USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 805 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 106 THR OG1 : rot 180:sc= 0.0372 USER MOD Set 1.2: A 109 LYS NZ :NH3+ 140:sc= 0.158 (180deg=0) USER MOD Set 2.1: A 55 SER OG : rot -97:sc= 0.902 USER MOD Set 2.2: A 64 HIS : no HD1:sc= -0.769 K(o=0.13,f=-11!) USER MOD Set 3.1: A 35 HIS : no HD1:sc= -3.99! K(o=-4.8!,f=-2.9) USER MOD Set 3.2: A 39 THR OG1 : rot -119:sc= -0.84 USER MOD Set 4.1: A 23 MET CE :methyl 168:sc= -4.91! (180deg=-5.4!) USER MOD Set 4.2: A 27 GLN : amide:sc= -4.72! C(o=-9.6!,f=-8.2!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -29:sc= 0.824 USER MOD Single : A 16 TYR OH : rot 165:sc= -0.356 USER MOD Single : A 22 ASN : amide:sc= -0.838 K(o=-0.84,f=-4.6!) USER MOD Single : A 26 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.44) USER MOD Single : A 28 THR OG1 : rot 67:sc= -0.449 USER MOD Single : A 30 ASN : amide:sc= -1.86! C(o=-1.9!,f=-3.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 121:sc= 0.58 USER MOD Single : A 57 LYS NZ :NH3+ -176:sc= -1.32 (180deg=-1.42) USER MOD Single : A 59 ASN : amide:sc= -3.31! C(o=-3.3!,f=-6!) USER MOD Single : A 63 LYS NZ :NH3+ -136:sc= -1.66 (180deg=-2.39) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.0357 X(o=-0.036,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 77 THR OG1 : rot -50:sc= 0.566 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 19:sc= 1.23 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot -60:sc= 1.04 USER MOD Single : A 93 GLN : amide:sc= -0.799 X(o=-0.8,f=-0.84) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -5.01! C(o=-5!,f=-14!) USER MOD Single : A 96 SER OG : rot 180:sc= -0.0839 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -104:sc= 1.52 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot 27:sc= 0.0625 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 52:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 116 N ILE A 11 1.794 -11.339 -8.890 1.00 0.00 N ATOM 117 CA ILE A 11 2.069 -10.098 -9.602 1.00 0.00 C ATOM 118 C ILE A 11 3.304 -9.404 -9.037 1.00 0.00 C ATOM 119 O ILE A 11 3.561 -9.451 -7.833 1.00 0.00 O ATOM 120 CB ILE A 11 0.873 -9.131 -9.531 1.00 0.00 C ATOM 121 CG1 ILE A 11 -0.370 -9.777 -10.147 1.00 0.00 C ATOM 122 CG2 ILE A 11 1.204 -7.826 -10.239 1.00 0.00 C ATOM 123 CD1 ILE A 11 -1.668 -9.175 -9.657 1.00 0.00 C ATOM 0 HA ILE A 11 2.248 -10.364 -10.644 1.00 0.00 H new ATOM 0 HB ILE A 11 0.664 -8.911 -8.484 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.320 -9.680 -11.232 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.365 -10.843 -9.921 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.349 -7.153 -10.180 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.066 -7.361 -9.760 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.435 -8.028 -11.285 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.507 -9.681 -10.135 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.740 -9.295 -8.576 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.694 -8.114 -9.907 1.00 0.00 H new ATOM 135 N ASP A 12 4.065 -8.757 -9.913 1.00 0.00 N ATOM 136 CA ASP A 12 5.272 -8.049 -9.502 1.00 0.00 C ATOM 137 C ASP A 12 4.949 -6.615 -9.092 1.00 0.00 C ATOM 138 O ASP A 12 4.707 -5.756 -9.940 1.00 0.00 O ATOM 139 CB ASP A 12 6.300 -8.050 -10.634 1.00 0.00 C ATOM 140 CG ASP A 12 7.634 -7.470 -10.205 1.00 0.00 C ATOM 141 OD1 ASP A 12 7.652 -6.666 -9.249 1.00 0.00 O ATOM 142 OD2 ASP A 12 8.660 -7.820 -10.825 1.00 0.00 O ATOM 0 H ASP A 12 3.867 -8.708 -10.912 1.00 0.00 H new ATOM 0 HA ASP A 12 5.692 -8.568 -8.640 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.447 -9.071 -10.986 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.911 -7.476 -11.475 1.00 0.00 H new ATOM 147 N TYR A 13 4.945 -6.365 -7.788 1.00 0.00 N ATOM 148 CA TYR A 13 4.648 -5.036 -7.265 1.00 0.00 C ATOM 149 C TYR A 13 5.915 -4.192 -7.169 1.00 0.00 C ATOM 150 O TYR A 13 5.883 -2.977 -7.363 1.00 0.00 O ATOM 151 CB TYR A 13 3.986 -5.143 -5.891 1.00 0.00 C ATOM 152 CG TYR A 13 2.935 -6.226 -5.806 1.00 0.00 C ATOM 153 CD1 TYR A 13 1.820 -6.205 -6.634 1.00 0.00 C ATOM 154 CD2 TYR A 13 3.057 -7.269 -4.896 1.00 0.00 C ATOM 155 CE1 TYR A 13 0.857 -7.192 -6.560 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.099 -8.262 -4.817 1.00 0.00 C ATOM 157 CZ TYR A 13 1.000 -8.219 -5.650 1.00 0.00 C ATOM 158 OH TYR A 13 0.044 -9.205 -5.572 1.00 0.00 O ATOM 0 H TYR A 13 5.144 -7.065 -7.073 1.00 0.00 H new ATOM 0 HA TYR A 13 3.960 -4.547 -7.955 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.754 -5.334 -5.141 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.529 -4.185 -5.642 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.704 -5.403 -7.348 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.914 -7.304 -4.240 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.004 -7.160 -7.211 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.210 -9.068 -4.107 1.00 0.00 H new ATOM 0 HH TYR A 13 0.297 -9.852 -4.881 1.00 0.00 H new ATOM 168 N THR A 14 7.033 -4.847 -6.869 1.00 0.00 N ATOM 169 CA THR A 14 8.311 -4.160 -6.745 1.00 0.00 C ATOM 170 C THR A 14 8.699 -3.483 -8.055 1.00 0.00 C ATOM 171 O THR A 14 9.609 -2.654 -8.091 1.00 0.00 O ATOM 172 CB THR A 14 9.433 -5.129 -6.330 1.00 0.00 C ATOM 173 OG1 THR A 14 9.750 -6.008 -7.416 1.00 0.00 O ATOM 174 CG2 THR A 14 9.020 -5.946 -5.115 1.00 0.00 C ATOM 0 H THR A 14 7.078 -5.853 -6.708 1.00 0.00 H new ATOM 0 HA THR A 14 8.189 -3.404 -5.969 1.00 0.00 H new ATOM 0 HB THR A 14 10.313 -4.540 -6.071 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.955 -6.140 -7.973 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.828 -6.623 -4.840 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.808 -5.277 -4.281 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.127 -6.524 -5.352 1.00 0.00 H new ATOM 182 N ALA A 15 8.004 -3.840 -9.129 1.00 0.00 N ATOM 183 CA ALA A 15 8.275 -3.264 -10.441 1.00 0.00 C ATOM 184 C ALA A 15 7.718 -1.849 -10.545 1.00 0.00 C ATOM 185 O ALA A 15 8.220 -1.029 -11.315 1.00 0.00 O ATOM 186 CB ALA A 15 7.690 -4.146 -11.535 1.00 0.00 C ATOM 0 H ALA A 15 7.249 -4.525 -9.117 1.00 0.00 H new ATOM 0 HA ALA A 15 9.356 -3.211 -10.571 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.899 -3.704 -12.509 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.139 -5.138 -11.482 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.612 -4.228 -11.398 1.00 0.00 H new ATOM 192 N TYR A 16 6.680 -1.568 -9.766 1.00 0.00 N ATOM 193 CA TYR A 16 6.053 -0.251 -9.774 1.00 0.00 C ATOM 194 C TYR A 16 6.919 0.769 -9.042 1.00 0.00 C ATOM 195 O TYR A 16 7.631 0.448 -8.090 1.00 0.00 O ATOM 196 CB TYR A 16 4.668 -0.319 -9.126 1.00 0.00 C ATOM 197 CG TYR A 16 3.634 -1.017 -9.980 1.00 0.00 C ATOM 198 CD1 TYR A 16 3.104 -0.400 -11.106 1.00 0.00 C ATOM 199 CD2 TYR A 16 3.185 -2.292 -9.660 1.00 0.00 C ATOM 200 CE1 TYR A 16 2.158 -1.033 -11.889 1.00 0.00 C ATOM 201 CE2 TYR A 16 2.241 -2.934 -10.437 1.00 0.00 C ATOM 202 CZ TYR A 16 1.730 -2.300 -11.551 1.00 0.00 C ATOM 203 OH TYR A 16 0.788 -2.935 -12.327 1.00 0.00 O ATOM 0 H TYR A 16 6.255 -2.234 -9.121 1.00 0.00 H new ATOM 0 HA TYR A 16 5.947 0.067 -10.811 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.748 -0.838 -8.171 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.326 0.694 -8.911 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.437 0.592 -11.374 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.581 -2.790 -8.788 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.756 -0.539 -12.761 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.905 -3.926 -10.174 1.00 0.00 H new ATOM 0 HH TYR A 16 0.770 -3.889 -12.104 1.00 0.00 H new ATOM 213 N PRO A 17 6.859 2.029 -9.497 1.00 0.00 N ATOM 214 CA PRO A 17 7.630 3.124 -8.900 1.00 0.00 C ATOM 215 C PRO A 17 7.128 3.497 -7.510 1.00 0.00 C ATOM 216 O PRO A 17 7.894 3.964 -6.667 1.00 0.00 O ATOM 217 CB PRO A 17 7.415 4.282 -9.877 1.00 0.00 C ATOM 218 CG PRO A 17 6.115 3.981 -10.541 1.00 0.00 C ATOM 219 CD PRO A 17 6.033 2.483 -10.628 1.00 0.00 C ATOM 0 HA PRO A 17 8.677 2.856 -8.759 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.381 5.239 -9.356 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.226 4.343 -10.603 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.281 4.385 -9.967 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.069 4.433 -11.532 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.005 2.131 -10.541 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.417 2.114 -11.579 1.00 0.00 H new ATOM 227 N TRP A 18 5.837 3.289 -7.278 1.00 0.00 N ATOM 228 CA TRP A 18 5.232 3.603 -5.989 1.00 0.00 C ATOM 229 C TRP A 18 5.554 2.527 -4.959 1.00 0.00 C ATOM 230 O TRP A 18 4.987 2.509 -3.865 1.00 0.00 O ATOM 231 CB TRP A 18 3.716 3.749 -6.135 1.00 0.00 C ATOM 232 CG TRP A 18 3.096 2.683 -6.988 1.00 0.00 C ATOM 233 CD1 TRP A 18 2.635 2.822 -8.266 1.00 0.00 C ATOM 234 CD2 TRP A 18 2.870 1.318 -6.623 1.00 0.00 C ATOM 235 NE1 TRP A 18 2.134 1.624 -8.717 1.00 0.00 N ATOM 236 CE2 TRP A 18 2.268 0.685 -7.728 1.00 0.00 C ATOM 237 CE3 TRP A 18 3.119 0.567 -5.471 1.00 0.00 C ATOM 238 CZ2 TRP A 18 1.911 -0.660 -7.712 1.00 0.00 C ATOM 239 CZ3 TRP A 18 2.764 -0.769 -5.457 1.00 0.00 C ATOM 240 CH2 TRP A 18 2.166 -1.371 -6.572 1.00 0.00 C ATOM 0 H TRP A 18 5.189 2.904 -7.966 1.00 0.00 H new ATOM 0 HA TRP A 18 5.649 4.548 -5.642 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.259 3.724 -5.146 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.492 4.725 -6.566 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.660 3.738 -8.838 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.728 1.461 -9.638 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.580 1.022 -4.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 1.449 -1.126 -8.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.951 -1.359 -4.572 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.901 -2.417 -6.530 1.00 0.00 H new ATOM 251 N PHE A 19 6.468 1.629 -5.313 1.00 0.00 N ATOM 252 CA PHE A 19 6.865 0.548 -4.418 1.00 0.00 C ATOM 253 C PHE A 19 7.940 1.016 -3.443 1.00 0.00 C ATOM 254 O PHE A 19 8.927 1.634 -3.839 1.00 0.00 O ATOM 255 CB PHE A 19 7.378 -0.648 -5.225 1.00 0.00 C ATOM 256 CG PHE A 19 8.243 -1.581 -4.427 1.00 0.00 C ATOM 257 CD1 PHE A 19 7.676 -2.567 -3.637 1.00 0.00 C ATOM 258 CD2 PHE A 19 9.624 -1.473 -4.469 1.00 0.00 C ATOM 259 CE1 PHE A 19 8.469 -3.427 -2.902 1.00 0.00 C ATOM 260 CE2 PHE A 19 10.423 -2.331 -3.737 1.00 0.00 C ATOM 261 CZ PHE A 19 9.844 -3.310 -2.953 1.00 0.00 C ATOM 0 H PHE A 19 6.948 1.629 -6.213 1.00 0.00 H new ATOM 0 HA PHE A 19 5.989 0.243 -3.846 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.526 -1.202 -5.619 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.945 -0.282 -6.081 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.601 -2.665 -3.595 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.081 -0.709 -5.081 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.014 -4.190 -2.288 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.498 -2.236 -3.778 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.466 -3.983 -2.381 1.00 0.00 H new ATOM 271 N ALA A 20 7.739 0.717 -2.163 1.00 0.00 N ATOM 272 CA ALA A 20 8.690 1.106 -1.129 1.00 0.00 C ATOM 273 C ALA A 20 9.240 -0.116 -0.401 1.00 0.00 C ATOM 274 O ALA A 20 10.424 -0.175 -0.075 1.00 0.00 O ATOM 275 CB ALA A 20 8.036 2.061 -0.142 1.00 0.00 C ATOM 0 H ALA A 20 6.926 0.207 -1.818 1.00 0.00 H new ATOM 0 HA ALA A 20 9.525 1.615 -1.611 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.758 2.343 0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.699 2.954 -0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.182 1.572 0.326 1.00 0.00 H new ATOM 281 N GLY A 21 8.370 -1.089 -0.149 1.00 0.00 N ATOM 282 CA GLY A 21 8.788 -2.297 0.540 1.00 0.00 C ATOM 283 C GLY A 21 9.016 -2.069 2.021 1.00 0.00 C ATOM 284 O GLY A 21 8.301 -1.295 2.654 1.00 0.00 O ATOM 0 H GLY A 21 7.384 -1.063 -0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.030 -3.069 0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.706 -2.671 0.087 1.00 0.00 H new ATOM 288 N ASN A 22 10.016 -2.747 2.574 1.00 0.00 N ATOM 289 CA ASN A 22 10.335 -2.618 3.992 1.00 0.00 C ATOM 290 C ASN A 22 10.776 -1.195 4.322 1.00 0.00 C ATOM 291 O ASN A 22 11.964 -0.926 4.499 1.00 0.00 O ATOM 292 CB ASN A 22 11.436 -3.607 4.381 1.00 0.00 C ATOM 293 CG ASN A 22 12.684 -3.445 3.534 1.00 0.00 C ATOM 294 OD1 ASN A 22 12.678 -2.735 2.530 1.00 0.00 O ATOM 295 ND2 ASN A 22 13.762 -4.107 3.939 1.00 0.00 N ATOM 0 H ASN A 22 10.619 -3.391 2.063 1.00 0.00 H new ATOM 0 HA ASN A 22 9.435 -2.844 4.563 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.692 -3.467 5.431 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.060 -4.625 4.278 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.632 -4.038 3.410 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.720 -4.684 4.779 1.00 0.00 H new ATOM 302 N MET A 23 9.809 -0.286 4.405 1.00 0.00 N ATOM 303 CA MET A 23 10.096 1.109 4.715 1.00 0.00 C ATOM 304 C MET A 23 9.801 1.412 6.181 1.00 0.00 C ATOM 305 O MET A 23 8.932 0.788 6.789 1.00 0.00 O ATOM 306 CB MET A 23 9.273 2.034 3.816 1.00 0.00 C ATOM 307 CG MET A 23 9.604 3.507 3.995 1.00 0.00 C ATOM 308 SD MET A 23 10.901 4.069 2.875 1.00 0.00 S ATOM 309 CE MET A 23 9.997 5.250 1.877 1.00 0.00 C ATOM 0 H MET A 23 8.820 -0.491 4.262 1.00 0.00 H new ATOM 0 HA MET A 23 11.156 1.285 4.532 1.00 0.00 H new ATOM 0 HB2 MET A 23 9.438 1.757 2.775 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.214 1.880 4.023 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.705 4.100 3.830 1.00 0.00 H new ATOM 0 HG3 MET A 23 9.917 3.683 5.024 1.00 0.00 H new ATOM 0 HE1 MET A 23 10.698 5.837 1.284 1.00 0.00 H new ATOM 0 HE2 MET A 23 9.315 4.719 1.213 1.00 0.00 H new ATOM 0 HE3 MET A 23 9.427 5.914 2.526 1.00 0.00 H new ATOM 319 N GLU A 24 10.531 2.371 6.741 1.00 0.00 N ATOM 320 CA GLU A 24 10.346 2.755 8.137 1.00 0.00 C ATOM 321 C GLU A 24 9.430 3.969 8.251 1.00 0.00 C ATOM 322 O GLU A 24 9.644 4.985 7.589 1.00 0.00 O ATOM 323 CB GLU A 24 11.697 3.057 8.787 1.00 0.00 C ATOM 324 CG GLU A 24 12.617 3.899 7.919 1.00 0.00 C ATOM 325 CD GLU A 24 13.894 4.295 8.634 1.00 0.00 C ATOM 326 OE1 GLU A 24 14.353 3.520 9.499 1.00 0.00 O ATOM 327 OE2 GLU A 24 14.433 5.379 8.329 1.00 0.00 O ATOM 0 H GLU A 24 11.255 2.896 6.251 1.00 0.00 H new ATOM 0 HA GLU A 24 9.878 1.920 8.659 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.528 3.575 9.731 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.195 2.117 9.023 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.868 3.342 7.016 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.089 4.798 7.602 1.00 0.00 H new ATOM 334 N ARG A 25 8.409 3.856 9.094 1.00 0.00 N ATOM 335 CA ARG A 25 7.460 4.943 9.294 1.00 0.00 C ATOM 336 C ARG A 25 8.177 6.290 9.345 1.00 0.00 C ATOM 337 O ARG A 25 7.753 7.253 8.707 1.00 0.00 O ATOM 338 CB ARG A 25 6.667 4.726 10.584 1.00 0.00 C ATOM 339 CG ARG A 25 5.470 5.651 10.728 1.00 0.00 C ATOM 340 CD ARG A 25 5.845 6.942 11.439 1.00 0.00 C ATOM 341 NE ARG A 25 6.397 6.694 12.768 1.00 0.00 N ATOM 342 CZ ARG A 25 6.573 7.644 13.679 1.00 0.00 C ATOM 343 NH1 ARG A 25 6.241 8.898 13.408 1.00 0.00 N ATOM 344 NH2 ARG A 25 7.081 7.340 14.867 1.00 0.00 N ATOM 0 H ARG A 25 8.218 3.022 9.649 1.00 0.00 H new ATOM 0 HA ARG A 25 6.771 4.950 8.449 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.323 3.692 10.619 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.331 4.870 11.437 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.066 5.882 9.742 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.682 5.144 11.284 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.574 7.487 10.840 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.964 7.578 11.525 1.00 0.00 H new ATOM 0 HE ARG A 25 6.662 5.739 13.010 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.849 9.136 12.497 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.378 9.625 14.110 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.337 6.376 15.081 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.216 8.070 15.566 1.00 0.00 H new ATOM 358 N GLN A 26 9.263 6.347 10.109 1.00 0.00 N ATOM 359 CA GLN A 26 10.038 7.574 10.244 1.00 0.00 C ATOM 360 C GLN A 26 10.423 8.128 8.876 1.00 0.00 C ATOM 361 O GLN A 26 10.153 9.289 8.569 1.00 0.00 O ATOM 362 CB GLN A 26 11.295 7.320 11.076 1.00 0.00 C ATOM 363 CG GLN A 26 12.278 6.365 10.418 1.00 0.00 C ATOM 364 CD GLN A 26 13.295 5.809 11.395 1.00 0.00 C ATOM 365 OE1 GLN A 26 14.338 6.419 11.638 1.00 0.00 O ATOM 366 NE2 GLN A 26 12.997 4.646 11.963 1.00 0.00 N ATOM 0 H GLN A 26 9.626 5.558 10.644 1.00 0.00 H new ATOM 0 HA GLN A 26 9.417 8.311 10.753 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.795 8.270 11.263 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.003 6.917 12.046 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.729 5.541 9.963 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.799 6.884 9.613 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.122 4.175 11.733 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.643 4.224 12.630 1.00 0.00 H new ATOM 375 N GLN A 27 11.054 7.291 8.060 1.00 0.00 N ATOM 376 CA GLN A 27 11.477 7.698 6.725 1.00 0.00 C ATOM 377 C GLN A 27 10.272 8.011 5.844 1.00 0.00 C ATOM 378 O GLN A 27 10.294 8.958 5.057 1.00 0.00 O ATOM 379 CB GLN A 27 12.325 6.600 6.078 1.00 0.00 C ATOM 380 CG GLN A 27 12.991 7.030 4.782 1.00 0.00 C ATOM 381 CD GLN A 27 13.190 5.878 3.818 1.00 0.00 C ATOM 382 OE1 GLN A 27 13.628 4.796 4.207 1.00 0.00 O ATOM 383 NE2 GLN A 27 12.867 6.105 2.549 1.00 0.00 N ATOM 0 H GLN A 27 11.284 6.327 8.299 1.00 0.00 H new ATOM 0 HA GLN A 27 12.078 8.602 6.822 1.00 0.00 H new ATOM 0 HB2 GLN A 27 13.093 6.283 6.783 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.694 5.733 5.882 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.384 7.798 4.303 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.957 7.482 5.007 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.507 7.018 2.270 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.979 5.367 1.854 1.00 0.00 H new ATOM 392 N THR A 28 9.220 7.211 5.983 1.00 0.00 N ATOM 393 CA THR A 28 8.006 7.402 5.199 1.00 0.00 C ATOM 394 C THR A 28 7.396 8.775 5.456 1.00 0.00 C ATOM 395 O THR A 28 7.086 9.513 4.521 1.00 0.00 O ATOM 396 CB THR A 28 6.957 6.320 5.515 1.00 0.00 C ATOM 397 OG1 THR A 28 7.590 5.040 5.619 1.00 0.00 O ATOM 398 CG2 THR A 28 5.885 6.274 4.437 1.00 0.00 C ATOM 0 H THR A 28 9.184 6.424 6.631 1.00 0.00 H new ATOM 0 HA THR A 28 8.292 7.325 4.150 1.00 0.00 H new ATOM 0 HB THR A 28 6.484 6.570 6.465 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.172 5.026 6.407 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.155 5.502 4.682 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.385 7.241 4.380 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.345 6.046 3.476 1.00 0.00 H new ATOM 406 N ASP A 29 7.227 9.113 6.731 1.00 0.00 N ATOM 407 CA ASP A 29 6.655 10.399 7.111 1.00 0.00 C ATOM 408 C ASP A 29 7.649 11.530 6.865 1.00 0.00 C ATOM 409 O ASP A 29 7.265 12.637 6.492 1.00 0.00 O ATOM 410 CB ASP A 29 6.239 10.381 8.582 1.00 0.00 C ATOM 411 CG ASP A 29 5.068 11.302 8.864 1.00 0.00 C ATOM 412 OD1 ASP A 29 5.203 12.521 8.631 1.00 0.00 O ATOM 413 OD2 ASP A 29 4.016 10.804 9.319 1.00 0.00 O ATOM 0 H ASP A 29 7.478 8.514 7.518 1.00 0.00 H new ATOM 0 HA ASP A 29 5.774 10.573 6.494 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.974 9.363 8.869 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.087 10.676 9.200 1.00 0.00 H new ATOM 418 N ASN A 30 8.929 11.243 7.080 1.00 0.00 N ATOM 419 CA ASN A 30 9.978 12.235 6.883 1.00 0.00 C ATOM 420 C ASN A 30 10.076 12.641 5.415 1.00 0.00 C ATOM 421 O ASN A 30 10.411 13.783 5.095 1.00 0.00 O ATOM 422 CB ASN A 30 11.324 11.688 7.363 1.00 0.00 C ATOM 423 CG ASN A 30 11.420 11.634 8.876 1.00 0.00 C ATOM 424 OD1 ASN A 30 10.634 12.266 9.581 1.00 0.00 O ATOM 425 ND2 ASN A 30 12.387 10.876 9.380 1.00 0.00 N ATOM 0 H ASN A 30 9.264 10.331 7.391 1.00 0.00 H new ATOM 0 HA ASN A 30 9.722 13.118 7.469 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.472 10.688 6.956 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.127 12.313 6.973 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.501 10.800 10.391 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.016 10.370 8.756 1.00 0.00 H new ATOM 432 N LEU A 31 9.781 11.699 4.526 1.00 0.00 N ATOM 433 CA LEU A 31 9.835 11.957 3.092 1.00 0.00 C ATOM 434 C LEU A 31 8.470 12.386 2.564 1.00 0.00 C ATOM 435 O LEU A 31 8.374 13.237 1.678 1.00 0.00 O ATOM 436 CB LEU A 31 10.313 10.710 2.346 1.00 0.00 C ATOM 437 CG LEU A 31 9.251 9.645 2.070 1.00 0.00 C ATOM 438 CD1 LEU A 31 8.554 9.917 0.746 1.00 0.00 C ATOM 439 CD2 LEU A 31 9.875 8.256 2.071 1.00 0.00 C ATOM 0 H LEU A 31 9.502 10.750 4.773 1.00 0.00 H new ATOM 0 HA LEU A 31 10.542 12.769 2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.741 11.023 1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.117 10.252 2.922 1.00 0.00 H new ATOM 0 HG LEU A 31 8.506 9.687 2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.802 9.149 0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.073 10.895 0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.287 9.903 -0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.105 7.511 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.641 8.201 1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.327 8.061 3.043 1.00 0.00 H new ATOM 451 N LEU A 32 7.415 11.795 3.116 1.00 0.00 N ATOM 452 CA LEU A 32 6.054 12.117 2.703 1.00 0.00 C ATOM 453 C LEU A 32 5.654 13.507 3.186 1.00 0.00 C ATOM 454 O LEU A 32 5.113 14.310 2.424 1.00 0.00 O ATOM 455 CB LEU A 32 5.075 11.074 3.245 1.00 0.00 C ATOM 456 CG LEU A 32 5.008 9.754 2.479 1.00 0.00 C ATOM 457 CD1 LEU A 32 4.189 8.730 3.249 1.00 0.00 C ATOM 458 CD2 LEU A 32 4.425 9.971 1.090 1.00 0.00 C ATOM 0 H LEU A 32 7.477 11.090 3.851 1.00 0.00 H new ATOM 0 HA LEU A 32 6.019 12.107 1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.342 10.857 4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.078 11.514 3.259 1.00 0.00 H new ATOM 0 HG LEU A 32 6.022 9.369 2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.153 7.796 2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.650 8.551 4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.176 9.107 3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.385 9.020 0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.418 10.380 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.053 10.669 0.537 1.00 0.00 H new ATOM 470 N LYS A 33 5.924 13.787 4.456 1.00 0.00 N ATOM 471 CA LYS A 33 5.595 15.082 5.042 1.00 0.00 C ATOM 472 C LYS A 33 5.915 16.215 4.071 1.00 0.00 C ATOM 473 O LYS A 33 5.105 17.119 3.869 1.00 0.00 O ATOM 474 CB LYS A 33 6.366 15.283 6.349 1.00 0.00 C ATOM 475 CG LYS A 33 7.870 15.369 6.161 1.00 0.00 C ATOM 476 CD LYS A 33 8.588 15.558 7.488 1.00 0.00 C ATOM 477 CE LYS A 33 8.417 16.973 8.017 1.00 0.00 C ATOM 478 NZ LYS A 33 9.585 17.404 8.836 1.00 0.00 N ATOM 0 H LYS A 33 6.370 13.134 5.100 1.00 0.00 H new ATOM 0 HA LYS A 33 4.525 15.098 5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.016 16.196 6.831 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.139 14.459 7.025 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.230 14.461 5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.108 16.199 5.496 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.201 14.846 8.217 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.649 15.341 7.363 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.286 17.660 7.181 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.510 17.028 8.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.430 18.374 9.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.695 16.764 9.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.446 17.376 8.254 1.00 0.00 H new ATOM 492 N SER A 34 7.100 16.158 3.472 1.00 0.00 N ATOM 493 CA SER A 34 7.527 17.180 2.525 1.00 0.00 C ATOM 494 C SER A 34 6.688 17.126 1.252 1.00 0.00 C ATOM 495 O SER A 34 6.315 18.160 0.695 1.00 0.00 O ATOM 496 CB SER A 34 9.007 17.001 2.180 1.00 0.00 C ATOM 497 OG SER A 34 9.604 18.239 1.835 1.00 0.00 O ATOM 0 H SER A 34 7.781 15.415 3.626 1.00 0.00 H new ATOM 0 HA SER A 34 7.385 18.154 2.993 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.532 16.565 3.030 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.108 16.301 1.350 1.00 0.00 H new ATOM 0 HG SER A 34 10.550 18.098 1.621 1.00 0.00 H new ATOM 503 N HIS A 35 6.392 15.913 0.796 1.00 0.00 N ATOM 504 CA HIS A 35 5.595 15.722 -0.410 1.00 0.00 C ATOM 505 C HIS A 35 4.277 16.483 -0.317 1.00 0.00 C ATOM 506 O HIS A 35 4.040 17.219 0.641 1.00 0.00 O ATOM 507 CB HIS A 35 5.324 14.235 -0.639 1.00 0.00 C ATOM 508 CG HIS A 35 6.358 13.562 -1.488 1.00 0.00 C ATOM 509 ND1 HIS A 35 6.708 14.009 -2.744 1.00 0.00 N ATOM 510 CD2 HIS A 35 7.119 12.466 -1.254 1.00 0.00 C ATOM 511 CE1 HIS A 35 7.640 13.218 -3.246 1.00 0.00 C ATOM 512 NE2 HIS A 35 7.906 12.274 -2.362 1.00 0.00 N ATOM 0 H HIS A 35 6.692 15.047 1.244 1.00 0.00 H new ATOM 0 HA HIS A 35 6.161 16.114 -1.255 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.273 13.730 0.326 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.348 14.120 -1.110 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.108 11.857 -0.362 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.105 13.325 -4.215 1.00 0.00 H new ATOM 0 HE2 HIS A 35 8.586 11.524 -2.483 1.00 0.00 H new ATOM 521 N ALA A 36 3.420 16.301 -1.318 1.00 0.00 N ATOM 522 CA ALA A 36 2.126 16.969 -1.346 1.00 0.00 C ATOM 523 C ALA A 36 1.032 16.070 -0.781 1.00 0.00 C ATOM 524 O ALA A 36 1.306 14.974 -0.293 1.00 0.00 O ATOM 525 CB ALA A 36 1.782 17.392 -2.768 1.00 0.00 C ATOM 0 H ALA A 36 3.600 15.696 -2.119 1.00 0.00 H new ATOM 0 HA ALA A 36 2.190 17.858 -0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.812 17.890 -2.775 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.545 18.077 -3.138 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.742 16.512 -3.410 1.00 0.00 H new ATOM 531 N SER A 37 -0.210 16.542 -0.850 1.00 0.00 N ATOM 532 CA SER A 37 -1.346 15.782 -0.341 1.00 0.00 C ATOM 533 C SER A 37 -1.839 14.780 -1.381 1.00 0.00 C ATOM 534 O SER A 37 -3.000 14.374 -1.365 1.00 0.00 O ATOM 535 CB SER A 37 -2.482 16.727 0.054 1.00 0.00 C ATOM 536 OG SER A 37 -2.068 17.626 1.068 1.00 0.00 O ATOM 0 H SER A 37 -0.454 17.447 -1.253 1.00 0.00 H new ATOM 0 HA SER A 37 -1.018 15.231 0.541 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.814 17.287 -0.820 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.336 16.147 0.404 1.00 0.00 H new ATOM 0 HG SER A 37 -2.811 18.220 1.302 1.00 0.00 H new ATOM 542 N GLY A 38 -0.947 14.386 -2.284 1.00 0.00 N ATOM 543 CA GLY A 38 -1.310 13.436 -3.320 1.00 0.00 C ATOM 544 C GLY A 38 -0.297 12.317 -3.460 1.00 0.00 C ATOM 545 O GLY A 38 -0.521 11.353 -4.194 1.00 0.00 O ATOM 0 H GLY A 38 0.020 14.707 -2.317 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.288 13.011 -3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.403 13.959 -4.272 1.00 0.00 H new ATOM 549 N THR A 39 0.823 12.442 -2.756 1.00 0.00 N ATOM 550 CA THR A 39 1.875 11.436 -2.806 1.00 0.00 C ATOM 551 C THR A 39 1.471 10.179 -2.043 1.00 0.00 C ATOM 552 O THR A 39 1.060 10.249 -0.884 1.00 0.00 O ATOM 553 CB THR A 39 3.197 11.972 -2.224 1.00 0.00 C ATOM 554 OG1 THR A 39 3.647 13.096 -2.989 1.00 0.00 O ATOM 555 CG2 THR A 39 4.266 10.891 -2.223 1.00 0.00 C ATOM 0 H THR A 39 1.025 13.232 -2.143 1.00 0.00 H new ATOM 0 HA THR A 39 2.024 11.189 -3.857 1.00 0.00 H new ATOM 0 HB THR A 39 3.017 12.282 -1.195 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.523 12.896 -3.381 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.190 11.293 -1.808 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.932 10.049 -1.616 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.444 10.554 -3.244 1.00 0.00 H new ATOM 563 N TYR A 40 1.590 9.030 -2.700 1.00 0.00 N ATOM 564 CA TYR A 40 1.235 7.758 -2.083 1.00 0.00 C ATOM 565 C TYR A 40 2.310 6.706 -2.345 1.00 0.00 C ATOM 566 O TYR A 40 3.145 6.865 -3.236 1.00 0.00 O ATOM 567 CB TYR A 40 -0.113 7.268 -2.614 1.00 0.00 C ATOM 568 CG TYR A 40 -0.036 6.668 -4.001 1.00 0.00 C ATOM 569 CD1 TYR A 40 0.140 7.473 -5.119 1.00 0.00 C ATOM 570 CD2 TYR A 40 -0.138 5.295 -4.191 1.00 0.00 C ATOM 571 CE1 TYR A 40 0.210 6.929 -6.387 1.00 0.00 C ATOM 572 CE2 TYR A 40 -0.068 4.743 -5.456 1.00 0.00 C ATOM 573 CZ TYR A 40 0.106 5.564 -6.550 1.00 0.00 C ATOM 574 OH TYR A 40 0.177 5.019 -7.811 1.00 0.00 O ATOM 0 H TYR A 40 1.929 8.954 -3.659 1.00 0.00 H new ATOM 0 HA TYR A 40 1.159 7.914 -1.007 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.516 6.524 -1.927 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.814 8.102 -2.627 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.224 8.543 -4.995 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.274 4.649 -3.336 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.345 7.570 -7.246 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.149 3.674 -5.587 1.00 0.00 H new ATOM 0 HH TYR A 40 0.926 4.388 -7.853 1.00 0.00 H new ATOM 584 N LEU A 41 2.282 5.633 -1.563 1.00 0.00 N ATOM 585 CA LEU A 41 3.252 4.554 -1.710 1.00 0.00 C ATOM 586 C LEU A 41 2.739 3.269 -1.068 1.00 0.00 C ATOM 587 O LEU A 41 1.767 3.287 -0.312 1.00 0.00 O ATOM 588 CB LEU A 41 4.588 4.954 -1.079 1.00 0.00 C ATOM 589 CG LEU A 41 4.768 4.594 0.395 1.00 0.00 C ATOM 590 CD1 LEU A 41 5.280 3.169 0.539 1.00 0.00 C ATOM 591 CD2 LEU A 41 5.717 5.574 1.071 1.00 0.00 C ATOM 0 H LEU A 41 1.598 5.487 -0.821 1.00 0.00 H new ATOM 0 HA LEU A 41 3.399 4.373 -2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.391 4.484 -1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.710 6.032 -1.187 1.00 0.00 H new ATOM 0 HG LEU A 41 3.797 4.660 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.402 2.931 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.565 2.479 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.241 3.075 0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.834 5.303 2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.688 5.540 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.310 6.583 1.000 1.00 0.00 H new ATOM 603 N ILE A 42 3.398 2.157 -1.374 1.00 0.00 N ATOM 604 CA ILE A 42 3.010 0.863 -0.824 1.00 0.00 C ATOM 605 C ILE A 42 4.192 0.178 -0.145 1.00 0.00 C ATOM 606 O ILE A 42 5.130 -0.266 -0.808 1.00 0.00 O ATOM 607 CB ILE A 42 2.449 -0.066 -1.916 1.00 0.00 C ATOM 608 CG1 ILE A 42 1.016 0.334 -2.271 1.00 0.00 C ATOM 609 CG2 ILE A 42 2.500 -1.516 -1.455 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.935 1.509 -3.220 1.00 0.00 C ATOM 0 H ILE A 42 4.203 2.125 -2.000 1.00 0.00 H new ATOM 0 HA ILE A 42 2.231 1.053 -0.086 1.00 0.00 H new ATOM 0 HB ILE A 42 3.066 0.034 -2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.509 -0.521 -2.719 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.478 0.579 -1.355 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.100 -2.161 -2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.533 -1.796 -1.247 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.904 -1.631 -0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.110 1.737 -3.428 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.413 2.377 -2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.444 1.260 -4.151 1.00 0.00 H new ATOM 622 N ARG A 43 4.138 0.092 1.180 1.00 0.00 N ATOM 623 CA ARG A 43 5.203 -0.540 1.948 1.00 0.00 C ATOM 624 C ARG A 43 4.823 -1.968 2.329 1.00 0.00 C ATOM 625 O ARG A 43 3.666 -2.366 2.208 1.00 0.00 O ATOM 626 CB ARG A 43 5.502 0.273 3.209 1.00 0.00 C ATOM 627 CG ARG A 43 4.319 0.386 4.157 1.00 0.00 C ATOM 628 CD ARG A 43 4.395 1.652 4.994 1.00 0.00 C ATOM 629 NE ARG A 43 5.583 1.676 5.844 1.00 0.00 N ATOM 630 CZ ARG A 43 5.665 2.371 6.974 1.00 0.00 C ATOM 631 NH1 ARG A 43 4.633 3.094 7.387 1.00 0.00 N ATOM 632 NH2 ARG A 43 6.779 2.341 7.693 1.00 0.00 N ATOM 0 H ARG A 43 3.368 0.452 1.744 1.00 0.00 H new ATOM 0 HA ARG A 43 6.097 -0.573 1.325 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.337 -0.186 3.737 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.821 1.274 2.918 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.391 0.382 3.585 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.293 -0.484 4.813 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.402 2.521 4.336 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.503 1.730 5.616 1.00 0.00 H new ATOM 0 HE ARG A 43 6.394 1.129 5.554 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.774 3.118 6.837 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.698 3.627 8.254 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.574 1.784 7.379 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.841 2.875 8.560 1.00 0.00 H new ATOM 646 N GLU A 44 5.809 -2.734 2.788 1.00 0.00 N ATOM 647 CA GLU A 44 5.578 -4.118 3.185 1.00 0.00 C ATOM 648 C GLU A 44 5.881 -4.317 4.667 1.00 0.00 C ATOM 649 O GLU A 44 6.830 -3.743 5.201 1.00 0.00 O ATOM 650 CB GLU A 44 6.441 -5.063 2.346 1.00 0.00 C ATOM 651 CG GLU A 44 6.395 -6.507 2.815 1.00 0.00 C ATOM 652 CD GLU A 44 6.965 -7.472 1.793 1.00 0.00 C ATOM 653 OE1 GLU A 44 8.108 -7.248 1.341 1.00 0.00 O ATOM 654 OE2 GLU A 44 6.269 -8.447 1.444 1.00 0.00 O ATOM 0 H GLU A 44 6.774 -2.420 2.894 1.00 0.00 H new ATOM 0 HA GLU A 44 4.526 -4.348 3.013 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.112 -5.016 1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.474 -4.715 2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.952 -6.600 3.747 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.363 -6.782 3.032 1.00 0.00 H new ATOM 749 N ARG A 51 1.179 -8.209 5.952 1.00 0.00 N ATOM 750 CA ARG A 51 1.882 -8.623 4.743 1.00 0.00 C ATOM 751 C ARG A 51 2.147 -7.428 3.833 1.00 0.00 C ATOM 752 O ARG A 51 3.241 -7.280 3.287 1.00 0.00 O ATOM 753 CB ARG A 51 1.070 -9.680 3.993 1.00 0.00 C ATOM 754 CG ARG A 51 1.431 -9.793 2.520 1.00 0.00 C ATOM 755 CD ARG A 51 1.239 -11.211 2.007 1.00 0.00 C ATOM 756 NE ARG A 51 2.449 -12.015 2.153 1.00 0.00 N ATOM 757 CZ ARG A 51 2.481 -13.333 1.986 1.00 0.00 C ATOM 758 NH1 ARG A 51 1.374 -13.992 1.670 1.00 0.00 N ATOM 759 NH2 ARG A 51 3.622 -13.994 2.137 1.00 0.00 N ATOM 0 HA ARG A 51 2.840 -9.052 5.038 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.220 -10.648 4.471 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.010 -9.442 4.082 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.813 -9.108 1.939 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.468 -9.489 2.374 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.421 -11.685 2.550 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.949 -11.180 0.957 1.00 0.00 H new ATOM 0 HE ARG A 51 3.318 -11.539 2.397 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.495 -13.487 1.555 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.402 -15.004 1.542 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.475 -13.490 2.381 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.646 -15.006 2.009 1.00 0.00 H new ATOM 773 N PHE A 52 1.138 -6.578 3.672 1.00 0.00 N ATOM 774 CA PHE A 52 1.261 -5.397 2.825 1.00 0.00 C ATOM 775 C PHE A 52 0.707 -4.162 3.530 1.00 0.00 C ATOM 776 O PHE A 52 -0.097 -4.272 4.456 1.00 0.00 O ATOM 777 CB PHE A 52 0.527 -5.613 1.501 1.00 0.00 C ATOM 778 CG PHE A 52 1.234 -6.557 0.570 1.00 0.00 C ATOM 779 CD1 PHE A 52 2.556 -6.339 0.215 1.00 0.00 C ATOM 780 CD2 PHE A 52 0.578 -7.662 0.052 1.00 0.00 C ATOM 781 CE1 PHE A 52 3.210 -7.207 -0.641 1.00 0.00 C ATOM 782 CE2 PHE A 52 1.226 -8.532 -0.803 1.00 0.00 C ATOM 783 CZ PHE A 52 2.543 -8.303 -1.151 1.00 0.00 C ATOM 0 H PHE A 52 0.226 -6.685 4.117 1.00 0.00 H new ATOM 0 HA PHE A 52 2.320 -5.235 2.623 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.471 -5.999 1.707 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.401 -4.651 1.004 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.081 -5.482 0.611 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.452 -7.845 0.320 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.241 -7.028 -0.910 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.704 -9.390 -1.199 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.051 -8.981 -1.821 1.00 0.00 H new ATOM 793 N ALA A 53 1.145 -2.989 3.087 1.00 0.00 N ATOM 794 CA ALA A 53 0.692 -1.733 3.674 1.00 0.00 C ATOM 795 C ALA A 53 0.651 -0.623 2.630 1.00 0.00 C ATOM 796 O ALA A 53 1.309 -0.708 1.592 1.00 0.00 O ATOM 797 CB ALA A 53 1.596 -1.337 4.833 1.00 0.00 C ATOM 0 H ALA A 53 1.813 -2.881 2.324 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.320 -1.880 4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.247 -0.398 5.262 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.572 -2.116 5.595 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.617 -1.214 4.472 1.00 0.00 H new ATOM 803 N ILE A 54 -0.127 0.417 2.910 1.00 0.00 N ATOM 804 CA ILE A 54 -0.255 1.544 1.994 1.00 0.00 C ATOM 805 C ILE A 54 -0.163 2.871 2.740 1.00 0.00 C ATOM 806 O ILE A 54 -0.923 3.124 3.673 1.00 0.00 O ATOM 807 CB ILE A 54 -1.586 1.494 1.220 1.00 0.00 C ATOM 808 CG1 ILE A 54 -1.773 0.121 0.572 1.00 0.00 C ATOM 809 CG2 ILE A 54 -1.629 2.592 0.169 1.00 0.00 C ATOM 810 CD1 ILE A 54 -3.206 -0.178 0.194 1.00 0.00 C ATOM 0 H ILE A 54 -0.678 0.503 3.764 1.00 0.00 H new ATOM 0 HA ILE A 54 0.570 1.470 1.285 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.404 1.658 1.922 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.150 0.062 -0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.419 -0.647 1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.576 2.543 -0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.537 3.564 0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.805 2.457 -0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.264 -1.167 -0.260 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.831 -0.151 1.087 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.558 0.569 -0.518 1.00 0.00 H new ATOM 822 N SER A 55 0.774 3.716 2.320 1.00 0.00 N ATOM 823 CA SER A 55 0.967 5.017 2.949 1.00 0.00 C ATOM 824 C SER A 55 0.707 6.145 1.955 1.00 0.00 C ATOM 825 O SER A 55 1.278 6.169 0.864 1.00 0.00 O ATOM 826 CB SER A 55 2.387 5.131 3.508 1.00 0.00 C ATOM 827 OG SER A 55 2.552 4.312 4.653 1.00 0.00 O ATOM 0 H SER A 55 1.411 3.523 1.547 1.00 0.00 H new ATOM 0 HA SER A 55 0.253 5.107 3.768 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.107 4.841 2.743 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.597 6.169 3.766 1.00 0.00 H new ATOM 0 HG SER A 55 2.433 4.853 5.462 1.00 0.00 H new ATOM 833 N ILE A 56 -0.157 7.077 2.341 1.00 0.00 N ATOM 834 CA ILE A 56 -0.492 8.209 1.485 1.00 0.00 C ATOM 835 C ILE A 56 -0.544 9.506 2.285 1.00 0.00 C ATOM 836 O ILE A 56 -1.065 9.542 3.399 1.00 0.00 O ATOM 837 CB ILE A 56 -1.845 7.999 0.779 1.00 0.00 C ATOM 838 CG1 ILE A 56 -1.977 6.552 0.301 1.00 0.00 C ATOM 839 CG2 ILE A 56 -1.989 8.965 -0.388 1.00 0.00 C ATOM 840 CD1 ILE A 56 -2.456 5.602 1.375 1.00 0.00 C ATOM 0 H ILE A 56 -0.638 7.071 3.240 1.00 0.00 H new ATOM 0 HA ILE A 56 0.294 8.280 0.733 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.645 8.200 1.492 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.671 6.517 -0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.010 6.211 -0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.950 8.804 -0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.935 9.990 -0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.185 8.794 -1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.526 4.595 0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.751 5.607 2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.437 5.918 1.729 1.00 0.00 H new ATOM 852 N LYS A 57 0.000 10.572 1.706 1.00 0.00 N ATOM 853 CA LYS A 57 0.014 11.874 2.363 1.00 0.00 C ATOM 854 C LYS A 57 -1.311 12.600 2.158 1.00 0.00 C ATOM 855 O LYS A 57 -1.789 12.737 1.031 1.00 0.00 O ATOM 856 CB LYS A 57 1.164 12.728 1.822 1.00 0.00 C ATOM 857 CG LYS A 57 1.212 14.127 2.411 1.00 0.00 C ATOM 858 CD LYS A 57 1.530 14.095 3.897 1.00 0.00 C ATOM 859 CE LYS A 57 1.766 15.494 4.447 1.00 0.00 C ATOM 860 NZ LYS A 57 0.620 16.403 4.159 1.00 0.00 N ATOM 0 H LYS A 57 0.436 10.560 0.784 1.00 0.00 H new ATOM 0 HA LYS A 57 0.159 11.713 3.431 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.108 12.224 2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.072 12.802 0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.966 14.717 1.889 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.254 14.622 2.253 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.708 13.625 4.436 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.415 13.482 4.068 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.925 15.439 5.524 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.676 15.907 4.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.847 17.363 4.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.441 16.422 3.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.229 16.059 4.652 1.00 0.00 H new ATOM 874 N PHE A 58 -1.900 13.067 3.254 1.00 0.00 N ATOM 875 CA PHE A 58 -3.170 13.781 3.195 1.00 0.00 C ATOM 876 C PHE A 58 -3.540 14.348 4.563 1.00 0.00 C ATOM 877 O PHE A 58 -3.248 13.747 5.596 1.00 0.00 O ATOM 878 CB PHE A 58 -4.280 12.850 2.701 1.00 0.00 C ATOM 879 CG PHE A 58 -5.612 13.529 2.555 1.00 0.00 C ATOM 880 CD1 PHE A 58 -6.454 13.673 3.646 1.00 0.00 C ATOM 881 CD2 PHE A 58 -6.021 14.025 1.328 1.00 0.00 C ATOM 882 CE1 PHE A 58 -7.680 14.296 3.515 1.00 0.00 C ATOM 883 CE2 PHE A 58 -7.246 14.650 1.190 1.00 0.00 C ATOM 884 CZ PHE A 58 -8.076 14.787 2.286 1.00 0.00 C ATOM 0 H PHE A 58 -1.518 12.964 4.194 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.060 14.609 2.495 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.989 12.429 1.739 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.380 12.017 3.396 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.148 13.294 4.610 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.375 13.922 0.469 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.328 14.399 4.373 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.554 15.031 0.227 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.033 15.277 2.182 1.00 0.00 H new ATOM 894 N ASN A 59 -4.183 15.512 4.560 1.00 0.00 N ATOM 895 CA ASN A 59 -4.591 16.162 5.800 1.00 0.00 C ATOM 896 C ASN A 59 -3.380 16.477 6.673 1.00 0.00 C ATOM 897 O ASN A 59 -3.389 16.225 7.877 1.00 0.00 O ATOM 898 CB ASN A 59 -5.571 15.273 6.568 1.00 0.00 C ATOM 899 CG ASN A 59 -7.015 15.542 6.189 1.00 0.00 C ATOM 900 OD1 ASN A 59 -7.308 16.478 5.444 1.00 0.00 O ATOM 901 ND2 ASN A 59 -7.923 14.722 6.702 1.00 0.00 N ATOM 0 H ASN A 59 -4.432 16.024 3.713 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.086 17.099 5.544 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.336 14.226 6.374 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.443 15.436 7.638 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.911 14.854 6.484 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.634 13.960 7.315 1.00 0.00 H new ATOM 908 N ASP A 60 -2.342 17.031 6.058 1.00 0.00 N ATOM 909 CA ASP A 60 -1.124 17.382 6.779 1.00 0.00 C ATOM 910 C ASP A 60 -0.702 16.253 7.715 1.00 0.00 C ATOM 911 O ASP A 60 -0.072 16.491 8.745 1.00 0.00 O ATOM 912 CB ASP A 60 -1.331 18.671 7.575 1.00 0.00 C ATOM 913 CG ASP A 60 -1.319 19.903 6.693 1.00 0.00 C ATOM 914 OD1 ASP A 60 -0.259 20.203 6.106 1.00 0.00 O ATOM 915 OD2 ASP A 60 -2.371 20.570 6.590 1.00 0.00 O ATOM 0 H ASP A 60 -2.319 17.247 5.061 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.331 17.539 6.048 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.281 18.618 8.107 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.548 18.759 8.328 1.00 0.00 H new ATOM 920 N GLU A 61 -1.055 15.024 7.349 1.00 0.00 N ATOM 921 CA GLU A 61 -0.714 13.860 8.159 1.00 0.00 C ATOM 922 C GLU A 61 -0.563 12.617 7.287 1.00 0.00 C ATOM 923 O GLU A 61 -1.399 12.344 6.424 1.00 0.00 O ATOM 924 CB GLU A 61 -1.785 13.621 9.225 1.00 0.00 C ATOM 925 CG GLU A 61 -1.529 14.366 10.524 1.00 0.00 C ATOM 926 CD GLU A 61 -2.738 14.382 11.437 1.00 0.00 C ATOM 927 OE1 GLU A 61 -3.690 15.138 11.150 1.00 0.00 O ATOM 928 OE2 GLU A 61 -2.734 13.637 12.440 1.00 0.00 O ATOM 0 H GLU A 61 -1.576 14.809 6.499 1.00 0.00 H new ATOM 0 HA GLU A 61 0.239 14.057 8.650 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.754 13.923 8.828 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.845 12.553 9.434 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.691 13.902 11.045 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.236 15.391 10.298 1.00 0.00 H new ATOM 935 N VAL A 62 0.509 11.867 7.518 1.00 0.00 N ATOM 936 CA VAL A 62 0.771 10.652 6.754 1.00 0.00 C ATOM 937 C VAL A 62 -0.037 9.478 7.294 1.00 0.00 C ATOM 938 O VAL A 62 0.170 9.035 8.425 1.00 0.00 O ATOM 939 CB VAL A 62 2.267 10.286 6.779 1.00 0.00 C ATOM 940 CG1 VAL A 62 2.512 8.992 6.017 1.00 0.00 C ATOM 941 CG2 VAL A 62 3.103 11.420 6.203 1.00 0.00 C ATOM 0 H VAL A 62 1.210 12.079 8.228 1.00 0.00 H new ATOM 0 HA VAL A 62 0.470 10.853 5.726 1.00 0.00 H new ATOM 0 HB VAL A 62 2.569 10.133 7.815 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.574 8.749 6.045 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.943 8.185 6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.195 9.114 4.981 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.157 11.144 6.229 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.802 11.607 5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.950 12.322 6.795 1.00 0.00 H new ATOM 951 N LYS A 63 -0.961 8.978 6.480 1.00 0.00 N ATOM 952 CA LYS A 63 -1.801 7.853 6.874 1.00 0.00 C ATOM 953 C LYS A 63 -1.140 6.527 6.512 1.00 0.00 C ATOM 954 O LYS A 63 -0.378 6.445 5.547 1.00 0.00 O ATOM 955 CB LYS A 63 -3.171 7.953 6.201 1.00 0.00 C ATOM 956 CG LYS A 63 -3.811 9.325 6.324 1.00 0.00 C ATOM 957 CD LYS A 63 -4.074 9.689 7.777 1.00 0.00 C ATOM 958 CE LYS A 63 -4.948 10.929 7.891 1.00 0.00 C ATOM 959 NZ LYS A 63 -4.136 12.177 7.942 1.00 0.00 N ATOM 0 H LYS A 63 -1.147 9.335 5.543 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.931 7.890 7.956 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.067 7.703 5.145 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.837 7.210 6.640 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.160 10.073 5.873 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.749 9.341 5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.559 8.853 8.281 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.126 9.862 8.287 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.629 10.973 7.041 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.563 10.859 8.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.512 12.806 8.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.147 11.939 8.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.181 12.658 7.021 1.00 0.00 H new ATOM 973 N HIS A 64 -1.438 5.490 7.290 1.00 0.00 N ATOM 974 CA HIS A 64 -0.873 4.167 7.048 1.00 0.00 C ATOM 975 C HIS A 64 -1.935 3.086 7.215 1.00 0.00 C ATOM 976 O HIS A 64 -2.485 2.904 8.303 1.00 0.00 O ATOM 977 CB HIS A 64 0.293 3.905 8.001 1.00 0.00 C ATOM 978 CG HIS A 64 1.311 5.003 8.018 1.00 0.00 C ATOM 979 ND1 HIS A 64 2.379 5.052 7.145 1.00 0.00 N ATOM 980 CD2 HIS A 64 1.422 6.097 8.807 1.00 0.00 C ATOM 981 CE1 HIS A 64 3.102 6.128 7.399 1.00 0.00 C ATOM 982 NE2 HIS A 64 2.542 6.780 8.401 1.00 0.00 N ATOM 0 H HIS A 64 -2.066 5.541 8.092 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.506 4.137 6.022 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.097 3.767 9.009 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.781 2.973 7.717 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.754 6.380 9.607 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.999 6.424 6.876 1.00 0.00 H new ATOM 0 HE2 HIS A 64 2.886 7.650 8.808 1.00 0.00 H new ATOM 991 N ILE A 65 -2.222 2.370 6.132 1.00 0.00 N ATOM 992 CA ILE A 65 -3.217 1.307 6.160 1.00 0.00 C ATOM 993 C ILE A 65 -2.555 -0.066 6.196 1.00 0.00 C ATOM 994 O ILE A 65 -1.460 -0.253 5.666 1.00 0.00 O ATOM 995 CB ILE A 65 -4.153 1.381 4.939 1.00 0.00 C ATOM 996 CG1 ILE A 65 -4.783 2.772 4.835 1.00 0.00 C ATOM 997 CG2 ILE A 65 -5.231 0.311 5.032 1.00 0.00 C ATOM 998 CD1 ILE A 65 -5.170 3.155 3.423 1.00 0.00 C ATOM 0 H ILE A 65 -1.778 2.508 5.224 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.804 1.448 7.068 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.566 1.200 4.039 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.669 2.809 5.469 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.081 3.510 5.224 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.884 0.376 4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.765 -0.674 5.062 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.817 0.463 5.938 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.610 4.152 3.424 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.284 3.150 2.789 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.896 2.439 3.038 1.00 0.00 H new ATOM 1010 N LYS A 66 -3.228 -1.024 6.824 1.00 0.00 N ATOM 1011 CA LYS A 66 -2.707 -2.382 6.928 1.00 0.00 C ATOM 1012 C LYS A 66 -3.423 -3.316 5.956 1.00 0.00 C ATOM 1013 O LYS A 66 -4.559 -3.726 6.196 1.00 0.00 O ATOM 1014 CB LYS A 66 -2.864 -2.902 8.358 1.00 0.00 C ATOM 1015 CG LYS A 66 -2.221 -2.007 9.404 1.00 0.00 C ATOM 1016 CD LYS A 66 -2.648 -2.397 10.810 1.00 0.00 C ATOM 1017 CE LYS A 66 -4.114 -2.080 11.056 1.00 0.00 C ATOM 1018 NZ LYS A 66 -4.433 -2.021 12.510 1.00 0.00 N ATOM 0 H LYS A 66 -4.135 -0.885 7.269 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.648 -2.359 6.670 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.925 -3.006 8.584 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.425 -3.898 8.424 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.136 -2.071 9.321 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.495 -0.969 9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.475 -3.462 10.961 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.033 -1.868 11.538 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.362 -1.126 10.591 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.735 -2.838 10.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.442 -1.803 12.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.220 -2.939 12.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.860 -1.280 12.961 1.00 0.00 H new ATOM 1032 N VAL A 67 -2.751 -3.648 4.858 1.00 0.00 N ATOM 1033 CA VAL A 67 -3.322 -4.534 3.851 1.00 0.00 C ATOM 1034 C VAL A 67 -3.244 -5.991 4.294 1.00 0.00 C ATOM 1035 O VAL A 67 -2.227 -6.656 4.099 1.00 0.00 O ATOM 1036 CB VAL A 67 -2.604 -4.381 2.497 1.00 0.00 C ATOM 1037 CG1 VAL A 67 -3.205 -5.323 1.464 1.00 0.00 C ATOM 1038 CG2 VAL A 67 -2.672 -2.939 2.018 1.00 0.00 C ATOM 0 H VAL A 67 -1.811 -3.317 4.644 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.367 -4.248 3.733 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.555 -4.647 2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.685 -5.201 0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.099 -6.353 1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.262 -5.091 1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.160 -2.849 1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.715 -2.643 1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.190 -2.290 2.749 1.00 0.00 H new ATOM 1048 N VAL A 68 -4.325 -6.481 4.891 1.00 0.00 N ATOM 1049 CA VAL A 68 -4.381 -7.861 5.361 1.00 0.00 C ATOM 1050 C VAL A 68 -4.522 -8.832 4.195 1.00 0.00 C ATOM 1051 O VAL A 68 -5.044 -8.477 3.139 1.00 0.00 O ATOM 1052 CB VAL A 68 -5.552 -8.074 6.338 1.00 0.00 C ATOM 1053 CG1 VAL A 68 -5.685 -9.545 6.699 1.00 0.00 C ATOM 1054 CG2 VAL A 68 -5.364 -7.225 7.586 1.00 0.00 C ATOM 0 H VAL A 68 -5.175 -5.943 5.061 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.444 -8.057 5.882 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.474 -7.760 5.848 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.518 -9.676 7.390 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.869 -10.126 5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.764 -9.889 7.171 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.200 -7.387 8.266 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.434 -7.506 8.081 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.323 -6.172 7.307 1.00 0.00 H new ATOM 1064 N GLU A 69 -4.055 -10.061 4.395 1.00 0.00 N ATOM 1065 CA GLU A 69 -4.130 -11.084 3.360 1.00 0.00 C ATOM 1066 C GLU A 69 -4.656 -12.399 3.930 1.00 0.00 C ATOM 1067 O GLU A 69 -3.939 -13.117 4.627 1.00 0.00 O ATOM 1068 CB GLU A 69 -2.753 -11.303 2.728 1.00 0.00 C ATOM 1069 CG GLU A 69 -2.807 -12.010 1.384 1.00 0.00 C ATOM 1070 CD GLU A 69 -3.061 -13.499 1.517 1.00 0.00 C ATOM 1071 OE1 GLU A 69 -2.238 -14.187 2.157 1.00 0.00 O ATOM 1072 OE2 GLU A 69 -4.083 -13.977 0.982 1.00 0.00 O ATOM 0 H GLU A 69 -3.621 -10.371 5.264 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.823 -10.738 2.593 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.262 -10.338 2.602 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.137 -11.887 3.412 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.593 -11.564 0.775 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.866 -11.852 0.856 1.00 0.00 H new ATOM 1079 N LYS A 70 -5.912 -12.706 3.630 1.00 0.00 N ATOM 1080 CA LYS A 70 -6.536 -13.933 4.111 1.00 0.00 C ATOM 1081 C LYS A 70 -7.312 -14.624 2.994 1.00 0.00 C ATOM 1082 O LYS A 70 -7.826 -13.969 2.086 1.00 0.00 O ATOM 1083 CB LYS A 70 -7.471 -13.629 5.283 1.00 0.00 C ATOM 1084 CG LYS A 70 -7.622 -14.784 6.258 1.00 0.00 C ATOM 1085 CD LYS A 70 -6.592 -14.711 7.372 1.00 0.00 C ATOM 1086 CE LYS A 70 -5.181 -14.918 6.843 1.00 0.00 C ATOM 1087 NZ LYS A 70 -4.251 -15.385 7.908 1.00 0.00 N ATOM 0 H LYS A 70 -6.519 -12.122 3.055 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.746 -14.604 4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.095 -12.758 5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.454 -13.363 4.893 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.624 -14.771 6.686 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.516 -15.728 5.724 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.658 -13.742 7.866 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.814 -15.468 8.124 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.200 -15.647 6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.811 -13.983 6.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.300 -15.514 7.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.212 -14.678 8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.590 -16.290 8.293 1.00 0.00 H new ATOM 1101 N ASP A 71 -7.394 -15.947 3.068 1.00 0.00 N ATOM 1102 CA ASP A 71 -8.110 -16.725 2.063 1.00 0.00 C ATOM 1103 C ASP A 71 -7.618 -16.387 0.660 1.00 0.00 C ATOM 1104 O ASP A 71 -8.404 -16.311 -0.283 1.00 0.00 O ATOM 1105 CB ASP A 71 -9.615 -16.468 2.165 1.00 0.00 C ATOM 1106 CG ASP A 71 -10.208 -17.006 3.452 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -10.171 -16.283 4.471 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -10.711 -18.149 3.442 1.00 0.00 O ATOM 0 H ASP A 71 -6.974 -16.504 3.813 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.915 -17.781 2.251 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.803 -15.396 2.102 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.118 -16.930 1.316 1.00 0.00 H new ATOM 1113 N ASN A 72 -6.310 -16.183 0.530 1.00 0.00 N ATOM 1114 CA ASN A 72 -5.713 -15.851 -0.757 1.00 0.00 C ATOM 1115 C ASN A 72 -6.316 -14.567 -1.323 1.00 0.00 C ATOM 1116 O ASN A 72 -6.393 -14.389 -2.538 1.00 0.00 O ATOM 1117 CB ASN A 72 -5.912 -16.999 -1.748 1.00 0.00 C ATOM 1118 CG ASN A 72 -4.802 -17.076 -2.777 1.00 0.00 C ATOM 1119 OD1 ASN A 72 -3.731 -17.623 -2.513 1.00 0.00 O ATOM 1120 ND2 ASN A 72 -5.052 -16.524 -3.959 1.00 0.00 N ATOM 0 H ASN A 72 -5.645 -16.242 1.301 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.646 -15.694 -0.603 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.963 -17.941 -1.202 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.867 -16.873 -2.257 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.342 -16.543 -4.691 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.954 -16.081 -4.135 1.00 0.00 H new ATOM 1127 N TRP A 73 -6.741 -13.679 -0.432 1.00 0.00 N ATOM 1128 CA TRP A 73 -7.336 -12.412 -0.841 1.00 0.00 C ATOM 1129 C TRP A 73 -6.674 -11.241 -0.122 1.00 0.00 C ATOM 1130 O TRP A 73 -5.935 -11.434 0.845 1.00 0.00 O ATOM 1131 CB TRP A 73 -8.839 -12.416 -0.559 1.00 0.00 C ATOM 1132 CG TRP A 73 -9.526 -13.667 -1.017 1.00 0.00 C ATOM 1133 CD1 TRP A 73 -10.374 -14.450 -0.287 1.00 0.00 C ATOM 1134 CD2 TRP A 73 -9.421 -14.278 -2.307 1.00 0.00 C ATOM 1135 NE1 TRP A 73 -10.803 -15.512 -1.047 1.00 0.00 N ATOM 1136 CE2 TRP A 73 -10.233 -15.430 -2.290 1.00 0.00 C ATOM 1137 CE3 TRP A 73 -8.723 -13.965 -3.476 1.00 0.00 C ATOM 1138 CZ2 TRP A 73 -10.363 -16.265 -3.396 1.00 0.00 C ATOM 1139 CZ3 TRP A 73 -8.852 -14.795 -4.573 1.00 0.00 C ATOM 1140 CH2 TRP A 73 -9.668 -15.934 -4.527 1.00 0.00 C ATOM 0 H TRP A 73 -6.685 -13.813 0.578 1.00 0.00 H new ATOM 0 HA TRP A 73 -7.175 -12.293 -1.912 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.001 -12.292 0.512 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -9.296 -11.558 -1.052 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.665 -14.263 0.736 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -11.443 -16.243 -0.736 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.093 -13.089 -3.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -10.990 -17.143 -3.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -8.315 -14.562 -5.481 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -9.750 -16.562 -5.401 1.00 0.00 H new ATOM 1151 N ILE A 74 -6.944 -10.031 -0.598 1.00 0.00 N ATOM 1152 CA ILE A 74 -6.375 -8.831 0.002 1.00 0.00 C ATOM 1153 C ILE A 74 -7.445 -7.766 0.222 1.00 0.00 C ATOM 1154 O ILE A 74 -8.180 -7.410 -0.699 1.00 0.00 O ATOM 1155 CB ILE A 74 -5.253 -8.241 -0.874 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -3.924 -8.937 -0.574 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -5.136 -6.742 -0.645 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -3.002 -9.020 -1.771 1.00 0.00 C ATOM 0 H ILE A 74 -7.553 -9.855 -1.397 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.957 -9.127 0.964 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.502 -8.410 -1.922 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.416 -8.403 0.229 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.125 -9.944 -0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.339 -6.339 -1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.079 -6.260 -0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.906 -6.551 0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.079 -9.525 -1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.490 -9.580 -2.568 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.771 -8.015 -2.123 1.00 0.00 H new ATOM 1170 N HIS A 75 -7.524 -7.261 1.449 1.00 0.00 N ATOM 1171 CA HIS A 75 -8.503 -6.234 1.791 1.00 0.00 C ATOM 1172 C HIS A 75 -8.044 -5.429 3.003 1.00 0.00 C ATOM 1173 O HIS A 75 -7.065 -5.782 3.661 1.00 0.00 O ATOM 1174 CB HIS A 75 -9.864 -6.871 2.072 1.00 0.00 C ATOM 1175 CG HIS A 75 -9.773 -8.205 2.745 1.00 0.00 C ATOM 1176 ND1 HIS A 75 -9.097 -8.407 3.929 1.00 0.00 N ATOM 1177 CD2 HIS A 75 -10.282 -9.411 2.394 1.00 0.00 C ATOM 1178 CE1 HIS A 75 -9.190 -9.678 4.276 1.00 0.00 C ATOM 1179 NE2 HIS A 75 -9.905 -10.309 3.362 1.00 0.00 N ATOM 0 H HIS A 75 -6.923 -7.545 2.222 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.596 -5.557 0.942 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -10.449 -6.197 2.697 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.404 -6.984 1.132 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -10.874 -9.626 1.516 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -8.755 -10.125 5.158 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -10.139 -11.302 3.373 1.00 0.00 H new ATOM 1188 N ILE A 76 -8.758 -4.345 3.291 1.00 0.00 N ATOM 1189 CA ILE A 76 -8.424 -3.491 4.424 1.00 0.00 C ATOM 1190 C ILE A 76 -9.680 -3.046 5.165 1.00 0.00 C ATOM 1191 O ILE A 76 -10.737 -2.853 4.562 1.00 0.00 O ATOM 1192 CB ILE A 76 -7.637 -2.246 3.977 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -8.427 -1.469 2.922 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -6.272 -2.647 3.437 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -7.857 -0.098 2.629 1.00 0.00 C ATOM 0 H ILE A 76 -9.570 -4.038 2.756 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.801 -4.084 5.094 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.487 -1.599 4.841 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.452 -2.048 1.999 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.458 -1.361 3.258 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.728 -1.756 3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.709 -3.162 4.216 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.400 -3.312 2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.467 0.396 1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.857 0.499 3.541 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.836 -0.199 2.262 1.00 0.00 H new ATOM 1207 N THR A 77 -9.558 -2.883 6.479 1.00 0.00 N ATOM 1208 CA THR A 77 -10.683 -2.460 7.305 1.00 0.00 C ATOM 1209 C THR A 77 -11.977 -3.129 6.857 1.00 0.00 C ATOM 1210 O THR A 77 -13.066 -2.596 7.062 1.00 0.00 O ATOM 1211 CB THR A 77 -10.868 -0.931 7.261 1.00 0.00 C ATOM 1212 OG1 THR A 77 -11.786 -0.519 8.279 1.00 0.00 O ATOM 1213 CG2 THR A 77 -11.381 -0.487 5.898 1.00 0.00 C ATOM 0 H THR A 77 -8.691 -3.038 6.994 1.00 0.00 H new ATOM 0 HA THR A 77 -10.456 -2.763 8.327 1.00 0.00 H new ATOM 0 HB THR A 77 -9.899 -0.465 7.437 1.00 0.00 H new ATOM 0 HG1 THR A 77 -12.600 -1.063 8.225 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.504 0.596 5.891 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.666 -0.776 5.128 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.341 -0.963 5.698 1.00 0.00 H new ATOM 1221 N GLU A 78 -11.848 -4.303 6.243 1.00 0.00 N ATOM 1222 CA GLU A 78 -13.009 -5.045 5.767 1.00 0.00 C ATOM 1223 C GLU A 78 -13.972 -4.128 5.018 1.00 0.00 C ATOM 1224 O GLU A 78 -15.174 -4.127 5.276 1.00 0.00 O ATOM 1225 CB GLU A 78 -13.732 -5.713 6.938 1.00 0.00 C ATOM 1226 CG GLU A 78 -13.156 -7.067 7.316 1.00 0.00 C ATOM 1227 CD GLU A 78 -13.875 -7.700 8.492 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -14.072 -7.003 9.510 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -14.240 -8.889 8.396 1.00 0.00 O ATOM 0 H GLU A 78 -10.953 -4.759 6.065 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.658 -5.815 5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.688 -5.054 7.805 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.785 -5.834 6.683 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.215 -7.735 6.457 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.100 -6.953 7.560 1.00 0.00 H new ATOM 1236 N ALA A 79 -13.432 -3.347 4.087 1.00 0.00 N ATOM 1237 CA ALA A 79 -14.242 -2.426 3.299 1.00 0.00 C ATOM 1238 C ALA A 79 -14.622 -3.040 1.957 1.00 0.00 C ATOM 1239 O ALA A 79 -15.783 -2.996 1.548 1.00 0.00 O ATOM 1240 CB ALA A 79 -13.498 -1.115 3.090 1.00 0.00 C ATOM 0 H ALA A 79 -12.438 -3.334 3.860 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.161 -2.226 3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.115 -0.437 2.500 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.282 -0.661 4.057 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.563 -1.307 2.563 1.00 0.00 H new ATOM 1246 N LYS A 80 -13.638 -3.614 1.273 1.00 0.00 N ATOM 1247 CA LYS A 80 -13.868 -4.238 -0.024 1.00 0.00 C ATOM 1248 C LYS A 80 -12.739 -5.202 -0.373 1.00 0.00 C ATOM 1249 O LYS A 80 -11.563 -4.896 -0.173 1.00 0.00 O ATOM 1250 CB LYS A 80 -13.995 -3.170 -1.112 1.00 0.00 C ATOM 1251 CG LYS A 80 -14.005 -3.735 -2.522 1.00 0.00 C ATOM 1252 CD LYS A 80 -15.418 -4.043 -2.990 1.00 0.00 C ATOM 1253 CE LYS A 80 -16.180 -2.772 -3.333 1.00 0.00 C ATOM 1254 NZ LYS A 80 -17.647 -2.933 -3.132 1.00 0.00 N ATOM 0 H LYS A 80 -12.672 -3.660 1.596 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.799 -4.802 0.033 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.913 -2.605 -0.950 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.167 -2.467 -1.017 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.542 -3.022 -3.204 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.404 -4.644 -2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.380 -4.693 -3.864 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.950 -4.589 -2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.816 -1.952 -2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.983 -2.499 -4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.130 -2.045 -3.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.999 -3.698 -3.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.837 -3.168 -2.137 1.00 0.00 H new ATOM 1268 N LYS A 81 -13.103 -6.368 -0.896 1.00 0.00 N ATOM 1269 CA LYS A 81 -12.121 -7.376 -1.276 1.00 0.00 C ATOM 1270 C LYS A 81 -11.673 -7.183 -2.722 1.00 0.00 C ATOM 1271 O LYS A 81 -12.496 -6.980 -3.615 1.00 0.00 O ATOM 1272 CB LYS A 81 -12.704 -8.779 -1.094 1.00 0.00 C ATOM 1273 CG LYS A 81 -13.958 -9.027 -1.915 1.00 0.00 C ATOM 1274 CD LYS A 81 -14.674 -10.293 -1.471 1.00 0.00 C ATOM 1275 CE LYS A 81 -15.908 -10.561 -2.318 1.00 0.00 C ATOM 1276 NZ LYS A 81 -16.886 -11.433 -1.612 1.00 0.00 N ATOM 0 H LYS A 81 -14.072 -6.638 -1.066 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.252 -7.263 -0.628 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.949 -9.516 -1.368 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.933 -8.934 -0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.631 -8.175 -1.820 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.694 -9.108 -2.969 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.993 -11.141 -1.540 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.963 -10.201 -0.424 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.384 -9.615 -2.575 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.610 -11.033 -3.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.713 -11.592 -2.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.440 -12.345 -1.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -17.190 -10.972 -0.731 1.00 0.00 H new ATOM 1290 N PHE A 82 -10.365 -7.249 -2.945 1.00 0.00 N ATOM 1291 CA PHE A 82 -9.808 -7.082 -4.282 1.00 0.00 C ATOM 1292 C PHE A 82 -8.966 -8.293 -4.676 1.00 0.00 C ATOM 1293 O PHE A 82 -8.239 -8.850 -3.855 1.00 0.00 O ATOM 1294 CB PHE A 82 -8.958 -5.812 -4.349 1.00 0.00 C ATOM 1295 CG PHE A 82 -9.770 -4.549 -4.384 1.00 0.00 C ATOM 1296 CD1 PHE A 82 -10.652 -4.306 -5.424 1.00 0.00 C ATOM 1297 CD2 PHE A 82 -9.651 -3.605 -3.377 1.00 0.00 C ATOM 1298 CE1 PHE A 82 -11.400 -3.143 -5.460 1.00 0.00 C ATOM 1299 CE2 PHE A 82 -10.396 -2.441 -3.407 1.00 0.00 C ATOM 1300 CZ PHE A 82 -11.271 -2.211 -4.449 1.00 0.00 C ATOM 0 H PHE A 82 -9.671 -7.417 -2.217 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.636 -6.993 -4.985 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.293 -5.783 -3.486 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.327 -5.853 -5.236 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.757 -5.033 -6.216 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.968 -3.781 -2.559 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -12.083 -2.964 -6.277 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.293 -1.713 -2.616 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.855 -1.303 -4.474 1.00 0.00 H new ATOM 1310 N ASP A 83 -9.073 -8.693 -5.939 1.00 0.00 N ATOM 1311 CA ASP A 83 -8.321 -9.838 -6.443 1.00 0.00 C ATOM 1312 C ASP A 83 -6.935 -9.898 -5.810 1.00 0.00 C ATOM 1313 O ASP A 83 -6.388 -10.980 -5.591 1.00 0.00 O ATOM 1314 CB ASP A 83 -8.198 -9.762 -7.965 1.00 0.00 C ATOM 1315 CG ASP A 83 -7.733 -11.070 -8.574 1.00 0.00 C ATOM 1316 OD1 ASP A 83 -8.273 -12.129 -8.190 1.00 0.00 O ATOM 1317 OD2 ASP A 83 -6.829 -11.036 -9.434 1.00 0.00 O ATOM 0 H ASP A 83 -9.672 -8.243 -6.631 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.862 -10.745 -6.175 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.163 -9.489 -8.391 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.497 -8.971 -8.231 1.00 0.00 H new ATOM 1322 N SER A 84 -6.370 -8.730 -5.520 1.00 0.00 N ATOM 1323 CA SER A 84 -5.045 -8.650 -4.917 1.00 0.00 C ATOM 1324 C SER A 84 -4.691 -7.207 -4.571 1.00 0.00 C ATOM 1325 O SER A 84 -5.505 -6.299 -4.741 1.00 0.00 O ATOM 1326 CB SER A 84 -3.994 -9.231 -5.866 1.00 0.00 C ATOM 1327 OG SER A 84 -3.947 -10.645 -5.771 1.00 0.00 O ATOM 0 H SER A 84 -6.810 -7.826 -5.693 1.00 0.00 H new ATOM 0 HA SER A 84 -5.056 -9.234 -3.996 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.224 -8.940 -6.891 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.015 -8.815 -5.628 1.00 0.00 H new ATOM 0 HG SER A 84 -4.775 -10.973 -5.361 1.00 0.00 H new ATOM 1333 N LEU A 85 -3.471 -7.004 -4.085 1.00 0.00 N ATOM 1334 CA LEU A 85 -3.008 -5.671 -3.714 1.00 0.00 C ATOM 1335 C LEU A 85 -3.057 -4.726 -4.910 1.00 0.00 C ATOM 1336 O LEU A 85 -3.503 -3.584 -4.793 1.00 0.00 O ATOM 1337 CB LEU A 85 -1.583 -5.741 -3.161 1.00 0.00 C ATOM 1338 CG LEU A 85 -0.855 -4.404 -3.014 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -1.430 -3.609 -1.852 1.00 0.00 C ATOM 1340 CD2 LEU A 85 0.637 -4.629 -2.823 1.00 0.00 C ATOM 0 H LEU A 85 -2.785 -7.745 -3.939 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.672 -5.283 -2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.617 -6.223 -2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.992 -6.384 -3.813 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.001 -3.829 -3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.900 -2.661 -1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.488 -3.418 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.314 -4.178 -0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.140 -3.667 -2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.803 -5.223 -1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.039 -5.158 -3.687 1.00 0.00 H new ATOM 1352 N LEU A 86 -2.598 -5.209 -6.059 1.00 0.00 N ATOM 1353 CA LEU A 86 -2.591 -4.408 -7.277 1.00 0.00 C ATOM 1354 C LEU A 86 -3.957 -3.777 -7.523 1.00 0.00 C ATOM 1355 O LEU A 86 -4.077 -2.559 -7.637 1.00 0.00 O ATOM 1356 CB LEU A 86 -2.192 -5.271 -8.476 1.00 0.00 C ATOM 1357 CG LEU A 86 -2.088 -4.546 -9.819 1.00 0.00 C ATOM 1358 CD1 LEU A 86 -1.019 -3.466 -9.761 1.00 0.00 C ATOM 1359 CD2 LEU A 86 -1.789 -5.535 -10.936 1.00 0.00 C ATOM 0 H LEU A 86 -2.226 -6.152 -6.172 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.860 -3.609 -7.152 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.229 -5.735 -8.260 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.919 -6.077 -8.576 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.046 -4.069 -10.029 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.959 -2.961 -10.725 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.275 -2.742 -8.987 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.056 -3.920 -9.529 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.718 -5.002 -11.884 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.845 -6.040 -10.732 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.590 -6.273 -10.993 1.00 0.00 H new ATOM 1371 N GLU A 87 -4.986 -4.617 -7.599 1.00 0.00 N ATOM 1372 CA GLU A 87 -6.346 -4.140 -7.829 1.00 0.00 C ATOM 1373 C GLU A 87 -6.728 -3.074 -6.806 1.00 0.00 C ATOM 1374 O GLU A 87 -7.182 -1.987 -7.167 1.00 0.00 O ATOM 1375 CB GLU A 87 -7.336 -5.304 -7.763 1.00 0.00 C ATOM 1376 CG GLU A 87 -7.576 -5.977 -9.104 1.00 0.00 C ATOM 1377 CD GLU A 87 -8.685 -5.315 -9.898 1.00 0.00 C ATOM 1378 OE1 GLU A 87 -8.645 -4.077 -10.056 1.00 0.00 O ATOM 1379 OE2 GLU A 87 -9.593 -6.036 -10.361 1.00 0.00 O ATOM 0 H GLU A 87 -4.904 -5.629 -7.505 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.385 -3.696 -8.823 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.965 -6.045 -7.055 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.287 -4.940 -7.374 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.655 -5.957 -9.687 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.827 -7.025 -8.941 1.00 0.00 H new ATOM 1386 N LEU A 88 -6.543 -3.393 -5.530 1.00 0.00 N ATOM 1387 CA LEU A 88 -6.869 -2.463 -4.455 1.00 0.00 C ATOM 1388 C LEU A 88 -6.265 -1.088 -4.721 1.00 0.00 C ATOM 1389 O LEU A 88 -6.914 -0.063 -4.514 1.00 0.00 O ATOM 1390 CB LEU A 88 -6.363 -3.004 -3.116 1.00 0.00 C ATOM 1391 CG LEU A 88 -6.659 -2.142 -1.888 1.00 0.00 C ATOM 1392 CD1 LEU A 88 -6.560 -2.970 -0.618 1.00 0.00 C ATOM 1393 CD2 LEU A 88 -5.707 -0.956 -1.830 1.00 0.00 C ATOM 0 H LEU A 88 -6.169 -4.288 -5.215 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.953 -2.361 -4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.800 -3.990 -2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.284 -3.141 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.678 -1.763 -1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.774 -2.339 0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.281 -3.786 -0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.554 -3.379 -0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.931 -0.352 -0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.680 -1.316 -1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.827 -0.349 -2.727 1.00 0.00 H new ATOM 1405 N VAL A 89 -5.019 -1.075 -5.183 1.00 0.00 N ATOM 1406 CA VAL A 89 -4.328 0.174 -5.481 1.00 0.00 C ATOM 1407 C VAL A 89 -4.936 0.862 -6.700 1.00 0.00 C ATOM 1408 O VAL A 89 -5.264 2.046 -6.655 1.00 0.00 O ATOM 1409 CB VAL A 89 -2.826 -0.062 -5.736 1.00 0.00 C ATOM 1410 CG1 VAL A 89 -2.122 1.254 -6.029 1.00 0.00 C ATOM 1411 CG2 VAL A 89 -2.190 -0.764 -4.547 1.00 0.00 C ATOM 0 H VAL A 89 -4.467 -1.915 -5.359 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.445 0.816 -4.608 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.718 -0.706 -6.609 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.063 1.068 -6.206 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.563 1.714 -6.914 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.235 1.925 -5.177 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.130 -0.923 -4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.306 -0.147 -3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.678 -1.726 -4.389 1.00 0.00 H new ATOM 1421 N GLU A 90 -5.082 0.109 -7.786 1.00 0.00 N ATOM 1422 CA GLU A 90 -5.651 0.647 -9.016 1.00 0.00 C ATOM 1423 C GLU A 90 -7.069 1.159 -8.781 1.00 0.00 C ATOM 1424 O GLU A 90 -7.543 2.053 -9.482 1.00 0.00 O ATOM 1425 CB GLU A 90 -5.658 -0.422 -10.110 1.00 0.00 C ATOM 1426 CG GLU A 90 -4.269 -0.875 -10.528 1.00 0.00 C ATOM 1427 CD GLU A 90 -4.303 -1.949 -11.598 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -5.037 -2.943 -11.419 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -3.595 -1.794 -12.615 1.00 0.00 O ATOM 0 H GLU A 90 -4.815 -0.874 -7.839 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.030 1.483 -9.338 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.222 -1.286 -9.758 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.182 -0.033 -10.983 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.707 -0.017 -10.897 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.736 -1.253 -9.655 1.00 0.00 H new ATOM 1436 N TYR A 91 -7.742 0.586 -7.788 1.00 0.00 N ATOM 1437 CA TYR A 91 -9.107 0.982 -7.463 1.00 0.00 C ATOM 1438 C TYR A 91 -9.147 2.411 -6.930 1.00 0.00 C ATOM 1439 O TYR A 91 -9.872 3.260 -7.450 1.00 0.00 O ATOM 1440 CB TYR A 91 -9.705 0.024 -6.431 1.00 0.00 C ATOM 1441 CG TYR A 91 -11.160 0.297 -6.124 1.00 0.00 C ATOM 1442 CD1 TYR A 91 -12.164 -0.123 -6.989 1.00 0.00 C ATOM 1443 CD2 TYR A 91 -11.533 0.974 -4.969 1.00 0.00 C ATOM 1444 CE1 TYR A 91 -13.495 0.125 -6.713 1.00 0.00 C ATOM 1445 CE2 TYR A 91 -12.860 1.225 -4.684 1.00 0.00 C ATOM 1446 CZ TYR A 91 -13.838 0.798 -5.559 1.00 0.00 C ATOM 1447 OH TYR A 91 -15.162 1.047 -5.280 1.00 0.00 O ATOM 0 H TYR A 91 -7.364 -0.153 -7.195 1.00 0.00 H new ATOM 0 HA TYR A 91 -9.699 0.938 -8.377 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.605 -0.998 -6.796 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.129 0.091 -5.508 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.899 -0.652 -7.892 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.771 1.310 -4.282 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -14.262 -0.206 -7.397 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -13.131 1.752 -3.781 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.232 1.529 -4.430 1.00 0.00 H new ATOM 1457 N TYR A 92 -8.364 2.669 -5.889 1.00 0.00 N ATOM 1458 CA TYR A 92 -8.309 3.994 -5.282 1.00 0.00 C ATOM 1459 C TYR A 92 -7.601 4.985 -6.201 1.00 0.00 C ATOM 1460 O TYR A 92 -7.828 6.192 -6.123 1.00 0.00 O ATOM 1461 CB TYR A 92 -7.594 3.931 -3.932 1.00 0.00 C ATOM 1462 CG TYR A 92 -8.358 3.164 -2.878 1.00 0.00 C ATOM 1463 CD1 TYR A 92 -9.730 3.321 -2.732 1.00 0.00 C ATOM 1464 CD2 TYR A 92 -7.707 2.280 -2.025 1.00 0.00 C ATOM 1465 CE1 TYR A 92 -10.432 2.622 -1.769 1.00 0.00 C ATOM 1466 CE2 TYR A 92 -8.400 1.575 -1.060 1.00 0.00 C ATOM 1467 CZ TYR A 92 -9.762 1.751 -0.936 1.00 0.00 C ATOM 1468 OH TYR A 92 -10.458 1.052 0.024 1.00 0.00 O ATOM 0 H TYR A 92 -7.758 1.978 -5.447 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.332 4.337 -5.127 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.617 3.468 -4.069 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.419 4.946 -3.575 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.258 4.002 -3.383 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.640 2.142 -2.118 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.499 2.757 -1.669 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.879 0.891 -0.407 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.893 1.682 0.636 1.00 0.00 H new ATOM 1478 N GLN A 93 -6.742 4.464 -7.071 1.00 0.00 N ATOM 1479 CA GLN A 93 -5.999 5.303 -8.005 1.00 0.00 C ATOM 1480 C GLN A 93 -6.930 6.271 -8.727 1.00 0.00 C ATOM 1481 O GLN A 93 -6.504 7.331 -9.186 1.00 0.00 O ATOM 1482 CB GLN A 93 -5.258 4.435 -9.024 1.00 0.00 C ATOM 1483 CG GLN A 93 -3.846 4.065 -8.597 1.00 0.00 C ATOM 1484 CD GLN A 93 -2.968 3.666 -9.767 1.00 0.00 C ATOM 1485 OE1 GLN A 93 -3.040 4.262 -10.842 1.00 0.00 O ATOM 1486 NE2 GLN A 93 -2.134 2.654 -9.563 1.00 0.00 N ATOM 0 H GLN A 93 -6.543 3.467 -7.149 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.273 5.883 -7.435 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.828 3.522 -9.194 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.214 4.964 -9.976 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.393 4.911 -8.080 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -3.890 3.242 -7.884 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.108 2.189 -8.655 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.519 2.341 -10.314 1.00 0.00 H new ATOM 1495 N CYS A 94 -8.203 5.900 -8.822 1.00 0.00 N ATOM 1496 CA CYS A 94 -9.195 6.736 -9.489 1.00 0.00 C ATOM 1497 C CYS A 94 -10.349 7.065 -8.548 1.00 0.00 C ATOM 1498 O CYS A 94 -10.962 8.128 -8.649 1.00 0.00 O ATOM 1499 CB CYS A 94 -9.725 6.036 -10.741 1.00 0.00 C ATOM 1500 SG CYS A 94 -8.679 6.242 -12.201 1.00 0.00 S ATOM 0 H CYS A 94 -8.572 5.027 -8.446 1.00 0.00 H new ATOM 0 HA CYS A 94 -8.711 7.668 -9.781 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -9.832 4.972 -10.531 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -10.721 6.419 -10.964 1.00 0.00 H new ATOM 0 HG CYS A 94 -9.209 5.612 -13.207 1.00 0.00 H new ATOM 1506 N HIS A 95 -10.641 6.145 -7.634 1.00 0.00 N ATOM 1507 CA HIS A 95 -11.724 6.337 -6.676 1.00 0.00 C ATOM 1508 C HIS A 95 -11.186 6.857 -5.346 1.00 0.00 C ATOM 1509 O HIS A 95 -10.252 6.291 -4.778 1.00 0.00 O ATOM 1510 CB HIS A 95 -12.477 5.024 -6.455 1.00 0.00 C ATOM 1511 CG HIS A 95 -12.478 4.126 -7.654 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -12.327 2.758 -7.569 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -12.614 4.407 -8.971 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -12.370 2.236 -8.783 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -12.543 3.216 -9.651 1.00 0.00 N ATOM 0 H HIS A 95 -10.143 5.260 -7.537 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.411 7.077 -7.086 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -12.028 4.494 -5.615 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -13.507 5.248 -6.178 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -12.202 2.231 -6.705 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -12.753 5.386 -9.406 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -12.279 1.187 -9.024 1.00 0.00 H new ATOM 1524 N SER A 96 -11.781 7.941 -4.856 1.00 0.00 N ATOM 1525 CA SER A 96 -11.359 8.541 -3.596 1.00 0.00 C ATOM 1526 C SER A 96 -11.270 7.487 -2.495 1.00 0.00 C ATOM 1527 O SER A 96 -11.954 6.464 -2.542 1.00 0.00 O ATOM 1528 CB SER A 96 -12.332 9.646 -3.182 1.00 0.00 C ATOM 1529 OG SER A 96 -11.671 10.653 -2.435 1.00 0.00 O ATOM 0 H SER A 96 -12.556 8.421 -5.313 1.00 0.00 H new ATOM 0 HA SER A 96 -10.369 8.974 -3.742 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.786 10.086 -4.070 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.140 9.220 -2.588 1.00 0.00 H new ATOM 0 HG SER A 96 -12.314 11.349 -2.184 1.00 0.00 H new ATOM 1535 N LEU A 97 -10.422 7.745 -1.506 1.00 0.00 N ATOM 1536 CA LEU A 97 -10.242 6.820 -0.392 1.00 0.00 C ATOM 1537 C LEU A 97 -11.181 7.166 0.759 1.00 0.00 C ATOM 1538 O LEU A 97 -10.952 6.767 1.902 1.00 0.00 O ATOM 1539 CB LEU A 97 -8.791 6.849 0.091 1.00 0.00 C ATOM 1540 CG LEU A 97 -7.837 5.866 -0.590 1.00 0.00 C ATOM 1541 CD1 LEU A 97 -6.402 6.359 -0.490 1.00 0.00 C ATOM 1542 CD2 LEU A 97 -7.972 4.480 0.025 1.00 0.00 C ATOM 0 H LEU A 97 -9.848 8.587 -1.452 1.00 0.00 H new ATOM 0 HA LEU A 97 -10.481 5.816 -0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.402 7.858 -0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -8.782 6.650 1.163 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.104 5.801 -1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.738 5.647 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.316 7.330 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.122 6.454 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.286 3.793 -0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.732 4.528 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.995 4.125 -0.100 1.00 0.00 H new ATOM 1554 N LYS A 98 -12.238 7.909 0.452 1.00 0.00 N ATOM 1555 CA LYS A 98 -13.214 8.306 1.460 1.00 0.00 C ATOM 1556 C LYS A 98 -14.050 7.112 1.908 1.00 0.00 C ATOM 1557 O LYS A 98 -14.284 6.921 3.101 1.00 0.00 O ATOM 1558 CB LYS A 98 -14.128 9.404 0.909 1.00 0.00 C ATOM 1559 CG LYS A 98 -15.260 8.876 0.046 1.00 0.00 C ATOM 1560 CD LYS A 98 -16.046 10.008 -0.597 1.00 0.00 C ATOM 1561 CE LYS A 98 -17.342 9.505 -1.214 1.00 0.00 C ATOM 1562 NZ LYS A 98 -17.918 10.490 -2.173 1.00 0.00 N ATOM 0 H LYS A 98 -12.441 8.249 -0.488 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.672 8.692 2.323 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.549 9.966 1.742 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.531 10.102 0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.855 8.227 -0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.929 8.267 0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.269 10.769 0.151 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.437 10.485 -1.365 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -17.157 8.562 -1.729 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -18.065 9.301 -0.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -18.800 10.111 -2.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -18.118 11.382 -1.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -17.238 10.666 -2.940 1.00 0.00 H new ATOM 1576 N GLU A 99 -14.496 6.312 0.945 1.00 0.00 N ATOM 1577 CA GLU A 99 -15.305 5.136 1.242 1.00 0.00 C ATOM 1578 C GLU A 99 -14.837 4.466 2.531 1.00 0.00 C ATOM 1579 O GLU A 99 -15.630 4.227 3.442 1.00 0.00 O ATOM 1580 CB GLU A 99 -15.239 4.138 0.084 1.00 0.00 C ATOM 1581 CG GLU A 99 -13.855 4.004 -0.527 1.00 0.00 C ATOM 1582 CD GLU A 99 -13.046 2.885 0.100 1.00 0.00 C ATOM 1583 OE1 GLU A 99 -13.499 1.723 0.043 1.00 0.00 O ATOM 1584 OE2 GLU A 99 -11.960 3.171 0.647 1.00 0.00 O ATOM 0 H GLU A 99 -14.311 6.457 -0.048 1.00 0.00 H new ATOM 0 HA GLU A 99 -16.337 5.461 1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -15.566 3.161 0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -15.940 4.447 -0.691 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -13.951 3.822 -1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -13.318 4.945 -0.410 1.00 0.00 H new ATOM 1591 N SER A 100 -13.544 4.166 2.601 1.00 0.00 N ATOM 1592 CA SER A 100 -12.971 3.520 3.776 1.00 0.00 C ATOM 1593 C SER A 100 -12.801 4.520 4.916 1.00 0.00 C ATOM 1594 O SER A 100 -13.272 4.294 6.031 1.00 0.00 O ATOM 1595 CB SER A 100 -11.621 2.890 3.430 1.00 0.00 C ATOM 1596 OG SER A 100 -10.854 2.654 4.597 1.00 0.00 O ATOM 0 H SER A 100 -12.873 4.360 1.858 1.00 0.00 H new ATOM 0 HA SER A 100 -13.656 2.737 4.101 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.780 1.951 2.899 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.071 3.548 2.757 1.00 0.00 H new ATOM 0 HG SER A 100 -10.149 3.331 4.667 1.00 0.00 H new ATOM 1602 N PHE A 101 -12.125 5.627 4.629 1.00 0.00 N ATOM 1603 CA PHE A 101 -11.891 6.662 5.629 1.00 0.00 C ATOM 1604 C PHE A 101 -12.568 7.969 5.228 1.00 0.00 C ATOM 1605 O PHE A 101 -12.043 8.731 4.417 1.00 0.00 O ATOM 1606 CB PHE A 101 -10.389 6.889 5.817 1.00 0.00 C ATOM 1607 CG PHE A 101 -9.628 5.634 6.137 1.00 0.00 C ATOM 1608 CD1 PHE A 101 -9.496 5.202 7.446 1.00 0.00 C ATOM 1609 CD2 PHE A 101 -9.045 4.886 5.126 1.00 0.00 C ATOM 1610 CE1 PHE A 101 -8.795 4.049 7.742 1.00 0.00 C ATOM 1611 CE2 PHE A 101 -8.344 3.730 5.416 1.00 0.00 C ATOM 1612 CZ PHE A 101 -8.220 3.311 6.726 1.00 0.00 C ATOM 0 H PHE A 101 -11.729 5.831 3.711 1.00 0.00 H new ATOM 0 HA PHE A 101 -12.321 6.325 6.572 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -9.980 7.331 4.908 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.236 7.611 6.619 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.946 5.773 8.245 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -9.139 5.210 4.100 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -8.697 3.725 8.767 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.894 3.156 4.619 1.00 0.00 H new ATOM 0 HZ PHE A 101 -7.674 2.408 6.956 1.00 0.00 H new ATOM 1622 N LYS A 102 -13.738 8.221 5.804 1.00 0.00 N ATOM 1623 CA LYS A 102 -14.491 9.436 5.509 1.00 0.00 C ATOM 1624 C LYS A 102 -13.617 10.674 5.690 1.00 0.00 C ATOM 1625 O LYS A 102 -13.852 11.706 5.063 1.00 0.00 O ATOM 1626 CB LYS A 102 -15.721 9.530 6.414 1.00 0.00 C ATOM 1627 CG LYS A 102 -15.390 9.864 7.858 1.00 0.00 C ATOM 1628 CD LYS A 102 -15.294 8.611 8.711 1.00 0.00 C ATOM 1629 CE LYS A 102 -14.290 8.781 9.842 1.00 0.00 C ATOM 1630 NZ LYS A 102 -14.077 7.513 10.591 1.00 0.00 N ATOM 0 H LYS A 102 -14.186 7.601 6.478 1.00 0.00 H new ATOM 0 HA LYS A 102 -14.815 9.390 4.469 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -16.395 10.291 6.019 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -16.258 8.582 6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -14.446 10.407 7.900 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -16.156 10.524 8.265 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -16.274 8.376 9.126 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -15.001 7.767 8.087 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.340 9.126 9.435 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.642 9.552 10.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -13.387 7.671 11.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.979 7.197 11.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.717 6.784 9.943 1.00 0.00 H new ATOM 1644 N GLN A 103 -12.609 10.561 6.549 1.00 0.00 N ATOM 1645 CA GLN A 103 -11.701 11.671 6.810 1.00 0.00 C ATOM 1646 C GLN A 103 -10.655 11.791 5.705 1.00 0.00 C ATOM 1647 O GLN A 103 -10.080 12.859 5.495 1.00 0.00 O ATOM 1648 CB GLN A 103 -11.011 11.486 8.162 1.00 0.00 C ATOM 1649 CG GLN A 103 -10.539 10.063 8.415 1.00 0.00 C ATOM 1650 CD GLN A 103 -9.605 9.961 9.605 1.00 0.00 C ATOM 1651 OE1 GLN A 103 -10.010 9.552 10.694 1.00 0.00 O ATOM 1652 NE2 GLN A 103 -8.346 10.333 9.404 1.00 0.00 N ATOM 0 H GLN A 103 -12.401 9.713 7.076 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.288 12.589 6.832 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -10.156 12.159 8.219 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -11.700 11.778 8.955 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -11.404 9.421 8.581 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -10.031 9.689 7.526 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -8.053 10.666 8.485 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -7.672 10.286 10.168 1.00 0.00 H new ATOM 1661 N LEU A 104 -10.416 10.689 5.003 1.00 0.00 N ATOM 1662 CA LEU A 104 -9.439 10.671 3.919 1.00 0.00 C ATOM 1663 C LEU A 104 -10.133 10.683 2.560 1.00 0.00 C ATOM 1664 O LEU A 104 -10.655 9.662 2.110 1.00 0.00 O ATOM 1665 CB LEU A 104 -8.542 9.438 4.035 1.00 0.00 C ATOM 1666 CG LEU A 104 -7.215 9.500 3.281 1.00 0.00 C ATOM 1667 CD1 LEU A 104 -6.190 10.300 4.068 1.00 0.00 C ATOM 1668 CD2 LEU A 104 -6.695 8.097 2.997 1.00 0.00 C ATOM 0 H LEU A 104 -10.884 9.797 5.164 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.825 11.568 4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.330 9.266 5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.100 8.573 3.677 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.385 10.003 2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.251 10.333 3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.558 11.315 4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.024 9.827 5.036 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.749 8.161 2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.542 7.568 3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.421 7.556 2.390 1.00 0.00 H new ATOM 1680 N ASP A 105 -10.133 11.842 1.912 1.00 0.00 N ATOM 1681 CA ASP A 105 -10.759 11.986 0.603 1.00 0.00 C ATOM 1682 C ASP A 105 -9.727 12.362 -0.456 1.00 0.00 C ATOM 1683 O ASP A 105 -9.405 13.537 -0.635 1.00 0.00 O ATOM 1684 CB ASP A 105 -11.863 13.044 0.655 1.00 0.00 C ATOM 1685 CG ASP A 105 -11.338 14.408 1.056 1.00 0.00 C ATOM 1686 OD1 ASP A 105 -11.307 14.700 2.270 1.00 0.00 O ATOM 1687 OD2 ASP A 105 -10.957 15.186 0.156 1.00 0.00 O ATOM 0 H ASP A 105 -9.706 12.696 2.272 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.198 11.026 0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.341 13.115 -0.322 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.630 12.730 1.363 1.00 0.00 H new ATOM 1692 N THR A 106 -9.210 11.356 -1.154 1.00 0.00 N ATOM 1693 CA THR A 106 -8.211 11.580 -2.192 1.00 0.00 C ATOM 1694 C THR A 106 -7.937 10.302 -2.977 1.00 0.00 C ATOM 1695 O THR A 106 -8.373 9.218 -2.589 1.00 0.00 O ATOM 1696 CB THR A 106 -6.888 12.098 -1.597 1.00 0.00 C ATOM 1697 OG1 THR A 106 -6.031 12.567 -2.644 1.00 0.00 O ATOM 1698 CG2 THR A 106 -6.184 11.003 -0.811 1.00 0.00 C ATOM 0 H THR A 106 -9.466 10.378 -1.019 1.00 0.00 H new ATOM 0 HA THR A 106 -8.618 12.335 -2.864 1.00 0.00 H new ATOM 0 HB THR A 106 -7.117 12.921 -0.919 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.193 12.896 -2.258 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.252 11.392 -0.400 1.00 0.00 H new ATOM 0 HG22 THR A 106 -6.827 10.668 0.003 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.967 10.163 -1.471 1.00 0.00 H new ATOM 1706 N THR A 107 -7.213 10.436 -4.083 1.00 0.00 N ATOM 1707 CA THR A 107 -6.880 9.292 -4.922 1.00 0.00 C ATOM 1708 C THR A 107 -5.400 9.287 -5.285 1.00 0.00 C ATOM 1709 O THR A 107 -4.854 10.300 -5.724 1.00 0.00 O ATOM 1710 CB THR A 107 -7.714 9.286 -6.218 1.00 0.00 C ATOM 1711 OG1 THR A 107 -7.595 10.547 -6.884 1.00 0.00 O ATOM 1712 CG2 THR A 107 -9.178 9.001 -5.917 1.00 0.00 C ATOM 0 H THR A 107 -6.846 11.326 -4.419 1.00 0.00 H new ATOM 0 HA THR A 107 -7.112 8.398 -4.343 1.00 0.00 H new ATOM 0 HB THR A 107 -7.332 8.497 -6.866 1.00 0.00 H new ATOM 0 HG1 THR A 107 -6.734 10.957 -6.657 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.747 9.002 -6.846 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.268 8.026 -5.437 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.569 9.770 -5.251 1.00 0.00 H new ATOM 1720 N LEU A 108 -4.754 8.141 -5.098 1.00 0.00 N ATOM 1721 CA LEU A 108 -3.335 8.005 -5.406 1.00 0.00 C ATOM 1722 C LEU A 108 -2.956 8.850 -6.616 1.00 0.00 C ATOM 1723 O LEU A 108 -3.232 8.480 -7.758 1.00 0.00 O ATOM 1724 CB LEU A 108 -2.989 6.537 -5.667 1.00 0.00 C ATOM 1725 CG LEU A 108 -3.680 5.514 -4.764 1.00 0.00 C ATOM 1726 CD1 LEU A 108 -3.144 4.116 -5.035 1.00 0.00 C ATOM 1727 CD2 LEU A 108 -3.495 5.884 -3.299 1.00 0.00 C ATOM 0 H LEU A 108 -5.190 7.293 -4.735 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.767 8.360 -4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.238 6.304 -6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.911 6.414 -5.563 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.747 5.522 -4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.647 3.401 -4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.329 3.851 -6.076 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.072 4.093 -4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.993 5.145 -2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.432 5.905 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.928 6.867 -3.115 1.00 0.00 H new ATOM 1739 N LYS A 109 -2.321 9.989 -6.362 1.00 0.00 N ATOM 1740 CA LYS A 109 -1.901 10.888 -7.429 1.00 0.00 C ATOM 1741 C LYS A 109 -0.504 10.527 -7.926 1.00 0.00 C ATOM 1742 O LYS A 109 -0.347 9.951 -9.002 1.00 0.00 O ATOM 1743 CB LYS A 109 -1.921 12.338 -6.942 1.00 0.00 C ATOM 1744 CG LYS A 109 -3.248 13.039 -7.174 1.00 0.00 C ATOM 1745 CD LYS A 109 -3.246 14.444 -6.596 1.00 0.00 C ATOM 1746 CE LYS A 109 -3.721 14.453 -5.150 1.00 0.00 C ATOM 1747 NZ LYS A 109 -5.205 14.532 -5.055 1.00 0.00 N ATOM 0 H LYS A 109 -2.086 10.312 -5.423 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.602 10.780 -8.257 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.690 12.358 -5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.132 12.894 -7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -3.454 13.085 -8.243 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.051 12.459 -6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.240 14.860 -6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.891 15.086 -7.196 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -3.372 13.551 -4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.278 15.301 -4.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -5.538 13.910 -4.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -5.488 15.512 -4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -5.627 14.229 -5.956 1.00 0.00 H new ATOM 1761 N TYR A 110 0.506 10.869 -7.134 1.00 0.00 N ATOM 1762 CA TYR A 110 1.890 10.582 -7.494 1.00 0.00 C ATOM 1763 C TYR A 110 2.525 9.622 -6.493 1.00 0.00 C ATOM 1764 O TYR A 110 2.141 9.558 -5.325 1.00 0.00 O ATOM 1765 CB TYR A 110 2.702 11.878 -7.560 1.00 0.00 C ATOM 1766 CG TYR A 110 1.949 13.033 -8.181 1.00 0.00 C ATOM 1767 CD1 TYR A 110 1.984 13.254 -9.553 1.00 0.00 C ATOM 1768 CD2 TYR A 110 1.201 13.903 -7.397 1.00 0.00 C ATOM 1769 CE1 TYR A 110 1.298 14.307 -10.125 1.00 0.00 C ATOM 1770 CE2 TYR A 110 0.512 14.959 -7.960 1.00 0.00 C ATOM 1771 CZ TYR A 110 0.564 15.158 -9.324 1.00 0.00 C ATOM 1772 OH TYR A 110 -0.122 16.208 -9.890 1.00 0.00 O ATOM 0 H TYR A 110 0.393 11.345 -6.239 1.00 0.00 H new ATOM 0 HA TYR A 110 1.892 10.109 -8.476 1.00 0.00 H new ATOM 0 HB2 TYR A 110 3.010 12.156 -6.552 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.612 11.698 -8.133 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.558 12.590 -10.183 1.00 0.00 H new ATOM 0 HD2 TYR A 110 1.158 13.751 -6.329 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.336 14.464 -11.193 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.065 15.626 -7.336 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.588 16.710 -9.189 1.00 0.00 H new ATOM 1782 N PRO A 111 3.522 8.855 -6.960 1.00 0.00 N ATOM 1783 CA PRO A 111 4.233 7.885 -6.124 1.00 0.00 C ATOM 1784 C PRO A 111 5.112 8.557 -5.075 1.00 0.00 C ATOM 1785 O PRO A 111 4.953 9.743 -4.787 1.00 0.00 O ATOM 1786 CB PRO A 111 5.095 7.115 -7.128 1.00 0.00 C ATOM 1787 CG PRO A 111 5.291 8.060 -8.263 1.00 0.00 C ATOM 1788 CD PRO A 111 4.031 8.879 -8.342 1.00 0.00 C ATOM 0 HA PRO A 111 3.546 7.255 -5.559 1.00 0.00 H new ATOM 0 HB2 PRO A 111 6.048 6.822 -6.688 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.600 6.201 -7.455 1.00 0.00 H new ATOM 0 HG2 PRO A 111 6.160 8.696 -8.096 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.465 7.521 -9.194 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.233 9.896 -8.678 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.315 8.448 -9.042 1.00 0.00 H new ATOM 1796 N TYR A 112 6.037 7.792 -4.507 1.00 0.00 N ATOM 1797 CA TYR A 112 6.939 8.314 -3.487 1.00 0.00 C ATOM 1798 C TYR A 112 8.299 8.656 -4.087 1.00 0.00 C ATOM 1799 O TYR A 112 8.495 8.571 -5.300 1.00 0.00 O ATOM 1800 CB TYR A 112 7.110 7.297 -2.358 1.00 0.00 C ATOM 1801 CG TYR A 112 8.263 6.343 -2.570 1.00 0.00 C ATOM 1802 CD1 TYR A 112 8.388 5.628 -3.754 1.00 0.00 C ATOM 1803 CD2 TYR A 112 9.227 6.157 -1.587 1.00 0.00 C ATOM 1804 CE1 TYR A 112 9.441 4.754 -3.953 1.00 0.00 C ATOM 1805 CE2 TYR A 112 10.283 5.287 -1.778 1.00 0.00 C ATOM 1806 CZ TYR A 112 10.385 4.588 -2.962 1.00 0.00 C ATOM 1807 OH TYR A 112 11.435 3.720 -3.155 1.00 0.00 O ATOM 0 H TYR A 112 6.182 6.809 -4.735 1.00 0.00 H new ATOM 0 HA TYR A 112 6.500 9.226 -3.082 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.259 7.831 -1.419 1.00 0.00 H new ATOM 0 HB3 TYR A 112 6.189 6.723 -2.255 1.00 0.00 H new ATOM 0 HD1 TYR A 112 7.650 5.757 -4.532 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.150 6.702 -0.658 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.523 4.205 -4.879 1.00 0.00 H new ATOM 0 HE2 TYR A 112 11.025 5.155 -1.004 1.00 0.00 H new ATOM 0 HH TYR A 112 12.010 3.720 -2.361 1.00 0.00 H new ATOM 1817 N SER A 113 9.237 9.045 -3.228 1.00 0.00 N ATOM 1818 CA SER A 113 10.579 9.403 -3.673 1.00 0.00 C ATOM 1819 C SER A 113 11.312 8.185 -4.224 1.00 0.00 C ATOM 1820 O SER A 113 11.993 7.471 -3.489 1.00 0.00 O ATOM 1821 CB SER A 113 11.375 10.013 -2.518 1.00 0.00 C ATOM 1822 OG SER A 113 11.661 9.041 -1.526 1.00 0.00 O ATOM 0 H SER A 113 9.092 9.120 -2.221 1.00 0.00 H new ATOM 0 HA SER A 113 10.486 10.140 -4.471 1.00 0.00 H new ATOM 0 HB2 SER A 113 12.306 10.435 -2.897 1.00 0.00 H new ATOM 0 HB3 SER A 113 10.810 10.833 -2.076 1.00 0.00 H new ATOM 0 HG SER A 113 12.076 8.258 -1.945 1.00 0.00 H new