USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 811 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 17 CYS SG : rot 60:sc= -1.35 USER MOD Set 1.2: A 117 MET CE :methyl -121:sc= -2.86! (180deg=-3.62!) USER MOD Set 2.1: A 90 TYR OH : rot -138:sc= 1.29 USER MOD Set 2.2: A 107 GLN : amide:sc= 0.988 K(o=2.3,f=-3.2) USER MOD Set 3.1: A 89 CYS SG : rot -94:sc= 0.0383 USER MOD Set 3.2: A 93 ASN : amide:sc= 0 K(o=-0.46,f=-0.99) USER MOD Set 3.3: A 97 HIS : no HD1:sc= -0.494 K(o=-0.46,f=-3.2!) USER MOD Set 4.1: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 29 HIS : no HD1:sc= 0.588 K(o=1.3,f=-2.4) USER MOD Set 4.3: A 32 TYR OH : rot -31:sc= 0.683 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.19 X(o=-0.19,f=0.035) USER MOD Single : A 16 TYR OH : rot -27:sc= 0.349 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 135:sc= -0.402 (180deg=-0.779) USER MOD Single : A 26 SER OG : rot 180:sc= -0.042 USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= -0.0355 (180deg=-0.312) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0619 USER MOD Single : A 38 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0416) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.51) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS :FLIP no HD1:sc= -0.338 F(o=-3.3!,f=-0.34) USER MOD Single : A 58 MET CE :methyl 156:sc= 0 (180deg=-0.883) USER MOD Single : A 61 SER OG : rot -18:sc= -0.494 USER MOD Single : A 62 THR OG1 : rot 90:sc= 1.31 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 141:sc= 0.15 (180deg=-0.237) USER MOD Single : A 67 MET CE :methyl -115:sc= -2.88! (180deg=-7.45!) USER MOD Single : A 72 TYR OH : rot 8:sc= -0.155 USER MOD Single : A 76 GLN : amide:sc= -0.0116 X(o=-0.012,f=-0.012) USER MOD Single : A 85 MET CE :methyl -156:sc= -0.0688 (180deg=-1.81) USER MOD Single : A 87 SER OG : rot 78:sc= 0.293 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.313 F(o=-0.99,f=-0.31) USER MOD Single : A 91 LYS NZ :NH3+ 165:sc= -1.93! (180deg=-2.73!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -127:sc= -1.68 (180deg=-3.65) USER MOD Single : A 105 LYS NZ :NH3+ 164:sc= -0.0265 (180deg=-0.261) USER MOD Single : A 112 MET CE :methyl 166:sc= 0 (180deg=-0.29) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 114 N SER A 11 -4.279 17.821 6.153 1.00 0.00 N ATOM 115 CA SER A 11 -4.953 18.617 5.134 1.00 0.00 C ATOM 116 C SER A 11 -6.463 18.404 5.190 1.00 0.00 C ATOM 117 O SER A 11 -6.954 17.562 5.941 1.00 0.00 O ATOM 118 CB SER A 11 -4.426 18.257 3.744 1.00 0.00 C ATOM 119 OG SER A 11 -4.578 19.341 2.844 1.00 0.00 O ATOM 0 HA SER A 11 -4.744 19.668 5.332 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.374 17.981 3.811 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.960 17.387 3.363 1.00 0.00 H new ATOM 0 HG SER A 11 -4.232 19.086 1.963 1.00 0.00 H new ATOM 125 N GLU A 12 -7.193 19.174 4.389 1.00 0.00 N ATOM 126 CA GLU A 12 -8.647 19.070 4.347 1.00 0.00 C ATOM 127 C GLU A 12 -9.080 17.673 3.914 1.00 0.00 C ATOM 128 O GLU A 12 -10.093 17.151 4.382 1.00 0.00 O ATOM 129 CB GLU A 12 -9.227 20.115 3.392 1.00 0.00 C ATOM 130 CG GLU A 12 -8.715 19.990 1.967 1.00 0.00 C ATOM 131 CD GLU A 12 -8.814 21.291 1.195 1.00 0.00 C ATOM 132 OE1 GLU A 12 -7.910 22.140 1.343 1.00 0.00 O ATOM 133 OE2 GLU A 12 -9.796 21.459 0.442 1.00 0.00 O ATOM 0 H GLU A 12 -6.802 19.876 3.761 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.029 19.254 5.351 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.313 20.027 3.387 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.989 21.110 3.768 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.676 19.661 1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.284 19.219 1.447 1.00 0.00 H new ATOM 140 N HIS A 13 -8.306 17.071 3.016 1.00 0.00 N ATOM 141 CA HIS A 13 -8.609 15.734 2.518 1.00 0.00 C ATOM 142 C HIS A 13 -7.846 14.675 3.308 1.00 0.00 C ATOM 143 O HIS A 13 -8.420 13.672 3.737 1.00 0.00 O ATOM 144 CB HIS A 13 -8.262 15.628 1.033 1.00 0.00 C ATOM 145 CG HIS A 13 -9.052 16.558 0.165 1.00 0.00 C ATOM 146 ND1 HIS A 13 -8.479 17.350 -0.807 1.00 0.00 N ATOM 147 CD2 HIS A 13 -10.380 16.819 0.126 1.00 0.00 C ATOM 148 CE1 HIS A 13 -9.419 18.060 -1.405 1.00 0.00 C ATOM 149 NE2 HIS A 13 -10.582 17.755 -0.858 1.00 0.00 N ATOM 0 H HIS A 13 -7.464 17.488 2.618 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.677 15.559 2.646 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -7.200 15.835 0.901 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -8.431 14.603 0.701 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -11.139 16.374 0.752 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -9.263 18.769 -2.205 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -11.484 18.151 -1.124 1.00 0.00 H new ATOM 157 N LEU A 14 -6.551 14.903 3.497 1.00 0.00 N ATOM 158 CA LEU A 14 -5.709 13.968 4.235 1.00 0.00 C ATOM 159 C LEU A 14 -6.388 13.527 5.528 1.00 0.00 C ATOM 160 O LEU A 14 -6.553 12.333 5.778 1.00 0.00 O ATOM 161 CB LEU A 14 -4.356 14.608 4.548 1.00 0.00 C ATOM 162 CG LEU A 14 -3.222 13.643 4.897 1.00 0.00 C ATOM 163 CD1 LEU A 14 -2.937 12.711 3.730 1.00 0.00 C ATOM 164 CD2 LEU A 14 -1.968 14.413 5.286 1.00 0.00 C ATOM 0 H LEU A 14 -6.061 15.727 3.149 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.552 13.088 3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.049 15.201 3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.487 15.299 5.381 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.533 13.039 5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.127 12.032 3.996 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.833 12.135 3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.646 13.298 2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.171 13.711 5.531 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.654 15.042 4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.180 15.039 6.153 1.00 0.00 H new ATOM 176 N ARG A 15 -6.781 14.499 6.345 1.00 0.00 N ATOM 177 CA ARG A 15 -7.443 14.212 7.611 1.00 0.00 C ATOM 178 C ARG A 15 -8.397 13.030 7.470 1.00 0.00 C ATOM 179 O ARG A 15 -8.475 12.173 8.351 1.00 0.00 O ATOM 180 CB ARG A 15 -8.207 15.443 8.103 1.00 0.00 C ATOM 181 CG ARG A 15 -9.352 15.853 7.191 1.00 0.00 C ATOM 182 CD ARG A 15 -9.878 17.235 7.545 1.00 0.00 C ATOM 183 NE ARG A 15 -10.948 17.659 6.646 1.00 0.00 N ATOM 184 CZ ARG A 15 -12.224 17.330 6.815 1.00 0.00 C ATOM 185 NH1 ARG A 15 -12.587 16.577 7.844 1.00 0.00 N ATOM 186 NH2 ARG A 15 -13.140 17.756 5.954 1.00 0.00 N ATOM 0 H ARG A 15 -6.652 15.492 6.152 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.677 13.953 8.342 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.601 15.242 9.099 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.512 16.278 8.198 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.014 15.846 6.155 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.159 15.124 7.268 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.246 17.231 8.571 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.061 17.956 7.502 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.702 18.240 5.844 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.886 16.249 8.508 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.567 16.326 7.971 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.864 18.336 5.162 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.119 17.503 6.085 1.00 0.00 H new ATOM 200 N TYR A 16 -9.121 12.991 6.357 1.00 0.00 N ATOM 201 CA TYR A 16 -10.073 11.916 6.102 1.00 0.00 C ATOM 202 C TYR A 16 -9.355 10.652 5.636 1.00 0.00 C ATOM 203 O TYR A 16 -9.772 9.537 5.952 1.00 0.00 O ATOM 204 CB TYR A 16 -11.096 12.351 5.051 1.00 0.00 C ATOM 205 CG TYR A 16 -12.028 11.242 4.617 1.00 0.00 C ATOM 206 CD1 TYR A 16 -11.554 10.151 3.900 1.00 0.00 C ATOM 207 CD2 TYR A 16 -13.382 11.286 4.926 1.00 0.00 C ATOM 208 CE1 TYR A 16 -12.402 9.136 3.501 1.00 0.00 C ATOM 209 CE2 TYR A 16 -14.237 10.275 4.533 1.00 0.00 C ATOM 210 CZ TYR A 16 -13.743 9.202 3.821 1.00 0.00 C ATOM 211 OH TYR A 16 -14.591 8.192 3.427 1.00 0.00 O ATOM 0 H TYR A 16 -9.067 13.691 5.617 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.592 11.695 7.035 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -11.687 13.175 5.451 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.567 12.732 4.177 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.505 10.095 3.650 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -13.772 12.125 5.483 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.018 8.296 2.942 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.287 10.324 4.782 1.00 0.00 H new ATOM 0 HH TYR A 16 -14.237 7.764 2.619 1.00 0.00 H new ATOM 221 N CYS A 17 -8.275 10.836 4.886 1.00 0.00 N ATOM 222 CA CYS A 17 -7.498 9.712 4.376 1.00 0.00 C ATOM 223 C CYS A 17 -6.843 8.941 5.518 1.00 0.00 C ATOM 224 O CYS A 17 -6.889 7.711 5.557 1.00 0.00 O ATOM 225 CB CYS A 17 -6.430 10.204 3.399 1.00 0.00 C ATOM 226 SG CYS A 17 -7.087 11.134 1.994 1.00 0.00 S ATOM 0 H CYS A 17 -7.917 11.753 4.617 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.178 9.041 3.851 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.722 10.833 3.938 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.873 9.346 3.024 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.716 12.186 2.426 1.00 0.00 H new ATOM 232 N ASP A 18 -6.234 9.672 6.445 1.00 0.00 N ATOM 233 CA ASP A 18 -5.568 9.057 7.588 1.00 0.00 C ATOM 234 C ASP A 18 -6.437 7.961 8.198 1.00 0.00 C ATOM 235 O ASP A 18 -5.930 7.022 8.811 1.00 0.00 O ATOM 236 CB ASP A 18 -5.243 10.114 8.644 1.00 0.00 C ATOM 237 CG ASP A 18 -4.402 9.559 9.778 1.00 0.00 C ATOM 238 OD1 ASP A 18 -4.787 8.515 10.345 1.00 0.00 O ATOM 239 OD2 ASP A 18 -3.361 10.170 10.099 1.00 0.00 O ATOM 0 H ASP A 18 -6.188 10.691 6.428 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.639 8.607 7.238 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.713 10.942 8.174 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.171 10.518 9.048 1.00 0.00 H new ATOM 244 N SER A 19 -7.749 8.089 8.026 1.00 0.00 N ATOM 245 CA SER A 19 -8.689 7.113 8.563 1.00 0.00 C ATOM 246 C SER A 19 -8.770 5.884 7.663 1.00 0.00 C ATOM 247 O SER A 19 -8.649 4.751 8.129 1.00 0.00 O ATOM 248 CB SER A 19 -10.077 7.740 8.716 1.00 0.00 C ATOM 249 OG SER A 19 -10.023 8.909 9.515 1.00 0.00 O ATOM 0 H SER A 19 -8.185 8.859 7.519 1.00 0.00 H new ATOM 0 HA SER A 19 -8.329 6.801 9.543 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.479 7.986 7.733 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.758 7.018 9.167 1.00 0.00 H new ATOM 0 HG SER A 19 -10.922 9.292 9.596 1.00 0.00 H new ATOM 255 N ILE A 20 -8.976 6.117 6.371 1.00 0.00 N ATOM 256 CA ILE A 20 -9.072 5.030 5.405 1.00 0.00 C ATOM 257 C ILE A 20 -8.069 3.925 5.719 1.00 0.00 C ATOM 258 O ILE A 20 -8.285 2.761 5.379 1.00 0.00 O ATOM 259 CB ILE A 20 -8.833 5.531 3.968 1.00 0.00 C ATOM 260 CG1 ILE A 20 -9.781 6.688 3.645 1.00 0.00 C ATOM 261 CG2 ILE A 20 -9.017 4.395 2.974 1.00 0.00 C ATOM 262 CD1 ILE A 20 -9.700 7.152 2.207 1.00 0.00 C ATOM 0 H ILE A 20 -9.080 7.049 5.969 1.00 0.00 H new ATOM 0 HA ILE A 20 -10.084 4.631 5.479 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.808 5.893 3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -10.804 6.380 3.862 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.554 7.527 4.302 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.845 4.765 1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.306 3.599 3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -10.032 4.006 3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -10.399 7.974 2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.687 7.491 1.991 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.956 6.326 1.543 1.00 0.00 H new ATOM 274 N LEU A 21 -6.973 4.297 6.371 1.00 0.00 N ATOM 275 CA LEU A 21 -5.936 3.337 6.733 1.00 0.00 C ATOM 276 C LEU A 21 -6.311 2.585 8.007 1.00 0.00 C ATOM 277 O LEU A 21 -6.177 1.363 8.080 1.00 0.00 O ATOM 278 CB LEU A 21 -4.597 4.051 6.925 1.00 0.00 C ATOM 279 CG LEU A 21 -3.456 3.199 7.483 1.00 0.00 C ATOM 280 CD1 LEU A 21 -3.143 2.044 6.543 1.00 0.00 C ATOM 281 CD2 LEU A 21 -2.217 4.052 7.713 1.00 0.00 C ATOM 0 H LEU A 21 -6.779 5.256 6.660 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.843 2.616 5.921 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.284 4.457 5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.752 4.898 7.594 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.772 2.786 8.441 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.329 1.449 6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.028 1.418 6.428 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.848 2.437 5.570 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.415 3.429 8.110 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.899 4.494 6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.448 4.844 8.425 1.00 0.00 H new ATOM 293 N ARG A 22 -6.783 3.323 9.006 1.00 0.00 N ATOM 294 CA ARG A 22 -7.179 2.726 10.276 1.00 0.00 C ATOM 295 C ARG A 22 -8.255 1.664 10.066 1.00 0.00 C ATOM 296 O ARG A 22 -8.278 0.645 10.755 1.00 0.00 O ATOM 297 CB ARG A 22 -7.691 3.804 11.233 1.00 0.00 C ATOM 298 CG ARG A 22 -9.189 4.043 11.136 1.00 0.00 C ATOM 299 CD ARG A 22 -9.674 4.988 12.224 1.00 0.00 C ATOM 300 NE ARG A 22 -10.974 5.570 11.904 1.00 0.00 N ATOM 301 CZ ARG A 22 -11.738 6.195 12.793 1.00 0.00 C ATOM 302 NH1 ARG A 22 -11.333 6.320 14.049 1.00 0.00 N ATOM 303 NH2 ARG A 22 -12.910 6.699 12.425 1.00 0.00 N ATOM 0 H ARG A 22 -6.901 4.335 8.961 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.302 2.248 10.713 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.443 3.518 12.255 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.169 4.738 11.027 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.430 4.459 10.158 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.716 3.092 11.217 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.741 4.449 13.169 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.944 5.786 12.363 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.314 5.493 10.946 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.432 5.936 14.335 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.922 6.800 14.729 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.224 6.606 11.459 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.496 7.179 13.108 1.00 0.00 H new ATOM 317 N GLU A 23 -9.145 1.912 9.109 1.00 0.00 N ATOM 318 CA GLU A 23 -10.224 0.978 8.810 1.00 0.00 C ATOM 319 C GLU A 23 -9.688 -0.263 8.101 1.00 0.00 C ATOM 320 O GLU A 23 -10.013 -1.390 8.471 1.00 0.00 O ATOM 321 CB GLU A 23 -11.288 1.654 7.944 1.00 0.00 C ATOM 322 CG GLU A 23 -12.163 0.675 7.179 1.00 0.00 C ATOM 323 CD GLU A 23 -13.167 -0.030 8.071 1.00 0.00 C ATOM 324 OE1 GLU A 23 -12.949 -0.058 9.301 1.00 0.00 O ATOM 325 OE2 GLU A 23 -14.168 -0.553 7.540 1.00 0.00 O ATOM 0 H GLU A 23 -9.140 2.751 8.529 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.676 0.670 9.753 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.921 2.274 8.579 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.797 2.321 7.235 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.694 1.208 6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.531 -0.068 6.692 1.00 0.00 H new ATOM 332 N MET A 24 -8.866 -0.045 7.079 1.00 0.00 N ATOM 333 CA MET A 24 -8.285 -1.145 6.318 1.00 0.00 C ATOM 334 C MET A 24 -7.487 -2.073 7.228 1.00 0.00 C ATOM 335 O MET A 24 -7.402 -3.277 6.983 1.00 0.00 O ATOM 336 CB MET A 24 -7.386 -0.604 5.206 1.00 0.00 C ATOM 337 CG MET A 24 -8.154 -0.088 4.000 1.00 0.00 C ATOM 338 SD MET A 24 -7.298 1.255 3.154 1.00 0.00 S ATOM 339 CE MET A 24 -5.729 0.475 2.781 1.00 0.00 C ATOM 0 H MET A 24 -8.588 0.883 6.759 1.00 0.00 H new ATOM 0 HA MET A 24 -9.099 -1.716 5.871 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.771 0.202 5.607 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.707 -1.393 4.883 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.317 -0.908 3.300 1.00 0.00 H new ATOM 0 HG3 MET A 24 -9.137 0.258 4.321 1.00 0.00 H new ATOM 0 HE1 MET A 24 -5.448 0.698 1.752 1.00 0.00 H new ATOM 0 HE2 MET A 24 -4.964 0.856 3.457 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.820 -0.604 2.907 1.00 0.00 H new ATOM 349 N LEU A 25 -6.902 -1.506 8.278 1.00 0.00 N ATOM 350 CA LEU A 25 -6.110 -2.283 9.224 1.00 0.00 C ATOM 351 C LEU A 25 -6.998 -2.903 10.298 1.00 0.00 C ATOM 352 O LEU A 25 -6.607 -3.002 11.461 1.00 0.00 O ATOM 353 CB LEU A 25 -5.045 -1.399 9.875 1.00 0.00 C ATOM 354 CG LEU A 25 -3.720 -1.279 9.122 1.00 0.00 C ATOM 355 CD1 LEU A 25 -2.873 -0.158 9.705 1.00 0.00 C ATOM 356 CD2 LEU A 25 -2.962 -2.598 9.164 1.00 0.00 C ATOM 0 H LEU A 25 -6.962 -0.511 8.495 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.620 -3.087 8.675 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.460 -0.399 10.002 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.839 -1.788 10.872 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.937 -1.039 8.081 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.934 -0.088 9.156 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.412 0.786 9.623 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.665 -0.367 10.754 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.021 -2.494 8.623 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.757 -2.867 10.200 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.564 -3.379 8.699 1.00 0.00 H new ATOM 368 N SER A 26 -8.195 -3.321 9.900 1.00 0.00 N ATOM 369 CA SER A 26 -9.140 -3.931 10.828 1.00 0.00 C ATOM 370 C SER A 26 -9.096 -5.452 10.728 1.00 0.00 C ATOM 371 O SER A 26 -8.720 -6.008 9.695 1.00 0.00 O ATOM 372 CB SER A 26 -10.558 -3.431 10.547 1.00 0.00 C ATOM 373 OG SER A 26 -11.518 -4.189 11.263 1.00 0.00 O ATOM 0 H SER A 26 -8.534 -3.248 8.941 1.00 0.00 H new ATOM 0 HA SER A 26 -8.854 -3.643 11.840 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.638 -2.380 10.826 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.764 -3.494 9.478 1.00 0.00 H new ATOM 0 HG SER A 26 -12.416 -3.848 11.067 1.00 0.00 H new ATOM 379 N LYS A 27 -9.483 -6.122 11.808 1.00 0.00 N ATOM 380 CA LYS A 27 -9.490 -7.579 11.844 1.00 0.00 C ATOM 381 C LYS A 27 -10.393 -8.146 10.752 1.00 0.00 C ATOM 382 O LYS A 27 -10.110 -9.202 10.185 1.00 0.00 O ATOM 383 CB LYS A 27 -9.958 -8.074 13.215 1.00 0.00 C ATOM 384 CG LYS A 27 -8.828 -8.256 14.213 1.00 0.00 C ATOM 385 CD LYS A 27 -8.573 -6.985 15.005 1.00 0.00 C ATOM 386 CE LYS A 27 -9.586 -6.814 16.127 1.00 0.00 C ATOM 387 NZ LYS A 27 -9.405 -7.833 17.197 1.00 0.00 N ATOM 0 H LYS A 27 -9.796 -5.678 12.671 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.472 -7.927 11.667 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.680 -7.365 13.621 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.479 -9.024 13.091 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.073 -9.069 14.897 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.919 -8.546 13.686 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.567 -7.011 15.423 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.619 -6.124 14.338 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.489 -5.816 16.555 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.595 -6.889 15.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.872 -7.508 18.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.827 -8.734 16.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.390 -7.970 17.378 1.00 0.00 H new ATOM 401 N LYS A 28 -11.479 -7.438 10.462 1.00 0.00 N ATOM 402 CA LYS A 28 -12.422 -7.869 9.437 1.00 0.00 C ATOM 403 C LYS A 28 -11.739 -7.965 8.076 1.00 0.00 C ATOM 404 O LYS A 28 -11.737 -9.023 7.445 1.00 0.00 O ATOM 405 CB LYS A 28 -13.601 -6.897 9.359 1.00 0.00 C ATOM 406 CG LYS A 28 -14.825 -7.479 8.673 1.00 0.00 C ATOM 407 CD LYS A 28 -14.787 -7.244 7.172 1.00 0.00 C ATOM 408 CE LYS A 28 -16.188 -7.142 6.588 1.00 0.00 C ATOM 409 NZ LYS A 28 -16.216 -6.303 5.358 1.00 0.00 N ATOM 0 H LYS A 28 -11.728 -6.563 10.923 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.791 -8.858 9.710 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.873 -6.588 10.368 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -13.287 -6.000 8.824 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.881 -8.549 8.873 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.726 -7.029 9.090 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.236 -6.328 6.960 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.249 -8.059 6.689 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.558 -8.140 6.355 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.862 -6.718 7.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.188 -6.258 4.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.887 -5.343 5.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.593 -6.721 4.638 1.00 0.00 H new ATOM 423 N HIS A 29 -11.159 -6.856 7.630 1.00 0.00 N ATOM 424 CA HIS A 29 -10.471 -6.817 6.344 1.00 0.00 C ATOM 425 C HIS A 29 -9.174 -7.619 6.398 1.00 0.00 C ATOM 426 O HIS A 29 -8.746 -8.193 5.397 1.00 0.00 O ATOM 427 CB HIS A 29 -10.174 -5.371 5.945 1.00 0.00 C ATOM 428 CG HIS A 29 -11.403 -4.555 5.692 1.00 0.00 C ATOM 429 ND1 HIS A 29 -12.458 -5.001 4.924 1.00 0.00 N ATOM 430 CD2 HIS A 29 -11.744 -3.314 6.112 1.00 0.00 C ATOM 431 CE1 HIS A 29 -13.394 -4.069 4.882 1.00 0.00 C ATOM 432 NE2 HIS A 29 -12.985 -3.035 5.595 1.00 0.00 N ATOM 0 H HIS A 29 -11.151 -5.972 8.139 1.00 0.00 H new ATOM 0 HA HIS A 29 -11.124 -7.266 5.596 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -9.590 -4.898 6.734 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.556 -5.370 5.047 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -11.150 -2.664 6.738 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.334 -4.141 4.354 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.506 -2.170 5.738 1.00 0.00 H new ATOM 440 N ALA A 30 -8.553 -7.653 7.572 1.00 0.00 N ATOM 441 CA ALA A 30 -7.306 -8.386 7.756 1.00 0.00 C ATOM 442 C ALA A 30 -7.291 -9.663 6.922 1.00 0.00 C ATOM 443 O ALA A 30 -6.301 -9.971 6.260 1.00 0.00 O ATOM 444 CB ALA A 30 -7.098 -8.712 9.227 1.00 0.00 C ATOM 0 H ALA A 30 -8.893 -7.182 8.410 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.487 -7.752 7.416 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.163 -9.259 9.350 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.055 -7.787 9.802 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.926 -9.324 9.585 1.00 0.00 H new ATOM 450 N ALA A 31 -8.396 -10.401 6.959 1.00 0.00 N ATOM 451 CA ALA A 31 -8.509 -11.644 6.206 1.00 0.00 C ATOM 452 C ALA A 31 -7.876 -11.508 4.825 1.00 0.00 C ATOM 453 O ALA A 31 -7.106 -12.369 4.398 1.00 0.00 O ATOM 454 CB ALA A 31 -9.970 -12.053 6.081 1.00 0.00 C ATOM 0 H ALA A 31 -9.225 -10.160 7.502 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.970 -12.420 6.749 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.041 -12.983 5.517 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.393 -12.199 7.075 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.524 -11.271 5.562 1.00 0.00 H new ATOM 460 N TYR A 32 -8.205 -10.424 4.132 1.00 0.00 N ATOM 461 CA TYR A 32 -7.670 -10.178 2.798 1.00 0.00 C ATOM 462 C TYR A 32 -6.860 -8.886 2.766 1.00 0.00 C ATOM 463 O TYR A 32 -6.721 -8.253 1.719 1.00 0.00 O ATOM 464 CB TYR A 32 -8.806 -10.107 1.776 1.00 0.00 C ATOM 465 CG TYR A 32 -10.061 -9.453 2.309 1.00 0.00 C ATOM 466 CD1 TYR A 32 -10.187 -8.070 2.342 1.00 0.00 C ATOM 467 CD2 TYR A 32 -11.120 -10.219 2.780 1.00 0.00 C ATOM 468 CE1 TYR A 32 -11.332 -7.469 2.829 1.00 0.00 C ATOM 469 CE2 TYR A 32 -12.269 -9.627 3.267 1.00 0.00 C ATOM 470 CZ TYR A 32 -12.370 -8.251 3.290 1.00 0.00 C ATOM 471 OH TYR A 32 -13.512 -7.656 3.775 1.00 0.00 O ATOM 0 H TYR A 32 -8.840 -9.701 4.472 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.009 -11.006 2.540 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.462 -9.555 0.901 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -9.046 -11.116 1.442 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.377 -7.454 1.981 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.044 -11.296 2.765 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.414 -6.392 2.848 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -13.084 -10.238 3.628 1.00 0.00 H new ATOM 0 HH TYR A 32 -13.284 -6.794 4.183 1.00 0.00 H new ATOM 481 N ALA A 33 -6.327 -8.500 3.921 1.00 0.00 N ATOM 482 CA ALA A 33 -5.528 -7.286 4.025 1.00 0.00 C ATOM 483 C ALA A 33 -4.211 -7.555 4.746 1.00 0.00 C ATOM 484 O ALA A 33 -3.414 -6.642 4.964 1.00 0.00 O ATOM 485 CB ALA A 33 -6.313 -6.198 4.745 1.00 0.00 C ATOM 0 H ALA A 33 -6.434 -9.011 4.797 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.297 -6.945 3.016 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.704 -5.297 4.816 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.224 -5.978 4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.573 -6.540 5.747 1.00 0.00 H new ATOM 491 N TRP A 34 -3.990 -8.812 5.113 1.00 0.00 N ATOM 492 CA TRP A 34 -2.769 -9.200 5.810 1.00 0.00 C ATOM 493 C TRP A 34 -1.621 -9.399 4.827 1.00 0.00 C ATOM 494 O TRP A 34 -0.450 -9.190 5.147 1.00 0.00 O ATOM 495 CB TRP A 34 -3.000 -10.484 6.609 1.00 0.00 C ATOM 496 CG TRP A 34 -3.189 -11.695 5.747 1.00 0.00 C ATOM 497 CD1 TRP A 34 -4.356 -12.365 5.519 1.00 0.00 C ATOM 498 CD2 TRP A 34 -2.178 -12.380 4.999 1.00 0.00 C ATOM 499 NE1 TRP A 34 -4.133 -13.426 4.674 1.00 0.00 N ATOM 500 CE2 TRP A 34 -2.805 -13.457 4.341 1.00 0.00 C ATOM 501 CE3 TRP A 34 -0.805 -12.189 4.821 1.00 0.00 C ATOM 502 CZ2 TRP A 34 -2.104 -14.336 3.520 1.00 0.00 C ATOM 503 CZ3 TRP A 34 -0.111 -13.063 4.005 1.00 0.00 C ATOM 504 CH2 TRP A 34 -0.761 -14.125 3.363 1.00 0.00 C ATOM 0 H TRP A 34 -4.639 -9.579 4.940 1.00 0.00 H new ATOM 0 HA TRP A 34 -2.501 -8.396 6.496 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -2.151 -10.648 7.272 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.879 -10.357 7.241 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -5.314 -12.100 5.941 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -4.841 -14.083 4.348 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.295 -11.373 5.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -2.603 -15.156 3.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 0.950 -12.925 3.860 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.191 -14.790 2.732 1.00 0.00 H new ATOM 515 N PRO A 35 -1.958 -9.813 3.597 1.00 0.00 N ATOM 516 CA PRO A 35 -0.881 -10.015 2.624 1.00 0.00 C ATOM 517 C PRO A 35 0.086 -8.837 2.577 1.00 0.00 C ATOM 518 O PRO A 35 1.221 -8.970 2.118 1.00 0.00 O ATOM 519 CB PRO A 35 -1.625 -10.149 1.293 1.00 0.00 C ATOM 520 CG PRO A 35 -2.978 -10.649 1.665 1.00 0.00 C ATOM 521 CD PRO A 35 -3.283 -10.114 3.030 1.00 0.00 C ATOM 0 HA PRO A 35 -0.265 -10.879 2.872 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.685 -9.192 0.775 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.117 -10.843 0.623 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.724 -10.315 0.944 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.000 -11.739 1.664 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.908 -9.222 2.979 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.820 -10.845 3.635 1.00 0.00 H new ATOM 529 N PHE A 36 -0.370 -7.684 3.055 1.00 0.00 N ATOM 530 CA PHE A 36 0.455 -6.481 3.067 1.00 0.00 C ATOM 531 C PHE A 36 0.638 -5.962 4.490 1.00 0.00 C ATOM 532 O PHE A 36 0.662 -4.753 4.723 1.00 0.00 O ATOM 533 CB PHE A 36 -0.176 -5.395 2.193 1.00 0.00 C ATOM 534 CG PHE A 36 -0.866 -5.934 0.972 1.00 0.00 C ATOM 535 CD1 PHE A 36 -0.165 -6.128 -0.207 1.00 0.00 C ATOM 536 CD2 PHE A 36 -2.216 -6.246 1.004 1.00 0.00 C ATOM 537 CE1 PHE A 36 -0.796 -6.624 -1.332 1.00 0.00 C ATOM 538 CE2 PHE A 36 -2.852 -6.742 -0.117 1.00 0.00 C ATOM 539 CZ PHE A 36 -2.143 -6.931 -1.287 1.00 0.00 C ATOM 0 H PHE A 36 -1.306 -7.557 3.439 1.00 0.00 H new ATOM 0 HA PHE A 36 1.434 -6.738 2.664 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.895 -4.833 2.789 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.599 -4.694 1.883 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.887 -5.889 -0.247 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.777 -6.100 1.915 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.238 -6.771 -2.245 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.904 -6.982 -0.079 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.640 -7.318 -2.165 1.00 0.00 H new ATOM 549 N TYR A 37 0.768 -6.884 5.438 1.00 0.00 N ATOM 550 CA TYR A 37 0.946 -6.520 6.838 1.00 0.00 C ATOM 551 C TYR A 37 2.418 -6.584 7.235 1.00 0.00 C ATOM 552 O TYR A 37 2.973 -5.621 7.764 1.00 0.00 O ATOM 553 CB TYR A 37 0.123 -7.446 7.736 1.00 0.00 C ATOM 554 CG TYR A 37 -1.269 -6.931 8.023 1.00 0.00 C ATOM 555 CD1 TYR A 37 -1.968 -6.194 7.075 1.00 0.00 C ATOM 556 CD2 TYR A 37 -1.885 -7.181 9.243 1.00 0.00 C ATOM 557 CE1 TYR A 37 -3.240 -5.721 7.333 1.00 0.00 C ATOM 558 CE2 TYR A 37 -3.158 -6.713 9.509 1.00 0.00 C ATOM 559 CZ TYR A 37 -3.831 -5.984 8.551 1.00 0.00 C ATOM 560 OH TYR A 37 -5.098 -5.515 8.813 1.00 0.00 O ATOM 0 H TYR A 37 0.753 -7.889 5.262 1.00 0.00 H new ATOM 0 HA TYR A 37 0.598 -5.495 6.968 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.049 -8.425 7.263 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.651 -7.587 8.679 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.509 -5.987 6.120 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.360 -7.750 9.996 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.769 -5.149 6.585 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.623 -6.917 10.462 1.00 0.00 H new ATOM 0 HH TYR A 37 -5.368 -5.788 9.715 1.00 0.00 H new ATOM 570 N LYS A 38 3.044 -7.726 6.974 1.00 0.00 N ATOM 571 CA LYS A 38 4.452 -7.919 7.301 1.00 0.00 C ATOM 572 C LYS A 38 5.339 -7.581 6.107 1.00 0.00 C ATOM 573 O LYS A 38 4.948 -7.734 4.949 1.00 0.00 O ATOM 574 CB LYS A 38 4.702 -9.363 7.743 1.00 0.00 C ATOM 575 CG LYS A 38 3.889 -9.776 8.957 1.00 0.00 C ATOM 576 CD LYS A 38 4.564 -9.354 10.251 1.00 0.00 C ATOM 577 CE LYS A 38 3.674 -9.617 11.456 1.00 0.00 C ATOM 578 NZ LYS A 38 3.398 -11.070 11.635 1.00 0.00 N ATOM 0 H LYS A 38 2.599 -8.533 6.537 1.00 0.00 H new ATOM 0 HA LYS A 38 4.704 -7.246 8.121 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.470 -10.033 6.915 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.762 -9.488 7.966 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.897 -9.328 8.901 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.752 -10.857 8.953 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.503 -9.895 10.366 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.811 -8.293 10.205 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.153 -9.225 12.353 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.733 -9.081 11.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.874 -11.217 12.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.830 -11.417 10.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.297 -11.592 11.673 1.00 0.00 H new ATOM 592 N PRO A 39 6.563 -7.112 6.391 1.00 0.00 N ATOM 593 CA PRO A 39 7.531 -6.745 5.353 1.00 0.00 C ATOM 594 C PRO A 39 8.064 -7.960 4.602 1.00 0.00 C ATOM 595 O PRO A 39 7.991 -9.087 5.093 1.00 0.00 O ATOM 596 CB PRO A 39 8.655 -6.067 6.140 1.00 0.00 C ATOM 597 CG PRO A 39 8.558 -6.642 7.511 1.00 0.00 C ATOM 598 CD PRO A 39 7.096 -6.904 7.748 1.00 0.00 C ATOM 0 HA PRO A 39 7.086 -6.110 4.587 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.629 -6.270 5.694 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.530 -4.984 6.155 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.137 -7.562 7.590 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.956 -5.950 8.253 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.942 -7.779 8.379 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.612 -6.063 8.245 1.00 0.00 H new ATOM 606 N VAL A 40 8.601 -7.724 3.409 1.00 0.00 N ATOM 607 CA VAL A 40 9.149 -8.800 2.591 1.00 0.00 C ATOM 608 C VAL A 40 10.650 -8.626 2.388 1.00 0.00 C ATOM 609 O VAL A 40 11.102 -7.608 1.863 1.00 0.00 O ATOM 610 CB VAL A 40 8.460 -8.865 1.215 1.00 0.00 C ATOM 611 CG1 VAL A 40 8.643 -7.555 0.463 1.00 0.00 C ATOM 612 CG2 VAL A 40 8.998 -10.034 0.405 1.00 0.00 C ATOM 0 H VAL A 40 8.668 -6.798 2.988 1.00 0.00 H new ATOM 0 HA VAL A 40 8.963 -9.731 3.126 1.00 0.00 H new ATOM 0 HB VAL A 40 7.392 -9.021 1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.149 -7.620 -0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.205 -6.740 1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.706 -7.365 0.317 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.500 -10.065 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.071 -9.912 0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.809 -10.965 0.940 1.00 0.00 H new ATOM 622 N ASP A 41 11.417 -9.626 2.806 1.00 0.00 N ATOM 623 CA ASP A 41 12.869 -9.586 2.669 1.00 0.00 C ATOM 624 C ASP A 41 13.340 -10.555 1.589 1.00 0.00 C ATOM 625 O ASP A 41 13.887 -11.616 1.890 1.00 0.00 O ATOM 626 CB ASP A 41 13.538 -9.923 4.002 1.00 0.00 C ATOM 627 CG ASP A 41 14.987 -9.480 4.050 1.00 0.00 C ATOM 628 OD1 ASP A 41 15.633 -9.446 2.981 1.00 0.00 O ATOM 629 OD2 ASP A 41 15.477 -9.169 5.156 1.00 0.00 O ATOM 0 H ASP A 41 11.058 -10.475 3.243 1.00 0.00 H new ATOM 0 HA ASP A 41 13.154 -8.576 2.374 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.988 -9.445 4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.484 -10.998 4.171 1.00 0.00 H new ATOM 634 N ALA A 42 13.122 -10.184 0.332 1.00 0.00 N ATOM 635 CA ALA A 42 13.524 -11.020 -0.792 1.00 0.00 C ATOM 636 C ALA A 42 14.868 -11.689 -0.525 1.00 0.00 C ATOM 637 O ALA A 42 14.981 -12.914 -0.565 1.00 0.00 O ATOM 638 CB ALA A 42 13.589 -10.194 -2.068 1.00 0.00 C ATOM 0 H ALA A 42 12.669 -9.310 0.066 1.00 0.00 H new ATOM 0 HA ALA A 42 12.776 -11.803 -0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.891 -10.831 -2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.608 -9.767 -2.275 1.00 0.00 H new ATOM 0 HB3 ALA A 42 14.315 -9.391 -1.945 1.00 0.00 H new ATOM 751 N TYR A 50 11.816 -11.389 -6.942 1.00 0.00 N ATOM 752 CA TYR A 50 10.870 -10.393 -6.454 1.00 0.00 C ATOM 753 C TYR A 50 11.345 -8.981 -6.787 1.00 0.00 C ATOM 754 O TYR A 50 10.546 -8.113 -7.141 1.00 0.00 O ATOM 755 CB TYR A 50 10.683 -10.536 -4.942 1.00 0.00 C ATOM 756 CG TYR A 50 9.566 -9.681 -4.387 1.00 0.00 C ATOM 757 CD1 TYR A 50 8.264 -9.815 -4.853 1.00 0.00 C ATOM 758 CD2 TYR A 50 9.813 -8.737 -3.398 1.00 0.00 C ATOM 759 CE1 TYR A 50 7.241 -9.036 -4.350 1.00 0.00 C ATOM 760 CE2 TYR A 50 8.796 -7.954 -2.887 1.00 0.00 C ATOM 761 CZ TYR A 50 7.511 -8.107 -3.367 1.00 0.00 C ATOM 762 OH TYR A 50 6.495 -7.328 -2.862 1.00 0.00 O ATOM 0 HA TYR A 50 9.914 -10.562 -6.950 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.481 -11.581 -4.706 1.00 0.00 H new ATOM 0 HB3 TYR A 50 11.615 -10.271 -4.442 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.048 -10.541 -5.622 1.00 0.00 H new ATOM 0 HD2 TYR A 50 10.818 -8.613 -3.022 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.235 -9.153 -4.724 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.005 -7.227 -2.117 1.00 0.00 H new ATOM 0 HH TYR A 50 6.854 -6.726 -2.177 1.00 0.00 H new ATOM 772 N HIS A 51 12.650 -8.760 -6.672 1.00 0.00 N ATOM 773 CA HIS A 51 13.233 -7.455 -6.963 1.00 0.00 C ATOM 774 C HIS A 51 13.259 -7.194 -8.465 1.00 0.00 C ATOM 775 O HIS A 51 12.814 -6.145 -8.931 1.00 0.00 O ATOM 776 CB HIS A 51 14.649 -7.367 -6.393 1.00 0.00 C ATOM 777 CG HIS A 51 14.688 -7.048 -4.930 1.00 0.00 C ATOM 778 ND1 HIS A 51 13.821 -6.159 -4.331 1.00 0.00 N ATOM 779 CD2 HIS A 51 15.495 -7.507 -3.945 1.00 0.00 C ATOM 780 CE1 HIS A 51 14.094 -6.083 -3.040 1.00 0.00 C ATOM 781 NE2 HIS A 51 15.106 -6.892 -2.781 1.00 0.00 N ATOM 0 H HIS A 51 13.324 -9.467 -6.379 1.00 0.00 H new ATOM 0 HA HIS A 51 12.612 -6.694 -6.491 1.00 0.00 H new ATOM 0 HB2 HIS A 51 15.160 -8.315 -6.563 1.00 0.00 H new ATOM 0 HB3 HIS A 51 15.204 -6.603 -6.938 1.00 0.00 H new ATOM 0 HD2 HIS A 51 16.296 -8.223 -4.054 1.00 0.00 H new ATOM 0 HE1 HIS A 51 13.578 -5.465 -2.320 1.00 0.00 H new ATOM 0 HE2 HIS A 51 15.530 -7.036 -1.864 1.00 0.00 H new ATOM 789 N ASP A 52 13.784 -8.154 -9.219 1.00 0.00 N ATOM 790 CA ASP A 52 13.868 -8.028 -10.669 1.00 0.00 C ATOM 791 C ASP A 52 12.589 -7.422 -11.237 1.00 0.00 C ATOM 792 O ASP A 52 12.636 -6.537 -12.092 1.00 0.00 O ATOM 793 CB ASP A 52 14.126 -9.394 -11.307 1.00 0.00 C ATOM 794 CG ASP A 52 15.589 -9.790 -11.256 1.00 0.00 C ATOM 795 OD1 ASP A 52 16.083 -10.095 -10.151 1.00 0.00 O ATOM 796 OD2 ASP A 52 16.240 -9.793 -12.322 1.00 0.00 O ATOM 0 H ASP A 52 14.158 -9.028 -8.850 1.00 0.00 H new ATOM 0 HA ASP A 52 14.699 -7.363 -10.903 1.00 0.00 H new ATOM 0 HB2 ASP A 52 13.530 -10.149 -10.795 1.00 0.00 H new ATOM 0 HB3 ASP A 52 13.794 -9.376 -12.345 1.00 0.00 H new ATOM 801 N ILE A 53 11.448 -7.904 -10.757 1.00 0.00 N ATOM 802 CA ILE A 53 10.156 -7.409 -11.217 1.00 0.00 C ATOM 803 C ILE A 53 9.762 -6.134 -10.479 1.00 0.00 C ATOM 804 O ILE A 53 9.489 -5.105 -11.099 1.00 0.00 O ATOM 805 CB ILE A 53 9.049 -8.462 -11.026 1.00 0.00 C ATOM 806 CG1 ILE A 53 9.313 -9.678 -11.916 1.00 0.00 C ATOM 807 CG2 ILE A 53 7.686 -7.860 -11.333 1.00 0.00 C ATOM 808 CD1 ILE A 53 10.187 -10.726 -11.263 1.00 0.00 C ATOM 0 H ILE A 53 11.392 -8.637 -10.050 1.00 0.00 H new ATOM 0 HA ILE A 53 10.261 -7.193 -12.280 1.00 0.00 H new ATOM 0 HB ILE A 53 9.054 -8.788 -9.986 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.360 -10.131 -12.191 1.00 0.00 H new ATOM 0 HG13 ILE A 53 9.786 -9.346 -12.840 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.914 -8.617 -11.193 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.499 -7.022 -10.661 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.667 -7.509 -12.365 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.332 -11.559 -11.951 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.154 -10.289 -11.013 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.706 -11.086 -10.354 1.00 0.00 H new ATOM 820 N ILE A 54 9.736 -6.208 -9.153 1.00 0.00 N ATOM 821 CA ILE A 54 9.378 -5.059 -8.331 1.00 0.00 C ATOM 822 C ILE A 54 10.610 -4.236 -7.970 1.00 0.00 C ATOM 823 O ILE A 54 11.538 -4.733 -7.333 1.00 0.00 O ATOM 824 CB ILE A 54 8.667 -5.493 -7.035 1.00 0.00 C ATOM 825 CG1 ILE A 54 7.460 -6.375 -7.361 1.00 0.00 C ATOM 826 CG2 ILE A 54 8.238 -4.273 -6.233 1.00 0.00 C ATOM 827 CD1 ILE A 54 6.487 -5.735 -8.326 1.00 0.00 C ATOM 0 H ILE A 54 9.959 -7.052 -8.625 1.00 0.00 H new ATOM 0 HA ILE A 54 8.696 -4.448 -8.923 1.00 0.00 H new ATOM 0 HB ILE A 54 9.365 -6.073 -6.431 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.812 -7.316 -7.783 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.936 -6.616 -6.436 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.737 -4.595 -5.320 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.116 -3.680 -5.975 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.554 -3.668 -6.828 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.657 -6.417 -8.511 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.107 -4.808 -7.898 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.995 -5.519 -9.266 1.00 0.00 H new ATOM 839 N LYS A 55 10.612 -2.972 -8.381 1.00 0.00 N ATOM 840 CA LYS A 55 11.728 -2.077 -8.100 1.00 0.00 C ATOM 841 C LYS A 55 11.514 -1.338 -6.782 1.00 0.00 C ATOM 842 O LYS A 55 12.390 -1.325 -5.917 1.00 0.00 O ATOM 843 CB LYS A 55 11.901 -1.070 -9.239 1.00 0.00 C ATOM 844 CG LYS A 55 12.395 -1.694 -10.532 1.00 0.00 C ATOM 845 CD LYS A 55 13.221 -0.711 -11.345 1.00 0.00 C ATOM 846 CE LYS A 55 13.555 -1.268 -12.721 1.00 0.00 C ATOM 847 NZ LYS A 55 12.409 -1.141 -13.663 1.00 0.00 N ATOM 0 H LYS A 55 9.852 -2.544 -8.910 1.00 0.00 H new ATOM 0 HA LYS A 55 12.632 -2.680 -8.016 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.947 -0.577 -9.425 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.604 -0.298 -8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.995 -2.575 -10.306 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.543 -2.031 -11.123 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.672 0.225 -11.453 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.143 -0.480 -10.811 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.419 -0.741 -13.126 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.836 -2.317 -12.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.676 -1.532 -14.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.592 -1.665 -13.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.157 -0.138 -13.770 1.00 0.00 H new ATOM 861 N HIS A 56 10.343 -0.726 -6.636 1.00 0.00 N ATOM 862 CA HIS A 56 10.014 0.013 -5.422 1.00 0.00 C ATOM 863 C HIS A 56 8.823 -0.620 -4.707 1.00 0.00 C ATOM 864 O HIS A 56 7.675 -0.210 -4.879 1.00 0.00 O ATOM 865 CB HIS A 56 9.706 1.473 -5.756 1.00 0.00 C ATOM 866 CG HIS A 56 8.976 1.649 -7.052 1.00 0.00 C ATOM 867 ND1 HIS A 56 8.122 0.828 -7.706 1.00 0.00 N flip ATOM 868 CD2 HIS A 56 9.088 2.782 -7.830 1.00 0.00 C flip ATOM 869 CE1 HIS A 56 7.736 1.473 -8.856 1.00 0.00 C flip ATOM 870 NE2 HIS A 56 8.333 2.651 -8.906 1.00 0.00 N flip ATOM 0 H HIS A 56 9.607 -0.727 -7.342 1.00 0.00 H new ATOM 0 HA HIS A 56 10.877 -0.025 -4.757 1.00 0.00 H new ATOM 0 HB2 HIS A 56 9.110 1.903 -4.951 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.640 2.033 -5.796 1.00 0.00 H new ATOM 0 HD2 HIS A 56 9.698 3.642 -7.596 1.00 0.00 H new ATOM 0 HE1 HIS A 56 7.056 1.081 -9.598 1.00 0.00 H new ATOM 0 HE2 HIS A 56 8.229 3.342 -9.649 1.00 0.00 H new ATOM 878 N PRO A 57 9.101 -1.643 -3.886 1.00 0.00 N ATOM 879 CA PRO A 57 8.066 -2.354 -3.129 1.00 0.00 C ATOM 880 C PRO A 57 7.469 -1.497 -2.018 1.00 0.00 C ATOM 881 O PRO A 57 8.172 -0.715 -1.378 1.00 0.00 O ATOM 882 CB PRO A 57 8.818 -3.548 -2.536 1.00 0.00 C ATOM 883 CG PRO A 57 10.238 -3.103 -2.460 1.00 0.00 C ATOM 884 CD PRO A 57 10.447 -2.184 -3.632 1.00 0.00 C ATOM 0 HA PRO A 57 7.221 -2.634 -3.758 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.432 -3.809 -1.551 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.714 -4.433 -3.164 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.436 -2.588 -1.520 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.917 -3.955 -2.506 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.161 -1.393 -3.400 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.835 -2.720 -4.498 1.00 0.00 H new ATOM 892 N MET A 58 6.168 -1.649 -1.794 1.00 0.00 N ATOM 893 CA MET A 58 5.477 -0.889 -0.759 1.00 0.00 C ATOM 894 C MET A 58 4.519 -1.783 0.023 1.00 0.00 C ATOM 895 O MET A 58 4.093 -2.830 -0.466 1.00 0.00 O ATOM 896 CB MET A 58 4.710 0.280 -1.380 1.00 0.00 C ATOM 897 CG MET A 58 4.044 1.183 -0.355 1.00 0.00 C ATOM 898 SD MET A 58 5.220 1.898 0.809 1.00 0.00 S ATOM 899 CE MET A 58 6.093 3.046 -0.254 1.00 0.00 C ATOM 0 H MET A 58 5.571 -2.291 -2.315 1.00 0.00 H new ATOM 0 HA MET A 58 6.225 -0.497 -0.070 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.396 0.874 -1.984 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.949 -0.113 -2.055 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.517 1.985 -0.871 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.296 0.612 0.195 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.530 3.841 0.350 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.884 2.519 -0.787 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.397 3.477 -0.973 1.00 0.00 H new ATOM 909 N ASP A 59 4.184 -1.363 1.238 1.00 0.00 N ATOM 910 CA ASP A 59 3.275 -2.125 2.087 1.00 0.00 C ATOM 911 C ASP A 59 2.567 -1.211 3.083 1.00 0.00 C ATOM 912 O ASP A 59 3.013 -0.092 3.340 1.00 0.00 O ATOM 913 CB ASP A 59 4.039 -3.220 2.833 1.00 0.00 C ATOM 914 CG ASP A 59 5.320 -2.707 3.462 1.00 0.00 C ATOM 915 OD1 ASP A 59 5.352 -1.524 3.861 1.00 0.00 O ATOM 916 OD2 ASP A 59 6.290 -3.488 3.553 1.00 0.00 O ATOM 0 H ASP A 59 4.528 -0.499 1.657 1.00 0.00 H new ATOM 0 HA ASP A 59 2.522 -2.588 1.449 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.400 -3.641 3.609 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.276 -4.029 2.142 1.00 0.00 H new ATOM 921 N LEU A 60 1.463 -1.695 3.639 1.00 0.00 N ATOM 922 CA LEU A 60 0.692 -0.922 4.607 1.00 0.00 C ATOM 923 C LEU A 60 1.577 -0.448 5.755 1.00 0.00 C ATOM 924 O LEU A 60 1.535 0.719 6.144 1.00 0.00 O ATOM 925 CB LEU A 60 -0.465 -1.760 5.153 1.00 0.00 C ATOM 926 CG LEU A 60 -1.720 -1.821 4.282 1.00 0.00 C ATOM 927 CD1 LEU A 60 -2.667 -2.900 4.783 1.00 0.00 C ATOM 928 CD2 LEU A 60 -2.417 -0.468 4.255 1.00 0.00 C ATOM 0 H LEU A 60 1.081 -2.619 3.437 1.00 0.00 H new ATOM 0 HA LEU A 60 0.290 -0.046 4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.107 -2.777 5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.744 -1.365 6.130 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.420 -2.074 3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.554 -2.928 4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.167 -3.868 4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.960 -2.679 5.809 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.308 -0.530 3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.703 -0.186 5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.740 0.282 3.847 1.00 0.00 H new ATOM 940 N SER A 61 2.381 -1.361 6.291 1.00 0.00 N ATOM 941 CA SER A 61 3.276 -1.036 7.396 1.00 0.00 C ATOM 942 C SER A 61 3.932 0.325 7.182 1.00 0.00 C ATOM 943 O SER A 61 3.968 1.159 8.087 1.00 0.00 O ATOM 944 CB SER A 61 4.351 -2.115 7.543 1.00 0.00 C ATOM 945 OG SER A 61 5.077 -2.280 6.337 1.00 0.00 O ATOM 0 H SER A 61 2.431 -2.331 5.978 1.00 0.00 H new ATOM 0 HA SER A 61 2.684 -0.995 8.310 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.034 -1.845 8.348 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.886 -3.060 7.823 1.00 0.00 H new ATOM 0 HG SER A 61 4.566 -1.899 5.593 1.00 0.00 H new ATOM 951 N THR A 62 4.449 0.543 5.977 1.00 0.00 N ATOM 952 CA THR A 62 5.105 1.801 5.643 1.00 0.00 C ATOM 953 C THR A 62 4.104 2.950 5.611 1.00 0.00 C ATOM 954 O THR A 62 4.367 4.030 6.140 1.00 0.00 O ATOM 955 CB THR A 62 5.818 1.718 4.280 1.00 0.00 C ATOM 956 OG1 THR A 62 6.816 0.691 4.311 1.00 0.00 O ATOM 957 CG2 THR A 62 6.464 3.048 3.926 1.00 0.00 C ATOM 0 H THR A 62 4.426 -0.136 5.216 1.00 0.00 H new ATOM 0 HA THR A 62 5.845 1.989 6.421 1.00 0.00 H new ATOM 0 HB THR A 62 5.074 1.479 3.520 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.418 -0.160 4.033 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.961 2.965 2.960 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.698 3.822 3.875 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.196 3.312 4.689 1.00 0.00 H new ATOM 965 N VAL A 63 2.955 2.712 4.987 1.00 0.00 N ATOM 966 CA VAL A 63 1.914 3.727 4.887 1.00 0.00 C ATOM 967 C VAL A 63 1.575 4.303 6.258 1.00 0.00 C ATOM 968 O VAL A 63 1.457 5.517 6.422 1.00 0.00 O ATOM 969 CB VAL A 63 0.633 3.157 4.251 1.00 0.00 C ATOM 970 CG1 VAL A 63 -0.433 4.236 4.136 1.00 0.00 C ATOM 971 CG2 VAL A 63 0.938 2.552 2.889 1.00 0.00 C ATOM 0 H VAL A 63 2.722 1.824 4.543 1.00 0.00 H new ATOM 0 HA VAL A 63 2.305 4.520 4.249 1.00 0.00 H new ATOM 0 HB VAL A 63 0.249 2.367 4.897 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.331 3.814 3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.672 4.619 5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.061 5.050 3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.021 2.154 2.454 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.347 3.320 2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.665 1.748 3.003 1.00 0.00 H new ATOM 981 N LYS A 64 1.418 3.422 7.241 1.00 0.00 N ATOM 982 CA LYS A 64 1.094 3.841 8.599 1.00 0.00 C ATOM 983 C LYS A 64 2.229 4.664 9.200 1.00 0.00 C ATOM 984 O LYS A 64 2.055 5.841 9.516 1.00 0.00 O ATOM 985 CB LYS A 64 0.815 2.620 9.478 1.00 0.00 C ATOM 986 CG LYS A 64 0.551 2.966 10.934 1.00 0.00 C ATOM 987 CD LYS A 64 -0.250 1.878 11.629 1.00 0.00 C ATOM 988 CE LYS A 64 0.658 0.815 12.229 1.00 0.00 C ATOM 989 NZ LYS A 64 -0.013 0.072 13.332 1.00 0.00 N ATOM 0 H LYS A 64 1.510 2.413 7.122 1.00 0.00 H new ATOM 0 HA LYS A 64 0.200 4.463 8.557 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.046 2.084 9.079 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.666 1.941 9.423 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.499 3.109 11.453 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.010 3.911 10.992 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.862 2.321 12.415 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.932 1.415 10.916 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.961 0.115 11.451 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.566 1.284 12.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.638 -0.643 13.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.280 0.737 14.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.866 -0.397 12.966 1.00 0.00 H new ATOM 1003 N ARG A 65 3.392 4.039 9.353 1.00 0.00 N ATOM 1004 CA ARG A 65 4.555 4.714 9.915 1.00 0.00 C ATOM 1005 C ARG A 65 4.744 6.089 9.282 1.00 0.00 C ATOM 1006 O ARG A 65 5.017 7.071 9.973 1.00 0.00 O ATOM 1007 CB ARG A 65 5.812 3.868 9.708 1.00 0.00 C ATOM 1008 CG ARG A 65 5.891 2.660 10.627 1.00 0.00 C ATOM 1009 CD ARG A 65 7.258 1.997 10.559 1.00 0.00 C ATOM 1010 NE ARG A 65 7.695 1.782 9.182 1.00 0.00 N ATOM 1011 CZ ARG A 65 8.410 2.664 8.492 1.00 0.00 C ATOM 1012 NH1 ARG A 65 8.767 3.813 9.048 1.00 0.00 N ATOM 1013 NH2 ARG A 65 8.769 2.396 7.243 1.00 0.00 N ATOM 0 H ARG A 65 3.554 3.065 9.095 1.00 0.00 H new ATOM 0 HA ARG A 65 4.386 4.845 10.984 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.845 3.529 8.673 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.691 4.493 9.867 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.685 2.967 11.652 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.122 1.939 10.350 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.988 2.618 11.078 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.224 1.041 11.082 1.00 0.00 H new ATOM 0 HE ARG A 65 7.437 0.907 8.725 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.493 4.022 10.008 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.316 4.488 8.516 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.496 1.513 6.812 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.318 3.073 6.714 1.00 0.00 H new ATOM 1027 N LYS A 66 4.598 6.152 7.962 1.00 0.00 N ATOM 1028 CA LYS A 66 4.752 7.406 7.234 1.00 0.00 C ATOM 1029 C LYS A 66 3.666 8.402 7.630 1.00 0.00 C ATOM 1030 O LYS A 66 3.958 9.541 7.993 1.00 0.00 O ATOM 1031 CB LYS A 66 4.702 7.153 5.726 1.00 0.00 C ATOM 1032 CG LYS A 66 6.014 6.650 5.149 1.00 0.00 C ATOM 1033 CD LYS A 66 6.024 6.729 3.632 1.00 0.00 C ATOM 1034 CE LYS A 66 6.433 8.112 3.149 1.00 0.00 C ATOM 1035 NZ LYS A 66 7.871 8.390 3.415 1.00 0.00 N ATOM 0 H LYS A 66 4.373 5.349 7.375 1.00 0.00 H new ATOM 0 HA LYS A 66 5.722 7.831 7.493 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.919 6.425 5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.423 8.077 5.220 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.838 7.240 5.550 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.178 5.619 5.461 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.712 5.984 3.232 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.033 6.486 3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.239 8.195 2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.820 8.865 3.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.279 8.908 2.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.960 8.964 4.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.380 7.492 3.542 1.00 0.00 H new ATOM 1049 N MET A 67 2.414 7.964 7.558 1.00 0.00 N ATOM 1050 CA MET A 67 1.285 8.817 7.911 1.00 0.00 C ATOM 1051 C MET A 67 1.444 9.371 9.323 1.00 0.00 C ATOM 1052 O MET A 67 1.208 10.555 9.566 1.00 0.00 O ATOM 1053 CB MET A 67 -0.026 8.035 7.802 1.00 0.00 C ATOM 1054 CG MET A 67 -1.262 8.883 8.059 1.00 0.00 C ATOM 1055 SD MET A 67 -1.220 10.456 7.179 1.00 0.00 S ATOM 1056 CE MET A 67 -2.294 10.096 5.791 1.00 0.00 C ATOM 0 H MET A 67 2.155 7.024 7.259 1.00 0.00 H new ATOM 0 HA MET A 67 1.260 9.653 7.212 1.00 0.00 H new ATOM 0 HB2 MET A 67 -0.097 7.597 6.807 1.00 0.00 H new ATOM 0 HB3 MET A 67 -0.007 7.209 8.513 1.00 0.00 H new ATOM 0 HG2 MET A 67 -2.149 8.326 7.758 1.00 0.00 H new ATOM 0 HG3 MET A 67 -1.352 9.072 9.129 1.00 0.00 H new ATOM 0 HE1 MET A 67 -1.718 10.131 4.866 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.725 9.102 5.913 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.094 10.836 5.748 1.00 0.00 H new ATOM 1066 N ASP A 68 1.844 8.509 10.251 1.00 0.00 N ATOM 1067 CA ASP A 68 2.035 8.913 11.639 1.00 0.00 C ATOM 1068 C ASP A 68 2.894 10.170 11.726 1.00 0.00 C ATOM 1069 O ASP A 68 2.545 11.127 12.416 1.00 0.00 O ATOM 1070 CB ASP A 68 2.683 7.781 12.438 1.00 0.00 C ATOM 1071 CG ASP A 68 2.837 8.124 13.907 1.00 0.00 C ATOM 1072 OD1 ASP A 68 1.836 8.028 14.647 1.00 0.00 O ATOM 1073 OD2 ASP A 68 3.960 8.486 14.316 1.00 0.00 O ATOM 0 H ASP A 68 2.042 7.526 10.067 1.00 0.00 H new ATOM 0 HA ASP A 68 1.056 9.134 12.065 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.079 6.879 12.340 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.662 7.556 12.016 1.00 0.00 H new ATOM 1078 N GLY A 69 4.022 10.160 11.021 1.00 0.00 N ATOM 1079 CA GLY A 69 4.914 11.304 11.032 1.00 0.00 C ATOM 1080 C GLY A 69 4.480 12.389 10.066 1.00 0.00 C ATOM 1081 O GLY A 69 5.285 13.227 9.661 1.00 0.00 O ATOM 0 H GLY A 69 4.333 9.380 10.443 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.958 11.716 12.040 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.922 10.977 10.777 1.00 0.00 H new ATOM 1085 N ARG A 70 3.204 12.372 9.696 1.00 0.00 N ATOM 1086 CA ARG A 70 2.664 13.360 8.769 1.00 0.00 C ATOM 1087 C ARG A 70 3.542 13.475 7.526 1.00 0.00 C ATOM 1088 O ARG A 70 3.584 14.521 6.879 1.00 0.00 O ATOM 1089 CB ARG A 70 2.550 14.723 9.453 1.00 0.00 C ATOM 1090 CG ARG A 70 1.773 14.687 10.759 1.00 0.00 C ATOM 1091 CD ARG A 70 0.295 14.419 10.520 1.00 0.00 C ATOM 1092 NE ARG A 70 -0.518 14.759 11.685 1.00 0.00 N ATOM 1093 CZ ARG A 70 -0.659 13.963 12.739 1.00 0.00 C ATOM 1094 NH1 ARG A 70 -0.045 12.789 12.775 1.00 0.00 N ATOM 1095 NH2 ARG A 70 -1.416 14.343 13.761 1.00 0.00 N ATOM 0 H ARG A 70 2.525 11.685 10.024 1.00 0.00 H new ATOM 0 HA ARG A 70 1.671 13.030 8.463 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.551 15.108 9.647 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.066 15.423 8.771 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.184 13.913 11.407 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.892 15.636 11.281 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.044 14.997 9.660 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.153 13.367 10.273 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.004 15.656 11.689 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.538 12.494 11.992 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.156 12.180 13.586 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.889 15.246 13.737 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.524 13.732 14.570 1.00 0.00 H new ATOM 1109 N GLU A 71 4.240 12.392 7.198 1.00 0.00 N ATOM 1110 CA GLU A 71 5.117 12.372 6.034 1.00 0.00 C ATOM 1111 C GLU A 71 4.366 12.814 4.780 1.00 0.00 C ATOM 1112 O GLU A 71 4.933 13.461 3.900 1.00 0.00 O ATOM 1113 CB GLU A 71 5.697 10.972 5.827 1.00 0.00 C ATOM 1114 CG GLU A 71 6.953 10.707 6.641 1.00 0.00 C ATOM 1115 CD GLU A 71 8.221 11.055 5.886 1.00 0.00 C ATOM 1116 OE1 GLU A 71 8.368 12.227 5.481 1.00 0.00 O ATOM 1117 OE2 GLU A 71 9.066 10.155 5.701 1.00 0.00 O ATOM 0 H GLU A 71 4.215 11.517 7.722 1.00 0.00 H new ATOM 0 HA GLU A 71 5.933 13.072 6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.941 10.232 6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.924 10.834 4.770 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.913 11.287 7.563 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.981 9.655 6.926 1.00 0.00 H new ATOM 1124 N TYR A 72 3.089 12.458 4.707 1.00 0.00 N ATOM 1125 CA TYR A 72 2.261 12.814 3.561 1.00 0.00 C ATOM 1126 C TYR A 72 1.806 14.268 3.648 1.00 0.00 C ATOM 1127 O TYR A 72 1.160 14.687 4.608 1.00 0.00 O ATOM 1128 CB TYR A 72 1.043 11.891 3.479 1.00 0.00 C ATOM 1129 CG TYR A 72 1.400 10.431 3.317 1.00 0.00 C ATOM 1130 CD1 TYR A 72 2.108 9.988 2.207 1.00 0.00 C ATOM 1131 CD2 TYR A 72 1.027 9.494 4.273 1.00 0.00 C ATOM 1132 CE1 TYR A 72 2.436 8.654 2.054 1.00 0.00 C ATOM 1133 CE2 TYR A 72 1.351 8.159 4.129 1.00 0.00 C ATOM 1134 CZ TYR A 72 2.055 7.744 3.018 1.00 0.00 C ATOM 1135 OH TYR A 72 2.379 6.415 2.870 1.00 0.00 O ATOM 0 H TYR A 72 2.604 11.923 5.428 1.00 0.00 H new ATOM 0 HA TYR A 72 2.862 12.693 2.660 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.444 12.012 4.382 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.420 12.199 2.640 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.407 10.698 1.450 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.474 9.815 5.144 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.987 8.326 1.185 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.055 7.444 4.882 1.00 0.00 H new ATOM 0 HH TYR A 72 2.986 6.309 2.108 1.00 0.00 H new ATOM 1145 N PRO A 73 2.152 15.056 2.619 1.00 0.00 N ATOM 1146 CA PRO A 73 1.790 16.475 2.553 1.00 0.00 C ATOM 1147 C PRO A 73 0.295 16.683 2.337 1.00 0.00 C ATOM 1148 O PRO A 73 -0.295 17.620 2.874 1.00 0.00 O ATOM 1149 CB PRO A 73 2.581 16.988 1.347 1.00 0.00 C ATOM 1150 CG PRO A 73 2.792 15.785 0.494 1.00 0.00 C ATOM 1151 CD PRO A 73 2.922 14.624 1.441 1.00 0.00 C ATOM 0 HA PRO A 73 2.018 16.997 3.483 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.030 17.761 0.812 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.530 17.427 1.654 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.955 15.639 -0.189 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.688 15.892 -0.117 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.518 13.708 1.011 1.00 0.00 H new ATOM 0 HD3 PRO A 73 3.964 14.426 1.693 1.00 0.00 H new ATOM 1159 N ASP A 74 -0.312 15.802 1.549 1.00 0.00 N ATOM 1160 CA ASP A 74 -1.739 15.888 1.264 1.00 0.00 C ATOM 1161 C ASP A 74 -2.296 14.526 0.862 1.00 0.00 C ATOM 1162 O ASP A 74 -1.543 13.599 0.566 1.00 0.00 O ATOM 1163 CB ASP A 74 -1.999 16.906 0.152 1.00 0.00 C ATOM 1164 CG ASP A 74 -0.869 16.961 -0.858 1.00 0.00 C ATOM 1165 OD1 ASP A 74 -0.798 16.059 -1.718 1.00 0.00 O ATOM 1166 OD2 ASP A 74 -0.057 17.907 -0.788 1.00 0.00 O ATOM 0 H ASP A 74 0.162 15.020 1.097 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.246 16.215 2.172 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.928 16.652 -0.359 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.137 17.893 0.592 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.620 14.411 0.857 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.278 13.163 0.492 1.00 0.00 C ATOM 1173 C ALA A 75 -3.572 12.494 -0.683 1.00 0.00 C ATOM 1174 O ALA A 75 -3.352 11.283 -0.678 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.741 13.415 0.157 1.00 0.00 C ATOM 0 H ALA A 75 -4.258 15.168 1.102 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.224 12.489 1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.220 12.474 -0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.245 13.842 1.024 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.808 14.110 -0.680 1.00 0.00 H new ATOM 1181 N GLN A 76 -3.221 13.290 -1.687 1.00 0.00 N ATOM 1182 CA GLN A 76 -2.541 12.774 -2.870 1.00 0.00 C ATOM 1183 C GLN A 76 -1.262 12.038 -2.484 1.00 0.00 C ATOM 1184 O GLN A 76 -0.944 10.990 -3.045 1.00 0.00 O ATOM 1185 CB GLN A 76 -2.216 13.914 -3.836 1.00 0.00 C ATOM 1186 CG GLN A 76 -3.431 14.734 -4.240 1.00 0.00 C ATOM 1187 CD GLN A 76 -4.430 13.936 -5.054 1.00 0.00 C ATOM 1188 OE1 GLN A 76 -4.198 13.640 -6.226 1.00 0.00 O ATOM 1189 NE2 GLN A 76 -5.550 13.582 -4.435 1.00 0.00 N ATOM 0 H GLN A 76 -3.396 14.295 -1.706 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.210 12.069 -3.364 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.481 14.573 -3.373 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.754 13.499 -4.732 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.921 15.116 -3.344 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.105 15.598 -4.818 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.701 13.849 -3.462 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.259 13.043 -4.932 1.00 0.00 H new ATOM 1198 N GLY A 77 -0.532 12.594 -1.522 1.00 0.00 N ATOM 1199 CA GLY A 77 0.704 11.977 -1.078 1.00 0.00 C ATOM 1200 C GLY A 77 0.474 10.643 -0.394 1.00 0.00 C ATOM 1201 O GLY A 77 1.237 9.698 -0.590 1.00 0.00 O ATOM 0 H GLY A 77 -0.775 13.461 -1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.363 11.834 -1.934 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.216 12.650 -0.391 1.00 0.00 H new ATOM 1205 N PHE A 78 -0.581 10.567 0.411 1.00 0.00 N ATOM 1206 CA PHE A 78 -0.908 9.341 1.128 1.00 0.00 C ATOM 1207 C PHE A 78 -1.324 8.238 0.159 1.00 0.00 C ATOM 1208 O PHE A 78 -0.768 7.141 0.174 1.00 0.00 O ATOM 1209 CB PHE A 78 -2.029 9.598 2.137 1.00 0.00 C ATOM 1210 CG PHE A 78 -2.741 8.350 2.574 1.00 0.00 C ATOM 1211 CD1 PHE A 78 -2.162 7.493 3.496 1.00 0.00 C ATOM 1212 CD2 PHE A 78 -3.989 8.034 2.062 1.00 0.00 C ATOM 1213 CE1 PHE A 78 -2.815 6.344 3.899 1.00 0.00 C ATOM 1214 CE2 PHE A 78 -4.647 6.886 2.462 1.00 0.00 C ATOM 1215 CZ PHE A 78 -4.059 6.040 3.382 1.00 0.00 C ATOM 0 H PHE A 78 -1.224 11.340 0.583 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.016 9.014 1.662 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.611 10.094 3.013 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.753 10.284 1.697 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.190 7.726 3.904 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.453 8.692 1.342 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.353 5.684 4.618 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.620 6.651 2.056 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.571 5.143 3.696 1.00 0.00 H new ATOM 1225 N ALA A 79 -2.308 8.539 -0.683 1.00 0.00 N ATOM 1226 CA ALA A 79 -2.798 7.576 -1.660 1.00 0.00 C ATOM 1227 C ALA A 79 -1.700 7.182 -2.643 1.00 0.00 C ATOM 1228 O ALA A 79 -1.539 6.007 -2.970 1.00 0.00 O ATOM 1229 CB ALA A 79 -3.997 8.143 -2.406 1.00 0.00 C ATOM 0 H ALA A 79 -2.781 9.442 -0.707 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.108 6.679 -1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.352 7.412 -3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.794 8.367 -1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.705 9.057 -2.923 1.00 0.00 H new ATOM 1235 N ALA A 80 -0.948 8.173 -3.110 1.00 0.00 N ATOM 1236 CA ALA A 80 0.136 7.930 -4.054 1.00 0.00 C ATOM 1237 C ALA A 80 0.815 6.593 -3.778 1.00 0.00 C ATOM 1238 O ALA A 80 1.009 5.785 -4.686 1.00 0.00 O ATOM 1239 CB ALA A 80 1.150 9.062 -3.996 1.00 0.00 C ATOM 0 H ALA A 80 -1.069 9.152 -2.850 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.290 7.891 -5.056 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.954 8.867 -4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.661 10.002 -4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.563 9.129 -2.990 1.00 0.00 H new ATOM 1245 N ASP A 81 1.174 6.367 -2.519 1.00 0.00 N ATOM 1246 CA ASP A 81 1.832 5.127 -2.123 1.00 0.00 C ATOM 1247 C ASP A 81 0.881 3.942 -2.253 1.00 0.00 C ATOM 1248 O ASP A 81 1.104 3.038 -3.059 1.00 0.00 O ATOM 1249 CB ASP A 81 2.342 5.232 -0.684 1.00 0.00 C ATOM 1250 CG ASP A 81 3.749 5.790 -0.609 1.00 0.00 C ATOM 1251 OD1 ASP A 81 4.309 6.133 -1.671 1.00 0.00 O ATOM 1252 OD2 ASP A 81 4.292 5.883 0.513 1.00 0.00 O ATOM 0 H ASP A 81 1.021 7.026 -1.756 1.00 0.00 H new ATOM 0 HA ASP A 81 2.679 4.965 -2.790 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.670 5.869 -0.109 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.320 4.246 -0.221 1.00 0.00 H new ATOM 1257 N VAL A 82 -0.181 3.951 -1.453 1.00 0.00 N ATOM 1258 CA VAL A 82 -1.167 2.877 -1.478 1.00 0.00 C ATOM 1259 C VAL A 82 -1.348 2.330 -2.890 1.00 0.00 C ATOM 1260 O VAL A 82 -1.200 1.131 -3.126 1.00 0.00 O ATOM 1261 CB VAL A 82 -2.531 3.354 -0.946 1.00 0.00 C ATOM 1262 CG1 VAL A 82 -3.568 2.248 -1.066 1.00 0.00 C ATOM 1263 CG2 VAL A 82 -2.405 3.823 0.496 1.00 0.00 C ATOM 0 H VAL A 82 -0.380 4.691 -0.779 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.789 2.086 -0.830 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.863 4.197 -1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.525 2.604 -0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.677 1.963 -2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.246 1.383 -0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.378 4.157 0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.051 3.000 1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.696 4.649 0.549 1.00 0.00 H new ATOM 1273 N ARG A 83 -1.668 3.218 -3.826 1.00 0.00 N ATOM 1274 CA ARG A 83 -1.870 2.825 -5.215 1.00 0.00 C ATOM 1275 C ARG A 83 -0.680 2.020 -5.731 1.00 0.00 C ATOM 1276 O ARG A 83 -0.848 0.957 -6.329 1.00 0.00 O ATOM 1277 CB ARG A 83 -2.082 4.060 -6.091 1.00 0.00 C ATOM 1278 CG ARG A 83 -3.414 4.752 -5.857 1.00 0.00 C ATOM 1279 CD ARG A 83 -3.419 6.162 -6.427 1.00 0.00 C ATOM 1280 NE ARG A 83 -3.583 6.164 -7.879 1.00 0.00 N ATOM 1281 CZ ARG A 83 -3.530 7.264 -8.622 1.00 0.00 C ATOM 1282 NH1 ARG A 83 -3.319 8.443 -8.054 1.00 0.00 N ATOM 1283 NH2 ARG A 83 -3.689 7.185 -9.937 1.00 0.00 N ATOM 0 H ARG A 83 -1.793 4.214 -3.647 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.760 2.197 -5.263 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.276 4.770 -5.905 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.013 3.768 -7.139 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.213 4.170 -6.317 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.622 4.790 -4.788 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.226 6.735 -5.970 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.486 6.662 -6.167 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.747 5.273 -8.347 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.197 8.508 -7.043 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.279 9.286 -8.628 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.852 6.280 -10.378 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.648 8.030 -10.507 1.00 0.00 H new ATOM 1297 N LEU A 84 0.522 2.535 -5.496 1.00 0.00 N ATOM 1298 CA LEU A 84 1.741 1.865 -5.937 1.00 0.00 C ATOM 1299 C LEU A 84 1.836 0.463 -5.345 1.00 0.00 C ATOM 1300 O LEU A 84 2.283 -0.472 -6.008 1.00 0.00 O ATOM 1301 CB LEU A 84 2.969 2.684 -5.538 1.00 0.00 C ATOM 1302 CG LEU A 84 4.308 1.947 -5.575 1.00 0.00 C ATOM 1303 CD1 LEU A 84 4.820 1.841 -7.003 1.00 0.00 C ATOM 1304 CD2 LEU A 84 5.329 2.651 -4.692 1.00 0.00 C ATOM 0 H LEU A 84 0.679 3.414 -5.003 1.00 0.00 H new ATOM 0 HA LEU A 84 1.707 1.779 -7.023 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.035 3.549 -6.198 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.814 3.065 -4.529 1.00 0.00 H new ATOM 0 HG LEU A 84 4.156 0.939 -5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.774 1.314 -7.009 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.098 1.293 -7.609 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.955 2.841 -7.416 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.276 2.113 -4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.476 3.671 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.967 2.675 -3.664 1.00 0.00 H new ATOM 1316 N MET A 85 1.411 0.325 -4.093 1.00 0.00 N ATOM 1317 CA MET A 85 1.446 -0.965 -3.413 1.00 0.00 C ATOM 1318 C MET A 85 0.581 -1.988 -4.142 1.00 0.00 C ATOM 1319 O MET A 85 1.052 -3.064 -4.511 1.00 0.00 O ATOM 1320 CB MET A 85 0.970 -0.816 -1.967 1.00 0.00 C ATOM 1321 CG MET A 85 0.798 -2.141 -1.244 1.00 0.00 C ATOM 1322 SD MET A 85 -0.796 -2.914 -1.579 1.00 0.00 S ATOM 1323 CE MET A 85 -1.815 -2.148 -0.320 1.00 0.00 C ATOM 0 H MET A 85 1.039 1.089 -3.529 1.00 0.00 H new ATOM 0 HA MET A 85 2.476 -1.320 -3.414 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.685 -0.203 -1.419 1.00 0.00 H new ATOM 0 HB3 MET A 85 0.020 -0.281 -1.959 1.00 0.00 H new ATOM 0 HG2 MET A 85 1.597 -2.820 -1.543 1.00 0.00 H new ATOM 0 HG3 MET A 85 0.901 -1.981 -0.171 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.670 -2.789 -0.104 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.228 -2.008 0.588 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.168 -1.180 -0.677 1.00 0.00 H new ATOM 1333 N PHE A 86 -0.687 -1.645 -4.348 1.00 0.00 N ATOM 1334 CA PHE A 86 -1.618 -2.534 -5.032 1.00 0.00 C ATOM 1335 C PHE A 86 -1.125 -2.859 -6.440 1.00 0.00 C ATOM 1336 O PHE A 86 -1.324 -3.966 -6.939 1.00 0.00 O ATOM 1337 CB PHE A 86 -3.008 -1.898 -5.100 1.00 0.00 C ATOM 1338 CG PHE A 86 -3.749 -1.936 -3.795 1.00 0.00 C ATOM 1339 CD1 PHE A 86 -4.140 -3.145 -3.240 1.00 0.00 C ATOM 1340 CD2 PHE A 86 -4.055 -0.764 -3.122 1.00 0.00 C ATOM 1341 CE1 PHE A 86 -4.822 -3.184 -2.039 1.00 0.00 C ATOM 1342 CE2 PHE A 86 -4.736 -0.797 -1.920 1.00 0.00 C ATOM 1343 CZ PHE A 86 -5.122 -2.008 -1.378 1.00 0.00 C ATOM 0 H PHE A 86 -1.093 -0.758 -4.051 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.679 -3.462 -4.464 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.909 -0.861 -5.422 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.598 -2.413 -5.859 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.909 -4.067 -3.753 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.758 0.186 -3.542 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.120 -4.132 -1.617 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.966 0.124 -1.404 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.657 -2.035 -0.440 1.00 0.00 H new ATOM 1353 N SER A 87 -0.482 -1.884 -7.074 1.00 0.00 N ATOM 1354 CA SER A 87 0.036 -2.063 -8.426 1.00 0.00 C ATOM 1355 C SER A 87 1.106 -3.150 -8.458 1.00 0.00 C ATOM 1356 O SER A 87 1.021 -4.096 -9.239 1.00 0.00 O ATOM 1357 CB SER A 87 0.613 -0.747 -8.952 1.00 0.00 C ATOM 1358 OG SER A 87 -0.417 0.184 -9.234 1.00 0.00 O ATOM 0 H SER A 87 -0.307 -0.962 -6.674 1.00 0.00 H new ATOM 0 HA SER A 87 -0.790 -2.371 -9.067 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.297 -0.326 -8.215 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.194 -0.936 -9.855 1.00 0.00 H new ATOM 0 HG SER A 87 -0.734 0.585 -8.398 1.00 0.00 H new ATOM 1364 N ASN A 88 2.113 -3.005 -7.603 1.00 0.00 N ATOM 1365 CA ASN A 88 3.202 -3.973 -7.533 1.00 0.00 C ATOM 1366 C ASN A 88 2.665 -5.377 -7.274 1.00 0.00 C ATOM 1367 O ASN A 88 3.059 -6.336 -7.939 1.00 0.00 O ATOM 1368 CB ASN A 88 4.190 -3.582 -6.433 1.00 0.00 C ATOM 1369 CG ASN A 88 4.769 -2.196 -6.641 1.00 0.00 C ATOM 1370 OD1 ASN A 88 4.906 -1.443 -5.556 1.00 0.00 O flip ATOM 1371 ND2 ASN A 88 5.089 -1.807 -7.765 1.00 0.00 N flip ATOM 0 H ASN A 88 2.198 -2.227 -6.949 1.00 0.00 H new ATOM 0 HA ASN A 88 3.719 -3.972 -8.493 1.00 0.00 H new ATOM 0 HB2 ASN A 88 3.688 -3.621 -5.467 1.00 0.00 H new ATOM 0 HB3 ASN A 88 5.000 -4.310 -6.401 1.00 0.00 H new ATOM 0 HD21 ASN A 88 4.966 -2.420 -8.571 1.00 0.00 H new ATOM 0 HD22 ASN A 88 5.477 -0.872 -7.890 1.00 0.00 H new ATOM 1378 N CYS A 89 1.763 -5.491 -6.306 1.00 0.00 N ATOM 1379 CA CYS A 89 1.171 -6.778 -5.958 1.00 0.00 C ATOM 1380 C CYS A 89 0.958 -7.632 -7.204 1.00 0.00 C ATOM 1381 O CYS A 89 1.638 -8.639 -7.402 1.00 0.00 O ATOM 1382 CB CYS A 89 -0.159 -6.572 -5.233 1.00 0.00 C ATOM 1383 SG CYS A 89 -1.106 -8.092 -4.980 1.00 0.00 S ATOM 0 H CYS A 89 1.425 -4.707 -5.748 1.00 0.00 H new ATOM 0 HA CYS A 89 1.860 -7.300 -5.295 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.035 -6.112 -4.264 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.766 -5.869 -5.803 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.959 -8.239 -5.950 1.00 0.00 H new ATOM 1389 N TYR A 90 0.010 -7.224 -8.039 1.00 0.00 N ATOM 1390 CA TYR A 90 -0.296 -7.955 -9.264 1.00 0.00 C ATOM 1391 C TYR A 90 0.895 -7.942 -10.217 1.00 0.00 C ATOM 1392 O TYR A 90 1.185 -8.938 -10.882 1.00 0.00 O ATOM 1393 CB TYR A 90 -1.521 -7.349 -9.952 1.00 0.00 C ATOM 1394 CG TYR A 90 -2.573 -6.851 -8.987 1.00 0.00 C ATOM 1395 CD1 TYR A 90 -3.283 -7.736 -8.185 1.00 0.00 C ATOM 1396 CD2 TYR A 90 -2.856 -5.495 -8.876 1.00 0.00 C ATOM 1397 CE1 TYR A 90 -4.246 -7.285 -7.303 1.00 0.00 C ATOM 1398 CE2 TYR A 90 -3.816 -5.035 -7.995 1.00 0.00 C ATOM 1399 CZ TYR A 90 -4.508 -5.934 -7.211 1.00 0.00 C ATOM 1400 OH TYR A 90 -5.466 -5.481 -6.333 1.00 0.00 O ATOM 0 H TYR A 90 -0.560 -6.391 -7.891 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.513 -8.989 -8.996 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.200 -6.522 -10.585 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.966 -8.097 -10.608 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.079 -8.794 -8.252 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.316 -4.788 -9.489 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.791 -7.987 -6.689 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.023 -3.978 -7.921 1.00 0.00 H new ATOM 0 HH TYR A 90 -6.002 -4.783 -6.765 1.00 0.00 H new ATOM 1410 N LYS A 91 1.583 -6.807 -10.279 1.00 0.00 N ATOM 1411 CA LYS A 91 2.745 -6.662 -11.148 1.00 0.00 C ATOM 1412 C LYS A 91 3.678 -7.862 -11.014 1.00 0.00 C ATOM 1413 O LYS A 91 4.254 -8.325 -11.998 1.00 0.00 O ATOM 1414 CB LYS A 91 3.501 -5.375 -10.814 1.00 0.00 C ATOM 1415 CG LYS A 91 4.286 -4.808 -11.984 1.00 0.00 C ATOM 1416 CD LYS A 91 5.650 -5.466 -12.111 1.00 0.00 C ATOM 1417 CE LYS A 91 6.472 -4.834 -13.224 1.00 0.00 C ATOM 1418 NZ LYS A 91 7.419 -5.808 -13.835 1.00 0.00 N ATOM 0 H LYS A 91 1.356 -5.973 -9.737 1.00 0.00 H new ATOM 0 HA LYS A 91 2.392 -6.611 -12.178 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.789 -4.625 -10.468 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.186 -5.570 -9.989 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.723 -4.954 -12.906 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.410 -3.733 -11.853 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.187 -5.379 -11.166 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.525 -6.530 -12.309 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.804 -4.445 -13.993 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.029 -3.985 -12.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.772 -5.430 -14.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.219 -5.967 -13.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.928 -6.709 -14.006 1.00 0.00 H new ATOM 1432 N TYR A 92 3.821 -8.360 -9.791 1.00 0.00 N ATOM 1433 CA TYR A 92 4.685 -9.504 -9.528 1.00 0.00 C ATOM 1434 C TYR A 92 3.875 -10.796 -9.466 1.00 0.00 C ATOM 1435 O TYR A 92 3.975 -11.647 -10.348 1.00 0.00 O ATOM 1436 CB TYR A 92 5.448 -9.304 -8.217 1.00 0.00 C ATOM 1437 CG TYR A 92 6.291 -10.495 -7.820 1.00 0.00 C ATOM 1438 CD1 TYR A 92 7.434 -10.831 -8.536 1.00 0.00 C ATOM 1439 CD2 TYR A 92 5.945 -11.283 -6.730 1.00 0.00 C ATOM 1440 CE1 TYR A 92 8.207 -11.918 -8.177 1.00 0.00 C ATOM 1441 CE2 TYR A 92 6.714 -12.371 -6.363 1.00 0.00 C ATOM 1442 CZ TYR A 92 7.843 -12.684 -7.089 1.00 0.00 C ATOM 1443 OH TYR A 92 8.611 -13.768 -6.728 1.00 0.00 O ATOM 0 H TYR A 92 3.350 -7.989 -8.966 1.00 0.00 H new ATOM 0 HA TYR A 92 5.399 -9.583 -10.348 1.00 0.00 H new ATOM 0 HB2 TYR A 92 6.091 -8.429 -8.310 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.735 -9.092 -7.420 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.723 -10.232 -9.387 1.00 0.00 H new ATOM 0 HD2 TYR A 92 5.060 -11.041 -6.160 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.091 -12.167 -8.745 1.00 0.00 H new ATOM 0 HE2 TYR A 92 6.432 -12.973 -5.512 1.00 0.00 H new ATOM 0 HH TYR A 92 8.218 -14.200 -5.941 1.00 0.00 H new ATOM 1453 N ASN A 93 3.070 -10.932 -8.417 1.00 0.00 N ATOM 1454 CA ASN A 93 2.242 -12.119 -8.239 1.00 0.00 C ATOM 1455 C ASN A 93 1.446 -12.422 -9.504 1.00 0.00 C ATOM 1456 O ASN A 93 0.956 -11.523 -10.189 1.00 0.00 O ATOM 1457 CB ASN A 93 1.289 -11.928 -7.057 1.00 0.00 C ATOM 1458 CG ASN A 93 2.022 -11.837 -5.732 1.00 0.00 C ATOM 1459 OD1 ASN A 93 2.742 -12.757 -5.344 1.00 0.00 O ATOM 1460 ND2 ASN A 93 1.840 -10.724 -5.031 1.00 0.00 N ATOM 0 H ASN A 93 2.974 -10.235 -7.678 1.00 0.00 H new ATOM 0 HA ASN A 93 2.900 -12.963 -8.035 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.704 -11.021 -7.208 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.585 -12.759 -7.023 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.306 -10.606 -4.132 1.00 0.00 H new ATOM 0 HD22 ASN A 93 1.234 -9.987 -5.392 1.00 0.00 H new ATOM 1467 N PRO A 94 1.312 -13.718 -9.823 1.00 0.00 N ATOM 1468 CA PRO A 94 0.575 -14.169 -11.007 1.00 0.00 C ATOM 1469 C PRO A 94 -0.927 -13.946 -10.875 1.00 0.00 C ATOM 1470 O PRO A 94 -1.458 -13.763 -9.779 1.00 0.00 O ATOM 1471 CB PRO A 94 0.890 -15.666 -11.071 1.00 0.00 C ATOM 1472 CG PRO A 94 1.211 -16.046 -9.667 1.00 0.00 C ATOM 1473 CD PRO A 94 1.870 -14.841 -9.053 1.00 0.00 C ATOM 0 HA PRO A 94 0.866 -13.619 -11.902 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.040 -16.233 -11.450 1.00 0.00 H new ATOM 0 HB3 PRO A 94 1.729 -15.866 -11.737 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.308 -16.318 -9.120 1.00 0.00 H new ATOM 0 HG3 PRO A 94 1.874 -16.911 -9.638 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.639 -14.754 -7.991 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.955 -14.888 -9.141 1.00 0.00 H new ATOM 1481 N PRO A 95 -1.631 -13.962 -12.017 1.00 0.00 N ATOM 1482 CA PRO A 95 -3.083 -13.763 -12.054 1.00 0.00 C ATOM 1483 C PRO A 95 -3.845 -14.940 -11.454 1.00 0.00 C ATOM 1484 O PRO A 95 -5.074 -14.930 -11.393 1.00 0.00 O ATOM 1485 CB PRO A 95 -3.386 -13.637 -13.549 1.00 0.00 C ATOM 1486 CG PRO A 95 -2.279 -14.372 -14.223 1.00 0.00 C ATOM 1487 CD PRO A 95 -1.064 -14.174 -13.359 1.00 0.00 C ATOM 0 HA PRO A 95 -3.390 -12.897 -11.468 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.356 -14.070 -13.794 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.415 -12.593 -13.860 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.518 -15.431 -14.324 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.110 -13.986 -15.228 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.407 -15.043 -13.385 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.474 -13.318 -13.686 1.00 0.00 H new ATOM 1495 N ASP A 96 -3.107 -15.953 -11.012 1.00 0.00 N ATOM 1496 CA ASP A 96 -3.713 -17.137 -10.415 1.00 0.00 C ATOM 1497 C ASP A 96 -3.604 -17.096 -8.894 1.00 0.00 C ATOM 1498 O ASP A 96 -4.458 -17.628 -8.185 1.00 0.00 O ATOM 1499 CB ASP A 96 -3.044 -18.404 -10.952 1.00 0.00 C ATOM 1500 CG ASP A 96 -1.810 -18.787 -10.161 1.00 0.00 C ATOM 1501 OD1 ASP A 96 -0.707 -18.323 -10.519 1.00 0.00 O ATOM 1502 OD2 ASP A 96 -1.946 -19.551 -9.182 1.00 0.00 O ATOM 0 H ASP A 96 -2.088 -15.977 -11.056 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.769 -17.150 -10.685 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.758 -19.227 -10.926 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.770 -18.252 -11.996 1.00 0.00 H new ATOM 1507 N HIS A 97 -2.546 -16.461 -8.399 1.00 0.00 N ATOM 1508 CA HIS A 97 -2.325 -16.350 -6.962 1.00 0.00 C ATOM 1509 C HIS A 97 -3.588 -15.871 -6.253 1.00 0.00 C ATOM 1510 O HIS A 97 -4.139 -14.824 -6.589 1.00 0.00 O ATOM 1511 CB HIS A 97 -1.170 -15.390 -6.675 1.00 0.00 C ATOM 1512 CG HIS A 97 -0.504 -15.631 -5.355 1.00 0.00 C ATOM 1513 ND1 HIS A 97 -1.130 -16.264 -4.301 1.00 0.00 N ATOM 1514 CD2 HIS A 97 0.740 -15.322 -4.921 1.00 0.00 C ATOM 1515 CE1 HIS A 97 -0.300 -16.332 -3.276 1.00 0.00 C ATOM 1516 NE2 HIS A 97 0.842 -15.767 -3.626 1.00 0.00 N ATOM 0 H HIS A 97 -1.829 -16.016 -8.972 1.00 0.00 H new ATOM 0 HA HIS A 97 -2.069 -17.339 -6.582 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -0.428 -15.480 -7.469 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -1.544 -14.366 -6.702 1.00 0.00 H new ATOM 0 HD2 HIS A 97 1.509 -14.819 -5.488 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -0.518 -16.774 -2.315 1.00 0.00 H new ATOM 0 HE2 HIS A 97 1.665 -15.676 -3.031 1.00 0.00 H new ATOM 1524 N GLU A 98 -4.040 -16.646 -5.272 1.00 0.00 N ATOM 1525 CA GLU A 98 -5.239 -16.300 -4.517 1.00 0.00 C ATOM 1526 C GLU A 98 -5.082 -14.943 -3.837 1.00 0.00 C ATOM 1527 O GLU A 98 -6.034 -14.167 -3.747 1.00 0.00 O ATOM 1528 CB GLU A 98 -5.538 -17.376 -3.471 1.00 0.00 C ATOM 1529 CG GLU A 98 -4.720 -17.231 -2.199 1.00 0.00 C ATOM 1530 CD GLU A 98 -5.094 -18.255 -1.145 1.00 0.00 C ATOM 1531 OE1 GLU A 98 -6.291 -18.597 -1.048 1.00 0.00 O ATOM 1532 OE2 GLU A 98 -4.189 -18.714 -0.417 1.00 0.00 O ATOM 0 H GLU A 98 -3.595 -17.517 -4.982 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.073 -16.242 -5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.598 -17.340 -3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.347 -18.357 -3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.661 -17.332 -2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.861 -16.229 -1.793 1.00 0.00 H new ATOM 1539 N VAL A 99 -3.873 -14.664 -3.359 1.00 0.00 N ATOM 1540 CA VAL A 99 -3.590 -13.401 -2.688 1.00 0.00 C ATOM 1541 C VAL A 99 -4.101 -12.218 -3.503 1.00 0.00 C ATOM 1542 O VAL A 99 -4.587 -11.232 -2.949 1.00 0.00 O ATOM 1543 CB VAL A 99 -2.081 -13.224 -2.438 1.00 0.00 C ATOM 1544 CG1 VAL A 99 -1.401 -12.636 -3.666 1.00 0.00 C ATOM 1545 CG2 VAL A 99 -1.842 -12.350 -1.216 1.00 0.00 C ATOM 0 H VAL A 99 -3.075 -15.295 -3.424 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.109 -13.429 -1.730 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.645 -14.204 -2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.335 -12.518 -3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.542 -13.304 -4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.838 -11.664 -3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.770 -12.236 -1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.291 -11.370 -1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.293 -12.817 -0.341 1.00 0.00 H new ATOM 1555 N VAL A 100 -3.988 -12.324 -4.823 1.00 0.00 N ATOM 1556 CA VAL A 100 -4.440 -11.264 -5.716 1.00 0.00 C ATOM 1557 C VAL A 100 -5.926 -10.981 -5.526 1.00 0.00 C ATOM 1558 O VAL A 100 -6.346 -9.826 -5.463 1.00 0.00 O ATOM 1559 CB VAL A 100 -4.182 -11.624 -7.191 1.00 0.00 C ATOM 1560 CG1 VAL A 100 -4.890 -10.643 -8.113 1.00 0.00 C ATOM 1561 CG2 VAL A 100 -2.689 -11.655 -7.478 1.00 0.00 C ATOM 0 H VAL A 100 -3.587 -13.133 -5.298 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.868 -10.372 -5.462 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.586 -12.619 -7.380 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.696 -10.914 -9.151 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.963 -10.676 -7.924 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.519 -9.635 -7.926 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.525 -11.911 -8.525 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.259 -10.675 -7.272 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.212 -12.401 -6.843 1.00 0.00 H new ATOM 1571 N ALA A 101 -6.718 -12.044 -5.435 1.00 0.00 N ATOM 1572 CA ALA A 101 -8.158 -11.911 -5.249 1.00 0.00 C ATOM 1573 C ALA A 101 -8.479 -11.221 -3.928 1.00 0.00 C ATOM 1574 O ALA A 101 -9.509 -10.561 -3.797 1.00 0.00 O ATOM 1575 CB ALA A 101 -8.827 -13.277 -5.310 1.00 0.00 C ATOM 0 H ALA A 101 -6.387 -13.007 -5.487 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.548 -11.292 -6.057 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.902 -13.162 -5.170 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.635 -13.733 -6.281 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.424 -13.915 -4.523 1.00 0.00 H new ATOM 1581 N MET A 102 -7.592 -11.380 -2.952 1.00 0.00 N ATOM 1582 CA MET A 102 -7.782 -10.771 -1.640 1.00 0.00 C ATOM 1583 C MET A 102 -7.455 -9.281 -1.680 1.00 0.00 C ATOM 1584 O MET A 102 -8.144 -8.469 -1.064 1.00 0.00 O ATOM 1585 CB MET A 102 -6.906 -11.469 -0.598 1.00 0.00 C ATOM 1586 CG MET A 102 -7.300 -12.916 -0.345 1.00 0.00 C ATOM 1587 SD MET A 102 -6.916 -13.456 1.332 1.00 0.00 S ATOM 1588 CE MET A 102 -5.158 -13.119 1.403 1.00 0.00 C ATOM 0 H MET A 102 -6.735 -11.925 -3.044 1.00 0.00 H new ATOM 0 HA MET A 102 -8.829 -10.888 -1.361 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.867 -11.436 -0.927 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.961 -10.917 0.340 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.368 -13.035 -0.525 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.783 -13.559 -1.057 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.628 -14.017 1.719 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.805 -12.818 0.417 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.970 -12.317 2.116 1.00 0.00 H new ATOM 1598 N ALA A 103 -6.400 -8.931 -2.408 1.00 0.00 N ATOM 1599 CA ALA A 103 -5.984 -7.539 -2.529 1.00 0.00 C ATOM 1600 C ALA A 103 -7.099 -6.681 -3.117 1.00 0.00 C ATOM 1601 O ALA A 103 -7.290 -5.534 -2.715 1.00 0.00 O ATOM 1602 CB ALA A 103 -4.729 -7.436 -3.383 1.00 0.00 C ATOM 0 H ALA A 103 -5.818 -9.592 -2.923 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.762 -7.164 -1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.429 -6.391 -3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.926 -8.008 -2.920 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.932 -7.834 -4.377 1.00 0.00 H new ATOM 1608 N ARG A 104 -7.832 -7.245 -4.071 1.00 0.00 N ATOM 1609 CA ARG A 104 -8.927 -6.531 -4.716 1.00 0.00 C ATOM 1610 C ARG A 104 -9.985 -6.121 -3.695 1.00 0.00 C ATOM 1611 O ARG A 104 -10.414 -4.968 -3.658 1.00 0.00 O ATOM 1612 CB ARG A 104 -9.562 -7.401 -5.803 1.00 0.00 C ATOM 1613 CG ARG A 104 -8.683 -7.581 -7.030 1.00 0.00 C ATOM 1614 CD ARG A 104 -9.217 -8.673 -7.942 1.00 0.00 C ATOM 1615 NE ARG A 104 -10.427 -8.256 -8.646 1.00 0.00 N ATOM 1616 CZ ARG A 104 -11.304 -9.106 -9.168 1.00 0.00 C ATOM 1617 NH1 ARG A 104 -11.108 -10.413 -9.066 1.00 0.00 N ATOM 1618 NH2 ARG A 104 -12.381 -8.649 -9.794 1.00 0.00 N ATOM 0 H ARG A 104 -7.687 -8.194 -4.414 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.520 -5.630 -5.174 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.792 -8.381 -5.384 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.509 -6.954 -6.107 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.627 -6.641 -7.580 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.668 -7.829 -6.719 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.451 -8.945 -8.668 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.430 -9.565 -7.353 1.00 0.00 H new ATOM 0 HE ARG A 104 -10.608 -7.257 -8.742 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.282 -10.769 -8.585 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.784 -11.063 -9.468 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -12.536 -7.644 -9.875 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -13.054 -9.303 -10.195 1.00 0.00 H new ATOM 1632 N LYS A 105 -10.402 -7.074 -2.868 1.00 0.00 N ATOM 1633 CA LYS A 105 -11.408 -6.813 -1.846 1.00 0.00 C ATOM 1634 C LYS A 105 -11.077 -5.544 -1.067 1.00 0.00 C ATOM 1635 O LYS A 105 -11.932 -4.677 -0.881 1.00 0.00 O ATOM 1636 CB LYS A 105 -11.509 -8.001 -0.886 1.00 0.00 C ATOM 1637 CG LYS A 105 -12.303 -9.169 -1.446 1.00 0.00 C ATOM 1638 CD LYS A 105 -12.326 -10.341 -0.479 1.00 0.00 C ATOM 1639 CE LYS A 105 -12.945 -11.576 -1.115 1.00 0.00 C ATOM 1640 NZ LYS A 105 -12.095 -12.121 -2.210 1.00 0.00 N ATOM 0 H LYS A 105 -10.058 -8.034 -2.886 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.367 -6.672 -2.344 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.504 -8.342 -0.636 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.973 -7.669 0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.324 -8.849 -1.656 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.867 -9.486 -2.393 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -11.310 -10.567 -0.156 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.891 -10.068 0.412 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.092 -12.342 -0.353 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.930 -11.326 -1.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.397 -13.091 -2.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -12.194 -11.524 -3.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -11.100 -12.129 -1.906 1.00 0.00 H new ATOM 1654 N LEU A 106 -9.832 -5.440 -0.616 1.00 0.00 N ATOM 1655 CA LEU A 106 -9.388 -4.275 0.141 1.00 0.00 C ATOM 1656 C LEU A 106 -9.319 -3.040 -0.751 1.00 0.00 C ATOM 1657 O LEU A 106 -9.839 -1.981 -0.401 1.00 0.00 O ATOM 1658 CB LEU A 106 -8.018 -4.542 0.769 1.00 0.00 C ATOM 1659 CG LEU A 106 -7.536 -3.512 1.790 1.00 0.00 C ATOM 1660 CD1 LEU A 106 -8.267 -3.687 3.112 1.00 0.00 C ATOM 1661 CD2 LEU A 106 -6.032 -3.625 1.991 1.00 0.00 C ATOM 0 H LEU A 106 -9.112 -6.148 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.114 -4.089 0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.047 -5.518 1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.280 -4.604 -0.031 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.758 -2.516 1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.910 -2.945 3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.338 -3.555 2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -8.078 -4.687 3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.706 -2.884 2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.787 -4.624 2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.524 -3.448 1.043 1.00 0.00 H new ATOM 1673 N GLN A 107 -8.675 -3.185 -1.905 1.00 0.00 N ATOM 1674 CA GLN A 107 -8.540 -2.080 -2.847 1.00 0.00 C ATOM 1675 C GLN A 107 -9.889 -1.414 -3.102 1.00 0.00 C ATOM 1676 O GLN A 107 -10.002 -0.189 -3.070 1.00 0.00 O ATOM 1677 CB GLN A 107 -7.946 -2.577 -4.166 1.00 0.00 C ATOM 1678 CG GLN A 107 -7.676 -1.467 -5.169 1.00 0.00 C ATOM 1679 CD GLN A 107 -6.950 -1.961 -6.405 1.00 0.00 C ATOM 1680 OE1 GLN A 107 -6.572 -3.129 -6.492 1.00 0.00 O ATOM 1681 NE2 GLN A 107 -6.752 -1.071 -7.370 1.00 0.00 N ATOM 0 H GLN A 107 -8.239 -4.055 -2.210 1.00 0.00 H new ATOM 0 HA GLN A 107 -7.868 -1.342 -2.409 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.014 -3.103 -3.960 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.628 -3.300 -4.612 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.621 -1.012 -5.465 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.083 -0.687 -4.691 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -7.082 -0.113 -7.256 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -6.270 -1.345 -8.226 1.00 0.00 H new ATOM 1690 N ASP A 108 -10.907 -2.229 -3.356 1.00 0.00 N ATOM 1691 CA ASP A 108 -12.248 -1.719 -3.616 1.00 0.00 C ATOM 1692 C ASP A 108 -12.680 -0.745 -2.524 1.00 0.00 C ATOM 1693 O ASP A 108 -13.138 0.361 -2.809 1.00 0.00 O ATOM 1694 CB ASP A 108 -13.246 -2.873 -3.711 1.00 0.00 C ATOM 1695 CG ASP A 108 -14.489 -2.501 -4.495 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -14.421 -2.486 -5.742 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -15.529 -2.223 -3.862 1.00 0.00 O ATOM 0 H ASP A 108 -10.829 -3.246 -3.387 1.00 0.00 H new ATOM 0 HA ASP A 108 -12.229 -1.186 -4.567 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -12.764 -3.728 -4.184 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -13.533 -3.185 -2.707 1.00 0.00 H new ATOM 1702 N VAL A 109 -12.532 -1.165 -1.271 1.00 0.00 N ATOM 1703 CA VAL A 109 -12.907 -0.331 -0.136 1.00 0.00 C ATOM 1704 C VAL A 109 -12.119 0.974 -0.129 1.00 0.00 C ATOM 1705 O VAL A 109 -12.688 2.055 0.020 1.00 0.00 O ATOM 1706 CB VAL A 109 -12.678 -1.064 1.199 1.00 0.00 C ATOM 1707 CG1 VAL A 109 -13.040 -0.165 2.371 1.00 0.00 C ATOM 1708 CG2 VAL A 109 -13.478 -2.357 1.241 1.00 0.00 C ATOM 0 H VAL A 109 -12.155 -2.078 -1.017 1.00 0.00 H new ATOM 0 HA VAL A 109 -13.969 -0.110 -0.243 1.00 0.00 H new ATOM 0 HB VAL A 109 -11.620 -1.315 1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -12.872 -0.700 3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -12.419 0.730 2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.090 0.120 2.300 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -13.304 -2.862 2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.540 -2.132 1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -13.164 -3.006 0.423 1.00 0.00 H new ATOM 1718 N PHE A 110 -10.804 0.865 -0.291 1.00 0.00 N ATOM 1719 CA PHE A 110 -9.936 2.037 -0.302 1.00 0.00 C ATOM 1720 C PHE A 110 -10.313 2.982 -1.440 1.00 0.00 C ATOM 1721 O PHE A 110 -10.119 4.193 -1.344 1.00 0.00 O ATOM 1722 CB PHE A 110 -8.473 1.612 -0.441 1.00 0.00 C ATOM 1723 CG PHE A 110 -7.544 2.753 -0.746 1.00 0.00 C ATOM 1724 CD1 PHE A 110 -7.379 3.201 -2.046 1.00 0.00 C ATOM 1725 CD2 PHE A 110 -6.835 3.376 0.268 1.00 0.00 C ATOM 1726 CE1 PHE A 110 -6.526 4.251 -2.330 1.00 0.00 C ATOM 1727 CE2 PHE A 110 -5.980 4.426 -0.009 1.00 0.00 C ATOM 1728 CZ PHE A 110 -5.825 4.863 -1.310 1.00 0.00 C ATOM 0 H PHE A 110 -10.317 -0.022 -0.416 1.00 0.00 H new ATOM 0 HA PHE A 110 -10.066 2.564 0.643 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -8.153 1.131 0.483 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -8.393 0.867 -1.233 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.923 2.724 -2.848 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -6.952 3.037 1.287 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -6.408 4.592 -3.348 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.434 4.904 0.791 1.00 0.00 H new ATOM 0 HZ PHE A 110 -5.156 5.682 -1.529 1.00 0.00 H new ATOM 1738 N GLU A 111 -10.853 2.418 -2.516 1.00 0.00 N ATOM 1739 CA GLU A 111 -11.256 3.210 -3.672 1.00 0.00 C ATOM 1740 C GLU A 111 -12.552 3.965 -3.389 1.00 0.00 C ATOM 1741 O GLU A 111 -12.608 5.188 -3.510 1.00 0.00 O ATOM 1742 CB GLU A 111 -11.434 2.310 -4.897 1.00 0.00 C ATOM 1743 CG GLU A 111 -10.133 2.000 -5.618 1.00 0.00 C ATOM 1744 CD GLU A 111 -9.780 3.044 -6.660 1.00 0.00 C ATOM 1745 OE1 GLU A 111 -10.706 3.703 -7.178 1.00 0.00 O ATOM 1746 OE2 GLU A 111 -8.577 3.203 -6.956 1.00 0.00 O ATOM 0 H GLU A 111 -11.021 1.416 -2.611 1.00 0.00 H new ATOM 0 HA GLU A 111 -10.469 3.937 -3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.899 1.375 -4.586 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.120 2.791 -5.594 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.325 1.932 -4.889 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.212 1.025 -6.098 1.00 0.00 H new ATOM 1753 N MET A 112 -13.590 3.226 -3.012 1.00 0.00 N ATOM 1754 CA MET A 112 -14.885 3.826 -2.712 1.00 0.00 C ATOM 1755 C MET A 112 -14.784 4.767 -1.516 1.00 0.00 C ATOM 1756 O MET A 112 -15.495 5.769 -1.441 1.00 0.00 O ATOM 1757 CB MET A 112 -15.923 2.737 -2.432 1.00 0.00 C ATOM 1758 CG MET A 112 -15.614 1.906 -1.197 1.00 0.00 C ATOM 1759 SD MET A 112 -17.101 1.278 -0.393 1.00 0.00 S ATOM 1760 CE MET A 112 -17.962 0.558 -1.789 1.00 0.00 C ATOM 0 H MET A 112 -13.560 2.212 -2.907 1.00 0.00 H new ATOM 0 HA MET A 112 -15.200 4.404 -3.581 1.00 0.00 H new ATOM 0 HB2 MET A 112 -16.902 3.202 -2.312 1.00 0.00 H new ATOM 0 HB3 MET A 112 -15.988 2.077 -3.297 1.00 0.00 H new ATOM 0 HG2 MET A 112 -14.976 1.068 -1.478 1.00 0.00 H new ATOM 0 HG3 MET A 112 -15.050 2.512 -0.488 1.00 0.00 H new ATOM 0 HE1 MET A 112 -18.768 -0.082 -1.429 1.00 0.00 H new ATOM 0 HE2 MET A 112 -18.378 1.352 -2.409 1.00 0.00 H new ATOM 0 HE3 MET A 112 -17.264 -0.035 -2.380 1.00 0.00 H new ATOM 1770 N ARG A 113 -13.897 4.438 -0.582 1.00 0.00 N ATOM 1771 CA ARG A 113 -13.705 5.253 0.611 1.00 0.00 C ATOM 1772 C ARG A 113 -13.243 6.660 0.239 1.00 0.00 C ATOM 1773 O ARG A 113 -13.824 7.652 0.679 1.00 0.00 O ATOM 1774 CB ARG A 113 -12.683 4.599 1.542 1.00 0.00 C ATOM 1775 CG ARG A 113 -13.279 3.535 2.449 1.00 0.00 C ATOM 1776 CD ARG A 113 -14.119 4.153 3.556 1.00 0.00 C ATOM 1777 NE ARG A 113 -14.651 3.144 4.468 1.00 0.00 N ATOM 1778 CZ ARG A 113 -15.709 3.342 5.246 1.00 0.00 C ATOM 1779 NH1 ARG A 113 -16.345 4.505 5.223 1.00 0.00 N ATOM 1780 NH2 ARG A 113 -16.133 2.375 6.050 1.00 0.00 N ATOM 0 H ARG A 113 -13.300 3.612 -0.629 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.662 5.327 1.128 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.892 4.151 0.941 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.219 5.370 2.157 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.895 2.856 1.859 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.478 2.939 2.888 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -13.513 4.865 4.117 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -14.943 4.714 3.115 1.00 0.00 H new ATOM 0 HE ARG A 113 -14.185 2.238 4.510 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -16.022 5.251 4.607 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -17.157 4.654 5.822 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -15.646 1.479 6.071 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -16.946 2.528 6.647 1.00 0.00 H new ATOM 1794 N PHE A 114 -12.194 6.737 -0.573 1.00 0.00 N ATOM 1795 CA PHE A 114 -11.653 8.021 -1.003 1.00 0.00 C ATOM 1796 C PHE A 114 -12.760 8.928 -1.532 1.00 0.00 C ATOM 1797 O PHE A 114 -12.811 10.115 -1.212 1.00 0.00 O ATOM 1798 CB PHE A 114 -10.588 7.815 -2.081 1.00 0.00 C ATOM 1799 CG PHE A 114 -9.560 8.909 -2.126 1.00 0.00 C ATOM 1800 CD1 PHE A 114 -9.923 10.206 -2.450 1.00 0.00 C ATOM 1801 CD2 PHE A 114 -8.230 8.640 -1.844 1.00 0.00 C ATOM 1802 CE1 PHE A 114 -8.979 11.215 -2.492 1.00 0.00 C ATOM 1803 CE2 PHE A 114 -7.281 9.645 -1.884 1.00 0.00 C ATOM 1804 CZ PHE A 114 -7.657 10.934 -2.208 1.00 0.00 C ATOM 0 H PHE A 114 -11.702 5.925 -0.946 1.00 0.00 H new ATOM 0 HA PHE A 114 -11.196 8.502 -0.138 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -10.086 6.863 -1.907 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -11.076 7.746 -3.053 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -10.956 10.432 -2.672 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -7.931 7.634 -1.590 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -9.275 12.222 -2.747 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -6.248 9.422 -1.662 1.00 0.00 H new ATOM 0 HZ PHE A 114 -6.918 11.721 -2.239 1.00 0.00 H new ATOM 1814 N ALA A 115 -13.644 8.359 -2.345 1.00 0.00 N ATOM 1815 CA ALA A 115 -14.751 9.115 -2.918 1.00 0.00 C ATOM 1816 C ALA A 115 -15.749 9.529 -1.841 1.00 0.00 C ATOM 1817 O ALA A 115 -16.158 10.688 -1.772 1.00 0.00 O ATOM 1818 CB ALA A 115 -15.445 8.297 -3.997 1.00 0.00 C ATOM 0 H ALA A 115 -13.615 7.378 -2.622 1.00 0.00 H new ATOM 0 HA ALA A 115 -14.346 10.021 -3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -16.270 8.873 -4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -14.732 8.056 -4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -15.831 7.375 -3.563 1.00 0.00 H new ATOM 1824 N LYS A 116 -16.138 8.574 -1.003 1.00 0.00 N ATOM 1825 CA LYS A 116 -17.088 8.839 0.071 1.00 0.00 C ATOM 1826 C LYS A 116 -16.868 10.227 0.662 1.00 0.00 C ATOM 1827 O LYS A 116 -17.818 10.982 0.868 1.00 0.00 O ATOM 1828 CB LYS A 116 -16.957 7.779 1.168 1.00 0.00 C ATOM 1829 CG LYS A 116 -17.516 6.423 0.773 1.00 0.00 C ATOM 1830 CD LYS A 116 -19.016 6.349 1.005 1.00 0.00 C ATOM 1831 CE LYS A 116 -19.492 4.909 1.118 1.00 0.00 C ATOM 1832 NZ LYS A 116 -20.898 4.752 0.651 1.00 0.00 N ATOM 0 H LYS A 116 -15.810 7.609 -1.047 1.00 0.00 H new ATOM 0 HA LYS A 116 -18.093 8.798 -0.348 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -15.905 7.667 1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -17.472 8.128 2.063 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -17.300 6.231 -0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -17.019 5.642 1.348 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -19.271 6.890 1.916 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -19.537 6.842 0.184 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -18.840 4.263 0.530 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -19.415 4.581 2.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -21.186 3.757 0.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -21.524 5.349 1.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -20.967 5.041 -0.346 1.00 0.00 H new ATOM 1846 N MET A 117 -15.609 10.558 0.931 1.00 0.00 N ATOM 1847 CA MET A 117 -15.265 11.858 1.496 1.00 0.00 C ATOM 1848 C MET A 117 -16.162 12.953 0.927 1.00 0.00 C ATOM 1849 O MET A 117 -15.978 13.394 -0.208 1.00 0.00 O ATOM 1850 CB MET A 117 -13.798 12.188 1.215 1.00 0.00 C ATOM 1851 CG MET A 117 -13.251 13.312 2.079 1.00 0.00 C ATOM 1852 SD MET A 117 -11.629 13.882 1.535 1.00 0.00 S ATOM 1853 CE MET A 117 -10.773 12.321 1.335 1.00 0.00 C ATOM 0 H MET A 117 -14.811 9.945 0.767 1.00 0.00 H new ATOM 0 HA MET A 117 -15.419 11.810 2.574 1.00 0.00 H new ATOM 0 HB2 MET A 117 -13.196 11.293 1.374 1.00 0.00 H new ATOM 0 HB3 MET A 117 -13.691 12.462 0.166 1.00 0.00 H new ATOM 0 HG2 MET A 117 -13.949 14.149 2.064 1.00 0.00 H new ATOM 0 HG3 MET A 117 -13.184 12.971 3.112 1.00 0.00 H new ATOM 0 HE1 MET A 117 -9.896 12.302 1.981 1.00 0.00 H new ATOM 0 HE2 MET A 117 -11.441 11.503 1.605 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.461 12.207 0.297 1.00 0.00 H new