USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 803 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 75 ASN : amide:sc= -0.331 X(o=-0.33,f=-0.32) USER MOD Set 1.2: A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 177:sc= -0.89 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.831 K(o=0.83,f=-3.8!) USER MOD Single : A 33 LYS NZ :NH3+ 150:sc= -0.157 (180deg=-1.26!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.755 K(o=-0.75,f=-1.9!) USER MOD Single : A 52 ASN : amide:sc= -1.56! C(o=-1.6!,f=-5.3!) USER MOD Single : A 53 HIS : no HD1:sc= -3.28! C(o=-3.3!,f=-3.3!) USER MOD Single : A 54 LYS NZ :NH3+ -134:sc= -0.0844 (180deg=-1.03) USER MOD Single : A 55 ASN : amide:sc= -0.667 K(o=-0.67,f=-1.4) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.426 K(o=-0.43,f=-4.5!) USER MOD Single : A 59 MET CE :methyl 156:sc= -2.9 (180deg=-3.97!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0483 USER MOD Single : A 61 TYR OH : rot 180:sc= -0.213 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -134:sc= -1.15 (180deg=-4.88!) USER MOD Single : A 65 SER OG : rot -40:sc= 0.012 USER MOD Single : A 70 HIS : no HD1:sc= -0.32 X(o=-0.32,f=0.067) USER MOD Single : A 71 TYR OH : rot 152:sc= -0.117 USER MOD Single : A 72 TYR OH : rot -59:sc= 0.149 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 140:sc= 0.844 (180deg=0.0209) USER MOD Single : A 83 GLN : amide:sc= -2.39 X(o=-2.4,f=-2.1!) USER MOD Single : A 91 LYS NZ :NH3+ -132:sc= -1.5! (180deg=-3.96!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -126:sc= 1.25 USER MOD Single : A 110 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 101 N LEU A 10 -10.165 11.174 10.594 1.00 0.00 N ATOM 102 CA LEU A 10 -8.719 11.072 10.757 1.00 0.00 C ATOM 103 C LEU A 10 -8.116 10.148 9.703 1.00 0.00 C ATOM 104 O LEU A 10 -8.781 9.238 9.207 1.00 0.00 O ATOM 105 CB LEU A 10 -8.378 10.559 12.157 1.00 0.00 C ATOM 106 CG LEU A 10 -8.414 11.597 13.280 1.00 0.00 C ATOM 107 CD1 LEU A 10 -8.408 10.913 14.638 1.00 0.00 C ATOM 108 CD2 LEU A 10 -7.238 12.555 13.157 1.00 0.00 C ATOM 0 HA LEU A 10 -8.293 12.067 10.628 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.073 9.758 12.408 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.381 10.119 12.128 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.336 12.172 13.190 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.434 11.667 15.425 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.282 10.268 14.724 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.503 10.313 14.739 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.279 13.287 13.964 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.305 11.996 13.222 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.287 13.070 12.197 1.00 0.00 H new ATOM 120 N LEU A 11 -6.853 10.387 9.368 1.00 0.00 N ATOM 121 CA LEU A 11 -6.159 9.575 8.375 1.00 0.00 C ATOM 122 C LEU A 11 -5.583 8.313 9.009 1.00 0.00 C ATOM 123 O LEU A 11 -6.046 7.205 8.741 1.00 0.00 O ATOM 124 CB LEU A 11 -5.040 10.385 7.717 1.00 0.00 C ATOM 125 CG LEU A 11 -4.021 9.586 6.905 1.00 0.00 C ATOM 126 CD1 LEU A 11 -4.704 8.863 5.754 1.00 0.00 C ATOM 127 CD2 LEU A 11 -2.919 10.498 6.386 1.00 0.00 C ATOM 0 H LEU A 11 -6.289 11.136 9.769 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.882 9.280 7.614 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.494 11.128 7.062 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.507 10.930 8.496 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.569 8.840 7.559 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.963 8.300 5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.456 8.179 6.149 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.184 9.591 5.100 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.203 9.912 5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.354 11.268 5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.410 10.969 7.227 1.00 0.00 H new ATOM 139 N TRP A 12 -4.573 8.490 9.853 1.00 0.00 N ATOM 140 CA TRP A 12 -3.935 7.365 10.527 1.00 0.00 C ATOM 141 C TRP A 12 -4.950 6.272 10.841 1.00 0.00 C ATOM 142 O TRP A 12 -4.666 5.084 10.683 1.00 0.00 O ATOM 143 CB TRP A 12 -3.258 7.834 11.816 1.00 0.00 C ATOM 144 CG TRP A 12 -4.188 7.889 12.990 1.00 0.00 C ATOM 145 CD1 TRP A 12 -5.225 8.759 13.174 1.00 0.00 C ATOM 146 CD2 TRP A 12 -4.165 7.041 14.143 1.00 0.00 C ATOM 147 NE1 TRP A 12 -5.848 8.502 14.371 1.00 0.00 N ATOM 148 CE2 TRP A 12 -5.217 7.452 14.984 1.00 0.00 C ATOM 149 CE3 TRP A 12 -3.360 5.972 14.545 1.00 0.00 C ATOM 150 CZ2 TRP A 12 -5.481 6.832 16.203 1.00 0.00 C ATOM 151 CZ3 TRP A 12 -3.623 5.358 15.754 1.00 0.00 C ATOM 152 CH2 TRP A 12 -4.677 5.789 16.571 1.00 0.00 C ATOM 0 H TRP A 12 -4.178 9.401 10.087 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.180 6.953 9.857 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.431 7.163 12.048 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.830 8.823 11.654 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.513 9.535 12.480 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.650 9.010 14.743 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -2.546 5.632 13.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.292 7.163 16.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -3.006 4.532 16.075 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.858 5.287 17.510 1.00 0.00 H new ATOM 163 N ASP A 13 -6.134 6.679 11.284 1.00 0.00 N ATOM 164 CA ASP A 13 -7.192 5.734 11.619 1.00 0.00 C ATOM 165 C ASP A 13 -7.828 5.161 10.356 1.00 0.00 C ATOM 166 O ASP A 13 -8.042 3.953 10.249 1.00 0.00 O ATOM 167 CB ASP A 13 -8.260 6.413 12.479 1.00 0.00 C ATOM 168 CG ASP A 13 -9.178 5.415 13.157 1.00 0.00 C ATOM 169 OD1 ASP A 13 -8.809 4.224 13.231 1.00 0.00 O ATOM 170 OD2 ASP A 13 -10.265 5.825 13.614 1.00 0.00 O ATOM 0 H ASP A 13 -6.385 7.658 11.420 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.748 4.915 12.185 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.775 7.029 13.236 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.853 7.082 11.856 1.00 0.00 H new ATOM 175 N TYR A 14 -8.128 6.035 9.402 1.00 0.00 N ATOM 176 CA TYR A 14 -8.742 5.616 8.147 1.00 0.00 C ATOM 177 C TYR A 14 -8.135 4.307 7.654 1.00 0.00 C ATOM 178 O TYR A 14 -8.773 3.550 6.922 1.00 0.00 O ATOM 179 CB TYR A 14 -8.572 6.703 7.084 1.00 0.00 C ATOM 180 CG TYR A 14 -8.763 6.202 5.671 1.00 0.00 C ATOM 181 CD1 TYR A 14 -10.032 5.923 5.178 1.00 0.00 C ATOM 182 CD2 TYR A 14 -7.676 6.008 4.828 1.00 0.00 C ATOM 183 CE1 TYR A 14 -10.212 5.464 3.887 1.00 0.00 C ATOM 184 CE2 TYR A 14 -7.846 5.552 3.535 1.00 0.00 C ATOM 185 CZ TYR A 14 -9.116 5.281 3.070 1.00 0.00 C ATOM 186 OH TYR A 14 -9.290 4.825 1.783 1.00 0.00 O ATOM 0 H TYR A 14 -7.956 7.038 9.473 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.805 5.457 8.327 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -9.287 7.503 7.277 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.576 7.136 7.175 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.892 6.067 5.815 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.680 6.217 5.190 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.205 5.250 3.520 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -6.990 5.409 2.892 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.424 4.797 1.326 1.00 0.00 H new ATOM 196 N VAL A 15 -6.897 4.045 8.061 1.00 0.00 N ATOM 197 CA VAL A 15 -6.202 2.827 7.662 1.00 0.00 C ATOM 198 C VAL A 15 -6.968 1.587 8.110 1.00 0.00 C ATOM 199 O VAL A 15 -7.485 0.832 7.286 1.00 0.00 O ATOM 200 CB VAL A 15 -4.778 2.776 8.246 1.00 0.00 C ATOM 201 CG1 VAL A 15 -4.040 1.543 7.748 1.00 0.00 C ATOM 202 CG2 VAL A 15 -4.013 4.044 7.894 1.00 0.00 C ATOM 0 H VAL A 15 -6.355 4.660 8.667 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.140 2.840 6.574 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.851 2.712 9.332 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.036 1.524 8.171 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.580 0.647 8.055 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.975 1.573 6.660 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.009 3.992 8.314 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.948 4.141 6.810 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.534 4.909 8.305 1.00 0.00 H new ATOM 212 N TYR A 16 -7.037 1.382 9.421 1.00 0.00 N ATOM 213 CA TYR A 16 -7.738 0.232 9.979 1.00 0.00 C ATOM 214 C TYR A 16 -9.049 -0.017 9.241 1.00 0.00 C ATOM 215 O TYR A 16 -9.268 -1.096 8.691 1.00 0.00 O ATOM 216 CB TYR A 16 -8.010 0.449 11.469 1.00 0.00 C ATOM 217 CG TYR A 16 -8.055 -0.834 12.269 1.00 0.00 C ATOM 218 CD1 TYR A 16 -6.895 -1.550 12.536 1.00 0.00 C ATOM 219 CD2 TYR A 16 -9.258 -1.330 12.756 1.00 0.00 C ATOM 220 CE1 TYR A 16 -6.931 -2.722 13.266 1.00 0.00 C ATOM 221 CE2 TYR A 16 -9.303 -2.500 13.488 1.00 0.00 C ATOM 222 CZ TYR A 16 -8.137 -3.193 13.740 1.00 0.00 C ATOM 223 OH TYR A 16 -8.178 -4.360 14.468 1.00 0.00 O ATOM 0 H TYR A 16 -6.616 1.997 10.117 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.102 -0.645 9.857 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.236 1.097 11.881 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.959 0.973 11.584 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.949 -1.184 12.166 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -10.173 -0.791 12.559 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.020 -3.266 13.464 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -10.246 -2.871 13.861 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.103 -4.551 14.728 1.00 0.00 H new ATOM 233 N GLN A 17 -9.918 0.989 9.235 1.00 0.00 N ATOM 234 CA GLN A 17 -11.208 0.880 8.565 1.00 0.00 C ATOM 235 C GLN A 17 -11.080 0.101 7.260 1.00 0.00 C ATOM 236 O GLN A 17 -11.980 -0.649 6.882 1.00 0.00 O ATOM 237 CB GLN A 17 -11.783 2.270 8.289 1.00 0.00 C ATOM 238 CG GLN A 17 -12.288 2.979 9.535 1.00 0.00 C ATOM 239 CD GLN A 17 -12.623 4.436 9.283 1.00 0.00 C ATOM 240 OE1 GLN A 17 -11.961 5.335 9.801 1.00 0.00 O ATOM 241 NE2 GLN A 17 -13.655 4.676 8.483 1.00 0.00 N ATOM 0 H GLN A 17 -9.752 1.888 9.687 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.886 0.339 9.225 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.016 2.884 7.818 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.602 2.180 7.575 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -13.175 2.465 9.906 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.531 2.914 10.317 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -14.176 3.899 8.075 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -13.927 5.637 8.276 1.00 0.00 H new ATOM 250 N LEU A 18 -9.956 0.284 6.576 1.00 0.00 N ATOM 251 CA LEU A 18 -9.709 -0.402 5.312 1.00 0.00 C ATOM 252 C LEU A 18 -9.251 -1.837 5.552 1.00 0.00 C ATOM 253 O LEU A 18 -9.870 -2.786 5.069 1.00 0.00 O ATOM 254 CB LEU A 18 -8.657 0.352 4.497 1.00 0.00 C ATOM 255 CG LEU A 18 -9.039 1.764 4.051 1.00 0.00 C ATOM 256 CD1 LEU A 18 -7.833 2.483 3.466 1.00 0.00 C ATOM 257 CD2 LEU A 18 -10.175 1.715 3.040 1.00 0.00 C ATOM 0 H LEU A 18 -9.201 0.901 6.875 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.644 -0.427 4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.744 0.414 5.089 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.423 -0.237 3.610 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.380 2.320 4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.124 3.486 3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.049 2.550 4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.461 1.928 2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.434 2.729 2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.861 1.141 2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.045 1.240 3.493 1.00 0.00 H new ATOM 269 N LEU A 19 -8.165 -1.989 6.301 1.00 0.00 N ATOM 270 CA LEU A 19 -7.624 -3.309 6.607 1.00 0.00 C ATOM 271 C LEU A 19 -8.741 -4.284 6.965 1.00 0.00 C ATOM 272 O LEU A 19 -8.887 -5.333 6.338 1.00 0.00 O ATOM 273 CB LEU A 19 -6.623 -3.217 7.759 1.00 0.00 C ATOM 274 CG LEU A 19 -5.168 -2.958 7.365 1.00 0.00 C ATOM 275 CD1 LEU A 19 -4.764 -3.848 6.200 1.00 0.00 C ATOM 276 CD2 LEU A 19 -4.963 -1.492 7.014 1.00 0.00 C ATOM 0 H LEU A 19 -7.641 -1.214 6.708 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.113 -3.680 5.719 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.944 -2.420 8.430 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.665 -4.147 8.326 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.533 -3.199 8.217 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.726 -3.650 5.934 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.872 -4.894 6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.405 -3.639 5.343 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.922 -1.326 6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.609 -1.224 6.178 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.211 -0.873 7.876 1.00 0.00 H new ATOM 288 N SER A 20 -9.527 -3.930 7.976 1.00 0.00 N ATOM 289 CA SER A 20 -10.630 -4.775 8.419 1.00 0.00 C ATOM 290 C SER A 20 -11.401 -5.332 7.226 1.00 0.00 C ATOM 291 O SER A 20 -11.711 -6.522 7.174 1.00 0.00 O ATOM 292 CB SER A 20 -11.574 -3.984 9.327 1.00 0.00 C ATOM 293 OG SER A 20 -11.045 -3.869 10.636 1.00 0.00 O ATOM 0 H SER A 20 -9.421 -3.064 8.504 1.00 0.00 H new ATOM 0 HA SER A 20 -10.212 -5.610 8.981 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.738 -2.991 8.909 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.545 -4.478 9.366 1.00 0.00 H new ATOM 0 HG SER A 20 -11.666 -3.358 11.196 1.00 0.00 H new ATOM 299 N ASP A 21 -11.707 -4.462 6.270 1.00 0.00 N ATOM 300 CA ASP A 21 -12.441 -4.866 5.076 1.00 0.00 C ATOM 301 C ASP A 21 -11.491 -5.405 4.011 1.00 0.00 C ATOM 302 O ASP A 21 -10.731 -4.651 3.403 1.00 0.00 O ATOM 303 CB ASP A 21 -13.236 -3.685 4.517 1.00 0.00 C ATOM 304 CG ASP A 21 -14.487 -3.396 5.323 1.00 0.00 C ATOM 305 OD1 ASP A 21 -15.424 -4.222 5.280 1.00 0.00 O ATOM 306 OD2 ASP A 21 -14.530 -2.346 5.996 1.00 0.00 O ATOM 0 H ASP A 21 -11.459 -3.473 6.298 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.133 -5.660 5.356 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.603 -2.798 4.504 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.513 -3.894 3.484 1.00 0.00 H new ATOM 311 N SER A 22 -11.540 -6.715 3.791 1.00 0.00 N ATOM 312 CA SER A 22 -10.680 -7.357 2.803 1.00 0.00 C ATOM 313 C SER A 22 -10.918 -6.771 1.414 1.00 0.00 C ATOM 314 O SER A 22 -10.007 -6.716 0.588 1.00 0.00 O ATOM 315 CB SER A 22 -10.930 -8.866 2.782 1.00 0.00 C ATOM 316 OG SER A 22 -10.424 -9.483 3.953 1.00 0.00 O ATOM 0 H SER A 22 -12.166 -7.353 4.283 1.00 0.00 H new ATOM 0 HA SER A 22 -9.643 -7.172 3.084 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.999 -9.059 2.698 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.457 -9.304 1.903 1.00 0.00 H new ATOM 0 HG SER A 22 -10.598 -10.447 3.916 1.00 0.00 H new ATOM 322 N ARG A 23 -12.149 -6.335 1.166 1.00 0.00 N ATOM 323 CA ARG A 23 -12.508 -5.755 -0.123 1.00 0.00 C ATOM 324 C ARG A 23 -11.555 -4.622 -0.493 1.00 0.00 C ATOM 325 O ARG A 23 -11.490 -4.206 -1.650 1.00 0.00 O ATOM 326 CB ARG A 23 -13.946 -5.235 -0.089 1.00 0.00 C ATOM 327 CG ARG A 23 -14.993 -6.336 -0.149 1.00 0.00 C ATOM 328 CD ARG A 23 -16.287 -5.912 0.528 1.00 0.00 C ATOM 329 NE ARG A 23 -17.290 -6.973 0.504 1.00 0.00 N ATOM 330 CZ ARG A 23 -18.552 -6.799 0.881 1.00 0.00 C ATOM 331 NH1 ARG A 23 -18.963 -5.613 1.308 1.00 0.00 N ATOM 332 NH2 ARG A 23 -19.406 -7.814 0.831 1.00 0.00 N ATOM 0 H ARG A 23 -12.914 -6.372 1.840 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.429 -6.536 -0.880 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.092 -4.655 0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.098 -4.555 -0.927 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.193 -6.593 -1.189 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.606 -7.234 0.333 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.081 -5.631 1.561 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.683 -5.027 0.030 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.006 -7.898 0.180 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.310 -4.831 1.348 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.933 -5.483 1.597 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.093 -8.728 0.503 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -20.375 -7.680 1.121 1.00 0.00 H new ATOM 346 N TYR A 24 -10.819 -4.128 0.496 1.00 0.00 N ATOM 347 CA TYR A 24 -9.873 -3.041 0.275 1.00 0.00 C ATOM 348 C TYR A 24 -8.435 -3.549 0.343 1.00 0.00 C ATOM 349 O TYR A 24 -7.527 -2.821 0.741 1.00 0.00 O ATOM 350 CB TYR A 24 -10.084 -1.935 1.310 1.00 0.00 C ATOM 351 CG TYR A 24 -11.446 -1.284 1.231 1.00 0.00 C ATOM 352 CD1 TYR A 24 -12.597 -1.997 1.547 1.00 0.00 C ATOM 353 CD2 TYR A 24 -11.584 0.042 0.841 1.00 0.00 C ATOM 354 CE1 TYR A 24 -13.844 -1.407 1.476 1.00 0.00 C ATOM 355 CE2 TYR A 24 -12.827 0.640 0.769 1.00 0.00 C ATOM 356 CZ TYR A 24 -13.954 -0.088 1.087 1.00 0.00 C ATOM 357 OH TYR A 24 -15.194 0.504 1.015 1.00 0.00 O ATOM 0 H TYR A 24 -10.859 -4.463 1.459 1.00 0.00 H new ATOM 0 HA TYR A 24 -10.050 -2.636 -0.721 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.947 -2.352 2.308 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.317 -1.172 1.175 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.515 -3.029 1.853 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.704 0.615 0.590 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.728 -1.975 1.724 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.916 1.673 0.465 1.00 0.00 H new ATOM 0 HH TYR A 24 -15.096 1.435 0.726 1.00 0.00 H new ATOM 367 N GLU A 25 -8.239 -4.803 -0.050 1.00 0.00 N ATOM 368 CA GLU A 25 -6.912 -5.409 -0.034 1.00 0.00 C ATOM 369 C GLU A 25 -6.039 -4.837 -1.147 1.00 0.00 C ATOM 370 O GLU A 25 -4.950 -4.324 -0.895 1.00 0.00 O ATOM 371 CB GLU A 25 -7.019 -6.928 -0.185 1.00 0.00 C ATOM 372 CG GLU A 25 -7.234 -7.657 1.131 1.00 0.00 C ATOM 373 CD GLU A 25 -7.450 -9.146 0.945 1.00 0.00 C ATOM 374 OE1 GLU A 25 -6.784 -9.738 0.071 1.00 0.00 O ATOM 375 OE2 GLU A 25 -8.286 -9.719 1.675 1.00 0.00 O ATOM 0 H GLU A 25 -8.981 -5.419 -0.383 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.447 -5.178 0.924 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.844 -7.160 -0.858 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.109 -7.303 -0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.370 -7.497 1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.097 -7.230 1.642 1.00 0.00 H new ATOM 382 N ASN A 26 -6.527 -4.930 -2.380 1.00 0.00 N ATOM 383 CA ASN A 26 -5.791 -4.423 -3.533 1.00 0.00 C ATOM 384 C ASN A 26 -5.153 -3.073 -3.220 1.00 0.00 C ATOM 385 O ASN A 26 -4.036 -2.787 -3.654 1.00 0.00 O ATOM 386 CB ASN A 26 -6.722 -4.291 -4.740 1.00 0.00 C ATOM 387 CG ASN A 26 -7.716 -5.433 -4.831 1.00 0.00 C ATOM 388 OD1 ASN A 26 -8.557 -5.610 -3.950 1.00 0.00 O ATOM 389 ND2 ASN A 26 -7.623 -6.215 -5.901 1.00 0.00 N ATOM 0 H ASN A 26 -7.428 -5.351 -2.606 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.999 -5.134 -3.769 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.263 -3.347 -4.677 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.127 -4.257 -5.653 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.265 -6.999 -6.017 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.910 -6.031 -6.607 1.00 0.00 H new ATOM 396 N PHE A 27 -5.868 -2.247 -2.464 1.00 0.00 N ATOM 397 CA PHE A 27 -5.372 -0.927 -2.092 1.00 0.00 C ATOM 398 C PHE A 27 -4.420 -1.019 -0.903 1.00 0.00 C ATOM 399 O PHE A 27 -3.352 -0.407 -0.901 1.00 0.00 O ATOM 400 CB PHE A 27 -6.539 0.004 -1.756 1.00 0.00 C ATOM 401 CG PHE A 27 -7.306 0.463 -2.963 1.00 0.00 C ATOM 402 CD1 PHE A 27 -6.706 1.270 -3.916 1.00 0.00 C ATOM 403 CD2 PHE A 27 -8.628 0.088 -3.143 1.00 0.00 C ATOM 404 CE1 PHE A 27 -7.410 1.694 -5.027 1.00 0.00 C ATOM 405 CE2 PHE A 27 -9.336 0.509 -4.253 1.00 0.00 C ATOM 406 CZ PHE A 27 -8.727 1.314 -5.196 1.00 0.00 C ATOM 0 H PHE A 27 -6.793 -2.468 -2.097 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.825 -0.519 -2.942 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.219 -0.510 -1.077 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.157 0.876 -1.225 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.677 1.571 -3.789 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -9.110 -0.540 -2.408 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.930 2.322 -5.763 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.365 0.209 -4.383 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.279 1.645 -6.063 1.00 0.00 H new ATOM 416 N ILE A 28 -4.817 -1.786 0.107 1.00 0.00 N ATOM 417 CA ILE A 28 -4.000 -1.958 1.301 1.00 0.00 C ATOM 418 C ILE A 28 -4.335 -3.265 2.013 1.00 0.00 C ATOM 419 O ILE A 28 -5.504 -3.628 2.148 1.00 0.00 O ATOM 420 CB ILE A 28 -4.188 -0.788 2.285 1.00 0.00 C ATOM 421 CG1 ILE A 28 -3.250 -0.946 3.484 1.00 0.00 C ATOM 422 CG2 ILE A 28 -5.636 -0.710 2.745 1.00 0.00 C ATOM 423 CD1 ILE A 28 -3.001 0.346 4.230 1.00 0.00 C ATOM 0 H ILE A 28 -5.699 -2.298 0.122 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.961 -1.982 0.972 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.940 0.142 1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.673 -1.678 4.172 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.297 -1.347 3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.753 0.122 3.440 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.284 -0.556 1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.910 -1.640 3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.328 0.159 5.067 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.549 1.074 3.556 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.947 0.737 4.605 1.00 0.00 H new ATOM 435 N ARG A 29 -3.302 -3.966 2.468 1.00 0.00 N ATOM 436 CA ARG A 29 -3.486 -5.232 3.166 1.00 0.00 C ATOM 437 C ARG A 29 -2.530 -5.344 4.350 1.00 0.00 C ATOM 438 O ARG A 29 -1.650 -4.503 4.531 1.00 0.00 O ATOM 439 CB ARG A 29 -3.268 -6.405 2.208 1.00 0.00 C ATOM 440 CG ARG A 29 -1.922 -6.374 1.504 1.00 0.00 C ATOM 441 CD ARG A 29 -1.867 -7.375 0.361 1.00 0.00 C ATOM 442 NE ARG A 29 -1.482 -8.707 0.818 1.00 0.00 N ATOM 443 CZ ARG A 29 -1.729 -9.819 0.134 1.00 0.00 C ATOM 444 NH1 ARG A 29 -2.357 -9.758 -1.032 1.00 0.00 N ATOM 445 NH2 ARG A 29 -1.347 -10.995 0.616 1.00 0.00 N ATOM 0 H ARG A 29 -2.329 -3.678 2.366 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.509 -5.265 3.542 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.356 -7.338 2.764 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.060 -6.404 1.459 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.734 -5.371 1.120 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.131 -6.594 2.220 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.842 -7.426 -0.123 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.156 -7.030 -0.389 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.997 -8.788 1.711 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.652 -8.856 -1.406 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.545 -10.613 -1.555 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.863 -11.046 1.513 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.537 -11.848 0.090 1.00 0.00 H new ATOM 459 N TRP A 30 -2.710 -6.388 5.152 1.00 0.00 N ATOM 460 CA TRP A 30 -1.863 -6.609 6.319 1.00 0.00 C ATOM 461 C TRP A 30 -0.572 -7.320 5.928 1.00 0.00 C ATOM 462 O TRP A 30 -0.595 -8.472 5.494 1.00 0.00 O ATOM 463 CB TRP A 30 -2.613 -7.429 7.370 1.00 0.00 C ATOM 464 CG TRP A 30 -3.522 -6.603 8.229 1.00 0.00 C ATOM 465 CD1 TRP A 30 -4.880 -6.714 8.328 1.00 0.00 C ATOM 466 CD2 TRP A 30 -3.139 -5.540 9.108 1.00 0.00 C ATOM 467 NE1 TRP A 30 -5.364 -5.783 9.216 1.00 0.00 N ATOM 468 CE2 TRP A 30 -4.316 -5.051 9.708 1.00 0.00 C ATOM 469 CE3 TRP A 30 -1.917 -4.954 9.448 1.00 0.00 C ATOM 470 CZ2 TRP A 30 -4.304 -4.005 10.627 1.00 0.00 C ATOM 471 CZ3 TRP A 30 -1.906 -3.916 10.359 1.00 0.00 C ATOM 472 CH2 TRP A 30 -3.093 -3.450 10.941 1.00 0.00 C ATOM 0 H TRP A 30 -3.434 -7.094 5.016 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.607 -5.637 6.741 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.199 -8.200 6.869 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -1.890 -7.941 8.005 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.484 -7.428 7.788 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.344 -5.658 9.468 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.997 -5.307 9.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.218 -3.645 11.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.967 -3.455 10.628 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -3.051 -2.637 11.651 1.00 0.00 H new ATOM 483 N GLU A 31 0.551 -6.627 6.084 1.00 0.00 N ATOM 484 CA GLU A 31 1.851 -7.195 5.746 1.00 0.00 C ATOM 485 C GLU A 31 2.242 -8.288 6.736 1.00 0.00 C ATOM 486 O GLU A 31 2.449 -9.440 6.355 1.00 0.00 O ATOM 487 CB GLU A 31 2.921 -6.101 5.729 1.00 0.00 C ATOM 488 CG GLU A 31 2.777 -5.126 4.573 1.00 0.00 C ATOM 489 CD GLU A 31 3.027 -5.778 3.226 1.00 0.00 C ATOM 490 OE1 GLU A 31 4.195 -6.113 2.937 1.00 0.00 O ATOM 491 OE2 GLU A 31 2.055 -5.952 2.463 1.00 0.00 O ATOM 0 H GLU A 31 0.587 -5.673 6.442 1.00 0.00 H new ATOM 0 HA GLU A 31 1.778 -7.638 4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.878 -5.548 6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.905 -6.568 5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.774 -4.699 4.585 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.476 -4.301 4.709 1.00 0.00 H new ATOM 498 N ASP A 32 2.341 -7.918 8.008 1.00 0.00 N ATOM 499 CA ASP A 32 2.706 -8.867 9.054 1.00 0.00 C ATOM 500 C ASP A 32 1.791 -8.718 10.266 1.00 0.00 C ATOM 501 O ASP A 32 2.128 -8.034 11.232 1.00 0.00 O ATOM 502 CB ASP A 32 4.163 -8.663 9.471 1.00 0.00 C ATOM 503 CG ASP A 32 5.127 -9.466 8.621 1.00 0.00 C ATOM 504 OD1 ASP A 32 5.409 -10.628 8.982 1.00 0.00 O ATOM 505 OD2 ASP A 32 5.599 -8.934 7.594 1.00 0.00 O ATOM 0 H ASP A 32 2.174 -6.968 8.340 1.00 0.00 H new ATOM 0 HA ASP A 32 2.588 -9.874 8.654 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.414 -7.605 9.398 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.282 -8.947 10.517 1.00 0.00 H new ATOM 510 N LYS A 33 0.631 -9.363 10.208 1.00 0.00 N ATOM 511 CA LYS A 33 -0.334 -9.304 11.299 1.00 0.00 C ATOM 512 C LYS A 33 0.351 -9.532 12.643 1.00 0.00 C ATOM 513 O LYS A 33 -0.104 -9.036 13.673 1.00 0.00 O ATOM 514 CB LYS A 33 -1.434 -10.347 11.092 1.00 0.00 C ATOM 515 CG LYS A 33 -2.552 -9.878 10.177 1.00 0.00 C ATOM 516 CD LYS A 33 -3.419 -8.826 10.848 1.00 0.00 C ATOM 517 CE LYS A 33 -4.569 -9.459 11.616 1.00 0.00 C ATOM 518 NZ LYS A 33 -4.160 -9.871 12.988 1.00 0.00 N ATOM 0 H LYS A 33 0.336 -9.934 9.416 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.781 -8.310 11.302 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.991 -11.252 10.676 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.856 -10.614 12.061 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.126 -9.469 9.261 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.169 -10.729 9.889 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.810 -8.231 11.528 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.814 -8.144 10.095 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.396 -8.751 11.681 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.935 -10.328 11.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.979 -9.812 13.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.807 -10.849 12.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.408 -9.239 13.330 1.00 0.00 H new ATOM 532 N GLU A 34 1.447 -10.285 12.624 1.00 0.00 N ATOM 533 CA GLU A 34 2.193 -10.577 13.842 1.00 0.00 C ATOM 534 C GLU A 34 2.528 -9.293 14.596 1.00 0.00 C ATOM 535 O GLU A 34 2.414 -9.232 15.820 1.00 0.00 O ATOM 536 CB GLU A 34 3.480 -11.335 13.508 1.00 0.00 C ATOM 537 CG GLU A 34 3.238 -12.700 12.884 1.00 0.00 C ATOM 538 CD GLU A 34 4.491 -13.290 12.267 1.00 0.00 C ATOM 539 OE1 GLU A 34 5.398 -12.510 11.907 1.00 0.00 O ATOM 540 OE2 GLU A 34 4.565 -14.530 12.144 1.00 0.00 O ATOM 0 H GLU A 34 1.837 -10.703 11.779 1.00 0.00 H new ATOM 0 HA GLU A 34 1.567 -11.200 14.481 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.079 -10.733 12.824 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.065 -11.460 14.419 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.857 -13.381 13.645 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.467 -12.614 12.119 1.00 0.00 H new ATOM 547 N SER A 35 2.942 -8.270 13.856 1.00 0.00 N ATOM 548 CA SER A 35 3.298 -6.988 14.454 1.00 0.00 C ATOM 549 C SER A 35 2.402 -5.873 13.923 1.00 0.00 C ATOM 550 O SER A 35 2.819 -4.719 13.825 1.00 0.00 O ATOM 551 CB SER A 35 4.765 -6.659 14.171 1.00 0.00 C ATOM 552 OG SER A 35 5.629 -7.464 14.953 1.00 0.00 O ATOM 0 H SER A 35 3.039 -8.303 12.841 1.00 0.00 H new ATOM 0 HA SER A 35 3.152 -7.065 15.531 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.978 -6.813 13.113 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.952 -5.606 14.384 1.00 0.00 H new ATOM 0 HG SER A 35 6.560 -7.235 14.752 1.00 0.00 H new ATOM 558 N LYS A 36 1.169 -6.227 13.579 1.00 0.00 N ATOM 559 CA LYS A 36 0.211 -5.259 13.058 1.00 0.00 C ATOM 560 C LYS A 36 0.871 -4.337 12.038 1.00 0.00 C ATOM 561 O LYS A 36 0.677 -3.121 12.069 1.00 0.00 O ATOM 562 CB LYS A 36 -0.381 -4.431 14.201 1.00 0.00 C ATOM 563 CG LYS A 36 -1.505 -5.135 14.942 1.00 0.00 C ATOM 564 CD LYS A 36 -1.809 -4.456 16.267 1.00 0.00 C ATOM 565 CE LYS A 36 -2.938 -5.157 17.006 1.00 0.00 C ATOM 566 NZ LYS A 36 -4.276 -4.737 16.504 1.00 0.00 N ATOM 0 H LYS A 36 0.809 -7.179 13.652 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.590 -5.808 12.562 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.411 -4.185 14.908 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.755 -3.489 13.800 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.402 -5.144 14.322 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.230 -6.175 15.119 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.914 -4.451 16.889 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.080 -3.415 16.090 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.830 -6.236 16.894 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.865 -4.939 18.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.018 -5.237 17.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.389 -3.711 16.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.356 -4.968 15.493 1.00 0.00 H new ATOM 580 N ILE A 37 1.649 -4.923 11.134 1.00 0.00 N ATOM 581 CA ILE A 37 2.334 -4.153 10.103 1.00 0.00 C ATOM 582 C ILE A 37 1.519 -4.111 8.815 1.00 0.00 C ATOM 583 O ILE A 37 1.128 -5.150 8.280 1.00 0.00 O ATOM 584 CB ILE A 37 3.726 -4.736 9.797 1.00 0.00 C ATOM 585 CG1 ILE A 37 4.567 -4.804 11.074 1.00 0.00 C ATOM 586 CG2 ILE A 37 4.430 -3.901 8.737 1.00 0.00 C ATOM 587 CD1 ILE A 37 5.878 -5.537 10.896 1.00 0.00 C ATOM 0 H ILE A 37 1.821 -5.928 11.095 1.00 0.00 H new ATOM 0 HA ILE A 37 2.450 -3.141 10.490 1.00 0.00 H new ATOM 0 HB ILE A 37 3.602 -5.748 9.411 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.771 -3.790 11.420 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.988 -5.297 11.855 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.412 -4.326 8.532 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.837 -3.899 7.822 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.545 -2.878 9.097 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.421 -5.546 11.841 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.682 -6.562 10.580 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.477 -5.032 10.138 1.00 0.00 H new ATOM 599 N PHE A 38 1.267 -2.904 8.319 1.00 0.00 N ATOM 600 CA PHE A 38 0.498 -2.727 7.093 1.00 0.00 C ATOM 601 C PHE A 38 1.309 -1.964 6.049 1.00 0.00 C ATOM 602 O PHE A 38 2.321 -1.339 6.368 1.00 0.00 O ATOM 603 CB PHE A 38 -0.806 -1.982 7.386 1.00 0.00 C ATOM 604 CG PHE A 38 -0.606 -0.692 8.129 1.00 0.00 C ATOM 605 CD1 PHE A 38 -0.146 -0.695 9.436 1.00 0.00 C ATOM 606 CD2 PHE A 38 -0.877 0.523 7.521 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.039 0.491 10.122 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.694 1.711 8.202 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.235 1.695 9.504 1.00 0.00 C ATOM 0 H PHE A 38 1.584 -2.034 8.747 1.00 0.00 H new ATOM 0 HA PHE A 38 0.262 -3.714 6.696 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.316 -1.775 6.445 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.462 -2.629 7.968 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.070 -1.634 9.924 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.236 0.542 6.502 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.398 0.476 11.141 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.910 2.651 7.716 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.091 2.622 10.038 1.00 0.00 H new ATOM 619 N ARG A 39 0.857 -2.021 4.800 1.00 0.00 N ATOM 620 CA ARG A 39 1.541 -1.337 3.709 1.00 0.00 C ATOM 621 C ARG A 39 0.555 -0.937 2.616 1.00 0.00 C ATOM 622 O ARG A 39 -0.316 -1.721 2.234 1.00 0.00 O ATOM 623 CB ARG A 39 2.633 -2.233 3.122 1.00 0.00 C ATOM 624 CG ARG A 39 3.250 -1.685 1.846 1.00 0.00 C ATOM 625 CD ARG A 39 3.727 -2.804 0.933 1.00 0.00 C ATOM 626 NE ARG A 39 4.977 -3.397 1.401 1.00 0.00 N ATOM 627 CZ ARG A 39 5.729 -4.205 0.662 1.00 0.00 C ATOM 628 NH1 ARG A 39 5.360 -4.514 -0.573 1.00 0.00 N ATOM 629 NH2 ARG A 39 6.854 -4.705 1.158 1.00 0.00 N ATOM 0 H ARG A 39 0.021 -2.533 4.519 1.00 0.00 H new ATOM 0 HA ARG A 39 1.999 -0.433 4.110 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.418 -2.369 3.866 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.213 -3.218 2.918 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.518 -1.072 1.320 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.089 -1.035 2.096 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.959 -3.576 0.874 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.866 -2.415 -0.076 1.00 0.00 H new ATOM 0 HE ARG A 39 5.290 -3.179 2.347 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.497 -4.131 -0.958 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.939 -5.135 -1.138 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.142 -4.469 2.108 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.431 -5.325 0.590 1.00 0.00 H new ATOM 643 N ILE A 40 0.697 0.286 2.116 1.00 0.00 N ATOM 644 CA ILE A 40 -0.181 0.789 1.067 1.00 0.00 C ATOM 645 C ILE A 40 0.188 0.198 -0.289 1.00 0.00 C ATOM 646 O ILE A 40 1.165 0.613 -0.914 1.00 0.00 O ATOM 647 CB ILE A 40 -0.128 2.326 0.977 1.00 0.00 C ATOM 648 CG1 ILE A 40 -0.893 2.954 2.143 1.00 0.00 C ATOM 649 CG2 ILE A 40 -0.696 2.798 -0.353 1.00 0.00 C ATOM 650 CD1 ILE A 40 -0.688 4.448 2.265 1.00 0.00 C ATOM 0 H ILE A 40 1.412 0.947 2.421 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.194 0.484 1.330 1.00 0.00 H new ATOM 0 HB ILE A 40 0.913 2.643 1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.957 2.750 2.021 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.581 2.476 3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.652 3.886 -0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.111 2.374 -1.169 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.732 2.473 -0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.260 4.826 3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.370 4.659 2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.027 4.937 1.352 1.00 0.00 H new ATOM 662 N VAL A 41 -0.600 -0.773 -0.740 1.00 0.00 N ATOM 663 CA VAL A 41 -0.358 -1.419 -2.024 1.00 0.00 C ATOM 664 C VAL A 41 -0.267 -0.393 -3.148 1.00 0.00 C ATOM 665 O VAL A 41 0.674 -0.408 -3.942 1.00 0.00 O ATOM 666 CB VAL A 41 -1.466 -2.435 -2.359 1.00 0.00 C ATOM 667 CG1 VAL A 41 -1.171 -3.132 -3.678 1.00 0.00 C ATOM 668 CG2 VAL A 41 -1.618 -3.447 -1.234 1.00 0.00 C ATOM 0 H VAL A 41 -1.411 -1.129 -0.235 1.00 0.00 H new ATOM 0 HA VAL A 41 0.593 -1.945 -1.939 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.408 -1.897 -2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.965 -3.846 -3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.117 -2.392 -4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.219 -3.658 -3.606 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.405 -4.157 -1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.678 -3.981 -1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.880 -2.929 -0.311 1.00 0.00 H new ATOM 678 N ASP A 42 -1.251 0.497 -3.209 1.00 0.00 N ATOM 679 CA ASP A 42 -1.283 1.533 -4.235 1.00 0.00 C ATOM 680 C ASP A 42 -1.687 2.877 -3.638 1.00 0.00 C ATOM 681 O ASP A 42 -2.844 3.104 -3.284 1.00 0.00 O ATOM 682 CB ASP A 42 -2.252 1.145 -5.352 1.00 0.00 C ATOM 683 CG ASP A 42 -1.586 0.322 -6.438 1.00 0.00 C ATOM 684 OD1 ASP A 42 -1.372 -0.889 -6.218 1.00 0.00 O ATOM 685 OD2 ASP A 42 -1.278 0.889 -7.507 1.00 0.00 O ATOM 0 H ASP A 42 -2.037 0.522 -2.560 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.280 1.628 -4.652 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.082 0.579 -4.929 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.674 2.048 -5.792 1.00 0.00 H new ATOM 690 N PRO A 43 -0.712 3.791 -3.522 1.00 0.00 N ATOM 691 CA PRO A 43 -0.942 5.128 -2.967 1.00 0.00 C ATOM 692 C PRO A 43 -1.785 6.002 -3.890 1.00 0.00 C ATOM 693 O PRO A 43 -2.676 6.719 -3.439 1.00 0.00 O ATOM 694 CB PRO A 43 0.470 5.703 -2.828 1.00 0.00 C ATOM 695 CG PRO A 43 1.278 4.971 -3.844 1.00 0.00 C ATOM 696 CD PRO A 43 0.690 3.589 -3.923 1.00 0.00 C ATOM 0 HA PRO A 43 -1.495 5.090 -2.029 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.480 6.777 -3.013 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.863 5.549 -1.823 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.233 5.470 -4.812 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.328 4.932 -3.554 1.00 0.00 H new ATOM 0 HD2 PRO A 43 0.765 3.178 -4.930 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.203 2.896 -3.256 1.00 0.00 H new ATOM 704 N ASN A 44 -1.496 5.935 -5.186 1.00 0.00 N ATOM 705 CA ASN A 44 -2.228 6.720 -6.173 1.00 0.00 C ATOM 706 C ASN A 44 -3.729 6.471 -6.063 1.00 0.00 C ATOM 707 O ASN A 44 -4.533 7.395 -6.180 1.00 0.00 O ATOM 708 CB ASN A 44 -1.746 6.381 -7.585 1.00 0.00 C ATOM 709 CG ASN A 44 -2.384 7.262 -8.641 1.00 0.00 C ATOM 710 OD1 ASN A 44 -3.283 8.050 -8.348 1.00 0.00 O ATOM 711 ND2 ASN A 44 -1.919 7.132 -9.879 1.00 0.00 N ATOM 0 H ASN A 44 -0.761 5.346 -5.576 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.037 7.775 -5.974 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.662 6.489 -7.632 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.972 5.337 -7.802 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.309 7.699 -10.632 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.172 6.466 -10.076 1.00 0.00 H new ATOM 718 N GLY A 45 -4.100 5.215 -5.834 1.00 0.00 N ATOM 719 CA GLY A 45 -5.503 4.866 -5.711 1.00 0.00 C ATOM 720 C GLY A 45 -6.011 4.999 -4.289 1.00 0.00 C ATOM 721 O GLY A 45 -7.079 5.565 -4.054 1.00 0.00 O ATOM 0 H GLY A 45 -3.454 4.433 -5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.093 5.508 -6.366 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.651 3.841 -6.052 1.00 0.00 H new ATOM 725 N LEU A 46 -5.245 4.476 -3.338 1.00 0.00 N ATOM 726 CA LEU A 46 -5.624 4.538 -1.930 1.00 0.00 C ATOM 727 C LEU A 46 -6.002 5.960 -1.530 1.00 0.00 C ATOM 728 O LEU A 46 -7.067 6.192 -0.959 1.00 0.00 O ATOM 729 CB LEU A 46 -4.477 4.036 -1.051 1.00 0.00 C ATOM 730 CG LEU A 46 -4.812 3.811 0.424 1.00 0.00 C ATOM 731 CD1 LEU A 46 -5.358 5.086 1.048 1.00 0.00 C ATOM 732 CD2 LEU A 46 -5.808 2.671 0.577 1.00 0.00 C ATOM 0 H LEU A 46 -4.358 4.004 -3.516 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.493 3.897 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.111 3.098 -1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.658 4.753 -1.112 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.896 3.539 0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.591 4.907 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.612 5.877 0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.263 5.390 0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.035 2.525 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.725 2.914 0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.379 1.756 0.168 1.00 0.00 H new ATOM 744 N ALA A 47 -5.123 6.909 -1.836 1.00 0.00 N ATOM 745 CA ALA A 47 -5.367 8.309 -1.512 1.00 0.00 C ATOM 746 C ALA A 47 -6.728 8.763 -2.029 1.00 0.00 C ATOM 747 O ALA A 47 -7.494 9.403 -1.308 1.00 0.00 O ATOM 748 CB ALA A 47 -4.263 9.184 -2.087 1.00 0.00 C ATOM 0 H ALA A 47 -4.236 6.734 -2.308 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.368 8.410 -0.427 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.458 10.227 -1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.304 8.883 -1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.235 9.069 -3.171 1.00 0.00 H new ATOM 754 N ARG A 48 -7.021 8.430 -3.281 1.00 0.00 N ATOM 755 CA ARG A 48 -8.289 8.806 -3.895 1.00 0.00 C ATOM 756 C ARG A 48 -9.444 8.619 -2.915 1.00 0.00 C ATOM 757 O ARG A 48 -10.224 9.541 -2.675 1.00 0.00 O ATOM 758 CB ARG A 48 -8.536 7.975 -5.155 1.00 0.00 C ATOM 759 CG ARG A 48 -7.425 8.088 -6.186 1.00 0.00 C ATOM 760 CD ARG A 48 -7.681 9.228 -7.160 1.00 0.00 C ATOM 761 NE ARG A 48 -6.686 9.270 -8.228 1.00 0.00 N ATOM 762 CZ ARG A 48 -6.686 10.178 -9.197 1.00 0.00 C ATOM 763 NH1 ARG A 48 -7.624 11.115 -9.232 1.00 0.00 N ATOM 764 NH2 ARG A 48 -5.747 10.151 -10.134 1.00 0.00 N ATOM 0 H ARG A 48 -6.398 7.900 -3.891 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.233 9.860 -4.168 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -8.653 6.929 -4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.475 8.290 -5.609 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.473 8.247 -5.680 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.341 7.151 -6.736 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.674 9.117 -7.594 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.673 10.175 -6.620 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.951 8.563 -8.230 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.348 11.139 -8.514 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.622 11.811 -9.977 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.024 9.432 -10.111 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.748 10.849 -10.878 1.00 0.00 H new ATOM 778 N LEU A 49 -9.547 7.420 -2.353 1.00 0.00 N ATOM 779 CA LEU A 49 -10.607 7.111 -1.399 1.00 0.00 C ATOM 780 C LEU A 49 -10.581 8.082 -0.223 1.00 0.00 C ATOM 781 O LEU A 49 -11.627 8.538 0.240 1.00 0.00 O ATOM 782 CB LEU A 49 -10.461 5.675 -0.892 1.00 0.00 C ATOM 783 CG LEU A 49 -10.482 4.581 -1.960 1.00 0.00 C ATOM 784 CD1 LEU A 49 -9.711 3.358 -1.487 1.00 0.00 C ATOM 785 CD2 LEU A 49 -11.914 4.208 -2.314 1.00 0.00 C ATOM 0 H LEU A 49 -8.910 6.646 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.564 7.214 -1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.524 5.599 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.265 5.478 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.997 4.966 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.737 2.590 -2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.676 3.636 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.167 2.971 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.909 3.428 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -12.426 3.843 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.435 5.086 -2.697 1.00 0.00 H new ATOM 797 N TRP A 50 -9.382 8.395 0.253 1.00 0.00 N ATOM 798 CA TRP A 50 -9.220 9.315 1.373 1.00 0.00 C ATOM 799 C TRP A 50 -9.656 10.724 0.988 1.00 0.00 C ATOM 800 O TRP A 50 -10.282 11.429 1.779 1.00 0.00 O ATOM 801 CB TRP A 50 -7.765 9.328 1.843 1.00 0.00 C ATOM 802 CG TRP A 50 -7.434 10.498 2.719 1.00 0.00 C ATOM 803 CD1 TRP A 50 -6.767 11.633 2.354 1.00 0.00 C ATOM 804 CD2 TRP A 50 -7.754 10.648 4.107 1.00 0.00 C ATOM 805 NE1 TRP A 50 -6.653 12.478 3.432 1.00 0.00 N ATOM 806 CE2 TRP A 50 -7.251 11.897 4.518 1.00 0.00 C ATOM 807 CE3 TRP A 50 -8.419 9.848 5.041 1.00 0.00 C ATOM 808 CZ2 TRP A 50 -7.391 12.363 5.823 1.00 0.00 C ATOM 809 CZ3 TRP A 50 -8.557 10.312 6.335 1.00 0.00 C ATOM 810 CH2 TRP A 50 -8.046 11.560 6.717 1.00 0.00 C ATOM 0 H TRP A 50 -8.507 8.025 -0.119 1.00 0.00 H new ATOM 0 HA TRP A 50 -9.855 8.969 2.189 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -7.558 8.406 2.387 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.110 9.338 0.972 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -6.386 11.836 1.364 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -6.197 13.390 3.424 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -8.817 8.885 4.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -6.997 13.324 6.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -9.068 9.702 7.065 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -8.172 11.894 7.736 1.00 0.00 H new ATOM 821 N GLY A 51 -9.321 11.130 -0.233 1.00 0.00 N ATOM 822 CA GLY A 51 -9.686 12.454 -0.701 1.00 0.00 C ATOM 823 C GLY A 51 -11.098 12.506 -1.252 1.00 0.00 C ATOM 824 O GLY A 51 -11.683 13.580 -1.377 1.00 0.00 O ATOM 0 H GLY A 51 -8.803 10.565 -0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.594 13.165 0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.986 12.768 -1.475 1.00 0.00 H new ATOM 828 N ASN A 52 -11.645 11.340 -1.583 1.00 0.00 N ATOM 829 CA ASN A 52 -12.996 11.257 -2.126 1.00 0.00 C ATOM 830 C ASN A 52 -14.035 11.522 -1.041 1.00 0.00 C ATOM 831 O ASN A 52 -14.832 12.455 -1.144 1.00 0.00 O ATOM 832 CB ASN A 52 -13.233 9.881 -2.751 1.00 0.00 C ATOM 833 CG ASN A 52 -14.626 9.742 -3.332 1.00 0.00 C ATOM 834 OD1 ASN A 52 -15.578 10.351 -2.844 1.00 0.00 O ATOM 835 ND2 ASN A 52 -14.752 8.938 -4.382 1.00 0.00 N ATOM 0 H ASN A 52 -11.174 10.441 -1.485 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.099 12.021 -2.897 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.496 9.710 -3.536 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.079 9.110 -1.996 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -15.665 8.806 -4.816 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -13.935 8.453 -4.754 1.00 0.00 H new ATOM 842 N HIS A 53 -14.021 10.694 -0.001 1.00 0.00 N ATOM 843 CA HIS A 53 -14.962 10.839 1.104 1.00 0.00 C ATOM 844 C HIS A 53 -14.701 12.130 1.874 1.00 0.00 C ATOM 845 O HIS A 53 -15.560 12.609 2.614 1.00 0.00 O ATOM 846 CB HIS A 53 -14.861 9.640 2.047 1.00 0.00 C ATOM 847 CG HIS A 53 -13.860 9.824 3.146 1.00 0.00 C ATOM 848 ND1 HIS A 53 -12.679 9.116 3.215 1.00 0.00 N ATOM 849 CD2 HIS A 53 -13.869 10.644 4.223 1.00 0.00 C ATOM 850 CE1 HIS A 53 -12.005 9.491 4.287 1.00 0.00 C ATOM 851 NE2 HIS A 53 -12.705 10.418 4.916 1.00 0.00 N ATOM 0 H HIS A 53 -13.369 9.916 0.100 1.00 0.00 H new ATOM 0 HA HIS A 53 -15.969 10.882 0.689 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -15.840 9.451 2.487 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.595 8.755 1.469 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -14.647 11.345 4.488 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -11.045 9.105 4.597 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -12.426 10.889 5.777 1.00 0.00 H new ATOM 860 N LYS A 54 -13.509 12.689 1.695 1.00 0.00 N ATOM 861 CA LYS A 54 -13.133 13.925 2.371 1.00 0.00 C ATOM 862 C LYS A 54 -13.546 15.142 1.549 1.00 0.00 C ATOM 863 O LYS A 54 -13.172 16.271 1.865 1.00 0.00 O ATOM 864 CB LYS A 54 -11.624 13.954 2.624 1.00 0.00 C ATOM 865 CG LYS A 54 -11.192 13.128 3.822 1.00 0.00 C ATOM 866 CD LYS A 54 -11.582 13.796 5.130 1.00 0.00 C ATOM 867 CE LYS A 54 -10.632 14.930 5.482 1.00 0.00 C ATOM 868 NZ LYS A 54 -11.272 15.931 6.380 1.00 0.00 N ATOM 0 H LYS A 54 -12.786 12.305 1.087 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.655 13.960 3.327 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.108 13.588 1.736 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.309 14.987 2.773 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.648 12.140 3.767 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.112 12.983 3.794 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.598 14.182 5.054 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.581 13.057 5.931 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.744 14.523 5.966 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.299 15.422 4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.069 16.890 6.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.301 15.778 6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.894 15.825 7.343 1.00 0.00 H new ATOM 882 N ASN A 55 -14.320 14.904 0.495 1.00 0.00 N ATOM 883 CA ASN A 55 -14.784 15.982 -0.371 1.00 0.00 C ATOM 884 C ASN A 55 -13.624 16.880 -0.790 1.00 0.00 C ATOM 885 O ASN A 55 -13.803 18.077 -1.018 1.00 0.00 O ATOM 886 CB ASN A 55 -15.855 16.811 0.341 1.00 0.00 C ATOM 887 CG ASN A 55 -16.510 17.822 -0.581 1.00 0.00 C ATOM 888 OD1 ASN A 55 -16.681 17.571 -1.774 1.00 0.00 O ATOM 889 ND2 ASN A 55 -16.881 18.971 -0.029 1.00 0.00 N ATOM 0 H ASN A 55 -14.639 13.975 0.220 1.00 0.00 H new ATOM 0 HA ASN A 55 -15.216 15.535 -1.266 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -16.617 16.145 0.746 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -15.405 17.332 1.186 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -17.328 19.690 -0.598 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -16.719 19.135 0.965 1.00 0.00 H new ATOM 896 N ARG A 56 -12.435 16.294 -0.891 1.00 0.00 N ATOM 897 CA ARG A 56 -11.246 17.041 -1.282 1.00 0.00 C ATOM 898 C ARG A 56 -11.066 17.021 -2.797 1.00 0.00 C ATOM 899 O ARG A 56 -11.883 16.455 -3.524 1.00 0.00 O ATOM 900 CB ARG A 56 -10.005 16.459 -0.603 1.00 0.00 C ATOM 901 CG ARG A 56 -9.798 16.960 0.818 1.00 0.00 C ATOM 902 CD ARG A 56 -9.180 18.349 0.834 1.00 0.00 C ATOM 903 NE ARG A 56 -10.189 19.399 0.722 1.00 0.00 N ATOM 904 CZ ARG A 56 -10.933 19.815 1.741 1.00 0.00 C ATOM 905 NH1 ARG A 56 -10.780 19.273 2.942 1.00 0.00 N ATOM 906 NH2 ARG A 56 -11.831 20.775 1.560 1.00 0.00 N ATOM 0 H ARG A 56 -12.270 15.304 -0.707 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.376 18.075 -0.962 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.085 15.372 -0.588 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.126 16.706 -1.198 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.754 16.980 1.341 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.153 16.267 1.359 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.617 18.484 1.757 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.470 18.439 0.012 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.330 19.837 -0.188 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.090 18.535 3.085 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.352 19.594 3.723 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.951 21.194 0.638 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.402 21.094 2.343 1.00 0.00 H new ATOM 920 N THR A 57 -9.990 17.644 -3.269 1.00 0.00 N ATOM 921 CA THR A 57 -9.703 17.700 -4.696 1.00 0.00 C ATOM 922 C THR A 57 -8.253 17.323 -4.981 1.00 0.00 C ATOM 923 O THR A 57 -7.339 17.770 -4.289 1.00 0.00 O ATOM 924 CB THR A 57 -9.979 19.102 -5.271 1.00 0.00 C ATOM 925 OG1 THR A 57 -11.320 19.501 -4.965 1.00 0.00 O ATOM 926 CG2 THR A 57 -9.771 19.120 -6.778 1.00 0.00 C ATOM 0 H THR A 57 -9.303 18.117 -2.682 1.00 0.00 H new ATOM 0 HA THR A 57 -10.365 16.981 -5.179 1.00 0.00 H new ATOM 0 HB THR A 57 -9.278 19.802 -4.815 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.487 20.394 -5.332 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.972 20.121 -7.161 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.742 18.844 -7.007 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.450 18.409 -7.248 1.00 0.00 H new ATOM 934 N ASN A 58 -8.050 16.499 -6.003 1.00 0.00 N ATOM 935 CA ASN A 58 -6.710 16.063 -6.379 1.00 0.00 C ATOM 936 C ASN A 58 -5.910 15.642 -5.150 1.00 0.00 C ATOM 937 O ASN A 58 -4.750 16.020 -4.993 1.00 0.00 O ATOM 938 CB ASN A 58 -5.976 17.182 -7.121 1.00 0.00 C ATOM 939 CG ASN A 58 -6.468 17.351 -8.545 1.00 0.00 C ATOM 940 OD1 ASN A 58 -7.586 17.814 -8.776 1.00 0.00 O ATOM 941 ND2 ASN A 58 -5.634 16.976 -9.508 1.00 0.00 N ATOM 0 H ASN A 58 -8.796 16.120 -6.586 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.807 15.202 -7.040 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.107 18.119 -6.581 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.907 16.967 -7.132 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.910 17.066 -10.486 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.717 16.598 -9.270 1.00 0.00 H new ATOM 948 N MET A 59 -6.540 14.858 -4.281 1.00 0.00 N ATOM 949 CA MET A 59 -5.886 14.384 -3.066 1.00 0.00 C ATOM 950 C MET A 59 -4.647 13.559 -3.402 1.00 0.00 C ATOM 951 O MET A 59 -4.750 12.447 -3.920 1.00 0.00 O ATOM 952 CB MET A 59 -6.858 13.549 -2.231 1.00 0.00 C ATOM 953 CG MET A 59 -6.207 12.879 -1.031 1.00 0.00 C ATOM 954 SD MET A 59 -5.621 14.065 0.194 1.00 0.00 S ATOM 955 CE MET A 59 -7.159 14.514 0.994 1.00 0.00 C ATOM 0 H MET A 59 -7.502 14.538 -4.395 1.00 0.00 H new ATOM 0 HA MET A 59 -5.576 15.254 -2.487 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.669 14.189 -1.884 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.305 12.784 -2.866 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.924 12.204 -0.563 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.370 12.269 -1.370 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.953 14.879 2.000 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.653 15.297 0.419 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.808 13.640 1.051 1.00 0.00 H new ATOM 965 N THR A 60 -3.475 14.112 -3.104 1.00 0.00 N ATOM 966 CA THR A 60 -2.217 13.428 -3.376 1.00 0.00 C ATOM 967 C THR A 60 -1.682 12.743 -2.123 1.00 0.00 C ATOM 968 O THR A 60 -1.989 13.150 -1.002 1.00 0.00 O ATOM 969 CB THR A 60 -1.151 14.404 -3.908 1.00 0.00 C ATOM 970 OG1 THR A 60 0.096 13.721 -4.080 1.00 0.00 O ATOM 971 CG2 THR A 60 -0.966 15.576 -2.955 1.00 0.00 C ATOM 0 H THR A 60 -3.371 15.031 -2.674 1.00 0.00 H new ATOM 0 HA THR A 60 -2.424 12.676 -4.138 1.00 0.00 H new ATOM 0 HB THR A 60 -1.490 14.789 -4.870 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.768 14.348 -4.420 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.208 16.252 -3.352 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.910 16.111 -2.849 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.647 15.206 -1.981 1.00 0.00 H new ATOM 979 N TYR A 61 -0.882 11.702 -2.321 1.00 0.00 N ATOM 980 CA TYR A 61 -0.306 10.958 -1.206 1.00 0.00 C ATOM 981 C TYR A 61 0.602 11.852 -0.367 1.00 0.00 C ATOM 982 O TYR A 61 0.698 11.689 0.849 1.00 0.00 O ATOM 983 CB TYR A 61 0.483 9.754 -1.723 1.00 0.00 C ATOM 984 CG TYR A 61 1.253 9.026 -0.644 1.00 0.00 C ATOM 985 CD1 TYR A 61 0.597 8.232 0.289 1.00 0.00 C ATOM 986 CD2 TYR A 61 2.635 9.133 -0.556 1.00 0.00 C ATOM 987 CE1 TYR A 61 1.295 7.566 1.277 1.00 0.00 C ATOM 988 CE2 TYR A 61 3.342 8.469 0.427 1.00 0.00 C ATOM 989 CZ TYR A 61 2.668 7.687 1.342 1.00 0.00 C ATOM 990 OH TYR A 61 3.368 7.025 2.324 1.00 0.00 O ATOM 0 H TYR A 61 -0.617 11.354 -3.242 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.123 10.606 -0.576 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.206 9.056 -2.200 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.180 10.089 -2.491 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.477 8.134 0.241 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.166 9.746 -1.269 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.769 6.954 1.995 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.417 8.561 0.479 1.00 0.00 H new ATOM 0 HH TYR A 61 4.325 7.215 2.229 1.00 0.00 H new ATOM 1000 N GLU A 62 1.265 12.797 -1.026 1.00 0.00 N ATOM 1001 CA GLU A 62 2.165 13.717 -0.340 1.00 0.00 C ATOM 1002 C GLU A 62 1.459 14.401 0.827 1.00 0.00 C ATOM 1003 O GLU A 62 1.870 14.270 1.980 1.00 0.00 O ATOM 1004 CB GLU A 62 2.695 14.769 -1.317 1.00 0.00 C ATOM 1005 CG GLU A 62 3.567 14.192 -2.419 1.00 0.00 C ATOM 1006 CD GLU A 62 4.393 15.250 -3.125 1.00 0.00 C ATOM 1007 OE1 GLU A 62 4.669 16.298 -2.503 1.00 0.00 O ATOM 1008 OE2 GLU A 62 4.762 15.031 -4.297 1.00 0.00 O ATOM 0 H GLU A 62 1.196 12.946 -2.033 1.00 0.00 H new ATOM 0 HA GLU A 62 3.003 13.141 0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.851 15.291 -1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.269 15.511 -0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.233 13.441 -1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.936 13.683 -3.148 1.00 0.00 H new ATOM 1015 N LYS A 63 0.392 15.132 0.519 1.00 0.00 N ATOM 1016 CA LYS A 63 -0.373 15.836 1.541 1.00 0.00 C ATOM 1017 C LYS A 63 -1.067 14.852 2.477 1.00 0.00 C ATOM 1018 O LYS A 63 -1.600 15.240 3.516 1.00 0.00 O ATOM 1019 CB LYS A 63 -1.411 16.752 0.888 1.00 0.00 C ATOM 1020 CG LYS A 63 -0.826 17.687 -0.157 1.00 0.00 C ATOM 1021 CD LYS A 63 -1.915 18.379 -0.959 1.00 0.00 C ATOM 1022 CE LYS A 63 -2.640 19.425 -0.126 1.00 0.00 C ATOM 1023 NZ LYS A 63 -1.852 20.683 -0.006 1.00 0.00 N ATOM 0 H LYS A 63 0.038 15.252 -0.430 1.00 0.00 H new ATOM 0 HA LYS A 63 0.320 16.440 2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.183 16.139 0.423 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.898 17.345 1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.202 18.435 0.332 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.180 17.123 -0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.477 18.852 -1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.630 17.639 -1.318 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.607 19.644 -0.579 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.838 19.024 0.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.380 21.370 0.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.940 20.479 0.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.685 21.080 -0.953 1.00 0.00 H new ATOM 1037 N MET A 64 -1.054 13.577 2.102 1.00 0.00 N ATOM 1038 CA MET A 64 -1.680 12.537 2.911 1.00 0.00 C ATOM 1039 C MET A 64 -0.757 12.102 4.045 1.00 0.00 C ATOM 1040 O MET A 64 -1.076 12.282 5.221 1.00 0.00 O ATOM 1041 CB MET A 64 -2.040 11.331 2.040 1.00 0.00 C ATOM 1042 CG MET A 64 -3.086 10.422 2.664 1.00 0.00 C ATOM 1043 SD MET A 64 -3.788 9.257 1.481 1.00 0.00 S ATOM 1044 CE MET A 64 -3.247 7.699 2.178 1.00 0.00 C ATOM 0 H MET A 64 -0.617 13.239 1.244 1.00 0.00 H new ATOM 0 HA MET A 64 -2.592 12.948 3.345 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.407 11.685 1.077 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.137 10.752 1.844 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.636 9.869 3.489 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.885 11.031 3.087 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.842 7.068 1.387 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.476 7.883 2.926 1.00 0.00 H new ATOM 0 HE3 MET A 64 -4.093 7.196 2.646 1.00 0.00 H new ATOM 1054 N SER A 65 0.387 11.529 3.686 1.00 0.00 N ATOM 1055 CA SER A 65 1.353 11.065 4.674 1.00 0.00 C ATOM 1056 C SER A 65 1.639 12.151 5.706 1.00 0.00 C ATOM 1057 O SER A 65 2.128 11.869 6.801 1.00 0.00 O ATOM 1058 CB SER A 65 2.654 10.643 3.988 1.00 0.00 C ATOM 1059 OG SER A 65 3.284 11.750 3.366 1.00 0.00 O ATOM 0 H SER A 65 0.668 11.375 2.718 1.00 0.00 H new ATOM 0 HA SER A 65 0.925 10.204 5.187 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.329 10.201 4.721 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.444 9.875 3.244 1.00 0.00 H new ATOM 0 HG SER A 65 2.606 12.318 2.945 1.00 0.00 H new ATOM 1065 N ARG A 66 1.329 13.393 5.350 1.00 0.00 N ATOM 1066 CA ARG A 66 1.553 14.523 6.244 1.00 0.00 C ATOM 1067 C ARG A 66 1.018 14.224 7.642 1.00 0.00 C ATOM 1068 O ARG A 66 1.456 14.821 8.625 1.00 0.00 O ATOM 1069 CB ARG A 66 0.884 15.781 5.688 1.00 0.00 C ATOM 1070 CG ARG A 66 1.781 16.592 4.767 1.00 0.00 C ATOM 1071 CD ARG A 66 2.597 17.615 5.542 1.00 0.00 C ATOM 1072 NE ARG A 66 1.768 18.706 6.047 1.00 0.00 N ATOM 1073 CZ ARG A 66 1.328 19.705 5.291 1.00 0.00 C ATOM 1074 NH1 ARG A 66 1.635 19.750 4.001 1.00 0.00 N ATOM 1075 NH2 ARG A 66 0.578 20.662 5.823 1.00 0.00 N ATOM 0 H ARG A 66 0.922 13.643 4.449 1.00 0.00 H new ATOM 0 HA ARG A 66 2.628 14.692 6.313 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.016 15.493 5.144 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.567 16.411 6.519 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.452 15.922 4.229 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.172 17.101 4.020 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.097 17.123 6.376 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.377 18.020 4.897 1.00 0.00 H new ATOM 0 HE ARG A 66 1.513 18.700 7.035 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.210 19.016 3.588 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.296 20.519 3.423 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.339 20.631 6.814 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.241 21.429 5.241 1.00 0.00 H new ATOM 1089 N ALA A 67 0.069 13.298 7.721 1.00 0.00 N ATOM 1090 CA ALA A 67 -0.525 12.919 8.997 1.00 0.00 C ATOM 1091 C ALA A 67 0.311 11.852 9.696 1.00 0.00 C ATOM 1092 O ALA A 67 0.933 12.112 10.727 1.00 0.00 O ATOM 1093 CB ALA A 67 -1.949 12.426 8.791 1.00 0.00 C ATOM 0 H ALA A 67 -0.305 12.796 6.916 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.547 13.802 9.636 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.380 12.146 9.752 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.547 13.219 8.342 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.942 11.559 8.131 1.00 0.00 H new ATOM 1099 N LEU A 68 0.320 10.650 9.130 1.00 0.00 N ATOM 1100 CA LEU A 68 1.079 9.542 9.700 1.00 0.00 C ATOM 1101 C LEU A 68 2.368 10.040 10.346 1.00 0.00 C ATOM 1102 O LEU A 68 2.820 9.494 11.352 1.00 0.00 O ATOM 1103 CB LEU A 68 1.404 8.511 8.617 1.00 0.00 C ATOM 1104 CG LEU A 68 0.227 7.675 8.113 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.672 7.266 9.269 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -0.565 8.445 7.066 1.00 0.00 C ATOM 0 H LEU A 68 -0.189 10.418 8.277 1.00 0.00 H new ATOM 0 HA LEU A 68 0.467 9.072 10.470 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.844 9.033 7.767 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.165 7.834 9.004 1.00 0.00 H new ATOM 0 HG LEU A 68 0.621 6.771 7.649 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.504 6.672 8.890 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.099 6.675 9.984 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.058 8.158 9.763 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.399 7.835 6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.948 9.367 7.504 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.084 8.686 6.224 1.00 0.00 H new ATOM 1118 N ARG A 69 2.952 11.081 9.762 1.00 0.00 N ATOM 1119 CA ARG A 69 4.188 11.654 10.282 1.00 0.00 C ATOM 1120 C ARG A 69 3.974 12.237 11.676 1.00 0.00 C ATOM 1121 O ARG A 69 4.685 11.893 12.620 1.00 0.00 O ATOM 1122 CB ARG A 69 4.709 12.740 9.338 1.00 0.00 C ATOM 1123 CG ARG A 69 5.648 12.215 8.265 1.00 0.00 C ATOM 1124 CD ARG A 69 7.090 12.193 8.748 1.00 0.00 C ATOM 1125 NE ARG A 69 7.593 13.534 9.030 1.00 0.00 N ATOM 1126 CZ ARG A 69 8.885 13.841 9.072 1.00 0.00 C ATOM 1127 NH1 ARG A 69 9.799 12.906 8.852 1.00 0.00 N ATOM 1128 NH2 ARG A 69 9.265 15.084 9.335 1.00 0.00 N ATOM 0 H ARG A 69 2.590 11.545 8.929 1.00 0.00 H new ATOM 0 HA ARG A 69 4.927 10.856 10.351 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.861 13.230 8.859 1.00 0.00 H new ATOM 0 HB3 ARG A 69 5.228 13.500 9.923 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.345 11.209 7.975 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.571 12.840 7.375 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.162 11.582 9.648 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.718 11.722 7.992 1.00 0.00 H new ATOM 0 HE ARG A 69 6.915 14.276 9.204 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.511 11.949 8.650 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.790 13.144 8.885 1.00 0.00 H new ATOM 0 HH21 ARG A 69 8.565 15.806 9.505 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.257 15.318 9.367 1.00 0.00 H new ATOM 1142 N HIS A 70 2.988 13.121 11.797 1.00 0.00 N ATOM 1143 CA HIS A 70 2.680 13.751 13.075 1.00 0.00 C ATOM 1144 C HIS A 70 2.622 12.714 14.193 1.00 0.00 C ATOM 1145 O HIS A 70 3.117 12.947 15.296 1.00 0.00 O ATOM 1146 CB HIS A 70 1.350 14.501 12.990 1.00 0.00 C ATOM 1147 CG HIS A 70 1.492 15.922 12.537 1.00 0.00 C ATOM 1148 ND1 HIS A 70 1.894 16.942 13.374 1.00 0.00 N ATOM 1149 CD2 HIS A 70 1.284 16.490 11.327 1.00 0.00 C ATOM 1150 CE1 HIS A 70 1.925 18.076 12.698 1.00 0.00 C ATOM 1151 NE2 HIS A 70 1.560 17.829 11.452 1.00 0.00 N ATOM 0 H HIS A 70 2.390 13.417 11.026 1.00 0.00 H new ATOM 0 HA HIS A 70 3.475 14.461 13.303 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.688 13.974 12.303 1.00 0.00 H new ATOM 0 HB3 HIS A 70 0.871 14.486 13.969 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.961 15.984 10.429 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.202 19.041 13.096 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.494 18.520 10.705 1.00 0.00 H new ATOM 1160 N TYR A 71 2.014 11.570 13.900 1.00 0.00 N ATOM 1161 CA TYR A 71 1.888 10.498 14.881 1.00 0.00 C ATOM 1162 C TYR A 71 3.255 9.915 15.228 1.00 0.00 C ATOM 1163 O TYR A 71 3.543 9.629 16.391 1.00 0.00 O ATOM 1164 CB TYR A 71 0.971 9.396 14.349 1.00 0.00 C ATOM 1165 CG TYR A 71 -0.382 9.899 13.899 1.00 0.00 C ATOM 1166 CD1 TYR A 71 -0.572 10.387 12.612 1.00 0.00 C ATOM 1167 CD2 TYR A 71 -1.471 9.885 14.761 1.00 0.00 C ATOM 1168 CE1 TYR A 71 -1.806 10.848 12.197 1.00 0.00 C ATOM 1169 CE2 TYR A 71 -2.710 10.343 14.355 1.00 0.00 C ATOM 1170 CZ TYR A 71 -2.872 10.824 13.072 1.00 0.00 C ATOM 1171 OH TYR A 71 -4.104 11.281 12.663 1.00 0.00 O ATOM 0 H TYR A 71 1.601 11.361 12.991 1.00 0.00 H new ATOM 0 HA TYR A 71 1.451 10.918 15.787 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.462 8.899 13.512 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.830 8.645 15.127 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.260 10.406 11.924 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.347 9.510 15.766 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.936 11.225 11.193 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.546 10.325 15.038 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.807 10.821 13.167 1.00 0.00 H new ATOM 1181 N TYR A 72 4.092 9.742 14.212 1.00 0.00 N ATOM 1182 CA TYR A 72 5.428 9.192 14.408 1.00 0.00 C ATOM 1183 C TYR A 72 6.097 9.806 15.634 1.00 0.00 C ATOM 1184 O TYR A 72 6.862 9.145 16.336 1.00 0.00 O ATOM 1185 CB TYR A 72 6.290 9.436 13.168 1.00 0.00 C ATOM 1186 CG TYR A 72 5.762 8.760 11.922 1.00 0.00 C ATOM 1187 CD1 TYR A 72 4.697 7.871 11.988 1.00 0.00 C ATOM 1188 CD2 TYR A 72 6.330 9.011 10.679 1.00 0.00 C ATOM 1189 CE1 TYR A 72 4.212 7.252 10.853 1.00 0.00 C ATOM 1190 CE2 TYR A 72 5.851 8.397 9.538 1.00 0.00 C ATOM 1191 CZ TYR A 72 4.792 7.518 9.630 1.00 0.00 C ATOM 1192 OH TYR A 72 4.312 6.903 8.496 1.00 0.00 O ATOM 0 H TYR A 72 3.869 9.975 13.244 1.00 0.00 H new ATOM 0 HA TYR A 72 5.330 8.119 14.570 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.358 10.509 12.988 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.302 9.081 13.363 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.240 7.660 12.944 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.160 9.698 10.604 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.383 6.563 10.922 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.303 8.604 8.579 1.00 0.00 H new ATOM 0 HH TYR A 72 4.385 5.931 8.596 1.00 0.00 H new ATOM 1202 N LYS A 73 5.801 11.077 15.886 1.00 0.00 N ATOM 1203 CA LYS A 73 6.369 11.783 17.028 1.00 0.00 C ATOM 1204 C LYS A 73 5.742 11.303 18.333 1.00 0.00 C ATOM 1205 O LYS A 73 6.420 11.190 19.355 1.00 0.00 O ATOM 1206 CB LYS A 73 6.162 13.292 16.875 1.00 0.00 C ATOM 1207 CG LYS A 73 6.567 13.827 15.513 1.00 0.00 C ATOM 1208 CD LYS A 73 8.027 14.249 15.491 1.00 0.00 C ATOM 1209 CE LYS A 73 8.934 13.100 15.078 1.00 0.00 C ATOM 1210 NZ LYS A 73 8.968 12.924 13.600 1.00 0.00 N ATOM 0 H LYS A 73 5.171 11.639 15.314 1.00 0.00 H new ATOM 0 HA LYS A 73 7.437 11.570 17.060 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.112 13.526 17.050 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.736 13.809 17.644 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.397 13.062 14.755 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.937 14.678 15.253 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.156 15.082 14.800 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.318 14.607 16.479 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.944 13.284 15.445 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.588 12.178 15.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.597 12.131 13.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.009 12.723 13.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.322 13.795 13.155 1.00 0.00 H new ATOM 1224 N LEU A 74 4.445 11.019 18.291 1.00 0.00 N ATOM 1225 CA LEU A 74 3.726 10.549 19.470 1.00 0.00 C ATOM 1226 C LEU A 74 4.146 9.128 19.833 1.00 0.00 C ATOM 1227 O LEU A 74 3.713 8.582 20.847 1.00 0.00 O ATOM 1228 CB LEU A 74 2.217 10.601 19.226 1.00 0.00 C ATOM 1229 CG LEU A 74 1.561 11.975 19.365 1.00 0.00 C ATOM 1230 CD1 LEU A 74 0.350 12.083 18.452 1.00 0.00 C ATOM 1231 CD2 LEU A 74 1.166 12.233 20.812 1.00 0.00 C ATOM 0 H LEU A 74 3.870 11.106 17.453 1.00 0.00 H new ATOM 0 HA LEU A 74 3.975 11.206 20.303 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.019 10.226 18.222 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.733 9.917 19.923 1.00 0.00 H new ATOM 0 HG LEU A 74 2.284 12.734 19.066 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.104 13.068 18.565 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.661 11.943 17.417 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.377 11.316 18.719 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.701 13.215 20.893 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.460 11.469 21.138 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.054 12.199 21.443 1.00 0.00 H new ATOM 1243 N ASN A 75 4.993 8.536 18.998 1.00 0.00 N ATOM 1244 CA ASN A 75 5.473 7.178 19.231 1.00 0.00 C ATOM 1245 C ASN A 75 4.338 6.169 19.093 1.00 0.00 C ATOM 1246 O ASN A 75 4.173 5.286 19.936 1.00 0.00 O ATOM 1247 CB ASN A 75 6.101 7.070 20.622 1.00 0.00 C ATOM 1248 CG ASN A 75 6.844 5.762 20.821 1.00 0.00 C ATOM 1249 OD1 ASN A 75 6.494 4.962 21.688 1.00 0.00 O ATOM 1250 ND2 ASN A 75 7.876 5.541 20.015 1.00 0.00 N ATOM 0 H ASN A 75 5.361 8.975 18.154 1.00 0.00 H new ATOM 0 HA ASN A 75 6.229 6.952 18.479 1.00 0.00 H new ATOM 0 HB2 ASN A 75 6.789 7.902 20.773 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.321 7.160 21.378 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.415 4.679 20.101 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.130 6.233 19.310 1.00 0.00 H new ATOM 1257 N ILE A 76 3.559 6.305 18.026 1.00 0.00 N ATOM 1258 CA ILE A 76 2.440 5.404 17.777 1.00 0.00 C ATOM 1259 C ILE A 76 2.701 4.530 16.555 1.00 0.00 C ATOM 1260 O ILE A 76 2.415 3.332 16.564 1.00 0.00 O ATOM 1261 CB ILE A 76 1.127 6.181 17.568 1.00 0.00 C ATOM 1262 CG1 ILE A 76 0.883 7.135 18.738 1.00 0.00 C ATOM 1263 CG2 ILE A 76 -0.039 5.217 17.411 1.00 0.00 C ATOM 1264 CD1 ILE A 76 -0.253 8.106 18.499 1.00 0.00 C ATOM 0 H ILE A 76 3.682 7.030 17.320 1.00 0.00 H new ATOM 0 HA ILE A 76 2.341 4.772 18.659 1.00 0.00 H new ATOM 0 HB ILE A 76 1.211 6.770 16.655 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.669 6.552 19.634 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.796 7.697 18.934 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.960 5.781 17.264 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.134 4.574 16.548 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.128 4.604 18.308 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.369 8.752 19.370 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.033 8.715 17.622 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.177 7.552 18.333 1.00 0.00 H new ATOM 1276 N ILE A 77 3.245 5.136 15.505 1.00 0.00 N ATOM 1277 CA ILE A 77 3.547 4.412 14.277 1.00 0.00 C ATOM 1278 C ILE A 77 5.011 4.578 13.887 1.00 0.00 C ATOM 1279 O ILE A 77 5.616 5.621 14.133 1.00 0.00 O ATOM 1280 CB ILE A 77 2.660 4.888 13.111 1.00 0.00 C ATOM 1281 CG1 ILE A 77 1.182 4.797 13.496 1.00 0.00 C ATOM 1282 CG2 ILE A 77 2.939 4.065 11.862 1.00 0.00 C ATOM 1283 CD1 ILE A 77 0.312 5.819 12.797 1.00 0.00 C ATOM 0 H ILE A 77 3.486 6.127 15.480 1.00 0.00 H new ATOM 0 HA ILE A 77 3.343 3.359 14.473 1.00 0.00 H new ATOM 0 HB ILE A 77 2.897 5.930 12.896 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.815 3.798 13.262 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.087 4.927 14.574 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.304 4.414 11.047 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.986 4.176 11.580 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.727 3.015 12.063 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.723 5.696 13.117 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.654 6.822 13.051 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.377 5.676 11.718 1.00 0.00 H new ATOM 1295 N ARG A 78 5.576 3.541 13.275 1.00 0.00 N ATOM 1296 CA ARG A 78 6.970 3.572 12.850 1.00 0.00 C ATOM 1297 C ARG A 78 7.088 3.305 11.352 1.00 0.00 C ATOM 1298 O ARG A 78 6.542 2.327 10.840 1.00 0.00 O ATOM 1299 CB ARG A 78 7.785 2.538 13.628 1.00 0.00 C ATOM 1300 CG ARG A 78 9.239 2.934 13.828 1.00 0.00 C ATOM 1301 CD ARG A 78 10.079 1.755 14.295 1.00 0.00 C ATOM 1302 NE ARG A 78 10.161 0.707 13.282 1.00 0.00 N ATOM 1303 CZ ARG A 78 11.051 -0.280 13.315 1.00 0.00 C ATOM 1304 NH1 ARG A 78 11.928 -0.352 14.307 1.00 0.00 N ATOM 1305 NH2 ARG A 78 11.063 -1.196 12.356 1.00 0.00 N ATOM 0 H ARG A 78 5.089 2.670 13.063 1.00 0.00 H new ATOM 0 HA ARG A 78 7.365 4.567 13.057 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.322 2.382 14.603 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.746 1.585 13.100 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.643 3.322 12.893 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.301 3.739 14.561 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.083 2.100 14.542 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.650 1.343 15.209 1.00 0.00 H new ATOM 0 HE ARG A 78 9.499 0.733 12.506 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.920 0.351 15.046 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.610 -1.110 14.331 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.389 -1.144 11.592 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.746 -1.953 12.382 1.00 0.00 H new ATOM 1319 N LYS A 79 7.802 4.181 10.654 1.00 0.00 N ATOM 1320 CA LYS A 79 7.993 4.041 9.216 1.00 0.00 C ATOM 1321 C LYS A 79 9.332 3.379 8.906 1.00 0.00 C ATOM 1322 O LYS A 79 10.387 3.994 9.054 1.00 0.00 O ATOM 1323 CB LYS A 79 7.920 5.410 8.535 1.00 0.00 C ATOM 1324 CG LYS A 79 7.789 5.332 7.024 1.00 0.00 C ATOM 1325 CD LYS A 79 7.795 6.714 6.392 1.00 0.00 C ATOM 1326 CE LYS A 79 7.540 6.642 4.894 1.00 0.00 C ATOM 1327 NZ LYS A 79 8.807 6.507 4.122 1.00 0.00 N ATOM 0 H LYS A 79 8.259 4.997 11.062 1.00 0.00 H new ATOM 0 HA LYS A 79 7.196 3.406 8.830 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.070 5.961 8.937 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.816 5.979 8.785 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.609 4.741 6.617 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.865 4.816 6.764 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.032 7.334 6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.755 7.195 6.576 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.890 5.794 4.676 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.012 7.540 4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.667 5.837 3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.081 7.434 3.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.559 6.155 4.748 1.00 0.00 H new ATOM 1341 N GLU A 80 9.279 2.123 8.475 1.00 0.00 N ATOM 1342 CA GLU A 80 10.489 1.378 8.144 1.00 0.00 C ATOM 1343 C GLU A 80 11.385 2.184 7.207 1.00 0.00 C ATOM 1344 O GLU A 80 10.921 2.831 6.267 1.00 0.00 O ATOM 1345 CB GLU A 80 10.130 0.039 7.496 1.00 0.00 C ATOM 1346 CG GLU A 80 9.274 -0.854 8.380 1.00 0.00 C ATOM 1347 CD GLU A 80 10.089 -1.596 9.421 1.00 0.00 C ATOM 1348 OE1 GLU A 80 11.291 -1.291 9.564 1.00 0.00 O ATOM 1349 OE2 GLU A 80 9.523 -2.484 10.094 1.00 0.00 O ATOM 0 H GLU A 80 8.413 1.600 8.347 1.00 0.00 H new ATOM 0 HA GLU A 80 11.034 1.191 9.069 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.600 0.227 6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.048 -0.490 7.241 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.518 -0.248 8.880 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.744 -1.575 7.757 1.00 0.00 H new ATOM 1356 N PRO A 81 12.700 2.146 7.469 1.00 0.00 N ATOM 1357 CA PRO A 81 13.688 2.867 6.662 1.00 0.00 C ATOM 1358 C PRO A 81 13.849 2.267 5.269 1.00 0.00 C ATOM 1359 O PRO A 81 13.786 2.976 4.266 1.00 0.00 O ATOM 1360 CB PRO A 81 14.983 2.711 7.464 1.00 0.00 C ATOM 1361 CG PRO A 81 14.791 1.463 8.254 1.00 0.00 C ATOM 1362 CD PRO A 81 13.322 1.397 8.573 1.00 0.00 C ATOM 0 HA PRO A 81 13.397 3.904 6.493 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.849 2.634 6.807 1.00 0.00 H new ATOM 0 HB3 PRO A 81 15.152 3.569 8.114 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.107 0.588 7.685 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.388 1.482 9.166 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.965 0.368 8.612 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.100 1.848 9.540 1.00 0.00 H new ATOM 1370 N GLY A 82 14.055 0.954 5.216 1.00 0.00 N ATOM 1371 CA GLY A 82 14.221 0.281 3.941 1.00 0.00 C ATOM 1372 C GLY A 82 13.059 0.527 3.000 1.00 0.00 C ATOM 1373 O GLY A 82 13.200 1.231 2.001 1.00 0.00 O ATOM 0 H GLY A 82 14.110 0.345 6.033 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.143 0.622 3.471 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.327 -0.791 4.110 1.00 0.00 H new ATOM 1377 N GLN A 83 11.907 -0.056 3.319 1.00 0.00 N ATOM 1378 CA GLN A 83 10.717 0.102 2.492 1.00 0.00 C ATOM 1379 C GLN A 83 10.452 1.574 2.195 1.00 0.00 C ATOM 1380 O GLN A 83 11.215 2.448 2.609 1.00 0.00 O ATOM 1381 CB GLN A 83 9.502 -0.517 3.186 1.00 0.00 C ATOM 1382 CG GLN A 83 9.431 -2.030 3.054 1.00 0.00 C ATOM 1383 CD GLN A 83 9.805 -2.512 1.666 1.00 0.00 C ATOM 1384 OE1 GLN A 83 10.984 -2.639 1.336 1.00 0.00 O ATOM 1385 NE2 GLN A 83 8.799 -2.785 0.843 1.00 0.00 N ATOM 0 H GLN A 83 11.773 -0.641 4.144 1.00 0.00 H new ATOM 0 HA GLN A 83 10.890 -0.415 1.548 1.00 0.00 H new ATOM 0 HB2 GLN A 83 9.525 -0.254 4.243 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.594 -0.081 2.768 1.00 0.00 H new ATOM 0 HG2 GLN A 83 10.098 -2.487 3.785 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.421 -2.365 3.291 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.836 -2.666 1.158 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.989 -3.114 -0.104 1.00 0.00 H new ATOM 1394 N ARG A 84 9.367 1.842 1.476 1.00 0.00 N ATOM 1395 CA ARG A 84 9.003 3.209 1.122 1.00 0.00 C ATOM 1396 C ARG A 84 7.665 3.594 1.747 1.00 0.00 C ATOM 1397 O ARG A 84 7.550 4.630 2.404 1.00 0.00 O ATOM 1398 CB ARG A 84 8.930 3.363 -0.398 1.00 0.00 C ATOM 1399 CG ARG A 84 8.528 2.088 -1.121 1.00 0.00 C ATOM 1400 CD ARG A 84 8.449 2.301 -2.625 1.00 0.00 C ATOM 1401 NE ARG A 84 9.753 2.159 -3.267 1.00 0.00 N ATOM 1402 CZ ARG A 84 10.626 3.153 -3.386 1.00 0.00 C ATOM 1403 NH1 ARG A 84 10.335 4.356 -2.908 1.00 0.00 N ATOM 1404 NH2 ARG A 84 11.792 2.946 -3.983 1.00 0.00 N ATOM 0 H ARG A 84 8.725 1.131 1.127 1.00 0.00 H new ATOM 0 HA ARG A 84 9.773 3.876 1.511 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.215 4.149 -0.641 1.00 0.00 H new ATOM 0 HB3 ARG A 84 9.902 3.690 -0.769 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.250 1.301 -0.901 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.562 1.747 -0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.752 1.583 -3.057 1.00 0.00 H new ATOM 0 HD3 ARG A 84 8.050 3.295 -2.830 1.00 0.00 H new ATOM 0 HE ARG A 84 10.007 1.246 -3.645 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.439 4.519 -2.448 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.007 5.118 -3.001 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.019 2.023 -4.352 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.461 3.710 -4.074 1.00 0.00 H new ATOM 1418 N LEU A 85 6.657 2.755 1.539 1.00 0.00 N ATOM 1419 CA LEU A 85 5.327 3.007 2.081 1.00 0.00 C ATOM 1420 C LEU A 85 4.951 1.951 3.116 1.00 0.00 C ATOM 1421 O LEU A 85 3.860 1.382 3.070 1.00 0.00 O ATOM 1422 CB LEU A 85 4.291 3.027 0.956 1.00 0.00 C ATOM 1423 CG LEU A 85 4.122 4.358 0.222 1.00 0.00 C ATOM 1424 CD1 LEU A 85 5.087 4.447 -0.949 1.00 0.00 C ATOM 1425 CD2 LEU A 85 2.686 4.526 -0.253 1.00 0.00 C ATOM 0 H LEU A 85 6.735 1.894 0.998 1.00 0.00 H new ATOM 0 HA LEU A 85 5.340 3.981 2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.562 2.264 0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.326 2.740 1.373 1.00 0.00 H new ATOM 0 HG LEU A 85 4.350 5.166 0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.953 5.401 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.111 4.372 -0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.890 3.632 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.584 5.478 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.430 3.713 -0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.014 4.507 0.605 1.00 0.00 H new ATOM 1437 N LEU A 86 5.861 1.695 4.049 1.00 0.00 N ATOM 1438 CA LEU A 86 5.625 0.708 5.098 1.00 0.00 C ATOM 1439 C LEU A 86 5.333 1.389 6.431 1.00 0.00 C ATOM 1440 O LEU A 86 6.039 2.314 6.835 1.00 0.00 O ATOM 1441 CB LEU A 86 6.836 -0.215 5.238 1.00 0.00 C ATOM 1442 CG LEU A 86 6.543 -1.639 5.712 1.00 0.00 C ATOM 1443 CD1 LEU A 86 5.690 -1.618 6.971 1.00 0.00 C ATOM 1444 CD2 LEU A 86 5.855 -2.436 4.612 1.00 0.00 C ATOM 0 H LEU A 86 6.769 2.157 4.101 1.00 0.00 H new ATOM 0 HA LEU A 86 4.755 0.115 4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.339 -0.271 4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.537 0.242 5.936 1.00 0.00 H new ATOM 0 HG LEU A 86 7.490 -2.125 5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.492 -2.640 7.293 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.220 -1.085 7.760 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.746 -1.114 6.763 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.654 -3.447 4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.916 -1.952 4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.502 -2.481 3.736 1.00 0.00 H new ATOM 1456 N PHE A 87 4.290 0.925 7.111 1.00 0.00 N ATOM 1457 CA PHE A 87 3.905 1.489 8.399 1.00 0.00 C ATOM 1458 C PHE A 87 3.655 0.385 9.423 1.00 0.00 C ATOM 1459 O PHE A 87 2.917 -0.564 9.160 1.00 0.00 O ATOM 1460 CB PHE A 87 2.651 2.353 8.248 1.00 0.00 C ATOM 1461 CG PHE A 87 2.730 3.329 7.110 1.00 0.00 C ATOM 1462 CD1 PHE A 87 3.800 4.203 7.002 1.00 0.00 C ATOM 1463 CD2 PHE A 87 1.734 3.373 6.147 1.00 0.00 C ATOM 1464 CE1 PHE A 87 3.874 5.103 5.955 1.00 0.00 C ATOM 1465 CE2 PHE A 87 1.804 4.271 5.098 1.00 0.00 C ATOM 1466 CZ PHE A 87 2.876 5.136 5.002 1.00 0.00 C ATOM 0 H PHE A 87 3.696 0.160 6.791 1.00 0.00 H new ATOM 0 HA PHE A 87 4.726 2.112 8.754 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.788 1.704 8.100 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.483 2.901 9.175 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.585 4.181 7.744 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.894 2.698 6.217 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.712 5.780 5.883 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.021 4.296 4.355 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.934 5.837 4.183 1.00 0.00 H new ATOM 1476 N ARG A 88 4.276 0.517 10.590 1.00 0.00 N ATOM 1477 CA ARG A 88 4.124 -0.469 11.653 1.00 0.00 C ATOM 1478 C ARG A 88 3.434 0.144 12.868 1.00 0.00 C ATOM 1479 O ARG A 88 3.916 1.121 13.442 1.00 0.00 O ATOM 1480 CB ARG A 88 5.488 -1.030 12.057 1.00 0.00 C ATOM 1481 CG ARG A 88 5.457 -1.840 13.343 1.00 0.00 C ATOM 1482 CD ARG A 88 6.859 -2.101 13.871 1.00 0.00 C ATOM 1483 NE ARG A 88 6.867 -3.105 14.931 1.00 0.00 N ATOM 1484 CZ ARG A 88 7.947 -3.792 15.285 1.00 0.00 C ATOM 1485 NH1 ARG A 88 9.101 -3.583 14.667 1.00 0.00 N ATOM 1486 NH2 ARG A 88 7.875 -4.690 16.260 1.00 0.00 N ATOM 0 H ARG A 88 4.890 1.298 10.824 1.00 0.00 H new ATOM 0 HA ARG A 88 3.503 -1.281 11.275 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.866 -1.659 11.251 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.191 -0.205 12.174 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.877 -1.307 14.096 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.952 -2.789 13.164 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.498 -2.433 13.053 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.283 -1.171 14.250 1.00 0.00 H new ATOM 0 HE ARG A 88 5.995 -3.289 15.427 1.00 0.00 H new ATOM 0 HH11 ARG A 88 9.161 -2.893 13.918 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.929 -4.112 14.941 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.989 -4.853 16.739 1.00 0.00 H new ATOM 0 HH22 ARG A 88 8.706 -5.217 16.531 1.00 0.00 H new ATOM 1500 N PHE A 89 2.302 -0.436 13.255 1.00 0.00 N ATOM 1501 CA PHE A 89 1.545 0.053 14.401 1.00 0.00 C ATOM 1502 C PHE A 89 2.153 -0.446 15.708 1.00 0.00 C ATOM 1503 O PHE A 89 1.786 -1.508 16.210 1.00 0.00 O ATOM 1504 CB PHE A 89 0.084 -0.391 14.302 1.00 0.00 C ATOM 1505 CG PHE A 89 -0.748 0.481 13.406 1.00 0.00 C ATOM 1506 CD1 PHE A 89 -0.764 1.856 13.575 1.00 0.00 C ATOM 1507 CD2 PHE A 89 -1.516 -0.075 12.395 1.00 0.00 C ATOM 1508 CE1 PHE A 89 -1.529 2.661 12.753 1.00 0.00 C ATOM 1509 CE2 PHE A 89 -2.283 0.725 11.569 1.00 0.00 C ATOM 1510 CZ PHE A 89 -2.290 2.095 11.749 1.00 0.00 C ATOM 0 H PHE A 89 1.889 -1.245 12.791 1.00 0.00 H new ATOM 0 HA PHE A 89 1.587 1.142 14.394 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.048 -1.416 13.933 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.354 -0.396 15.300 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.171 2.304 14.359 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.515 -1.145 12.251 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.532 3.732 12.895 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.876 0.280 10.784 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.889 2.722 11.106 1.00 0.00 H new ATOM 1520 N MET A 90 3.085 0.328 16.254 1.00 0.00 N ATOM 1521 CA MET A 90 3.744 -0.035 17.504 1.00 0.00 C ATOM 1522 C MET A 90 2.725 -0.202 18.627 1.00 0.00 C ATOM 1523 O MET A 90 2.518 -1.306 19.131 1.00 0.00 O ATOM 1524 CB MET A 90 4.775 1.027 17.889 1.00 0.00 C ATOM 1525 CG MET A 90 5.790 1.314 16.793 1.00 0.00 C ATOM 1526 SD MET A 90 6.827 2.742 17.164 1.00 0.00 S ATOM 1527 CE MET A 90 7.964 2.034 18.353 1.00 0.00 C ATOM 0 H MET A 90 3.401 1.210 15.851 1.00 0.00 H new ATOM 0 HA MET A 90 4.253 -0.987 17.354 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.255 1.951 18.143 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.303 0.701 18.785 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.422 0.438 16.650 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.265 1.485 15.853 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.671 2.797 18.679 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.407 1.664 19.214 1.00 0.00 H new ATOM 0 HE3 MET A 90 8.507 1.209 17.891 1.00 0.00 H new ATOM 1537 N LYS A 91 2.093 0.900 19.014 1.00 0.00 N ATOM 1538 CA LYS A 91 1.095 0.876 20.077 1.00 0.00 C ATOM 1539 C LYS A 91 -0.312 0.758 19.500 1.00 0.00 C ATOM 1540 O LYS A 91 -0.565 1.160 18.364 1.00 0.00 O ATOM 1541 CB LYS A 91 1.202 2.140 20.934 1.00 0.00 C ATOM 1542 CG LYS A 91 0.599 1.988 22.320 1.00 0.00 C ATOM 1543 CD LYS A 91 1.630 1.505 23.326 1.00 0.00 C ATOM 1544 CE LYS A 91 1.834 0.000 23.237 1.00 0.00 C ATOM 1545 NZ LYS A 91 2.915 -0.357 22.278 1.00 0.00 N ATOM 0 H LYS A 91 2.254 1.822 18.608 1.00 0.00 H new ATOM 0 HA LYS A 91 1.287 0.004 20.702 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.252 2.415 21.032 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.705 2.962 20.419 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.190 2.944 22.647 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.231 1.283 22.281 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.578 2.013 23.149 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.309 1.771 24.333 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.080 -0.392 24.224 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.903 -0.475 22.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.581 -1.111 21.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.171 0.480 21.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.749 -0.690 22.803 1.00 0.00 H new ATOM 1559 N THR A 92 -1.227 0.205 20.291 1.00 0.00 N ATOM 1560 CA THR A 92 -2.608 0.034 19.859 1.00 0.00 C ATOM 1561 C THR A 92 -3.267 1.380 19.578 1.00 0.00 C ATOM 1562 O THR A 92 -3.104 2.346 20.324 1.00 0.00 O ATOM 1563 CB THR A 92 -3.438 -0.720 20.914 1.00 0.00 C ATOM 1564 OG1 THR A 92 -2.817 -1.973 21.223 1.00 0.00 O ATOM 1565 CG2 THR A 92 -4.856 -0.961 20.418 1.00 0.00 C ATOM 0 H THR A 92 -1.036 -0.132 21.235 1.00 0.00 H new ATOM 0 HA THR A 92 -2.581 -0.553 18.941 1.00 0.00 H new ATOM 0 HB THR A 92 -3.484 -0.106 21.813 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.350 -2.445 21.896 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.422 -1.495 21.181 1.00 0.00 H new ATOM 0 HG22 THR A 92 -5.337 -0.005 20.212 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.826 -1.556 19.505 1.00 0.00 H new ATOM 1573 N PRO A 93 -4.030 1.448 18.477 1.00 0.00 N ATOM 1574 CA PRO A 93 -4.730 2.672 18.073 1.00 0.00 C ATOM 1575 C PRO A 93 -5.881 3.017 19.012 1.00 0.00 C ATOM 1576 O PRO A 93 -6.072 4.178 19.374 1.00 0.00 O ATOM 1577 CB PRO A 93 -5.260 2.333 16.678 1.00 0.00 C ATOM 1578 CG PRO A 93 -5.381 0.848 16.669 1.00 0.00 C ATOM 1579 CD PRO A 93 -4.269 0.337 17.542 1.00 0.00 C ATOM 0 HA PRO A 93 -4.075 3.543 18.094 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.223 2.810 16.494 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.579 2.679 15.901 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.352 0.533 17.050 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.294 0.455 15.656 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.556 -0.574 18.066 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.377 0.102 16.961 1.00 0.00 H new ATOM 1587 N ASP A 94 -6.644 2.003 19.402 1.00 0.00 N ATOM 1588 CA ASP A 94 -7.777 2.199 20.300 1.00 0.00 C ATOM 1589 C ASP A 94 -7.307 2.685 21.668 1.00 0.00 C ATOM 1590 O ASP A 94 -8.110 3.130 22.488 1.00 0.00 O ATOM 1591 CB ASP A 94 -8.567 0.899 20.451 1.00 0.00 C ATOM 1592 CG ASP A 94 -9.467 0.627 19.262 1.00 0.00 C ATOM 1593 OD1 ASP A 94 -8.959 0.131 18.234 1.00 0.00 O ATOM 1594 OD2 ASP A 94 -10.679 0.909 19.359 1.00 0.00 O ATOM 0 H ASP A 94 -6.499 1.036 19.111 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.426 2.960 19.866 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.873 0.068 20.575 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.171 0.948 21.357 1.00 0.00 H new ATOM 1599 N GLU A 95 -6.003 2.596 21.907 1.00 0.00 N ATOM 1600 CA GLU A 95 -5.428 3.025 23.176 1.00 0.00 C ATOM 1601 C GLU A 95 -5.471 4.545 23.307 1.00 0.00 C ATOM 1602 O GLU A 95 -5.590 5.081 24.409 1.00 0.00 O ATOM 1603 CB GLU A 95 -3.984 2.532 23.300 1.00 0.00 C ATOM 1604 CG GLU A 95 -3.565 2.233 24.730 1.00 0.00 C ATOM 1605 CD GLU A 95 -3.307 3.490 25.538 1.00 0.00 C ATOM 1606 OE1 GLU A 95 -2.630 4.402 25.018 1.00 0.00 O ATOM 1607 OE2 GLU A 95 -3.783 3.561 26.690 1.00 0.00 O ATOM 0 H GLU A 95 -5.325 2.231 21.239 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.023 2.591 23.980 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.863 1.631 22.699 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.315 3.285 22.884 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.343 1.646 25.217 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.663 1.621 24.720 1.00 0.00 H new ATOM 1794 N LEU A 107 -6.418 17.422 15.012 1.00 0.00 N ATOM 1795 CA LEU A 107 -5.604 17.289 13.809 1.00 0.00 C ATOM 1796 C LEU A 107 -6.309 16.427 12.767 1.00 0.00 C ATOM 1797 O LEU A 107 -5.670 15.663 12.044 1.00 0.00 O ATOM 1798 CB LEU A 107 -4.244 16.681 14.155 1.00 0.00 C ATOM 1799 CG LEU A 107 -3.348 17.515 15.071 1.00 0.00 C ATOM 1800 CD1 LEU A 107 -2.344 16.628 15.790 1.00 0.00 C ATOM 1801 CD2 LEU A 107 -2.633 18.598 14.276 1.00 0.00 C ATOM 0 HA LEU A 107 -5.454 18.284 13.389 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.411 15.713 14.627 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.705 16.494 13.226 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.976 17.997 15.820 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.716 17.240 16.437 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.875 15.891 16.392 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.720 16.116 15.057 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.000 19.182 14.944 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.017 18.136 13.504 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.369 19.253 13.810 1.00 0.00 H new ATOM 1813 N GLU A 108 -7.630 16.557 12.694 1.00 0.00 N ATOM 1814 CA GLU A 108 -8.421 15.790 11.739 1.00 0.00 C ATOM 1815 C GLU A 108 -8.623 16.574 10.446 1.00 0.00 C ATOM 1816 O GLU A 108 -8.635 16.003 9.356 1.00 0.00 O ATOM 1817 CB GLU A 108 -9.779 15.425 12.344 1.00 0.00 C ATOM 1818 CG GLU A 108 -10.617 16.632 12.731 1.00 0.00 C ATOM 1819 CD GLU A 108 -11.462 17.147 11.583 1.00 0.00 C ATOM 1820 OE1 GLU A 108 -11.414 16.540 10.492 1.00 0.00 O ATOM 1821 OE2 GLU A 108 -12.171 18.157 11.774 1.00 0.00 O ATOM 0 H GLU A 108 -8.174 17.186 13.284 1.00 0.00 H new ATOM 0 HA GLU A 108 -7.876 14.875 11.508 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.336 14.821 11.628 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.619 14.806 13.227 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.267 16.366 13.565 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.960 17.429 13.080 1.00 0.00 H new ATOM 1828 N SER A 109 -8.781 17.888 10.576 1.00 0.00 N ATOM 1829 CA SER A 109 -8.987 18.751 9.419 1.00 0.00 C ATOM 1830 C SER A 109 -8.015 19.927 9.439 1.00 0.00 C ATOM 1831 O SER A 109 -8.343 21.024 8.987 1.00 0.00 O ATOM 1832 CB SER A 109 -10.428 19.265 9.389 1.00 0.00 C ATOM 1833 OG SER A 109 -10.754 19.938 10.592 1.00 0.00 O ATOM 0 H SER A 109 -8.770 18.378 11.471 1.00 0.00 H new ATOM 0 HA SER A 109 -8.800 18.163 8.520 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.559 19.941 8.544 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.112 18.430 9.239 1.00 0.00 H new ATOM 0 HG SER A 109 -11.568 19.549 10.974 1.00 0.00 H new ATOM 1839 N GLN A 110 -6.819 19.690 9.968 1.00 0.00 N ATOM 1840 CA GLN A 110 -5.800 20.729 10.048 1.00 0.00 C ATOM 1841 C GLN A 110 -4.732 20.529 8.979 1.00 0.00 C ATOM 1842 O GLN A 110 -4.567 21.363 8.089 1.00 0.00 O ATOM 1843 CB GLN A 110 -5.155 20.734 11.436 1.00 0.00 C ATOM 1844 CG GLN A 110 -4.325 21.976 11.716 1.00 0.00 C ATOM 1845 CD GLN A 110 -3.607 21.910 13.049 1.00 0.00 C ATOM 1846 OE1 GLN A 110 -4.200 21.559 14.070 1.00 0.00 O ATOM 1847 NE2 GLN A 110 -2.322 22.246 13.048 1.00 0.00 N ATOM 0 H GLN A 110 -6.532 18.788 10.347 1.00 0.00 H new ATOM 0 HA GLN A 110 -6.284 21.691 9.876 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -5.937 20.652 12.191 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.521 19.853 11.536 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -3.593 22.106 10.919 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -4.973 22.852 11.700 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -1.870 22.531 12.179 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -1.787 22.219 13.916 1.00 0.00 H new ATOM 1856 N GLU A 111 -4.009 19.417 9.073 1.00 0.00 N ATOM 1857 CA GLU A 111 -2.955 19.109 8.113 1.00 0.00 C ATOM 1858 C GLU A 111 -3.547 18.619 6.794 1.00 0.00 C ATOM 1859 O GLU A 111 -3.119 17.601 6.248 1.00 0.00 O ATOM 1860 CB GLU A 111 -2.008 18.051 8.683 1.00 0.00 C ATOM 1861 CG GLU A 111 -2.707 16.764 9.088 1.00 0.00 C ATOM 1862 CD GLU A 111 -2.761 15.750 7.962 1.00 0.00 C ATOM 1863 OE1 GLU A 111 -1.735 15.576 7.271 1.00 0.00 O ATOM 1864 OE2 GLU A 111 -3.829 15.131 7.771 1.00 0.00 O ATOM 0 H GLU A 111 -4.134 18.716 9.803 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.394 20.024 7.923 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -1.244 17.821 7.940 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -1.495 18.465 9.551 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.189 16.327 9.941 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.721 16.993 9.414 1.00 0.00 H new ATOM 1871 N LEU A 112 -4.534 19.350 6.288 1.00 0.00 N ATOM 1872 CA LEU A 112 -5.187 18.991 5.034 1.00 0.00 C ATOM 1873 C LEU A 112 -5.171 20.162 4.057 1.00 0.00 C ATOM 1874 O LEU A 112 -4.856 19.997 2.879 1.00 0.00 O ATOM 1875 CB LEU A 112 -6.628 18.548 5.294 1.00 0.00 C ATOM 1876 CG LEU A 112 -6.802 17.161 5.913 1.00 0.00 C ATOM 1877 CD1 LEU A 112 -8.264 16.907 6.248 1.00 0.00 C ATOM 1878 CD2 LEU A 112 -6.275 16.087 4.972 1.00 0.00 C ATOM 0 H LEU A 112 -4.900 20.195 6.727 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.634 18.163 4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.099 19.279 5.951 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.171 18.573 4.349 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.225 17.121 6.837 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.370 15.915 6.688 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.610 17.658 6.959 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.861 16.966 5.338 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.407 15.106 5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.824 16.126 4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.216 16.259 4.781 1.00 0.00 H new