USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 938 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 14 GLN : amide:sc= -9.72! C(o=-13!,f=-15!) USER MOD Set 1.2: A 62 GLN : amide:sc= -3.52! C(o=-13!,f=-14!) USER MOD Set 2.1: A 7 THR OG1 : rot 28:sc= -3.37! USER MOD Set 2.2: A 8 SER OG : rot 118:sc= -3.55! USER MOD Single : A 17 LYS NZ :NH3+ -170:sc= -0.563 (180deg=-0.867) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 165:sc=-0.00385 (180deg=-0.187) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.017 K(o=-0.017,f=-1.9!) USER MOD Single : A 43 SER OG : rot 140:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.183 X(o=0.18,f=-0.18) USER MOD Single : A 49 GLN : amide:sc= -2.77! K(o=-2.8!,f=-0.13) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= -1.59 K(o=-1.6,f=-3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -115:sc= -0.0829 (180deg=-1.9!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.00966 USER MOD Single : A 65 SER OG : rot 136:sc= 0.962 USER MOD Single : A 68 LYS NZ :NH3+ -168:sc= -0.0082 (180deg=-0.216) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -11.4! C(o=-11!,f=-12!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -31:sc= 0.558 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -10! C(o=-10!,f=-6.7!) USER MOD Single : A 88 LYS NZ :NH3+ -118:sc= -1.28 (180deg=-3.27!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 171:sc= -0.696 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.121 K(o=-0.12,f=-2.3!) USER MOD Single : A 104 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-0.4) USER MOD Single : A 105 LYS NZ :NH3+ -126:sc= -1.62 (180deg=-3.92!) USER MOD Single : A 107 ASN : amide:sc= -1.48 K(o=-1.5,f=-8.8!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.245 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -3.32! C(o=-3.3!,f=-3.3!) USER MOD Single : A 112 SER OG : rot 180:sc= -0.228 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 118 ASN : amide:sc= -5.58! C(o=-5.6!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 7 10.010 -15.406 -5.314 1.00 0.00 N ATOM 83 CA THR A 7 10.861 -15.053 -4.130 1.00 0.00 C ATOM 84 C THR A 7 11.246 -13.561 -4.232 1.00 0.00 C ATOM 85 O THR A 7 11.673 -13.143 -5.280 1.00 0.00 O ATOM 86 CB THR A 7 12.073 -16.021 -4.039 1.00 0.00 C ATOM 87 OG1 THR A 7 12.393 -16.242 -2.673 1.00 0.00 O ATOM 88 CG2 THR A 7 13.317 -15.434 -4.731 1.00 0.00 C ATOM 0 HA THR A 7 10.318 -15.180 -3.194 1.00 0.00 H new ATOM 0 HB THR A 7 11.796 -16.951 -4.536 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.587 -16.130 -2.126 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.145 -16.137 -4.648 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.097 -15.255 -5.783 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.590 -14.494 -4.252 1.00 0.00 H new ATOM 96 N SER A 8 11.259 -12.765 -3.159 1.00 0.00 N ATOM 97 CA SER A 8 10.748 -13.171 -1.804 1.00 0.00 C ATOM 98 C SER A 8 10.757 -11.911 -0.968 1.00 0.00 C ATOM 99 O SER A 8 11.785 -11.395 -0.586 1.00 0.00 O ATOM 100 CB SER A 8 11.653 -14.247 -1.188 1.00 0.00 C ATOM 101 OG SER A 8 11.061 -15.530 -1.350 1.00 0.00 O ATOM 0 H SER A 8 11.622 -11.812 -3.184 1.00 0.00 H new ATOM 0 HA SER A 8 9.748 -13.601 -1.861 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.633 -14.227 -1.665 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.809 -14.040 -0.129 1.00 0.00 H new ATOM 0 HG SER A 8 11.645 -16.093 -1.900 1.00 0.00 H new ATOM 107 N TRP A 9 9.594 -11.543 -0.545 1.00 0.00 N ATOM 108 CA TRP A 9 9.406 -10.465 0.398 1.00 0.00 C ATOM 109 C TRP A 9 7.899 -10.407 0.542 1.00 0.00 C ATOM 110 O TRP A 9 7.190 -10.424 -0.412 1.00 0.00 O ATOM 111 CB TRP A 9 10.080 -9.167 -0.131 1.00 0.00 C ATOM 112 CG TRP A 9 9.258 -8.691 -1.309 1.00 0.00 C ATOM 113 CD1 TRP A 9 9.007 -9.452 -2.385 1.00 0.00 C ATOM 114 CD2 TRP A 9 8.565 -7.430 -1.546 1.00 0.00 C ATOM 115 NE1 TRP A 9 8.162 -8.806 -3.246 1.00 0.00 N ATOM 116 CE2 TRP A 9 7.877 -7.529 -2.800 1.00 0.00 C ATOM 117 CE3 TRP A 9 8.453 -6.223 -0.818 1.00 0.00 C ATOM 118 CZ2 TRP A 9 7.109 -6.468 -3.297 1.00 0.00 C ATOM 119 CZ3 TRP A 9 7.684 -5.152 -1.323 1.00 0.00 C ATOM 120 CH2 TRP A 9 7.016 -5.273 -2.558 1.00 0.00 C ATOM 0 H TRP A 9 8.724 -11.984 -0.844 1.00 0.00 H new ATOM 0 HA TRP A 9 9.874 -10.602 1.373 1.00 0.00 H new ATOM 0 HB2 TRP A 9 10.115 -8.405 0.648 1.00 0.00 H new ATOM 0 HB3 TRP A 9 11.109 -9.362 -0.432 1.00 0.00 H new ATOM 0 HD1 TRP A 9 9.415 -10.438 -2.549 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.791 -9.213 -4.104 1.00 0.00 H new ATOM 0 HE3 TRP A 9 8.959 -6.120 0.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.592 -6.566 -4.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 7.607 -4.234 -0.759 1.00 0.00 H new ATOM 0 HH2 TRP A 9 6.432 -4.448 -2.938 1.00 0.00 H new ATOM 131 N ASP A 10 7.402 -10.345 1.736 1.00 0.00 N ATOM 132 CA ASP A 10 5.928 -10.304 1.902 1.00 0.00 C ATOM 133 C ASP A 10 5.465 -8.875 2.126 1.00 0.00 C ATOM 134 O ASP A 10 5.861 -8.246 3.088 1.00 0.00 O ATOM 135 CB ASP A 10 5.517 -11.263 3.064 1.00 0.00 C ATOM 136 CG ASP A 10 4.006 -11.614 3.104 1.00 0.00 C ATOM 137 OD1 ASP A 10 3.185 -10.790 2.733 1.00 0.00 O ATOM 138 OD2 ASP A 10 3.705 -12.740 3.458 1.00 0.00 O ATOM 0 H ASP A 10 7.944 -10.321 2.600 1.00 0.00 H new ATOM 0 HA ASP A 10 5.433 -10.652 0.995 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.089 -12.186 2.976 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.796 -10.804 4.013 1.00 0.00 H new ATOM 143 N PHE A 11 4.591 -8.365 1.325 1.00 0.00 N ATOM 144 CA PHE A 11 4.121 -6.973 1.614 1.00 0.00 C ATOM 145 C PHE A 11 2.587 -6.980 1.453 1.00 0.00 C ATOM 146 O PHE A 11 2.089 -6.346 0.581 1.00 0.00 O ATOM 147 CB PHE A 11 4.718 -5.982 0.573 1.00 0.00 C ATOM 148 CG PHE A 11 5.199 -4.676 1.196 1.00 0.00 C ATOM 149 CD1 PHE A 11 4.281 -3.618 1.362 1.00 0.00 C ATOM 150 CD2 PHE A 11 6.554 -4.478 1.560 1.00 0.00 C ATOM 151 CE1 PHE A 11 4.703 -2.385 1.889 1.00 0.00 C ATOM 152 CE2 PHE A 11 6.971 -3.235 2.076 1.00 0.00 C ATOM 153 CZ PHE A 11 6.045 -2.193 2.243 1.00 0.00 C ATOM 0 H PHE A 11 4.186 -8.821 0.508 1.00 0.00 H new ATOM 0 HA PHE A 11 4.428 -6.665 2.614 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.552 -6.462 0.061 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.964 -5.761 -0.183 1.00 0.00 H new ATOM 0 HD1 PHE A 11 3.247 -3.756 1.082 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.267 -5.280 1.442 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.991 -1.584 2.021 1.00 0.00 H new ATOM 0 HE2 PHE A 11 8.006 -3.083 2.344 1.00 0.00 H new ATOM 0 HZ PHE A 11 6.367 -1.243 2.644 1.00 0.00 H new ATOM 163 N GLY A 12 1.811 -7.612 2.304 1.00 0.00 N ATOM 164 CA GLY A 12 0.322 -7.535 2.073 1.00 0.00 C ATOM 165 C GLY A 12 -0.158 -6.085 1.933 1.00 0.00 C ATOM 166 O GLY A 12 -0.811 -5.714 0.967 1.00 0.00 O ATOM 0 H GLY A 12 2.118 -8.154 3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.065 -8.092 1.172 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.200 -8.012 2.903 1.00 0.00 H new ATOM 170 N PRO A 13 0.223 -5.248 2.859 1.00 0.00 N ATOM 171 CA PRO A 13 -0.164 -3.820 2.855 1.00 0.00 C ATOM 172 C PRO A 13 -0.190 -3.250 1.440 1.00 0.00 C ATOM 173 O PRO A 13 -1.160 -2.649 1.021 1.00 0.00 O ATOM 174 CB PRO A 13 0.915 -3.145 3.711 1.00 0.00 C ATOM 175 CG PRO A 13 1.306 -4.177 4.716 1.00 0.00 C ATOM 176 CD PRO A 13 1.084 -5.548 4.057 1.00 0.00 C ATOM 0 HA PRO A 13 -1.170 -3.659 3.244 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.768 -2.841 3.104 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.531 -2.247 4.195 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.348 -4.054 5.010 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.706 -4.082 5.621 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.028 -6.006 3.764 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.591 -6.242 4.738 1.00 0.00 H new ATOM 184 N GLN A 14 0.868 -3.422 0.695 1.00 0.00 N ATOM 185 CA GLN A 14 0.867 -2.879 -0.681 1.00 0.00 C ATOM 186 C GLN A 14 -0.344 -3.420 -1.438 1.00 0.00 C ATOM 187 O GLN A 14 -0.945 -2.697 -2.175 1.00 0.00 O ATOM 188 CB GLN A 14 2.180 -3.225 -1.423 1.00 0.00 C ATOM 189 CG GLN A 14 3.246 -2.130 -1.193 1.00 0.00 C ATOM 190 CD GLN A 14 4.643 -2.671 -1.503 1.00 0.00 C ATOM 191 OE1 GLN A 14 4.917 -3.831 -1.280 1.00 0.00 O ATOM 192 NE2 GLN A 14 5.541 -1.866 -1.999 1.00 0.00 N ATOM 0 H GLN A 14 1.718 -3.908 0.979 1.00 0.00 H new ATOM 0 HA GLN A 14 0.802 -1.792 -0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.558 -4.186 -1.074 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.983 -3.329 -2.490 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.034 -1.269 -1.826 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.204 -1.784 -0.160 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.305 -0.891 -2.185 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.479 -2.211 -2.201 1.00 0.00 H new ATOM 201 N ALA A 15 -0.722 -4.663 -1.276 1.00 0.00 N ATOM 202 CA ALA A 15 -1.910 -5.127 -2.045 1.00 0.00 C ATOM 203 C ALA A 15 -3.115 -4.369 -1.535 1.00 0.00 C ATOM 204 O ALA A 15 -3.961 -3.954 -2.299 1.00 0.00 O ATOM 205 CB ALA A 15 -2.119 -6.642 -1.931 1.00 0.00 C ATOM 0 H ALA A 15 -0.278 -5.352 -0.669 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.755 -4.927 -3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.997 -6.933 -2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.242 -7.160 -2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.267 -6.911 -0.885 1.00 0.00 H new ATOM 211 N PHE A 16 -3.177 -4.105 -0.257 1.00 0.00 N ATOM 212 CA PHE A 16 -4.332 -3.348 0.255 1.00 0.00 C ATOM 213 C PHE A 16 -4.234 -2.005 -0.442 1.00 0.00 C ATOM 214 O PHE A 16 -5.171 -1.502 -0.993 1.00 0.00 O ATOM 215 CB PHE A 16 -4.226 -3.198 1.790 1.00 0.00 C ATOM 216 CG PHE A 16 -4.934 -4.344 2.499 1.00 0.00 C ATOM 217 CD1 PHE A 16 -6.314 -4.540 2.310 1.00 0.00 C ATOM 218 CD2 PHE A 16 -4.209 -5.210 3.345 1.00 0.00 C ATOM 219 CE1 PHE A 16 -6.970 -5.600 2.969 1.00 0.00 C ATOM 220 CE2 PHE A 16 -4.869 -6.268 4.001 1.00 0.00 C ATOM 221 CZ PHE A 16 -6.247 -6.462 3.812 1.00 0.00 C ATOM 0 H PHE A 16 -2.483 -4.380 0.438 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.287 -3.836 0.062 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.177 -3.175 2.085 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.664 -2.249 2.098 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.870 -3.880 1.661 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.149 -5.062 3.490 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.030 -5.750 2.826 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.315 -6.930 4.650 1.00 0.00 H new ATOM 0 HZ PHE A 16 -6.752 -7.274 4.315 1.00 0.00 H new ATOM 231 N LYS A 17 -3.069 -1.453 -0.483 1.00 0.00 N ATOM 232 CA LYS A 17 -2.918 -0.140 -1.145 1.00 0.00 C ATOM 233 C LYS A 17 -3.376 -0.234 -2.611 1.00 0.00 C ATOM 234 O LYS A 17 -4.137 0.598 -3.054 1.00 0.00 O ATOM 235 CB LYS A 17 -1.457 0.324 -1.009 1.00 0.00 C ATOM 236 CG LYS A 17 -1.054 0.588 0.467 1.00 0.00 C ATOM 237 CD LYS A 17 0.411 1.072 0.644 1.00 0.00 C ATOM 238 CE LYS A 17 0.759 1.189 2.153 1.00 0.00 C ATOM 239 NZ LYS A 17 -0.122 2.192 2.814 1.00 0.00 N ATOM 0 H LYS A 17 -2.215 -1.849 -0.089 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.551 0.606 -0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.797 -0.433 -1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.312 1.234 -1.591 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.726 1.335 0.888 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.195 -0.328 1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.093 0.374 0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.544 2.038 0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.642 0.219 2.636 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.803 1.479 2.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.229 2.384 3.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.120 3.073 2.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.092 1.820 2.868 1.00 0.00 H new ATOM 253 N LEU A 18 -2.981 -1.230 -3.383 1.00 0.00 N ATOM 254 CA LEU A 18 -3.455 -1.249 -4.796 1.00 0.00 C ATOM 255 C LEU A 18 -4.896 -1.736 -4.744 1.00 0.00 C ATOM 256 O LEU A 18 -5.777 -1.121 -5.290 1.00 0.00 O ATOM 257 CB LEU A 18 -2.605 -2.213 -5.679 1.00 0.00 C ATOM 258 CG LEU A 18 -3.043 -2.199 -7.158 1.00 0.00 C ATOM 259 CD1 LEU A 18 -2.710 -0.850 -7.816 1.00 0.00 C ATOM 260 CD2 LEU A 18 -2.383 -3.350 -7.932 1.00 0.00 C ATOM 0 H LEU A 18 -2.374 -2.000 -3.102 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.365 -0.258 -5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.554 -1.931 -5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.688 -3.227 -5.288 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.124 -2.337 -7.189 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.028 -0.865 -8.858 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.230 -0.050 -7.289 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.635 -0.677 -7.768 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.706 -3.321 -8.973 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.299 -3.245 -7.885 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.675 -4.302 -7.488 1.00 0.00 H new ATOM 272 N LEU A 19 -5.140 -2.820 -4.066 1.00 0.00 N ATOM 273 CA LEU A 19 -6.517 -3.348 -4.016 1.00 0.00 C ATOM 274 C LEU A 19 -7.503 -2.326 -3.367 1.00 0.00 C ATOM 275 O LEU A 19 -8.597 -2.132 -3.903 1.00 0.00 O ATOM 276 CB LEU A 19 -6.507 -4.732 -3.325 1.00 0.00 C ATOM 277 CG LEU A 19 -5.598 -5.762 -4.031 1.00 0.00 C ATOM 278 CD1 LEU A 19 -5.595 -7.151 -3.326 1.00 0.00 C ATOM 279 CD2 LEU A 19 -6.117 -5.956 -5.465 1.00 0.00 C ATOM 0 H LEU A 19 -4.445 -3.357 -3.548 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.894 -3.492 -5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.176 -4.613 -2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.525 -5.120 -3.290 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.579 -5.375 -4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.939 -7.832 -3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.237 -7.039 -2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.607 -7.555 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.490 -6.680 -5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.144 -6.321 -5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.086 -5.004 -5.995 1.00 0.00 H new ATOM 291 N SER A 20 -7.236 -1.681 -2.225 1.00 0.00 N ATOM 292 CA SER A 20 -8.351 -0.770 -1.730 1.00 0.00 C ATOM 293 C SER A 20 -8.452 0.510 -2.610 1.00 0.00 C ATOM 294 O SER A 20 -9.529 1.086 -2.769 1.00 0.00 O ATOM 295 CB SER A 20 -8.198 -0.401 -0.243 1.00 0.00 C ATOM 296 OG SER A 20 -9.475 -0.090 0.300 1.00 0.00 O ATOM 0 H SER A 20 -6.385 -1.735 -1.666 1.00 0.00 H new ATOM 0 HA SER A 20 -9.280 -1.332 -1.821 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.750 -1.230 0.305 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.527 0.452 -0.136 1.00 0.00 H new ATOM 0 HG SER A 20 -9.380 0.144 1.247 1.00 0.00 H new ATOM 302 N ALA A 21 -7.374 0.989 -3.181 1.00 0.00 N ATOM 303 CA ALA A 21 -7.499 2.241 -3.999 1.00 0.00 C ATOM 304 C ALA A 21 -8.293 1.984 -5.293 1.00 0.00 C ATOM 305 O ALA A 21 -9.167 2.755 -5.636 1.00 0.00 O ATOM 306 CB ALA A 21 -6.122 2.822 -4.344 1.00 0.00 C ATOM 0 H ALA A 21 -6.439 0.585 -3.122 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.041 2.966 -3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.248 3.728 -4.937 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.587 3.061 -3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.551 2.090 -4.916 1.00 0.00 H new ATOM 312 N VAL A 22 -8.026 0.918 -6.014 1.00 0.00 N ATOM 313 CA VAL A 22 -8.808 0.667 -7.275 1.00 0.00 C ATOM 314 C VAL A 22 -10.272 0.502 -6.877 1.00 0.00 C ATOM 315 O VAL A 22 -11.172 0.882 -7.588 1.00 0.00 O ATOM 316 CB VAL A 22 -8.236 -0.606 -7.985 1.00 0.00 C ATOM 317 CG1 VAL A 22 -6.775 -0.441 -8.421 1.00 0.00 C ATOM 318 CG2 VAL A 22 -8.354 -1.861 -7.083 1.00 0.00 C ATOM 0 H VAL A 22 -7.315 0.221 -5.792 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.727 1.493 -7.982 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.845 -0.738 -8.879 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.435 -1.356 -8.907 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.696 0.392 -9.119 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.155 -0.242 -7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.947 -2.726 -7.608 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.795 -1.700 -6.161 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.402 -2.041 -6.845 1.00 0.00 H new ATOM 328 N ASP A 23 -10.483 -0.035 -5.730 1.00 0.00 N ATOM 329 CA ASP A 23 -11.861 -0.237 -5.226 1.00 0.00 C ATOM 330 C ASP A 23 -12.571 1.115 -5.162 1.00 0.00 C ATOM 331 O ASP A 23 -13.675 1.261 -5.648 1.00 0.00 O ATOM 332 CB ASP A 23 -11.812 -0.861 -3.828 1.00 0.00 C ATOM 333 CG ASP A 23 -13.198 -1.392 -3.455 1.00 0.00 C ATOM 334 OD1 ASP A 23 -13.909 -1.822 -4.349 1.00 0.00 O ATOM 335 OD2 ASP A 23 -13.524 -1.357 -2.280 1.00 0.00 O ATOM 0 H ASP A 23 -9.747 -0.353 -5.100 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.403 -0.905 -5.895 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.083 -1.671 -3.805 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.487 -0.119 -3.099 1.00 0.00 H new ATOM 340 N ILE A 24 -11.955 2.132 -4.591 1.00 0.00 N ATOM 341 CA ILE A 24 -12.666 3.450 -4.550 1.00 0.00 C ATOM 342 C ILE A 24 -12.923 3.883 -6.006 1.00 0.00 C ATOM 343 O ILE A 24 -13.995 4.323 -6.363 1.00 0.00 O ATOM 344 CB ILE A 24 -11.829 4.498 -3.750 1.00 0.00 C ATOM 345 CG1 ILE A 24 -11.461 3.928 -2.367 1.00 0.00 C ATOM 346 CG2 ILE A 24 -12.599 5.818 -3.545 1.00 0.00 C ATOM 347 CD1 ILE A 24 -12.727 3.468 -1.631 1.00 0.00 C ATOM 0 H ILE A 24 -11.027 2.108 -4.168 1.00 0.00 H new ATOM 0 HA ILE A 24 -13.620 3.368 -4.030 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.932 4.706 -4.334 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.773 3.090 -2.482 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.944 4.686 -1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -11.979 6.517 -2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.846 6.249 -4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -13.517 5.622 -2.991 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.455 3.067 -0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.400 4.315 -1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -13.226 2.695 -2.215 1.00 0.00 H new ATOM 359 N LEU A 25 -11.934 3.711 -6.845 1.00 0.00 N ATOM 360 CA LEU A 25 -12.066 4.072 -8.287 1.00 0.00 C ATOM 361 C LEU A 25 -12.959 3.023 -8.934 1.00 0.00 C ATOM 362 O LEU A 25 -13.278 3.087 -10.103 1.00 0.00 O ATOM 363 CB LEU A 25 -10.668 4.080 -8.930 1.00 0.00 C ATOM 364 CG LEU A 25 -9.773 5.138 -8.245 1.00 0.00 C ATOM 365 CD1 LEU A 25 -8.367 5.121 -8.854 1.00 0.00 C ATOM 366 CD2 LEU A 25 -10.382 6.536 -8.433 1.00 0.00 C ATOM 0 H LEU A 25 -11.025 3.329 -6.586 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.504 5.061 -8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.212 3.094 -8.840 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.750 4.297 -9.995 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.709 4.902 -7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.748 5.871 -8.362 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.922 4.136 -8.715 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.429 5.344 -9.919 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.747 7.278 -7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.455 6.761 -9.497 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.376 6.563 -7.987 1.00 0.00 H new ATOM 378 N GLY A 26 -13.356 2.041 -8.155 1.00 0.00 N ATOM 379 CA GLY A 26 -14.240 0.955 -8.667 1.00 0.00 C ATOM 380 C GLY A 26 -13.586 0.273 -9.871 1.00 0.00 C ATOM 381 O GLY A 26 -14.263 -0.233 -10.733 1.00 0.00 O ATOM 0 H GLY A 26 -13.098 1.950 -7.172 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.425 0.224 -7.880 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.208 1.367 -8.953 1.00 0.00 H new ATOM 385 N GLU A 27 -12.269 0.263 -9.898 1.00 0.00 N ATOM 386 CA GLU A 27 -11.479 -0.380 -11.013 1.00 0.00 C ATOM 387 C GLU A 27 -11.860 0.161 -12.416 1.00 0.00 C ATOM 388 O GLU A 27 -11.318 -0.297 -13.401 1.00 0.00 O ATOM 389 CB GLU A 27 -11.667 -1.911 -11.045 1.00 0.00 C ATOM 390 CG GLU A 27 -11.094 -2.612 -9.789 1.00 0.00 C ATOM 391 CD GLU A 27 -11.512 -4.091 -9.782 1.00 0.00 C ATOM 392 OE1 GLU A 27 -11.202 -4.787 -10.738 1.00 0.00 O ATOM 393 OE2 GLU A 27 -12.130 -4.500 -8.817 1.00 0.00 O ATOM 0 H GLU A 27 -11.690 0.686 -9.173 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.442 -0.126 -10.795 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.729 -2.140 -11.131 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.181 -2.314 -11.934 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.007 -2.532 -9.781 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.457 -2.118 -8.888 1.00 0.00 H new ATOM 400 N LYS A 28 -12.743 1.132 -12.555 1.00 0.00 N ATOM 401 CA LYS A 28 -13.065 1.613 -13.954 1.00 0.00 C ATOM 402 C LYS A 28 -11.975 2.597 -14.390 1.00 0.00 C ATOM 403 O LYS A 28 -12.198 3.582 -15.059 1.00 0.00 O ATOM 404 CB LYS A 28 -14.496 2.233 -14.016 1.00 0.00 C ATOM 405 CG LYS A 28 -15.617 1.263 -13.563 1.00 0.00 C ATOM 406 CD LYS A 28 -15.808 0.075 -14.564 1.00 0.00 C ATOM 407 CE LYS A 28 -16.987 -0.807 -14.131 1.00 0.00 C ATOM 408 NZ LYS A 28 -18.267 -0.076 -14.360 1.00 0.00 N ATOM 0 H LYS A 28 -13.239 1.599 -11.796 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.074 0.775 -14.650 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.524 3.124 -13.389 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.698 2.556 -15.037 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.378 0.869 -12.575 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.554 1.811 -13.469 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.985 0.462 -15.568 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.897 -0.521 -14.608 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.983 -1.740 -14.695 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.890 -1.071 -13.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -19.062 -0.745 -14.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.385 0.655 -13.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.248 0.372 -15.298 1.00 0.00 H new ATOM 422 N PHE A 29 -10.763 2.318 -14.057 1.00 0.00 N ATOM 423 CA PHE A 29 -9.680 3.251 -14.473 1.00 0.00 C ATOM 424 C PHE A 29 -8.420 2.461 -14.808 1.00 0.00 C ATOM 425 O PHE A 29 -8.202 1.354 -14.335 1.00 0.00 O ATOM 426 CB PHE A 29 -9.375 4.233 -13.351 1.00 0.00 C ATOM 427 CG PHE A 29 -10.578 5.107 -13.134 1.00 0.00 C ATOM 428 CD1 PHE A 29 -11.668 4.625 -12.403 1.00 0.00 C ATOM 429 CD2 PHE A 29 -10.598 6.395 -13.664 1.00 0.00 C ATOM 430 CE1 PHE A 29 -12.790 5.441 -12.209 1.00 0.00 C ATOM 431 CE2 PHE A 29 -11.725 7.218 -13.472 1.00 0.00 C ATOM 432 CZ PHE A 29 -12.825 6.736 -12.746 1.00 0.00 C ATOM 0 H PHE A 29 -10.467 1.501 -13.523 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.011 3.803 -15.353 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.129 3.696 -12.435 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.507 4.841 -13.607 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -11.645 3.628 -11.990 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.750 6.763 -14.222 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.632 5.071 -11.643 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.742 8.217 -13.882 1.00 0.00 H new ATOM 0 HZ PHE A 29 -13.695 7.360 -12.601 1.00 0.00 H new ATOM 442 N GLY A 30 -7.607 3.060 -15.641 1.00 0.00 N ATOM 443 CA GLY A 30 -6.328 2.449 -16.095 1.00 0.00 C ATOM 444 C GLY A 30 -5.281 2.549 -14.971 1.00 0.00 C ATOM 445 O GLY A 30 -5.545 3.053 -13.898 1.00 0.00 O ATOM 0 H GLY A 30 -7.788 3.982 -16.037 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.488 1.405 -16.365 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.967 2.958 -16.989 1.00 0.00 H new ATOM 449 N ILE A 31 -4.097 2.044 -15.221 1.00 0.00 N ATOM 450 CA ILE A 31 -2.994 2.079 -14.187 1.00 0.00 C ATOM 451 C ILE A 31 -2.461 3.511 -13.932 1.00 0.00 C ATOM 452 O ILE A 31 -1.973 3.836 -12.842 1.00 0.00 O ATOM 453 CB ILE A 31 -1.844 1.196 -14.685 1.00 0.00 C ATOM 454 CG1 ILE A 31 -0.784 1.087 -13.581 1.00 0.00 C ATOM 455 CG2 ILE A 31 -1.223 1.822 -15.935 1.00 0.00 C ATOM 456 CD1 ILE A 31 0.244 0.010 -13.944 1.00 0.00 C ATOM 0 H ILE A 31 -3.838 1.603 -16.103 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.402 1.715 -13.244 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.220 0.203 -14.932 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.285 2.047 -13.449 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.260 0.841 -12.632 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.405 1.194 -16.289 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.980 1.905 -16.715 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.840 2.814 -15.694 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.992 -0.060 -13.154 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.259 -0.951 -14.053 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.731 0.274 -14.883 1.00 0.00 H new ATOM 468 N GLY A 32 -2.497 4.336 -14.942 1.00 0.00 N ATOM 469 CA GLY A 32 -1.966 5.738 -14.841 1.00 0.00 C ATOM 470 C GLY A 32 -2.619 6.572 -13.726 1.00 0.00 C ATOM 471 O GLY A 32 -1.958 7.342 -13.057 1.00 0.00 O ATOM 0 H GLY A 32 -2.880 4.097 -15.857 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.890 5.697 -14.669 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.117 6.243 -15.795 1.00 0.00 H new ATOM 475 N LEU A 33 -3.916 6.478 -13.559 1.00 0.00 N ATOM 476 CA LEU A 33 -4.596 7.299 -12.505 1.00 0.00 C ATOM 477 C LEU A 33 -4.200 6.821 -11.085 1.00 0.00 C ATOM 478 O LEU A 33 -3.751 7.620 -10.292 1.00 0.00 O ATOM 479 CB LEU A 33 -6.133 7.263 -12.709 1.00 0.00 C ATOM 480 CG LEU A 33 -6.887 7.645 -11.405 1.00 0.00 C ATOM 481 CD1 LEU A 33 -6.507 9.073 -10.970 1.00 0.00 C ATOM 482 CD2 LEU A 33 -8.394 7.583 -11.678 1.00 0.00 C ATOM 0 H LEU A 33 -4.531 5.873 -14.103 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.265 8.333 -12.601 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.412 7.951 -13.507 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.436 6.266 -13.027 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.615 6.951 -10.609 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.042 9.329 -10.055 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.433 9.125 -10.789 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.777 9.777 -11.757 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.939 7.849 -10.772 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.649 8.283 -12.473 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.667 6.573 -11.983 1.00 0.00 H new ATOM 494 N PRO A 34 -4.347 5.559 -10.737 1.00 0.00 N ATOM 495 CA PRO A 34 -3.991 5.053 -9.368 1.00 0.00 C ATOM 496 C PRO A 34 -2.482 5.092 -9.060 1.00 0.00 C ATOM 497 O PRO A 34 -2.093 5.327 -7.935 1.00 0.00 O ATOM 498 CB PRO A 34 -4.489 3.614 -9.418 1.00 0.00 C ATOM 499 CG PRO A 34 -4.420 3.259 -10.869 1.00 0.00 C ATOM 500 CD PRO A 34 -4.850 4.518 -11.643 1.00 0.00 C ATOM 0 HA PRO A 34 -4.430 5.668 -8.582 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.865 2.954 -8.815 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.506 3.530 -9.034 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.410 2.957 -11.148 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.078 2.420 -11.096 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.398 4.573 -12.633 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.930 4.573 -11.782 1.00 0.00 H new ATOM 508 N ILE A 35 -1.610 4.900 -10.012 1.00 0.00 N ATOM 509 CA ILE A 35 -0.140 4.976 -9.653 1.00 0.00 C ATOM 510 C ILE A 35 0.170 6.418 -9.202 1.00 0.00 C ATOM 511 O ILE A 35 0.784 6.634 -8.179 1.00 0.00 O ATOM 512 CB ILE A 35 0.676 4.573 -10.874 1.00 0.00 C ATOM 513 CG1 ILE A 35 2.164 4.448 -10.515 1.00 0.00 C ATOM 514 CG2 ILE A 35 0.481 5.575 -12.012 1.00 0.00 C ATOM 515 CD1 ILE A 35 2.934 3.745 -11.647 1.00 0.00 C ATOM 0 H ILE A 35 -1.825 4.701 -10.989 1.00 0.00 H new ATOM 0 HA ILE A 35 0.115 4.299 -8.838 1.00 0.00 H new ATOM 0 HB ILE A 35 0.321 3.599 -11.212 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.586 5.437 -10.340 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.275 3.885 -9.588 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.073 5.267 -12.874 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.572 5.610 -12.290 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.803 6.564 -11.685 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.987 3.665 -11.376 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.522 2.748 -11.802 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.839 4.324 -12.566 1.00 0.00 H new ATOM 527 N LEU A 36 -0.297 7.400 -9.937 1.00 0.00 N ATOM 528 CA LEU A 36 -0.084 8.824 -9.524 1.00 0.00 C ATOM 529 C LEU A 36 -0.721 9.097 -8.141 1.00 0.00 C ATOM 530 O LEU A 36 -0.115 9.730 -7.286 1.00 0.00 O ATOM 531 CB LEU A 36 -0.693 9.780 -10.562 1.00 0.00 C ATOM 532 CG LEU A 36 0.100 9.719 -11.874 1.00 0.00 C ATOM 533 CD1 LEU A 36 -0.677 10.449 -12.983 1.00 0.00 C ATOM 534 CD2 LEU A 36 1.469 10.389 -11.691 1.00 0.00 C ATOM 0 H LEU A 36 -0.817 7.276 -10.806 1.00 0.00 H new ATOM 0 HA LEU A 36 0.990 8.996 -9.459 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.734 9.513 -10.746 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.689 10.799 -10.174 1.00 0.00 H new ATOM 0 HG LEU A 36 0.243 8.675 -12.152 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.111 10.404 -13.914 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.646 9.970 -13.124 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.825 11.491 -12.698 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.025 10.341 -12.627 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.329 11.431 -11.405 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.026 9.871 -10.911 1.00 0.00 H new ATOM 546 N PHE A 37 -1.939 8.641 -7.916 1.00 0.00 N ATOM 547 CA PHE A 37 -2.595 8.855 -6.576 1.00 0.00 C ATOM 548 C PHE A 37 -1.872 7.992 -5.553 1.00 0.00 C ATOM 549 O PHE A 37 -1.923 8.809 -4.640 1.00 0.00 O ATOM 550 CB PHE A 37 -4.068 8.335 -6.576 1.00 0.00 C ATOM 551 CG PHE A 37 -4.906 8.758 -5.386 1.00 0.00 C ATOM 552 CD1 PHE A 37 -4.856 8.000 -4.191 1.00 0.00 C ATOM 553 CD2 PHE A 37 -5.820 9.813 -5.494 1.00 0.00 C ATOM 554 CE1 PHE A 37 -5.701 8.316 -3.117 1.00 0.00 C ATOM 555 CE2 PHE A 37 -6.686 10.120 -4.431 1.00 0.00 C ATOM 556 CZ PHE A 37 -6.625 9.372 -3.238 1.00 0.00 C ATOM 0 H PHE A 37 -2.503 8.133 -8.597 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.562 9.922 -6.354 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.558 8.682 -7.486 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.051 7.246 -6.618 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.164 7.175 -4.106 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.860 10.396 -6.402 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.643 7.750 -2.199 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.397 10.927 -4.528 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.286 9.608 -2.417 1.00 0.00 H new ATOM 566 N LEU A 38 -1.318 6.850 -5.404 1.00 0.00 N ATOM 567 CA LEU A 38 -0.747 6.469 -4.160 1.00 0.00 C ATOM 568 C LEU A 38 0.364 7.461 -3.790 1.00 0.00 C ATOM 569 O LEU A 38 0.458 7.828 -2.652 1.00 0.00 O ATOM 570 CB LEU A 38 -0.301 5.024 -4.401 1.00 0.00 C ATOM 571 CG LEU A 38 -1.582 4.119 -4.591 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.209 2.723 -5.158 1.00 0.00 C ATOM 573 CD2 LEU A 38 -2.335 3.937 -3.248 1.00 0.00 C ATOM 0 H LEU A 38 -1.245 6.147 -6.140 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.414 6.501 -3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.335 4.968 -5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.292 4.667 -3.559 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.231 4.628 -5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.113 2.125 -5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.723 2.842 -6.126 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.529 2.220 -4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.213 3.310 -3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.675 3.462 -2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.647 4.911 -2.871 1.00 0.00 H new ATOM 585 N ARG A 39 1.182 7.921 -4.707 1.00 0.00 N ATOM 586 CA ARG A 39 2.280 8.879 -4.340 1.00 0.00 C ATOM 587 C ARG A 39 1.781 10.277 -3.860 1.00 0.00 C ATOM 588 O ARG A 39 2.569 11.092 -3.436 1.00 0.00 O ATOM 589 CB ARG A 39 3.180 9.072 -5.573 1.00 0.00 C ATOM 590 CG ARG A 39 3.753 7.724 -6.041 1.00 0.00 C ATOM 591 CD ARG A 39 4.916 7.940 -7.016 1.00 0.00 C ATOM 592 NE ARG A 39 6.076 8.502 -6.270 1.00 0.00 N ATOM 593 CZ ARG A 39 7.276 8.413 -6.766 1.00 0.00 C ATOM 594 NH1 ARG A 39 7.461 7.813 -7.911 1.00 0.00 N ATOM 595 NH2 ARG A 39 8.292 8.915 -6.120 1.00 0.00 N ATOM 0 H ARG A 39 1.138 7.675 -5.696 1.00 0.00 H new ATOM 0 HA ARG A 39 2.812 8.440 -3.496 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.608 9.530 -6.380 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.994 9.756 -5.332 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.095 7.150 -5.180 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.971 7.138 -6.524 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.193 6.997 -7.487 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.617 8.619 -7.814 1.00 0.00 H new ATOM 0 HE ARG A 39 5.930 8.957 -5.369 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.667 7.416 -8.413 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.400 7.741 -8.303 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.147 9.379 -5.223 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.231 8.843 -6.512 1.00 0.00 H new ATOM 609 N GLY A 40 0.497 10.535 -3.849 1.00 0.00 N ATOM 610 CA GLY A 40 -0.018 11.851 -3.354 1.00 0.00 C ATOM 611 C GLY A 40 0.334 12.928 -4.348 1.00 0.00 C ATOM 612 O GLY A 40 1.132 13.800 -4.082 1.00 0.00 O ATOM 0 H GLY A 40 -0.223 9.885 -4.164 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.098 11.804 -3.218 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.416 12.082 -2.381 1.00 0.00 H new ATOM 616 N SER A 41 -0.260 12.867 -5.508 1.00 0.00 N ATOM 617 CA SER A 41 0.042 13.906 -6.564 1.00 0.00 C ATOM 618 C SER A 41 -0.582 15.303 -6.258 1.00 0.00 C ATOM 619 O SER A 41 -1.460 15.461 -5.406 1.00 0.00 O ATOM 620 CB SER A 41 -0.230 13.405 -7.964 1.00 0.00 C ATOM 621 OG SER A 41 -1.615 13.541 -8.248 1.00 0.00 O ATOM 0 H SER A 41 -0.937 12.154 -5.780 1.00 0.00 H new ATOM 0 HA SER A 41 1.118 14.076 -6.520 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.359 13.971 -8.686 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.071 12.361 -8.055 1.00 0.00 H new ATOM 0 HG SER A 41 -1.796 13.219 -9.156 1.00 0.00 H new ATOM 627 N ASN A 42 -0.115 16.316 -6.945 1.00 0.00 N ATOM 628 CA ASN A 42 -0.652 17.711 -6.753 1.00 0.00 C ATOM 629 C ASN A 42 -1.987 17.725 -7.502 1.00 0.00 C ATOM 630 O ASN A 42 -2.052 17.830 -8.709 1.00 0.00 O ATOM 631 CB ASN A 42 0.261 18.803 -7.316 1.00 0.00 C ATOM 632 CG ASN A 42 -0.318 20.176 -6.954 1.00 0.00 C ATOM 633 OD1 ASN A 42 -1.093 20.293 -6.026 1.00 0.00 O ATOM 634 ND2 ASN A 42 0.040 21.227 -7.639 1.00 0.00 N ATOM 0 H ASN A 42 0.626 16.240 -7.642 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.739 17.931 -5.689 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.267 18.700 -6.908 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.344 18.703 -8.398 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.331 22.145 -7.395 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.691 21.130 -8.419 1.00 0.00 H new ATOM 641 N SER A 43 -3.055 17.617 -6.746 1.00 0.00 N ATOM 642 CA SER A 43 -4.438 17.615 -7.314 1.00 0.00 C ATOM 643 C SER A 43 -5.463 17.995 -6.242 1.00 0.00 C ATOM 644 O SER A 43 -5.870 17.187 -5.443 1.00 0.00 O ATOM 645 CB SER A 43 -4.762 16.222 -7.851 1.00 0.00 C ATOM 646 OG SER A 43 -6.088 16.218 -8.359 1.00 0.00 O ATOM 0 H SER A 43 -3.021 17.528 -5.730 1.00 0.00 H new ATOM 0 HA SER A 43 -4.486 18.347 -8.120 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.057 15.948 -8.636 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.660 15.480 -7.059 1.00 0.00 H new ATOM 0 HG SER A 43 -6.119 15.695 -9.187 1.00 0.00 H new ATOM 652 N GLN A 44 -5.863 19.238 -6.206 1.00 0.00 N ATOM 653 CA GLN A 44 -6.848 19.676 -5.175 1.00 0.00 C ATOM 654 C GLN A 44 -8.254 19.110 -5.456 1.00 0.00 C ATOM 655 O GLN A 44 -8.985 18.789 -4.542 1.00 0.00 O ATOM 656 CB GLN A 44 -6.916 21.206 -5.169 1.00 0.00 C ATOM 657 CG GLN A 44 -7.723 21.675 -3.957 1.00 0.00 C ATOM 658 CD GLN A 44 -6.952 21.364 -2.674 1.00 0.00 C ATOM 659 OE1 GLN A 44 -5.855 21.846 -2.483 1.00 0.00 O ATOM 660 NE2 GLN A 44 -7.481 20.570 -1.784 1.00 0.00 N ATOM 0 H GLN A 44 -5.550 19.969 -6.846 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.518 19.299 -4.207 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.910 21.625 -5.134 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.379 21.564 -6.089 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.914 22.746 -4.027 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.693 21.178 -3.939 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.403 20.165 -1.946 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.972 20.354 -0.927 1.00 0.00 H new ATOM 669 N ARG A 45 -8.657 19.022 -6.699 1.00 0.00 N ATOM 670 CA ARG A 45 -10.035 18.511 -7.008 1.00 0.00 C ATOM 671 C ARG A 45 -10.234 17.076 -6.495 1.00 0.00 C ATOM 672 O ARG A 45 -11.274 16.737 -5.946 1.00 0.00 O ATOM 673 CB ARG A 45 -10.242 18.535 -8.531 1.00 0.00 C ATOM 674 CG ARG A 45 -11.682 18.113 -8.881 1.00 0.00 C ATOM 675 CD ARG A 45 -11.876 18.084 -10.405 1.00 0.00 C ATOM 676 NE ARG A 45 -13.317 17.844 -10.720 1.00 0.00 N ATOM 677 CZ ARG A 45 -13.790 16.629 -10.741 1.00 0.00 C ATOM 678 NH1 ARG A 45 -13.011 15.612 -10.496 1.00 0.00 N ATOM 679 NH2 ARG A 45 -15.054 16.432 -11.013 1.00 0.00 N ATOM 0 H ARG A 45 -8.097 19.280 -7.512 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.760 19.152 -6.507 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.045 19.536 -8.916 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.532 17.863 -9.012 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.891 17.128 -8.463 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -12.391 18.808 -8.431 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.550 19.028 -10.842 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.261 17.299 -10.846 1.00 0.00 H new ATOM 0 HE ARG A 45 -13.932 18.633 -10.919 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.024 15.764 -10.286 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.388 14.665 -10.514 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -15.664 17.226 -11.207 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -15.430 15.484 -11.031 1.00 0.00 H new ATOM 693 N LEU A 46 -9.262 16.226 -6.672 1.00 0.00 N ATOM 694 CA LEU A 46 -9.415 14.816 -6.203 1.00 0.00 C ATOM 695 C LEU A 46 -8.996 14.737 -4.733 1.00 0.00 C ATOM 696 O LEU A 46 -9.139 13.717 -4.080 1.00 0.00 O ATOM 697 CB LEU A 46 -8.513 13.909 -7.060 1.00 0.00 C ATOM 698 CG LEU A 46 -8.920 13.962 -8.545 1.00 0.00 C ATOM 699 CD1 LEU A 46 -7.909 13.165 -9.372 1.00 0.00 C ATOM 700 CD2 LEU A 46 -10.314 13.355 -8.745 1.00 0.00 C ATOM 0 H LEU A 46 -8.371 16.443 -7.119 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.450 14.490 -6.300 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.474 14.220 -6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.577 12.882 -6.699 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.937 15.004 -8.866 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.192 13.199 -10.424 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.916 13.598 -9.249 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.897 12.129 -9.033 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.583 13.402 -9.800 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.309 12.315 -8.418 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.042 13.916 -8.159 1.00 0.00 H new ATOM 712 N ALA A 47 -8.497 15.811 -4.191 1.00 0.00 N ATOM 713 CA ALA A 47 -8.092 15.766 -2.770 1.00 0.00 C ATOM 714 C ALA A 47 -9.281 16.168 -1.903 1.00 0.00 C ATOM 715 O ALA A 47 -9.313 15.858 -0.752 1.00 0.00 O ATOM 716 CB ALA A 47 -6.904 16.703 -2.518 1.00 0.00 C ATOM 0 H ALA A 47 -8.355 16.703 -4.665 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.780 14.753 -2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.620 16.656 -1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.060 16.395 -3.136 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.186 17.725 -2.773 1.00 0.00 H new ATOM 722 N ASP A 48 -10.269 16.849 -2.441 1.00 0.00 N ATOM 723 CA ASP A 48 -11.447 17.238 -1.598 1.00 0.00 C ATOM 724 C ASP A 48 -12.536 16.170 -1.738 1.00 0.00 C ATOM 725 O ASP A 48 -13.180 15.784 -0.784 1.00 0.00 O ATOM 726 CB ASP A 48 -11.999 18.592 -2.043 1.00 0.00 C ATOM 727 CG ASP A 48 -11.016 19.699 -1.657 1.00 0.00 C ATOM 728 OD1 ASP A 48 -10.064 19.399 -0.952 1.00 0.00 O ATOM 729 OD2 ASP A 48 -11.230 20.826 -2.070 1.00 0.00 O ATOM 0 H ASP A 48 -10.311 17.149 -3.415 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.131 17.316 -0.558 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.160 18.594 -3.121 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.967 18.773 -1.576 1.00 0.00 H new ATOM 734 N GLN A 49 -12.715 15.675 -2.932 1.00 0.00 N ATOM 735 CA GLN A 49 -13.751 14.616 -3.159 1.00 0.00 C ATOM 736 C GLN A 49 -13.301 13.305 -2.488 1.00 0.00 C ATOM 737 O GLN A 49 -14.031 12.706 -1.724 1.00 0.00 O ATOM 738 CB GLN A 49 -13.923 14.383 -4.661 1.00 0.00 C ATOM 739 CG GLN A 49 -14.500 15.642 -5.305 1.00 0.00 C ATOM 740 CD GLN A 49 -14.646 15.429 -6.813 1.00 0.00 C ATOM 741 OE1 GLN A 49 -15.210 14.444 -7.246 1.00 0.00 O ATOM 742 NE2 GLN A 49 -14.161 16.318 -7.635 1.00 0.00 N ATOM 0 H GLN A 49 -12.192 15.955 -3.762 1.00 0.00 H new ATOM 0 HA GLN A 49 -14.699 14.939 -2.729 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -12.963 14.136 -5.114 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.585 13.535 -4.836 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -15.470 15.875 -4.865 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.848 16.494 -5.110 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -13.688 17.145 -7.271 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -14.255 16.186 -8.642 1.00 0.00 H new ATOM 751 N TYR A 50 -12.104 12.859 -2.775 1.00 0.00 N ATOM 752 CA TYR A 50 -11.593 11.580 -2.177 1.00 0.00 C ATOM 753 C TYR A 50 -10.760 11.892 -0.923 1.00 0.00 C ATOM 754 O TYR A 50 -9.769 11.257 -0.637 1.00 0.00 O ATOM 755 CB TYR A 50 -10.743 10.857 -3.217 1.00 0.00 C ATOM 756 CG TYR A 50 -11.632 10.491 -4.381 1.00 0.00 C ATOM 757 CD1 TYR A 50 -12.461 9.356 -4.300 1.00 0.00 C ATOM 758 CD2 TYR A 50 -11.649 11.290 -5.538 1.00 0.00 C ATOM 759 CE1 TYR A 50 -13.304 9.020 -5.373 1.00 0.00 C ATOM 760 CE2 TYR A 50 -12.497 10.957 -6.612 1.00 0.00 C ATOM 761 CZ TYR A 50 -13.321 9.822 -6.528 1.00 0.00 C ATOM 762 OH TYR A 50 -14.153 9.491 -7.582 1.00 0.00 O ATOM 0 H TYR A 50 -11.451 13.328 -3.403 1.00 0.00 H new ATOM 0 HA TYR A 50 -12.427 10.941 -1.886 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.925 11.496 -3.550 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -10.294 9.962 -2.786 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -12.449 8.742 -3.411 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.012 12.159 -5.603 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -13.938 8.148 -5.311 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -12.514 11.573 -7.499 1.00 0.00 H new ATOM 0 HH TYR A 50 -14.045 10.147 -8.302 1.00 0.00 H new ATOM 772 N ARG A 51 -11.173 12.897 -0.214 1.00 0.00 N ATOM 773 CA ARG A 51 -10.476 13.373 1.022 1.00 0.00 C ATOM 774 C ARG A 51 -10.410 12.291 2.109 1.00 0.00 C ATOM 775 O ARG A 51 -9.399 12.166 2.773 1.00 0.00 O ATOM 776 CB ARG A 51 -11.239 14.611 1.584 1.00 0.00 C ATOM 777 CG ARG A 51 -12.595 14.199 2.175 1.00 0.00 C ATOM 778 CD ARG A 51 -13.384 15.452 2.569 1.00 0.00 C ATOM 779 NE ARG A 51 -14.671 15.052 3.206 1.00 0.00 N ATOM 780 CZ ARG A 51 -15.525 15.964 3.582 1.00 0.00 C ATOM 781 NH1 ARG A 51 -15.258 17.223 3.391 1.00 0.00 N ATOM 782 NH2 ARG A 51 -16.646 15.608 4.151 1.00 0.00 N ATOM 0 H ARG A 51 -12.005 13.438 -0.447 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.452 13.630 0.750 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.636 15.097 2.351 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.391 15.341 0.789 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.159 13.616 1.447 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.445 13.562 3.047 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.799 16.061 3.258 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.577 16.064 1.688 1.00 0.00 H new ATOM 0 HE ARG A 51 -14.884 14.065 3.348 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.381 17.497 2.947 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -15.925 17.936 3.685 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -16.851 14.620 4.300 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -17.316 16.318 4.446 1.00 0.00 H new ATOM 796 N ARG A 52 -11.450 11.549 2.366 1.00 0.00 N ATOM 797 CA ARG A 52 -11.313 10.538 3.445 1.00 0.00 C ATOM 798 C ARG A 52 -10.239 9.535 3.069 1.00 0.00 C ATOM 799 O ARG A 52 -9.562 8.981 3.913 1.00 0.00 O ATOM 800 CB ARG A 52 -12.651 9.813 3.634 1.00 0.00 C ATOM 801 CG ARG A 52 -13.753 10.815 4.028 1.00 0.00 C ATOM 802 CD ARG A 52 -13.565 11.268 5.480 1.00 0.00 C ATOM 803 NE ARG A 52 -14.776 12.010 5.930 1.00 0.00 N ATOM 804 CZ ARG A 52 -14.742 12.702 7.033 1.00 0.00 C ATOM 805 NH1 ARG A 52 -13.653 12.735 7.749 1.00 0.00 N ATOM 806 NH2 ARG A 52 -15.803 13.358 7.426 1.00 0.00 N ATOM 0 H ARG A 52 -12.354 11.594 1.896 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.033 11.033 4.375 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.928 9.301 2.712 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.552 9.049 4.405 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.723 11.679 3.364 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.733 10.354 3.908 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.395 10.404 6.123 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.684 11.905 5.562 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.631 11.976 5.375 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.827 12.219 7.445 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.627 13.277 8.613 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.657 13.328 6.869 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -15.777 13.900 8.290 1.00 0.00 H new ATOM 820 N HIS A 53 -10.096 9.282 1.801 1.00 0.00 N ATOM 821 CA HIS A 53 -9.093 8.293 1.320 1.00 0.00 C ATOM 822 C HIS A 53 -7.750 8.422 2.044 1.00 0.00 C ATOM 823 O HIS A 53 -6.947 9.279 1.731 1.00 0.00 O ATOM 824 CB HIS A 53 -8.902 8.556 -0.144 1.00 0.00 C ATOM 825 CG HIS A 53 -8.515 7.269 -0.825 1.00 0.00 C ATOM 826 ND1 HIS A 53 -8.988 6.937 -2.088 1.00 0.00 N ATOM 827 CD2 HIS A 53 -7.725 6.220 -0.434 1.00 0.00 C ATOM 828 CE1 HIS A 53 -8.481 5.732 -2.407 1.00 0.00 C ATOM 829 NE2 HIS A 53 -7.707 5.254 -1.432 1.00 0.00 N ATOM 0 H HIS A 53 -10.642 9.727 1.063 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.454 7.284 1.517 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -9.820 8.951 -0.579 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -8.128 9.309 -0.294 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -9.607 7.503 -2.668 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.197 6.154 0.506 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.676 5.217 -3.336 1.00 0.00 H new ATOM 838 N SER A 54 -7.481 7.565 2.995 1.00 0.00 N ATOM 839 CA SER A 54 -6.184 7.642 3.729 1.00 0.00 C ATOM 840 C SER A 54 -5.000 7.254 2.813 1.00 0.00 C ATOM 841 O SER A 54 -3.929 7.818 2.901 1.00 0.00 O ATOM 842 CB SER A 54 -6.224 6.687 4.921 1.00 0.00 C ATOM 843 OG SER A 54 -4.997 6.774 5.636 1.00 0.00 O ATOM 0 H SER A 54 -8.104 6.815 3.295 1.00 0.00 H new ATOM 0 HA SER A 54 -6.040 8.669 4.066 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.058 6.939 5.576 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.386 5.665 4.578 1.00 0.00 H new ATOM 0 HG SER A 54 -5.021 6.163 6.402 1.00 0.00 H new ATOM 849 N LEU A 55 -5.171 6.274 1.962 1.00 0.00 N ATOM 850 CA LEU A 55 -4.043 5.814 1.078 1.00 0.00 C ATOM 851 C LEU A 55 -3.416 7.012 0.323 1.00 0.00 C ATOM 852 O LEU A 55 -2.348 6.908 -0.308 1.00 0.00 O ATOM 853 CB LEU A 55 -4.575 4.854 -0.041 1.00 0.00 C ATOM 854 CG LEU A 55 -5.232 3.537 0.472 1.00 0.00 C ATOM 855 CD1 LEU A 55 -5.454 2.559 -0.698 1.00 0.00 C ATOM 856 CD2 LEU A 55 -4.337 2.874 1.520 1.00 0.00 C ATOM 0 H LEU A 55 -6.047 5.766 1.837 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.320 5.321 1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.305 5.394 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.746 4.595 -0.700 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.193 3.786 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.913 1.644 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.110 3.019 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.496 2.322 -1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.807 1.955 1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.369 2.640 1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.196 3.553 2.361 1.00 0.00 H new ATOM 868 N PHE A 56 -4.050 8.146 0.293 1.00 0.00 N ATOM 869 CA PHE A 56 -3.412 9.202 -0.483 1.00 0.00 C ATOM 870 C PHE A 56 -1.999 9.462 0.051 1.00 0.00 C ATOM 871 O PHE A 56 -1.829 9.756 1.207 1.00 0.00 O ATOM 872 CB PHE A 56 -4.338 10.382 -0.338 1.00 0.00 C ATOM 873 CG PHE A 56 -3.726 11.671 -0.898 1.00 0.00 C ATOM 874 CD1 PHE A 56 -2.855 12.478 -0.123 1.00 0.00 C ATOM 875 CD2 PHE A 56 -3.985 12.042 -2.244 1.00 0.00 C ATOM 876 CE1 PHE A 56 -2.275 13.622 -0.692 1.00 0.00 C ATOM 877 CE2 PHE A 56 -3.385 13.177 -2.794 1.00 0.00 C ATOM 878 CZ PHE A 56 -2.539 13.964 -2.020 1.00 0.00 C ATOM 0 H PHE A 56 -4.934 8.369 0.750 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.272 8.956 -1.536 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.275 10.172 -0.855 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.580 10.524 0.715 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.639 12.213 0.901 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.651 11.442 -2.847 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.620 14.242 -0.099 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.578 13.444 -3.822 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.084 14.845 -2.448 1.00 0.00 H new ATOM 888 N GLY A 57 -1.036 9.438 -0.813 1.00 0.00 N ATOM 889 CA GLY A 57 0.417 9.723 -0.507 1.00 0.00 C ATOM 890 C GLY A 57 1.213 8.706 0.336 1.00 0.00 C ATOM 891 O GLY A 57 2.250 9.093 0.887 1.00 0.00 O ATOM 0 H GLY A 57 -1.195 9.217 -1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.937 9.842 -1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.464 10.684 0.005 1.00 0.00 H new ATOM 895 N THR A 58 0.851 7.457 0.508 1.00 0.00 N ATOM 896 CA THR A 58 1.789 6.682 1.392 1.00 0.00 C ATOM 897 C THR A 58 2.828 6.049 0.420 1.00 0.00 C ATOM 898 O THR A 58 3.832 5.556 0.801 1.00 0.00 O ATOM 899 CB THR A 58 0.901 5.606 2.056 1.00 0.00 C ATOM 900 OG1 THR A 58 -0.314 6.217 2.458 1.00 0.00 O ATOM 901 CG2 THR A 58 1.586 5.009 3.298 1.00 0.00 C ATOM 0 H THR A 58 0.038 6.976 0.124 1.00 0.00 H new ATOM 0 HA THR A 58 2.309 7.257 2.158 1.00 0.00 H new ATOM 0 HB THR A 58 0.724 4.804 1.339 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.892 5.548 2.881 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.938 4.255 3.744 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.530 4.549 3.007 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.776 5.799 4.024 1.00 0.00 H new ATOM 909 N GLY A 59 2.606 6.183 -0.857 1.00 0.00 N ATOM 910 CA GLY A 59 3.516 5.669 -1.945 1.00 0.00 C ATOM 911 C GLY A 59 4.485 6.733 -2.288 1.00 0.00 C ATOM 912 O GLY A 59 5.279 6.644 -3.205 1.00 0.00 O ATOM 0 H GLY A 59 1.780 6.657 -1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.039 4.774 -1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.935 5.388 -2.823 1.00 0.00 H new ATOM 916 N LYS A 60 4.364 7.742 -1.543 1.00 0.00 N ATOM 917 CA LYS A 60 5.189 8.952 -1.681 1.00 0.00 C ATOM 918 C LYS A 60 6.712 8.652 -1.487 1.00 0.00 C ATOM 919 O LYS A 60 7.525 9.130 -2.252 1.00 0.00 O ATOM 920 CB LYS A 60 4.674 9.916 -0.572 1.00 0.00 C ATOM 921 CG LYS A 60 5.407 11.338 -0.598 1.00 0.00 C ATOM 922 CD LYS A 60 4.776 12.269 0.457 1.00 0.00 C ATOM 923 CE LYS A 60 5.180 11.843 1.883 1.00 0.00 C ATOM 924 NZ LYS A 60 4.169 10.885 2.415 1.00 0.00 N ATOM 0 H LYS A 60 3.683 7.796 -0.786 1.00 0.00 H new ATOM 0 HA LYS A 60 5.101 9.377 -2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.601 10.063 -0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.823 9.453 0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.471 11.213 -0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.320 11.784 -1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.093 13.296 0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.690 12.249 0.362 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.166 11.379 1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.246 12.717 2.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.680 11.312 3.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.476 10.663 1.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.644 10.011 2.717 1.00 0.00 H new ATOM 938 N ASP A 61 7.098 7.870 -0.512 1.00 0.00 N ATOM 939 CA ASP A 61 8.566 7.534 -0.298 1.00 0.00 C ATOM 940 C ASP A 61 9.034 6.550 -1.385 1.00 0.00 C ATOM 941 O ASP A 61 10.189 6.171 -1.442 1.00 0.00 O ATOM 942 CB ASP A 61 8.789 6.920 1.086 1.00 0.00 C ATOM 943 CG ASP A 61 7.844 5.726 1.268 1.00 0.00 C ATOM 944 OD1 ASP A 61 6.884 5.632 0.522 1.00 0.00 O ATOM 945 OD2 ASP A 61 8.098 4.923 2.154 1.00 0.00 O ATOM 0 H ASP A 61 6.463 7.438 0.160 1.00 0.00 H new ATOM 0 HA ASP A 61 9.145 8.455 -0.362 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.825 6.598 1.191 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.606 7.665 1.861 1.00 0.00 H new ATOM 950 N GLN A 62 8.121 6.059 -2.170 1.00 0.00 N ATOM 951 CA GLN A 62 8.457 5.038 -3.217 1.00 0.00 C ATOM 952 C GLN A 62 8.485 5.624 -4.597 1.00 0.00 C ATOM 953 O GLN A 62 7.616 6.348 -5.023 1.00 0.00 O ATOM 954 CB GLN A 62 7.311 4.043 -3.235 1.00 0.00 C ATOM 955 CG GLN A 62 7.324 3.223 -1.890 1.00 0.00 C ATOM 956 CD GLN A 62 6.150 2.232 -1.849 1.00 0.00 C ATOM 957 OE1 GLN A 62 6.222 1.213 -1.192 1.00 0.00 O ATOM 958 NE2 GLN A 62 5.067 2.494 -2.529 1.00 0.00 N ATOM 0 H GLN A 62 7.136 6.322 -2.136 1.00 0.00 H new ATOM 0 HA GLN A 62 9.433 4.615 -2.979 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.361 4.565 -3.349 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.409 3.370 -4.087 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.266 2.683 -1.796 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.261 3.905 -1.042 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.006 3.350 -3.081 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.282 1.843 -2.508 1.00 0.00 H new ATOM 967 N THR A 63 9.485 5.262 -5.319 1.00 0.00 N ATOM 968 CA THR A 63 9.590 5.757 -6.686 1.00 0.00 C ATOM 969 C THR A 63 8.515 5.112 -7.557 1.00 0.00 C ATOM 970 O THR A 63 7.890 4.148 -7.192 1.00 0.00 O ATOM 971 CB THR A 63 11.009 5.513 -7.242 1.00 0.00 C ATOM 972 OG1 THR A 63 11.364 4.155 -7.013 1.00 0.00 O ATOM 973 CG2 THR A 63 12.025 6.425 -6.541 1.00 0.00 C ATOM 0 H THR A 63 10.236 4.641 -5.016 1.00 0.00 H new ATOM 0 HA THR A 63 9.422 6.834 -6.694 1.00 0.00 H new ATOM 0 HB THR A 63 11.017 5.734 -8.309 1.00 0.00 H new ATOM 0 HG1 THR A 63 12.264 3.988 -7.364 1.00 0.00 H new ATOM 0 HG21 THR A 63 13.020 6.240 -6.945 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.754 7.467 -6.708 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.024 6.217 -5.471 1.00 0.00 H new ATOM 981 N GLU A 64 8.364 5.668 -8.724 1.00 0.00 N ATOM 982 CA GLU A 64 7.394 5.202 -9.762 1.00 0.00 C ATOM 983 C GLU A 64 7.596 3.727 -10.204 1.00 0.00 C ATOM 984 O GLU A 64 6.641 3.003 -10.317 1.00 0.00 O ATOM 985 CB GLU A 64 7.584 6.104 -10.996 1.00 0.00 C ATOM 986 CG GLU A 64 6.468 5.861 -12.018 1.00 0.00 C ATOM 987 CD GLU A 64 5.144 6.388 -11.461 1.00 0.00 C ATOM 988 OE1 GLU A 64 5.175 7.039 -10.429 1.00 0.00 O ATOM 989 OE2 GLU A 64 4.123 6.133 -12.076 1.00 0.00 O ATOM 0 H GLU A 64 8.908 6.478 -9.020 1.00 0.00 H new ATOM 0 HA GLU A 64 6.396 5.260 -9.329 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.584 7.151 -10.692 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.553 5.905 -11.453 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.705 6.361 -12.957 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.385 4.796 -12.236 1.00 0.00 H new ATOM 996 N SER A 65 8.787 3.281 -10.521 1.00 0.00 N ATOM 997 CA SER A 65 8.962 1.892 -10.957 1.00 0.00 C ATOM 998 C SER A 65 8.676 0.923 -9.821 1.00 0.00 C ATOM 999 O SER A 65 8.236 -0.156 -10.046 1.00 0.00 O ATOM 1000 CB SER A 65 10.406 1.745 -11.439 1.00 0.00 C ATOM 1001 OG SER A 65 11.289 2.077 -10.378 1.00 0.00 O ATOM 0 H SER A 65 9.642 3.836 -10.491 1.00 0.00 H new ATOM 0 HA SER A 65 8.262 1.657 -11.759 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.588 0.724 -11.773 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.585 2.397 -12.294 1.00 0.00 H new ATOM 0 HG SER A 65 12.016 1.421 -10.340 1.00 0.00 H new ATOM 1007 N TRP A 66 8.855 1.282 -8.598 1.00 0.00 N ATOM 1008 CA TRP A 66 8.557 0.301 -7.515 1.00 0.00 C ATOM 1009 C TRP A 66 7.076 0.022 -7.621 1.00 0.00 C ATOM 1010 O TRP A 66 6.608 -1.057 -7.540 1.00 0.00 O ATOM 1011 CB TRP A 66 8.927 0.837 -6.133 1.00 0.00 C ATOM 1012 CG TRP A 66 8.771 -0.241 -5.138 1.00 0.00 C ATOM 1013 CD1 TRP A 66 7.607 -0.636 -4.620 1.00 0.00 C ATOM 1014 CD2 TRP A 66 9.799 -1.028 -4.498 1.00 0.00 C ATOM 1015 NE1 TRP A 66 7.839 -1.693 -3.758 1.00 0.00 N ATOM 1016 CE2 TRP A 66 9.185 -1.937 -3.616 1.00 0.00 C ATOM 1017 CE3 TRP A 66 11.203 -1.044 -4.610 1.00 0.00 C ATOM 1018 CZ2 TRP A 66 9.936 -2.830 -2.853 1.00 0.00 C ATOM 1019 CZ3 TRP A 66 11.960 -1.935 -3.841 1.00 0.00 C ATOM 1020 CH2 TRP A 66 11.330 -2.826 -2.957 1.00 0.00 C ATOM 0 H TRP A 66 9.189 2.196 -8.291 1.00 0.00 H new ATOM 0 HA TRP A 66 9.150 -0.606 -7.634 1.00 0.00 H new ATOM 0 HB2 TRP A 66 9.954 1.202 -6.134 1.00 0.00 H new ATOM 0 HB3 TRP A 66 8.289 1.682 -5.875 1.00 0.00 H new ATOM 0 HD1 TRP A 66 6.642 -0.202 -4.838 1.00 0.00 H new ATOM 0 HE1 TRP A 66 7.106 -2.223 -3.288 1.00 0.00 H new ATOM 0 HE3 TRP A 66 11.697 -0.367 -5.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 9.443 -3.521 -2.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 13.036 -1.937 -3.928 1.00 0.00 H new ATOM 0 HH2 TRP A 66 11.920 -3.505 -2.360 1.00 0.00 H new ATOM 1031 N TRP A 67 6.330 1.043 -7.791 1.00 0.00 N ATOM 1032 CA TRP A 67 4.886 0.857 -7.853 1.00 0.00 C ATOM 1033 C TRP A 67 4.668 0.079 -9.178 1.00 0.00 C ATOM 1034 O TRP A 67 4.027 -0.970 -9.207 1.00 0.00 O ATOM 1035 CB TRP A 67 4.184 2.230 -7.834 1.00 0.00 C ATOM 1036 CG TRP A 67 3.923 2.760 -6.404 1.00 0.00 C ATOM 1037 CD1 TRP A 67 4.420 3.900 -5.802 1.00 0.00 C ATOM 1038 CD2 TRP A 67 3.077 2.145 -5.377 1.00 0.00 C ATOM 1039 NE1 TRP A 67 3.896 4.031 -4.544 1.00 0.00 N ATOM 1040 CE2 TRP A 67 3.074 2.973 -4.215 1.00 0.00 C ATOM 1041 CE3 TRP A 67 2.299 0.961 -5.349 1.00 0.00 C ATOM 1042 CZ2 TRP A 67 2.334 2.639 -3.075 1.00 0.00 C ATOM 1043 CZ3 TRP A 67 1.557 0.617 -4.200 1.00 0.00 C ATOM 1044 CH2 TRP A 67 1.576 1.454 -3.066 1.00 0.00 C ATOM 0 H TRP A 67 6.658 2.004 -7.890 1.00 0.00 H new ATOM 0 HA TRP A 67 4.468 0.310 -7.008 1.00 0.00 H new ATOM 0 HB2 TRP A 67 4.796 2.951 -8.376 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.235 2.153 -8.365 1.00 0.00 H new ATOM 0 HD1 TRP A 67 5.119 4.587 -6.257 1.00 0.00 H new ATOM 0 HE1 TRP A 67 4.090 4.817 -3.924 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.274 0.316 -6.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 2.345 3.285 -2.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 0.972 -0.291 -4.189 1.00 0.00 H new ATOM 0 HH2 TRP A 67 1.007 1.185 -2.188 1.00 0.00 H new ATOM 1055 N LYS A 68 5.304 0.517 -10.249 1.00 0.00 N ATOM 1056 CA LYS A 68 5.167 -0.211 -11.574 1.00 0.00 C ATOM 1057 C LYS A 68 5.567 -1.656 -11.343 1.00 0.00 C ATOM 1058 O LYS A 68 4.909 -2.592 -11.748 1.00 0.00 O ATOM 1059 CB LYS A 68 6.104 0.415 -12.682 1.00 0.00 C ATOM 1060 CG LYS A 68 5.640 0.132 -14.173 1.00 0.00 C ATOM 1061 CD LYS A 68 4.489 1.095 -14.602 1.00 0.00 C ATOM 1062 CE LYS A 68 3.974 0.732 -16.004 1.00 0.00 C ATOM 1063 NZ LYS A 68 5.058 0.943 -17.006 1.00 0.00 N ATOM 0 H LYS A 68 5.908 1.339 -10.269 1.00 0.00 H new ATOM 0 HA LYS A 68 4.139 -0.128 -11.926 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.156 1.493 -12.529 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.113 0.025 -12.549 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.487 0.251 -14.848 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.304 -0.901 -14.262 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.672 1.037 -13.883 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.847 2.124 -14.596 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.644 -0.307 -16.023 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.109 1.346 -16.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.658 0.896 -17.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.491 1.877 -16.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.781 0.204 -16.896 1.00 0.00 H new ATOM 1077 N ALA A 69 6.681 -1.808 -10.719 1.00 0.00 N ATOM 1078 CA ALA A 69 7.228 -3.126 -10.439 1.00 0.00 C ATOM 1079 C ALA A 69 6.247 -3.933 -9.584 1.00 0.00 C ATOM 1080 O ALA A 69 6.002 -5.080 -9.854 1.00 0.00 O ATOM 1081 CB ALA A 69 8.574 -2.965 -9.738 1.00 0.00 C ATOM 0 H ALA A 69 7.253 -1.035 -10.380 1.00 0.00 H new ATOM 0 HA ALA A 69 7.380 -3.673 -11.370 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.993 -3.948 -9.524 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.257 -2.413 -10.384 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.435 -2.419 -8.805 1.00 0.00 H new ATOM 1087 N PHE A 70 5.673 -3.342 -8.568 1.00 0.00 N ATOM 1088 CA PHE A 70 4.686 -4.102 -7.709 1.00 0.00 C ATOM 1089 C PHE A 70 3.508 -4.574 -8.562 1.00 0.00 C ATOM 1090 O PHE A 70 3.057 -5.695 -8.452 1.00 0.00 O ATOM 1091 CB PHE A 70 4.135 -3.192 -6.633 1.00 0.00 C ATOM 1092 CG PHE A 70 3.174 -3.882 -5.692 1.00 0.00 C ATOM 1093 CD1 PHE A 70 3.611 -4.999 -4.954 1.00 0.00 C ATOM 1094 CD2 PHE A 70 1.832 -3.463 -5.611 1.00 0.00 C ATOM 1095 CE1 PHE A 70 2.708 -5.696 -4.132 1.00 0.00 C ATOM 1096 CE2 PHE A 70 0.930 -4.157 -4.781 1.00 0.00 C ATOM 1097 CZ PHE A 70 1.368 -5.276 -4.047 1.00 0.00 C ATOM 0 H PHE A 70 5.836 -2.375 -8.289 1.00 0.00 H new ATOM 0 HA PHE A 70 5.202 -4.953 -7.265 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.964 -2.782 -6.056 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.628 -2.351 -7.105 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.640 -5.320 -5.019 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.495 -2.612 -6.184 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.043 -6.553 -3.566 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.097 -3.831 -4.708 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.674 -5.813 -3.418 1.00 0.00 H new ATOM 1107 N SER A 71 3.002 -3.710 -9.416 1.00 0.00 N ATOM 1108 CA SER A 71 1.858 -4.124 -10.273 1.00 0.00 C ATOM 1109 C SER A 71 2.253 -5.357 -11.094 1.00 0.00 C ATOM 1110 O SER A 71 1.484 -6.286 -11.256 1.00 0.00 O ATOM 1111 CB SER A 71 1.494 -2.980 -11.221 1.00 0.00 C ATOM 1112 OG SER A 71 1.199 -1.815 -10.462 1.00 0.00 O ATOM 0 H SER A 71 3.330 -2.754 -9.550 1.00 0.00 H new ATOM 0 HA SER A 71 1.001 -4.365 -9.644 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.320 -2.783 -11.905 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.634 -3.258 -11.831 1.00 0.00 H new ATOM 0 HG SER A 71 0.967 -1.080 -11.067 1.00 0.00 H new ATOM 1118 N ARG A 72 3.451 -5.357 -11.608 1.00 0.00 N ATOM 1119 CA ARG A 72 3.932 -6.516 -12.419 1.00 0.00 C ATOM 1120 C ARG A 72 3.907 -7.804 -11.575 1.00 0.00 C ATOM 1121 O ARG A 72 3.500 -8.850 -12.035 1.00 0.00 O ATOM 1122 CB ARG A 72 5.363 -6.192 -12.896 1.00 0.00 C ATOM 1123 CG ARG A 72 5.910 -7.286 -13.821 1.00 0.00 C ATOM 1124 CD ARG A 72 7.305 -6.891 -14.312 1.00 0.00 C ATOM 1125 NE ARG A 72 7.200 -5.699 -15.201 1.00 0.00 N ATOM 1126 CZ ARG A 72 8.166 -5.417 -16.034 1.00 0.00 C ATOM 1127 NH1 ARG A 72 9.226 -6.181 -16.084 1.00 0.00 N ATOM 1128 NH2 ARG A 72 8.072 -4.377 -16.815 1.00 0.00 N ATOM 0 H ARG A 72 4.125 -4.599 -11.501 1.00 0.00 H new ATOM 0 HA ARG A 72 3.283 -6.680 -13.279 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.365 -5.237 -13.421 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.019 -6.083 -12.033 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.956 -8.237 -13.290 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.241 -7.427 -14.670 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.952 -6.669 -13.463 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.761 -7.721 -14.851 1.00 0.00 H new ATOM 0 HE ARG A 72 6.373 -5.103 -15.159 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.297 -6.995 -15.473 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.982 -5.963 -16.734 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.244 -3.783 -16.776 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.827 -4.158 -17.465 1.00 0.00 H new ATOM 1142 N GLN A 73 4.351 -7.735 -10.353 1.00 0.00 N ATOM 1143 CA GLN A 73 4.353 -8.944 -9.475 1.00 0.00 C ATOM 1144 C GLN A 73 2.941 -9.566 -9.376 1.00 0.00 C ATOM 1145 O GLN A 73 2.781 -10.776 -9.386 1.00 0.00 O ATOM 1146 CB GLN A 73 4.798 -8.541 -8.055 1.00 0.00 C ATOM 1147 CG GLN A 73 6.267 -8.111 -8.019 1.00 0.00 C ATOM 1148 CD GLN A 73 6.684 -7.857 -6.536 1.00 0.00 C ATOM 1149 OE1 GLN A 73 6.068 -8.377 -5.632 1.00 0.00 O ATOM 1150 NE2 GLN A 73 7.694 -7.046 -6.250 1.00 0.00 N ATOM 0 H GLN A 73 4.716 -6.888 -9.918 1.00 0.00 H new ATOM 0 HA GLN A 73 5.037 -9.674 -9.909 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.172 -7.724 -7.696 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.648 -9.380 -7.376 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.897 -8.883 -8.460 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.410 -7.207 -8.611 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.220 -6.602 -7.002 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.944 -6.866 -5.278 1.00 0.00 H new ATOM 1159 N LEU A 74 1.925 -8.743 -9.238 1.00 0.00 N ATOM 1160 CA LEU A 74 0.517 -9.260 -9.112 1.00 0.00 C ATOM 1161 C LEU A 74 0.028 -9.979 -10.381 1.00 0.00 C ATOM 1162 O LEU A 74 -0.748 -10.911 -10.310 1.00 0.00 O ATOM 1163 CB LEU A 74 -0.420 -8.078 -8.821 1.00 0.00 C ATOM 1164 CG LEU A 74 0.139 -7.237 -7.638 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -0.725 -5.969 -7.419 1.00 0.00 C ATOM 1166 CD2 LEU A 74 0.188 -8.070 -6.325 1.00 0.00 C ATOM 0 H LEU A 74 2.010 -7.727 -9.207 1.00 0.00 H new ATOM 0 HA LEU A 74 0.508 -9.988 -8.301 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.517 -7.453 -9.709 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.417 -8.445 -8.578 1.00 0.00 H new ATOM 0 HG LEU A 74 1.156 -6.941 -7.896 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.320 -5.392 -6.588 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.713 -5.360 -8.323 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.750 -6.262 -7.192 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.583 -7.454 -5.518 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.817 -8.404 -6.068 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.833 -8.937 -6.468 1.00 0.00 H new ATOM 1178 N ILE A 75 0.425 -9.521 -11.533 1.00 0.00 N ATOM 1179 CA ILE A 75 -0.047 -10.171 -12.798 1.00 0.00 C ATOM 1180 C ILE A 75 0.391 -11.642 -12.890 1.00 0.00 C ATOM 1181 O ILE A 75 -0.379 -12.502 -13.272 1.00 0.00 O ATOM 1182 CB ILE A 75 0.522 -9.405 -13.991 1.00 0.00 C ATOM 1183 CG1 ILE A 75 -0.090 -8.001 -14.027 1.00 0.00 C ATOM 1184 CG2 ILE A 75 0.186 -10.145 -15.286 1.00 0.00 C ATOM 1185 CD1 ILE A 75 0.660 -7.134 -15.042 1.00 0.00 C ATOM 0 H ILE A 75 1.054 -8.728 -11.660 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.137 -10.147 -12.802 1.00 0.00 H new ATOM 0 HB ILE A 75 1.605 -9.330 -13.893 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.145 -8.061 -14.295 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.038 -7.546 -13.038 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.593 -9.596 -16.135 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.621 -11.144 -15.258 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.896 -10.223 -15.390 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.221 -6.137 -15.064 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.709 -7.062 -14.755 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.585 -7.585 -16.031 1.00 0.00 H new ATOM 1197 N THR A 76 1.626 -11.931 -12.595 1.00 0.00 N ATOM 1198 CA THR A 76 2.118 -13.345 -12.689 1.00 0.00 C ATOM 1199 C THR A 76 1.515 -14.224 -11.583 1.00 0.00 C ATOM 1200 O THR A 76 1.206 -15.376 -11.812 1.00 0.00 O ATOM 1201 CB THR A 76 3.645 -13.358 -12.573 1.00 0.00 C ATOM 1202 OG1 THR A 76 4.189 -12.388 -13.455 1.00 0.00 O ATOM 1203 CG2 THR A 76 4.183 -14.744 -12.942 1.00 0.00 C ATOM 0 H THR A 76 2.323 -11.251 -12.291 1.00 0.00 H new ATOM 0 HA THR A 76 1.808 -13.751 -13.652 1.00 0.00 H new ATOM 0 HB THR A 76 3.932 -13.125 -11.548 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.166 -12.392 -13.383 1.00 0.00 H new ATOM 0 HG21 THR A 76 5.270 -14.747 -12.858 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.765 -15.489 -12.265 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.898 -14.984 -13.966 1.00 0.00 H new ATOM 1211 N GLU A 77 1.369 -13.719 -10.390 1.00 0.00 N ATOM 1212 CA GLU A 77 0.815 -14.574 -9.292 1.00 0.00 C ATOM 1213 C GLU A 77 -0.638 -14.985 -9.585 1.00 0.00 C ATOM 1214 O GLU A 77 -1.105 -15.993 -9.095 1.00 0.00 O ATOM 1215 CB GLU A 77 0.865 -13.791 -7.974 1.00 0.00 C ATOM 1216 CG GLU A 77 2.324 -13.539 -7.582 1.00 0.00 C ATOM 1217 CD GLU A 77 2.364 -12.677 -6.321 1.00 0.00 C ATOM 1218 OE1 GLU A 77 1.306 -12.281 -5.862 1.00 0.00 O ATOM 1219 OE2 GLU A 77 3.452 -12.430 -5.828 1.00 0.00 O ATOM 0 H GLU A 77 1.605 -12.763 -10.125 1.00 0.00 H new ATOM 0 HA GLU A 77 1.418 -15.479 -9.221 1.00 0.00 H new ATOM 0 HB2 GLU A 77 0.338 -12.843 -8.082 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.358 -14.350 -7.188 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.834 -14.486 -7.406 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.850 -13.039 -8.395 1.00 0.00 H new ATOM 1226 N GLY A 78 -1.369 -14.220 -10.353 1.00 0.00 N ATOM 1227 CA GLY A 78 -2.790 -14.602 -10.642 1.00 0.00 C ATOM 1228 C GLY A 78 -3.704 -13.642 -9.879 1.00 0.00 C ATOM 1229 O GLY A 78 -4.881 -13.510 -10.160 1.00 0.00 O ATOM 0 H GLY A 78 -1.051 -13.355 -10.790 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.989 -14.547 -11.712 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.978 -15.631 -10.335 1.00 0.00 H new ATOM 1233 N PHE A 79 -3.137 -12.944 -8.939 1.00 0.00 N ATOM 1234 CA PHE A 79 -3.885 -11.948 -8.121 1.00 0.00 C ATOM 1235 C PHE A 79 -4.502 -10.898 -9.054 1.00 0.00 C ATOM 1236 O PHE A 79 -5.543 -10.345 -8.770 1.00 0.00 O ATOM 1237 CB PHE A 79 -2.848 -11.286 -7.202 1.00 0.00 C ATOM 1238 CG PHE A 79 -2.732 -12.034 -5.884 1.00 0.00 C ATOM 1239 CD1 PHE A 79 -2.139 -13.310 -5.867 1.00 0.00 C ATOM 1240 CD2 PHE A 79 -3.217 -11.472 -4.680 1.00 0.00 C ATOM 1241 CE1 PHE A 79 -2.027 -14.024 -4.657 1.00 0.00 C ATOM 1242 CE2 PHE A 79 -3.102 -12.188 -3.473 1.00 0.00 C ATOM 1243 CZ PHE A 79 -2.506 -13.461 -3.462 1.00 0.00 C ATOM 0 H PHE A 79 -2.150 -13.025 -8.694 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.686 -12.410 -7.544 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.878 -11.264 -7.699 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.132 -10.251 -7.013 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.768 -13.744 -6.784 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.675 -10.494 -4.686 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.573 -15.004 -4.648 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.472 -11.758 -2.554 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.416 -14.007 -2.534 1.00 0.00 H new ATOM 1253 N LEU A 80 -3.847 -10.588 -10.151 1.00 0.00 N ATOM 1254 CA LEU A 80 -4.390 -9.545 -11.082 1.00 0.00 C ATOM 1255 C LEU A 80 -4.300 -10.013 -12.549 1.00 0.00 C ATOM 1256 O LEU A 80 -3.379 -10.688 -12.960 1.00 0.00 O ATOM 1257 CB LEU A 80 -3.554 -8.255 -10.885 1.00 0.00 C ATOM 1258 CG LEU A 80 -4.076 -7.079 -11.735 1.00 0.00 C ATOM 1259 CD1 LEU A 80 -5.348 -6.485 -11.105 1.00 0.00 C ATOM 1260 CD2 LEU A 80 -2.983 -6.001 -11.899 1.00 0.00 C ATOM 0 H LEU A 80 -2.965 -11.010 -10.440 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.441 -9.363 -10.859 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.569 -7.973 -9.832 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.515 -8.455 -11.147 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.331 -7.452 -12.727 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.704 -5.656 -11.717 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.120 -7.253 -11.050 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.123 -6.125 -10.101 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.370 -5.179 -12.502 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.692 -5.626 -10.918 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.114 -6.436 -12.393 1.00 0.00 H new ATOM 1272 N VAL A 81 -5.269 -9.605 -13.328 1.00 0.00 N ATOM 1273 CA VAL A 81 -5.318 -9.930 -14.784 1.00 0.00 C ATOM 1274 C VAL A 81 -5.522 -8.599 -15.513 1.00 0.00 C ATOM 1275 O VAL A 81 -6.243 -7.757 -15.033 1.00 0.00 O ATOM 1276 CB VAL A 81 -6.497 -10.869 -15.075 1.00 0.00 C ATOM 1277 CG1 VAL A 81 -7.813 -10.083 -15.016 1.00 0.00 C ATOM 1278 CG2 VAL A 81 -6.330 -11.484 -16.473 1.00 0.00 C ATOM 0 H VAL A 81 -6.054 -9.041 -13.002 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.405 -10.429 -15.110 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.518 -11.662 -14.328 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.647 -10.754 -15.223 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.934 -9.650 -14.023 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.795 -9.286 -15.760 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.167 -12.151 -16.680 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.306 -10.690 -17.219 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.398 -12.048 -16.513 1.00 0.00 H new ATOM 1288 N GLU A 82 -4.901 -8.369 -16.644 1.00 0.00 N ATOM 1289 CA GLU A 82 -5.119 -7.047 -17.338 1.00 0.00 C ATOM 1290 C GLU A 82 -5.770 -7.237 -18.699 1.00 0.00 C ATOM 1291 O GLU A 82 -5.391 -8.106 -19.459 1.00 0.00 O ATOM 1292 CB GLU A 82 -3.774 -6.325 -17.495 1.00 0.00 C ATOM 1293 CG GLU A 82 -3.263 -5.870 -16.123 1.00 0.00 C ATOM 1294 CD GLU A 82 -1.904 -5.182 -16.281 1.00 0.00 C ATOM 1295 OE1 GLU A 82 -1.387 -5.180 -17.385 1.00 0.00 O ATOM 1296 OE2 GLU A 82 -1.405 -4.669 -15.293 1.00 0.00 O ATOM 0 H GLU A 82 -4.267 -9.016 -17.112 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.792 -6.445 -16.728 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.047 -6.990 -17.962 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.888 -5.464 -18.154 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.978 -5.185 -15.667 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.172 -6.727 -15.455 1.00 0.00 H new ATOM 1303 N VAL A 83 -6.750 -6.417 -19.036 1.00 0.00 N ATOM 1304 CA VAL A 83 -7.392 -6.585 -20.362 1.00 0.00 C ATOM 1305 C VAL A 83 -7.123 -5.332 -21.181 1.00 0.00 C ATOM 1306 O VAL A 83 -7.358 -4.192 -20.774 1.00 0.00 O ATOM 1307 CB VAL A 83 -8.894 -6.820 -20.204 1.00 0.00 C ATOM 1308 CG1 VAL A 83 -9.581 -6.751 -21.570 1.00 0.00 C ATOM 1309 CG2 VAL A 83 -9.126 -8.209 -19.596 1.00 0.00 C ATOM 0 H VAL A 83 -7.116 -5.661 -18.457 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.978 -7.455 -20.872 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.310 -6.052 -19.552 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -10.651 -6.920 -21.448 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.416 -5.768 -22.011 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.165 -7.516 -22.225 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.196 -8.382 -19.481 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.704 -8.969 -20.254 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.643 -8.265 -18.621 1.00 0.00 H new ATOM 1319 N SER A 84 -6.665 -5.577 -22.355 1.00 0.00 N ATOM 1320 CA SER A 84 -6.358 -4.508 -23.310 1.00 0.00 C ATOM 1321 C SER A 84 -7.617 -4.115 -24.043 1.00 0.00 C ATOM 1322 O SER A 84 -7.613 -3.174 -24.794 1.00 0.00 O ATOM 1323 CB SER A 84 -5.249 -4.923 -24.281 1.00 0.00 C ATOM 1324 OG SER A 84 -4.935 -3.824 -25.126 1.00 0.00 O ATOM 0 H SER A 84 -6.483 -6.517 -22.707 1.00 0.00 H new ATOM 0 HA SER A 84 -5.984 -3.643 -22.762 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.364 -5.237 -23.728 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.572 -5.776 -24.878 1.00 0.00 H new ATOM 0 HG SER A 84 -5.738 -3.280 -25.268 1.00 0.00 H new ATOM 1330 N ARG A 85 -8.678 -4.875 -23.932 1.00 0.00 N ATOM 1331 CA ARG A 85 -9.900 -4.534 -24.722 1.00 0.00 C ATOM 1332 C ARG A 85 -10.700 -3.473 -23.962 1.00 0.00 C ATOM 1333 O ARG A 85 -11.831 -3.130 -24.234 1.00 0.00 O ATOM 1334 CB ARG A 85 -10.755 -5.798 -24.898 1.00 0.00 C ATOM 1335 CG ARG A 85 -10.040 -6.827 -25.825 1.00 0.00 C ATOM 1336 CD ARG A 85 -10.854 -8.128 -25.901 1.00 0.00 C ATOM 1337 NE ARG A 85 -10.167 -9.101 -26.794 1.00 0.00 N ATOM 1338 CZ ARG A 85 -10.696 -10.275 -27.006 1.00 0.00 C ATOM 1339 NH1 ARG A 85 -11.822 -10.596 -26.430 1.00 0.00 N ATOM 1340 NH2 ARG A 85 -10.101 -11.130 -27.793 1.00 0.00 N ATOM 0 H ARG A 85 -8.751 -5.702 -23.340 1.00 0.00 H new ATOM 0 HA ARG A 85 -9.618 -4.149 -25.702 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.947 -6.251 -23.925 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.723 -5.531 -25.322 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.920 -6.406 -26.823 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.040 -7.037 -25.445 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -10.970 -8.554 -24.904 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -11.856 -7.920 -26.277 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.284 -8.850 -27.239 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -12.288 -9.929 -25.815 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -12.236 -11.513 -26.595 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.221 -10.881 -28.244 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.517 -12.047 -27.957 1.00 0.00 H new ATOM 1354 N TYR A 86 -10.046 -3.084 -22.903 1.00 0.00 N ATOM 1355 CA TYR A 86 -10.535 -2.148 -21.859 1.00 0.00 C ATOM 1356 C TYR A 86 -9.492 -1.086 -21.460 1.00 0.00 C ATOM 1357 O TYR A 86 -8.416 -1.384 -20.982 1.00 0.00 O ATOM 1358 CB TYR A 86 -10.868 -3.028 -20.622 1.00 0.00 C ATOM 1359 CG TYR A 86 -12.303 -3.526 -20.694 1.00 0.00 C ATOM 1360 CD1 TYR A 86 -12.651 -4.569 -21.577 1.00 0.00 C ATOM 1361 CD2 TYR A 86 -13.290 -2.935 -19.877 1.00 0.00 C ATOM 1362 CE1 TYR A 86 -13.982 -5.023 -21.639 1.00 0.00 C ATOM 1363 CE2 TYR A 86 -14.619 -3.394 -19.942 1.00 0.00 C ATOM 1364 CZ TYR A 86 -14.967 -4.435 -20.824 1.00 0.00 C ATOM 1365 OH TYR A 86 -16.270 -4.882 -20.888 1.00 0.00 O ATOM 0 H TYR A 86 -9.101 -3.415 -22.709 1.00 0.00 H new ATOM 0 HA TYR A 86 -11.395 -1.597 -22.241 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.184 -3.876 -20.577 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.722 -2.452 -19.708 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.897 -5.019 -22.205 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -13.026 -2.133 -19.204 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.248 -5.824 -22.313 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -15.374 -2.946 -19.313 1.00 0.00 H new ATOM 0 HH TYR A 86 -16.822 -4.371 -20.260 1.00 0.00 H new ATOM 1375 N ASN A 87 -9.840 0.146 -21.758 1.00 0.00 N ATOM 1376 CA ASN A 87 -9.000 1.374 -21.531 1.00 0.00 C ATOM 1377 C ASN A 87 -8.083 1.590 -22.742 1.00 0.00 C ATOM 1378 O ASN A 87 -6.948 1.160 -22.740 1.00 0.00 O ATOM 1379 CB ASN A 87 -8.143 1.234 -20.268 1.00 0.00 C ATOM 1380 CG ASN A 87 -9.046 1.277 -19.034 1.00 0.00 C ATOM 1381 OD1 ASN A 87 -8.617 1.658 -17.964 1.00 0.00 O ATOM 1382 ND2 ASN A 87 -10.293 0.901 -19.142 1.00 0.00 N ATOM 0 H ASN A 87 -10.742 0.363 -22.182 1.00 0.00 H new ATOM 0 HA ASN A 87 -9.666 2.227 -21.402 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -7.588 0.296 -20.294 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.408 2.038 -20.223 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -10.906 0.928 -18.327 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.653 0.581 -20.041 1.00 0.00 H new ATOM 1389 N LYS A 88 -8.506 2.356 -23.721 1.00 0.00 N ATOM 1390 CA LYS A 88 -7.584 2.665 -24.863 1.00 0.00 C ATOM 1391 C LYS A 88 -6.415 3.471 -24.278 1.00 0.00 C ATOM 1392 O LYS A 88 -5.428 3.760 -24.922 1.00 0.00 O ATOM 1393 CB LYS A 88 -8.315 3.514 -25.911 1.00 0.00 C ATOM 1394 CG LYS A 88 -7.488 3.588 -27.199 1.00 0.00 C ATOM 1395 CD LYS A 88 -8.165 4.553 -28.173 1.00 0.00 C ATOM 1396 CE LYS A 88 -9.562 4.030 -28.510 1.00 0.00 C ATOM 1397 NZ LYS A 88 -10.544 4.566 -27.524 1.00 0.00 N ATOM 0 H LYS A 88 -9.434 2.775 -23.780 1.00 0.00 H new ATOM 0 HA LYS A 88 -7.238 1.750 -25.344 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.293 3.082 -26.122 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -8.487 4.518 -25.522 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.476 3.926 -26.977 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.402 2.599 -27.648 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -8.233 5.547 -27.731 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -7.570 4.648 -29.082 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.842 4.332 -29.519 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -9.569 2.940 -28.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.977 3.778 -27.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.057 5.198 -26.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -11.285 5.097 -28.025 1.00 0.00 H new ATOM 1411 N PHE A 89 -6.554 3.777 -23.009 1.00 0.00 N ATOM 1412 CA PHE A 89 -5.541 4.547 -22.221 1.00 0.00 C ATOM 1413 C PHE A 89 -4.401 3.565 -21.962 1.00 0.00 C ATOM 1414 O PHE A 89 -3.323 3.659 -22.505 1.00 0.00 O ATOM 1415 CB PHE A 89 -6.143 5.026 -20.901 1.00 0.00 C ATOM 1416 CG PHE A 89 -7.045 6.208 -21.162 1.00 0.00 C ATOM 1417 CD1 PHE A 89 -6.505 7.505 -21.229 1.00 0.00 C ATOM 1418 CD2 PHE A 89 -8.426 6.012 -21.349 1.00 0.00 C ATOM 1419 CE1 PHE A 89 -7.346 8.610 -21.478 1.00 0.00 C ATOM 1420 CE2 PHE A 89 -9.267 7.114 -21.597 1.00 0.00 C ATOM 1421 CZ PHE A 89 -8.725 8.413 -21.664 1.00 0.00 C ATOM 0 H PHE A 89 -7.372 3.509 -22.462 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.200 5.435 -22.754 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.708 4.220 -20.432 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.350 5.305 -20.207 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.445 7.655 -21.090 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.841 5.016 -21.302 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.931 9.606 -21.526 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -10.327 6.964 -21.736 1.00 0.00 H new ATOM 0 HZ PHE A 89 -9.370 9.257 -21.858 1.00 0.00 H new ATOM 1431 N MET A 90 -4.637 2.700 -21.022 1.00 0.00 N ATOM 1432 CA MET A 90 -3.619 1.715 -20.549 1.00 0.00 C ATOM 1433 C MET A 90 -4.159 0.490 -19.821 1.00 0.00 C ATOM 1434 O MET A 90 -4.239 0.418 -18.614 1.00 0.00 O ATOM 1435 CB MET A 90 -2.652 2.419 -19.589 1.00 0.00 C ATOM 1436 CG MET A 90 -1.393 1.552 -19.347 1.00 0.00 C ATOM 1437 SD MET A 90 -0.102 2.561 -18.581 1.00 0.00 S ATOM 1438 CE MET A 90 1.322 1.730 -19.333 1.00 0.00 C ATOM 0 H MET A 90 -5.532 2.630 -20.539 1.00 0.00 H new ATOM 0 HA MET A 90 -3.149 1.350 -21.462 1.00 0.00 H new ATOM 0 HB2 MET A 90 -2.361 3.385 -20.002 1.00 0.00 H new ATOM 0 HB3 MET A 90 -3.152 2.616 -18.641 1.00 0.00 H new ATOM 0 HG2 MET A 90 -1.639 0.707 -18.703 1.00 0.00 H new ATOM 0 HG3 MET A 90 -1.035 1.140 -20.291 1.00 0.00 H new ATOM 0 HE1 MET A 90 2.242 2.203 -18.990 1.00 0.00 H new ATOM 0 HE2 MET A 90 1.324 0.679 -19.044 1.00 0.00 H new ATOM 0 HE3 MET A 90 1.257 1.808 -20.418 1.00 0.00 H new ATOM 1448 N LYS A 91 -4.473 -0.494 -20.643 1.00 0.00 N ATOM 1449 CA LYS A 91 -4.962 -1.823 -20.185 1.00 0.00 C ATOM 1450 C LYS A 91 -5.698 -1.758 -18.861 1.00 0.00 C ATOM 1451 O LYS A 91 -5.063 -1.900 -17.842 1.00 0.00 O ATOM 1452 CB LYS A 91 -3.751 -2.807 -20.081 1.00 0.00 C ATOM 1453 CG LYS A 91 -3.071 -3.106 -21.471 1.00 0.00 C ATOM 1454 CD LYS A 91 -1.888 -2.124 -21.730 1.00 0.00 C ATOM 1455 CE LYS A 91 -0.751 -2.302 -20.690 1.00 0.00 C ATOM 1456 NZ LYS A 91 0.563 -2.124 -21.361 1.00 0.00 N ATOM 0 H LYS A 91 -4.403 -0.414 -21.657 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.682 -2.180 -20.922 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.008 -2.387 -19.403 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.090 -3.745 -19.641 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.708 -4.133 -21.490 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.808 -3.014 -22.269 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.492 -2.288 -22.732 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.254 -1.098 -21.696 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.862 -1.575 -19.885 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.809 -3.292 -20.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.327 -2.243 -20.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.667 -2.833 -22.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.616 -1.171 -21.774 1.00 0.00 H new ATOM 1470 N ILE A 92 -7.024 -1.593 -18.773 1.00 0.00 N ATOM 1471 CA ILE A 92 -7.507 -1.583 -17.354 1.00 0.00 C ATOM 1472 C ILE A 92 -6.932 -2.646 -16.417 1.00 0.00 C ATOM 1473 O ILE A 92 -6.754 -3.794 -16.775 1.00 0.00 O ATOM 1474 CB ILE A 92 -9.080 -1.581 -17.346 1.00 0.00 C ATOM 1475 CG1 ILE A 92 -9.651 -0.696 -16.202 1.00 0.00 C ATOM 1476 CG2 ILE A 92 -9.608 -3.021 -17.219 1.00 0.00 C ATOM 1477 CD1 ILE A 92 -11.150 -0.415 -16.422 1.00 0.00 C ATOM 0 H ILE A 92 -7.704 -1.480 -19.525 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.111 -0.664 -16.922 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.417 -1.154 -18.291 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.507 -1.195 -15.244 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.103 0.245 -16.156 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -10.698 -3.010 -17.214 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.255 -3.614 -18.063 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.246 -3.461 -16.290 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -11.527 0.206 -15.609 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -11.287 0.106 -17.370 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -11.698 -1.357 -16.443 1.00 0.00 H new ATOM 1489 N CYS A 93 -6.801 -2.290 -15.146 1.00 0.00 N ATOM 1490 CA CYS A 93 -6.354 -3.296 -14.172 1.00 0.00 C ATOM 1491 C CYS A 93 -7.681 -3.971 -13.783 1.00 0.00 C ATOM 1492 O CYS A 93 -8.694 -3.307 -13.692 1.00 0.00 O ATOM 1493 CB CYS A 93 -5.700 -2.624 -12.955 1.00 0.00 C ATOM 1494 SG CYS A 93 -4.426 -1.465 -13.523 1.00 0.00 S ATOM 0 H CYS A 93 -6.986 -1.360 -14.770 1.00 0.00 H new ATOM 0 HA CYS A 93 -5.605 -3.987 -14.559 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -6.452 -2.097 -12.368 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -5.258 -3.377 -12.303 1.00 0.00 H new ATOM 0 HG CYS A 93 -3.871 -0.892 -12.496 1.00 0.00 H new ATOM 1500 N ALA A 94 -7.724 -5.259 -13.619 1.00 0.00 N ATOM 1501 CA ALA A 94 -9.023 -5.927 -13.277 1.00 0.00 C ATOM 1502 C ALA A 94 -8.829 -7.040 -12.255 1.00 0.00 C ATOM 1503 O ALA A 94 -7.992 -7.912 -12.404 1.00 0.00 O ATOM 1504 CB ALA A 94 -9.615 -6.522 -14.559 1.00 0.00 C ATOM 0 H ALA A 94 -6.923 -5.884 -13.705 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.692 -5.184 -12.843 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -10.561 -7.012 -14.329 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.785 -5.726 -15.284 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.920 -7.251 -14.976 1.00 0.00 H new ATOM 1510 N LEU A 95 -9.624 -7.022 -11.219 1.00 0.00 N ATOM 1511 CA LEU A 95 -9.527 -8.072 -10.159 1.00 0.00 C ATOM 1512 C LEU A 95 -10.375 -9.273 -10.587 1.00 0.00 C ATOM 1513 O LEU A 95 -11.471 -9.119 -11.102 1.00 0.00 O ATOM 1514 CB LEU A 95 -10.030 -7.502 -8.817 1.00 0.00 C ATOM 1515 CG LEU A 95 -9.282 -6.210 -8.467 1.00 0.00 C ATOM 1516 CD1 LEU A 95 -9.835 -5.612 -7.164 1.00 0.00 C ATOM 1517 CD2 LEU A 95 -7.793 -6.532 -8.294 1.00 0.00 C ATOM 0 H LEU A 95 -10.345 -6.318 -11.059 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.492 -8.387 -10.029 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -11.100 -7.304 -8.878 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.886 -8.238 -8.026 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.417 -5.484 -9.269 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -9.295 -4.695 -6.927 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -10.895 -5.388 -7.287 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -9.708 -6.328 -6.352 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.250 -5.620 -8.045 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.669 -7.259 -7.492 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.400 -6.946 -9.223 1.00 0.00 H new ATOM 1529 N THR A 96 -9.882 -10.474 -10.398 1.00 0.00 N ATOM 1530 CA THR A 96 -10.653 -11.702 -10.799 1.00 0.00 C ATOM 1531 C THR A 96 -11.325 -12.326 -9.571 1.00 0.00 C ATOM 1532 O THR A 96 -11.399 -11.728 -8.513 1.00 0.00 O ATOM 1533 CB THR A 96 -9.684 -12.715 -11.412 1.00 0.00 C ATOM 1534 OG1 THR A 96 -8.528 -12.822 -10.588 1.00 0.00 O ATOM 1535 CG2 THR A 96 -9.277 -12.251 -12.811 1.00 0.00 C ATOM 0 H THR A 96 -8.971 -10.661 -9.980 1.00 0.00 H new ATOM 0 HA THR A 96 -11.420 -11.428 -11.523 1.00 0.00 H new ATOM 0 HB THR A 96 -10.170 -13.688 -11.483 1.00 0.00 H new ATOM 0 HG1 THR A 96 -7.975 -13.570 -10.896 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.587 -12.973 -13.247 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.164 -12.171 -13.440 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.790 -11.278 -12.744 1.00 0.00 H new ATOM 1543 N LYS A 97 -11.810 -13.532 -9.707 1.00 0.00 N ATOM 1544 CA LYS A 97 -12.481 -14.214 -8.558 1.00 0.00 C ATOM 1545 C LYS A 97 -11.485 -14.360 -7.407 1.00 0.00 C ATOM 1546 O LYS A 97 -11.803 -14.104 -6.262 1.00 0.00 O ATOM 1547 CB LYS A 97 -12.955 -15.601 -8.991 1.00 0.00 C ATOM 1548 CG LYS A 97 -13.892 -15.469 -10.203 1.00 0.00 C ATOM 1549 CD LYS A 97 -15.277 -14.954 -9.770 1.00 0.00 C ATOM 1550 CE LYS A 97 -16.220 -14.896 -10.976 1.00 0.00 C ATOM 1551 NZ LYS A 97 -17.551 -14.392 -10.542 1.00 0.00 N ATOM 0 H LYS A 97 -11.771 -14.078 -10.568 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.337 -13.622 -8.234 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -12.099 -16.226 -9.246 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -13.475 -16.092 -8.168 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -13.457 -14.786 -10.932 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -13.996 -16.436 -10.695 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.694 -15.609 -9.004 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -15.182 -13.963 -9.325 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -15.805 -14.244 -11.744 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -16.321 -15.886 -11.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.191 -14.353 -11.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -17.947 -15.031 -9.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -17.447 -13.439 -10.138 1.00 0.00 H new ATOM 1565 N LYS A 98 -10.282 -14.774 -7.702 1.00 0.00 N ATOM 1566 CA LYS A 98 -9.253 -14.944 -6.637 1.00 0.00 C ATOM 1567 C LYS A 98 -8.923 -13.583 -6.017 1.00 0.00 C ATOM 1568 O LYS A 98 -8.767 -13.460 -4.818 1.00 0.00 O ATOM 1569 CB LYS A 98 -7.991 -15.616 -7.256 1.00 0.00 C ATOM 1570 CG LYS A 98 -7.539 -14.974 -8.593 1.00 0.00 C ATOM 1571 CD LYS A 98 -6.837 -16.012 -9.480 1.00 0.00 C ATOM 1572 CE LYS A 98 -5.544 -16.471 -8.796 1.00 0.00 C ATOM 1573 NZ LYS A 98 -4.872 -17.499 -9.638 1.00 0.00 N ATOM 0 H LYS A 98 -9.966 -15.004 -8.644 1.00 0.00 H new ATOM 0 HA LYS A 98 -9.630 -15.587 -5.842 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.171 -15.559 -6.540 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.197 -16.673 -7.422 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.403 -14.565 -9.117 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.864 -14.142 -8.393 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.494 -16.865 -9.651 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.613 -15.581 -10.456 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.880 -15.620 -8.643 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.767 -16.882 -7.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.995 -17.810 -9.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.506 -18.314 -9.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.645 -17.092 -10.568 1.00 0.00 H new ATOM 1587 N GLY A 99 -8.752 -12.582 -6.823 1.00 0.00 N ATOM 1588 CA GLY A 99 -8.389 -11.240 -6.266 1.00 0.00 C ATOM 1589 C GLY A 99 -9.646 -10.480 -5.808 1.00 0.00 C ATOM 1590 O GLY A 99 -9.583 -9.736 -4.875 1.00 0.00 O ATOM 0 H GLY A 99 -8.845 -12.624 -7.838 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.706 -11.363 -5.425 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.862 -10.658 -7.022 1.00 0.00 H new ATOM 1594 N ARG A 100 -10.783 -10.684 -6.421 1.00 0.00 N ATOM 1595 CA ARG A 100 -12.027 -9.954 -5.971 1.00 0.00 C ATOM 1596 C ARG A 100 -12.444 -10.468 -4.587 1.00 0.00 C ATOM 1597 O ARG A 100 -12.766 -9.693 -3.654 1.00 0.00 O ATOM 1598 CB ARG A 100 -13.158 -10.218 -6.970 1.00 0.00 C ATOM 1599 CG ARG A 100 -14.392 -9.411 -6.569 1.00 0.00 C ATOM 1600 CD ARG A 100 -15.469 -9.551 -7.647 1.00 0.00 C ATOM 1601 NE ARG A 100 -15.010 -8.891 -8.899 1.00 0.00 N ATOM 1602 CZ ARG A 100 -15.784 -8.867 -9.950 1.00 0.00 C ATOM 1603 NH1 ARG A 100 -16.960 -9.433 -9.906 1.00 0.00 N ATOM 1604 NH2 ARG A 100 -15.382 -8.279 -11.040 1.00 0.00 N ATOM 0 H ARG A 100 -10.913 -11.318 -7.209 1.00 0.00 H new ATOM 0 HA ARG A 100 -11.825 -8.884 -5.919 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -12.841 -9.942 -7.976 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -13.397 -11.281 -6.992 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -14.774 -9.764 -5.611 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -14.127 -8.362 -6.440 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -15.676 -10.605 -7.834 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -16.400 -9.099 -7.306 1.00 0.00 H new ATOM 0 HE ARG A 100 -14.088 -8.456 -8.936 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -17.273 -9.893 -9.051 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -17.566 -9.415 -10.726 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -14.463 -7.838 -11.072 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -15.986 -8.260 -11.862 1.00 0.00 H new ATOM 1618 N ASN A 101 -12.385 -11.777 -4.412 1.00 0.00 N ATOM 1619 CA ASN A 101 -12.730 -12.348 -3.090 1.00 0.00 C ATOM 1620 C ASN A 101 -11.705 -11.779 -2.136 1.00 0.00 C ATOM 1621 O ASN A 101 -12.016 -11.339 -1.054 1.00 0.00 O ATOM 1622 CB ASN A 101 -12.642 -13.881 -3.120 1.00 0.00 C ATOM 1623 CG ASN A 101 -13.865 -14.452 -3.843 1.00 0.00 C ATOM 1624 OD1 ASN A 101 -14.857 -13.774 -4.010 1.00 0.00 O ATOM 1625 ND2 ASN A 101 -13.834 -15.680 -4.285 1.00 0.00 N ATOM 0 H ASN A 101 -12.115 -12.453 -5.126 1.00 0.00 H new ATOM 0 HA ASN A 101 -13.749 -12.100 -2.794 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -11.729 -14.193 -3.627 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -12.592 -14.272 -2.104 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -14.643 -16.068 -4.770 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -13.001 -16.251 -4.145 1.00 0.00 H new ATOM 1632 N TRP A 102 -10.478 -11.666 -2.582 1.00 0.00 N ATOM 1633 CA TRP A 102 -9.466 -11.049 -1.702 1.00 0.00 C ATOM 1634 C TRP A 102 -9.917 -9.644 -1.241 1.00 0.00 C ATOM 1635 O TRP A 102 -9.929 -9.332 -0.070 1.00 0.00 O ATOM 1636 CB TRP A 102 -8.116 -10.909 -2.425 1.00 0.00 C ATOM 1637 CG TRP A 102 -7.036 -11.002 -1.387 1.00 0.00 C ATOM 1638 CD1 TRP A 102 -6.497 -12.146 -0.949 1.00 0.00 C ATOM 1639 CD2 TRP A 102 -6.439 -9.945 -0.597 1.00 0.00 C ATOM 1640 NE1 TRP A 102 -5.591 -11.870 0.059 1.00 0.00 N ATOM 1641 CE2 TRP A 102 -5.514 -10.522 0.313 1.00 0.00 C ATOM 1642 CE3 TRP A 102 -6.598 -8.550 -0.584 1.00 0.00 C ATOM 1643 CZ2 TRP A 102 -4.777 -9.738 1.211 1.00 0.00 C ATOM 1644 CZ3 TRP A 102 -5.862 -7.758 0.312 1.00 0.00 C ATOM 1645 CH2 TRP A 102 -4.958 -8.345 1.207 1.00 0.00 C ATOM 0 H TRP A 102 -10.148 -11.970 -3.498 1.00 0.00 H new ATOM 0 HA TRP A 102 -9.354 -11.704 -0.838 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -7.998 -11.694 -3.172 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -8.060 -9.956 -2.952 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -6.733 -13.131 -1.324 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -5.048 -12.579 0.552 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -7.291 -8.083 -1.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.080 -10.198 1.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -5.994 -6.686 0.311 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -4.400 -7.726 1.894 1.00 0.00 H new ATOM 1656 N LEU A 103 -10.261 -8.802 -2.196 1.00 0.00 N ATOM 1657 CA LEU A 103 -10.694 -7.399 -1.912 1.00 0.00 C ATOM 1658 C LEU A 103 -12.059 -7.395 -1.208 1.00 0.00 C ATOM 1659 O LEU A 103 -12.279 -6.650 -0.271 1.00 0.00 O ATOM 1660 CB LEU A 103 -10.836 -6.645 -3.251 1.00 0.00 C ATOM 1661 CG LEU A 103 -11.444 -5.228 -3.036 1.00 0.00 C ATOM 1662 CD1 LEU A 103 -10.571 -4.409 -2.081 1.00 0.00 C ATOM 1663 CD2 LEU A 103 -11.528 -4.496 -4.382 1.00 0.00 C ATOM 0 H LEU A 103 -10.257 -9.043 -3.187 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.954 -6.920 -1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.859 -6.556 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.470 -7.217 -3.928 1.00 0.00 H new ATOM 0 HG LEU A 103 -12.439 -5.340 -2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -11.011 -3.421 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -10.509 -4.917 -1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.571 -4.305 -2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.954 -3.504 -4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.529 -4.401 -4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.161 -5.062 -5.065 1.00 0.00 H new ATOM 1675 N HIS A 104 -12.984 -8.199 -1.654 1.00 0.00 N ATOM 1676 CA HIS A 104 -14.340 -8.207 -1.021 1.00 0.00 C ATOM 1677 C HIS A 104 -14.394 -8.960 0.323 1.00 0.00 C ATOM 1678 O HIS A 104 -15.438 -8.997 0.946 1.00 0.00 O ATOM 1679 CB HIS A 104 -15.331 -8.867 -1.987 1.00 0.00 C ATOM 1680 CG HIS A 104 -15.623 -7.937 -3.136 1.00 0.00 C ATOM 1681 ND1 HIS A 104 -16.893 -7.428 -3.374 1.00 0.00 N ATOM 1682 CD2 HIS A 104 -14.819 -7.416 -4.124 1.00 0.00 C ATOM 1683 CE1 HIS A 104 -16.818 -6.642 -4.467 1.00 0.00 C ATOM 1684 NE2 HIS A 104 -15.577 -6.603 -4.959 1.00 0.00 N ATOM 0 H HIS A 104 -12.863 -8.852 -2.429 1.00 0.00 H new ATOM 0 HA HIS A 104 -14.596 -7.168 -0.815 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -14.918 -9.804 -2.362 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -16.255 -9.113 -1.463 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -13.762 -7.609 -4.234 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -17.657 -6.110 -4.892 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -15.253 -6.085 -5.776 1.00 0.00 H new ATOM 1693 N LYS A 105 -13.331 -9.616 0.769 1.00 0.00 N ATOM 1694 CA LYS A 105 -13.417 -10.372 2.072 1.00 0.00 C ATOM 1695 C LYS A 105 -12.286 -10.010 3.038 1.00 0.00 C ATOM 1696 O LYS A 105 -12.498 -9.984 4.231 1.00 0.00 O ATOM 1697 CB LYS A 105 -13.440 -11.896 1.783 1.00 0.00 C ATOM 1698 CG LYS A 105 -14.722 -12.308 1.034 1.00 0.00 C ATOM 1699 CD LYS A 105 -14.619 -13.770 0.592 1.00 0.00 C ATOM 1700 CE LYS A 105 -14.471 -14.659 1.824 1.00 0.00 C ATOM 1701 NZ LYS A 105 -13.030 -14.759 2.188 1.00 0.00 N ATOM 0 H LYS A 105 -12.428 -9.659 0.296 1.00 0.00 H new ATOM 0 HA LYS A 105 -14.343 -10.082 2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -12.567 -12.168 1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -13.372 -12.447 2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -15.590 -12.174 1.680 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.869 -11.666 0.166 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.507 -14.055 0.028 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.764 -13.902 -0.071 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.040 -14.245 2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.877 -15.650 1.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.756 -15.760 2.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -12.455 -14.286 1.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.872 -14.301 3.108 1.00 0.00 H new ATOM 1715 N ALA A 106 -11.087 -9.778 2.564 1.00 0.00 N ATOM 1716 CA ALA A 106 -9.973 -9.452 3.569 1.00 0.00 C ATOM 1717 C ALA A 106 -9.998 -7.972 3.951 1.00 0.00 C ATOM 1718 O ALA A 106 -9.123 -7.470 4.626 1.00 0.00 O ATOM 1719 CB ALA A 106 -8.574 -9.754 2.999 1.00 0.00 C ATOM 0 H ALA A 106 -10.818 -9.793 1.580 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.160 -10.081 4.439 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -7.817 -9.508 3.744 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.505 -10.812 2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.409 -9.155 2.103 1.00 0.00 H new ATOM 1725 N ASN A 107 -10.966 -7.284 3.483 1.00 0.00 N ATOM 1726 CA ASN A 107 -11.078 -5.822 3.752 1.00 0.00 C ATOM 1727 C ASN A 107 -10.961 -5.514 5.256 1.00 0.00 C ATOM 1728 O ASN A 107 -10.706 -4.387 5.630 1.00 0.00 O ATOM 1729 CB ASN A 107 -12.434 -5.323 3.235 1.00 0.00 C ATOM 1730 CG ASN A 107 -13.567 -6.112 3.910 1.00 0.00 C ATOM 1731 OD1 ASN A 107 -13.313 -7.003 4.697 1.00 0.00 O ATOM 1732 ND2 ASN A 107 -14.808 -5.827 3.630 1.00 0.00 N ATOM 0 H ASN A 107 -11.715 -7.668 2.907 1.00 0.00 H new ATOM 0 HA ASN A 107 -10.261 -5.314 3.240 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -12.544 -4.259 3.443 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -12.488 -5.443 2.153 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -15.564 -6.351 4.071 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -15.023 -5.080 2.970 1.00 0.00 H new ATOM 1739 N THR A 108 -11.124 -6.482 6.132 1.00 0.00 N ATOM 1740 CA THR A 108 -10.995 -6.167 7.595 1.00 0.00 C ATOM 1741 C THR A 108 -9.507 -6.046 7.974 1.00 0.00 C ATOM 1742 O THR A 108 -8.914 -4.994 7.840 1.00 0.00 O ATOM 1743 CB THR A 108 -11.636 -7.294 8.403 1.00 0.00 C ATOM 1744 OG1 THR A 108 -11.212 -8.547 7.886 1.00 0.00 O ATOM 1745 CG2 THR A 108 -13.160 -7.187 8.310 1.00 0.00 C ATOM 0 H THR A 108 -11.336 -7.454 5.905 1.00 0.00 H new ATOM 0 HA THR A 108 -11.495 -5.223 7.811 1.00 0.00 H new ATOM 0 HB THR A 108 -11.332 -7.212 9.447 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.621 -9.270 8.405 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.617 -7.991 8.887 1.00 0.00 H new ATOM 0 HG22 THR A 108 -13.482 -6.225 8.710 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.467 -7.268 7.267 1.00 0.00 H new ATOM 1753 N GLU A 109 -8.887 -7.112 8.422 1.00 0.00 N ATOM 1754 CA GLU A 109 -7.472 -7.056 8.785 1.00 0.00 C ATOM 1755 C GLU A 109 -6.797 -8.365 8.347 1.00 0.00 C ATOM 1756 O GLU A 109 -6.435 -9.189 9.161 1.00 0.00 O ATOM 1757 CB GLU A 109 -7.423 -6.922 10.310 1.00 0.00 C ATOM 1758 CG GLU A 109 -7.925 -5.531 10.740 1.00 0.00 C ATOM 1759 CD GLU A 109 -7.883 -5.387 12.265 1.00 0.00 C ATOM 1760 OE1 GLU A 109 -7.475 -6.329 12.921 1.00 0.00 O ATOM 1761 OE2 GLU A 109 -8.246 -4.328 12.751 1.00 0.00 O ATOM 0 H GLU A 109 -9.326 -8.024 8.547 1.00 0.00 H new ATOM 0 HA GLU A 109 -6.957 -6.224 8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -8.037 -7.696 10.770 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -6.403 -7.073 10.663 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -7.309 -4.758 10.280 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -8.944 -5.381 10.384 1.00 0.00 H new ATOM 1768 N SER A 110 -6.616 -8.565 7.070 1.00 0.00 N ATOM 1769 CA SER A 110 -5.953 -9.823 6.619 1.00 0.00 C ATOM 1770 C SER A 110 -4.916 -9.450 5.565 1.00 0.00 C ATOM 1771 O SER A 110 -5.253 -9.066 4.473 1.00 0.00 O ATOM 1772 CB SER A 110 -6.995 -10.760 6.002 1.00 0.00 C ATOM 1773 OG SER A 110 -7.715 -11.410 7.040 1.00 0.00 O ATOM 0 H SER A 110 -6.894 -7.922 6.328 1.00 0.00 H new ATOM 0 HA SER A 110 -5.480 -10.329 7.461 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.679 -10.195 5.368 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.506 -11.498 5.366 1.00 0.00 H new ATOM 0 HG SER A 110 -8.384 -12.009 6.648 1.00 0.00 H new ATOM 1779 N GLN A 111 -3.654 -9.529 5.910 1.00 0.00 N ATOM 1780 CA GLN A 111 -2.563 -9.154 4.949 1.00 0.00 C ATOM 1781 C GLN A 111 -1.661 -10.366 4.734 1.00 0.00 C ATOM 1782 O GLN A 111 -0.815 -10.602 5.556 1.00 0.00 O ATOM 1783 CB GLN A 111 -1.723 -8.052 5.591 1.00 0.00 C ATOM 1784 CG GLN A 111 -1.677 -8.219 7.121 1.00 0.00 C ATOM 1785 CD GLN A 111 -2.979 -7.727 7.758 1.00 0.00 C ATOM 1786 OE1 GLN A 111 -3.470 -6.668 7.420 1.00 0.00 O ATOM 1787 NE2 GLN A 111 -3.566 -8.455 8.663 1.00 0.00 N ATOM 0 H GLN A 111 -3.327 -9.840 6.825 1.00 0.00 H new ATOM 0 HA GLN A 111 -2.990 -8.822 4.002 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -0.711 -8.079 5.187 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -2.141 -7.077 5.340 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -1.517 -9.267 7.373 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -0.834 -7.661 7.528 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -3.155 -9.344 8.948 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -4.437 -8.137 9.088 1.00 0.00 H new ATOM 1796 N SER A 112 -1.779 -11.124 3.641 1.00 0.00 N ATOM 1797 CA SER A 112 -0.834 -12.292 3.494 1.00 0.00 C ATOM 1798 C SER A 112 -0.593 -12.563 1.996 1.00 0.00 C ATOM 1799 O SER A 112 -1.483 -12.838 1.220 1.00 0.00 O ATOM 1800 CB SER A 112 -1.491 -13.516 4.147 1.00 0.00 C ATOM 1801 OG SER A 112 -1.933 -13.193 5.453 1.00 0.00 O ATOM 0 H SER A 112 -2.453 -10.989 2.887 1.00 0.00 H new ATOM 0 HA SER A 112 0.122 -12.080 3.972 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.333 -13.852 3.542 1.00 0.00 H new ATOM 0 HB3 SER A 112 -0.780 -14.341 4.189 1.00 0.00 H new ATOM 0 HG SER A 112 -2.352 -13.980 5.860 1.00 0.00 H new ATOM 1807 N LEU A 113 0.655 -12.531 1.645 1.00 0.00 N ATOM 1808 CA LEU A 113 1.164 -12.812 0.272 1.00 0.00 C ATOM 1809 C LEU A 113 2.679 -12.827 0.478 1.00 0.00 C ATOM 1810 O LEU A 113 3.259 -11.763 0.573 1.00 0.00 O ATOM 1811 CB LEU A 113 0.791 -11.647 -0.697 1.00 0.00 C ATOM 1812 CG LEU A 113 1.278 -11.861 -2.140 1.00 0.00 C ATOM 1813 CD1 LEU A 113 0.940 -13.274 -2.623 1.00 0.00 C ATOM 1814 CD2 LEU A 113 0.633 -10.827 -3.074 1.00 0.00 C ATOM 0 H LEU A 113 1.400 -12.304 2.304 1.00 0.00 H new ATOM 0 HA LEU A 113 0.758 -13.728 -0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.292 -11.524 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.215 -10.719 -0.314 1.00 0.00 H new ATOM 0 HG LEU A 113 2.361 -11.736 -2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 113 1.294 -13.403 -3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.425 -14.005 -1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -0.140 -13.421 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.985 -10.988 -4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.451 -10.935 -3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.907 -9.823 -2.750 1.00 0.00 H new ATOM 1826 N ILE A 114 3.385 -13.921 0.343 1.00 0.00 N ATOM 1827 CA ILE A 114 4.862 -13.737 0.439 1.00 0.00 C ATOM 1828 C ILE A 114 4.977 -13.362 -1.044 1.00 0.00 C ATOM 1829 O ILE A 114 4.334 -13.994 -1.851 1.00 0.00 O ATOM 1830 CB ILE A 114 5.568 -15.060 0.883 1.00 0.00 C ATOM 1831 CG1 ILE A 114 5.113 -15.453 2.299 1.00 0.00 C ATOM 1832 CG2 ILE A 114 7.079 -14.914 0.881 1.00 0.00 C ATOM 1833 CD1 ILE A 114 5.546 -16.890 2.625 1.00 0.00 C ATOM 0 H ILE A 114 3.037 -14.866 0.182 1.00 0.00 H new ATOM 0 HA ILE A 114 5.306 -13.044 1.154 1.00 0.00 H new ATOM 0 HB ILE A 114 5.288 -15.833 0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.539 -14.764 3.028 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.029 -15.367 2.376 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.536 -15.853 1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.419 -14.663 -0.124 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.369 -14.121 1.571 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.215 -17.150 3.631 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.098 -17.577 1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.632 -16.964 2.570 1.00 0.00 H new ATOM 1845 N LEU A 115 5.563 -12.228 -1.413 1.00 0.00 N ATOM 1846 CA LEU A 115 5.500 -11.860 -2.894 1.00 0.00 C ATOM 1847 C LEU A 115 6.707 -12.157 -3.767 1.00 0.00 C ATOM 1848 O LEU A 115 7.839 -12.364 -3.328 1.00 0.00 O ATOM 1849 CB LEU A 115 5.360 -10.335 -2.940 1.00 0.00 C ATOM 1850 CG LEU A 115 4.074 -9.829 -2.183 1.00 0.00 C ATOM 1851 CD1 LEU A 115 3.178 -8.687 -1.626 1.00 0.00 C ATOM 1852 CD2 LEU A 115 4.963 -9.234 -3.289 1.00 0.00 C ATOM 0 H LEU A 115 6.053 -11.575 -0.801 1.00 0.00 H new ATOM 0 HA LEU A 115 4.688 -12.469 -3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.244 -9.878 -2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.320 -10.007 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 115 3.446 -10.443 -1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.302 -9.116 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.744 -8.100 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.859 -8.043 -2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.581 -8.254 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.983 -9.132 -2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.956 -9.894 -4.156 1.00 0.00 H new ATOM 1864 N GLN A 116 6.450 -11.975 -5.011 1.00 0.00 N ATOM 1865 CA GLN A 116 7.470 -12.125 -6.030 1.00 0.00 C ATOM 1866 C GLN A 116 8.383 -10.955 -5.756 1.00 0.00 C ATOM 1867 O GLN A 116 7.822 -9.935 -5.503 1.00 0.00 O ATOM 1868 CB GLN A 116 6.823 -11.822 -7.380 1.00 0.00 C ATOM 1869 CG GLN A 116 7.876 -11.805 -8.493 1.00 0.00 C ATOM 1870 CD GLN A 116 7.192 -11.705 -9.858 1.00 0.00 C ATOM 1871 OE1 GLN A 116 6.359 -12.523 -10.194 1.00 0.00 O ATOM 1872 NE2 GLN A 116 7.504 -10.727 -10.660 1.00 0.00 N ATOM 0 H GLN A 116 5.531 -11.717 -5.370 1.00 0.00 H new ATOM 0 HA GLN A 116 7.946 -13.106 -6.031 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.064 -12.572 -7.602 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.316 -10.858 -7.338 1.00 0.00 H new ATOM 0 HG2 GLN A 116 8.552 -10.961 -8.353 1.00 0.00 H new ATOM 0 HG3 GLN A 116 8.482 -12.710 -8.446 1.00 0.00 H new ATOM 0 HE21 GLN A 116 8.203 -10.040 -10.378 1.00 0.00 H new ATOM 0 HE22 GLN A 116 7.049 -10.648 -11.569 1.00 0.00 H new ATOM 1881 N ALA A 117 9.687 -11.030 -5.796 1.00 0.00 N ATOM 1882 CA ALA A 117 10.494 -9.782 -5.533 1.00 0.00 C ATOM 1883 C ALA A 117 10.354 -8.772 -6.703 1.00 0.00 C ATOM 1884 O ALA A 117 10.151 -9.174 -7.831 1.00 0.00 O ATOM 1885 CB ALA A 117 11.975 -10.128 -5.382 1.00 0.00 C ATOM 0 H ALA A 117 10.225 -11.874 -5.993 1.00 0.00 H new ATOM 0 HA ALA A 117 10.113 -9.336 -4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 117 12.544 -9.218 -5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 117 12.104 -10.817 -4.547 1.00 0.00 H new ATOM 0 HB3 ALA A 117 12.334 -10.597 -6.298 1.00 0.00 H new ATOM 1891 N ASN A 118 10.428 -7.477 -6.455 1.00 0.00 N ATOM 1892 CA ASN A 118 10.279 -6.480 -7.558 1.00 0.00 C ATOM 1893 C ASN A 118 11.575 -6.435 -8.361 1.00 0.00 C ATOM 1894 O ASN A 118 12.661 -6.578 -7.835 1.00 0.00 O ATOM 1895 CB ASN A 118 10.018 -5.067 -7.000 1.00 0.00 C ATOM 1896 CG ASN A 118 9.644 -5.095 -5.513 1.00 0.00 C ATOM 1897 OD1 ASN A 118 10.182 -5.873 -4.752 1.00 0.00 O ATOM 1898 ND2 ASN A 118 8.727 -4.265 -5.062 1.00 0.00 N ATOM 0 H ASN A 118 10.586 -7.074 -5.531 1.00 0.00 H new ATOM 0 HA ASN A 118 9.435 -6.782 -8.179 1.00 0.00 H new ATOM 0 HB2 ASN A 118 10.908 -4.453 -7.138 1.00 0.00 H new ATOM 0 HB3 ASN A 118 9.215 -4.596 -7.567 1.00 0.00 H new ATOM 0 HD21 ASN A 118 8.470 -4.276 -4.075 1.00 0.00 H new ATOM 0 HD22 ASN A 118 8.274 -3.610 -5.700 1.00 0.00 H new ATOM 1905 N GLU A 119 11.461 -6.250 -9.632 1.00 0.00 N ATOM 1906 CA GLU A 119 12.671 -6.199 -10.489 1.00 0.00 C ATOM 1907 C GLU A 119 13.659 -5.108 -10.026 1.00 0.00 C ATOM 1908 O GLU A 119 14.836 -5.378 -9.892 1.00 0.00 O ATOM 1909 CB GLU A 119 12.241 -5.941 -11.934 1.00 0.00 C ATOM 1910 CG GLU A 119 11.249 -4.765 -11.996 1.00 0.00 C ATOM 1911 CD GLU A 119 10.770 -4.561 -13.439 1.00 0.00 C ATOM 1912 OE1 GLU A 119 10.572 -5.549 -14.122 1.00 0.00 O ATOM 1913 OE2 GLU A 119 10.613 -3.416 -13.831 1.00 0.00 O ATOM 0 H GLU A 119 10.576 -6.130 -10.125 1.00 0.00 H new ATOM 0 HA GLU A 119 13.189 -7.155 -10.413 1.00 0.00 H new ATOM 0 HB2 GLU A 119 13.115 -5.721 -12.547 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.779 -6.837 -12.348 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.397 -4.962 -11.345 1.00 0.00 H new ATOM 0 HG3 GLU A 119 11.726 -3.856 -11.630 1.00 0.00 H new ATOM 1920 N GLU A 120 13.236 -3.879 -9.808 1.00 0.00 N ATOM 1921 CA GLU A 120 14.252 -2.851 -9.382 1.00 0.00 C ATOM 1922 C GLU A 120 14.314 -2.814 -7.859 1.00 0.00 C ATOM 1923 O GLU A 120 13.569 -2.095 -7.225 1.00 0.00 O ATOM 1924 CB GLU A 120 13.876 -1.429 -9.917 1.00 0.00 C ATOM 1925 CG GLU A 120 13.959 -1.319 -11.480 1.00 0.00 C ATOM 1926 CD GLU A 120 13.484 0.037 -11.933 1.00 0.00 C ATOM 1927 OE1 GLU A 120 13.149 0.806 -11.073 1.00 0.00 O ATOM 1928 OE2 GLU A 120 13.457 0.281 -13.129 1.00 0.00 O ATOM 0 H GLU A 120 12.274 -3.551 -9.901 1.00 0.00 H new ATOM 0 HA GLU A 120 15.221 -3.129 -9.797 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.865 -1.181 -9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 120 14.543 -0.691 -9.471 1.00 0.00 H new ATOM 0 HG2 GLU A 120 14.985 -1.481 -11.809 1.00 0.00 H new ATOM 0 HG3 GLU A 120 13.350 -2.098 -11.939 1.00 0.00 H new ATOM 1935 N LEU A 121 15.198 -3.565 -7.248 1.00 0.00 N ATOM 1936 CA LEU A 121 15.251 -3.527 -5.735 1.00 0.00 C ATOM 1937 C LEU A 121 16.248 -2.478 -5.212 1.00 0.00 C ATOM 1938 O LEU A 121 16.162 -2.052 -4.076 1.00 0.00 O ATOM 1939 CB LEU A 121 15.594 -4.944 -5.205 1.00 0.00 C ATOM 1940 CG LEU A 121 14.612 -5.996 -5.765 1.00 0.00 C ATOM 1941 CD1 LEU A 121 15.023 -7.392 -5.303 1.00 0.00 C ATOM 1942 CD2 LEU A 121 13.198 -5.695 -5.260 1.00 0.00 C ATOM 0 H LEU A 121 15.868 -4.185 -7.703 1.00 0.00 H new ATOM 0 HA LEU A 121 14.272 -3.226 -5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 121 16.613 -5.205 -5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 121 15.555 -4.948 -4.116 1.00 0.00 H new ATOM 0 HG LEU A 121 14.632 -5.956 -6.854 1.00 0.00 H new ATOM 0 HD11 LEU A 121 14.325 -8.128 -5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.028 -7.613 -5.662 1.00 0.00 H new ATOM 0 HD13 LEU A 121 15.010 -7.433 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 121 12.505 -6.437 -5.655 1.00 0.00 H new ATOM 0 HD22 LEU A 121 13.185 -5.730 -4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.896 -4.702 -5.594 1.00 0.00 H new