USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 914 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 6 SER OG : rot -25:sc= 0.77 USER MOD Set 1.2: A 54 MET CE :methyl -172:sc= -0.551 (180deg=-0.596) USER MOD Set 1.3: A 71 GLN : amide:sc= 0.355 X(o=0.57,f=0.076) USER MOD Set 2.1: A 44 MET CE :methyl 145:sc=-0.00707 (180deg=-0.401) USER MOD Set 2.2: A 99 HIS : no HE2:sc=-0.000971! C(o=-0.008!,f=-5.8!) USER MOD Single : A 7 THR OG1 : rot -68:sc= 1.18 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00428 USER MOD Single : A 12 GLN :FLIP amide:sc=-0.00266 F(o=-1.8!,f=-0.0027) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.729 USER MOD Single : A 16 THR OG1 : rot 83:sc= 0.638 USER MOD Single : A 20 SER OG : rot -82:sc= 0.472 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -124:sc= 0.0679 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 95:sc= 1.26 USER MOD Single : A 43 THR OG1 : rot 151:sc= 0 USER MOD Single : A 46 TYR OH : rot -15:sc= -0.81 USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= 1.3 (180deg=1.09) USER MOD Single : A 52 ASN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 159:sc= 1.42 (180deg=1.22) USER MOD Single : A 55 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.12) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 1.08 K(o=1.1,f=-1.9!) USER MOD Single : A 70 HIS :FLIP no HE2:sc= 0.502 F(o=-1.6!,f=0.5) USER MOD Single : A 74 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.5!) USER MOD Single : A 83 THR OG1 : rot 80:sc= 0.489 USER MOD Single : A 87 LYS NZ :NH3+ -166:sc= -0.03 (180deg=-0.266) USER MOD Single : A 91 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0429) USER MOD Single : A 92 ASN : amide:sc= -0.107 K(o=-0.11,f=-2) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.00972 USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 96 ASN : amide:sc= 0.479 K(o=0.48,f=-9.5!) USER MOD Single : A 106 LYS NZ :NH3+ -155:sc= 1.28 (180deg=0.866) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ -167:sc= -0.009 (180deg=-0.223) USER MOD Single : A 111 ASN : amide:sc= 0.0932 X(o=0.093,f=0) USER MOD Single : A 112 ASN : amide:sc= 1.12 K(o=1.1,f=-0.54) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 76:sc= -2.74! USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N SER A 6 6.443 9.527 -4.802 1.00 0.00 N ATOM 86 CA SER A 6 5.107 9.953 -4.435 1.00 0.00 C ATOM 87 C SER A 6 5.076 10.468 -2.999 1.00 0.00 C ATOM 88 O SER A 6 4.977 9.687 -2.052 1.00 0.00 O ATOM 89 CB SER A 6 4.127 8.795 -4.617 1.00 0.00 C ATOM 90 OG SER A 6 4.572 7.637 -3.930 1.00 0.00 O ATOM 0 HA SER A 6 4.809 10.773 -5.088 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.143 9.085 -4.248 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.016 8.572 -5.678 1.00 0.00 H new ATOM 0 HG SER A 6 5.546 7.673 -3.825 1.00 0.00 H new ATOM 96 N THR A 7 5.191 11.782 -2.842 1.00 0.00 N ATOM 97 CA THR A 7 5.115 12.404 -1.527 1.00 0.00 C ATOM 98 C THR A 7 3.671 12.482 -1.044 1.00 0.00 C ATOM 99 O THR A 7 2.753 12.049 -1.746 1.00 0.00 O ATOM 100 CB THR A 7 5.717 13.824 -1.530 1.00 0.00 C ATOM 101 OG1 THR A 7 5.056 14.641 -2.508 1.00 0.00 O ATOM 102 CG2 THR A 7 7.208 13.781 -1.819 1.00 0.00 C ATOM 0 H THR A 7 5.337 12.437 -3.610 1.00 0.00 H new ATOM 0 HA THR A 7 5.696 11.777 -0.850 1.00 0.00 H new ATOM 0 HB THR A 7 5.568 14.256 -0.540 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.277 14.319 -3.407 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.609 14.795 -1.816 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.710 13.190 -1.053 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.376 13.328 -2.796 1.00 0.00 H new ATOM 110 N THR A 8 3.468 13.032 0.143 1.00 0.00 N ATOM 111 CA THR A 8 2.133 13.203 0.685 1.00 0.00 C ATOM 112 C THR A 8 1.278 14.060 -0.251 1.00 0.00 C ATOM 113 O THR A 8 0.094 13.785 -0.460 1.00 0.00 O ATOM 114 CB THR A 8 2.190 13.848 2.081 1.00 0.00 C ATOM 115 OG1 THR A 8 3.218 13.223 2.865 1.00 0.00 O ATOM 116 CG2 THR A 8 0.856 13.710 2.795 1.00 0.00 C ATOM 0 H THR A 8 4.215 13.368 0.750 1.00 0.00 H new ATOM 0 HA THR A 8 1.677 12.217 0.774 1.00 0.00 H new ATOM 0 HB THR A 8 2.413 14.908 1.959 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.251 13.638 3.752 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.921 14.173 3.780 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.079 14.204 2.212 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.610 12.654 2.906 1.00 0.00 H new ATOM 124 N GLU A 9 1.897 15.083 -0.831 1.00 0.00 N ATOM 125 CA GLU A 9 1.225 15.956 -1.779 1.00 0.00 C ATOM 126 C GLU A 9 0.741 15.166 -2.993 1.00 0.00 C ATOM 127 O GLU A 9 -0.405 15.312 -3.421 1.00 0.00 O ATOM 128 CB GLU A 9 2.150 17.093 -2.225 1.00 0.00 C ATOM 129 CG GLU A 9 2.617 17.994 -1.091 1.00 0.00 C ATOM 130 CD GLU A 9 3.787 17.421 -0.314 1.00 0.00 C ATOM 131 OE1 GLU A 9 4.943 17.766 -0.634 1.00 0.00 O ATOM 132 OE2 GLU A 9 3.558 16.630 0.625 1.00 0.00 O ATOM 0 H GLU A 9 2.872 15.327 -0.657 1.00 0.00 H new ATOM 0 HA GLU A 9 0.360 16.390 -1.278 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.023 16.665 -2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.631 17.700 -2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.901 18.964 -1.500 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.786 18.167 -0.408 1.00 0.00 H new ATOM 139 N ASP A 10 1.613 14.318 -3.534 1.00 0.00 N ATOM 140 CA ASP A 10 1.250 13.460 -4.658 1.00 0.00 C ATOM 141 C ASP A 10 0.141 12.506 -4.249 1.00 0.00 C ATOM 142 O ASP A 10 -0.802 12.271 -5.003 1.00 0.00 O ATOM 143 CB ASP A 10 2.445 12.639 -5.164 1.00 0.00 C ATOM 144 CG ASP A 10 3.590 13.487 -5.677 1.00 0.00 C ATOM 145 OD1 ASP A 10 4.515 13.788 -4.892 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.579 13.838 -6.876 1.00 0.00 O ATOM 0 H ASP A 10 2.575 14.207 -3.212 1.00 0.00 H new ATOM 0 HA ASP A 10 0.913 14.113 -5.463 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.808 12.005 -4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.108 11.977 -5.962 1.00 0.00 H new ATOM 151 N LEU A 11 0.257 11.979 -3.036 1.00 0.00 N ATOM 152 CA LEU A 11 -0.684 10.995 -2.528 1.00 0.00 C ATOM 153 C LEU A 11 -2.106 11.545 -2.504 1.00 0.00 C ATOM 154 O LEU A 11 -3.044 10.862 -2.905 1.00 0.00 O ATOM 155 CB LEU A 11 -0.263 10.517 -1.136 1.00 0.00 C ATOM 156 CG LEU A 11 -1.205 9.507 -0.494 1.00 0.00 C ATOM 157 CD1 LEU A 11 -1.264 8.245 -1.334 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.757 9.191 0.924 1.00 0.00 C ATOM 0 H LEU A 11 1.002 12.221 -2.382 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.672 10.141 -3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.730 10.073 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.180 11.383 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.205 9.938 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.940 7.529 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.627 8.489 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.267 7.809 -1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.441 8.468 1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.250 8.774 0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.758 10.105 1.518 1.00 0.00 H new ATOM 170 N GLN A 12 -2.251 12.795 -2.074 1.00 0.00 N ATOM 171 CA GLN A 12 -3.565 13.425 -1.966 1.00 0.00 C ATOM 172 C GLN A 12 -4.258 13.475 -3.325 1.00 0.00 C ATOM 173 O GLN A 12 -5.482 13.343 -3.424 1.00 0.00 O ATOM 174 CB GLN A 12 -3.427 14.836 -1.399 1.00 0.00 C ATOM 175 CG GLN A 12 -2.909 14.878 0.028 1.00 0.00 C ATOM 176 CD GLN A 12 -2.732 16.292 0.539 1.00 0.00 C ATOM 177 OE1 GLN A 12 -1.535 16.833 0.380 1.00 0.00 O flip ATOM 178 NE2 GLN A 12 -3.661 16.889 1.081 1.00 0.00 N flip ATOM 0 H GLN A 12 -1.474 13.393 -1.794 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.175 12.826 -1.290 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.754 15.409 -2.037 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.398 15.329 -1.437 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.602 14.344 0.678 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.955 14.354 0.080 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.569 16.435 1.183 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.524 17.838 1.428 1.00 0.00 H new ATOM 187 N ARG A 13 -3.460 13.650 -4.367 1.00 0.00 N ATOM 188 CA ARG A 13 -3.964 13.687 -5.729 1.00 0.00 C ATOM 189 C ARG A 13 -4.552 12.335 -6.122 1.00 0.00 C ATOM 190 O ARG A 13 -5.642 12.258 -6.690 1.00 0.00 O ATOM 191 CB ARG A 13 -2.832 14.070 -6.685 1.00 0.00 C ATOM 192 CG ARG A 13 -3.228 14.074 -8.153 1.00 0.00 C ATOM 193 CD ARG A 13 -2.095 14.575 -9.035 1.00 0.00 C ATOM 194 NE ARG A 13 -0.885 13.755 -8.924 1.00 0.00 N ATOM 195 CZ ARG A 13 0.270 14.191 -8.411 1.00 0.00 C ATOM 196 NH1 ARG A 13 0.360 15.416 -7.908 1.00 0.00 N ATOM 197 NH2 ARG A 13 1.334 13.395 -8.397 1.00 0.00 N ATOM 0 H ARG A 13 -2.450 13.770 -4.292 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.756 14.434 -5.791 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.465 15.061 -6.417 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.004 13.375 -6.546 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.509 13.066 -8.458 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.105 14.705 -8.292 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.427 14.587 -10.073 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.858 15.604 -8.764 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.927 12.792 -9.259 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.455 16.030 -7.912 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.244 15.743 -7.518 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.270 12.451 -8.778 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.215 13.728 -8.006 1.00 0.00 H new ATOM 211 N TYR A 14 -3.842 11.265 -5.783 1.00 0.00 N ATOM 212 CA TYR A 14 -4.237 9.930 -6.202 1.00 0.00 C ATOM 213 C TYR A 14 -5.455 9.434 -5.436 1.00 0.00 C ATOM 214 O TYR A 14 -6.298 8.737 -6.003 1.00 0.00 O ATOM 215 CB TYR A 14 -3.076 8.948 -6.054 1.00 0.00 C ATOM 216 CG TYR A 14 -1.849 9.372 -6.830 1.00 0.00 C ATOM 217 CD1 TYR A 14 -1.942 9.684 -8.180 1.00 0.00 C ATOM 218 CD2 TYR A 14 -0.607 9.469 -6.221 1.00 0.00 C ATOM 219 CE1 TYR A 14 -0.834 10.086 -8.897 1.00 0.00 C ATOM 220 CE2 TYR A 14 0.508 9.867 -6.932 1.00 0.00 C ATOM 221 CZ TYR A 14 0.387 10.176 -8.269 1.00 0.00 C ATOM 222 OH TYR A 14 1.494 10.586 -8.979 1.00 0.00 O ATOM 0 H TYR A 14 -2.992 11.298 -5.220 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.511 9.990 -7.255 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.819 8.853 -4.999 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.394 7.963 -6.395 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.898 9.611 -8.677 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.510 9.229 -5.172 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.924 10.329 -9.945 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.469 9.936 -6.443 1.00 0.00 H new ATOM 0 HH TYR A 14 2.276 10.597 -8.388 1.00 0.00 H new ATOM 232 N ARG A 15 -5.567 9.799 -4.159 1.00 0.00 N ATOM 233 CA ARG A 15 -6.725 9.388 -3.376 1.00 0.00 C ATOM 234 C ARG A 15 -7.978 10.008 -3.969 1.00 0.00 C ATOM 235 O ARG A 15 -9.012 9.358 -4.065 1.00 0.00 O ATOM 236 CB ARG A 15 -6.627 9.792 -1.899 1.00 0.00 C ATOM 237 CG ARG A 15 -5.244 9.717 -1.278 1.00 0.00 C ATOM 238 CD ARG A 15 -5.332 9.869 0.238 1.00 0.00 C ATOM 239 NE ARG A 15 -6.289 10.907 0.633 1.00 0.00 N ATOM 240 CZ ARG A 15 -7.152 10.782 1.643 1.00 0.00 C ATOM 241 NH1 ARG A 15 -7.172 9.676 2.383 1.00 0.00 N ATOM 242 NH2 ARG A 15 -8.005 11.766 1.907 1.00 0.00 N ATOM 0 H ARG A 15 -4.885 10.366 -3.656 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.763 8.299 -3.416 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.994 10.813 -1.797 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.297 9.154 -1.323 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.778 8.764 -1.528 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.610 10.501 -1.692 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.626 8.918 0.681 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.347 10.114 0.635 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.296 11.779 0.103 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.524 8.915 2.180 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.835 9.590 3.153 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -7.998 12.613 1.338 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.666 11.674 2.678 1.00 0.00 H new ATOM 256 N THR A 16 -7.857 11.257 -4.398 1.00 0.00 N ATOM 257 CA THR A 16 -8.976 11.998 -4.948 1.00 0.00 C ATOM 258 C THR A 16 -9.560 11.293 -6.174 1.00 0.00 C ATOM 259 O THR A 16 -10.769 11.058 -6.260 1.00 0.00 O ATOM 260 CB THR A 16 -8.522 13.420 -5.325 1.00 0.00 C ATOM 261 OG1 THR A 16 -8.212 14.163 -4.138 1.00 0.00 O ATOM 262 CG2 THR A 16 -9.582 14.143 -6.136 1.00 0.00 C ATOM 0 H THR A 16 -6.982 11.781 -4.373 1.00 0.00 H new ATOM 0 HA THR A 16 -9.756 12.053 -4.188 1.00 0.00 H new ATOM 0 HB THR A 16 -7.628 13.339 -5.944 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.301 13.949 -3.847 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.230 15.144 -6.385 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.779 13.589 -7.053 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.500 14.217 -5.552 1.00 0.00 H new ATOM 270 N GLU A 17 -8.686 10.943 -7.108 1.00 0.00 N ATOM 271 CA GLU A 17 -9.104 10.283 -8.339 1.00 0.00 C ATOM 272 C GLU A 17 -9.705 8.909 -8.047 1.00 0.00 C ATOM 273 O GLU A 17 -10.746 8.551 -8.598 1.00 0.00 O ATOM 274 CB GLU A 17 -7.926 10.129 -9.306 1.00 0.00 C ATOM 275 CG GLU A 17 -7.050 11.370 -9.408 1.00 0.00 C ATOM 276 CD GLU A 17 -7.783 12.547 -10.018 1.00 0.00 C ATOM 277 OE1 GLU A 17 -8.365 13.354 -9.265 1.00 0.00 O ATOM 278 OE2 GLU A 17 -7.780 12.669 -11.262 1.00 0.00 O ATOM 0 H GLU A 17 -7.681 11.105 -7.037 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.864 10.911 -8.803 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.312 9.287 -8.985 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.310 9.884 -10.296 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.694 11.643 -8.414 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.170 11.142 -10.010 1.00 0.00 H new ATOM 285 N CYS A 18 -9.060 8.148 -7.172 1.00 0.00 N ATOM 286 CA CYS A 18 -9.532 6.807 -6.835 1.00 0.00 C ATOM 287 C CYS A 18 -10.863 6.855 -6.100 1.00 0.00 C ATOM 288 O CYS A 18 -11.706 5.975 -6.276 1.00 0.00 O ATOM 289 CB CYS A 18 -8.499 6.056 -5.997 1.00 0.00 C ATOM 290 SG CYS A 18 -6.970 5.664 -6.906 1.00 0.00 S ATOM 0 H CYS A 18 -8.211 8.433 -6.683 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.678 6.271 -7.773 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.248 6.655 -5.122 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.943 5.130 -5.632 1.00 0.00 H new ATOM 295 N VAL A 19 -11.062 7.891 -5.298 1.00 0.00 N ATOM 296 CA VAL A 19 -12.286 8.035 -4.535 1.00 0.00 C ATOM 297 C VAL A 19 -13.469 8.264 -5.460 1.00 0.00 C ATOM 298 O VAL A 19 -14.471 7.554 -5.392 1.00 0.00 O ATOM 299 CB VAL A 19 -12.186 9.186 -3.508 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.564 9.690 -3.107 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.413 8.721 -2.285 1.00 0.00 C ATOM 0 H VAL A 19 -10.388 8.644 -5.161 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.438 7.106 -3.985 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.653 10.015 -3.974 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.459 10.499 -2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -14.088 10.057 -3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -14.134 8.875 -2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.346 9.537 -1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.928 7.876 -1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.410 8.417 -2.583 1.00 0.00 H new ATOM 311 N SER A 20 -13.330 9.240 -6.336 1.00 0.00 N ATOM 312 CA SER A 20 -14.389 9.588 -7.263 1.00 0.00 C ATOM 313 C SER A 20 -14.656 8.458 -8.263 1.00 0.00 C ATOM 314 O SER A 20 -15.806 8.185 -8.610 1.00 0.00 O ATOM 315 CB SER A 20 -14.019 10.882 -7.982 1.00 0.00 C ATOM 316 OG SER A 20 -12.688 10.831 -8.473 1.00 0.00 O ATOM 0 H SER A 20 -12.488 9.809 -6.425 1.00 0.00 H new ATOM 0 HA SER A 20 -15.312 9.738 -6.703 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.709 11.052 -8.809 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.126 11.725 -7.299 1.00 0.00 H new ATOM 0 HG SER A 20 -12.064 11.052 -7.750 1.00 0.00 H new ATOM 322 N SER A 21 -13.596 7.784 -8.697 1.00 0.00 N ATOM 323 CA SER A 21 -13.715 6.723 -9.689 1.00 0.00 C ATOM 324 C SER A 21 -14.358 5.476 -9.081 1.00 0.00 C ATOM 325 O SER A 21 -15.262 4.886 -9.669 1.00 0.00 O ATOM 326 CB SER A 21 -12.331 6.389 -10.249 1.00 0.00 C ATOM 327 OG SER A 21 -12.405 5.462 -11.321 1.00 0.00 O ATOM 0 H SER A 21 -12.643 7.955 -8.376 1.00 0.00 H new ATOM 0 HA SER A 21 -14.358 7.070 -10.498 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.848 7.304 -10.592 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.707 5.978 -9.455 1.00 0.00 H new ATOM 0 HG SER A 21 -11.503 5.274 -11.654 1.00 0.00 H new ATOM 333 N LEU A 22 -13.898 5.083 -7.897 1.00 0.00 N ATOM 334 CA LEU A 22 -14.413 3.888 -7.240 1.00 0.00 C ATOM 335 C LEU A 22 -15.654 4.191 -6.403 1.00 0.00 C ATOM 336 O LEU A 22 -16.151 3.324 -5.682 1.00 0.00 O ATOM 337 CB LEU A 22 -13.325 3.268 -6.367 1.00 0.00 C ATOM 338 CG LEU A 22 -12.205 2.582 -7.141 1.00 0.00 C ATOM 339 CD1 LEU A 22 -11.059 2.232 -6.212 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.730 1.335 -7.827 1.00 0.00 C ATOM 0 H LEU A 22 -13.172 5.573 -7.375 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.706 3.180 -8.015 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.891 4.048 -5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.785 2.541 -5.698 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.835 3.269 -7.902 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.267 1.743 -6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.670 3.142 -5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.415 1.559 -5.432 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.921 0.854 -8.376 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -13.121 0.645 -7.079 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.526 1.608 -8.519 1.00 0.00 H new ATOM 352 N ASN A 23 -16.145 5.427 -6.514 1.00 0.00 N ATOM 353 CA ASN A 23 -17.337 5.878 -5.783 1.00 0.00 C ATOM 354 C ASN A 23 -17.199 5.652 -4.279 1.00 0.00 C ATOM 355 O ASN A 23 -18.173 5.332 -3.601 1.00 0.00 O ATOM 356 CB ASN A 23 -18.594 5.178 -6.303 1.00 0.00 C ATOM 357 CG ASN A 23 -18.914 5.546 -7.738 1.00 0.00 C ATOM 358 OD1 ASN A 23 -18.460 4.891 -8.677 1.00 0.00 O ATOM 359 ND2 ASN A 23 -19.694 6.596 -7.917 1.00 0.00 N ATOM 0 H ASN A 23 -15.731 6.143 -7.110 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.431 6.950 -5.956 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.461 4.099 -6.229 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -19.440 5.439 -5.667 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -19.942 6.892 -8.861 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -20.049 7.111 -7.111 1.00 0.00 H new ATOM 366 N ILE A 24 -15.985 5.817 -3.769 1.00 0.00 N ATOM 367 CA ILE A 24 -15.710 5.667 -2.348 1.00 0.00 C ATOM 368 C ILE A 24 -16.463 6.725 -1.549 1.00 0.00 C ATOM 369 O ILE A 24 -16.312 7.922 -1.802 1.00 0.00 O ATOM 370 CB ILE A 24 -14.201 5.803 -2.052 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.382 4.869 -2.954 1.00 0.00 C ATOM 372 CG2 ILE A 24 -13.918 5.509 -0.583 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.652 3.394 -2.728 1.00 0.00 C ATOM 0 H ILE A 24 -15.166 6.058 -4.328 1.00 0.00 H new ATOM 0 HA ILE A 24 -16.042 4.671 -2.055 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.903 6.830 -2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.594 5.110 -3.996 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.322 5.062 -2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.850 5.609 -0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.467 6.214 0.041 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.235 4.493 -0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.034 2.803 -3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.412 3.134 -1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.704 3.183 -2.920 1.00 0.00 H new ATOM 385 N PRO A 25 -17.295 6.298 -0.589 1.00 0.00 N ATOM 386 CA PRO A 25 -18.034 7.215 0.274 1.00 0.00 C ATOM 387 C PRO A 25 -17.093 8.062 1.122 1.00 0.00 C ATOM 388 O PRO A 25 -16.098 7.568 1.663 1.00 0.00 O ATOM 389 CB PRO A 25 -18.888 6.305 1.156 1.00 0.00 C ATOM 390 CG PRO A 25 -18.849 4.960 0.520 1.00 0.00 C ATOM 391 CD PRO A 25 -17.569 4.892 -0.264 1.00 0.00 C ATOM 0 HA PRO A 25 -18.632 7.922 -0.301 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.496 6.267 2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -19.911 6.675 1.223 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.883 4.174 1.274 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.711 4.815 -0.132 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.762 4.450 0.321 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.680 4.286 -1.163 1.00 0.00 H new ATOM 399 N ALA A 26 -17.429 9.346 1.215 1.00 0.00 N ATOM 400 CA ALA A 26 -16.580 10.352 1.851 1.00 0.00 C ATOM 401 C ALA A 26 -16.189 9.984 3.276 1.00 0.00 C ATOM 402 O ALA A 26 -15.099 10.331 3.726 1.00 0.00 O ATOM 403 CB ALA A 26 -17.290 11.691 1.844 1.00 0.00 C ATOM 0 H ALA A 26 -18.304 9.721 0.849 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.657 10.406 1.273 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.657 12.441 2.318 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.496 11.988 0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -18.228 11.608 2.393 1.00 0.00 H new ATOM 409 N ASP A 27 -17.076 9.290 3.982 1.00 0.00 N ATOM 410 CA ASP A 27 -16.811 8.905 5.369 1.00 0.00 C ATOM 411 C ASP A 27 -15.549 8.046 5.475 1.00 0.00 C ATOM 412 O ASP A 27 -14.709 8.281 6.348 1.00 0.00 O ATOM 413 CB ASP A 27 -18.017 8.188 5.990 1.00 0.00 C ATOM 414 CG ASP A 27 -18.259 6.800 5.435 1.00 0.00 C ATOM 415 OD1 ASP A 27 -17.974 5.814 6.150 1.00 0.00 O ATOM 416 OD2 ASP A 27 -18.739 6.687 4.289 1.00 0.00 O ATOM 0 H ASP A 27 -17.980 8.983 3.622 1.00 0.00 H new ATOM 0 HA ASP A 27 -16.641 9.821 5.935 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -17.870 8.117 7.068 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.909 8.793 5.830 1.00 0.00 H new ATOM 421 N TYR A 28 -15.402 7.067 4.580 1.00 0.00 N ATOM 422 CA TYR A 28 -14.183 6.268 4.519 1.00 0.00 C ATOM 423 C TYR A 28 -12.974 7.150 4.236 1.00 0.00 C ATOM 424 O TYR A 28 -11.925 6.996 4.855 1.00 0.00 O ATOM 425 CB TYR A 28 -14.292 5.198 3.430 1.00 0.00 C ATOM 426 CG TYR A 28 -15.119 3.992 3.820 1.00 0.00 C ATOM 427 CD1 TYR A 28 -16.493 3.984 3.632 1.00 0.00 C ATOM 428 CD2 TYR A 28 -14.524 2.856 4.360 1.00 0.00 C ATOM 429 CE1 TYR A 28 -17.253 2.882 3.968 1.00 0.00 C ATOM 430 CE2 TYR A 28 -15.280 1.750 4.702 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.644 1.770 4.502 1.00 0.00 C ATOM 432 OH TYR A 28 -17.404 0.671 4.835 1.00 0.00 O ATOM 0 H TYR A 28 -16.110 6.811 3.892 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.055 5.784 5.487 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -14.726 5.648 2.537 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.289 4.865 3.163 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -16.977 4.855 3.215 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -13.455 2.838 4.514 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -18.322 2.893 3.812 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -14.805 0.876 5.123 1.00 0.00 H new ATOM 0 HH TYR A 28 -16.824 -0.030 5.198 1.00 0.00 H new ATOM 442 N VAL A 29 -13.147 8.090 3.310 1.00 0.00 N ATOM 443 CA VAL A 29 -12.061 8.946 2.849 1.00 0.00 C ATOM 444 C VAL A 29 -11.426 9.724 4.000 1.00 0.00 C ATOM 445 O VAL A 29 -10.198 9.774 4.127 1.00 0.00 O ATOM 446 CB VAL A 29 -12.553 9.927 1.776 1.00 0.00 C ATOM 447 CG1 VAL A 29 -11.401 10.764 1.250 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.228 9.170 0.649 1.00 0.00 C ATOM 0 H VAL A 29 -14.043 8.278 2.860 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.304 8.292 2.417 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.282 10.602 2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -11.769 11.453 0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.958 11.330 2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.647 10.110 0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.574 9.875 -0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.517 8.476 0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.079 8.614 1.043 1.00 0.00 H new ATOM 458 N GLU A 30 -12.266 10.321 4.841 1.00 0.00 N ATOM 459 CA GLU A 30 -11.782 11.066 5.998 1.00 0.00 C ATOM 460 C GLU A 30 -11.053 10.134 6.956 1.00 0.00 C ATOM 461 O GLU A 30 -10.034 10.499 7.543 1.00 0.00 O ATOM 462 CB GLU A 30 -12.941 11.733 6.738 1.00 0.00 C ATOM 463 CG GLU A 30 -14.002 12.298 5.819 1.00 0.00 C ATOM 464 CD GLU A 30 -15.125 12.970 6.577 1.00 0.00 C ATOM 465 OE1 GLU A 30 -15.960 12.252 7.164 1.00 0.00 O ATOM 466 OE2 GLU A 30 -15.187 14.216 6.585 1.00 0.00 O ATOM 0 H GLU A 30 -13.281 10.303 4.743 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.097 11.835 5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.401 11.005 7.406 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.548 12.535 7.363 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.545 13.018 5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.411 11.496 5.205 1.00 0.00 H new ATOM 473 N LYS A 31 -11.572 8.922 7.082 1.00 0.00 N ATOM 474 CA LYS A 31 -11.067 7.962 8.044 1.00 0.00 C ATOM 475 C LYS A 31 -9.722 7.360 7.603 1.00 0.00 C ATOM 476 O LYS A 31 -8.930 6.915 8.442 1.00 0.00 O ATOM 477 CB LYS A 31 -12.137 6.887 8.295 1.00 0.00 C ATOM 478 CG LYS A 31 -11.726 5.458 7.976 1.00 0.00 C ATOM 479 CD LYS A 31 -12.814 4.474 8.391 1.00 0.00 C ATOM 480 CE LYS A 31 -13.081 4.513 9.896 1.00 0.00 C ATOM 481 NZ LYS A 31 -14.163 3.573 10.291 1.00 0.00 N ATOM 0 H LYS A 31 -12.352 8.580 6.521 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.864 8.474 8.985 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.434 6.934 9.343 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.018 7.133 7.702 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.531 5.361 6.908 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.797 5.218 8.493 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.734 4.704 7.854 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.520 3.465 8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.167 4.261 10.434 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.355 5.526 10.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.314 3.629 11.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.042 3.829 9.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.891 2.603 10.034 1.00 0.00 H new ATOM 495 N PHE A 32 -9.447 7.373 6.295 1.00 0.00 N ATOM 496 CA PHE A 32 -8.174 6.879 5.782 1.00 0.00 C ATOM 497 C PHE A 32 -7.037 7.809 6.186 1.00 0.00 C ATOM 498 O PHE A 32 -5.912 7.365 6.424 1.00 0.00 O ATOM 499 CB PHE A 32 -8.189 6.747 4.256 1.00 0.00 C ATOM 500 CG PHE A 32 -9.215 5.788 3.717 1.00 0.00 C ATOM 501 CD1 PHE A 32 -9.930 6.093 2.569 1.00 0.00 C ATOM 502 CD2 PHE A 32 -9.454 4.578 4.346 1.00 0.00 C ATOM 503 CE1 PHE A 32 -10.861 5.208 2.060 1.00 0.00 C ATOM 504 CE2 PHE A 32 -10.386 3.693 3.843 1.00 0.00 C ATOM 505 CZ PHE A 32 -11.088 4.006 2.697 1.00 0.00 C ATOM 0 H PHE A 32 -10.087 7.719 5.580 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.018 5.891 6.216 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.368 7.731 3.822 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.202 6.426 3.923 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.757 7.033 2.067 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.905 4.324 5.241 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.410 5.457 1.164 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.566 2.755 4.347 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.813 3.311 2.300 1.00 0.00 H new ATOM 515 N LYS A 33 -7.337 9.100 6.282 1.00 0.00 N ATOM 516 CA LYS A 33 -6.326 10.091 6.624 1.00 0.00 C ATOM 517 C LYS A 33 -5.902 9.949 8.088 1.00 0.00 C ATOM 518 O LYS A 33 -4.830 10.408 8.478 1.00 0.00 O ATOM 519 CB LYS A 33 -6.838 11.505 6.348 1.00 0.00 C ATOM 520 CG LYS A 33 -5.711 12.521 6.237 1.00 0.00 C ATOM 521 CD LYS A 33 -6.208 13.886 5.782 1.00 0.00 C ATOM 522 CE LYS A 33 -6.698 13.857 4.343 1.00 0.00 C ATOM 523 NZ LYS A 33 -7.153 15.196 3.885 1.00 0.00 N ATOM 0 H LYS A 33 -8.270 9.483 6.128 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.453 9.915 5.996 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.415 11.505 5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.516 11.805 7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.217 12.620 7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.963 12.156 5.533 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.017 14.215 6.435 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.404 14.616 5.878 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.897 13.504 3.694 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.518 13.145 4.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.479 15.133 2.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.935 15.522 4.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.364 15.871 3.946 1.00 0.00 H new ATOM 537 N LYS A 34 -6.734 9.287 8.886 1.00 0.00 N ATOM 538 CA LYS A 34 -6.389 9.000 10.278 1.00 0.00 C ATOM 539 C LYS A 34 -5.590 7.706 10.365 1.00 0.00 C ATOM 540 O LYS A 34 -5.337 7.187 11.456 1.00 0.00 O ATOM 541 CB LYS A 34 -7.638 8.892 11.166 1.00 0.00 C ATOM 542 CG LYS A 34 -8.235 10.230 11.580 1.00 0.00 C ATOM 543 CD LYS A 34 -9.025 10.874 10.455 1.00 0.00 C ATOM 544 CE LYS A 34 -9.649 12.189 10.894 1.00 0.00 C ATOM 545 NZ LYS A 34 -10.530 12.757 9.842 1.00 0.00 N ATOM 0 H LYS A 34 -7.648 8.940 8.596 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.786 9.832 10.642 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.397 8.318 10.635 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.383 8.329 12.064 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.885 10.085 12.443 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.436 10.902 11.893 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.369 11.048 9.602 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.807 10.192 10.122 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.225 12.032 11.806 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.861 12.903 11.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.216 13.721 9.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.482 12.162 8.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.510 12.786 10.189 1.00 0.00 H new ATOM 559 N TRP A 35 -5.192 7.212 9.196 1.00 0.00 N ATOM 560 CA TRP A 35 -4.441 5.971 9.066 1.00 0.00 C ATOM 561 C TRP A 35 -5.216 4.775 9.609 1.00 0.00 C ATOM 562 O TRP A 35 -4.666 3.940 10.328 1.00 0.00 O ATOM 563 CB TRP A 35 -3.084 6.089 9.758 1.00 0.00 C ATOM 564 CG TRP A 35 -2.162 7.065 9.094 1.00 0.00 C ATOM 565 CD1 TRP A 35 -1.898 8.345 9.488 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.384 6.840 7.914 1.00 0.00 C ATOM 567 NE1 TRP A 35 -0.993 8.923 8.632 1.00 0.00 N ATOM 568 CE2 TRP A 35 -0.665 8.020 7.654 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.223 5.751 7.054 1.00 0.00 C ATOM 570 CZ2 TRP A 35 0.200 8.143 6.571 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.366 5.871 5.979 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.339 7.058 5.745 1.00 0.00 C ATOM 0 H TRP A 35 -5.385 7.668 8.304 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.280 5.799 8.002 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.237 6.392 10.794 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.609 5.108 9.780 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.336 8.832 10.347 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.624 9.871 8.711 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.760 4.830 7.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.742 9.059 6.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.237 5.035 5.307 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.005 7.120 4.897 1.00 0.00 H new ATOM 583 N GLU A 36 -6.493 4.687 9.262 1.00 0.00 N ATOM 584 CA GLU A 36 -7.308 3.552 9.663 1.00 0.00 C ATOM 585 C GLU A 36 -7.953 2.914 8.446 1.00 0.00 C ATOM 586 O GLU A 36 -8.836 3.499 7.817 1.00 0.00 O ATOM 587 CB GLU A 36 -8.370 3.980 10.673 1.00 0.00 C ATOM 588 CG GLU A 36 -7.786 4.530 11.959 1.00 0.00 C ATOM 589 CD GLU A 36 -8.833 4.789 13.017 1.00 0.00 C ATOM 590 OE1 GLU A 36 -9.496 5.841 12.962 1.00 0.00 O ATOM 591 OE2 GLU A 36 -8.993 3.937 13.914 1.00 0.00 O ATOM 0 H GLU A 36 -6.984 5.386 8.705 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.664 2.815 10.142 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.009 4.737 10.219 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.005 3.125 10.907 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.050 3.826 12.348 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.257 5.458 11.744 1.00 0.00 H new ATOM 598 N PHE A 37 -7.490 1.722 8.110 1.00 0.00 N ATOM 599 CA PHE A 37 -7.958 1.022 6.922 1.00 0.00 C ATOM 600 C PHE A 37 -8.711 -0.246 7.309 1.00 0.00 C ATOM 601 O PHE A 37 -8.101 -1.283 7.570 1.00 0.00 O ATOM 602 CB PHE A 37 -6.769 0.673 6.018 1.00 0.00 C ATOM 603 CG PHE A 37 -5.913 1.864 5.684 1.00 0.00 C ATOM 604 CD1 PHE A 37 -6.119 2.585 4.517 1.00 0.00 C ATOM 605 CD2 PHE A 37 -4.909 2.270 6.548 1.00 0.00 C ATOM 606 CE1 PHE A 37 -5.338 3.685 4.222 1.00 0.00 C ATOM 607 CE2 PHE A 37 -4.125 3.367 6.257 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.340 4.077 5.093 1.00 0.00 C ATOM 0 H PHE A 37 -6.786 1.215 8.646 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.640 1.676 6.379 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.155 -0.082 6.510 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.140 0.229 5.094 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.898 2.283 3.832 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.738 1.720 7.462 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.507 4.239 3.310 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.344 3.670 6.939 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.729 4.938 4.864 1.00 0.00 H new ATOM 618 N PRO A 38 -10.049 -0.170 7.382 1.00 0.00 N ATOM 619 CA PRO A 38 -10.892 -1.327 7.684 1.00 0.00 C ATOM 620 C PRO A 38 -10.749 -2.429 6.648 1.00 0.00 C ATOM 621 O PRO A 38 -10.552 -2.167 5.458 1.00 0.00 O ATOM 622 CB PRO A 38 -12.313 -0.763 7.660 1.00 0.00 C ATOM 623 CG PRO A 38 -12.141 0.699 7.868 1.00 0.00 C ATOM 624 CD PRO A 38 -10.847 1.046 7.189 1.00 0.00 C ATOM 0 HA PRO A 38 -10.619 -1.784 8.635 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.807 -0.973 6.711 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.928 -1.205 8.444 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.973 1.258 7.439 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.106 0.944 8.930 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -10.991 1.273 6.133 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.373 1.918 7.640 1.00 0.00 H new ATOM 632 N GLU A 39 -10.854 -3.657 7.114 1.00 0.00 N ATOM 633 CA GLU A 39 -10.756 -4.817 6.253 1.00 0.00 C ATOM 634 C GLU A 39 -12.082 -5.031 5.529 1.00 0.00 C ATOM 635 O GLU A 39 -12.915 -5.845 5.933 1.00 0.00 O ATOM 636 CB GLU A 39 -10.357 -6.035 7.087 1.00 0.00 C ATOM 637 CG GLU A 39 -10.100 -7.296 6.282 1.00 0.00 C ATOM 638 CD GLU A 39 -9.413 -8.364 7.104 1.00 0.00 C ATOM 639 OE1 GLU A 39 -8.187 -8.549 6.942 1.00 0.00 O ATOM 640 OE2 GLU A 39 -10.085 -9.007 7.935 1.00 0.00 O ATOM 0 H GLU A 39 -11.009 -3.878 8.098 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.987 -4.663 5.496 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.458 -5.792 7.654 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.146 -6.237 7.812 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.046 -7.683 5.903 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.485 -7.054 5.416 1.00 0.00 H new ATOM 647 N ASP A 40 -12.268 -4.268 4.460 1.00 0.00 N ATOM 648 CA ASP A 40 -13.520 -4.271 3.708 1.00 0.00 C ATOM 649 C ASP A 40 -13.249 -4.034 2.227 1.00 0.00 C ATOM 650 O ASP A 40 -12.311 -3.308 1.890 1.00 0.00 O ATOM 651 CB ASP A 40 -14.479 -3.191 4.243 1.00 0.00 C ATOM 652 CG ASP A 40 -15.772 -3.104 3.453 1.00 0.00 C ATOM 653 OD1 ASP A 40 -15.803 -2.405 2.420 1.00 0.00 O ATOM 654 OD2 ASP A 40 -16.770 -3.731 3.867 1.00 0.00 O ATOM 0 H ASP A 40 -11.561 -3.633 4.090 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.989 -5.247 3.832 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.711 -3.403 5.287 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.978 -2.223 4.218 1.00 0.00 H new ATOM 659 N ASP A 41 -14.052 -4.643 1.360 1.00 0.00 N ATOM 660 CA ASP A 41 -13.847 -4.561 -0.096 1.00 0.00 C ATOM 661 C ASP A 41 -13.622 -3.118 -0.562 1.00 0.00 C ATOM 662 O ASP A 41 -12.725 -2.849 -1.371 1.00 0.00 O ATOM 663 CB ASP A 41 -15.048 -5.160 -0.833 1.00 0.00 C ATOM 664 CG ASP A 41 -14.870 -5.165 -2.339 1.00 0.00 C ATOM 665 OD1 ASP A 41 -15.264 -4.176 -2.993 1.00 0.00 O ATOM 666 OD2 ASP A 41 -14.360 -6.168 -2.876 1.00 0.00 O ATOM 0 H ASP A 41 -14.858 -5.204 1.636 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.949 -5.132 -0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -15.208 -6.181 -0.487 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -15.944 -4.593 -0.579 1.00 0.00 H new ATOM 671 N THR A 42 -14.418 -2.198 -0.021 1.00 0.00 N ATOM 672 CA THR A 42 -14.347 -0.785 -0.379 1.00 0.00 C ATOM 673 C THR A 42 -12.919 -0.247 -0.248 1.00 0.00 C ATOM 674 O THR A 42 -12.332 0.238 -1.221 1.00 0.00 O ATOM 675 CB THR A 42 -15.279 0.033 0.528 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.558 -0.605 0.610 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.439 1.447 0.003 1.00 0.00 C ATOM 0 H THR A 42 -15.130 -2.412 0.678 1.00 0.00 H new ATOM 0 HA THR A 42 -14.660 -0.690 -1.419 1.00 0.00 H new ATOM 0 HB THR A 42 -14.835 0.085 1.522 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.589 -1.173 1.408 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.103 2.007 0.662 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.465 1.935 -0.030 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.864 1.417 -1.000 1.00 0.00 H new ATOM 685 N THR A 43 -12.373 -0.358 0.956 1.00 0.00 N ATOM 686 CA THR A 43 -11.020 0.094 1.248 1.00 0.00 C ATOM 687 C THR A 43 -9.990 -0.633 0.379 1.00 0.00 C ATOM 688 O THR A 43 -8.978 -0.058 -0.018 1.00 0.00 O ATOM 689 CB THR A 43 -10.685 -0.154 2.730 1.00 0.00 C ATOM 690 OG1 THR A 43 -11.734 0.368 3.557 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.360 0.495 3.112 1.00 0.00 C ATOM 0 H THR A 43 -12.856 -0.764 1.757 1.00 0.00 H new ATOM 0 HA THR A 43 -10.976 1.161 1.029 1.00 0.00 H new ATOM 0 HB THR A 43 -10.595 -1.229 2.883 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.785 -0.151 4.387 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.151 0.303 4.164 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.560 0.077 2.501 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.420 1.570 2.945 1.00 0.00 H new ATOM 699 N MET A 44 -10.274 -1.890 0.067 1.00 0.00 N ATOM 700 CA MET A 44 -9.325 -2.740 -0.641 1.00 0.00 C ATOM 701 C MET A 44 -9.102 -2.274 -2.075 1.00 0.00 C ATOM 702 O MET A 44 -7.962 -2.069 -2.493 1.00 0.00 O ATOM 703 CB MET A 44 -9.798 -4.190 -0.622 1.00 0.00 C ATOM 704 CG MET A 44 -9.906 -4.758 0.779 1.00 0.00 C ATOM 705 SD MET A 44 -10.444 -6.474 0.801 1.00 0.00 S ATOM 706 CE MET A 44 -10.426 -6.776 2.564 1.00 0.00 C ATOM 0 H MET A 44 -11.158 -2.346 0.294 1.00 0.00 H new ATOM 0 HA MET A 44 -8.369 -2.668 -0.122 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.770 -4.256 -1.111 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.107 -4.800 -1.203 1.00 0.00 H new ATOM 0 HG2 MET A 44 -8.937 -4.680 1.272 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.607 -4.156 1.356 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.240 -7.451 2.826 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.475 -7.228 2.846 1.00 0.00 H new ATOM 0 HE3 MET A 44 -10.552 -5.833 3.096 1.00 0.00 H new ATOM 716 N CYS A 45 -10.180 -2.104 -2.831 1.00 0.00 N ATOM 717 CA CYS A 45 -10.065 -1.628 -4.206 1.00 0.00 C ATOM 718 C CYS A 45 -9.498 -0.216 -4.230 1.00 0.00 C ATOM 719 O CYS A 45 -8.797 0.164 -5.168 1.00 0.00 O ATOM 720 CB CYS A 45 -11.413 -1.676 -4.932 1.00 0.00 C ATOM 721 SG CYS A 45 -12.040 -3.364 -5.208 1.00 0.00 S ATOM 0 H CYS A 45 -11.134 -2.286 -2.521 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.381 -2.293 -4.734 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.147 -1.116 -4.353 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.315 -1.173 -5.894 1.00 0.00 H new ATOM 726 N TYR A 46 -9.789 0.547 -3.181 1.00 0.00 N ATOM 727 CA TYR A 46 -9.253 1.888 -3.038 1.00 0.00 C ATOM 728 C TYR A 46 -7.731 1.847 -2.966 1.00 0.00 C ATOM 729 O TYR A 46 -7.047 2.555 -3.703 1.00 0.00 O ATOM 730 CB TYR A 46 -9.846 2.544 -1.790 1.00 0.00 C ATOM 731 CG TYR A 46 -9.107 3.784 -1.340 1.00 0.00 C ATOM 732 CD1 TYR A 46 -8.353 3.777 -0.172 1.00 0.00 C ATOM 733 CD2 TYR A 46 -9.166 4.960 -2.078 1.00 0.00 C ATOM 734 CE1 TYR A 46 -7.680 4.906 0.248 1.00 0.00 C ATOM 735 CE2 TYR A 46 -8.494 6.091 -1.664 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.756 6.060 -0.501 1.00 0.00 C ATOM 737 OH TYR A 46 -7.093 7.189 -0.089 1.00 0.00 O ATOM 0 H TYR A 46 -10.397 0.254 -2.416 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.528 2.483 -3.909 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.886 2.804 -1.988 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.848 1.819 -0.976 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.293 2.873 0.416 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.746 4.989 -2.988 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.098 4.885 1.157 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.546 6.997 -2.249 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.824 7.087 0.848 1.00 0.00 H new ATOM 747 N ILE A 47 -7.214 0.992 -2.089 1.00 0.00 N ATOM 748 CA ILE A 47 -5.775 0.824 -1.924 1.00 0.00 C ATOM 749 C ILE A 47 -5.123 0.386 -3.233 1.00 0.00 C ATOM 750 O ILE A 47 -4.051 0.867 -3.592 1.00 0.00 O ATOM 751 CB ILE A 47 -5.452 -0.200 -0.809 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.866 0.352 0.568 1.00 0.00 C ATOM 753 CG2 ILE A 47 -3.973 -0.582 -0.817 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.203 1.667 0.934 1.00 0.00 C ATOM 0 H ILE A 47 -7.776 0.400 -1.477 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.367 1.792 -1.633 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.028 -1.104 -1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.948 0.486 0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.626 -0.388 1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.779 -1.302 -0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.717 -1.026 -1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.366 0.309 -0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.548 1.987 1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.121 1.536 0.954 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.463 2.424 0.194 1.00 0.00 H new ATOM 766 N LYS A 48 -5.792 -0.506 -3.953 1.00 0.00 N ATOM 767 CA LYS A 48 -5.257 -1.039 -5.195 1.00 0.00 C ATOM 768 C LYS A 48 -5.109 0.074 -6.229 1.00 0.00 C ATOM 769 O LYS A 48 -4.058 0.220 -6.852 1.00 0.00 O ATOM 770 CB LYS A 48 -6.163 -2.158 -5.724 1.00 0.00 C ATOM 771 CG LYS A 48 -5.514 -3.029 -6.793 1.00 0.00 C ATOM 772 CD LYS A 48 -5.727 -2.495 -8.202 1.00 0.00 C ATOM 773 CE LYS A 48 -7.160 -2.695 -8.665 1.00 0.00 C ATOM 774 NZ LYS A 48 -7.319 -2.405 -10.112 1.00 0.00 N ATOM 0 H LYS A 48 -6.708 -0.875 -3.696 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.270 -1.459 -5.003 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.466 -2.790 -4.890 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.070 -1.714 -6.134 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.445 -3.102 -6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.920 -4.039 -6.727 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.479 -1.434 -8.231 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.048 -3.000 -8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.466 -3.722 -8.465 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.821 -2.047 -8.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.325 -2.253 -10.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.780 -1.550 -10.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.964 -3.209 -10.668 1.00 0.00 H new ATOM 788 N CYS A 49 -6.170 0.855 -6.400 1.00 0.00 N ATOM 789 CA CYS A 49 -6.154 1.986 -7.324 1.00 0.00 C ATOM 790 C CYS A 49 -5.052 2.984 -6.969 1.00 0.00 C ATOM 791 O CYS A 49 -4.285 3.410 -7.836 1.00 0.00 O ATOM 792 CB CYS A 49 -7.518 2.683 -7.325 1.00 0.00 C ATOM 793 SG CYS A 49 -7.557 4.257 -8.251 1.00 0.00 S ATOM 0 H CYS A 49 -7.055 0.726 -5.910 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.946 1.601 -8.322 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.259 2.006 -7.751 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.816 2.874 -6.294 1.00 0.00 H new ATOM 798 N VAL A 50 -4.967 3.341 -5.688 1.00 0.00 N ATOM 799 CA VAL A 50 -4.005 4.323 -5.221 1.00 0.00 C ATOM 800 C VAL A 50 -2.577 3.845 -5.447 1.00 0.00 C ATOM 801 O VAL A 50 -1.750 4.560 -6.013 1.00 0.00 O ATOM 802 CB VAL A 50 -4.226 4.633 -3.727 1.00 0.00 C ATOM 803 CG1 VAL A 50 -3.117 5.502 -3.170 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.564 5.313 -3.532 1.00 0.00 C ATOM 0 H VAL A 50 -5.562 2.957 -4.953 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.157 5.235 -5.798 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.216 3.688 -3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.305 5.701 -2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.162 4.987 -3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.084 6.445 -3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.712 5.528 -2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.585 6.244 -4.098 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.360 4.657 -3.883 1.00 0.00 H new ATOM 814 N PHE A 51 -2.312 2.614 -5.035 1.00 0.00 N ATOM 815 CA PHE A 51 -0.986 2.027 -5.150 1.00 0.00 C ATOM 816 C PHE A 51 -0.581 1.885 -6.617 1.00 0.00 C ATOM 817 O PHE A 51 0.604 1.896 -6.956 1.00 0.00 O ATOM 818 CB PHE A 51 -0.964 0.667 -4.449 1.00 0.00 C ATOM 819 CG PHE A 51 -0.677 0.740 -2.974 1.00 0.00 C ATOM 820 CD1 PHE A 51 -1.092 1.827 -2.221 1.00 0.00 C ATOM 821 CD2 PHE A 51 -0.004 -0.291 -2.339 1.00 0.00 C ATOM 822 CE1 PHE A 51 -0.840 1.886 -0.864 1.00 0.00 C ATOM 823 CE2 PHE A 51 0.251 -0.237 -0.983 1.00 0.00 C ATOM 824 CZ PHE A 51 -0.167 0.852 -0.244 1.00 0.00 C ATOM 0 H PHE A 51 -3.006 1.997 -4.614 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.265 2.687 -4.668 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.927 0.179 -4.597 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.211 0.038 -4.924 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.619 2.638 -2.701 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.325 -1.146 -2.911 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.169 2.739 -0.289 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.778 -1.047 -0.500 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.032 0.895 0.817 1.00 0.00 H new ATOM 834 N ASN A 52 -1.581 1.771 -7.479 1.00 0.00 N ATOM 835 CA ASN A 52 -1.357 1.620 -8.911 1.00 0.00 C ATOM 836 C ASN A 52 -0.979 2.961 -9.532 1.00 0.00 C ATOM 837 O ASN A 52 -0.092 3.040 -10.382 1.00 0.00 O ATOM 838 CB ASN A 52 -2.619 1.060 -9.578 1.00 0.00 C ATOM 839 CG ASN A 52 -2.458 0.821 -11.070 1.00 0.00 C ATOM 840 OD1 ASN A 52 -1.268 0.422 -11.496 1.00 0.00 O flip ATOM 841 ND2 ASN A 52 -3.411 0.976 -11.834 1.00 0.00 N flip ATOM 0 H ASN A 52 -2.565 1.780 -7.209 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.534 0.923 -9.070 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.891 0.122 -9.095 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.445 1.753 -9.416 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.312 1.284 -11.469 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.299 0.796 -12.832 1.00 0.00 H new ATOM 848 N LYS A 53 -1.643 4.016 -9.080 1.00 0.00 N ATOM 849 CA LYS A 53 -1.393 5.361 -9.585 1.00 0.00 C ATOM 850 C LYS A 53 -0.092 5.929 -9.025 1.00 0.00 C ATOM 851 O LYS A 53 0.472 6.875 -9.571 1.00 0.00 O ATOM 852 CB LYS A 53 -2.562 6.279 -9.227 1.00 0.00 C ATOM 853 CG LYS A 53 -3.771 6.143 -10.147 1.00 0.00 C ATOM 854 CD LYS A 53 -4.920 7.033 -9.697 1.00 0.00 C ATOM 855 CE LYS A 53 -6.089 6.976 -10.672 1.00 0.00 C ATOM 856 NZ LYS A 53 -6.642 5.603 -10.814 1.00 0.00 N ATOM 0 H LYS A 53 -2.364 3.966 -8.360 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.297 5.303 -10.669 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.873 6.069 -8.204 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.217 7.313 -9.250 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.485 6.404 -11.166 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.100 5.104 -10.165 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.255 6.722 -8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.571 8.062 -9.607 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.876 7.648 -10.331 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.763 7.336 -11.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.614 5.656 -11.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.052 5.058 -11.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.648 5.133 -9.886 1.00 0.00 H new ATOM 870 N MET A 54 0.374 5.350 -7.927 1.00 0.00 N ATOM 871 CA MET A 54 1.619 5.779 -7.300 1.00 0.00 C ATOM 872 C MET A 54 2.816 5.015 -7.855 1.00 0.00 C ATOM 873 O MET A 54 3.931 5.143 -7.347 1.00 0.00 O ATOM 874 CB MET A 54 1.538 5.585 -5.788 1.00 0.00 C ATOM 875 CG MET A 54 0.618 6.576 -5.112 1.00 0.00 C ATOM 876 SD MET A 54 0.198 6.106 -3.424 1.00 0.00 S ATOM 877 CE MET A 54 1.706 6.516 -2.559 1.00 0.00 C ATOM 0 H MET A 54 -0.093 4.579 -7.450 1.00 0.00 H new ATOM 0 HA MET A 54 1.758 6.836 -7.525 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.192 4.573 -5.575 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.537 5.676 -5.362 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.093 7.557 -5.103 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.298 6.671 -5.696 1.00 0.00 H new ATOM 0 HE1 MET A 54 1.648 6.150 -1.534 1.00 0.00 H new ATOM 0 HE2 MET A 54 2.553 6.051 -3.063 1.00 0.00 H new ATOM 0 HE3 MET A 54 1.838 7.598 -2.551 1.00 0.00 H new ATOM 887 N GLN A 55 2.570 4.223 -8.903 1.00 0.00 N ATOM 888 CA GLN A 55 3.604 3.399 -9.528 1.00 0.00 C ATOM 889 C GLN A 55 4.273 2.483 -8.505 1.00 0.00 C ATOM 890 O GLN A 55 5.486 2.292 -8.525 1.00 0.00 O ATOM 891 CB GLN A 55 4.655 4.274 -10.225 1.00 0.00 C ATOM 892 CG GLN A 55 4.271 4.727 -11.625 1.00 0.00 C ATOM 893 CD GLN A 55 3.099 5.689 -11.634 1.00 0.00 C ATOM 894 OE1 GLN A 55 1.945 5.278 -11.744 1.00 0.00 O ATOM 895 NE2 GLN A 55 3.386 6.976 -11.509 1.00 0.00 N ATOM 0 H GLN A 55 1.652 4.136 -9.339 1.00 0.00 H new ATOM 0 HA GLN A 55 3.119 2.776 -10.279 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.842 5.155 -9.610 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.592 3.720 -10.280 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.130 5.205 -12.095 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.022 3.854 -12.228 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.357 7.276 -11.420 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.636 7.667 -11.501 1.00 0.00 H new ATOM 904 N LEU A 56 3.472 1.916 -7.616 1.00 0.00 N ATOM 905 CA LEU A 56 3.994 1.111 -6.523 1.00 0.00 C ATOM 906 C LEU A 56 3.443 -0.309 -6.580 1.00 0.00 C ATOM 907 O LEU A 56 4.021 -1.246 -6.027 1.00 0.00 O ATOM 908 CB LEU A 56 3.647 1.781 -5.185 1.00 0.00 C ATOM 909 CG LEU A 56 4.777 2.609 -4.573 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.308 3.297 -3.298 1.00 0.00 C ATOM 911 CD2 LEU A 56 5.981 1.734 -4.282 1.00 0.00 C ATOM 0 H LEU A 56 2.455 1.999 -7.630 1.00 0.00 H new ATOM 0 HA LEU A 56 5.078 1.044 -6.617 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.780 2.426 -5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.354 1.009 -4.473 1.00 0.00 H new ATOM 0 HG LEU A 56 5.067 3.373 -5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.127 3.881 -2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.471 3.957 -3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.990 2.546 -2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.775 2.341 -3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.699 0.948 -3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.336 1.283 -5.209 1.00 0.00 H new ATOM 923 N PHE A 57 2.324 -0.456 -7.271 1.00 0.00 N ATOM 924 CA PHE A 57 1.668 -1.741 -7.421 1.00 0.00 C ATOM 925 C PHE A 57 1.150 -1.871 -8.843 1.00 0.00 C ATOM 926 O PHE A 57 0.557 -0.936 -9.388 1.00 0.00 O ATOM 927 CB PHE A 57 0.515 -1.880 -6.408 1.00 0.00 C ATOM 928 CG PHE A 57 -0.334 -3.113 -6.577 1.00 0.00 C ATOM 929 CD1 PHE A 57 0.005 -4.301 -5.950 1.00 0.00 C ATOM 930 CD2 PHE A 57 -1.482 -3.077 -7.356 1.00 0.00 C ATOM 931 CE1 PHE A 57 -0.783 -5.428 -6.098 1.00 0.00 C ATOM 932 CE2 PHE A 57 -2.269 -4.201 -7.508 1.00 0.00 C ATOM 933 CZ PHE A 57 -1.920 -5.378 -6.879 1.00 0.00 C ATOM 0 H PHE A 57 1.847 0.312 -7.742 1.00 0.00 H new ATOM 0 HA PHE A 57 2.384 -2.539 -7.224 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.933 -1.880 -5.401 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.126 -1.002 -6.487 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.894 -4.348 -5.339 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.763 -2.158 -7.849 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.509 -6.347 -5.602 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.158 -4.159 -8.120 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.535 -6.258 -6.997 1.00 0.00 H new ATOM 943 N ASP A 58 1.397 -3.016 -9.442 1.00 0.00 N ATOM 944 CA ASP A 58 0.920 -3.289 -10.785 1.00 0.00 C ATOM 945 C ASP A 58 -0.315 -4.171 -10.699 1.00 0.00 C ATOM 946 O ASP A 58 -0.334 -5.154 -9.960 1.00 0.00 O ATOM 947 CB ASP A 58 2.019 -3.963 -11.620 1.00 0.00 C ATOM 948 CG ASP A 58 1.579 -4.278 -13.036 1.00 0.00 C ATOM 949 OD1 ASP A 58 0.819 -5.245 -13.233 1.00 0.00 O ATOM 950 OD2 ASP A 58 2.006 -3.566 -13.967 1.00 0.00 O ATOM 0 H ASP A 58 1.928 -3.778 -9.020 1.00 0.00 H new ATOM 0 HA ASP A 58 0.659 -2.353 -11.279 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.893 -3.312 -11.653 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.327 -4.885 -11.128 1.00 0.00 H new ATOM 955 N ASP A 59 -1.344 -3.797 -11.450 1.00 0.00 N ATOM 956 CA ASP A 59 -2.657 -4.454 -11.381 1.00 0.00 C ATOM 957 C ASP A 59 -2.566 -5.939 -11.724 1.00 0.00 C ATOM 958 O ASP A 59 -3.433 -6.729 -11.353 1.00 0.00 O ATOM 959 CB ASP A 59 -3.634 -3.751 -12.330 1.00 0.00 C ATOM 960 CG ASP A 59 -5.019 -4.372 -12.337 1.00 0.00 C ATOM 961 OD1 ASP A 59 -5.350 -5.086 -13.309 1.00 0.00 O ATOM 962 OD2 ASP A 59 -5.790 -4.128 -11.387 1.00 0.00 O ATOM 0 H ASP A 59 -1.299 -3.033 -12.124 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.020 -4.377 -10.356 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.715 -2.702 -12.044 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.228 -3.775 -13.341 1.00 0.00 H new ATOM 967 N THR A 60 -1.508 -6.315 -12.422 1.00 0.00 N ATOM 968 CA THR A 60 -1.316 -7.687 -12.842 1.00 0.00 C ATOM 969 C THR A 60 -0.158 -8.357 -12.094 1.00 0.00 C ATOM 970 O THR A 60 -0.322 -9.425 -11.505 1.00 0.00 O ATOM 971 CB THR A 60 -1.050 -7.732 -14.354 1.00 0.00 C ATOM 972 OG1 THR A 60 -2.241 -7.361 -15.066 1.00 0.00 O ATOM 973 CG2 THR A 60 -0.579 -9.106 -14.795 1.00 0.00 C ATOM 0 H THR A 60 -0.764 -5.680 -12.711 1.00 0.00 H new ATOM 0 HA THR A 60 -2.227 -8.238 -12.606 1.00 0.00 H new ATOM 0 HB THR A 60 -0.255 -7.022 -14.582 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.068 -7.389 -16.030 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.400 -9.102 -15.870 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.345 -9.358 -14.275 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.343 -9.846 -14.557 1.00 0.00 H new ATOM 981 N GLU A 61 1.011 -7.727 -12.126 1.00 0.00 N ATOM 982 CA GLU A 61 2.225 -8.322 -11.568 1.00 0.00 C ATOM 983 C GLU A 61 2.366 -8.073 -10.060 1.00 0.00 C ATOM 984 O GLU A 61 3.335 -8.518 -9.444 1.00 0.00 O ATOM 985 CB GLU A 61 3.458 -7.800 -12.304 1.00 0.00 C ATOM 986 CG GLU A 61 3.311 -7.852 -13.815 1.00 0.00 C ATOM 987 CD GLU A 61 4.562 -7.419 -14.547 1.00 0.00 C ATOM 988 OE1 GLU A 61 4.599 -6.274 -15.047 1.00 0.00 O ATOM 989 OE2 GLU A 61 5.513 -8.224 -14.636 1.00 0.00 O ATOM 0 H GLU A 61 1.146 -6.802 -12.533 1.00 0.00 H new ATOM 0 HA GLU A 61 2.144 -9.400 -11.709 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.649 -6.771 -11.998 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.327 -8.387 -12.008 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.055 -8.868 -14.115 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.481 -7.212 -14.116 1.00 0.00 H new ATOM 996 N GLY A 62 1.414 -7.368 -9.466 1.00 0.00 N ATOM 997 CA GLY A 62 1.396 -7.224 -8.018 1.00 0.00 C ATOM 998 C GLY A 62 2.328 -6.144 -7.497 1.00 0.00 C ATOM 999 O GLY A 62 2.655 -5.201 -8.214 1.00 0.00 O ATOM 0 H GLY A 62 0.655 -6.894 -9.955 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.379 -6.999 -7.697 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.669 -8.177 -7.564 1.00 0.00 H new ATOM 1003 N PRO A 63 2.755 -6.261 -6.225 1.00 0.00 N ATOM 1004 CA PRO A 63 3.651 -5.290 -5.590 1.00 0.00 C ATOM 1005 C PRO A 63 4.988 -5.202 -6.308 1.00 0.00 C ATOM 1006 O PRO A 63 5.634 -6.219 -6.570 1.00 0.00 O ATOM 1007 CB PRO A 63 3.851 -5.830 -4.165 1.00 0.00 C ATOM 1008 CG PRO A 63 2.762 -6.822 -3.953 1.00 0.00 C ATOM 1009 CD PRO A 63 2.406 -7.362 -5.314 1.00 0.00 C ATOM 0 HA PRO A 63 3.232 -4.284 -5.613 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.831 -6.295 -4.057 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.797 -5.026 -3.431 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.090 -7.623 -3.291 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.897 -6.354 -3.483 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.967 -8.267 -5.546 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.348 -7.617 -5.380 1.00 0.00 H new ATOM 1017 N LEU A 64 5.395 -3.989 -6.631 1.00 0.00 N ATOM 1018 CA LEU A 64 6.665 -3.770 -7.299 1.00 0.00 C ATOM 1019 C LEU A 64 7.735 -3.469 -6.264 1.00 0.00 C ATOM 1020 O LEU A 64 7.938 -2.322 -5.868 1.00 0.00 O ATOM 1021 CB LEU A 64 6.542 -2.641 -8.325 1.00 0.00 C ATOM 1022 CG LEU A 64 5.380 -2.821 -9.311 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.275 -1.632 -10.252 1.00 0.00 C ATOM 1024 CD2 LEU A 64 5.553 -4.111 -10.097 1.00 0.00 C ATOM 0 H LEU A 64 4.864 -3.139 -6.442 1.00 0.00 H new ATOM 0 HA LEU A 64 6.953 -4.671 -7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.415 -1.696 -7.797 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.474 -2.570 -8.886 1.00 0.00 H new ATOM 0 HG LEU A 64 4.453 -2.880 -8.741 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.444 -1.785 -10.940 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.105 -0.724 -9.673 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.201 -1.533 -10.818 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.722 -4.227 -10.793 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.490 -4.075 -10.653 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.571 -4.956 -9.409 1.00 0.00 H new ATOM 1036 N VAL A 65 8.401 -4.535 -5.835 1.00 0.00 N ATOM 1037 CA VAL A 65 9.355 -4.504 -4.732 1.00 0.00 C ATOM 1038 C VAL A 65 10.396 -3.397 -4.882 1.00 0.00 C ATOM 1039 O VAL A 65 10.691 -2.687 -3.923 1.00 0.00 O ATOM 1040 CB VAL A 65 10.071 -5.860 -4.600 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.157 -5.806 -3.539 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.067 -6.953 -4.283 1.00 0.00 C ATOM 0 H VAL A 65 8.292 -5.460 -6.250 1.00 0.00 H new ATOM 0 HA VAL A 65 8.777 -4.296 -3.831 1.00 0.00 H new ATOM 0 HB VAL A 65 10.549 -6.088 -5.553 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.645 -6.778 -3.468 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.893 -5.049 -3.810 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.713 -5.552 -2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.585 -7.908 -4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.563 -6.723 -3.344 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.331 -7.015 -5.085 1.00 0.00 H new ATOM 1052 N ASP A 66 10.936 -3.248 -6.082 1.00 0.00 N ATOM 1053 CA ASP A 66 11.982 -2.262 -6.335 1.00 0.00 C ATOM 1054 C ASP A 66 11.501 -0.860 -5.982 1.00 0.00 C ATOM 1055 O ASP A 66 12.126 -0.160 -5.183 1.00 0.00 O ATOM 1056 CB ASP A 66 12.417 -2.315 -7.796 1.00 0.00 C ATOM 1057 CG ASP A 66 12.947 -3.677 -8.195 1.00 0.00 C ATOM 1058 OD1 ASP A 66 14.175 -3.898 -8.116 1.00 0.00 O ATOM 1059 OD2 ASP A 66 12.138 -4.541 -8.580 1.00 0.00 O ATOM 0 H ASP A 66 10.668 -3.797 -6.899 1.00 0.00 H new ATOM 0 HA ASP A 66 12.837 -2.502 -5.703 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.571 -2.057 -8.433 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.187 -1.564 -7.970 1.00 0.00 H new ATOM 1064 N ASN A 67 10.375 -0.465 -6.563 1.00 0.00 N ATOM 1065 CA ASN A 67 9.791 0.846 -6.301 1.00 0.00 C ATOM 1066 C ASN A 67 9.415 0.981 -4.833 1.00 0.00 C ATOM 1067 O ASN A 67 9.547 2.051 -4.239 1.00 0.00 O ATOM 1068 CB ASN A 67 8.558 1.064 -7.180 1.00 0.00 C ATOM 1069 CG ASN A 67 8.902 1.232 -8.649 1.00 0.00 C ATOM 1070 OD1 ASN A 67 9.915 0.724 -9.131 1.00 0.00 O ATOM 1071 ND2 ASN A 67 8.055 1.942 -9.370 1.00 0.00 N ATOM 0 H ASN A 67 9.845 -1.036 -7.222 1.00 0.00 H new ATOM 0 HA ASN A 67 10.534 1.606 -6.541 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.882 0.217 -7.065 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.023 1.948 -6.834 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.228 2.087 -10.365 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.227 2.346 -8.933 1.00 0.00 H new ATOM 1078 N LEU A 68 8.971 -0.126 -4.254 1.00 0.00 N ATOM 1079 CA LEU A 68 8.571 -0.168 -2.854 1.00 0.00 C ATOM 1080 C LEU A 68 9.728 0.197 -1.930 1.00 0.00 C ATOM 1081 O LEU A 68 9.561 0.972 -0.991 1.00 0.00 O ATOM 1082 CB LEU A 68 8.017 -1.554 -2.518 1.00 0.00 C ATOM 1083 CG LEU A 68 6.551 -1.754 -2.901 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.199 -3.230 -2.939 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.652 -1.026 -1.920 1.00 0.00 C ATOM 0 H LEU A 68 8.878 -1.018 -4.740 1.00 0.00 H new ATOM 0 HA LEU A 68 7.789 0.575 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.619 -2.307 -3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.128 -1.727 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 68 6.397 -1.341 -3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.151 -3.347 -3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.826 -3.735 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.368 -3.670 -1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.610 -1.175 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.816 -1.418 -0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.883 0.039 -1.936 1.00 0.00 H new ATOM 1097 N VAL A 69 10.902 -0.344 -2.213 1.00 0.00 N ATOM 1098 CA VAL A 69 12.093 -0.052 -1.427 1.00 0.00 C ATOM 1099 C VAL A 69 12.551 1.388 -1.649 1.00 0.00 C ATOM 1100 O VAL A 69 12.945 2.075 -0.709 1.00 0.00 O ATOM 1101 CB VAL A 69 13.234 -1.015 -1.779 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.461 -0.725 -0.937 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.794 -2.451 -1.586 1.00 0.00 C ATOM 0 H VAL A 69 11.057 -0.992 -2.986 1.00 0.00 H new ATOM 0 HA VAL A 69 11.833 -0.184 -0.377 1.00 0.00 H new ATOM 0 HB VAL A 69 13.493 -0.866 -2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.258 -1.420 -1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.794 0.297 -1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.214 -0.843 0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.616 -3.121 -1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.507 -2.607 -0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.942 -2.660 -2.233 1.00 0.00 H new ATOM 1113 N HIS A 70 12.481 1.845 -2.897 1.00 0.00 N ATOM 1114 CA HIS A 70 12.864 3.221 -3.227 1.00 0.00 C ATOM 1115 C HIS A 70 11.996 4.230 -2.481 1.00 0.00 C ATOM 1116 O HIS A 70 12.450 5.321 -2.138 1.00 0.00 O ATOM 1117 CB HIS A 70 12.769 3.478 -4.735 1.00 0.00 C ATOM 1118 CG HIS A 70 13.936 2.954 -5.518 1.00 0.00 C ATOM 1119 ND1 HIS A 70 14.136 1.759 -6.121 1.00 0.00 N flip ATOM 1120 CD2 HIS A 70 15.075 3.693 -5.757 1.00 0.00 C flip ATOM 1121 CE1 HIS A 70 15.375 1.798 -6.705 1.00 0.00 C flip ATOM 1122 NE2 HIS A 70 15.920 2.975 -6.472 1.00 0.00 N flip ATOM 0 H HIS A 70 12.166 1.290 -3.693 1.00 0.00 H new ATOM 0 HA HIS A 70 13.900 3.348 -2.914 1.00 0.00 H new ATOM 0 HB2 HIS A 70 11.855 3.020 -5.114 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.683 4.551 -4.906 1.00 0.00 H new ATOM 0 HD1 HIS A 70 13.485 0.974 -6.138 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.248 4.702 -5.413 1.00 0.00 H new ATOM 0 HE1 HIS A 70 15.831 0.995 -7.265 1.00 0.00 H new ATOM 1131 N GLN A 71 10.757 3.852 -2.222 1.00 0.00 N ATOM 1132 CA GLN A 71 9.806 4.735 -1.560 1.00 0.00 C ATOM 1133 C GLN A 71 9.890 4.605 -0.041 1.00 0.00 C ATOM 1134 O GLN A 71 10.072 5.600 0.664 1.00 0.00 O ATOM 1135 CB GLN A 71 8.389 4.407 -2.026 1.00 0.00 C ATOM 1136 CG GLN A 71 7.365 5.480 -1.676 1.00 0.00 C ATOM 1137 CD GLN A 71 7.723 6.845 -2.231 1.00 0.00 C ATOM 1138 OE1 GLN A 71 7.391 7.179 -3.366 1.00 0.00 O ATOM 1139 NE2 GLN A 71 8.373 7.658 -1.418 1.00 0.00 N ATOM 0 H GLN A 71 10.382 2.934 -2.461 1.00 0.00 H new ATOM 0 HA GLN A 71 10.055 5.762 -1.827 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.396 4.262 -3.106 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.079 3.462 -1.580 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.389 5.182 -2.060 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.274 5.547 -0.592 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.632 7.344 -0.483 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.616 8.600 -1.726 1.00 0.00 H new ATOM 1148 N LEU A 72 9.747 3.385 0.451 1.00 0.00 N ATOM 1149 CA LEU A 72 9.700 3.127 1.889 1.00 0.00 C ATOM 1150 C LEU A 72 11.042 3.368 2.584 1.00 0.00 C ATOM 1151 O LEU A 72 11.099 4.046 3.607 1.00 0.00 O ATOM 1152 CB LEU A 72 9.229 1.696 2.157 1.00 0.00 C ATOM 1153 CG LEU A 72 7.776 1.404 1.771 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.487 -0.083 1.886 1.00 0.00 C ATOM 1155 CD2 LEU A 72 6.812 2.191 2.646 1.00 0.00 C ATOM 0 H LEU A 72 9.660 2.549 -0.126 1.00 0.00 H new ATOM 0 HA LEU A 72 8.989 3.838 2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.878 1.009 1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.356 1.481 3.218 1.00 0.00 H new ATOM 0 HG LEU A 72 7.633 1.714 0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.451 -0.275 1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.149 -0.635 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.654 -0.408 2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.787 1.966 2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.959 1.914 3.690 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.998 3.258 2.524 1.00 0.00 H new ATOM 1167 N ALA A 73 12.120 2.824 2.022 1.00 0.00 N ATOM 1168 CA ALA A 73 13.434 2.846 2.669 1.00 0.00 C ATOM 1169 C ALA A 73 14.107 4.223 2.671 1.00 0.00 C ATOM 1170 O ALA A 73 15.333 4.316 2.593 1.00 0.00 O ATOM 1171 CB ALA A 73 14.342 1.826 2.009 1.00 0.00 C ATOM 0 H ALA A 73 12.110 2.359 1.114 1.00 0.00 H new ATOM 0 HA ALA A 73 13.266 2.594 3.716 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.319 1.843 2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.906 0.832 2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.454 2.069 0.952 1.00 0.00 H new ATOM 1177 N HIS A 74 13.326 5.288 2.764 1.00 0.00 N ATOM 1178 CA HIS A 74 13.889 6.628 2.873 1.00 0.00 C ATOM 1179 C HIS A 74 14.474 6.841 4.261 1.00 0.00 C ATOM 1180 O HIS A 74 13.741 7.012 5.235 1.00 0.00 O ATOM 1181 CB HIS A 74 12.840 7.703 2.579 1.00 0.00 C ATOM 1182 CG HIS A 74 12.731 8.064 1.128 1.00 0.00 C ATOM 1183 ND1 HIS A 74 11.678 7.678 0.333 1.00 0.00 N ATOM 1184 CD2 HIS A 74 13.547 8.796 0.332 1.00 0.00 C ATOM 1185 CE1 HIS A 74 11.848 8.156 -0.886 1.00 0.00 C ATOM 1186 NE2 HIS A 74 12.976 8.839 -0.915 1.00 0.00 N ATOM 0 H HIS A 74 12.307 5.253 2.766 1.00 0.00 H new ATOM 0 HA HIS A 74 14.681 6.717 2.129 1.00 0.00 H new ATOM 0 HB2 HIS A 74 11.869 7.355 2.931 1.00 0.00 H new ATOM 0 HB3 HIS A 74 13.083 8.600 3.149 1.00 0.00 H new ATOM 0 HD1 HIS A 74 10.887 7.110 0.638 1.00 0.00 H new ATOM 0 HD2 HIS A 74 14.477 9.261 0.625 1.00 0.00 H new ATOM 0 HE1 HIS A 74 11.176 8.012 -1.719 1.00 0.00 H new ATOM 1195 N GLY A 75 15.796 6.810 4.347 1.00 0.00 N ATOM 1196 CA GLY A 75 16.462 7.011 5.616 1.00 0.00 C ATOM 1197 C GLY A 75 16.670 5.715 6.375 1.00 0.00 C ATOM 1198 O GLY A 75 16.927 5.731 7.579 1.00 0.00 O ATOM 0 H GLY A 75 16.421 6.649 3.557 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.428 7.487 5.444 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.874 7.696 6.227 1.00 0.00 H new ATOM 1202 N ARG A 76 16.572 4.590 5.676 1.00 0.00 N ATOM 1203 CA ARG A 76 16.716 3.283 6.307 1.00 0.00 C ATOM 1204 C ARG A 76 17.378 2.282 5.370 1.00 0.00 C ATOM 1205 O ARG A 76 17.489 2.524 4.167 1.00 0.00 O ATOM 1206 CB ARG A 76 15.357 2.750 6.769 1.00 0.00 C ATOM 1207 CG ARG A 76 15.037 3.095 8.212 1.00 0.00 C ATOM 1208 CD ARG A 76 13.856 2.300 8.731 1.00 0.00 C ATOM 1209 NE ARG A 76 13.610 2.562 10.145 1.00 0.00 N ATOM 1210 CZ ARG A 76 13.266 1.625 11.027 1.00 0.00 C ATOM 1211 NH1 ARG A 76 13.076 0.372 10.633 1.00 0.00 N ATOM 1212 NH2 ARG A 76 13.098 1.947 12.304 1.00 0.00 N ATOM 0 H ARG A 76 16.393 4.556 4.672 1.00 0.00 H new ATOM 0 HA ARG A 76 17.359 3.411 7.178 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.577 3.155 6.124 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.339 1.667 6.649 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.910 2.899 8.835 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.822 4.160 8.292 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.966 2.551 8.154 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.041 1.236 8.585 1.00 0.00 H new ATOM 0 HE ARG A 76 13.707 3.521 10.478 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.193 0.123 9.651 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.813 -0.342 11.312 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.232 2.911 12.609 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.835 1.230 12.980 1.00 0.00 H new ATOM 1226 N ASP A 77 17.826 1.166 5.940 1.00 0.00 N ATOM 1227 CA ASP A 77 18.468 0.099 5.180 1.00 0.00 C ATOM 1228 C ASP A 77 17.520 -0.508 4.165 1.00 0.00 C ATOM 1229 O ASP A 77 16.570 -1.211 4.518 1.00 0.00 O ATOM 1230 CB ASP A 77 18.990 -0.996 6.110 1.00 0.00 C ATOM 1231 CG ASP A 77 20.238 -0.577 6.852 1.00 0.00 C ATOM 1232 OD1 ASP A 77 21.346 -0.745 6.301 1.00 0.00 O ATOM 1233 OD2 ASP A 77 20.124 -0.078 7.989 1.00 0.00 O ATOM 0 H ASP A 77 17.754 0.977 6.940 1.00 0.00 H new ATOM 0 HA ASP A 77 19.307 0.546 4.647 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.214 -1.258 6.829 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.201 -1.893 5.528 1.00 0.00 H new ATOM 1238 N ALA A 78 17.802 -0.227 2.901 1.00 0.00 N ATOM 1239 CA ALA A 78 17.026 -0.749 1.786 1.00 0.00 C ATOM 1240 C ALA A 78 16.970 -2.272 1.815 1.00 0.00 C ATOM 1241 O ALA A 78 15.964 -2.872 1.442 1.00 0.00 O ATOM 1242 CB ALA A 78 17.635 -0.273 0.481 1.00 0.00 C ATOM 0 H ALA A 78 18.578 0.372 2.619 1.00 0.00 H new ATOM 0 HA ALA A 78 16.005 -0.378 1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.055 -0.663 -0.355 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.626 0.817 0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.662 -0.630 0.407 1.00 0.00 H new ATOM 1248 N GLU A 79 18.057 -2.880 2.273 1.00 0.00 N ATOM 1249 CA GLU A 79 18.163 -4.332 2.359 1.00 0.00 C ATOM 1250 C GLU A 79 17.087 -4.912 3.275 1.00 0.00 C ATOM 1251 O GLU A 79 16.386 -5.860 2.911 1.00 0.00 O ATOM 1252 CB GLU A 79 19.543 -4.719 2.880 1.00 0.00 C ATOM 1253 CG GLU A 79 20.676 -4.267 1.982 1.00 0.00 C ATOM 1254 CD GLU A 79 22.033 -4.536 2.592 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.424 -3.807 3.528 1.00 0.00 O ATOM 1256 OE2 GLU A 79 22.716 -5.479 2.140 1.00 0.00 O ATOM 0 H GLU A 79 18.888 -2.383 2.594 1.00 0.00 H new ATOM 0 HA GLU A 79 18.018 -4.742 1.360 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.682 -4.289 3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.589 -5.802 2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.603 -4.780 1.023 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.575 -3.200 1.782 1.00 0.00 H new ATOM 1263 N GLU A 80 16.955 -4.328 4.460 1.00 0.00 N ATOM 1264 CA GLU A 80 15.979 -4.788 5.433 1.00 0.00 C ATOM 1265 C GLU A 80 14.567 -4.482 4.960 1.00 0.00 C ATOM 1266 O GLU A 80 13.683 -5.335 5.033 1.00 0.00 O ATOM 1267 CB GLU A 80 16.241 -4.142 6.788 1.00 0.00 C ATOM 1268 CG GLU A 80 17.484 -4.676 7.475 1.00 0.00 C ATOM 1269 CD GLU A 80 17.360 -6.141 7.842 1.00 0.00 C ATOM 1270 OE1 GLU A 80 17.485 -6.999 6.945 1.00 0.00 O ATOM 1271 OE2 GLU A 80 17.146 -6.445 9.033 1.00 0.00 O ATOM 0 H GLU A 80 17.515 -3.533 4.768 1.00 0.00 H new ATOM 0 HA GLU A 80 16.077 -5.869 5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.341 -3.065 6.656 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.378 -4.305 7.434 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.344 -4.541 6.819 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.676 -4.094 8.376 1.00 0.00 H new ATOM 1278 N VAL A 81 14.370 -3.266 4.460 1.00 0.00 N ATOM 1279 CA VAL A 81 13.081 -2.850 3.921 1.00 0.00 C ATOM 1280 C VAL A 81 12.610 -3.798 2.821 1.00 0.00 C ATOM 1281 O VAL A 81 11.472 -4.259 2.841 1.00 0.00 O ATOM 1282 CB VAL A 81 13.147 -1.409 3.385 1.00 0.00 C ATOM 1283 CG1 VAL A 81 11.866 -1.029 2.657 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.411 -0.457 4.532 1.00 0.00 C ATOM 0 H VAL A 81 15.093 -2.547 4.417 1.00 0.00 H new ATOM 0 HA VAL A 81 12.359 -2.885 4.737 1.00 0.00 H new ATOM 0 HB VAL A 81 13.962 -1.343 2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.945 -0.005 2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.712 -1.704 1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.022 -1.105 3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.458 0.564 4.154 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.607 -0.536 5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.359 -0.712 5.006 1.00 0.00 H new ATOM 1294 N ARG A 82 13.498 -4.099 1.873 1.00 0.00 N ATOM 1295 CA ARG A 82 13.190 -5.028 0.795 1.00 0.00 C ATOM 1296 C ARG A 82 12.789 -6.385 1.356 1.00 0.00 C ATOM 1297 O ARG A 82 11.835 -7.003 0.890 1.00 0.00 O ATOM 1298 CB ARG A 82 14.394 -5.183 -0.130 1.00 0.00 C ATOM 1299 CG ARG A 82 14.042 -5.832 -1.450 1.00 0.00 C ATOM 1300 CD ARG A 82 15.228 -5.862 -2.393 1.00 0.00 C ATOM 1301 NE ARG A 82 14.816 -6.148 -3.767 1.00 0.00 N ATOM 1302 CZ ARG A 82 14.904 -5.272 -4.770 1.00 0.00 C ATOM 1303 NH1 ARG A 82 15.431 -4.066 -4.568 1.00 0.00 N ATOM 1304 NH2 ARG A 82 14.471 -5.607 -5.980 1.00 0.00 N ATOM 0 H ARG A 82 14.440 -3.709 1.834 1.00 0.00 H new ATOM 0 HA ARG A 82 12.353 -4.625 0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.830 -4.202 -0.318 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.156 -5.780 0.371 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.691 -6.849 -1.274 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.220 -5.288 -1.916 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.745 -4.903 -2.360 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.939 -6.619 -2.061 1.00 0.00 H new ATOM 0 HE ARG A 82 14.438 -7.073 -3.971 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.771 -3.806 -3.642 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.495 -3.402 -5.339 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.072 -6.532 -6.141 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.537 -4.939 -6.748 1.00 0.00 H new ATOM 1318 N THR A 83 13.515 -6.824 2.372 1.00 0.00 N ATOM 1319 CA THR A 83 13.257 -8.101 3.013 1.00 0.00 C ATOM 1320 C THR A 83 11.859 -8.131 3.636 1.00 0.00 C ATOM 1321 O THR A 83 11.060 -9.029 3.357 1.00 0.00 O ATOM 1322 CB THR A 83 14.324 -8.377 4.092 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.587 -8.662 3.469 1.00 0.00 O ATOM 1324 CG2 THR A 83 13.914 -9.523 5.001 1.00 0.00 C ATOM 0 H THR A 83 14.297 -6.306 2.773 1.00 0.00 H new ATOM 0 HA THR A 83 13.307 -8.880 2.252 1.00 0.00 H new ATOM 0 HB THR A 83 14.419 -7.484 4.709 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.017 -7.823 3.203 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.689 -9.689 5.749 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.977 -9.275 5.499 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.781 -10.428 4.408 1.00 0.00 H new ATOM 1332 N GLU A 84 11.572 -7.141 4.477 1.00 0.00 N ATOM 1333 CA GLU A 84 10.273 -7.027 5.127 1.00 0.00 C ATOM 1334 C GLU A 84 9.142 -6.922 4.101 1.00 0.00 C ATOM 1335 O GLU A 84 8.087 -7.533 4.273 1.00 0.00 O ATOM 1336 CB GLU A 84 10.262 -5.825 6.070 1.00 0.00 C ATOM 1337 CG GLU A 84 11.357 -5.885 7.122 1.00 0.00 C ATOM 1338 CD GLU A 84 11.282 -4.754 8.125 1.00 0.00 C ATOM 1339 OE1 GLU A 84 12.018 -3.759 7.970 1.00 0.00 O ATOM 1340 OE2 GLU A 84 10.487 -4.858 9.084 1.00 0.00 O ATOM 0 H GLU A 84 12.229 -6.401 4.725 1.00 0.00 H new ATOM 0 HA GLU A 84 10.103 -7.933 5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.376 -4.911 5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.293 -5.768 6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.292 -6.836 7.651 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.328 -5.860 6.628 1.00 0.00 H new ATOM 1347 N VAL A 85 9.366 -6.155 3.035 1.00 0.00 N ATOM 1348 CA VAL A 85 8.406 -6.057 1.942 1.00 0.00 C ATOM 1349 C VAL A 85 8.122 -7.433 1.336 1.00 0.00 C ATOM 1350 O VAL A 85 6.968 -7.823 1.174 1.00 0.00 O ATOM 1351 CB VAL A 85 8.912 -5.107 0.835 1.00 0.00 C ATOM 1352 CG1 VAL A 85 8.114 -5.288 -0.445 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.839 -3.665 1.303 1.00 0.00 C ATOM 0 H VAL A 85 10.207 -5.592 2.907 1.00 0.00 H new ATOM 0 HA VAL A 85 7.484 -5.653 2.360 1.00 0.00 H new ATOM 0 HB VAL A 85 9.952 -5.356 0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.491 -4.607 -1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.214 -6.316 -0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.063 -5.071 -0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.199 -3.007 0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.806 -3.412 1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.459 -3.539 2.190 1.00 0.00 H new ATOM 1363 N LEU A 86 9.188 -8.165 1.021 1.00 0.00 N ATOM 1364 CA LEU A 86 9.077 -9.484 0.402 1.00 0.00 C ATOM 1365 C LEU A 86 8.303 -10.462 1.281 1.00 0.00 C ATOM 1366 O LEU A 86 7.648 -11.376 0.780 1.00 0.00 O ATOM 1367 CB LEU A 86 10.466 -10.041 0.106 1.00 0.00 C ATOM 1368 CG LEU A 86 11.215 -9.332 -1.013 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.684 -9.710 -0.982 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.605 -9.684 -2.358 1.00 0.00 C ATOM 0 H LEU A 86 10.148 -7.863 1.186 1.00 0.00 H new ATOM 0 HA LEU A 86 8.523 -9.364 -0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.065 -9.987 1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.371 -11.096 -0.151 1.00 0.00 H new ATOM 0 HG LEU A 86 11.131 -8.255 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.209 -9.196 -1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.115 -9.418 -0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.785 -10.787 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.150 -9.170 -3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.666 -10.761 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.560 -9.374 -2.376 1.00 0.00 H new ATOM 1382 N LYS A 87 8.380 -10.268 2.592 1.00 0.00 N ATOM 1383 CA LYS A 87 7.642 -11.106 3.535 1.00 0.00 C ATOM 1384 C LYS A 87 6.152 -10.787 3.478 1.00 0.00 C ATOM 1385 O LYS A 87 5.313 -11.564 3.938 1.00 0.00 O ATOM 1386 CB LYS A 87 8.161 -10.903 4.960 1.00 0.00 C ATOM 1387 CG LYS A 87 9.541 -11.495 5.198 1.00 0.00 C ATOM 1388 CD LYS A 87 10.041 -11.187 6.599 1.00 0.00 C ATOM 1389 CE LYS A 87 11.365 -11.876 6.890 1.00 0.00 C ATOM 1390 NZ LYS A 87 11.236 -13.359 6.869 1.00 0.00 N ATOM 0 H LYS A 87 8.945 -9.539 3.028 1.00 0.00 H new ATOM 0 HA LYS A 87 7.793 -12.148 3.252 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.191 -9.835 5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.457 -11.352 5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.506 -12.575 5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.241 -11.096 4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.159 -10.110 6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.297 -11.506 7.329 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.105 -11.566 6.153 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.733 -11.557 7.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.081 -13.787 7.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.393 -13.642 7.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.143 -13.686 5.886 1.00 0.00 H new ATOM 1404 N CYS A 88 5.836 -9.643 2.903 1.00 0.00 N ATOM 1405 CA CYS A 88 4.460 -9.198 2.784 1.00 0.00 C ATOM 1406 C CYS A 88 3.959 -9.393 1.358 1.00 0.00 C ATOM 1407 O CYS A 88 2.760 -9.330 1.091 1.00 0.00 O ATOM 1408 CB CYS A 88 4.352 -7.737 3.213 1.00 0.00 C ATOM 1409 SG CYS A 88 4.423 -7.503 5.019 1.00 0.00 S ATOM 0 H CYS A 88 6.521 -8.999 2.507 1.00 0.00 H new ATOM 0 HA CYS A 88 3.830 -9.798 3.441 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.159 -7.170 2.749 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.415 -7.325 2.838 1.00 0.00 H new ATOM 1414 N VAL A 89 4.894 -9.626 0.440 1.00 0.00 N ATOM 1415 CA VAL A 89 4.552 -9.943 -0.932 1.00 0.00 C ATOM 1416 C VAL A 89 4.038 -11.370 -1.017 1.00 0.00 C ATOM 1417 O VAL A 89 4.669 -12.305 -0.517 1.00 0.00 O ATOM 1418 CB VAL A 89 5.755 -9.777 -1.884 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.374 -10.185 -3.295 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.263 -8.346 -1.871 1.00 0.00 C ATOM 0 H VAL A 89 5.896 -9.600 0.629 1.00 0.00 H new ATOM 0 HA VAL A 89 3.778 -9.242 -1.245 1.00 0.00 H new ATOM 0 HB VAL A 89 6.556 -10.428 -1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.234 -10.062 -3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.060 -11.229 -3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.555 -9.558 -3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.111 -8.255 -2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.467 -7.674 -2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.576 -8.080 -0.861 1.00 0.00 H new ATOM 1430 N ASP A 90 2.890 -11.527 -1.639 1.00 0.00 N ATOM 1431 CA ASP A 90 2.265 -12.827 -1.769 1.00 0.00 C ATOM 1432 C ASP A 90 1.809 -13.043 -3.206 1.00 0.00 C ATOM 1433 O ASP A 90 1.731 -12.093 -3.988 1.00 0.00 O ATOM 1434 CB ASP A 90 1.074 -12.927 -0.817 1.00 0.00 C ATOM 1435 CG ASP A 90 0.614 -14.355 -0.611 1.00 0.00 C ATOM 1436 OD1 ASP A 90 -0.406 -14.755 -1.207 1.00 0.00 O ATOM 1437 OD2 ASP A 90 1.278 -15.088 0.151 1.00 0.00 O ATOM 0 H ASP A 90 2.366 -10.764 -2.067 1.00 0.00 H new ATOM 0 HA ASP A 90 2.989 -13.600 -1.511 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.345 -12.494 0.146 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.247 -12.336 -1.211 1.00 0.00 H new ATOM 1442 N LYS A 91 1.535 -14.291 -3.551 1.00 0.00 N ATOM 1443 CA LYS A 91 1.032 -14.641 -4.871 1.00 0.00 C ATOM 1444 C LYS A 91 -0.454 -14.321 -4.953 1.00 0.00 C ATOM 1445 O LYS A 91 -1.139 -14.248 -3.931 1.00 0.00 O ATOM 1446 CB LYS A 91 1.253 -16.129 -5.136 1.00 0.00 C ATOM 1447 CG LYS A 91 2.630 -16.618 -4.733 1.00 0.00 C ATOM 1448 CD LYS A 91 2.758 -18.120 -4.912 1.00 0.00 C ATOM 1449 CE LYS A 91 4.131 -18.621 -4.495 1.00 0.00 C ATOM 1450 NZ LYS A 91 5.206 -18.149 -5.409 1.00 0.00 N ATOM 0 H LYS A 91 1.654 -15.088 -2.926 1.00 0.00 H new ATOM 0 HA LYS A 91 1.569 -14.062 -5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.500 -16.702 -4.595 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.102 -16.327 -6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.387 -16.113 -5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.821 -16.356 -3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.992 -18.623 -4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.578 -18.379 -5.955 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.346 -18.284 -3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.127 -19.711 -4.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.107 -18.597 -5.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.966 -18.404 -6.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.298 -17.116 -5.333 1.00 0.00 H new ATOM 1464 N ASN A 92 -0.955 -14.135 -6.163 1.00 0.00 N ATOM 1465 CA ASN A 92 -2.360 -13.790 -6.354 1.00 0.00 C ATOM 1466 C ASN A 92 -3.230 -15.039 -6.292 1.00 0.00 C ATOM 1467 O ASN A 92 -3.937 -15.378 -7.242 1.00 0.00 O ATOM 1468 CB ASN A 92 -2.572 -13.059 -7.680 1.00 0.00 C ATOM 1469 CG ASN A 92 -3.975 -12.482 -7.813 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -4.660 -12.239 -6.817 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -4.400 -12.236 -9.044 1.00 0.00 N ATOM 0 H ASN A 92 -0.416 -14.216 -7.025 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.654 -13.119 -5.547 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.842 -12.254 -7.768 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.387 -13.748 -8.504 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.324 -11.831 -9.193 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.803 -12.451 -9.842 1.00 0.00 H new ATOM 1478 N THR A 93 -3.161 -15.720 -5.160 1.00 0.00 N ATOM 1479 CA THR A 93 -3.992 -16.884 -4.905 1.00 0.00 C ATOM 1480 C THR A 93 -5.401 -16.448 -4.533 1.00 0.00 C ATOM 1481 O THR A 93 -6.343 -17.241 -4.537 1.00 0.00 O ATOM 1482 CB THR A 93 -3.399 -17.739 -3.773 1.00 0.00 C ATOM 1483 OG1 THR A 93 -3.101 -16.913 -2.635 1.00 0.00 O ATOM 1484 CG2 THR A 93 -2.139 -18.442 -4.241 1.00 0.00 C ATOM 0 H THR A 93 -2.530 -15.482 -4.395 1.00 0.00 H new ATOM 0 HA THR A 93 -4.027 -17.484 -5.814 1.00 0.00 H new ATOM 0 HB THR A 93 -4.134 -18.491 -3.488 1.00 0.00 H new ATOM 0 HG1 THR A 93 -2.725 -17.466 -1.919 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.733 -19.042 -3.427 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.376 -19.089 -5.086 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.401 -17.701 -4.547 1.00 0.00 H new ATOM 1492 N ASP A 94 -5.529 -15.171 -4.212 1.00 0.00 N ATOM 1493 CA ASP A 94 -6.811 -14.587 -3.862 1.00 0.00 C ATOM 1494 C ASP A 94 -7.631 -14.333 -5.122 1.00 0.00 C ATOM 1495 O ASP A 94 -8.857 -14.234 -5.084 1.00 0.00 O ATOM 1496 CB ASP A 94 -6.594 -13.282 -3.097 1.00 0.00 C ATOM 1497 CG ASP A 94 -7.871 -12.731 -2.513 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -8.486 -11.851 -3.137 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -8.255 -13.168 -1.408 1.00 0.00 O ATOM 0 H ASP A 94 -4.750 -14.513 -4.187 1.00 0.00 H new ATOM 0 HA ASP A 94 -7.359 -15.282 -3.225 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.876 -13.451 -2.295 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.156 -12.542 -3.766 1.00 0.00 H new ATOM 1504 N ASN A 95 -6.911 -14.245 -6.242 1.00 0.00 N ATOM 1505 CA ASN A 95 -7.500 -14.048 -7.565 1.00 0.00 C ATOM 1506 C ASN A 95 -8.274 -12.740 -7.649 1.00 0.00 C ATOM 1507 O ASN A 95 -9.196 -12.605 -8.453 1.00 0.00 O ATOM 1508 CB ASN A 95 -8.403 -15.222 -7.946 1.00 0.00 C ATOM 1509 CG ASN A 95 -7.641 -16.521 -8.125 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -6.469 -16.531 -8.505 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -8.307 -17.629 -7.851 1.00 0.00 N ATOM 0 H ASN A 95 -5.893 -14.309 -6.255 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.676 -13.997 -8.277 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.161 -15.355 -7.175 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.928 -14.984 -8.871 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.851 -18.536 -7.952 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -9.277 -17.577 -7.539 1.00 0.00 H new ATOM 1518 N ASN A 96 -7.888 -11.774 -6.827 1.00 0.00 N ATOM 1519 CA ASN A 96 -8.539 -10.474 -6.808 1.00 0.00 C ATOM 1520 C ASN A 96 -7.526 -9.385 -6.481 1.00 0.00 C ATOM 1521 O ASN A 96 -6.871 -9.426 -5.440 1.00 0.00 O ATOM 1522 CB ASN A 96 -9.676 -10.472 -5.782 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.272 -9.093 -5.570 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -9.809 -8.326 -4.728 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -11.310 -8.773 -6.321 1.00 0.00 N ATOM 0 H ASN A 96 -7.122 -11.869 -6.161 1.00 0.00 H new ATOM 0 HA ASN A 96 -8.958 -10.273 -7.794 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -10.459 -11.155 -6.112 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -9.302 -10.852 -4.831 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -11.756 -7.862 -6.213 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -11.665 -9.437 -7.009 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.408 -8.415 -7.382 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.400 -7.365 -7.274 1.00 0.00 C ATOM 1534 C ALA A 97 -6.617 -6.481 -6.051 1.00 0.00 C ATOM 1535 O ALA A 97 -5.653 -6.030 -5.432 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.389 -6.520 -8.537 1.00 0.00 C ATOM 0 H ALA A 97 -8.006 -8.334 -8.205 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.433 -7.853 -7.153 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.634 -5.740 -8.446 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.157 -7.151 -9.395 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.368 -6.062 -8.677 1.00 0.00 H new ATOM 1542 N CYS A 98 -7.876 -6.237 -5.698 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.189 -5.377 -4.561 1.00 0.00 C ATOM 1544 C CYS A 98 -7.678 -5.987 -3.260 1.00 0.00 C ATOM 1545 O CYS A 98 -7.012 -5.317 -2.472 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.696 -5.122 -4.453 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.434 -4.373 -5.940 1.00 0.00 S ATOM 0 H CYS A 98 -8.690 -6.619 -6.179 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.686 -4.424 -4.728 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.199 -6.067 -4.248 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -9.883 -4.469 -3.600 1.00 0.00 H new ATOM 1552 N HIS A 99 -7.959 -7.265 -3.049 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.574 -7.917 -1.810 1.00 0.00 C ATOM 1554 C HIS A 99 -6.096 -8.276 -1.850 1.00 0.00 C ATOM 1555 O HIS A 99 -5.446 -8.374 -0.816 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.427 -9.166 -1.570 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.356 -9.698 -0.167 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -8.428 -11.041 0.133 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -8.240 -9.059 1.023 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -8.361 -11.205 1.441 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -8.246 -10.018 2.002 1.00 0.00 N ATOM 0 H HIS A 99 -8.448 -7.865 -3.714 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.745 -7.228 -0.983 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.465 -8.934 -1.807 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -8.109 -9.948 -2.260 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -8.519 -11.793 -0.550 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -8.158 -7.992 1.172 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.395 -12.150 1.962 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.570 -8.457 -3.054 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.157 -8.776 -3.235 1.00 0.00 C ATOM 1572 C TRP A 100 -3.283 -7.620 -2.761 1.00 0.00 C ATOM 1573 O TRP A 100 -2.428 -7.794 -1.890 1.00 0.00 O ATOM 1574 CB TRP A 100 -3.861 -9.095 -4.706 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.470 -9.600 -4.947 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.566 -10.000 -4.007 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.834 -9.777 -6.215 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.408 -10.407 -4.614 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.546 -10.285 -5.968 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.228 -9.560 -7.537 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.352 -10.574 -6.991 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.338 -9.849 -8.552 1.00 0.00 C ATOM 1583 CH2 TRP A 100 -0.062 -10.353 -8.276 1.00 0.00 C ATOM 0 H TRP A 100 -6.100 -8.389 -3.923 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.926 -9.656 -2.635 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.574 -9.841 -5.057 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.020 -8.196 -5.302 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.738 -9.996 -2.941 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.424 -10.747 -4.132 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.211 -9.173 -7.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.339 -10.958 -6.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.632 -9.683 -9.578 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.609 -10.572 -9.093 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.513 -6.441 -3.328 1.00 0.00 N ATOM 1595 CA ALA A 101 -2.761 -5.252 -2.956 1.00 0.00 C ATOM 1596 C ALA A 101 -2.982 -4.921 -1.491 1.00 0.00 C ATOM 1597 O ALA A 101 -2.064 -4.496 -0.788 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.174 -4.076 -3.820 1.00 0.00 C ATOM 0 H ALA A 101 -4.217 -6.285 -4.049 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.701 -5.452 -3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.603 -3.194 -3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.978 -4.307 -4.867 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.238 -3.881 -3.684 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.207 -5.138 -1.036 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.569 -4.842 0.333 1.00 0.00 C ATOM 1606 C PHE A 102 -3.848 -5.776 1.303 1.00 0.00 C ATOM 1607 O PHE A 102 -3.509 -5.380 2.409 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.081 -4.933 0.518 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.548 -4.477 1.874 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -6.921 -5.391 2.847 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -6.610 -3.123 2.175 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.346 -4.965 4.092 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.034 -2.692 3.416 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.403 -3.614 4.377 1.00 0.00 C ATOM 0 H PHE A 102 -4.966 -5.519 -1.601 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.256 -3.822 0.554 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.570 -4.330 -0.248 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.397 -5.964 0.362 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -6.879 -6.448 2.630 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -6.323 -2.397 1.428 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.633 -5.688 4.841 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.077 -1.635 3.636 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.735 -3.279 5.349 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.596 -7.016 0.875 1.00 0.00 N ATOM 1625 CA ARG A 103 -2.892 -7.982 1.721 1.00 0.00 C ATOM 1626 C ARG A 103 -1.451 -7.552 1.934 1.00 0.00 C ATOM 1627 O ARG A 103 -0.919 -7.657 3.041 1.00 0.00 O ATOM 1628 CB ARG A 103 -2.923 -9.392 1.127 1.00 0.00 C ATOM 1629 CG ARG A 103 -4.261 -10.087 1.294 1.00 0.00 C ATOM 1630 CD ARG A 103 -4.215 -11.525 0.810 1.00 0.00 C ATOM 1631 NE ARG A 103 -3.840 -11.632 -0.600 1.00 0.00 N ATOM 1632 CZ ARG A 103 -3.036 -12.583 -1.079 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -2.529 -13.496 -0.263 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -2.743 -12.623 -2.375 1.00 0.00 N ATOM 0 H ARG A 103 -3.866 -7.372 -0.042 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.412 -8.007 2.679 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -2.681 -9.336 0.066 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.147 -9.995 1.600 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -4.552 -10.066 2.344 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.025 -9.542 0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -3.503 -12.086 1.415 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -5.192 -11.986 0.958 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.213 -10.942 -1.252 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.753 -13.472 0.732 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -1.914 -14.223 -0.630 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.133 -11.925 -3.008 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.128 -13.352 -2.737 1.00 0.00 H new ATOM 1648 N GLY A 104 -0.831 -7.063 0.868 1.00 0.00 N ATOM 1649 CA GLY A 104 0.538 -6.592 0.953 1.00 0.00 C ATOM 1650 C GLY A 104 0.655 -5.382 1.856 1.00 0.00 C ATOM 1651 O GLY A 104 1.524 -5.324 2.731 1.00 0.00 O ATOM 0 H GLY A 104 -1.253 -6.984 -0.057 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.176 -7.391 1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.899 -6.339 -0.044 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.242 -4.423 1.653 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.260 -3.202 2.443 1.00 0.00 C ATOM 1657 C PHE A 105 -0.557 -3.518 3.907 1.00 0.00 C ATOM 1658 O PHE A 105 0.142 -3.051 4.802 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.297 -2.229 1.865 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.569 -1.022 2.722 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -2.869 -0.651 3.033 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -0.523 -0.255 3.211 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -3.118 0.460 3.813 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -0.768 0.856 3.994 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.066 1.214 4.294 1.00 0.00 C ATOM 0 H PHE A 105 -0.971 -4.471 0.941 1.00 0.00 H new ATOM 0 HA PHE A 105 0.721 -2.730 2.398 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -0.955 -1.894 0.886 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.233 -2.766 1.709 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -3.695 -1.238 2.661 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.495 -0.529 2.977 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.135 0.739 4.047 1.00 0.00 H new ATOM 0 HE2 PHE A 105 0.056 1.444 4.371 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.259 2.084 4.905 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.571 -4.349 4.126 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.014 -4.720 5.470 1.00 0.00 C ATOM 1677 C LYS A 106 -0.884 -5.383 6.259 1.00 0.00 C ATOM 1678 O LYS A 106 -0.625 -5.023 7.406 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.238 -5.648 5.380 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.450 -6.546 6.585 1.00 0.00 C ATOM 1681 CD LYS A 106 -4.459 -7.643 6.276 1.00 0.00 C ATOM 1682 CE LYS A 106 -4.887 -8.396 7.527 1.00 0.00 C ATOM 1683 NZ LYS A 106 -5.938 -7.665 8.282 1.00 0.00 N ATOM 0 H LYS A 106 -2.110 -4.785 3.378 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.299 -3.814 6.004 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.129 -5.037 5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.137 -6.273 4.493 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.501 -6.993 6.882 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.800 -5.952 7.429 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.336 -7.205 5.799 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.025 -8.343 5.562 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.260 -9.381 7.248 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -4.021 -8.553 8.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -5.907 -7.948 9.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -5.771 -6.641 8.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.872 -7.893 7.886 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.207 -6.334 5.623 1.00 0.00 N ATOM 1698 CA CYS A 107 0.891 -7.057 6.250 1.00 0.00 C ATOM 1699 C CYS A 107 1.998 -6.101 6.687 1.00 0.00 C ATOM 1700 O CYS A 107 2.532 -6.206 7.798 1.00 0.00 O ATOM 1701 CB CYS A 107 1.446 -8.102 5.272 1.00 0.00 C ATOM 1702 SG CYS A 107 3.056 -8.818 5.751 1.00 0.00 S ATOM 0 H CYS A 107 -0.403 -6.623 4.665 1.00 0.00 H new ATOM 0 HA CYS A 107 0.512 -7.560 7.140 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.720 -8.909 5.174 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.547 -7.642 4.289 1.00 0.00 H new ATOM 1707 N PHE A 108 2.316 -5.150 5.821 1.00 0.00 N ATOM 1708 CA PHE A 108 3.426 -4.248 6.060 1.00 0.00 C ATOM 1709 C PHE A 108 3.068 -3.215 7.124 1.00 0.00 C ATOM 1710 O PHE A 108 3.809 -3.034 8.085 1.00 0.00 O ATOM 1711 CB PHE A 108 3.838 -3.564 4.757 1.00 0.00 C ATOM 1712 CG PHE A 108 5.197 -2.926 4.819 1.00 0.00 C ATOM 1713 CD1 PHE A 108 6.332 -3.662 4.518 1.00 0.00 C ATOM 1714 CD2 PHE A 108 5.343 -1.595 5.176 1.00 0.00 C ATOM 1715 CE1 PHE A 108 7.585 -3.084 4.572 1.00 0.00 C ATOM 1716 CE2 PHE A 108 6.595 -1.012 5.232 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.717 -1.758 4.930 1.00 0.00 C ATOM 0 H PHE A 108 1.818 -4.985 4.946 1.00 0.00 H new ATOM 0 HA PHE A 108 4.271 -4.829 6.430 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.826 -4.298 3.951 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.099 -2.803 4.506 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.235 -4.701 4.238 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.469 -1.007 5.413 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.461 -3.669 4.334 1.00 0.00 H new ATOM 0 HE2 PHE A 108 6.696 0.026 5.512 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.696 -1.304 4.974 1.00 0.00 H new ATOM 1727 N GLN A 109 1.917 -2.561 6.970 1.00 0.00 N ATOM 1728 CA GLN A 109 1.484 -1.528 7.915 1.00 0.00 C ATOM 1729 C GLN A 109 1.190 -2.113 9.295 1.00 0.00 C ATOM 1730 O GLN A 109 1.119 -1.386 10.285 1.00 0.00 O ATOM 1731 CB GLN A 109 0.258 -0.777 7.380 1.00 0.00 C ATOM 1732 CG GLN A 109 -0.985 -1.633 7.174 1.00 0.00 C ATOM 1733 CD GLN A 109 -2.099 -1.317 8.156 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -2.911 -0.423 7.923 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -2.173 -2.074 9.236 1.00 0.00 N ATOM 0 H GLN A 109 1.267 -2.727 6.201 1.00 0.00 H new ATOM 0 HA GLN A 109 2.307 -0.821 8.021 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.014 0.029 8.072 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.522 -0.312 6.430 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.353 -1.489 6.158 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.714 -2.684 7.268 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -1.480 -2.806 9.394 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -2.923 -1.927 9.912 1.00 0.00 H new ATOM 1744 N LYS A 110 1.021 -3.428 9.358 1.00 0.00 N ATOM 1745 CA LYS A 110 0.785 -4.109 10.620 1.00 0.00 C ATOM 1746 C LYS A 110 2.046 -4.076 11.480 1.00 0.00 C ATOM 1747 O LYS A 110 1.972 -4.050 12.707 1.00 0.00 O ATOM 1748 CB LYS A 110 0.337 -5.552 10.339 1.00 0.00 C ATOM 1749 CG LYS A 110 -0.100 -6.349 11.563 1.00 0.00 C ATOM 1750 CD LYS A 110 1.081 -6.984 12.284 1.00 0.00 C ATOM 1751 CE LYS A 110 0.645 -7.726 13.538 1.00 0.00 C ATOM 1752 NZ LYS A 110 0.023 -6.817 14.538 1.00 0.00 N ATOM 0 H LYS A 110 1.044 -4.044 8.545 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.005 -3.600 11.173 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.489 -5.527 9.629 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.157 -6.082 9.855 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.634 -5.693 12.251 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.799 -7.128 11.258 1.00 0.00 H new ATOM 0 HD2 LYS A 110 1.589 -7.675 11.611 1.00 0.00 H new ATOM 0 HD3 LYS A 110 1.802 -6.211 12.551 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.065 -8.507 13.268 1.00 0.00 H new ATOM 0 HE3 LYS A 110 1.508 -8.220 13.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.058 -7.308 15.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 0.615 -5.969 14.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.924 -6.537 14.211 1.00 0.00 H new ATOM 1766 N ASN A 111 3.205 -4.057 10.834 1.00 0.00 N ATOM 1767 CA ASN A 111 4.473 -4.090 11.554 1.00 0.00 C ATOM 1768 C ASN A 111 5.263 -2.802 11.358 1.00 0.00 C ATOM 1769 O ASN A 111 6.033 -2.399 12.228 1.00 0.00 O ATOM 1770 CB ASN A 111 5.326 -5.281 11.105 1.00 0.00 C ATOM 1771 CG ASN A 111 4.669 -6.619 11.390 1.00 0.00 C ATOM 1772 OD1 ASN A 111 4.806 -7.167 12.481 1.00 0.00 O ATOM 1773 ND2 ASN A 111 3.959 -7.161 10.410 1.00 0.00 N ATOM 0 H ASN A 111 3.294 -4.019 9.819 1.00 0.00 H new ATOM 0 HA ASN A 111 4.235 -4.195 12.613 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.522 -5.199 10.036 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.291 -5.241 11.610 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.504 -8.063 10.549 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.868 -6.676 9.518 1.00 0.00 H new ATOM 1780 N ASN A 112 5.064 -2.153 10.220 1.00 0.00 N ATOM 1781 CA ASN A 112 5.870 -0.997 9.846 1.00 0.00 C ATOM 1782 C ASN A 112 5.002 0.123 9.294 1.00 0.00 C ATOM 1783 O ASN A 112 5.066 0.436 8.107 1.00 0.00 O ATOM 1784 CB ASN A 112 6.905 -1.398 8.793 1.00 0.00 C ATOM 1785 CG ASN A 112 7.984 -2.312 9.334 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.454 -2.143 10.458 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.360 -3.309 8.547 1.00 0.00 N ATOM 0 H ASN A 112 4.350 -2.407 9.537 1.00 0.00 H new ATOM 0 HA ASN A 112 6.375 -0.638 10.743 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.398 -1.895 7.966 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.369 -0.499 8.388 1.00 0.00 H new ATOM 0 HD21 ASN A 112 9.065 -3.973 8.867 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.944 -3.413 7.621 1.00 0.00 H new ATOM 1794 N LEU A 113 4.188 0.730 10.145 1.00 0.00 N ATOM 1795 CA LEU A 113 3.314 1.808 9.697 1.00 0.00 C ATOM 1796 C LEU A 113 4.005 3.167 9.796 1.00 0.00 C ATOM 1797 O LEU A 113 3.777 4.050 8.968 1.00 0.00 O ATOM 1798 CB LEU A 113 2.008 1.822 10.490 1.00 0.00 C ATOM 1799 CG LEU A 113 1.095 3.006 10.192 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.621 2.961 8.749 1.00 0.00 C ATOM 1801 CD2 LEU A 113 -0.083 3.021 11.149 1.00 0.00 C ATOM 0 H LEU A 113 4.113 0.500 11.136 1.00 0.00 H new ATOM 0 HA LEU A 113 3.082 1.620 8.649 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.464 0.900 10.284 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.245 1.822 11.554 1.00 0.00 H new ATOM 0 HG LEU A 113 1.661 3.927 10.335 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.030 3.813 8.553 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.482 3.001 8.082 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.070 2.037 8.576 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.725 3.872 10.923 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.652 2.098 11.040 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.281 3.103 12.173 1.00 0.00 H new ATOM 1813 N SER A 114 4.860 3.326 10.798 1.00 0.00 N ATOM 1814 CA SER A 114 5.552 4.592 11.009 1.00 0.00 C ATOM 1815 C SER A 114 6.477 4.887 9.831 1.00 0.00 C ATOM 1816 O SER A 114 6.655 6.042 9.437 1.00 0.00 O ATOM 1817 CB SER A 114 6.341 4.557 12.320 1.00 0.00 C ATOM 1818 OG SER A 114 6.886 5.829 12.630 1.00 0.00 O ATOM 0 H SER A 114 5.091 2.598 11.475 1.00 0.00 H new ATOM 0 HA SER A 114 4.812 5.390 11.077 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.689 4.232 13.130 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.144 3.824 12.244 1.00 0.00 H new ATOM 0 HG SER A 114 7.383 5.775 13.473 1.00 0.00 H new ATOM 1824 N LEU A 115 7.042 3.832 9.254 1.00 0.00 N ATOM 1825 CA LEU A 115 7.889 3.967 8.085 1.00 0.00 C ATOM 1826 C LEU A 115 7.080 4.503 6.915 1.00 0.00 C ATOM 1827 O LEU A 115 7.548 5.354 6.169 1.00 0.00 O ATOM 1828 CB LEU A 115 8.506 2.622 7.710 1.00 0.00 C ATOM 1829 CG LEU A 115 9.466 2.661 6.524 1.00 0.00 C ATOM 1830 CD1 LEU A 115 10.673 3.517 6.859 1.00 0.00 C ATOM 1831 CD2 LEU A 115 9.888 1.254 6.129 1.00 0.00 C ATOM 0 H LEU A 115 6.925 2.873 9.582 1.00 0.00 H new ATOM 0 HA LEU A 115 8.691 4.667 8.320 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.038 2.229 8.576 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.702 1.921 7.485 1.00 0.00 H new ATOM 0 HG LEU A 115 8.953 3.107 5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.352 3.538 6.006 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.347 4.531 7.089 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.188 3.097 7.723 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.572 1.304 5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.387 0.774 6.971 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.008 0.675 5.851 1.00 0.00 H new ATOM 1843 N ILE A 116 5.850 4.015 6.789 1.00 0.00 N ATOM 1844 CA ILE A 116 4.973 4.393 5.690 1.00 0.00 C ATOM 1845 C ILE A 116 4.706 5.898 5.702 1.00 0.00 C ATOM 1846 O ILE A 116 4.750 6.557 4.662 1.00 0.00 O ATOM 1847 CB ILE A 116 3.634 3.618 5.755 1.00 0.00 C ATOM 1848 CG1 ILE A 116 3.885 2.110 5.625 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.684 4.093 4.667 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.619 1.280 5.655 1.00 0.00 C ATOM 0 H ILE A 116 5.436 3.350 7.443 1.00 0.00 H new ATOM 0 HA ILE A 116 5.478 4.133 4.760 1.00 0.00 H new ATOM 0 HB ILE A 116 3.171 3.813 6.722 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.414 1.917 4.692 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.540 1.788 6.435 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.750 3.535 4.731 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.482 5.156 4.799 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.138 3.929 3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.874 0.225 5.558 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.099 1.443 6.599 1.00 0.00 H new ATOM 0 HD13 ILE A 116 1.971 1.574 4.829 1.00 0.00 H new ATOM 1862 N LYS A 117 4.461 6.433 6.892 1.00 0.00 N ATOM 1863 CA LYS A 117 4.224 7.864 7.062 1.00 0.00 C ATOM 1864 C LYS A 117 5.450 8.667 6.637 1.00 0.00 C ATOM 1865 O LYS A 117 5.337 9.713 5.994 1.00 0.00 O ATOM 1866 CB LYS A 117 3.888 8.172 8.521 1.00 0.00 C ATOM 1867 CG LYS A 117 2.625 7.479 9.016 1.00 0.00 C ATOM 1868 CD LYS A 117 2.373 7.748 10.495 1.00 0.00 C ATOM 1869 CE LYS A 117 1.093 7.080 10.978 1.00 0.00 C ATOM 1870 NZ LYS A 117 0.927 7.203 12.449 1.00 0.00 N ATOM 0 H LYS A 117 4.421 5.896 7.758 1.00 0.00 H new ATOM 0 HA LYS A 117 3.382 8.149 6.431 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.727 7.872 9.149 1.00 0.00 H new ATOM 0 HB3 LYS A 117 3.771 9.249 8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.770 7.822 8.434 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.712 6.405 8.852 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.217 7.383 11.080 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.309 8.823 10.664 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.236 7.531 10.477 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.106 6.026 10.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 0.044 6.736 12.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.732 6.751 12.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.889 8.209 12.711 1.00 0.00 H new ATOM 1884 N ALA A 118 6.622 8.160 7.000 1.00 0.00 N ATOM 1885 CA ALA A 118 7.884 8.819 6.693 1.00 0.00 C ATOM 1886 C ALA A 118 8.268 8.654 5.226 1.00 0.00 C ATOM 1887 O ALA A 118 8.948 9.507 4.655 1.00 0.00 O ATOM 1888 CB ALA A 118 8.971 8.254 7.581 1.00 0.00 C ATOM 0 H ALA A 118 6.724 7.284 7.513 1.00 0.00 H new ATOM 0 HA ALA A 118 7.766 9.886 6.880 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.918 8.745 7.354 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.714 8.427 8.626 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.066 7.183 7.403 1.00 0.00 H new ATOM 1894 N SER A 119 7.839 7.550 4.629 1.00 0.00 N ATOM 1895 CA SER A 119 8.159 7.243 3.238 1.00 0.00 C ATOM 1896 C SER A 119 7.638 8.316 2.286 1.00 0.00 C ATOM 1897 O SER A 119 8.307 8.673 1.314 1.00 0.00 O ATOM 1898 CB SER A 119 7.573 5.887 2.846 1.00 0.00 C ATOM 1899 OG SER A 119 8.083 4.857 3.670 1.00 0.00 O ATOM 0 H SER A 119 7.263 6.845 5.090 1.00 0.00 H new ATOM 0 HA SER A 119 9.245 7.213 3.155 1.00 0.00 H new ATOM 0 HB2 SER A 119 6.487 5.919 2.928 1.00 0.00 H new ATOM 0 HB3 SER A 119 7.808 5.673 1.803 1.00 0.00 H new ATOM 0 HG SER A 119 7.646 4.893 4.547 1.00 0.00 H new ATOM 1905 N ILE A 120 6.446 8.823 2.569 1.00 0.00 N ATOM 1906 CA ILE A 120 5.824 9.830 1.720 1.00 0.00 C ATOM 1907 C ILE A 120 6.168 11.238 2.190 1.00 0.00 C ATOM 1908 O ILE A 120 5.824 12.222 1.538 1.00 0.00 O ATOM 1909 CB ILE A 120 4.291 9.669 1.689 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.721 9.655 3.108 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.913 8.399 0.950 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.216 9.782 3.155 1.00 0.00 C ATOM 0 H ILE A 120 5.890 8.553 3.380 1.00 0.00 H new ATOM 0 HA ILE A 120 6.218 9.682 0.715 1.00 0.00 H new ATOM 0 HB ILE A 120 3.863 10.521 1.160 1.00 0.00 H new ATOM 0 HG12 ILE A 120 4.015 8.728 3.600 1.00 0.00 H new ATOM 0 HG13 ILE A 120 4.164 10.472 3.677 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.828 8.296 0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.287 8.448 -0.073 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.352 7.539 1.456 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.882 9.765 4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.916 10.722 2.693 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.764 8.951 2.614 1.00 0.00 H new ATOM 1924 N LYS A 121 6.855 11.330 3.318 1.00 0.00 N ATOM 1925 CA LYS A 121 7.196 12.617 3.894 1.00 0.00 C ATOM 1926 C LYS A 121 8.544 13.091 3.373 1.00 0.00 C ATOM 1927 O LYS A 121 9.555 12.402 3.520 1.00 0.00 O ATOM 1928 CB LYS A 121 7.228 12.514 5.417 1.00 0.00 C ATOM 1929 CG LYS A 121 7.286 13.863 6.118 1.00 0.00 C ATOM 1930 CD LYS A 121 7.368 13.711 7.629 1.00 0.00 C ATOM 1931 CE LYS A 121 6.170 12.958 8.189 1.00 0.00 C ATOM 1932 NZ LYS A 121 6.263 12.781 9.663 1.00 0.00 N ATOM 0 H LYS A 121 7.187 10.527 3.852 1.00 0.00 H new ATOM 0 HA LYS A 121 6.437 13.343 3.603 1.00 0.00 H new ATOM 0 HB2 LYS A 121 6.342 11.976 5.755 1.00 0.00 H new ATOM 0 HB3 LYS A 121 8.093 11.922 5.715 1.00 0.00 H new ATOM 0 HG2 LYS A 121 8.152 14.421 5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 121 6.402 14.446 5.859 1.00 0.00 H new ATOM 0 HD2 LYS A 121 8.284 13.182 7.892 1.00 0.00 H new ATOM 0 HD3 LYS A 121 7.425 14.697 8.091 1.00 0.00 H new ATOM 0 HE2 LYS A 121 5.256 13.499 7.946 1.00 0.00 H new ATOM 0 HE3 LYS A 121 6.099 11.981 7.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 5.428 12.264 10.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 7.122 12.242 9.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 6.304 13.713 10.123 1.00 0.00 H new