USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=19 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 19 SER OG : rot 180:sc= 0.0195 USER MOD Set 1.2: A 66 TYR OH : rot -122:sc= -2.91! USER MOD Set 1.3: A 70 MET CE :methyl -172:sc= -5.12! (180deg=-4.53!) USER MOD Single : A 11 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.0017) USER MOD Single : A 14 GLN : amide:sc= -0.699 K(o=-0.7,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.0349 X(o=-0.035,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -170:sc= -3.89! (180deg=-4.61!) USER MOD Single : A 26 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0147) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 150:sc= -0.0536 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -123:sc= -1.78! (180deg=-5.34!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 160:sc= -3.05! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 67:sc= 0.065 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 30:sc= -0.0897 USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00404) USER MOD Single : A 64 ASN : amide:sc= -0.93 K(o=-0.93,f=-1.5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.258 X(o=0.26,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -4.39 X(o=-4.4,f=-4.5!) USER MOD Single : A 79 ASN : amide:sc= -2.55! C(o=-2.6!,f=-6.9!) USER MOD Single : A 83 LYS NZ :NH3+ -111:sc= -0.486 (180deg=-2.31!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 171:sc= -0.138 USER MOD Single : A 94 HIS : no HD1:sc= -0.756 X(o=-0.76,f=-0.84) USER MOD Single : A 98 MET CE :methyl 160:sc= -1.31 (180deg=-2.83!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 9 -8.291 16.032 2.261 1.00 0.00 N ATOM 78 CA ALA A 9 -7.182 15.274 1.694 1.00 0.00 C ATOM 79 C ALA A 9 -6.996 13.947 2.422 1.00 0.00 C ATOM 80 O ALA A 9 -6.789 12.908 1.795 1.00 0.00 O ATOM 81 CB ALA A 9 -5.901 16.092 1.749 1.00 0.00 C ATOM 0 HA ALA A 9 -7.417 15.057 0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.081 15.514 1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.032 17.012 1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.670 16.338 2.786 1.00 0.00 H new ATOM 87 N ASP A 10 -7.071 13.989 3.748 1.00 0.00 N ATOM 88 CA ASP A 10 -6.911 12.789 4.561 1.00 0.00 C ATOM 89 C ASP A 10 -7.923 11.721 4.159 1.00 0.00 C ATOM 90 O ASP A 10 -7.583 10.544 4.040 1.00 0.00 O ATOM 91 CB ASP A 10 -7.069 13.127 6.044 1.00 0.00 C ATOM 92 CG ASP A 10 -6.077 14.177 6.507 1.00 0.00 C ATOM 93 OD1 ASP A 10 -5.769 15.092 5.715 1.00 0.00 O ATOM 94 OD2 ASP A 10 -5.609 14.083 7.661 1.00 0.00 O ATOM 0 H ASP A 10 -7.242 14.841 4.282 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.909 12.396 4.391 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.083 13.483 6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.938 12.221 6.636 1.00 0.00 H new ATOM 99 N GLN A 11 -9.168 12.141 3.953 1.00 0.00 N ATOM 100 CA GLN A 11 -10.230 11.219 3.567 1.00 0.00 C ATOM 101 C GLN A 11 -9.840 10.432 2.320 1.00 0.00 C ATOM 102 O GLN A 11 -9.905 9.202 2.306 1.00 0.00 O ATOM 103 CB GLN A 11 -11.531 11.984 3.316 1.00 0.00 C ATOM 104 CG GLN A 11 -12.049 12.721 4.540 1.00 0.00 C ATOM 105 CD GLN A 11 -12.697 11.793 5.549 1.00 0.00 C ATOM 106 OE1 GLN A 11 -13.921 11.667 5.597 1.00 0.00 O ATOM 107 NE2 GLN A 11 -11.878 11.136 6.362 1.00 0.00 N ATOM 0 H GLN A 11 -9.465 13.112 4.047 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.382 10.515 4.385 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.371 12.701 2.511 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.294 11.285 2.973 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.224 13.251 5.017 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -12.773 13.474 4.227 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.870 11.270 6.288 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -12.257 10.497 7.061 1.00 0.00 H new ATOM 116 N ILE A 12 -9.437 11.148 1.276 1.00 0.00 N ATOM 117 CA ILE A 12 -9.037 10.515 0.025 1.00 0.00 C ATOM 118 C ILE A 12 -8.067 9.366 0.276 1.00 0.00 C ATOM 119 O ILE A 12 -8.328 8.226 -0.106 1.00 0.00 O ATOM 120 CB ILE A 12 -8.380 11.527 -0.933 1.00 0.00 C ATOM 121 CG1 ILE A 12 -9.339 12.684 -1.223 1.00 0.00 C ATOM 122 CG2 ILE A 12 -7.964 10.840 -2.224 1.00 0.00 C ATOM 123 CD1 ILE A 12 -8.654 13.908 -1.789 1.00 0.00 C ATOM 0 H ILE A 12 -9.379 12.166 1.271 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.945 10.127 -0.437 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.487 11.931 -0.456 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.101 12.346 -1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.854 12.959 -0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.501 11.568 -2.891 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.250 10.047 -2.001 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.842 10.412 -2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.394 14.688 -1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.911 14.271 -1.078 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.163 13.649 -2.727 1.00 0.00 H new ATOM 135 N ARG A 13 -6.947 9.675 0.923 1.00 0.00 N ATOM 136 CA ARG A 13 -5.938 8.668 1.226 1.00 0.00 C ATOM 137 C ARG A 13 -6.521 7.558 2.096 1.00 0.00 C ATOM 138 O ARG A 13 -6.434 6.379 1.754 1.00 0.00 O ATOM 139 CB ARG A 13 -4.743 9.309 1.933 1.00 0.00 C ATOM 140 CG ARG A 13 -4.198 10.535 1.217 1.00 0.00 C ATOM 141 CD ARG A 13 -2.961 11.082 1.913 1.00 0.00 C ATOM 142 NE ARG A 13 -3.301 12.052 2.950 1.00 0.00 N ATOM 143 CZ ARG A 13 -2.430 12.509 3.842 1.00 0.00 C ATOM 144 NH1 ARG A 13 -1.173 12.087 3.823 1.00 0.00 N ATOM 145 NH2 ARG A 13 -2.815 13.391 4.756 1.00 0.00 N ATOM 0 H ARG A 13 -6.716 10.614 1.247 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.604 8.231 0.285 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.038 9.590 2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.948 8.570 2.027 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.953 10.277 0.187 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.967 11.307 1.178 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.401 10.259 2.356 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.309 11.552 1.177 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.260 12.397 2.991 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.873 11.410 3.122 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.506 12.440 4.509 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.781 13.718 4.774 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.145 13.741 5.441 1.00 0.00 H new ATOM 159 N GLN A 14 -7.115 7.945 3.220 1.00 0.00 N ATOM 160 CA GLN A 14 -7.711 6.982 4.139 1.00 0.00 C ATOM 161 C GLN A 14 -8.559 5.963 3.385 1.00 0.00 C ATOM 162 O GLN A 14 -8.434 4.757 3.598 1.00 0.00 O ATOM 163 CB GLN A 14 -8.565 7.703 5.183 1.00 0.00 C ATOM 164 CG GLN A 14 -8.651 6.969 6.511 1.00 0.00 C ATOM 165 CD GLN A 14 -7.519 7.333 7.452 1.00 0.00 C ATOM 166 OE1 GLN A 14 -7.642 8.250 8.264 1.00 0.00 O ATOM 167 NE2 GLN A 14 -6.408 6.613 7.348 1.00 0.00 N ATOM 0 H GLN A 14 -7.196 8.918 3.516 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.904 6.452 4.644 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.153 8.698 5.353 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.571 7.838 4.786 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.604 7.199 6.988 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.637 5.894 6.330 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -6.350 5.862 6.661 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.613 6.811 7.956 1.00 0.00 H new ATOM 176 N SER A 15 -9.424 6.457 2.504 1.00 0.00 N ATOM 177 CA SER A 15 -10.296 5.590 1.721 1.00 0.00 C ATOM 178 C SER A 15 -9.485 4.542 0.965 1.00 0.00 C ATOM 179 O SER A 15 -9.813 3.356 0.980 1.00 0.00 O ATOM 180 CB SER A 15 -11.125 6.418 0.738 1.00 0.00 C ATOM 181 OG SER A 15 -12.281 5.711 0.323 1.00 0.00 O ATOM 0 H SER A 15 -9.539 7.453 2.315 1.00 0.00 H new ATOM 0 HA SER A 15 -10.968 5.076 2.408 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.418 7.358 1.206 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.518 6.671 -0.131 1.00 0.00 H new ATOM 0 HG SER A 15 -12.794 6.263 -0.303 1.00 0.00 H new ATOM 187 N VAL A 16 -8.423 4.991 0.303 1.00 0.00 N ATOM 188 CA VAL A 16 -7.563 4.094 -0.460 1.00 0.00 C ATOM 189 C VAL A 16 -7.255 2.825 0.329 1.00 0.00 C ATOM 190 O VAL A 16 -7.338 1.717 -0.201 1.00 0.00 O ATOM 191 CB VAL A 16 -6.238 4.779 -0.845 1.00 0.00 C ATOM 192 CG1 VAL A 16 -5.294 3.785 -1.504 1.00 0.00 C ATOM 193 CG2 VAL A 16 -6.500 5.966 -1.761 1.00 0.00 C ATOM 0 H VAL A 16 -8.138 5.970 0.280 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.106 3.832 -1.368 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.762 5.147 0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.364 4.287 -1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.082 2.970 -0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.759 3.384 -2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.554 6.439 -2.024 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.998 5.623 -2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.136 6.688 -1.248 1.00 0.00 H new ATOM 203 N ARG A 17 -6.899 2.996 1.598 1.00 0.00 N ATOM 204 CA ARG A 17 -6.578 1.865 2.460 1.00 0.00 C ATOM 205 C ARG A 17 -7.625 0.763 2.324 1.00 0.00 C ATOM 206 O ARG A 17 -7.304 -0.373 1.975 1.00 0.00 O ATOM 207 CB ARG A 17 -6.485 2.318 3.918 1.00 0.00 C ATOM 208 CG ARG A 17 -5.319 3.253 4.192 1.00 0.00 C ATOM 209 CD ARG A 17 -5.101 3.449 5.684 1.00 0.00 C ATOM 210 NE ARG A 17 -5.235 2.198 6.426 1.00 0.00 N ATOM 211 CZ ARG A 17 -5.552 2.138 7.715 1.00 0.00 C ATOM 212 NH1 ARG A 17 -5.767 3.253 8.401 1.00 0.00 N ATOM 213 NH2 ARG A 17 -5.655 0.962 8.320 1.00 0.00 N ATOM 0 H ARG A 17 -6.826 3.907 2.052 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.613 1.466 2.149 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.413 2.818 4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.394 1.440 4.557 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.413 2.848 3.741 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.506 4.218 3.721 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.108 3.866 5.854 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.821 4.174 6.063 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.077 1.322 5.927 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.689 4.159 7.939 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.010 3.204 9.390 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.491 0.103 7.796 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.898 0.917 9.310 1.00 0.00 H new ATOM 227 N HIS A 18 -8.879 1.108 2.602 1.00 0.00 N ATOM 228 CA HIS A 18 -9.973 0.148 2.510 1.00 0.00 C ATOM 229 C HIS A 18 -10.006 -0.509 1.134 1.00 0.00 C ATOM 230 O HIS A 18 -9.840 -1.723 1.010 1.00 0.00 O ATOM 231 CB HIS A 18 -11.309 0.838 2.791 1.00 0.00 C ATOM 232 CG HIS A 18 -12.428 -0.117 3.074 1.00 0.00 C ATOM 233 ND1 HIS A 18 -13.712 0.070 2.608 1.00 0.00 N ATOM 234 CD2 HIS A 18 -12.449 -1.272 3.779 1.00 0.00 C ATOM 235 CE1 HIS A 18 -14.475 -0.929 3.015 1.00 0.00 C ATOM 236 NE2 HIS A 18 -13.733 -1.757 3.727 1.00 0.00 N ATOM 0 H HIS A 18 -9.162 2.044 2.892 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.808 -0.627 3.258 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.190 1.509 3.642 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.577 1.455 1.934 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -11.612 -1.727 4.288 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -15.527 -1.048 2.802 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.060 -2.617 4.167 1.00 0.00 H new ATOM 245 N SER A 19 -10.223 0.300 0.102 1.00 0.00 N ATOM 246 CA SER A 19 -10.282 -0.203 -1.265 1.00 0.00 C ATOM 247 C SER A 19 -9.280 -1.334 -1.472 1.00 0.00 C ATOM 248 O SER A 19 -9.641 -2.428 -1.909 1.00 0.00 O ATOM 249 CB SER A 19 -10.006 0.926 -2.260 1.00 0.00 C ATOM 250 OG SER A 19 -10.697 2.108 -1.894 1.00 0.00 O ATOM 0 H SER A 19 -10.361 1.307 0.187 1.00 0.00 H new ATOM 0 HA SER A 19 -11.285 -0.593 -1.438 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.935 1.125 -2.301 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.312 0.617 -3.260 1.00 0.00 H new ATOM 0 HG SER A 19 -10.501 2.816 -2.543 1.00 0.00 H new ATOM 256 N LEU A 20 -8.018 -1.064 -1.154 1.00 0.00 N ATOM 257 CA LEU A 20 -6.961 -2.058 -1.304 1.00 0.00 C ATOM 258 C LEU A 20 -7.283 -3.319 -0.509 1.00 0.00 C ATOM 259 O LEU A 20 -7.455 -4.398 -1.077 1.00 0.00 O ATOM 260 CB LEU A 20 -5.622 -1.480 -0.845 1.00 0.00 C ATOM 261 CG LEU A 20 -5.015 -0.399 -1.741 1.00 0.00 C ATOM 262 CD1 LEU A 20 -3.911 0.345 -1.006 1.00 0.00 C ATOM 263 CD2 LEU A 20 -4.483 -1.010 -3.029 1.00 0.00 C ATOM 0 H LEU A 20 -7.702 -0.165 -0.791 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.893 -2.323 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.752 -1.065 0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.906 -2.298 -0.760 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.798 0.315 -1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.491 1.110 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.322 0.816 -0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.128 -0.357 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.055 -0.226 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.714 -1.746 -2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.298 -1.496 -3.565 1.00 0.00 H new ATOM 275 N LYS A 21 -7.366 -3.176 0.810 1.00 0.00 N ATOM 276 CA LYS A 21 -7.671 -4.302 1.684 1.00 0.00 C ATOM 277 C LYS A 21 -8.814 -5.137 1.117 1.00 0.00 C ATOM 278 O LYS A 21 -8.830 -6.360 1.258 1.00 0.00 O ATOM 279 CB LYS A 21 -8.036 -3.802 3.084 1.00 0.00 C ATOM 280 CG LYS A 21 -8.030 -4.894 4.140 1.00 0.00 C ATOM 281 CD LYS A 21 -8.101 -4.313 5.543 1.00 0.00 C ATOM 282 CE LYS A 21 -9.456 -3.678 5.815 1.00 0.00 C ATOM 283 NZ LYS A 21 -9.573 -3.202 7.221 1.00 0.00 N ATOM 0 H LYS A 21 -7.226 -2.291 1.297 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.783 -4.931 1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.334 -3.021 3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.025 -3.345 3.051 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.876 -5.562 3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.126 -5.494 4.039 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.913 -5.100 6.274 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.316 -3.567 5.669 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.608 -2.840 5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.244 -4.402 5.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.510 -2.776 7.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.453 -4.005 7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.837 -2.492 7.410 1.00 0.00 H new ATOM 297 N ASP A 22 -9.767 -4.470 0.475 1.00 0.00 N ATOM 298 CA ASP A 22 -10.912 -5.152 -0.115 1.00 0.00 C ATOM 299 C ASP A 22 -10.459 -6.197 -1.130 1.00 0.00 C ATOM 300 O ASP A 22 -10.825 -7.369 -1.034 1.00 0.00 O ATOM 301 CB ASP A 22 -11.843 -4.142 -0.787 1.00 0.00 C ATOM 302 CG ASP A 22 -13.277 -4.631 -0.855 1.00 0.00 C ATOM 303 OD1 ASP A 22 -13.620 -5.327 -1.833 1.00 0.00 O ATOM 304 OD2 ASP A 22 -14.055 -4.317 0.070 1.00 0.00 O ATOM 0 H ASP A 22 -9.769 -3.458 0.350 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.453 -5.658 0.684 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.809 -3.200 -0.239 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.484 -3.937 -1.796 1.00 0.00 H new ATOM 309 N ILE A 23 -9.661 -5.765 -2.101 1.00 0.00 N ATOM 310 CA ILE A 23 -9.158 -6.664 -3.132 1.00 0.00 C ATOM 311 C ILE A 23 -8.351 -7.804 -2.522 1.00 0.00 C ATOM 312 O ILE A 23 -8.752 -8.967 -2.585 1.00 0.00 O ATOM 313 CB ILE A 23 -8.280 -5.915 -4.152 1.00 0.00 C ATOM 314 CG1 ILE A 23 -9.150 -5.071 -5.086 1.00 0.00 C ATOM 315 CG2 ILE A 23 -7.437 -6.899 -4.949 1.00 0.00 C ATOM 316 CD1 ILE A 23 -8.359 -4.101 -5.935 1.00 0.00 C ATOM 0 H ILE A 23 -9.349 -4.798 -2.195 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.028 -7.074 -3.646 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.609 -5.248 -3.610 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.717 -5.734 -5.739 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.874 -4.514 -4.491 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.822 -6.354 -5.666 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.794 -7.460 -4.271 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.090 -7.589 -5.483 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.040 -3.536 -6.572 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.813 -3.414 -5.289 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.654 -4.653 -6.557 1.00 0.00 H new ATOM 328 N LEU A 24 -7.212 -7.463 -1.929 1.00 0.00 N ATOM 329 CA LEU A 24 -6.347 -8.458 -1.305 1.00 0.00 C ATOM 330 C LEU A 24 -7.151 -9.389 -0.402 1.00 0.00 C ATOM 331 O LEU A 24 -6.858 -10.580 -0.305 1.00 0.00 O ATOM 332 CB LEU A 24 -5.246 -7.770 -0.495 1.00 0.00 C ATOM 333 CG LEU A 24 -4.358 -6.793 -1.266 1.00 0.00 C ATOM 334 CD1 LEU A 24 -3.579 -5.908 -0.305 1.00 0.00 C ATOM 335 CD2 LEU A 24 -3.410 -7.546 -2.188 1.00 0.00 C ATOM 0 H LEU A 24 -6.866 -6.505 -1.867 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.890 -9.053 -2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.712 -7.232 0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.610 -8.539 -0.056 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.997 -6.156 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.952 -5.219 -0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.275 -5.341 0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.950 -6.529 0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.786 -6.834 -2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.777 -8.208 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.987 -8.136 -2.900 1.00 0.00 H new ATOM 347 N MET A 25 -8.167 -8.837 0.253 1.00 0.00 N ATOM 348 CA MET A 25 -9.015 -9.619 1.145 1.00 0.00 C ATOM 349 C MET A 25 -9.662 -10.781 0.398 1.00 0.00 C ATOM 350 O MET A 25 -9.861 -11.859 0.959 1.00 0.00 O ATOM 351 CB MET A 25 -10.096 -8.731 1.764 1.00 0.00 C ATOM 352 CG MET A 25 -9.674 -8.085 3.074 1.00 0.00 C ATOM 353 SD MET A 25 -10.076 -9.100 4.510 1.00 0.00 S ATOM 354 CE MET A 25 -8.437 -9.513 5.102 1.00 0.00 C ATOM 0 H MET A 25 -8.423 -7.852 0.183 1.00 0.00 H new ATOM 0 HA MET A 25 -8.389 -10.024 1.940 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.364 -7.950 1.053 1.00 0.00 H new ATOM 0 HB3 MET A 25 -10.992 -9.328 1.935 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.600 -7.900 3.054 1.00 0.00 H new ATOM 0 HG3 MET A 25 -10.163 -7.116 3.171 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.511 -10.278 5.875 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.836 -9.891 4.275 1.00 0.00 H new ATOM 0 HE3 MET A 25 -7.965 -8.622 5.517 1.00 0.00 H new ATOM 364 N LYS A 26 -9.990 -10.556 -0.870 1.00 0.00 N ATOM 365 CA LYS A 26 -10.614 -11.584 -1.694 1.00 0.00 C ATOM 366 C LYS A 26 -9.561 -12.389 -2.449 1.00 0.00 C ATOM 367 O LYS A 26 -9.766 -13.564 -2.754 1.00 0.00 O ATOM 368 CB LYS A 26 -11.592 -10.948 -2.685 1.00 0.00 C ATOM 369 CG LYS A 26 -11.941 -11.849 -3.857 1.00 0.00 C ATOM 370 CD LYS A 26 -10.962 -11.673 -5.006 1.00 0.00 C ATOM 371 CE LYS A 26 -11.400 -10.560 -5.946 1.00 0.00 C ATOM 372 NZ LYS A 26 -12.507 -10.994 -6.842 1.00 0.00 N ATOM 0 H LYS A 26 -9.834 -9.669 -1.350 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.160 -12.260 -1.036 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.508 -10.680 -2.158 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.161 -10.022 -3.065 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.938 -12.889 -3.531 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.951 -11.626 -4.201 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.972 -11.448 -4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.879 -12.608 -5.561 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.722 -9.698 -5.362 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.550 -10.238 -6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.697 -10.251 -7.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.235 -11.871 -7.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.364 -11.164 -6.278 1.00 0.00 H new ATOM 386 N ARG A 27 -8.434 -11.751 -2.745 1.00 0.00 N ATOM 387 CA ARG A 27 -7.349 -12.408 -3.464 1.00 0.00 C ATOM 388 C ARG A 27 -6.580 -13.351 -2.543 1.00 0.00 C ATOM 389 O ARG A 27 -5.893 -14.263 -3.004 1.00 0.00 O ATOM 390 CB ARG A 27 -6.397 -11.368 -4.057 1.00 0.00 C ATOM 391 CG ARG A 27 -7.085 -10.359 -4.962 1.00 0.00 C ATOM 392 CD ARG A 27 -7.703 -11.032 -6.178 1.00 0.00 C ATOM 393 NE ARG A 27 -6.689 -11.522 -7.107 1.00 0.00 N ATOM 394 CZ ARG A 27 -6.974 -12.086 -8.275 1.00 0.00 C ATOM 395 NH1 ARG A 27 -8.237 -12.230 -8.655 1.00 0.00 N ATOM 396 NH2 ARG A 27 -5.996 -12.508 -9.066 1.00 0.00 N ATOM 0 H ARG A 27 -8.248 -10.779 -2.498 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.785 -12.993 -4.273 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.902 -10.836 -3.245 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.619 -11.881 -4.623 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.859 -9.835 -4.402 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.364 -9.609 -5.287 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.329 -11.863 -5.853 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.354 -10.325 -6.692 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.708 -11.426 -6.845 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.992 -11.907 -8.050 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.453 -12.664 -9.553 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.024 -12.399 -8.777 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.216 -12.941 -9.963 1.00 0.00 H new ATOM 410 N LEU A 28 -6.700 -13.124 -1.240 1.00 0.00 N ATOM 411 CA LEU A 28 -6.015 -13.953 -0.253 1.00 0.00 C ATOM 412 C LEU A 28 -6.924 -15.075 0.240 1.00 0.00 C ATOM 413 O LEU A 28 -6.471 -16.193 0.485 1.00 0.00 O ATOM 414 CB LEU A 28 -5.555 -13.098 0.929 1.00 0.00 C ATOM 415 CG LEU A 28 -6.573 -12.901 2.052 1.00 0.00 C ATOM 416 CD1 LEU A 28 -6.658 -14.147 2.920 1.00 0.00 C ATOM 417 CD2 LEU A 28 -6.211 -11.686 2.894 1.00 0.00 C ATOM 0 H LEU A 28 -7.265 -12.374 -0.842 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.143 -14.400 -0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.660 -13.552 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.266 -12.117 0.551 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.551 -12.728 1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.388 -13.988 3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.966 -14.996 2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.682 -14.351 3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.947 -11.562 3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.224 -11.829 3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.203 -10.796 2.264 1.00 0.00 H new ATOM 429 N THR A 29 -8.210 -14.769 0.382 1.00 0.00 N ATOM 430 CA THR A 29 -9.182 -15.751 0.844 1.00 0.00 C ATOM 431 C THR A 29 -9.393 -16.847 -0.194 1.00 0.00 C ATOM 432 O THR A 29 -9.680 -17.994 0.150 1.00 0.00 O ATOM 433 CB THR A 29 -10.538 -15.093 1.162 1.00 0.00 C ATOM 434 OG1 THR A 29 -11.343 -15.982 1.943 1.00 0.00 O ATOM 435 CG2 THR A 29 -11.274 -14.726 -0.118 1.00 0.00 C ATOM 0 H THR A 29 -8.602 -13.849 0.183 1.00 0.00 H new ATOM 0 HA THR A 29 -8.777 -16.191 1.755 1.00 0.00 H new ATOM 0 HB THR A 29 -10.351 -14.181 1.729 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.203 -15.555 2.142 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.229 -14.263 0.131 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.671 -14.026 -0.696 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.450 -15.626 -0.707 1.00 0.00 H new ATOM 443 N ASP A 30 -9.247 -16.488 -1.464 1.00 0.00 N ATOM 444 CA ASP A 30 -9.420 -17.442 -2.554 1.00 0.00 C ATOM 445 C ASP A 30 -8.141 -18.242 -2.783 1.00 0.00 C ATOM 446 O ASP A 30 -8.189 -19.433 -3.088 1.00 0.00 O ATOM 447 CB ASP A 30 -9.819 -16.715 -3.839 1.00 0.00 C ATOM 448 CG ASP A 30 -8.618 -16.285 -4.658 1.00 0.00 C ATOM 449 OD1 ASP A 30 -7.948 -17.167 -5.235 1.00 0.00 O ATOM 450 OD2 ASP A 30 -8.347 -15.067 -4.721 1.00 0.00 O ATOM 0 H ASP A 30 -9.009 -15.543 -1.765 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.215 -18.134 -2.276 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.451 -17.368 -4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.416 -15.838 -3.587 1.00 0.00 H new ATOM 455 N SER A 31 -6.999 -17.578 -2.635 1.00 0.00 N ATOM 456 CA SER A 31 -5.708 -18.226 -2.831 1.00 0.00 C ATOM 457 C SER A 31 -5.337 -19.077 -1.620 1.00 0.00 C ATOM 458 O SER A 31 -5.997 -19.020 -0.583 1.00 0.00 O ATOM 459 CB SER A 31 -4.622 -17.179 -3.084 1.00 0.00 C ATOM 460 OG SER A 31 -3.423 -17.786 -3.536 1.00 0.00 O ATOM 0 H SER A 31 -6.942 -16.592 -2.380 1.00 0.00 H new ATOM 0 HA SER A 31 -5.785 -18.878 -3.701 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.971 -16.460 -3.825 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.428 -16.623 -2.167 1.00 0.00 H new ATOM 0 HG SER A 31 -2.943 -17.165 -4.122 1.00 0.00 H new ATOM 466 N ASN A 32 -4.276 -19.865 -1.760 1.00 0.00 N ATOM 467 CA ASN A 32 -3.817 -20.728 -0.679 1.00 0.00 C ATOM 468 C ASN A 32 -2.877 -19.975 0.257 1.00 0.00 C ATOM 469 O ASN A 32 -1.788 -20.453 0.577 1.00 0.00 O ATOM 470 CB ASN A 32 -3.110 -21.961 -1.247 1.00 0.00 C ATOM 471 CG ASN A 32 -4.071 -23.099 -1.532 1.00 0.00 C ATOM 472 OD1 ASN A 32 -5.103 -22.909 -2.175 1.00 0.00 O ATOM 473 ND2 ASN A 32 -3.736 -24.290 -1.051 1.00 0.00 N ATOM 0 H ASN A 32 -3.718 -19.923 -2.612 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.689 -21.048 -0.109 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -2.592 -21.688 -2.166 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -2.351 -22.298 -0.541 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.344 -25.093 -1.209 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.870 -24.402 -0.523 1.00 0.00 H new ATOM 480 N LEU A 33 -3.305 -18.796 0.693 1.00 0.00 N ATOM 481 CA LEU A 33 -2.502 -17.976 1.594 1.00 0.00 C ATOM 482 C LEU A 33 -2.893 -18.220 3.047 1.00 0.00 C ATOM 483 O LEU A 33 -2.098 -18.729 3.839 1.00 0.00 O ATOM 484 CB LEU A 33 -2.669 -16.494 1.251 1.00 0.00 C ATOM 485 CG LEU A 33 -1.714 -15.937 0.195 1.00 0.00 C ATOM 486 CD1 LEU A 33 -2.052 -14.489 -0.120 1.00 0.00 C ATOM 487 CD2 LEU A 33 -0.271 -16.060 0.664 1.00 0.00 C ATOM 0 H LEU A 33 -4.203 -18.386 0.438 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.457 -18.257 1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.691 -16.334 0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.545 -15.914 2.166 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.830 -16.522 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.362 -14.110 -0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.072 -14.428 -0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.965 -13.890 0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.395 -15.659 -0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.140 -15.500 1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.033 -17.109 0.838 1.00 0.00 H new ATOM 499 N LYS A 34 -4.123 -17.858 3.393 1.00 0.00 N ATOM 500 CA LYS A 34 -4.623 -18.040 4.751 1.00 0.00 C ATOM 501 C LYS A 34 -3.944 -17.073 5.715 1.00 0.00 C ATOM 502 O LYS A 34 -3.576 -17.447 6.829 1.00 0.00 O ATOM 503 CB LYS A 34 -4.392 -19.482 5.211 1.00 0.00 C ATOM 504 CG LYS A 34 -5.315 -19.915 6.337 1.00 0.00 C ATOM 505 CD LYS A 34 -6.706 -20.247 5.821 1.00 0.00 C ATOM 506 CE LYS A 34 -6.741 -21.610 5.148 1.00 0.00 C ATOM 507 NZ LYS A 34 -7.865 -21.722 4.178 1.00 0.00 N ATOM 0 H LYS A 34 -4.794 -17.436 2.751 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.693 -17.832 4.749 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.529 -20.152 4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.358 -19.589 5.538 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.894 -20.786 6.839 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.382 -19.120 7.080 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.415 -20.230 6.648 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.024 -19.482 5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.797 -21.784 4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.837 -22.387 5.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.854 -22.666 3.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.768 -21.581 4.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.760 -20.997 3.440 1.00 0.00 H new ATOM 521 N VAL A 35 -3.783 -15.827 5.281 1.00 0.00 N ATOM 522 CA VAL A 35 -3.151 -14.805 6.106 1.00 0.00 C ATOM 523 C VAL A 35 -4.188 -14.029 6.911 1.00 0.00 C ATOM 524 O VAL A 35 -5.345 -13.894 6.512 1.00 0.00 O ATOM 525 CB VAL A 35 -2.336 -13.816 5.251 1.00 0.00 C ATOM 526 CG1 VAL A 35 -1.190 -14.532 4.552 1.00 0.00 C ATOM 527 CG2 VAL A 35 -3.236 -13.121 4.240 1.00 0.00 C ATOM 0 H VAL A 35 -4.082 -15.501 4.362 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.478 -15.323 6.789 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.911 -13.058 5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.626 -13.817 3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.532 -14.980 5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.590 -15.313 3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.645 -12.426 3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.690 -13.865 3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.019 -12.574 4.765 1.00 0.00 H new ATOM 537 N PRO A 36 -3.766 -13.506 8.071 1.00 0.00 N ATOM 538 CA PRO A 36 -4.643 -12.734 8.956 1.00 0.00 C ATOM 539 C PRO A 36 -5.013 -11.377 8.366 1.00 0.00 C ATOM 540 O PRO A 36 -4.178 -10.707 7.759 1.00 0.00 O ATOM 541 CB PRO A 36 -3.801 -12.555 10.222 1.00 0.00 C ATOM 542 CG PRO A 36 -2.389 -12.655 9.755 1.00 0.00 C ATOM 543 CD PRO A 36 -2.401 -13.628 8.609 1.00 0.00 C ATOM 0 HA PRO A 36 -5.594 -13.238 9.128 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.995 -11.592 10.693 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -4.029 -13.323 10.961 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -2.013 -11.682 9.437 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.737 -13.003 10.556 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.650 -13.376 7.860 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.190 -14.644 8.943 1.00 0.00 H new ATOM 551 N GLU A 37 -6.268 -10.979 8.550 1.00 0.00 N ATOM 552 CA GLU A 37 -6.746 -9.702 8.034 1.00 0.00 C ATOM 553 C GLU A 37 -5.714 -8.602 8.263 1.00 0.00 C ATOM 554 O GLU A 37 -5.598 -7.671 7.466 1.00 0.00 O ATOM 555 CB GLU A 37 -8.070 -9.321 8.701 1.00 0.00 C ATOM 556 CG GLU A 37 -8.716 -8.080 8.108 1.00 0.00 C ATOM 557 CD GLU A 37 -9.574 -7.333 9.110 1.00 0.00 C ATOM 558 OE1 GLU A 37 -9.233 -7.351 10.311 1.00 0.00 O ATOM 559 OE2 GLU A 37 -10.586 -6.732 8.694 1.00 0.00 O ATOM 0 H GLU A 37 -6.971 -11.522 9.052 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.905 -9.809 6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.764 -10.157 8.616 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.897 -9.157 9.765 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.939 -7.414 7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.329 -8.367 7.253 1.00 0.00 H new ATOM 566 N GLU A 38 -4.968 -8.716 9.357 1.00 0.00 N ATOM 567 CA GLU A 38 -3.947 -7.730 9.692 1.00 0.00 C ATOM 568 C GLU A 38 -2.967 -7.549 8.536 1.00 0.00 C ATOM 569 O GLU A 38 -2.593 -6.427 8.194 1.00 0.00 O ATOM 570 CB GLU A 38 -3.192 -8.153 10.954 1.00 0.00 C ATOM 571 CG GLU A 38 -2.679 -6.984 11.777 1.00 0.00 C ATOM 572 CD GLU A 38 -3.697 -6.489 12.786 1.00 0.00 C ATOM 573 OE1 GLU A 38 -4.264 -7.327 13.517 1.00 0.00 O ATOM 574 OE2 GLU A 38 -3.926 -5.263 12.844 1.00 0.00 O ATOM 0 H GLU A 38 -5.051 -9.481 10.026 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.444 -6.778 9.877 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.850 -8.762 11.574 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.350 -8.783 10.669 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.771 -7.284 12.300 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.407 -6.166 11.110 1.00 0.00 H new ATOM 581 N LYS A 39 -2.554 -8.662 7.939 1.00 0.00 N ATOM 582 CA LYS A 39 -1.618 -8.628 6.821 1.00 0.00 C ATOM 583 C LYS A 39 -2.052 -7.604 5.778 1.00 0.00 C ATOM 584 O LYS A 39 -1.406 -6.571 5.601 1.00 0.00 O ATOM 585 CB LYS A 39 -1.510 -10.013 6.178 1.00 0.00 C ATOM 586 CG LYS A 39 -0.723 -10.020 4.879 1.00 0.00 C ATOM 587 CD LYS A 39 0.753 -10.286 5.121 1.00 0.00 C ATOM 588 CE LYS A 39 1.525 -8.992 5.330 1.00 0.00 C ATOM 589 NZ LYS A 39 1.586 -8.608 6.768 1.00 0.00 N ATOM 0 H LYS A 39 -2.853 -9.599 8.211 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.641 -8.335 7.206 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.037 -10.696 6.883 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.513 -10.395 5.988 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.126 -10.783 4.213 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.843 -9.061 4.375 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.870 -10.926 5.995 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.170 -10.827 4.272 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.537 -9.106 4.941 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.053 -8.192 4.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.187 -7.655 6.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.038 -9.288 7.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.576 -8.612 7.087 1.00 0.00 H new ATOM 603 N ALA A 40 -3.152 -7.896 5.091 1.00 0.00 N ATOM 604 CA ALA A 40 -3.674 -6.999 4.068 1.00 0.00 C ATOM 605 C ALA A 40 -3.715 -5.559 4.569 1.00 0.00 C ATOM 606 O ALA A 40 -3.077 -4.675 3.998 1.00 0.00 O ATOM 607 CB ALA A 40 -5.061 -7.447 3.631 1.00 0.00 C ATOM 0 H ALA A 40 -3.698 -8.747 5.225 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.004 -7.038 3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.439 -6.768 2.867 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.006 -8.457 3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.733 -7.438 4.489 1.00 0.00 H new ATOM 613 N ALA A 41 -4.468 -5.331 5.640 1.00 0.00 N ATOM 614 CA ALA A 41 -4.591 -3.999 6.218 1.00 0.00 C ATOM 615 C ALA A 41 -3.227 -3.327 6.342 1.00 0.00 C ATOM 616 O ALA A 41 -2.957 -2.322 5.684 1.00 0.00 O ATOM 617 CB ALA A 41 -5.269 -4.074 7.578 1.00 0.00 C ATOM 0 H ALA A 41 -5.002 -6.052 6.125 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.206 -3.396 5.550 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.354 -3.072 7.998 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.263 -4.506 7.465 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.676 -4.698 8.246 1.00 0.00 H new ATOM 623 N LYS A 42 -2.371 -3.887 7.189 1.00 0.00 N ATOM 624 CA LYS A 42 -1.035 -3.343 7.400 1.00 0.00 C ATOM 625 C LYS A 42 -0.414 -2.900 6.079 1.00 0.00 C ATOM 626 O LYS A 42 0.021 -1.757 5.938 1.00 0.00 O ATOM 627 CB LYS A 42 -0.138 -4.385 8.073 1.00 0.00 C ATOM 628 CG LYS A 42 -0.525 -4.681 9.511 1.00 0.00 C ATOM 629 CD LYS A 42 0.366 -5.752 10.119 1.00 0.00 C ATOM 630 CE LYS A 42 1.702 -5.177 10.565 1.00 0.00 C ATOM 631 NZ LYS A 42 1.593 -4.466 11.869 1.00 0.00 N ATOM 0 H LYS A 42 -2.579 -4.719 7.742 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.122 -2.473 8.051 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.175 -5.310 7.498 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.894 -4.035 8.048 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.454 -3.768 10.103 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.565 -5.006 9.549 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.139 -6.206 10.972 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.535 -6.544 9.389 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.433 -5.981 10.650 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.072 -4.488 9.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.524 -4.089 12.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.914 -3.683 11.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.264 -5.129 12.600 1.00 0.00 H new ATOM 645 N VAL A 43 -0.377 -3.812 5.112 1.00 0.00 N ATOM 646 CA VAL A 43 0.188 -3.514 3.801 1.00 0.00 C ATOM 647 C VAL A 43 -0.476 -2.290 3.182 1.00 0.00 C ATOM 648 O VAL A 43 0.188 -1.304 2.863 1.00 0.00 O ATOM 649 CB VAL A 43 0.038 -4.708 2.841 1.00 0.00 C ATOM 650 CG1 VAL A 43 0.303 -4.276 1.406 1.00 0.00 C ATOM 651 CG2 VAL A 43 0.970 -5.839 3.247 1.00 0.00 C ATOM 0 H VAL A 43 -0.732 -4.763 5.212 1.00 0.00 H new ATOM 0 HA VAL A 43 1.248 -3.310 3.952 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.987 -5.074 2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.192 -5.133 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.410 -3.502 1.121 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.317 -3.883 1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.850 -6.674 2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.002 -5.489 3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.727 -6.166 4.258 1.00 0.00 H new ATOM 661 N ALA A 44 -1.793 -2.360 3.013 1.00 0.00 N ATOM 662 CA ALA A 44 -2.549 -1.256 2.434 1.00 0.00 C ATOM 663 C ALA A 44 -2.161 0.071 3.076 1.00 0.00 C ATOM 664 O ALA A 44 -1.906 1.057 2.383 1.00 0.00 O ATOM 665 CB ALA A 44 -4.043 -1.502 2.587 1.00 0.00 C ATOM 0 H ALA A 44 -2.358 -3.170 3.269 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.308 -1.200 1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.595 -0.670 2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.314 -2.426 2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.291 -1.587 3.645 1.00 0.00 H new ATOM 671 N THR A 45 -2.119 0.091 4.405 1.00 0.00 N ATOM 672 CA THR A 45 -1.764 1.299 5.140 1.00 0.00 C ATOM 673 C THR A 45 -0.375 1.791 4.751 1.00 0.00 C ATOM 674 O THR A 45 -0.065 2.975 4.883 1.00 0.00 O ATOM 675 CB THR A 45 -1.805 1.062 6.661 1.00 0.00 C ATOM 676 OG1 THR A 45 -3.162 0.948 7.103 1.00 0.00 O ATOM 677 CG2 THR A 45 -1.118 2.198 7.404 1.00 0.00 C ATOM 0 H THR A 45 -2.326 -0.716 4.994 1.00 0.00 H new ATOM 0 HA THR A 45 -2.501 2.058 4.877 1.00 0.00 H new ATOM 0 HB THR A 45 -1.274 0.135 6.876 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.186 0.491 7.970 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.159 2.009 8.477 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.077 2.263 7.087 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.625 3.137 7.181 1.00 0.00 H new ATOM 685 N LYS A 46 0.459 0.876 4.268 1.00 0.00 N ATOM 686 CA LYS A 46 1.815 1.217 3.857 1.00 0.00 C ATOM 687 C LYS A 46 1.858 1.591 2.379 1.00 0.00 C ATOM 688 O LYS A 46 2.864 2.105 1.888 1.00 0.00 O ATOM 689 CB LYS A 46 2.761 0.044 4.125 1.00 0.00 C ATOM 690 CG LYS A 46 3.330 0.031 5.534 1.00 0.00 C ATOM 691 CD LYS A 46 4.066 -1.266 5.825 1.00 0.00 C ATOM 692 CE LYS A 46 3.102 -2.384 6.190 1.00 0.00 C ATOM 693 NZ LYS A 46 3.631 -3.721 5.801 1.00 0.00 N ATOM 0 H LYS A 46 0.219 -0.108 4.152 1.00 0.00 H new ATOM 0 HA LYS A 46 2.139 2.078 4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.227 -0.890 3.949 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.583 0.081 3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.010 0.873 5.661 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.523 0.162 6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.650 -1.558 4.952 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.770 -1.110 6.642 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.914 -2.366 7.264 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.145 -2.214 5.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.945 -4.456 6.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.786 -3.747 4.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.532 -3.894 6.292 1.00 0.00 H new ATOM 707 N ILE A 47 0.761 1.331 1.676 1.00 0.00 N ATOM 708 CA ILE A 47 0.674 1.643 0.255 1.00 0.00 C ATOM 709 C ILE A 47 0.537 3.145 0.029 1.00 0.00 C ATOM 710 O ILE A 47 1.190 3.713 -0.847 1.00 0.00 O ATOM 711 CB ILE A 47 -0.518 0.926 -0.407 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.374 -0.590 -0.261 1.00 0.00 C ATOM 713 CG2 ILE A 47 -0.622 1.315 -1.874 1.00 0.00 C ATOM 714 CD1 ILE A 47 0.907 -1.135 -0.853 1.00 0.00 C ATOM 0 H ILE A 47 -0.079 0.905 2.067 1.00 0.00 H new ATOM 0 HA ILE A 47 1.599 1.292 -0.202 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.434 1.235 0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.416 -0.851 0.797 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.223 -1.076 -0.743 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.469 0.800 -2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.766 2.392 -1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.295 1.032 -2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.942 -2.215 -0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.942 -0.906 -1.918 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.762 -0.677 -0.355 1.00 0.00 H new ATOM 726 N GLU A 48 -0.313 3.783 0.827 1.00 0.00 N ATOM 727 CA GLU A 48 -0.534 5.220 0.714 1.00 0.00 C ATOM 728 C GLU A 48 0.603 5.998 1.370 1.00 0.00 C ATOM 729 O GLU A 48 1.201 6.883 0.757 1.00 0.00 O ATOM 730 CB GLU A 48 -1.868 5.606 1.357 1.00 0.00 C ATOM 731 CG GLU A 48 -3.079 5.069 0.614 1.00 0.00 C ATOM 732 CD GLU A 48 -2.884 3.644 0.132 1.00 0.00 C ATOM 733 OE1 GLU A 48 -2.237 3.456 -0.919 1.00 0.00 O ATOM 734 OE2 GLU A 48 -3.377 2.717 0.808 1.00 0.00 O ATOM 0 H GLU A 48 -0.860 3.328 1.558 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.563 5.475 -0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.888 5.237 2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.936 6.693 1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.950 5.111 1.268 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.291 5.712 -0.241 1.00 0.00 H new ATOM 741 N LYS A 49 0.896 5.663 2.622 1.00 0.00 N ATOM 742 CA LYS A 49 1.961 6.328 3.364 1.00 0.00 C ATOM 743 C LYS A 49 3.143 6.644 2.452 1.00 0.00 C ATOM 744 O LYS A 49 3.772 7.694 2.579 1.00 0.00 O ATOM 745 CB LYS A 49 2.423 5.451 4.530 1.00 0.00 C ATOM 746 CG LYS A 49 3.510 4.460 4.153 1.00 0.00 C ATOM 747 CD LYS A 49 4.085 3.770 5.378 1.00 0.00 C ATOM 748 CE LYS A 49 5.462 3.189 5.096 1.00 0.00 C ATOM 749 NZ LYS A 49 6.219 2.920 6.350 1.00 0.00 N ATOM 0 H LYS A 49 0.410 4.934 3.145 1.00 0.00 H new ATOM 0 HA LYS A 49 1.566 7.265 3.757 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.789 6.091 5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.566 4.905 4.924 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.102 3.713 3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.306 4.978 3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.151 4.482 6.201 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.412 2.975 5.698 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.356 2.263 4.530 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.027 3.881 4.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.152 2.525 6.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.342 3.807 6.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.692 2.240 6.934 1.00 0.00 H new ATOM 763 N GLU A 50 3.438 5.728 1.535 1.00 0.00 N ATOM 764 CA GLU A 50 4.545 5.911 0.603 1.00 0.00 C ATOM 765 C GLU A 50 4.076 6.619 -0.666 1.00 0.00 C ATOM 766 O GLU A 50 4.841 7.344 -1.304 1.00 0.00 O ATOM 767 CB GLU A 50 5.168 4.561 0.245 1.00 0.00 C ATOM 768 CG GLU A 50 6.621 4.657 -0.190 1.00 0.00 C ATOM 769 CD GLU A 50 7.585 4.594 0.979 1.00 0.00 C ATOM 770 OE1 GLU A 50 7.178 4.122 2.060 1.00 0.00 O ATOM 771 OE2 GLU A 50 8.748 5.018 0.811 1.00 0.00 O ATOM 0 H GLU A 50 2.927 4.853 1.417 1.00 0.00 H new ATOM 0 HA GLU A 50 5.297 6.533 1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.099 3.898 1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.587 4.103 -0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.843 3.846 -0.883 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.773 5.590 -0.732 1.00 0.00 H new ATOM 778 N LEU A 51 2.816 6.404 -1.025 1.00 0.00 N ATOM 779 CA LEU A 51 2.244 7.020 -2.217 1.00 0.00 C ATOM 780 C LEU A 51 2.191 8.538 -2.073 1.00 0.00 C ATOM 781 O LEU A 51 2.808 9.267 -2.850 1.00 0.00 O ATOM 782 CB LEU A 51 0.840 6.471 -2.475 1.00 0.00 C ATOM 783 CG LEU A 51 0.334 6.571 -3.915 1.00 0.00 C ATOM 784 CD1 LEU A 51 0.881 5.425 -4.753 1.00 0.00 C ATOM 785 CD2 LEU A 51 -1.187 6.579 -3.947 1.00 0.00 C ATOM 0 H LEU A 51 2.170 5.807 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 51 2.884 6.776 -3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.821 5.423 -2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.140 7.000 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 51 0.691 7.509 -4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.511 5.512 -5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.970 5.465 -4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.554 4.476 -4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.529 6.651 -4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.565 5.658 -3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.558 7.434 -3.382 1.00 0.00 H new ATOM 797 N PHE A 52 1.451 9.007 -1.074 1.00 0.00 N ATOM 798 CA PHE A 52 1.318 10.438 -0.827 1.00 0.00 C ATOM 799 C PHE A 52 2.688 11.098 -0.704 1.00 0.00 C ATOM 800 O PHE A 52 2.884 12.233 -1.138 1.00 0.00 O ATOM 801 CB PHE A 52 0.504 10.684 0.445 1.00 0.00 C ATOM 802 CG PHE A 52 0.397 12.136 0.816 1.00 0.00 C ATOM 803 CD1 PHE A 52 -0.487 12.971 0.151 1.00 0.00 C ATOM 804 CD2 PHE A 52 1.180 12.665 1.828 1.00 0.00 C ATOM 805 CE1 PHE A 52 -0.589 14.307 0.490 1.00 0.00 C ATOM 806 CE2 PHE A 52 1.082 14.001 2.172 1.00 0.00 C ATOM 807 CZ PHE A 52 0.198 14.822 1.501 1.00 0.00 C ATOM 0 H PHE A 52 0.934 8.417 -0.422 1.00 0.00 H new ATOM 0 HA PHE A 52 0.796 10.881 -1.675 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.498 10.277 0.310 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.961 10.139 1.271 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.103 12.573 -0.641 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.875 12.027 2.354 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.283 14.947 -0.035 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.696 14.402 2.965 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.122 15.866 1.767 1.00 0.00 H new ATOM 817 N SER A 53 3.634 10.378 -0.109 1.00 0.00 N ATOM 818 CA SER A 53 4.985 10.894 0.077 1.00 0.00 C ATOM 819 C SER A 53 5.764 10.860 -1.235 1.00 0.00 C ATOM 820 O SER A 53 6.568 11.749 -1.516 1.00 0.00 O ATOM 821 CB SER A 53 5.722 10.082 1.143 1.00 0.00 C ATOM 822 OG SER A 53 7.110 10.372 1.136 1.00 0.00 O ATOM 0 H SER A 53 3.489 9.435 0.253 1.00 0.00 H new ATOM 0 HA SER A 53 4.910 11.930 0.408 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.306 10.304 2.126 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.569 9.018 0.965 1.00 0.00 H new ATOM 0 HG SER A 53 7.559 9.842 1.827 1.00 0.00 H new ATOM 828 N PHE A 54 5.520 9.826 -2.033 1.00 0.00 N ATOM 829 CA PHE A 54 6.199 9.673 -3.315 1.00 0.00 C ATOM 830 C PHE A 54 5.852 10.824 -4.255 1.00 0.00 C ATOM 831 O PHE A 54 6.734 11.529 -4.744 1.00 0.00 O ATOM 832 CB PHE A 54 5.820 8.340 -3.962 1.00 0.00 C ATOM 833 CG PHE A 54 6.476 8.111 -5.293 1.00 0.00 C ATOM 834 CD1 PHE A 54 7.784 7.661 -5.367 1.00 0.00 C ATOM 835 CD2 PHE A 54 5.784 8.345 -6.471 1.00 0.00 C ATOM 836 CE1 PHE A 54 8.390 7.450 -6.592 1.00 0.00 C ATOM 837 CE2 PHE A 54 6.385 8.136 -7.698 1.00 0.00 C ATOM 838 CZ PHE A 54 7.690 7.687 -7.758 1.00 0.00 C ATOM 0 H PHE A 54 4.858 9.082 -1.815 1.00 0.00 H new ATOM 0 HA PHE A 54 7.273 9.687 -3.132 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.092 7.528 -3.288 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.738 8.301 -4.088 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.336 7.473 -4.458 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.763 8.695 -6.430 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.411 7.100 -6.636 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.835 8.323 -8.608 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.162 7.522 -8.715 1.00 0.00 H new ATOM 848 N PHE A 55 4.559 11.008 -4.503 1.00 0.00 N ATOM 849 CA PHE A 55 4.093 12.071 -5.385 1.00 0.00 C ATOM 850 C PHE A 55 4.113 13.419 -4.670 1.00 0.00 C ATOM 851 O PHE A 55 4.454 14.443 -5.262 1.00 0.00 O ATOM 852 CB PHE A 55 2.679 11.767 -5.884 1.00 0.00 C ATOM 853 CG PHE A 55 2.626 10.656 -6.894 1.00 0.00 C ATOM 854 CD1 PHE A 55 3.175 10.822 -8.156 1.00 0.00 C ATOM 855 CD2 PHE A 55 2.027 9.446 -6.582 1.00 0.00 C ATOM 856 CE1 PHE A 55 3.129 9.802 -9.087 1.00 0.00 C ATOM 857 CE2 PHE A 55 1.978 8.423 -7.510 1.00 0.00 C ATOM 858 CZ PHE A 55 2.528 8.601 -8.764 1.00 0.00 C ATOM 0 H PHE A 55 3.815 10.434 -4.105 1.00 0.00 H new ATOM 0 HA PHE A 55 4.769 12.122 -6.239 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.051 11.504 -5.033 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.256 12.669 -6.326 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.644 11.760 -8.415 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.594 9.301 -5.603 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.562 9.944 -10.066 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.509 7.484 -7.254 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.488 7.803 -9.491 1.00 0.00 H new ATOM 868 N ARG A 56 3.745 13.410 -3.393 1.00 0.00 N ATOM 869 CA ARG A 56 3.718 14.631 -2.597 1.00 0.00 C ATOM 870 C ARG A 56 2.537 15.512 -2.992 1.00 0.00 C ATOM 871 O ARG A 56 2.602 16.737 -2.891 1.00 0.00 O ATOM 872 CB ARG A 56 5.026 15.405 -2.768 1.00 0.00 C ATOM 873 CG ARG A 56 5.402 16.241 -1.556 1.00 0.00 C ATOM 874 CD ARG A 56 6.521 17.219 -1.879 1.00 0.00 C ATOM 875 NE ARG A 56 6.610 18.294 -0.894 1.00 0.00 N ATOM 876 CZ ARG A 56 7.132 18.139 0.318 1.00 0.00 C ATOM 877 NH1 ARG A 56 7.610 16.961 0.692 1.00 0.00 N ATOM 878 NH2 ARG A 56 7.177 19.166 1.158 1.00 0.00 N ATOM 0 H ARG A 56 3.461 12.571 -2.888 1.00 0.00 H new ATOM 0 HA ARG A 56 3.604 14.350 -1.550 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.831 14.700 -2.976 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.941 16.058 -3.637 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.528 16.790 -1.206 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.714 15.585 -0.743 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.470 16.684 -1.918 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.355 17.646 -2.868 1.00 0.00 H new ATOM 0 HE ARG A 56 6.252 19.214 -1.151 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.578 16.170 0.049 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.010 16.845 1.623 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.811 20.074 0.873 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.578 19.047 2.088 1.00 0.00 H new ATOM 892 N ASP A 57 1.459 14.880 -3.444 1.00 0.00 N ATOM 893 CA ASP A 57 0.263 15.606 -3.854 1.00 0.00 C ATOM 894 C ASP A 57 -0.872 14.641 -4.185 1.00 0.00 C ATOM 895 O ASP A 57 -0.639 13.540 -4.683 1.00 0.00 O ATOM 896 CB ASP A 57 0.567 16.490 -5.065 1.00 0.00 C ATOM 897 CG ASP A 57 1.523 15.829 -6.038 1.00 0.00 C ATOM 898 OD1 ASP A 57 1.103 14.876 -6.728 1.00 0.00 O ATOM 899 OD2 ASP A 57 2.692 16.264 -6.110 1.00 0.00 O ATOM 0 H ASP A 57 1.389 13.867 -3.536 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.052 16.237 -3.023 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.364 16.729 -5.580 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.994 17.433 -4.725 1.00 0.00 H new ATOM 904 N THR A 58 -2.101 15.062 -3.903 1.00 0.00 N ATOM 905 CA THR A 58 -3.271 14.236 -4.167 1.00 0.00 C ATOM 906 C THR A 58 -3.974 14.671 -5.449 1.00 0.00 C ATOM 907 O THR A 58 -5.160 15.001 -5.436 1.00 0.00 O ATOM 908 CB THR A 58 -4.275 14.293 -3.001 1.00 0.00 C ATOM 909 OG1 THR A 58 -4.591 15.655 -2.692 1.00 0.00 O ATOM 910 CG2 THR A 58 -3.710 13.605 -1.767 1.00 0.00 C ATOM 0 H THR A 58 -2.311 15.971 -3.491 1.00 0.00 H new ATOM 0 HA THR A 58 -2.915 13.212 -4.280 1.00 0.00 H new ATOM 0 HB THR A 58 -5.182 13.771 -3.306 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.087 16.053 -3.438 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.437 13.658 -0.956 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.499 12.561 -1.997 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.790 14.103 -1.462 1.00 0.00 H new ATOM 918 N ASP A 59 -3.235 14.669 -6.552 1.00 0.00 N ATOM 919 CA ASP A 59 -3.787 15.063 -7.843 1.00 0.00 C ATOM 920 C ASP A 59 -4.013 13.844 -8.732 1.00 0.00 C ATOM 921 O ASP A 59 -3.741 12.712 -8.331 1.00 0.00 O ATOM 922 CB ASP A 59 -2.854 16.053 -8.542 1.00 0.00 C ATOM 923 CG ASP A 59 -2.802 17.395 -7.838 1.00 0.00 C ATOM 924 OD1 ASP A 59 -2.773 17.409 -6.590 1.00 0.00 O ATOM 925 OD2 ASP A 59 -2.791 18.431 -8.536 1.00 0.00 O ATOM 0 H ASP A 59 -2.252 14.399 -6.579 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.748 15.546 -7.666 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.850 15.631 -8.588 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.187 16.198 -9.570 1.00 0.00 H new ATOM 930 N ALA A 60 -4.513 14.083 -9.940 1.00 0.00 N ATOM 931 CA ALA A 60 -4.775 13.005 -10.886 1.00 0.00 C ATOM 932 C ALA A 60 -3.740 11.893 -10.751 1.00 0.00 C ATOM 933 O ALA A 60 -4.061 10.777 -10.343 1.00 0.00 O ATOM 934 CB ALA A 60 -4.792 13.544 -12.308 1.00 0.00 C ATOM 0 H ALA A 60 -4.745 15.014 -10.287 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.754 12.584 -10.658 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.989 12.728 -13.004 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.574 14.298 -12.402 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.826 13.993 -12.539 1.00 0.00 H new ATOM 940 N LYS A 61 -2.495 12.205 -11.098 1.00 0.00 N ATOM 941 CA LYS A 61 -1.411 11.233 -11.015 1.00 0.00 C ATOM 942 C LYS A 61 -1.563 10.352 -9.780 1.00 0.00 C ATOM 943 O LYS A 61 -1.729 9.137 -9.888 1.00 0.00 O ATOM 944 CB LYS A 61 -0.059 11.949 -10.982 1.00 0.00 C ATOM 945 CG LYS A 61 0.088 13.021 -12.047 1.00 0.00 C ATOM 946 CD LYS A 61 1.527 13.496 -12.165 1.00 0.00 C ATOM 947 CE LYS A 61 1.805 14.669 -11.238 1.00 0.00 C ATOM 948 NZ LYS A 61 3.195 15.181 -11.393 1.00 0.00 N ATOM 0 H LYS A 61 -2.212 13.124 -11.439 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.457 10.598 -11.899 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.078 12.403 -10.000 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.735 11.213 -11.107 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.247 12.629 -13.008 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.556 13.866 -11.805 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.203 12.675 -11.927 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.731 13.789 -13.195 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.097 15.471 -11.445 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.644 14.361 -10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.345 15.980 -10.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.871 14.423 -11.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.341 15.498 -12.373 1.00 0.00 H new ATOM 962 N TYR A 62 -1.507 10.972 -8.606 1.00 0.00 N ATOM 963 CA TYR A 62 -1.638 10.244 -7.350 1.00 0.00 C ATOM 964 C TYR A 62 -2.647 9.107 -7.481 1.00 0.00 C ATOM 965 O TYR A 62 -2.351 7.957 -7.155 1.00 0.00 O ATOM 966 CB TYR A 62 -2.065 11.192 -6.228 1.00 0.00 C ATOM 967 CG TYR A 62 -2.264 10.504 -4.897 1.00 0.00 C ATOM 968 CD1 TYR A 62 -1.180 10.025 -4.171 1.00 0.00 C ATOM 969 CD2 TYR A 62 -3.536 10.332 -4.365 1.00 0.00 C ATOM 970 CE1 TYR A 62 -1.358 9.395 -2.954 1.00 0.00 C ATOM 971 CE2 TYR A 62 -3.723 9.705 -3.149 1.00 0.00 C ATOM 972 CZ TYR A 62 -2.631 9.238 -2.447 1.00 0.00 C ATOM 973 OH TYR A 62 -2.813 8.611 -1.236 1.00 0.00 O ATOM 0 H TYR A 62 -1.372 11.977 -8.499 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.666 9.816 -7.105 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.311 11.971 -6.116 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.993 11.686 -6.515 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.182 10.147 -4.565 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.393 10.695 -4.912 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.505 9.028 -2.403 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.719 9.581 -2.750 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.029 8.764 -0.668 1.00 0.00 H new ATOM 983 N LYS A 63 -3.840 9.437 -7.963 1.00 0.00 N ATOM 984 CA LYS A 63 -4.895 8.446 -8.141 1.00 0.00 C ATOM 985 C LYS A 63 -4.602 7.549 -9.340 1.00 0.00 C ATOM 986 O LYS A 63 -4.998 6.385 -9.368 1.00 0.00 O ATOM 987 CB LYS A 63 -6.247 9.138 -8.327 1.00 0.00 C ATOM 988 CG LYS A 63 -6.718 9.892 -7.096 1.00 0.00 C ATOM 989 CD LYS A 63 -6.203 11.321 -7.086 1.00 0.00 C ATOM 990 CE LYS A 63 -7.101 12.232 -6.264 1.00 0.00 C ATOM 991 NZ LYS A 63 -8.337 12.609 -7.005 1.00 0.00 N ATOM 0 H LYS A 63 -4.101 10.384 -8.238 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.931 7.826 -7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.178 9.833 -9.164 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.995 8.391 -8.593 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.808 9.897 -7.066 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.377 9.375 -6.199 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.192 11.342 -6.679 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.143 11.694 -8.108 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.373 11.731 -5.335 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.552 13.133 -5.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.898 13.271 -6.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.078 13.064 -7.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.900 11.756 -7.199 1.00 0.00 H new ATOM 1005 N ASN A 64 -3.904 8.099 -10.329 1.00 0.00 N ATOM 1006 CA ASN A 64 -3.557 7.348 -11.530 1.00 0.00 C ATOM 1007 C ASN A 64 -2.638 6.179 -11.193 1.00 0.00 C ATOM 1008 O ASN A 64 -2.633 5.159 -11.883 1.00 0.00 O ATOM 1009 CB ASN A 64 -2.883 8.265 -12.552 1.00 0.00 C ATOM 1010 CG ASN A 64 -2.780 7.624 -13.923 1.00 0.00 C ATOM 1011 OD1 ASN A 64 -2.400 6.460 -14.050 1.00 0.00 O ATOM 1012 ND2 ASN A 64 -3.117 8.385 -14.958 1.00 0.00 N ATOM 0 H ASN A 64 -3.568 9.062 -10.322 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.477 6.951 -11.960 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.447 9.195 -12.630 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.885 8.526 -12.200 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.066 8.010 -15.905 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.427 9.345 -14.806 1.00 0.00 H new ATOM 1019 N LYS A 65 -1.859 6.333 -10.128 1.00 0.00 N ATOM 1020 CA LYS A 65 -0.935 5.290 -9.697 1.00 0.00 C ATOM 1021 C LYS A 65 -1.651 4.249 -8.843 1.00 0.00 C ATOM 1022 O LYS A 65 -1.394 3.051 -8.962 1.00 0.00 O ATOM 1023 CB LYS A 65 0.225 5.902 -8.908 1.00 0.00 C ATOM 1024 CG LYS A 65 1.063 4.876 -8.166 1.00 0.00 C ATOM 1025 CD LYS A 65 1.726 3.899 -9.123 1.00 0.00 C ATOM 1026 CE LYS A 65 2.864 4.555 -9.889 1.00 0.00 C ATOM 1027 NZ LYS A 65 3.067 3.929 -11.225 1.00 0.00 N ATOM 0 H LYS A 65 -1.849 7.171 -9.547 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.542 4.797 -10.586 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.867 6.456 -9.593 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.173 6.621 -8.192 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.826 5.385 -7.578 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.433 4.329 -7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.107 3.044 -8.565 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.985 3.517 -9.826 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.653 5.617 -10.014 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.784 4.479 -9.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.851 4.404 -11.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.294 2.921 -11.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.198 4.024 -11.788 1.00 0.00 H new ATOM 1041 N TYR A 66 -2.550 4.713 -7.982 1.00 0.00 N ATOM 1042 CA TYR A 66 -3.303 3.821 -7.107 1.00 0.00 C ATOM 1043 C TYR A 66 -4.177 2.871 -7.920 1.00 0.00 C ATOM 1044 O TYR A 66 -4.017 1.652 -7.854 1.00 0.00 O ATOM 1045 CB TYR A 66 -4.170 4.631 -6.142 1.00 0.00 C ATOM 1046 CG TYR A 66 -5.414 3.902 -5.689 1.00 0.00 C ATOM 1047 CD1 TYR A 66 -5.326 2.747 -4.921 1.00 0.00 C ATOM 1048 CD2 TYR A 66 -6.679 4.367 -6.029 1.00 0.00 C ATOM 1049 CE1 TYR A 66 -6.460 2.077 -4.505 1.00 0.00 C ATOM 1050 CE2 TYR A 66 -7.818 3.704 -5.616 1.00 0.00 C ATOM 1051 CZ TYR A 66 -7.704 2.560 -4.855 1.00 0.00 C ATOM 1052 OH TYR A 66 -8.836 1.896 -4.443 1.00 0.00 O ATOM 0 H TYR A 66 -2.775 5.702 -7.871 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.590 3.229 -6.534 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.576 4.896 -5.268 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.461 5.564 -6.624 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.354 2.367 -4.645 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.773 5.262 -6.626 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.373 1.180 -3.909 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.793 4.080 -5.888 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.367 1.639 -5.225 1.00 0.00 H new ATOM 1062 N ARG A 67 -5.103 3.439 -8.686 1.00 0.00 N ATOM 1063 CA ARG A 67 -6.004 2.644 -9.512 1.00 0.00 C ATOM 1064 C ARG A 67 -5.225 1.636 -10.352 1.00 0.00 C ATOM 1065 O ARG A 67 -5.738 0.571 -10.696 1.00 0.00 O ATOM 1066 CB ARG A 67 -6.830 3.553 -10.423 1.00 0.00 C ATOM 1067 CG ARG A 67 -6.012 4.237 -11.506 1.00 0.00 C ATOM 1068 CD ARG A 67 -6.903 4.939 -12.518 1.00 0.00 C ATOM 1069 NE ARG A 67 -7.338 4.038 -13.582 1.00 0.00 N ATOM 1070 CZ ARG A 67 -6.559 3.661 -14.590 1.00 0.00 C ATOM 1071 NH1 ARG A 67 -5.312 4.104 -14.670 1.00 0.00 N ATOM 1072 NH2 ARG A 67 -7.027 2.838 -15.520 1.00 0.00 N ATOM 0 H ARG A 67 -5.249 4.446 -8.752 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.676 2.097 -8.850 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.618 2.964 -10.892 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.320 4.313 -9.815 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.337 4.961 -11.050 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.392 3.499 -12.016 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.776 5.348 -12.010 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.364 5.781 -12.953 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.292 3.679 -13.549 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.948 4.736 -13.957 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.716 3.813 -15.445 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.986 2.494 -15.461 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.428 2.549 -16.294 1.00 0.00 H new ATOM 1086 N SER A 68 -3.984 1.980 -10.680 1.00 0.00 N ATOM 1087 CA SER A 68 -3.135 1.108 -11.483 1.00 0.00 C ATOM 1088 C SER A 68 -2.571 -0.029 -10.638 1.00 0.00 C ATOM 1089 O SER A 68 -2.675 -1.201 -11.003 1.00 0.00 O ATOM 1090 CB SER A 68 -1.992 1.909 -12.110 1.00 0.00 C ATOM 1091 OG SER A 68 -1.037 1.051 -12.709 1.00 0.00 O ATOM 0 H SER A 68 -3.544 2.857 -10.402 1.00 0.00 H new ATOM 0 HA SER A 68 -3.746 0.679 -12.277 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.391 2.593 -12.859 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.509 2.519 -11.346 1.00 0.00 H new ATOM 0 HG SER A 68 -0.318 1.587 -13.104 1.00 0.00 H new ATOM 1097 N LEU A 69 -1.972 0.324 -9.506 1.00 0.00 N ATOM 1098 CA LEU A 69 -1.390 -0.666 -8.607 1.00 0.00 C ATOM 1099 C LEU A 69 -2.403 -1.753 -8.264 1.00 0.00 C ATOM 1100 O LEU A 69 -2.057 -2.930 -8.168 1.00 0.00 O ATOM 1101 CB LEU A 69 -0.895 0.008 -7.326 1.00 0.00 C ATOM 1102 CG LEU A 69 0.373 0.852 -7.458 1.00 0.00 C ATOM 1103 CD1 LEU A 69 1.044 1.024 -6.104 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.333 0.220 -8.455 1.00 0.00 C ATOM 0 H LEU A 69 -1.877 1.289 -9.189 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.545 -1.130 -9.116 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.693 0.644 -6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.717 -0.765 -6.578 1.00 0.00 H new ATOM 0 HG LEU A 69 0.093 1.838 -7.829 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.945 1.627 -6.218 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.358 1.522 -5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.311 0.046 -5.703 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.230 0.834 -8.536 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.607 -0.778 -8.114 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.851 0.151 -9.430 1.00 0.00 H new ATOM 1116 N MET A 70 -3.657 -1.351 -8.083 1.00 0.00 N ATOM 1117 CA MET A 70 -4.722 -2.291 -7.755 1.00 0.00 C ATOM 1118 C MET A 70 -5.289 -2.933 -9.017 1.00 0.00 C ATOM 1119 O MET A 70 -5.620 -4.119 -9.028 1.00 0.00 O ATOM 1120 CB MET A 70 -5.837 -1.583 -6.983 1.00 0.00 C ATOM 1121 CG MET A 70 -6.644 -0.616 -7.833 1.00 0.00 C ATOM 1122 SD MET A 70 -7.832 0.335 -6.865 1.00 0.00 S ATOM 1123 CE MET A 70 -8.212 -0.829 -5.558 1.00 0.00 C ATOM 0 H MET A 70 -3.960 -0.380 -8.158 1.00 0.00 H new ATOM 0 HA MET A 70 -4.299 -3.076 -7.129 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.508 -2.331 -6.562 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.400 -1.040 -6.145 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.965 0.068 -8.342 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.174 -1.173 -8.606 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.037 -0.446 -4.958 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.495 -1.787 -5.995 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.335 -0.964 -4.925 1.00 0.00 H new ATOM 1133 N PHE A 71 -5.398 -2.142 -10.080 1.00 0.00 N ATOM 1134 CA PHE A 71 -5.926 -2.633 -11.347 1.00 0.00 C ATOM 1135 C PHE A 71 -5.313 -3.983 -11.705 1.00 0.00 C ATOM 1136 O PHE A 71 -5.973 -4.841 -12.291 1.00 0.00 O ATOM 1137 CB PHE A 71 -5.652 -1.623 -12.464 1.00 0.00 C ATOM 1138 CG PHE A 71 -5.761 -2.210 -13.842 1.00 0.00 C ATOM 1139 CD1 PHE A 71 -4.843 -3.149 -14.284 1.00 0.00 C ATOM 1140 CD2 PHE A 71 -6.781 -1.822 -14.696 1.00 0.00 C ATOM 1141 CE1 PHE A 71 -4.941 -3.689 -15.552 1.00 0.00 C ATOM 1142 CE2 PHE A 71 -6.884 -2.359 -15.965 1.00 0.00 C ATOM 1143 CZ PHE A 71 -5.963 -3.295 -16.393 1.00 0.00 C ATOM 0 H PHE A 71 -5.128 -1.159 -10.089 1.00 0.00 H new ATOM 0 HA PHE A 71 -7.003 -2.760 -11.238 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.354 -0.794 -12.374 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -4.652 -1.209 -12.332 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.042 -3.462 -13.630 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.504 -1.091 -14.366 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -4.218 -4.419 -15.885 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -7.683 -2.047 -16.621 1.00 0.00 H new ATOM 0 HZ PHE A 71 -6.042 -3.718 -17.384 1.00 0.00 H new ATOM 1153 N ASN A 72 -4.045 -4.164 -11.349 1.00 0.00 N ATOM 1154 CA ASN A 72 -3.342 -5.410 -11.634 1.00 0.00 C ATOM 1155 C ASN A 72 -3.568 -6.429 -10.521 1.00 0.00 C ATOM 1156 O ASN A 72 -3.493 -7.637 -10.747 1.00 0.00 O ATOM 1157 CB ASN A 72 -1.844 -5.146 -11.802 1.00 0.00 C ATOM 1158 CG ASN A 72 -1.520 -4.473 -13.122 1.00 0.00 C ATOM 1159 OD1 ASN A 72 -1.165 -5.135 -14.098 1.00 0.00 O ATOM 1160 ND2 ASN A 72 -1.641 -3.152 -13.158 1.00 0.00 N ATOM 0 H ASN A 72 -3.484 -3.464 -10.863 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.740 -5.819 -12.563 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.494 -4.519 -10.982 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.302 -6.089 -11.736 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.437 -2.644 -14.019 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.938 -2.644 -12.325 1.00 0.00 H new ATOM 1167 N LEU A 73 -3.846 -5.933 -9.321 1.00 0.00 N ATOM 1168 CA LEU A 73 -4.085 -6.800 -8.172 1.00 0.00 C ATOM 1169 C LEU A 73 -5.392 -7.570 -8.332 1.00 0.00 C ATOM 1170 O LEU A 73 -5.428 -8.792 -8.187 1.00 0.00 O ATOM 1171 CB LEU A 73 -4.120 -5.976 -6.884 1.00 0.00 C ATOM 1172 CG LEU A 73 -2.767 -5.501 -6.354 1.00 0.00 C ATOM 1173 CD1 LEU A 73 -2.957 -4.529 -5.200 1.00 0.00 C ATOM 1174 CD2 LEU A 73 -1.918 -6.687 -5.920 1.00 0.00 C ATOM 0 H LEU A 73 -3.912 -4.936 -9.118 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.267 -7.518 -8.115 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.749 -5.102 -7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.603 -6.571 -6.109 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.246 -4.981 -7.158 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.983 -4.202 -4.836 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.526 -3.664 -5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.499 -5.023 -4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.959 -6.330 -5.546 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.434 -7.235 -5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.752 -7.347 -6.772 1.00 0.00 H new ATOM 1186 N LYS A 74 -6.465 -6.846 -8.635 1.00 0.00 N ATOM 1187 CA LYS A 74 -7.775 -7.460 -8.819 1.00 0.00 C ATOM 1188 C LYS A 74 -7.866 -8.151 -10.176 1.00 0.00 C ATOM 1189 O LYS A 74 -8.744 -8.984 -10.401 1.00 0.00 O ATOM 1190 CB LYS A 74 -8.876 -6.404 -8.698 1.00 0.00 C ATOM 1191 CG LYS A 74 -9.160 -5.669 -9.997 1.00 0.00 C ATOM 1192 CD LYS A 74 -10.314 -4.693 -9.844 1.00 0.00 C ATOM 1193 CE LYS A 74 -10.523 -3.874 -11.109 1.00 0.00 C ATOM 1194 NZ LYS A 74 -11.942 -3.453 -11.269 1.00 0.00 N ATOM 0 H LYS A 74 -6.453 -5.834 -8.758 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.911 -8.210 -8.039 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.792 -6.884 -8.354 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.591 -5.679 -7.935 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.267 -5.131 -10.315 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.393 -6.390 -10.781 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.227 -5.241 -9.609 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.118 -4.025 -9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.884 -2.992 -11.080 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.218 -4.460 -11.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.043 -2.897 -12.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.550 -4.295 -11.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.226 -2.872 -10.454 1.00 0.00 H new ATOM 1208 N ASP A 75 -6.953 -7.802 -11.075 1.00 0.00 N ATOM 1209 CA ASP A 75 -6.928 -8.391 -12.409 1.00 0.00 C ATOM 1210 C ASP A 75 -6.973 -9.914 -12.331 1.00 0.00 C ATOM 1211 O ASP A 75 -6.197 -10.546 -11.615 1.00 0.00 O ATOM 1212 CB ASP A 75 -5.676 -7.943 -13.165 1.00 0.00 C ATOM 1213 CG ASP A 75 -5.739 -8.283 -14.641 1.00 0.00 C ATOM 1214 OD1 ASP A 75 -6.705 -7.858 -15.308 1.00 0.00 O ATOM 1215 OD2 ASP A 75 -4.820 -8.974 -15.130 1.00 0.00 O ATOM 0 H ASP A 75 -6.220 -7.114 -10.904 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.810 -8.046 -12.948 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.550 -6.867 -13.048 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.799 -8.416 -12.723 1.00 0.00 H new ATOM 1220 N PRO A 76 -7.903 -10.518 -13.085 1.00 0.00 N ATOM 1221 CA PRO A 76 -8.072 -11.974 -13.119 1.00 0.00 C ATOM 1222 C PRO A 76 -6.911 -12.676 -13.815 1.00 0.00 C ATOM 1223 O PRO A 76 -6.615 -13.837 -13.532 1.00 0.00 O ATOM 1224 CB PRO A 76 -9.366 -12.163 -13.914 1.00 0.00 C ATOM 1225 CG PRO A 76 -9.468 -10.944 -14.766 1.00 0.00 C ATOM 1226 CD PRO A 76 -8.862 -9.826 -13.964 1.00 0.00 C ATOM 0 HA PRO A 76 -8.105 -12.404 -12.118 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.330 -13.068 -14.520 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.227 -12.257 -13.252 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -8.937 -11.081 -15.708 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.507 -10.727 -15.014 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -8.366 -9.096 -14.603 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.617 -9.288 -13.391 1.00 0.00 H new ATOM 1234 N LYS A 77 -6.256 -11.965 -14.725 1.00 0.00 N ATOM 1235 CA LYS A 77 -5.125 -12.518 -15.461 1.00 0.00 C ATOM 1236 C LYS A 77 -3.864 -12.517 -14.603 1.00 0.00 C ATOM 1237 O LYS A 77 -3.007 -13.388 -14.742 1.00 0.00 O ATOM 1238 CB LYS A 77 -4.884 -11.718 -16.743 1.00 0.00 C ATOM 1239 CG LYS A 77 -6.081 -11.691 -17.678 1.00 0.00 C ATOM 1240 CD LYS A 77 -5.659 -11.447 -19.117 1.00 0.00 C ATOM 1241 CE LYS A 77 -5.591 -9.961 -19.434 1.00 0.00 C ATOM 1242 NZ LYS A 77 -4.951 -9.704 -20.754 1.00 0.00 N ATOM 0 H LYS A 77 -6.489 -11.003 -14.971 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.363 -13.549 -15.723 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.618 -10.695 -16.478 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.031 -12.143 -17.271 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.618 -12.637 -17.611 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.772 -10.909 -17.363 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.685 -11.903 -19.294 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.365 -11.932 -19.791 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.597 -9.543 -19.431 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -5.030 -9.448 -18.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.924 -8.680 -20.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.982 -10.081 -20.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.500 -10.172 -21.503 1.00 0.00 H new ATOM 1256 N ASN A 78 -3.759 -11.533 -13.715 1.00 0.00 N ATOM 1257 CA ASN A 78 -2.603 -11.420 -12.834 1.00 0.00 C ATOM 1258 C ASN A 78 -2.918 -11.975 -11.449 1.00 0.00 C ATOM 1259 O ASN A 78 -3.762 -11.439 -10.731 1.00 0.00 O ATOM 1260 CB ASN A 78 -2.162 -9.959 -12.722 1.00 0.00 C ATOM 1261 CG ASN A 78 -1.505 -9.654 -11.390 1.00 0.00 C ATOM 1262 OD1 ASN A 78 -2.164 -9.628 -10.351 1.00 0.00 O ATOM 1263 ND2 ASN A 78 -0.197 -9.420 -11.416 1.00 0.00 N ATOM 0 H ASN A 78 -4.460 -10.803 -13.587 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.791 -12.006 -13.264 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.466 -9.730 -13.529 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.028 -9.310 -12.854 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.301 -9.208 -10.551 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.309 -9.452 -12.301 1.00 0.00 H new ATOM 1270 N ASN A 79 -2.233 -13.053 -11.079 1.00 0.00 N ATOM 1271 CA ASN A 79 -2.440 -13.681 -9.779 1.00 0.00 C ATOM 1272 C ASN A 79 -1.107 -13.964 -9.094 1.00 0.00 C ATOM 1273 O ASN A 79 -0.872 -15.069 -8.604 1.00 0.00 O ATOM 1274 CB ASN A 79 -3.231 -14.981 -9.938 1.00 0.00 C ATOM 1275 CG ASN A 79 -4.359 -14.852 -10.943 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -4.823 -13.750 -11.234 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -4.807 -15.982 -11.478 1.00 0.00 N ATOM 0 H ASN A 79 -1.530 -13.509 -11.661 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.009 -12.991 -9.156 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.557 -15.777 -10.253 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.641 -15.274 -8.972 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.566 -15.958 -12.160 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.393 -16.874 -11.207 1.00 0.00 H new ATOM 1284 N ILE A 80 -0.239 -12.958 -9.062 1.00 0.00 N ATOM 1285 CA ILE A 80 1.069 -13.099 -8.435 1.00 0.00 C ATOM 1286 C ILE A 80 1.350 -11.940 -7.484 1.00 0.00 C ATOM 1287 O ILE A 80 1.594 -12.144 -6.294 1.00 0.00 O ATOM 1288 CB ILE A 80 2.193 -13.169 -9.486 1.00 0.00 C ATOM 1289 CG1 ILE A 80 1.921 -14.301 -10.479 1.00 0.00 C ATOM 1290 CG2 ILE A 80 3.541 -13.364 -8.808 1.00 0.00 C ATOM 1291 CD1 ILE A 80 2.114 -15.681 -9.890 1.00 0.00 C ATOM 0 H ILE A 80 -0.418 -12.037 -9.463 1.00 0.00 H new ATOM 0 HA ILE A 80 1.050 -14.032 -7.872 1.00 0.00 H new ATOM 0 HB ILE A 80 2.218 -12.227 -10.034 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.899 -14.212 -10.848 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.581 -14.186 -11.338 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.325 -13.412 -9.564 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.735 -12.528 -8.136 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.530 -14.293 -8.237 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.904 -16.434 -10.650 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.143 -15.789 -9.546 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.434 -15.816 -9.049 1.00 0.00 H new ATOM 1303 N LEU A 81 1.313 -10.723 -8.015 1.00 0.00 N ATOM 1304 CA LEU A 81 1.561 -9.530 -7.214 1.00 0.00 C ATOM 1305 C LEU A 81 0.837 -9.613 -5.874 1.00 0.00 C ATOM 1306 O LEU A 81 1.467 -9.652 -4.817 1.00 0.00 O ATOM 1307 CB LEU A 81 1.113 -8.280 -7.972 1.00 0.00 C ATOM 1308 CG LEU A 81 1.823 -6.978 -7.600 1.00 0.00 C ATOM 1309 CD1 LEU A 81 3.323 -7.110 -7.809 1.00 0.00 C ATOM 1310 CD2 LEU A 81 1.269 -5.817 -8.412 1.00 0.00 C ATOM 0 H LEU A 81 1.113 -10.537 -8.998 1.00 0.00 H new ATOM 0 HA LEU A 81 2.632 -9.467 -7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.255 -8.456 -9.038 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.043 -8.146 -7.811 1.00 0.00 H new ATOM 0 HG LEU A 81 1.640 -6.776 -6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.812 -6.174 -7.539 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.708 -7.914 -7.182 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.526 -7.337 -8.856 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.786 -4.899 -8.134 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.420 -6.011 -9.474 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.203 -5.708 -8.211 1.00 0.00 H new ATOM 1322 N PHE A 82 -0.491 -9.644 -5.926 1.00 0.00 N ATOM 1323 CA PHE A 82 -1.301 -9.724 -4.716 1.00 0.00 C ATOM 1324 C PHE A 82 -0.698 -10.712 -3.722 1.00 0.00 C ATOM 1325 O PHE A 82 -0.896 -10.592 -2.513 1.00 0.00 O ATOM 1326 CB PHE A 82 -2.732 -10.141 -5.063 1.00 0.00 C ATOM 1327 CG PHE A 82 -2.935 -11.629 -5.082 1.00 0.00 C ATOM 1328 CD1 PHE A 82 -3.091 -12.336 -3.901 1.00 0.00 C ATOM 1329 CD2 PHE A 82 -2.969 -12.321 -6.282 1.00 0.00 C ATOM 1330 CE1 PHE A 82 -3.278 -13.705 -3.915 1.00 0.00 C ATOM 1331 CE2 PHE A 82 -3.156 -13.690 -6.302 1.00 0.00 C ATOM 1332 CZ PHE A 82 -3.310 -14.383 -5.117 1.00 0.00 C ATOM 0 H PHE A 82 -1.028 -9.615 -6.792 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.319 -8.737 -4.254 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.416 -9.698 -4.339 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.994 -9.734 -6.040 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.066 -11.811 -2.958 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.848 -11.785 -7.212 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.399 -14.244 -2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.182 -14.218 -7.244 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.455 -15.453 -5.131 1.00 0.00 H new ATOM 1342 N LYS A 83 0.038 -11.689 -4.241 1.00 0.00 N ATOM 1343 CA LYS A 83 0.671 -12.699 -3.401 1.00 0.00 C ATOM 1344 C LYS A 83 2.097 -12.292 -3.043 1.00 0.00 C ATOM 1345 O LYS A 83 2.583 -12.589 -1.952 1.00 0.00 O ATOM 1346 CB LYS A 83 0.679 -14.053 -4.114 1.00 0.00 C ATOM 1347 CG LYS A 83 1.026 -15.218 -3.203 1.00 0.00 C ATOM 1348 CD LYS A 83 1.310 -16.481 -3.998 1.00 0.00 C ATOM 1349 CE LYS A 83 0.048 -17.025 -4.651 1.00 0.00 C ATOM 1350 NZ LYS A 83 -0.241 -16.350 -5.946 1.00 0.00 N ATOM 0 H LYS A 83 0.211 -11.803 -5.240 1.00 0.00 H new ATOM 0 HA LYS A 83 0.094 -12.784 -2.480 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.302 -14.228 -4.555 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.396 -14.018 -4.934 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.897 -14.963 -2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.202 -15.399 -2.512 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.055 -16.270 -4.765 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.736 -17.238 -3.340 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.158 -18.097 -4.817 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.797 -16.892 -3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.094 -15.762 -5.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.565 -15.749 -6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.397 -17.066 -6.684 1.00 0.00 H new ATOM 1364 N LYS A 84 2.763 -11.609 -3.969 1.00 0.00 N ATOM 1365 CA LYS A 84 4.132 -11.159 -3.750 1.00 0.00 C ATOM 1366 C LYS A 84 4.183 -10.068 -2.685 1.00 0.00 C ATOM 1367 O LYS A 84 5.096 -10.035 -1.860 1.00 0.00 O ATOM 1368 CB LYS A 84 4.734 -10.639 -5.058 1.00 0.00 C ATOM 1369 CG LYS A 84 4.864 -11.703 -6.133 1.00 0.00 C ATOM 1370 CD LYS A 84 5.715 -11.220 -7.296 1.00 0.00 C ATOM 1371 CE LYS A 84 4.937 -10.278 -8.203 1.00 0.00 C ATOM 1372 NZ LYS A 84 5.433 -10.324 -9.606 1.00 0.00 N ATOM 0 H LYS A 84 2.376 -11.355 -4.878 1.00 0.00 H new ATOM 0 HA LYS A 84 4.717 -12.010 -3.400 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.113 -9.827 -5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.719 -10.219 -4.853 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.308 -12.602 -5.705 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.874 -11.978 -6.495 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.600 -10.711 -6.914 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.064 -12.076 -7.873 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.880 -10.544 -8.182 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.017 -9.260 -7.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.878 -9.669 -10.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.435 -10.045 -9.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.334 -11.290 -9.978 1.00 0.00 H new ATOM 1386 N VAL A 85 3.196 -9.178 -2.709 1.00 0.00 N ATOM 1387 CA VAL A 85 3.127 -8.087 -1.744 1.00 0.00 C ATOM 1388 C VAL A 85 2.711 -8.596 -0.368 1.00 0.00 C ATOM 1389 O VAL A 85 3.215 -8.134 0.656 1.00 0.00 O ATOM 1390 CB VAL A 85 2.137 -6.998 -2.198 1.00 0.00 C ATOM 1391 CG1 VAL A 85 1.973 -5.941 -1.116 1.00 0.00 C ATOM 1392 CG2 VAL A 85 2.600 -6.369 -3.503 1.00 0.00 C ATOM 0 H VAL A 85 2.433 -9.191 -3.386 1.00 0.00 H new ATOM 0 HA VAL A 85 4.126 -7.656 -1.682 1.00 0.00 H new ATOM 0 HB VAL A 85 1.166 -7.462 -2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.270 -5.180 -1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.593 -6.407 -0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.938 -5.478 -0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.889 -5.602 -3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.582 -5.918 -3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.661 -7.136 -4.275 1.00 0.00 H new ATOM 1402 N LEU A 86 1.787 -9.551 -0.352 1.00 0.00 N ATOM 1403 CA LEU A 86 1.302 -10.125 0.899 1.00 0.00 C ATOM 1404 C LEU A 86 2.366 -11.009 1.541 1.00 0.00 C ATOM 1405 O LEU A 86 2.725 -10.823 2.704 1.00 0.00 O ATOM 1406 CB LEU A 86 0.030 -10.936 0.650 1.00 0.00 C ATOM 1407 CG LEU A 86 -1.288 -10.168 0.756 1.00 0.00 C ATOM 1408 CD1 LEU A 86 -1.347 -9.063 -0.288 1.00 0.00 C ATOM 1409 CD2 LEU A 86 -2.471 -11.113 0.603 1.00 0.00 C ATOM 0 H LEU A 86 1.359 -9.944 -1.190 1.00 0.00 H new ATOM 0 HA LEU A 86 1.076 -9.307 1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.092 -11.375 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.004 -11.761 1.361 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.341 -9.710 1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.292 -8.527 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.520 -8.370 -0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.271 -9.499 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.400 -10.548 0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.424 -11.601 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.438 -11.868 1.389 1.00 0.00 H new ATOM 1421 N LYS A 87 2.869 -11.971 0.775 1.00 0.00 N ATOM 1422 CA LYS A 87 3.895 -12.883 1.267 1.00 0.00 C ATOM 1423 C LYS A 87 5.124 -12.115 1.741 1.00 0.00 C ATOM 1424 O LYS A 87 5.683 -12.409 2.796 1.00 0.00 O ATOM 1425 CB LYS A 87 4.291 -13.876 0.172 1.00 0.00 C ATOM 1426 CG LYS A 87 4.757 -15.219 0.708 1.00 0.00 C ATOM 1427 CD LYS A 87 3.584 -16.093 1.118 1.00 0.00 C ATOM 1428 CE LYS A 87 4.050 -17.350 1.837 1.00 0.00 C ATOM 1429 NZ LYS A 87 2.908 -18.118 2.406 1.00 0.00 N ATOM 0 H LYS A 87 2.583 -12.139 -0.189 1.00 0.00 H new ATOM 0 HA LYS A 87 3.483 -13.431 2.114 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.439 -14.034 -0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.086 -13.440 -0.432 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.345 -15.731 -0.053 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.412 -15.062 1.565 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.917 -15.527 1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.009 -16.370 0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.603 -17.982 1.142 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.739 -17.077 2.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.266 -18.967 2.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.395 -17.523 3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.264 -18.401 1.640 1.00 0.00 H new ATOM 1443 N GLY A 88 5.540 -11.128 0.953 1.00 0.00 N ATOM 1444 CA GLY A 88 6.699 -10.332 1.310 1.00 0.00 C ATOM 1445 C GLY A 88 7.605 -10.063 0.124 1.00 0.00 C ATOM 1446 O GLY A 88 8.311 -9.056 0.091 1.00 0.00 O ATOM 0 H GLY A 88 5.095 -10.866 0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.368 -9.384 1.733 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.265 -10.847 2.086 1.00 0.00 H new ATOM 1450 N GLU A 89 7.585 -10.966 -0.851 1.00 0.00 N ATOM 1451 CA GLU A 89 8.414 -10.821 -2.042 1.00 0.00 C ATOM 1452 C GLU A 89 8.558 -9.353 -2.429 1.00 0.00 C ATOM 1453 O GLU A 89 9.662 -8.871 -2.683 1.00 0.00 O ATOM 1454 CB GLU A 89 7.813 -11.611 -3.207 1.00 0.00 C ATOM 1455 CG GLU A 89 7.761 -13.110 -2.964 1.00 0.00 C ATOM 1456 CD GLU A 89 9.123 -13.767 -3.075 1.00 0.00 C ATOM 1457 OE1 GLU A 89 10.135 -13.077 -2.831 1.00 0.00 O ATOM 1458 OE2 GLU A 89 9.177 -14.969 -3.407 1.00 0.00 O ATOM 0 H GLU A 89 7.005 -11.805 -0.840 1.00 0.00 H new ATOM 0 HA GLU A 89 9.404 -11.217 -1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.804 -11.247 -3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.398 -11.417 -4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.350 -13.299 -1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.082 -13.567 -3.683 1.00 0.00 H new ATOM 1465 N VAL A 90 7.433 -8.645 -2.474 1.00 0.00 N ATOM 1466 CA VAL A 90 7.432 -7.231 -2.829 1.00 0.00 C ATOM 1467 C VAL A 90 6.986 -6.369 -1.654 1.00 0.00 C ATOM 1468 O VAL A 90 6.142 -6.777 -0.855 1.00 0.00 O ATOM 1469 CB VAL A 90 6.512 -6.956 -4.033 1.00 0.00 C ATOM 1470 CG1 VAL A 90 6.199 -5.471 -4.137 1.00 0.00 C ATOM 1471 CG2 VAL A 90 7.148 -7.467 -5.317 1.00 0.00 C ATOM 0 H VAL A 90 6.510 -9.028 -2.269 1.00 0.00 H new ATOM 0 HA VAL A 90 8.456 -6.971 -3.097 1.00 0.00 H new ATOM 0 HB VAL A 90 5.574 -7.491 -3.882 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.548 -5.296 -4.993 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.699 -5.140 -3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.126 -4.912 -4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.484 -7.264 -6.158 1.00 0.00 H new ATOM 0 HG22 VAL A 90 8.101 -6.962 -5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.315 -8.541 -5.238 1.00 0.00 H new ATOM 1481 N THR A 91 7.557 -5.173 -1.554 1.00 0.00 N ATOM 1482 CA THR A 91 7.219 -4.252 -0.476 1.00 0.00 C ATOM 1483 C THR A 91 6.119 -3.287 -0.902 1.00 0.00 C ATOM 1484 O THR A 91 5.931 -3.005 -2.086 1.00 0.00 O ATOM 1485 CB THR A 91 8.448 -3.443 -0.021 1.00 0.00 C ATOM 1486 OG1 THR A 91 9.245 -3.084 -1.155 1.00 0.00 O ATOM 1487 CG2 THR A 91 9.289 -4.243 0.963 1.00 0.00 C ATOM 0 H THR A 91 8.256 -4.819 -2.207 1.00 0.00 H new ATOM 0 HA THR A 91 6.864 -4.858 0.357 1.00 0.00 H new ATOM 0 HB THR A 91 8.096 -2.539 0.477 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.941 -2.451 -0.879 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.151 -3.651 1.270 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.688 -4.490 1.838 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.631 -5.162 0.486 1.00 0.00 H new ATOM 1495 N PRO A 92 5.373 -2.765 0.083 1.00 0.00 N ATOM 1496 CA PRO A 92 4.280 -1.822 -0.166 1.00 0.00 C ATOM 1497 C PRO A 92 4.783 -0.462 -0.637 1.00 0.00 C ATOM 1498 O PRO A 92 4.055 0.290 -1.286 1.00 0.00 O ATOM 1499 CB PRO A 92 3.601 -1.696 1.200 1.00 0.00 C ATOM 1500 CG PRO A 92 4.667 -2.031 2.185 1.00 0.00 C ATOM 1501 CD PRO A 92 5.541 -3.056 1.517 1.00 0.00 C ATOM 0 HA PRO A 92 3.616 -2.169 -0.957 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.217 -0.689 1.360 1.00 0.00 H new ATOM 0 HB3 PRO A 92 2.754 -2.377 1.286 1.00 0.00 H new ATOM 0 HG2 PRO A 92 5.241 -1.145 2.455 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.237 -2.425 3.106 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.582 -2.960 1.827 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.228 -4.071 1.760 1.00 0.00 H new ATOM 1509 N ASP A 93 6.032 -0.152 -0.308 1.00 0.00 N ATOM 1510 CA ASP A 93 6.634 1.117 -0.699 1.00 0.00 C ATOM 1511 C ASP A 93 7.171 1.048 -2.125 1.00 0.00 C ATOM 1512 O ASP A 93 7.008 1.985 -2.907 1.00 0.00 O ATOM 1513 CB ASP A 93 7.761 1.491 0.266 1.00 0.00 C ATOM 1514 CG ASP A 93 8.587 0.291 0.684 1.00 0.00 C ATOM 1515 OD1 ASP A 93 9.178 -0.361 -0.204 1.00 0.00 O ATOM 1516 OD2 ASP A 93 8.644 0.003 1.897 1.00 0.00 O ATOM 0 H ASP A 93 6.648 -0.763 0.229 1.00 0.00 H new ATOM 0 HA ASP A 93 5.861 1.885 -0.658 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.410 2.228 -0.206 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.335 1.962 1.152 1.00 0.00 H new ATOM 1521 N HIS A 94 7.814 -0.068 -2.456 1.00 0.00 N ATOM 1522 CA HIS A 94 8.376 -0.260 -3.788 1.00 0.00 C ATOM 1523 C HIS A 94 7.276 -0.548 -4.805 1.00 0.00 C ATOM 1524 O HIS A 94 7.359 -0.130 -5.961 1.00 0.00 O ATOM 1525 CB HIS A 94 9.389 -1.404 -3.777 1.00 0.00 C ATOM 1526 CG HIS A 94 10.416 -1.305 -4.863 1.00 0.00 C ATOM 1527 ND1 HIS A 94 11.407 -0.347 -4.877 1.00 0.00 N ATOM 1528 CD2 HIS A 94 10.602 -2.053 -5.976 1.00 0.00 C ATOM 1529 CE1 HIS A 94 12.158 -0.509 -5.952 1.00 0.00 C ATOM 1530 NE2 HIS A 94 11.691 -1.538 -6.635 1.00 0.00 N ATOM 0 H HIS A 94 7.958 -0.852 -1.820 1.00 0.00 H new ATOM 0 HA HIS A 94 8.883 0.661 -4.078 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.894 -1.422 -2.811 1.00 0.00 H new ATOM 0 HB3 HIS A 94 8.857 -2.350 -3.876 1.00 0.00 H new ATOM 0 HD2 HIS A 94 10.005 -2.897 -6.288 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.009 0.097 -6.225 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.077 -1.893 -7.510 1.00 0.00 H new ATOM 1539 N LEU A 95 6.247 -1.266 -4.369 1.00 0.00 N ATOM 1540 CA LEU A 95 5.130 -1.612 -5.241 1.00 0.00 C ATOM 1541 C LEU A 95 4.683 -0.404 -6.058 1.00 0.00 C ATOM 1542 O LEU A 95 4.079 -0.550 -7.122 1.00 0.00 O ATOM 1543 CB LEU A 95 3.958 -2.146 -4.416 1.00 0.00 C ATOM 1544 CG LEU A 95 2.664 -2.417 -5.184 1.00 0.00 C ATOM 1545 CD1 LEU A 95 2.899 -3.448 -6.277 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.569 -2.883 -4.236 1.00 0.00 C ATOM 0 H LEU A 95 6.163 -1.620 -3.416 1.00 0.00 H new ATOM 0 HA LEU A 95 5.465 -2.389 -5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.271 -3.072 -3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.743 -1.431 -3.622 1.00 0.00 H new ATOM 0 HG LEU A 95 2.340 -1.488 -5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.967 -3.629 -6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.652 -3.076 -6.972 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.247 -4.379 -5.830 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.655 -3.071 -4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.884 -3.801 -3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.382 -2.112 -3.489 1.00 0.00 H new ATOM 1558 N ILE A 96 4.984 0.788 -5.555 1.00 0.00 N ATOM 1559 CA ILE A 96 4.616 2.021 -6.240 1.00 0.00 C ATOM 1560 C ILE A 96 5.654 2.396 -7.293 1.00 0.00 C ATOM 1561 O ILE A 96 5.318 2.947 -8.341 1.00 0.00 O ATOM 1562 CB ILE A 96 4.461 3.191 -5.250 1.00 0.00 C ATOM 1563 CG1 ILE A 96 3.672 2.743 -4.018 1.00 0.00 C ATOM 1564 CG2 ILE A 96 3.777 4.369 -5.925 1.00 0.00 C ATOM 1565 CD1 ILE A 96 3.826 3.669 -2.832 1.00 0.00 C ATOM 0 H ILE A 96 5.482 0.926 -4.676 1.00 0.00 H new ATOM 0 HA ILE A 96 3.658 1.837 -6.726 1.00 0.00 H new ATOM 0 HB ILE A 96 5.452 3.509 -4.927 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.616 2.672 -4.279 1.00 0.00 H new ATOM 0 HG13 ILE A 96 3.997 1.743 -3.732 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.675 5.188 -5.212 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.375 4.700 -6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 96 2.790 4.066 -6.273 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.239 3.289 -1.995 1.00 0.00 H new ATOM 0 HD12 ILE A 96 4.876 3.721 -2.545 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.473 4.665 -3.100 1.00 0.00 H new ATOM 1577 N ARG A 97 6.915 2.091 -7.008 1.00 0.00 N ATOM 1578 CA ARG A 97 8.002 2.394 -7.931 1.00 0.00 C ATOM 1579 C ARG A 97 8.469 1.135 -8.655 1.00 0.00 C ATOM 1580 O ARG A 97 9.654 0.978 -8.946 1.00 0.00 O ATOM 1581 CB ARG A 97 9.175 3.028 -7.180 1.00 0.00 C ATOM 1582 CG ARG A 97 9.539 2.303 -5.895 1.00 0.00 C ATOM 1583 CD ARG A 97 10.669 3.007 -5.159 1.00 0.00 C ATOM 1584 NE ARG A 97 11.948 2.857 -5.848 1.00 0.00 N ATOM 1585 CZ ARG A 97 13.116 3.182 -5.307 1.00 0.00 C ATOM 1586 NH1 ARG A 97 13.167 3.673 -4.076 1.00 0.00 N ATOM 1587 NH2 ARG A 97 14.238 3.016 -5.997 1.00 0.00 N ATOM 0 H ARG A 97 7.210 1.634 -6.145 1.00 0.00 H new ATOM 0 HA ARG A 97 7.629 3.101 -8.672 1.00 0.00 H new ATOM 0 HB2 ARG A 97 10.046 3.048 -7.835 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.928 4.063 -6.946 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.663 2.244 -5.249 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.835 1.279 -6.125 1.00 0.00 H new ATOM 0 HD2 ARG A 97 10.433 4.066 -5.060 1.00 0.00 H new ATOM 0 HD3 ARG A 97 10.751 2.603 -4.150 1.00 0.00 H new ATOM 0 HE ARG A 97 11.944 2.482 -6.797 1.00 0.00 H new ATOM 0 HH11 ARG A 97 12.307 3.802 -3.542 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.066 3.922 -3.663 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.203 2.638 -6.944 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.135 3.266 -5.580 1.00 0.00 H new ATOM 1601 N MET A 98 7.529 0.240 -8.941 1.00 0.00 N ATOM 1602 CA MET A 98 7.844 -1.005 -9.631 1.00 0.00 C ATOM 1603 C MET A 98 7.565 -0.884 -11.126 1.00 0.00 C ATOM 1604 O MET A 98 6.574 -0.279 -11.535 1.00 0.00 O ATOM 1605 CB MET A 98 7.032 -2.160 -9.041 1.00 0.00 C ATOM 1606 CG MET A 98 7.596 -2.694 -7.735 1.00 0.00 C ATOM 1607 SD MET A 98 7.209 -4.435 -7.472 1.00 0.00 S ATOM 1608 CE MET A 98 7.768 -5.144 -9.018 1.00 0.00 C ATOM 0 H MET A 98 6.543 0.354 -8.706 1.00 0.00 H new ATOM 0 HA MET A 98 8.906 -1.209 -9.493 1.00 0.00 H new ATOM 0 HB2 MET A 98 6.008 -1.826 -8.875 1.00 0.00 H new ATOM 0 HB3 MET A 98 6.989 -2.971 -9.767 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.678 -2.561 -7.730 1.00 0.00 H new ATOM 0 HG3 MET A 98 7.199 -2.108 -6.906 1.00 0.00 H new ATOM 0 HE1 MET A 98 7.931 -6.214 -8.890 1.00 0.00 H new ATOM 0 HE2 MET A 98 7.012 -4.982 -9.787 1.00 0.00 H new ATOM 0 HE3 MET A 98 8.701 -4.668 -9.320 1.00 0.00 H new ATOM 1618 N SER A 99 8.446 -1.462 -11.937 1.00 0.00 N ATOM 1619 CA SER A 99 8.297 -1.415 -13.386 1.00 0.00 C ATOM 1620 C SER A 99 6.869 -1.764 -13.797 1.00 0.00 C ATOM 1621 O SER A 99 6.208 -2.603 -13.185 1.00 0.00 O ATOM 1622 CB SER A 99 9.281 -2.377 -14.053 1.00 0.00 C ATOM 1623 OG SER A 99 10.618 -2.065 -13.701 1.00 0.00 O ATOM 0 H SER A 99 9.271 -1.968 -11.614 1.00 0.00 H new ATOM 0 HA SER A 99 8.514 -0.399 -13.716 1.00 0.00 H new ATOM 0 HB2 SER A 99 9.053 -3.400 -13.755 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.166 -2.327 -15.136 1.00 0.00 H new ATOM 0 HG SER A 99 11.227 -2.696 -14.139 1.00 0.00 H new ATOM 1629 N PRO A 100 6.382 -1.104 -14.858 1.00 0.00 N ATOM 1630 CA PRO A 100 5.029 -1.328 -15.376 1.00 0.00 C ATOM 1631 C PRO A 100 4.878 -2.695 -16.033 1.00 0.00 C ATOM 1632 O PRO A 100 3.772 -3.107 -16.383 1.00 0.00 O ATOM 1633 CB PRO A 100 4.857 -0.215 -16.413 1.00 0.00 C ATOM 1634 CG PRO A 100 6.244 0.119 -16.844 1.00 0.00 C ATOM 1635 CD PRO A 100 7.114 -0.090 -15.635 1.00 0.00 C ATOM 0 HA PRO A 100 4.282 -1.310 -14.583 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.250 -0.549 -17.255 1.00 0.00 H new ATOM 0 HB3 PRO A 100 4.356 0.653 -15.983 1.00 0.00 H new ATOM 0 HG2 PRO A 100 6.561 -0.520 -17.668 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.306 1.149 -17.196 1.00 0.00 H new ATOM 0 HD2 PRO A 100 8.109 -0.437 -15.912 1.00 0.00 H new ATOM 0 HD3 PRO A 100 7.244 0.833 -15.069 1.00 0.00 H new ATOM 1643 N GLU A 101 5.996 -3.395 -16.196 1.00 0.00 N ATOM 1644 CA GLU A 101 5.986 -4.717 -16.812 1.00 0.00 C ATOM 1645 C GLU A 101 6.122 -5.810 -15.756 1.00 0.00 C ATOM 1646 O GLU A 101 5.890 -6.986 -16.033 1.00 0.00 O ATOM 1647 CB GLU A 101 7.119 -4.836 -17.834 1.00 0.00 C ATOM 1648 CG GLU A 101 7.016 -6.070 -18.715 1.00 0.00 C ATOM 1649 CD GLU A 101 8.367 -6.545 -19.214 1.00 0.00 C ATOM 1650 OE1 GLU A 101 9.327 -6.550 -18.416 1.00 0.00 O ATOM 1651 OE2 GLU A 101 8.463 -6.912 -20.404 1.00 0.00 O ATOM 0 H GLU A 101 6.919 -3.069 -15.910 1.00 0.00 H new ATOM 0 HA GLU A 101 5.031 -4.845 -17.322 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.122 -3.948 -18.466 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.073 -4.855 -17.306 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.537 -6.873 -18.155 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.374 -5.850 -19.568 1.00 0.00 H new ATOM 1658 N GLU A 102 6.499 -5.411 -14.545 1.00 0.00 N ATOM 1659 CA GLU A 102 6.667 -6.357 -13.448 1.00 0.00 C ATOM 1660 C GLU A 102 5.333 -6.636 -12.762 1.00 0.00 C ATOM 1661 O GLU A 102 5.096 -7.738 -12.264 1.00 0.00 O ATOM 1662 CB GLU A 102 7.674 -5.818 -12.430 1.00 0.00 C ATOM 1663 CG GLU A 102 9.117 -6.161 -12.761 1.00 0.00 C ATOM 1664 CD GLU A 102 10.017 -6.136 -11.541 1.00 0.00 C ATOM 1665 OE1 GLU A 102 9.904 -7.053 -10.702 1.00 0.00 O ATOM 1666 OE2 GLU A 102 10.834 -5.199 -11.426 1.00 0.00 O ATOM 0 H GLU A 102 6.694 -4.440 -14.299 1.00 0.00 H new ATOM 0 HA GLU A 102 7.045 -7.291 -13.862 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.572 -4.735 -12.369 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.431 -6.217 -11.445 1.00 0.00 H new ATOM 0 HG2 GLU A 102 9.156 -7.151 -13.216 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.494 -5.455 -13.501 1.00 0.00 H new ATOM 1673 N LEU A 103 4.465 -5.631 -12.739 1.00 0.00 N ATOM 1674 CA LEU A 103 3.154 -5.767 -12.113 1.00 0.00 C ATOM 1675 C LEU A 103 2.427 -7.002 -12.634 1.00 0.00 C ATOM 1676 O LEU A 103 1.758 -7.706 -11.878 1.00 0.00 O ATOM 1677 CB LEU A 103 2.311 -4.517 -12.374 1.00 0.00 C ATOM 1678 CG LEU A 103 2.740 -3.251 -11.632 1.00 0.00 C ATOM 1679 CD1 LEU A 103 1.987 -2.041 -12.163 1.00 0.00 C ATOM 1680 CD2 LEU A 103 2.514 -3.408 -10.135 1.00 0.00 C ATOM 0 H LEU A 103 4.645 -4.713 -13.146 1.00 0.00 H new ATOM 0 HA LEU A 103 3.301 -5.881 -11.039 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.326 -4.310 -13.444 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.278 -4.738 -12.107 1.00 0.00 H new ATOM 0 HG LEU A 103 3.805 -3.095 -11.804 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.305 -1.149 -11.623 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.199 -1.918 -13.225 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.916 -2.188 -12.022 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.825 -2.498 -9.623 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.456 -3.589 -9.944 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.099 -4.250 -9.765 1.00 0.00 H new