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 55 SER OG : rot -115:sc= 0.046 USER MOD Set 1.2: A 64 HIS : no HD1:sc= -2.41! X(o=-2.4!,f=-2.7) USER MOD Set 2.1: A 35 HIS : no HE2:sc= -7.81! C(o=-8.6!,f=-8.1!) USER MOD Set 2.2: A 39 THR OG1 : rot -130:sc= -0.765 USER MOD Set 3.1: A 23 MET CE :methyl -145:sc= -2.51! (180deg=-4!) USER MOD Set 3.2: A 28 THR OG1 : rot 72:sc= 0.00582 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -37:sc= 1.23 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.826 K(o=-0.83,f=-0.2) USER MOD Single : A 26 GLN : amide:sc= -0.0515 K(o=-0.052,f=-1.3) USER MOD Single : A 27 GLN : amide:sc= 0.0944 X(o=0.094,f=0) USER MOD Single : A 30 ASN : amide:sc=-0.00321 K(o=-0.0032,f=-1.1) 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 134:sc= 0.933 USER MOD Single : A 57 LYS NZ :NH3+ -153:sc= 0.284 (180deg=-0.546) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0363) USER MOD Single : A 72 ASN : amide:sc= -0.066 K(o=-0.066,f=-1.8!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 77 THR OG1 : rot -46:sc= 0.637 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 10:sc= 1.05 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 130:sc= -1.54! USER MOD Single : A 93 GLN : amide:sc= -0.153 K(o=-0.15,f=-1.6!) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -4.52! C(o=-4.5!,f=-9.2!) USER MOD Single : A 96 SER OG : rot 169:sc= 1.2 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -113:sc= 0.268 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0248 USER MOD Single : A 107 THR OG1 : rot 24:sc= 0.0781 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N ILE A 11 2.228 -11.121 -8.955 1.00 0.00 N ATOM 117 CA ILE A 11 2.551 -9.843 -9.578 1.00 0.00 C ATOM 118 C ILE A 11 3.741 -9.182 -8.893 1.00 0.00 C ATOM 119 O ILE A 11 3.825 -9.151 -7.665 1.00 0.00 O ATOM 120 CB ILE A 11 1.350 -8.879 -9.541 1.00 0.00 C ATOM 121 CG1 ILE A 11 0.121 -9.537 -10.171 1.00 0.00 C ATOM 122 CG2 ILE A 11 1.690 -7.582 -10.261 1.00 0.00 C ATOM 123 CD1 ILE A 11 -1.184 -8.880 -9.778 1.00 0.00 C ATOM 0 HA ILE A 11 2.805 -10.054 -10.617 1.00 0.00 H new ATOM 0 HB ILE A 11 1.122 -8.646 -8.501 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.220 -9.509 -11.256 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.092 -10.587 -9.880 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.832 -6.911 -10.227 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.541 -7.107 -9.773 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.941 -7.797 -11.300 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.012 -9.398 -10.261 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.306 -8.931 -8.696 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.175 -7.837 -10.093 1.00 0.00 H new ATOM 135 N ASP A 12 4.660 -8.653 -9.694 1.00 0.00 N ATOM 136 CA ASP A 12 5.845 -7.989 -9.164 1.00 0.00 C ATOM 137 C ASP A 12 5.508 -6.582 -8.679 1.00 0.00 C ATOM 138 O ASP A 12 5.690 -5.604 -9.405 1.00 0.00 O ATOM 139 CB ASP A 12 6.939 -7.925 -10.230 1.00 0.00 C ATOM 140 CG ASP A 12 8.263 -7.440 -9.673 1.00 0.00 C ATOM 141 OD1 ASP A 12 8.429 -7.459 -8.436 1.00 0.00 O ATOM 142 OD2 ASP A 12 9.134 -7.039 -10.475 1.00 0.00 O ATOM 0 H ASP A 12 4.607 -8.671 -10.712 1.00 0.00 H new ATOM 0 HA ASP A 12 6.208 -8.570 -8.316 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.073 -8.914 -10.669 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.621 -7.261 -11.033 1.00 0.00 H new ATOM 147 N TYR A 13 5.017 -6.488 -7.448 1.00 0.00 N ATOM 148 CA TYR A 13 4.652 -5.201 -6.868 1.00 0.00 C ATOM 149 C TYR A 13 5.887 -4.339 -6.634 1.00 0.00 C ATOM 150 O TYR A 13 5.792 -3.119 -6.495 1.00 0.00 O ATOM 151 CB TYR A 13 3.903 -5.407 -5.550 1.00 0.00 C ATOM 152 CG TYR A 13 2.800 -6.438 -5.635 1.00 0.00 C ATOM 153 CD1 TYR A 13 1.780 -6.316 -6.572 1.00 0.00 C ATOM 154 CD2 TYR A 13 2.775 -7.531 -4.779 1.00 0.00 C ATOM 155 CE1 TYR A 13 0.768 -7.254 -6.652 1.00 0.00 C ATOM 156 CE2 TYR A 13 1.770 -8.475 -4.854 1.00 0.00 C ATOM 157 CZ TYR A 13 0.768 -8.332 -5.792 1.00 0.00 C ATOM 158 OH TYR A 13 -0.236 -9.269 -5.869 1.00 0.00 O ATOM 0 H TYR A 13 4.863 -7.287 -6.833 1.00 0.00 H new ATOM 0 HA TYR A 13 4.000 -4.685 -7.573 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.614 -5.710 -4.781 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.476 -4.456 -5.232 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.778 -5.474 -7.249 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.556 -7.645 -4.041 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.018 -7.143 -7.384 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.768 -9.321 -4.182 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.087 -9.964 -5.194 1.00 0.00 H new ATOM 168 N THR A 14 7.051 -4.981 -6.592 1.00 0.00 N ATOM 169 CA THR A 14 8.306 -4.275 -6.374 1.00 0.00 C ATOM 170 C THR A 14 8.841 -3.691 -7.676 1.00 0.00 C ATOM 171 O THR A 14 9.953 -3.164 -7.722 1.00 0.00 O ATOM 172 CB THR A 14 9.374 -5.203 -5.765 1.00 0.00 C ATOM 173 OG1 THR A 14 9.743 -6.213 -6.710 1.00 0.00 O ATOM 174 CG2 THR A 14 8.860 -5.856 -4.490 1.00 0.00 C ATOM 0 H THR A 14 7.149 -5.990 -6.706 1.00 0.00 H new ATOM 0 HA THR A 14 8.096 -3.466 -5.674 1.00 0.00 H new ATOM 0 HB THR A 14 10.249 -4.601 -5.519 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.950 -6.498 -7.211 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.631 -6.507 -4.078 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.609 -5.085 -3.762 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.971 -6.445 -4.716 1.00 0.00 H new ATOM 182 N ALA A 15 8.042 -3.785 -8.734 1.00 0.00 N ATOM 183 CA ALA A 15 8.435 -3.264 -10.037 1.00 0.00 C ATOM 184 C ALA A 15 7.845 -1.877 -10.274 1.00 0.00 C ATOM 185 O ALA A 15 8.330 -1.121 -11.115 1.00 0.00 O ATOM 186 CB ALA A 15 8.002 -4.218 -11.141 1.00 0.00 C ATOM 0 H ALA A 15 7.118 -4.217 -8.714 1.00 0.00 H new ATOM 0 HA ALA A 15 9.521 -3.177 -10.053 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.302 -3.815 -12.108 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.474 -5.188 -10.989 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.918 -4.334 -11.117 1.00 0.00 H new ATOM 192 N TYR A 16 6.797 -1.550 -9.527 1.00 0.00 N ATOM 193 CA TYR A 16 6.139 -0.256 -9.658 1.00 0.00 C ATOM 194 C TYR A 16 6.917 0.828 -8.917 1.00 0.00 C ATOM 195 O TYR A 16 7.602 0.569 -7.928 1.00 0.00 O ATOM 196 CB TYR A 16 4.709 -0.329 -9.120 1.00 0.00 C ATOM 197 CG TYR A 16 3.772 -1.129 -9.998 1.00 0.00 C ATOM 198 CD1 TYR A 16 3.267 -0.592 -11.176 1.00 0.00 C ATOM 199 CD2 TYR A 16 3.393 -2.419 -9.650 1.00 0.00 C ATOM 200 CE1 TYR A 16 2.410 -1.317 -11.981 1.00 0.00 C ATOM 201 CE2 TYR A 16 2.538 -3.152 -10.450 1.00 0.00 C ATOM 202 CZ TYR A 16 2.049 -2.597 -11.615 1.00 0.00 C ATOM 203 OH TYR A 16 1.197 -3.324 -12.413 1.00 0.00 O ATOM 0 H TYR A 16 6.385 -2.163 -8.824 1.00 0.00 H new ATOM 0 HA TYR A 16 6.109 0.001 -10.717 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.727 -0.771 -8.124 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.318 0.683 -9.013 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.549 0.409 -11.467 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.773 -2.856 -8.739 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.025 -0.884 -12.892 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.254 -4.154 -10.165 1.00 0.00 H new ATOM 0 HH TYR A 16 1.045 -4.205 -12.012 1.00 0.00 H new ATOM 213 N PRO A 17 6.809 2.072 -9.407 1.00 0.00 N ATOM 214 CA PRO A 17 7.494 3.221 -8.807 1.00 0.00 C ATOM 215 C PRO A 17 6.911 3.599 -7.451 1.00 0.00 C ATOM 216 O PRO A 17 7.608 4.147 -6.596 1.00 0.00 O ATOM 217 CB PRO A 17 7.261 4.342 -9.822 1.00 0.00 C ATOM 218 CG PRO A 17 6.010 3.955 -10.533 1.00 0.00 C ATOM 219 CD PRO A 17 6.011 2.453 -10.584 1.00 0.00 C ATOM 0 HA PRO A 17 8.547 3.014 -8.615 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.153 5.307 -9.328 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.099 4.430 -10.514 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.131 4.327 -10.007 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.984 4.380 -11.537 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.000 2.049 -10.532 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.455 2.083 -11.508 1.00 0.00 H new ATOM 227 N TRP A 18 5.631 3.306 -7.259 1.00 0.00 N ATOM 228 CA TRP A 18 4.954 3.615 -6.005 1.00 0.00 C ATOM 229 C TRP A 18 5.267 2.565 -4.944 1.00 0.00 C ATOM 230 O TRP A 18 4.613 2.508 -3.902 1.00 0.00 O ATOM 231 CB TRP A 18 3.443 3.702 -6.225 1.00 0.00 C ATOM 232 CG TRP A 18 2.910 2.626 -7.120 1.00 0.00 C ATOM 233 CD1 TRP A 18 2.513 2.763 -8.420 1.00 0.00 C ATOM 234 CD2 TRP A 18 2.715 1.249 -6.782 1.00 0.00 C ATOM 235 NE1 TRP A 18 2.082 1.554 -8.910 1.00 0.00 N ATOM 236 CE2 TRP A 18 2.196 0.609 -7.925 1.00 0.00 C ATOM 237 CE3 TRP A 18 2.929 0.493 -5.626 1.00 0.00 C ATOM 238 CZ2 TRP A 18 1.889 -0.750 -7.942 1.00 0.00 C ATOM 239 CZ3 TRP A 18 2.623 -0.855 -5.644 1.00 0.00 C ATOM 240 CH2 TRP A 18 2.109 -1.465 -6.796 1.00 0.00 C ATOM 0 H TRP A 18 5.040 2.854 -7.957 1.00 0.00 H new ATOM 0 HA TRP A 18 5.318 4.580 -5.652 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.939 3.645 -5.260 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.201 4.674 -6.654 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.535 3.686 -8.980 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.734 1.387 -9.854 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.327 0.954 -4.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 1.492 -1.222 -8.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.783 -1.448 -4.755 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.882 -2.521 -6.779 1.00 0.00 H new ATOM 251 N PHE A 19 6.270 1.738 -5.215 1.00 0.00 N ATOM 252 CA PHE A 19 6.668 0.688 -4.283 1.00 0.00 C ATOM 253 C PHE A 19 7.877 1.123 -3.460 1.00 0.00 C ATOM 254 O PHE A 19 8.920 1.476 -4.008 1.00 0.00 O ATOM 255 CB PHE A 19 6.991 -0.601 -5.041 1.00 0.00 C ATOM 256 CG PHE A 19 7.846 -1.557 -4.260 1.00 0.00 C ATOM 257 CD1 PHE A 19 9.226 -1.437 -4.268 1.00 0.00 C ATOM 258 CD2 PHE A 19 7.269 -2.577 -3.520 1.00 0.00 C ATOM 259 CE1 PHE A 19 10.016 -2.316 -3.549 1.00 0.00 C ATOM 260 CE2 PHE A 19 8.054 -3.458 -2.799 1.00 0.00 C ATOM 261 CZ PHE A 19 9.429 -3.328 -2.816 1.00 0.00 C ATOM 0 H PHE A 19 6.823 1.774 -6.072 1.00 0.00 H new ATOM 0 HA PHE A 19 5.835 0.503 -3.605 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.059 -1.097 -5.312 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.499 -0.348 -5.972 1.00 0.00 H new ATOM 0 HD1 PHE A 19 9.690 -0.649 -4.842 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.194 -2.685 -3.506 1.00 0.00 H new ATOM 0 HE1 PHE A 19 11.091 -2.211 -3.561 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.593 -4.247 -2.223 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.044 -4.017 -2.257 1.00 0.00 H new ATOM 271 N ALA A 20 7.727 1.095 -2.139 1.00 0.00 N ATOM 272 CA ALA A 20 8.806 1.484 -1.240 1.00 0.00 C ATOM 273 C ALA A 20 9.550 0.261 -0.714 1.00 0.00 C ATOM 274 O ALA A 20 10.769 0.288 -0.549 1.00 0.00 O ATOM 275 CB ALA A 20 8.257 2.309 -0.084 1.00 0.00 C ATOM 0 H ALA A 20 6.869 0.807 -1.669 1.00 0.00 H new ATOM 0 HA ALA A 20 9.514 2.093 -1.803 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.073 2.593 0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.777 3.207 -0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.527 1.719 0.470 1.00 0.00 H new ATOM 281 N GLY A 21 8.808 -0.810 -0.450 1.00 0.00 N ATOM 282 CA GLY A 21 9.415 -2.027 0.055 1.00 0.00 C ATOM 283 C GLY A 21 9.348 -2.124 1.567 1.00 0.00 C ATOM 284 O GLY A 21 8.366 -1.705 2.178 1.00 0.00 O ATOM 0 H GLY A 21 7.797 -0.856 -0.577 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.913 -2.889 -0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.457 -2.069 -0.263 1.00 0.00 H new ATOM 288 N ASN A 22 10.393 -2.679 2.169 1.00 0.00 N ATOM 289 CA ASN A 22 10.448 -2.832 3.619 1.00 0.00 C ATOM 290 C ASN A 22 10.850 -1.521 4.289 1.00 0.00 C ATOM 291 O ASN A 22 11.823 -1.470 5.040 1.00 0.00 O ATOM 292 CB ASN A 22 11.436 -3.937 4.000 1.00 0.00 C ATOM 293 CG ASN A 22 12.683 -3.918 3.137 1.00 0.00 C ATOM 294 OD1 ASN A 22 13.671 -3.261 3.468 1.00 0.00 O ATOM 295 ND2 ASN A 22 12.644 -4.643 2.025 1.00 0.00 N ATOM 0 H ASN A 22 11.214 -3.031 1.676 1.00 0.00 H new ATOM 0 HA ASN A 22 9.453 -3.108 3.968 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.719 -3.823 5.046 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.947 -4.907 3.906 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.454 -4.671 1.406 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.804 -5.172 1.790 1.00 0.00 H new ATOM 302 N MET A 23 10.091 -0.466 4.014 1.00 0.00 N ATOM 303 CA MET A 23 10.367 0.845 4.592 1.00 0.00 C ATOM 304 C MET A 23 9.774 0.956 5.992 1.00 0.00 C ATOM 305 O MET A 23 8.818 0.259 6.329 1.00 0.00 O ATOM 306 CB MET A 23 9.803 1.950 3.697 1.00 0.00 C ATOM 307 CG MET A 23 9.897 3.336 4.311 1.00 0.00 C ATOM 308 SD MET A 23 9.938 4.645 3.070 1.00 0.00 S ATOM 309 CE MET A 23 8.283 4.525 2.398 1.00 0.00 C ATOM 0 H MET A 23 9.281 -0.492 3.395 1.00 0.00 H new ATOM 0 HA MET A 23 11.448 0.963 4.664 1.00 0.00 H new ATOM 0 HB2 MET A 23 10.338 1.945 2.747 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.759 1.730 3.476 1.00 0.00 H new ATOM 0 HG2 MET A 23 9.045 3.495 4.973 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.794 3.396 4.927 1.00 0.00 H new ATOM 0 HE1 MET A 23 8.307 4.746 1.331 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.901 3.516 2.551 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.633 5.240 2.903 1.00 0.00 H new ATOM 319 N GLU A 24 10.350 1.838 6.805 1.00 0.00 N ATOM 320 CA GLU A 24 9.878 2.039 8.170 1.00 0.00 C ATOM 321 C GLU A 24 8.912 3.218 8.243 1.00 0.00 C ATOM 322 O GLU A 24 9.147 4.264 7.638 1.00 0.00 O ATOM 323 CB GLU A 24 11.060 2.273 9.113 1.00 0.00 C ATOM 324 CG GLU A 24 12.061 1.131 9.130 1.00 0.00 C ATOM 325 CD GLU A 24 12.966 1.165 10.346 1.00 0.00 C ATOM 326 OE1 GLU A 24 12.437 1.182 11.478 1.00 0.00 O ATOM 327 OE2 GLU A 24 14.201 1.175 10.166 1.00 0.00 O ATOM 0 H GLU A 24 11.143 2.423 6.542 1.00 0.00 H new ATOM 0 HA GLU A 24 9.348 1.138 8.481 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.572 3.189 8.819 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.682 2.429 10.124 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.524 0.182 9.108 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.670 1.174 8.227 1.00 0.00 H new ATOM 334 N ARG A 25 7.827 3.041 8.990 1.00 0.00 N ATOM 335 CA ARG A 25 6.825 4.090 9.142 1.00 0.00 C ATOM 336 C ARG A 25 7.479 5.469 9.154 1.00 0.00 C ATOM 337 O ARG A 25 7.246 6.283 8.261 1.00 0.00 O ATOM 338 CB ARG A 25 6.029 3.880 10.432 1.00 0.00 C ATOM 339 CG ARG A 25 5.026 4.988 10.714 1.00 0.00 C ATOM 340 CD ARG A 25 4.696 5.075 12.195 1.00 0.00 C ATOM 341 NE ARG A 25 5.700 5.833 12.936 1.00 0.00 N ATOM 342 CZ ARG A 25 5.499 6.327 14.154 1.00 0.00 C ATOM 343 NH1 ARG A 25 4.338 6.142 14.763 1.00 0.00 N ATOM 344 NH2 ARG A 25 6.462 7.006 14.763 1.00 0.00 N ATOM 0 H ARG A 25 7.619 2.182 9.499 1.00 0.00 H new ATOM 0 HA ARG A 25 6.146 4.036 8.291 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.500 2.929 10.372 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.723 3.807 11.270 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.430 5.941 10.373 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.113 4.807 10.146 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.721 5.545 12.322 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.622 4.070 12.610 1.00 0.00 H new ATOM 0 HE ARG A 25 6.606 5.992 12.495 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.596 5.620 14.298 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.186 6.522 15.697 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.358 7.150 14.297 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.307 7.385 15.697 1.00 0.00 H new ATOM 358 N GLN A 26 8.296 5.723 10.171 1.00 0.00 N ATOM 359 CA GLN A 26 8.981 7.003 10.298 1.00 0.00 C ATOM 360 C GLN A 26 9.588 7.431 8.966 1.00 0.00 C ATOM 361 O GLN A 26 9.313 8.524 8.472 1.00 0.00 O ATOM 362 CB GLN A 26 10.075 6.916 11.365 1.00 0.00 C ATOM 363 CG GLN A 26 10.665 8.265 11.743 1.00 0.00 C ATOM 364 CD GLN A 26 11.271 8.269 13.132 1.00 0.00 C ATOM 365 OE1 GLN A 26 11.375 7.228 13.779 1.00 0.00 O ATOM 366 NE2 GLN A 26 11.674 9.445 13.599 1.00 0.00 N ATOM 0 H GLN A 26 8.499 5.059 10.918 1.00 0.00 H new ATOM 0 HA GLN A 26 8.247 7.751 10.599 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.663 6.446 12.258 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.873 6.268 11.003 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.430 8.539 11.016 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.886 9.026 11.688 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.569 10.284 13.028 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.089 9.510 14.529 1.00 0.00 H new ATOM 375 N GLN A 27 10.414 6.563 8.391 1.00 0.00 N ATOM 376 CA GLN A 27 11.059 6.852 7.116 1.00 0.00 C ATOM 377 C GLN A 27 10.041 7.331 6.086 1.00 0.00 C ATOM 378 O GLN A 27 10.366 8.114 5.193 1.00 0.00 O ATOM 379 CB GLN A 27 11.785 5.611 6.594 1.00 0.00 C ATOM 380 CG GLN A 27 12.881 5.925 5.589 1.00 0.00 C ATOM 381 CD GLN A 27 13.705 4.705 5.223 1.00 0.00 C ATOM 382 OE1 GLN A 27 14.732 4.428 5.842 1.00 0.00 O ATOM 383 NE2 GLN A 27 13.256 3.969 4.214 1.00 0.00 N ATOM 0 H GLN A 27 10.652 5.654 8.788 1.00 0.00 H new ATOM 0 HA GLN A 27 11.786 7.648 7.278 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.220 5.073 7.437 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.059 4.944 6.130 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.433 6.340 4.686 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.537 6.692 6.001 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.399 4.237 3.729 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.768 3.136 3.923 1.00 0.00 H new ATOM 392 N THR A 28 8.806 6.855 6.217 1.00 0.00 N ATOM 393 CA THR A 28 7.741 7.232 5.297 1.00 0.00 C ATOM 394 C THR A 28 7.234 8.640 5.591 1.00 0.00 C ATOM 395 O THR A 28 7.075 9.456 4.683 1.00 0.00 O ATOM 396 CB THR A 28 6.559 6.248 5.371 1.00 0.00 C ATOM 397 OG1 THR A 28 7.044 4.901 5.377 1.00 0.00 O ATOM 398 CG2 THR A 28 5.613 6.447 4.197 1.00 0.00 C ATOM 0 H THR A 28 8.520 6.208 6.952 1.00 0.00 H new ATOM 0 HA THR A 28 8.166 7.203 4.294 1.00 0.00 H new ATOM 0 HB THR A 28 6.011 6.441 6.293 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.464 4.708 6.241 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.786 5.740 4.272 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.223 7.465 4.213 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.151 6.279 3.264 1.00 0.00 H new ATOM 406 N ASP A 29 6.982 8.919 6.865 1.00 0.00 N ATOM 407 CA ASP A 29 6.494 10.229 7.280 1.00 0.00 C ATOM 408 C ASP A 29 7.553 11.302 7.047 1.00 0.00 C ATOM 409 O ASP A 29 7.232 12.473 6.853 1.00 0.00 O ATOM 410 CB ASP A 29 6.090 10.204 8.755 1.00 0.00 C ATOM 411 CG ASP A 29 5.579 11.547 9.238 1.00 0.00 C ATOM 412 OD1 ASP A 29 6.343 12.532 9.169 1.00 0.00 O ATOM 413 OD2 ASP A 29 4.415 11.612 9.686 1.00 0.00 O ATOM 0 H ASP A 29 7.108 8.255 7.629 1.00 0.00 H new ATOM 0 HA ASP A 29 5.619 10.471 6.677 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.318 9.450 8.904 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.947 9.906 9.359 1.00 0.00 H new ATOM 418 N ASN A 30 8.818 10.892 7.069 1.00 0.00 N ATOM 419 CA ASN A 30 9.925 11.818 6.862 1.00 0.00 C ATOM 420 C ASN A 30 10.031 12.219 5.394 1.00 0.00 C ATOM 421 O ASN A 30 10.382 13.355 5.073 1.00 0.00 O ATOM 422 CB ASN A 30 11.239 11.187 7.327 1.00 0.00 C ATOM 423 CG ASN A 30 11.411 11.253 8.832 1.00 0.00 C ATOM 424 OD1 ASN A 30 10.488 11.623 9.558 1.00 0.00 O ATOM 425 ND2 ASN A 30 12.598 10.893 9.307 1.00 0.00 N ATOM 0 H ASN A 30 9.101 9.925 7.228 1.00 0.00 H new ATOM 0 HA ASN A 30 9.732 12.714 7.452 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.273 10.146 7.005 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.074 11.697 6.846 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.774 10.916 10.311 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.334 10.593 8.667 1.00 0.00 H new ATOM 432 N LEU A 31 9.726 11.279 4.507 1.00 0.00 N ATOM 433 CA LEU A 31 9.787 11.534 3.071 1.00 0.00 C ATOM 434 C LEU A 31 8.434 11.999 2.543 1.00 0.00 C ATOM 435 O LEU A 31 8.354 12.663 1.508 1.00 0.00 O ATOM 436 CB LEU A 31 10.232 10.273 2.328 1.00 0.00 C ATOM 437 CG LEU A 31 9.132 9.259 2.009 1.00 0.00 C ATOM 438 CD1 LEU A 31 8.460 9.597 0.688 1.00 0.00 C ATOM 439 CD2 LEU A 31 9.702 7.848 1.975 1.00 0.00 C ATOM 0 H LEU A 31 9.434 10.334 4.756 1.00 0.00 H new ATOM 0 HA LEU A 31 10.515 12.326 2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.704 10.574 1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.996 9.775 2.924 1.00 0.00 H new ATOM 0 HG LEU A 31 8.380 9.307 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.681 8.864 0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.017 10.591 0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.200 9.578 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.906 7.139 1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.474 7.786 1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.135 7.607 2.946 1.00 0.00 H new ATOM 451 N LEU A 32 7.372 11.648 3.260 1.00 0.00 N ATOM 452 CA LEU A 32 6.021 12.032 2.866 1.00 0.00 C ATOM 453 C LEU A 32 5.679 13.426 3.381 1.00 0.00 C ATOM 454 O LEU A 32 5.198 14.276 2.631 1.00 0.00 O ATOM 455 CB LEU A 32 5.007 11.016 3.395 1.00 0.00 C ATOM 456 CG LEU A 32 4.843 9.739 2.570 1.00 0.00 C ATOM 457 CD1 LEU A 32 3.671 8.918 3.085 1.00 0.00 C ATOM 458 CD2 LEU A 32 4.655 10.075 1.098 1.00 0.00 C ATOM 0 H LEU A 32 7.420 11.098 4.118 1.00 0.00 H new ATOM 0 HA LEU A 32 5.976 12.047 1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.298 10.736 4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.036 11.506 3.467 1.00 0.00 H new ATOM 0 HG LEU A 32 5.750 9.144 2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.570 8.013 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.847 8.646 4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.756 9.505 3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.540 9.154 0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.764 10.691 0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.526 10.621 0.735 1.00 0.00 H new ATOM 470 N LYS A 33 5.932 13.655 4.665 1.00 0.00 N ATOM 471 CA LYS A 33 5.653 14.948 5.280 1.00 0.00 C ATOM 472 C LYS A 33 5.967 16.088 4.317 1.00 0.00 C ATOM 473 O LYS A 33 5.166 17.008 4.149 1.00 0.00 O ATOM 474 CB LYS A 33 6.472 15.111 6.563 1.00 0.00 C ATOM 475 CG LYS A 33 7.971 15.003 6.347 1.00 0.00 C ATOM 476 CD LYS A 33 8.719 14.895 7.665 1.00 0.00 C ATOM 477 CE LYS A 33 8.599 16.174 8.480 1.00 0.00 C ATOM 478 NZ LYS A 33 9.496 17.246 7.966 1.00 0.00 N ATOM 0 H LYS A 33 6.330 12.963 5.300 1.00 0.00 H new ATOM 0 HA LYS A 33 4.591 14.985 5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.247 16.081 7.007 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.161 14.352 7.281 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.189 14.130 5.732 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.324 15.876 5.798 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.325 14.057 8.241 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.770 14.683 7.472 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.567 16.523 8.458 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.843 15.965 9.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.385 18.101 8.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.484 16.923 8.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.247 17.464 6.980 1.00 0.00 H new ATOM 492 N SER A 34 7.135 16.020 3.686 1.00 0.00 N ATOM 493 CA SER A 34 7.554 17.049 2.742 1.00 0.00 C ATOM 494 C SER A 34 6.730 16.977 1.459 1.00 0.00 C ATOM 495 O SER A 34 6.340 18.002 0.900 1.00 0.00 O ATOM 496 CB SER A 34 9.041 16.896 2.415 1.00 0.00 C ATOM 497 OG SER A 34 9.848 17.480 3.424 1.00 0.00 O ATOM 0 H SER A 34 7.807 15.263 3.811 1.00 0.00 H new ATOM 0 HA SER A 34 7.389 18.022 3.206 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.288 15.839 2.314 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.256 17.366 1.455 1.00 0.00 H new ATOM 0 HG SER A 34 10.794 17.367 3.193 1.00 0.00 H new ATOM 503 N HIS A 35 6.469 15.757 0.999 1.00 0.00 N ATOM 504 CA HIS A 35 5.690 15.550 -0.217 1.00 0.00 C ATOM 505 C HIS A 35 4.368 16.306 -0.151 1.00 0.00 C ATOM 506 O HIS A 35 4.031 16.899 0.873 1.00 0.00 O ATOM 507 CB HIS A 35 5.429 14.059 -0.433 1.00 0.00 C ATOM 508 CG HIS A 35 6.495 13.374 -1.232 1.00 0.00 C ATOM 509 ND1 HIS A 35 7.003 13.889 -2.406 1.00 0.00 N ATOM 510 CD2 HIS A 35 7.149 12.208 -1.020 1.00 0.00 C ATOM 511 CE1 HIS A 35 7.923 13.068 -2.881 1.00 0.00 C ATOM 512 NE2 HIS A 35 8.031 12.041 -2.059 1.00 0.00 N ATOM 0 H HIS A 35 6.785 14.898 1.449 1.00 0.00 H new ATOM 0 HA HIS A 35 6.266 15.936 -1.058 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.342 13.569 0.537 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.471 13.936 -0.939 1.00 0.00 H new ATOM 0 HD1 HIS A 35 6.714 14.766 -2.840 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.004 11.534 -0.188 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.491 13.213 -3.788 1.00 0.00 H new ATOM 521 N ALA A 36 3.621 16.281 -1.251 1.00 0.00 N ATOM 522 CA ALA A 36 2.334 16.963 -1.317 1.00 0.00 C ATOM 523 C ALA A 36 1.234 16.122 -0.679 1.00 0.00 C ATOM 524 O ALA A 36 1.494 15.039 -0.153 1.00 0.00 O ATOM 525 CB ALA A 36 1.982 17.287 -2.760 1.00 0.00 C ATOM 0 H ALA A 36 3.885 15.796 -2.108 1.00 0.00 H new ATOM 0 HA ALA A 36 2.415 17.894 -0.756 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.019 17.796 -2.794 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.749 17.934 -3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.925 16.364 -3.337 1.00 0.00 H new ATOM 531 N SER A 37 0.006 16.627 -0.727 1.00 0.00 N ATOM 532 CA SER A 37 -1.134 15.924 -0.149 1.00 0.00 C ATOM 533 C SER A 37 -1.715 14.924 -1.144 1.00 0.00 C ATOM 534 O SER A 37 -2.885 14.553 -1.056 1.00 0.00 O ATOM 535 CB SER A 37 -2.211 16.921 0.278 1.00 0.00 C ATOM 536 OG SER A 37 -1.694 17.870 1.195 1.00 0.00 O ATOM 0 H SER A 37 -0.226 17.521 -1.160 1.00 0.00 H new ATOM 0 HA SER A 37 -0.787 15.378 0.728 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.603 17.435 -0.599 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.045 16.387 0.734 1.00 0.00 H new ATOM 0 HG SER A 37 -2.402 18.497 1.451 1.00 0.00 H new ATOM 542 N GLY A 38 -0.888 14.491 -2.091 1.00 0.00 N ATOM 543 CA GLY A 38 -1.338 13.538 -3.089 1.00 0.00 C ATOM 544 C GLY A 38 -0.340 12.418 -3.313 1.00 0.00 C ATOM 545 O GLY A 38 -0.596 11.493 -4.084 1.00 0.00 O ATOM 0 H GLY A 38 0.085 14.783 -2.185 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.292 13.113 -2.777 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.513 14.058 -4.031 1.00 0.00 H new ATOM 549 N THR A 39 0.801 12.502 -2.637 1.00 0.00 N ATOM 550 CA THR A 39 1.842 11.490 -2.768 1.00 0.00 C ATOM 551 C THR A 39 1.435 10.191 -2.082 1.00 0.00 C ATOM 552 O THR A 39 1.252 10.150 -0.865 1.00 0.00 O ATOM 553 CB THR A 39 3.176 11.975 -2.170 1.00 0.00 C ATOM 554 OG1 THR A 39 3.645 13.122 -2.888 1.00 0.00 O ATOM 555 CG2 THR A 39 4.224 10.874 -2.222 1.00 0.00 C ATOM 0 H THR A 39 1.028 13.260 -1.993 1.00 0.00 H new ATOM 0 HA THR A 39 1.974 11.310 -3.835 1.00 0.00 H new ATOM 0 HB THR A 39 3.006 12.244 -1.127 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.582 12.988 -3.142 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.157 11.240 -1.794 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.876 10.013 -1.651 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.391 10.579 -3.258 1.00 0.00 H new ATOM 563 N TYR A 40 1.295 9.131 -2.870 1.00 0.00 N ATOM 564 CA TYR A 40 0.907 7.829 -2.338 1.00 0.00 C ATOM 565 C TYR A 40 2.010 6.799 -2.561 1.00 0.00 C ATOM 566 O TYR A 40 2.901 6.995 -3.387 1.00 0.00 O ATOM 567 CB TYR A 40 -0.390 7.352 -2.994 1.00 0.00 C ATOM 568 CG TYR A 40 -0.192 6.762 -4.372 1.00 0.00 C ATOM 569 CD1 TYR A 40 -0.057 7.580 -5.487 1.00 0.00 C ATOM 570 CD2 TYR A 40 -0.137 5.387 -4.558 1.00 0.00 C ATOM 571 CE1 TYR A 40 0.125 7.044 -6.748 1.00 0.00 C ATOM 572 CE2 TYR A 40 0.046 4.842 -5.814 1.00 0.00 C ATOM 573 CZ TYR A 40 0.175 5.675 -6.906 1.00 0.00 C ATOM 574 OH TYR A 40 0.357 5.138 -8.160 1.00 0.00 O ATOM 0 H TYR A 40 1.444 9.147 -3.879 1.00 0.00 H new ATOM 0 HA TYR A 40 0.746 7.937 -1.265 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.858 6.605 -2.352 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.082 8.191 -3.064 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.095 8.653 -5.366 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.239 4.732 -3.705 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.227 7.694 -7.605 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.088 3.770 -5.940 1.00 0.00 H new ATOM 0 HH TYR A 40 1.036 4.433 -8.118 1.00 0.00 H new ATOM 584 N LEU A 41 1.943 5.700 -1.817 1.00 0.00 N ATOM 585 CA LEU A 41 2.935 4.637 -1.931 1.00 0.00 C ATOM 586 C LEU A 41 2.506 3.404 -1.143 1.00 0.00 C ATOM 587 O LEU A 41 1.580 3.465 -0.333 1.00 0.00 O ATOM 588 CB LEU A 41 4.296 5.127 -1.433 1.00 0.00 C ATOM 589 CG LEU A 41 4.591 4.897 0.049 1.00 0.00 C ATOM 590 CD1 LEU A 41 5.253 3.544 0.258 1.00 0.00 C ATOM 591 CD2 LEU A 41 5.469 6.013 0.597 1.00 0.00 C ATOM 0 H LEU A 41 1.212 5.522 -1.128 1.00 0.00 H new ATOM 0 HA LEU A 41 3.017 4.362 -2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.073 4.635 -2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.372 6.195 -1.636 1.00 0.00 H new ATOM 0 HG LEU A 41 3.647 4.904 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.455 3.398 1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.589 2.755 -0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.190 3.507 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.669 5.833 1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.411 6.038 0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.957 6.968 0.482 1.00 0.00 H new ATOM 603 N ILE A 42 3.185 2.288 -1.383 1.00 0.00 N ATOM 604 CA ILE A 42 2.875 1.042 -0.693 1.00 0.00 C ATOM 605 C ILE A 42 4.135 0.405 -0.117 1.00 0.00 C ATOM 606 O ILE A 42 5.052 0.041 -0.855 1.00 0.00 O ATOM 607 CB ILE A 42 2.188 0.033 -1.632 1.00 0.00 C ATOM 608 CG1 ILE A 42 0.779 0.514 -1.989 1.00 0.00 C ATOM 609 CG2 ILE A 42 2.136 -1.342 -0.985 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.745 1.465 -3.165 1.00 0.00 C ATOM 0 H ILE A 42 3.954 2.221 -2.050 1.00 0.00 H new ATOM 0 HA ILE A 42 2.192 1.293 0.119 1.00 0.00 H new ATOM 0 HB ILE A 42 2.770 -0.041 -2.550 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.155 -0.351 -2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.341 1.007 -1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.648 -2.044 -1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.150 -1.685 -0.776 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.573 -1.285 -0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.285 1.764 -3.361 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.342 2.348 -2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.153 0.969 -4.046 1.00 0.00 H new ATOM 622 N ARG A 43 4.174 0.272 1.205 1.00 0.00 N ATOM 623 CA ARG A 43 5.321 -0.321 1.880 1.00 0.00 C ATOM 624 C ARG A 43 4.889 -1.492 2.758 1.00 0.00 C ATOM 625 O ARG A 43 3.733 -1.577 3.170 1.00 0.00 O ATOM 626 CB ARG A 43 6.040 0.729 2.729 1.00 0.00 C ATOM 627 CG ARG A 43 5.104 1.743 3.363 1.00 0.00 C ATOM 628 CD ARG A 43 4.504 1.216 4.657 1.00 0.00 C ATOM 629 NE ARG A 43 5.502 1.104 5.717 1.00 0.00 N ATOM 630 CZ ARG A 43 5.223 0.693 6.949 1.00 0.00 C ATOM 631 NH1 ARG A 43 3.982 0.355 7.273 1.00 0.00 N ATOM 632 NH2 ARG A 43 6.186 0.617 7.859 1.00 0.00 N ATOM 0 H ARG A 43 3.424 0.567 1.830 1.00 0.00 H new ATOM 0 HA ARG A 43 6.006 -0.693 1.118 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.603 0.225 3.515 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.763 1.255 2.106 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.648 2.666 3.563 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.305 1.989 2.664 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.703 1.880 4.982 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.055 0.239 4.477 1.00 0.00 H new ATOM 0 HE ARG A 43 6.466 1.355 5.500 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.240 0.410 6.576 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.770 0.040 8.220 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.142 0.874 7.613 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.970 0.301 8.805 1.00 0.00 H new ATOM 646 N GLU A 44 5.826 -2.391 3.041 1.00 0.00 N ATOM 647 CA GLU A 44 5.542 -3.557 3.870 1.00 0.00 C ATOM 648 C GLU A 44 6.036 -3.344 5.297 1.00 0.00 C ATOM 649 O GLU A 44 7.174 -2.925 5.516 1.00 0.00 O ATOM 650 CB GLU A 44 6.194 -4.806 3.273 1.00 0.00 C ATOM 651 CG GLU A 44 6.483 -5.890 4.298 1.00 0.00 C ATOM 652 CD GLU A 44 7.749 -5.621 5.089 1.00 0.00 C ATOM 653 OE1 GLU A 44 8.719 -5.104 4.498 1.00 0.00 O ATOM 654 OE2 GLU A 44 7.769 -5.930 6.299 1.00 0.00 O ATOM 0 H GLU A 44 6.789 -2.335 2.708 1.00 0.00 H new ATOM 0 HA GLU A 44 4.461 -3.698 3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.541 -5.213 2.501 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.126 -4.521 2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.640 -5.970 4.984 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.573 -6.850 3.790 1.00 0.00 H new ATOM 749 N ARG A 51 0.851 -7.811 5.923 1.00 0.00 N ATOM 750 CA ARG A 51 2.090 -7.938 5.166 1.00 0.00 C ATOM 751 C ARG A 51 2.346 -6.689 4.327 1.00 0.00 C ATOM 752 O ARG A 51 3.472 -6.195 4.257 1.00 0.00 O ATOM 753 CB ARG A 51 2.037 -9.171 4.263 1.00 0.00 C ATOM 754 CG ARG A 51 3.163 -9.228 3.243 1.00 0.00 C ATOM 755 CD ARG A 51 3.249 -10.597 2.585 1.00 0.00 C ATOM 756 NE ARG A 51 3.830 -11.597 3.477 1.00 0.00 N ATOM 757 CZ ARG A 51 3.111 -12.362 4.290 1.00 0.00 C ATOM 758 NH1 ARG A 51 1.791 -12.243 4.323 1.00 0.00 N ATOM 759 NH2 ARG A 51 3.712 -13.250 5.072 1.00 0.00 N ATOM 0 HA ARG A 51 2.910 -8.051 5.876 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.074 -10.067 4.883 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.082 -9.186 3.738 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.004 -8.466 2.480 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.110 -8.997 3.731 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.252 -10.917 2.282 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.850 -10.527 1.679 1.00 0.00 H new ATOM 0 HE ARG A 51 4.843 -11.714 3.475 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.325 -11.562 3.723 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.241 -12.832 4.949 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.727 -13.345 5.049 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.159 -13.837 5.696 1.00 0.00 H new ATOM 773 N PHE A 52 1.294 -6.184 3.692 1.00 0.00 N ATOM 774 CA PHE A 52 1.404 -4.995 2.856 1.00 0.00 C ATOM 775 C PHE A 52 0.740 -3.795 3.527 1.00 0.00 C ATOM 776 O PHE A 52 -0.243 -3.943 4.253 1.00 0.00 O ATOM 777 CB PHE A 52 0.767 -5.245 1.487 1.00 0.00 C ATOM 778 CG PHE A 52 1.637 -6.045 0.559 1.00 0.00 C ATOM 779 CD1 PHE A 52 2.952 -5.674 0.329 1.00 0.00 C ATOM 780 CD2 PHE A 52 1.138 -7.167 -0.083 1.00 0.00 C ATOM 781 CE1 PHE A 52 3.754 -6.408 -0.524 1.00 0.00 C ATOM 782 CE2 PHE A 52 1.936 -7.905 -0.937 1.00 0.00 C ATOM 783 CZ PHE A 52 3.245 -7.524 -1.158 1.00 0.00 C ATOM 0 H PHE A 52 0.355 -6.580 3.741 1.00 0.00 H new ATOM 0 HA PHE A 52 2.463 -4.774 2.721 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.180 -5.767 1.625 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.537 -4.287 1.021 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.355 -4.801 0.822 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.115 -7.468 0.086 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.778 -6.109 -0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.536 -8.778 -1.431 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.870 -8.098 -1.826 1.00 0.00 H new ATOM 793 N ALA A 53 1.284 -2.609 3.276 1.00 0.00 N ATOM 794 CA ALA A 53 0.744 -1.384 3.854 1.00 0.00 C ATOM 795 C ALA A 53 0.760 -0.245 2.840 1.00 0.00 C ATOM 796 O ALA A 53 1.595 -0.220 1.934 1.00 0.00 O ATOM 797 CB ALA A 53 1.529 -0.997 5.098 1.00 0.00 C ATOM 0 H ALA A 53 2.098 -2.470 2.677 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.292 -1.570 4.135 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.115 -0.081 5.519 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.462 -1.798 5.835 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.574 -0.835 4.833 1.00 0.00 H new ATOM 803 N ILE A 54 -0.165 0.694 2.997 1.00 0.00 N ATOM 804 CA ILE A 54 -0.256 1.835 2.094 1.00 0.00 C ATOM 805 C ILE A 54 -0.114 3.150 2.855 1.00 0.00 C ATOM 806 O ILE A 54 -0.831 3.399 3.825 1.00 0.00 O ATOM 807 CB ILE A 54 -1.591 1.842 1.326 1.00 0.00 C ATOM 808 CG1 ILE A 54 -1.890 0.448 0.770 1.00 0.00 C ATOM 809 CG2 ILE A 54 -1.551 2.868 0.204 1.00 0.00 C ATOM 810 CD1 ILE A 54 -3.292 0.305 0.219 1.00 0.00 C ATOM 0 H ILE A 54 -0.863 0.688 3.741 1.00 0.00 H new ATOM 0 HA ILE A 54 0.563 1.739 1.381 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.389 2.118 2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.173 0.219 -0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.742 -0.289 1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.501 2.861 -0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.377 3.859 0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.745 2.620 -0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.433 -0.708 -0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.016 0.502 1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.438 1.018 -0.593 1.00 0.00 H new ATOM 822 N SER A 55 0.814 3.990 2.406 1.00 0.00 N ATOM 823 CA SER A 55 1.052 5.278 3.045 1.00 0.00 C ATOM 824 C SER A 55 0.878 6.420 2.048 1.00 0.00 C ATOM 825 O SER A 55 1.675 6.576 1.122 1.00 0.00 O ATOM 826 CB SER A 55 2.458 5.321 3.647 1.00 0.00 C ATOM 827 OG SER A 55 2.457 4.842 4.980 1.00 0.00 O ATOM 0 H SER A 55 1.413 3.801 1.602 1.00 0.00 H new ATOM 0 HA SER A 55 0.319 5.401 3.843 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.135 4.718 3.041 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.835 6.343 3.625 1.00 0.00 H new ATOM 0 HG SER A 55 2.697 5.571 5.590 1.00 0.00 H new ATOM 833 N ILE A 56 -0.170 7.214 2.244 1.00 0.00 N ATOM 834 CA ILE A 56 -0.448 8.341 1.363 1.00 0.00 C ATOM 835 C ILE A 56 -0.490 9.650 2.143 1.00 0.00 C ATOM 836 O ILE A 56 -1.155 9.751 3.175 1.00 0.00 O ATOM 837 CB ILE A 56 -1.783 8.157 0.619 1.00 0.00 C ATOM 838 CG1 ILE A 56 -2.027 6.676 0.323 1.00 0.00 C ATOM 839 CG2 ILE A 56 -1.787 8.967 -0.669 1.00 0.00 C ATOM 840 CD1 ILE A 56 -2.746 5.948 1.437 1.00 0.00 C ATOM 0 H ILE A 56 -0.840 7.097 3.005 1.00 0.00 H new ATOM 0 HA ILE A 56 0.362 8.380 0.635 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.590 8.519 1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.611 6.588 -0.593 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.070 6.188 0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.737 8.827 -1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.653 10.023 -0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.973 8.632 -1.312 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.885 4.903 1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.154 6.004 2.350 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.718 6.411 1.606 1.00 0.00 H new ATOM 852 N LYS A 57 0.222 10.655 1.643 1.00 0.00 N ATOM 853 CA LYS A 57 0.264 11.960 2.289 1.00 0.00 C ATOM 854 C LYS A 57 -0.977 12.778 1.947 1.00 0.00 C ATOM 855 O LYS A 57 -1.244 13.060 0.779 1.00 0.00 O ATOM 856 CB LYS A 57 1.523 12.723 1.864 1.00 0.00 C ATOM 857 CG LYS A 57 1.708 14.043 2.591 1.00 0.00 C ATOM 858 CD LYS A 57 2.052 13.829 4.056 1.00 0.00 C ATOM 859 CE LYS A 57 1.700 15.048 4.894 1.00 0.00 C ATOM 860 NZ LYS A 57 2.446 16.259 4.454 1.00 0.00 N ATOM 0 H LYS A 57 0.778 10.589 0.791 1.00 0.00 H new ATOM 0 HA LYS A 57 0.288 11.802 3.367 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.396 12.095 2.041 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.479 12.912 0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.501 14.616 2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.795 14.633 2.513 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.515 12.959 4.434 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.116 13.614 4.153 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.629 15.237 4.827 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.923 14.845 5.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.555 16.911 5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.385 15.980 4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.920 16.733 3.692 1.00 0.00 H new ATOM 874 N PHE A 58 -1.732 13.156 2.973 1.00 0.00 N ATOM 875 CA PHE A 58 -2.946 13.941 2.781 1.00 0.00 C ATOM 876 C PHE A 58 -3.258 14.773 4.021 1.00 0.00 C ATOM 877 O PHE A 58 -3.006 14.346 5.147 1.00 0.00 O ATOM 878 CB PHE A 58 -4.127 13.023 2.458 1.00 0.00 C ATOM 879 CG PHE A 58 -5.428 13.756 2.293 1.00 0.00 C ATOM 880 CD1 PHE A 58 -5.781 14.301 1.069 1.00 0.00 C ATOM 881 CD2 PHE A 58 -6.298 13.901 3.362 1.00 0.00 C ATOM 882 CE1 PHE A 58 -6.977 14.975 0.914 1.00 0.00 C ATOM 883 CE2 PHE A 58 -7.495 14.574 3.212 1.00 0.00 C ATOM 884 CZ PHE A 58 -7.835 15.113 1.987 1.00 0.00 C ATOM 0 H PHE A 58 -1.525 12.931 3.946 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.782 14.618 1.943 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.910 12.474 1.542 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.233 12.286 3.254 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.113 14.198 0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.037 13.483 4.323 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.241 15.394 -0.046 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.165 14.679 4.053 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.770 15.641 1.868 1.00 0.00 H new ATOM 894 N ASN A 59 -3.806 15.964 3.804 1.00 0.00 N ATOM 895 CA ASN A 59 -4.151 16.858 4.905 1.00 0.00 C ATOM 896 C ASN A 59 -2.930 17.153 5.770 1.00 0.00 C ATOM 897 O ASN A 59 -3.025 17.213 6.996 1.00 0.00 O ATOM 898 CB ASN A 59 -5.259 16.241 5.761 1.00 0.00 C ATOM 899 CG ASN A 59 -6.114 17.292 6.444 1.00 0.00 C ATOM 900 OD1 ASN A 59 -5.642 18.385 6.757 1.00 0.00 O ATOM 901 ND2 ASN A 59 -7.379 16.964 6.679 1.00 0.00 N ATOM 0 H ASN A 59 -4.021 16.333 2.878 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.508 17.796 4.480 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.892 15.613 5.134 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.813 15.592 6.515 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.002 17.630 7.136 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.728 16.046 6.402 1.00 0.00 H new ATOM 908 N ASP A 60 -1.785 17.338 5.123 1.00 0.00 N ATOM 909 CA ASP A 60 -0.544 17.629 5.832 1.00 0.00 C ATOM 910 C ASP A 60 -0.236 16.543 6.858 1.00 0.00 C ATOM 911 O ASP A 60 0.417 16.798 7.869 1.00 0.00 O ATOM 912 CB ASP A 60 -0.634 18.991 6.523 1.00 0.00 C ATOM 913 CG ASP A 60 0.692 19.432 7.108 1.00 0.00 C ATOM 914 OD1 ASP A 60 1.741 19.104 6.515 1.00 0.00 O ATOM 915 OD2 ASP A 60 0.682 20.106 8.160 1.00 0.00 O ATOM 0 H ASP A 60 -1.690 17.292 4.108 1.00 0.00 H new ATOM 0 HA ASP A 60 0.265 17.653 5.102 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.977 19.737 5.806 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.380 18.944 7.316 1.00 0.00 H new ATOM 920 N GLU A 61 -0.714 15.331 6.591 1.00 0.00 N ATOM 921 CA GLU A 61 -0.492 14.208 7.493 1.00 0.00 C ATOM 922 C GLU A 61 -0.384 12.898 6.714 1.00 0.00 C ATOM 923 O GLU A 61 -1.214 12.604 5.855 1.00 0.00 O ATOM 924 CB GLU A 61 -1.626 14.113 8.516 1.00 0.00 C ATOM 925 CG GLU A 61 -1.661 15.275 9.494 1.00 0.00 C ATOM 926 CD GLU A 61 -2.721 15.104 10.565 1.00 0.00 C ATOM 927 OE1 GLU A 61 -3.921 15.134 10.223 1.00 0.00 O ATOM 928 OE2 GLU A 61 -2.349 14.940 11.746 1.00 0.00 O ATOM 0 H GLU A 61 -1.257 15.103 5.758 1.00 0.00 H new ATOM 0 HA GLU A 61 0.448 14.378 8.019 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.578 14.065 7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.524 13.182 9.074 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.684 15.376 9.967 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.848 16.200 8.948 1.00 0.00 H new ATOM 935 N VAL A 62 0.647 12.118 7.022 1.00 0.00 N ATOM 936 CA VAL A 62 0.866 10.841 6.354 1.00 0.00 C ATOM 937 C VAL A 62 0.104 9.719 7.050 1.00 0.00 C ATOM 938 O VAL A 62 0.384 9.385 8.202 1.00 0.00 O ATOM 939 CB VAL A 62 2.362 10.480 6.307 1.00 0.00 C ATOM 940 CG1 VAL A 62 3.074 10.993 7.549 1.00 0.00 C ATOM 941 CG2 VAL A 62 2.543 8.976 6.162 1.00 0.00 C ATOM 0 H VAL A 62 1.344 12.348 7.730 1.00 0.00 H new ATOM 0 HA VAL A 62 0.495 10.950 5.335 1.00 0.00 H new ATOM 0 HB VAL A 62 2.807 10.962 5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.130 10.729 7.498 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.974 12.077 7.604 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.629 10.542 8.436 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.606 8.739 6.130 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.084 8.471 7.012 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.069 8.640 5.240 1.00 0.00 H new ATOM 951 N LYS A 63 -0.860 9.138 6.345 1.00 0.00 N ATOM 952 CA LYS A 63 -1.662 8.051 6.893 1.00 0.00 C ATOM 953 C LYS A 63 -0.998 6.701 6.636 1.00 0.00 C ATOM 954 O LYS A 63 -0.336 6.509 5.616 1.00 0.00 O ATOM 955 CB LYS A 63 -3.065 8.066 6.283 1.00 0.00 C ATOM 956 CG LYS A 63 -4.059 8.910 7.063 1.00 0.00 C ATOM 957 CD LYS A 63 -3.793 10.395 6.881 1.00 0.00 C ATOM 958 CE LYS A 63 -4.991 11.231 7.305 1.00 0.00 C ATOM 959 NZ LYS A 63 -5.024 11.444 8.778 1.00 0.00 N ATOM 0 H LYS A 63 -1.105 9.402 5.391 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.740 8.198 7.970 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.004 8.443 5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.437 7.043 6.224 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.072 8.678 6.734 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.002 8.656 8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.920 10.684 7.467 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.557 10.598 5.836 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.958 12.196 6.799 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.909 10.736 6.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.855 12.018 9.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.081 10.524 9.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.159 11.939 9.077 1.00 0.00 H new ATOM 973 N HIS A 64 -1.182 5.770 7.566 1.00 0.00 N ATOM 974 CA HIS A 64 -0.603 4.437 7.438 1.00 0.00 C ATOM 975 C HIS A 64 -1.687 3.367 7.489 1.00 0.00 C ATOM 976 O HIS A 64 -2.206 3.045 8.559 1.00 0.00 O ATOM 977 CB HIS A 64 0.422 4.195 8.547 1.00 0.00 C ATOM 978 CG HIS A 64 1.527 5.206 8.572 1.00 0.00 C ATOM 979 ND1 HIS A 64 2.745 5.005 7.959 1.00 0.00 N ATOM 980 CD2 HIS A 64 1.591 6.432 9.141 1.00 0.00 C ATOM 981 CE1 HIS A 64 3.513 6.063 8.151 1.00 0.00 C ATOM 982 NE2 HIS A 64 2.836 6.944 8.865 1.00 0.00 N ATOM 0 H HIS A 64 -1.727 5.913 8.416 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.103 4.376 6.471 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.088 4.203 9.510 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.852 3.201 8.422 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.809 6.918 9.707 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.522 6.186 7.786 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.181 7.856 9.163 1.00 0.00 H new ATOM 991 N ILE A 65 -2.026 2.818 6.327 1.00 0.00 N ATOM 992 CA ILE A 65 -3.049 1.783 6.241 1.00 0.00 C ATOM 993 C ILE A 65 -2.421 0.399 6.113 1.00 0.00 C ATOM 994 O ILE A 65 -1.341 0.244 5.542 1.00 0.00 O ATOM 995 CB ILE A 65 -3.990 2.020 5.044 1.00 0.00 C ATOM 996 CG1 ILE A 65 -4.540 3.446 5.075 1.00 0.00 C ATOM 997 CG2 ILE A 65 -5.125 1.007 5.053 1.00 0.00 C ATOM 998 CD1 ILE A 65 -4.860 4.002 3.704 1.00 0.00 C ATOM 0 H ILE A 65 -1.607 3.073 5.432 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.628 1.833 7.163 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.422 1.890 4.123 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.443 3.465 5.685 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.813 4.096 5.561 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.781 1.188 4.201 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.714 -0.000 4.987 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.694 1.107 5.977 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.245 5.017 3.804 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.955 4.016 3.097 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.610 3.375 3.223 1.00 0.00 H new ATOM 1010 N LYS A 66 -3.106 -0.607 6.648 1.00 0.00 N ATOM 1011 CA LYS A 66 -2.618 -1.979 6.591 1.00 0.00 C ATOM 1012 C LYS A 66 -3.472 -2.822 5.648 1.00 0.00 C ATOM 1013 O LYS A 66 -4.675 -2.598 5.517 1.00 0.00 O ATOM 1014 CB LYS A 66 -2.620 -2.601 7.990 1.00 0.00 C ATOM 1015 CG LYS A 66 -4.009 -2.943 8.502 1.00 0.00 C ATOM 1016 CD LYS A 66 -4.605 -1.799 9.307 1.00 0.00 C ATOM 1017 CE LYS A 66 -6.124 -1.809 9.248 1.00 0.00 C ATOM 1018 NZ LYS A 66 -6.708 -2.818 10.175 1.00 0.00 N ATOM 0 H LYS A 66 -4.000 -0.497 7.126 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.597 -1.959 6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.014 -3.507 7.977 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.145 -1.910 8.686 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.661 -3.175 7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.959 -3.838 9.122 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.280 -1.874 10.345 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.231 -0.850 8.924 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.504 -0.819 9.502 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.447 -2.022 8.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.745 -2.794 10.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.366 -3.766 9.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.421 -2.600 11.151 1.00 0.00 H new ATOM 1032 N VAL A 67 -2.841 -3.793 4.996 1.00 0.00 N ATOM 1033 CA VAL A 67 -3.543 -4.671 4.067 1.00 0.00 C ATOM 1034 C VAL A 67 -3.704 -6.071 4.649 1.00 0.00 C ATOM 1035 O VAL A 67 -2.721 -6.748 4.946 1.00 0.00 O ATOM 1036 CB VAL A 67 -2.804 -4.769 2.719 1.00 0.00 C ATOM 1037 CG1 VAL A 67 -3.563 -5.672 1.758 1.00 0.00 C ATOM 1038 CG2 VAL A 67 -2.604 -3.386 2.119 1.00 0.00 C ATOM 0 H VAL A 67 -1.845 -3.992 5.094 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.528 -4.234 3.902 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.822 -5.209 2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.026 -5.729 0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.648 -6.670 2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.559 -5.265 1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.080 -3.475 1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.574 -2.916 1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.014 -2.775 2.802 1.00 0.00 H new ATOM 1048 N VAL A 68 -4.953 -6.499 4.810 1.00 0.00 N ATOM 1049 CA VAL A 68 -5.245 -7.819 5.355 1.00 0.00 C ATOM 1050 C VAL A 68 -5.208 -8.885 4.265 1.00 0.00 C ATOM 1051 O VAL A 68 -6.065 -8.912 3.383 1.00 0.00 O ATOM 1052 CB VAL A 68 -6.622 -7.851 6.043 1.00 0.00 C ATOM 1053 CG1 VAL A 68 -6.994 -9.274 6.428 1.00 0.00 C ATOM 1054 CG2 VAL A 68 -6.630 -6.941 7.262 1.00 0.00 C ATOM 0 H VAL A 68 -5.779 -5.950 4.570 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.473 -8.033 6.094 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.369 -7.484 5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.970 -9.276 6.913 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.032 -9.895 5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.247 -9.672 7.115 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.611 -6.976 7.736 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.873 -7.276 7.971 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.412 -5.918 6.954 1.00 0.00 H new ATOM 1064 N GLU A 69 -4.209 -9.760 4.334 1.00 0.00 N ATOM 1065 CA GLU A 69 -4.062 -10.828 3.351 1.00 0.00 C ATOM 1066 C GLU A 69 -4.406 -12.182 3.964 1.00 0.00 C ATOM 1067 O GLU A 69 -3.608 -12.766 4.699 1.00 0.00 O ATOM 1068 CB GLU A 69 -2.634 -10.852 2.803 1.00 0.00 C ATOM 1069 CG GLU A 69 -2.539 -11.369 1.378 1.00 0.00 C ATOM 1070 CD GLU A 69 -1.212 -12.045 1.090 1.00 0.00 C ATOM 1071 OE1 GLU A 69 -0.169 -11.361 1.168 1.00 0.00 O ATOM 1072 OE2 GLU A 69 -1.216 -13.256 0.787 1.00 0.00 O ATOM 0 H GLU A 69 -3.491 -9.751 5.058 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.755 -10.633 2.533 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.221 -9.844 2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.016 -11.476 3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.349 -12.075 1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.678 -10.540 0.684 1.00 0.00 H new ATOM 1079 N LYS A 70 -5.601 -12.676 3.659 1.00 0.00 N ATOM 1080 CA LYS A 70 -6.053 -13.963 4.178 1.00 0.00 C ATOM 1081 C LYS A 70 -6.970 -14.660 3.178 1.00 0.00 C ATOM 1082 O LYS A 70 -7.680 -14.007 2.412 1.00 0.00 O ATOM 1083 CB LYS A 70 -6.783 -13.771 5.509 1.00 0.00 C ATOM 1084 CG LYS A 70 -7.028 -15.067 6.261 1.00 0.00 C ATOM 1085 CD LYS A 70 -8.175 -14.931 7.247 1.00 0.00 C ATOM 1086 CE LYS A 70 -7.698 -14.385 8.584 1.00 0.00 C ATOM 1087 NZ LYS A 70 -6.994 -15.423 9.388 1.00 0.00 N ATOM 0 H LYS A 70 -6.275 -12.205 3.055 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.177 -14.591 4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.200 -13.099 6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.740 -13.283 5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.250 -15.864 5.551 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.122 -15.357 6.793 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.936 -14.269 6.833 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.645 -15.903 7.396 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.029 -13.542 8.414 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.551 -14.006 9.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.820 -15.060 10.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.583 -16.278 9.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.087 -15.656 8.936 1.00 0.00 H new ATOM 1101 N ASP A 71 -6.952 -15.988 3.193 1.00 0.00 N ATOM 1102 CA ASP A 71 -7.785 -16.774 2.290 1.00 0.00 C ATOM 1103 C ASP A 71 -7.499 -16.413 0.835 1.00 0.00 C ATOM 1104 O ASP A 71 -8.416 -16.282 0.026 1.00 0.00 O ATOM 1105 CB ASP A 71 -9.265 -16.550 2.601 1.00 0.00 C ATOM 1106 CG ASP A 71 -9.659 -17.097 3.960 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -8.995 -18.042 4.434 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -10.633 -16.581 4.547 1.00 0.00 O ATOM 0 H ASP A 71 -6.370 -16.543 3.820 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.546 -17.827 2.439 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.484 -15.483 2.564 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -9.872 -17.026 1.831 1.00 0.00 H new ATOM 1113 N ASN A 72 -6.220 -16.254 0.510 1.00 0.00 N ATOM 1114 CA ASN A 72 -5.813 -15.907 -0.847 1.00 0.00 C ATOM 1115 C ASN A 72 -6.534 -14.650 -1.326 1.00 0.00 C ATOM 1116 O ASN A 72 -6.802 -14.493 -2.517 1.00 0.00 O ATOM 1117 CB ASN A 72 -6.100 -17.068 -1.800 1.00 0.00 C ATOM 1118 CG ASN A 72 -5.017 -18.129 -1.762 1.00 0.00 C ATOM 1119 OD1 ASN A 72 -4.020 -17.988 -1.054 1.00 0.00 O ATOM 1120 ND2 ASN A 72 -5.209 -19.198 -2.525 1.00 0.00 N ATOM 0 H ASN A 72 -5.448 -16.360 1.168 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.741 -15.709 -0.839 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.057 -17.520 -1.539 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.194 -16.685 -2.816 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.515 -19.945 -2.540 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.051 -19.272 -3.096 1.00 0.00 H new ATOM 1127 N TRP A 73 -6.844 -13.761 -0.391 1.00 0.00 N ATOM 1128 CA TRP A 73 -7.534 -12.517 -0.718 1.00 0.00 C ATOM 1129 C TRP A 73 -6.780 -11.314 -0.162 1.00 0.00 C ATOM 1130 O TRP A 73 -6.037 -11.432 0.814 1.00 0.00 O ATOM 1131 CB TRP A 73 -8.960 -12.541 -0.165 1.00 0.00 C ATOM 1132 CG TRP A 73 -9.788 -13.666 -0.706 1.00 0.00 C ATOM 1133 CD1 TRP A 73 -10.486 -14.590 0.017 1.00 0.00 C ATOM 1134 CD2 TRP A 73 -10.002 -13.987 -2.085 1.00 0.00 C ATOM 1135 NE1 TRP A 73 -11.122 -15.467 -0.829 1.00 0.00 N ATOM 1136 CE2 TRP A 73 -10.842 -15.118 -2.124 1.00 0.00 C ATOM 1137 CE3 TRP A 73 -9.568 -13.429 -3.290 1.00 0.00 C ATOM 1138 CZ2 TRP A 73 -11.252 -15.698 -3.321 1.00 0.00 C ATOM 1139 CZ3 TRP A 73 -9.977 -14.006 -4.477 1.00 0.00 C ATOM 1140 CH2 TRP A 73 -10.812 -15.131 -4.485 1.00 0.00 C ATOM 0 H TRP A 73 -6.629 -13.877 0.599 1.00 0.00 H new ATOM 0 HA TRP A 73 -7.574 -12.427 -1.804 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -8.919 -12.619 0.921 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -9.448 -11.595 -0.398 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.532 -14.627 1.095 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -11.707 -16.251 -0.540 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.924 -12.562 -3.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -11.895 -16.566 -3.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.647 -13.583 -5.414 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.114 -15.559 -5.429 1.00 0.00 H new ATOM 1151 N ILE A 74 -6.974 -10.158 -0.789 1.00 0.00 N ATOM 1152 CA ILE A 74 -6.312 -8.934 -0.355 1.00 0.00 C ATOM 1153 C ILE A 74 -7.307 -7.784 -0.237 1.00 0.00 C ATOM 1154 O ILE A 74 -8.010 -7.457 -1.193 1.00 0.00 O ATOM 1155 CB ILE A 74 -5.187 -8.528 -1.325 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -3.922 -9.339 -1.042 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -4.904 -7.038 -1.214 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -3.029 -9.510 -2.252 1.00 0.00 C ATOM 0 H ILE A 74 -7.584 -10.044 -1.599 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.879 -9.139 0.624 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.511 -8.741 -2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.356 -8.849 -0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.207 -10.323 -0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.107 -6.767 -1.906 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.805 -6.477 -1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.597 -6.801 -0.195 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.151 -10.095 -1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.578 -10.027 -3.039 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.714 -8.531 -2.613 1.00 0.00 H new ATOM 1170 N HIS A 75 -7.359 -7.172 0.942 1.00 0.00 N ATOM 1171 CA HIS A 75 -8.265 -6.057 1.185 1.00 0.00 C ATOM 1172 C HIS A 75 -7.844 -5.273 2.425 1.00 0.00 C ATOM 1173 O HIS A 75 -6.861 -5.617 3.083 1.00 0.00 O ATOM 1174 CB HIS A 75 -9.699 -6.563 1.350 1.00 0.00 C ATOM 1175 CG HIS A 75 -9.802 -7.807 2.176 1.00 0.00 C ATOM 1176 ND1 HIS A 75 -9.634 -7.819 3.544 1.00 0.00 N ATOM 1177 CD2 HIS A 75 -10.061 -9.087 1.819 1.00 0.00 C ATOM 1178 CE1 HIS A 75 -9.783 -9.053 3.994 1.00 0.00 C ATOM 1179 NE2 HIS A 75 -10.043 -9.841 2.967 1.00 0.00 N ATOM 0 H HIS A 75 -6.784 -7.430 1.744 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.219 -5.391 0.323 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -10.301 -5.780 1.810 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.124 -6.754 0.365 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -10.247 -9.448 0.818 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -9.705 -9.364 5.025 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -10.204 -10.847 3.018 1.00 0.00 H new ATOM 1188 N ILE A 76 -8.592 -4.222 2.738 1.00 0.00 N ATOM 1189 CA ILE A 76 -8.296 -3.392 3.898 1.00 0.00 C ATOM 1190 C ILE A 76 -9.568 -3.045 4.666 1.00 0.00 C ATOM 1191 O ILE A 76 -10.638 -2.888 4.077 1.00 0.00 O ATOM 1192 CB ILE A 76 -7.584 -2.088 3.491 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -8.518 -1.211 2.654 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -6.309 -2.399 2.721 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -8.000 0.194 2.445 1.00 0.00 C ATOM 0 H ILE A 76 -9.409 -3.925 2.204 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.634 -3.973 4.540 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.315 -1.541 4.395 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.672 -1.681 1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.491 -1.162 3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.817 -1.468 2.440 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.640 -2.988 3.348 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.555 -2.964 1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.712 0.759 1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.873 0.682 3.411 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.040 0.155 1.929 1.00 0.00 H new ATOM 1207 N THR A 77 -9.443 -2.924 5.984 1.00 0.00 N ATOM 1208 CA THR A 77 -10.582 -2.595 6.832 1.00 0.00 C ATOM 1209 C THR A 77 -11.811 -3.407 6.440 1.00 0.00 C ATOM 1210 O THR A 77 -12.943 -2.987 6.680 1.00 0.00 O ATOM 1211 CB THR A 77 -10.923 -1.096 6.757 1.00 0.00 C ATOM 1212 OG1 THR A 77 -11.871 -0.758 7.775 1.00 0.00 O ATOM 1213 CG2 THR A 77 -11.489 -0.738 5.391 1.00 0.00 C ATOM 0 H THR A 77 -8.565 -3.049 6.487 1.00 0.00 H new ATOM 0 HA THR A 77 -10.298 -2.843 7.855 1.00 0.00 H new ATOM 0 HB THR A 77 -10.005 -0.529 6.913 1.00 0.00 H new ATOM 0 HG1 THR A 77 -12.593 -1.420 7.782 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.723 0.326 5.361 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.754 -0.970 4.620 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.397 -1.314 5.211 1.00 0.00 H new ATOM 1221 N GLU A 78 -11.581 -4.569 5.837 1.00 0.00 N ATOM 1222 CA GLU A 78 -12.673 -5.438 5.413 1.00 0.00 C ATOM 1223 C GLU A 78 -13.770 -4.633 4.720 1.00 0.00 C ATOM 1224 O GLU A 78 -14.950 -4.771 5.040 1.00 0.00 O ATOM 1225 CB GLU A 78 -13.255 -6.187 6.613 1.00 0.00 C ATOM 1226 CG GLU A 78 -12.418 -7.375 7.053 1.00 0.00 C ATOM 1227 CD GLU A 78 -12.988 -8.070 8.274 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -13.300 -7.372 9.261 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -13.119 -9.312 8.244 1.00 0.00 O ATOM 0 H GLU A 78 -10.650 -4.930 5.631 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.273 -6.162 4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.355 -5.495 7.449 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.258 -6.533 6.363 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.348 -8.089 6.233 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.404 -7.040 7.271 1.00 0.00 H new ATOM 1236 N ALA A 79 -13.370 -3.794 3.771 1.00 0.00 N ATOM 1237 CA ALA A 79 -14.318 -2.969 3.032 1.00 0.00 C ATOM 1238 C ALA A 79 -14.701 -3.624 1.709 1.00 0.00 C ATOM 1239 O ALA A 79 -15.878 -3.686 1.353 1.00 0.00 O ATOM 1240 CB ALA A 79 -13.736 -1.585 2.788 1.00 0.00 C ATOM 0 H ALA A 79 -12.396 -3.667 3.496 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.221 -2.870 3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.455 -0.980 2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.519 -1.108 3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.816 -1.674 2.210 1.00 0.00 H new ATOM 1246 N LYS A 80 -13.701 -4.111 0.984 1.00 0.00 N ATOM 1247 CA LYS A 80 -13.932 -4.762 -0.300 1.00 0.00 C ATOM 1248 C LYS A 80 -12.808 -5.743 -0.623 1.00 0.00 C ATOM 1249 O LYS A 80 -11.629 -5.425 -0.467 1.00 0.00 O ATOM 1250 CB LYS A 80 -14.045 -3.717 -1.412 1.00 0.00 C ATOM 1251 CG LYS A 80 -14.067 -4.314 -2.809 1.00 0.00 C ATOM 1252 CD LYS A 80 -15.484 -4.617 -3.264 1.00 0.00 C ATOM 1253 CE LYS A 80 -15.619 -4.513 -4.776 1.00 0.00 C ATOM 1254 NZ LYS A 80 -16.844 -5.198 -5.272 1.00 0.00 N ATOM 0 H LYS A 80 -12.721 -4.067 1.264 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.868 -5.317 -0.234 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.954 -3.135 -1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.206 -3.025 -1.335 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.600 -3.621 -3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.476 -5.230 -2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.764 -5.620 -2.941 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -16.176 -3.923 -2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.647 -3.463 -5.067 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.741 -4.951 -5.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -16.899 -5.104 -6.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.806 -6.206 -5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.684 -4.763 -4.840 1.00 0.00 H new ATOM 1268 N LYS A 81 -13.183 -6.935 -1.074 1.00 0.00 N ATOM 1269 CA LYS A 81 -12.208 -7.963 -1.421 1.00 0.00 C ATOM 1270 C LYS A 81 -11.754 -7.814 -2.870 1.00 0.00 C ATOM 1271 O LYS A 81 -12.563 -7.554 -3.761 1.00 0.00 O ATOM 1272 CB LYS A 81 -12.803 -9.355 -1.202 1.00 0.00 C ATOM 1273 CG LYS A 81 -14.260 -9.465 -1.616 1.00 0.00 C ATOM 1274 CD LYS A 81 -15.194 -9.138 -0.463 1.00 0.00 C ATOM 1275 CE LYS A 81 -16.550 -8.666 -0.961 1.00 0.00 C ATOM 1276 NZ LYS A 81 -17.412 -8.176 0.151 1.00 0.00 N ATOM 0 H LYS A 81 -14.155 -7.213 -1.208 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.341 -7.840 -0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.218 -10.083 -1.764 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.712 -9.618 -0.148 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.455 -8.787 -2.447 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.462 -10.474 -1.974 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.323 -10.020 0.164 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.746 -8.366 0.162 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.411 -7.868 -1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -17.053 -9.485 -1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -18.327 -7.863 -0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.566 -8.944 0.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.945 -7.378 0.627 1.00 0.00 H new ATOM 1290 N PHE A 82 -10.456 -7.983 -3.100 1.00 0.00 N ATOM 1291 CA PHE A 82 -9.895 -7.869 -4.440 1.00 0.00 C ATOM 1292 C PHE A 82 -9.067 -9.101 -4.791 1.00 0.00 C ATOM 1293 O PHE A 82 -8.502 -9.753 -3.912 1.00 0.00 O ATOM 1294 CB PHE A 82 -9.030 -6.612 -4.548 1.00 0.00 C ATOM 1295 CG PHE A 82 -9.822 -5.335 -4.529 1.00 0.00 C ATOM 1296 CD1 PHE A 82 -10.500 -4.908 -5.659 1.00 0.00 C ATOM 1297 CD2 PHE A 82 -9.888 -4.563 -3.382 1.00 0.00 C ATOM 1298 CE1 PHE A 82 -11.228 -3.734 -5.644 1.00 0.00 C ATOM 1299 CE2 PHE A 82 -10.615 -3.387 -3.360 1.00 0.00 C ATOM 1300 CZ PHE A 82 -11.287 -2.973 -4.493 1.00 0.00 C ATOM 0 H PHE A 82 -9.773 -8.200 -2.374 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.721 -7.796 -5.147 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.317 -6.600 -3.724 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.451 -6.657 -5.470 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.459 -5.499 -6.562 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.365 -4.883 -2.493 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.751 -3.411 -6.532 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.657 -2.794 -2.459 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.858 -2.056 -4.479 1.00 0.00 H new ATOM 1310 N ASP A 83 -9.001 -9.414 -6.080 1.00 0.00 N ATOM 1311 CA ASP A 83 -8.242 -10.569 -6.548 1.00 0.00 C ATOM 1312 C ASP A 83 -6.775 -10.455 -6.146 1.00 0.00 C ATOM 1313 O ASP A 83 -6.069 -11.457 -6.045 1.00 0.00 O ATOM 1314 CB ASP A 83 -8.359 -10.700 -8.067 1.00 0.00 C ATOM 1315 CG ASP A 83 -9.634 -11.402 -8.492 1.00 0.00 C ATOM 1316 OD1 ASP A 83 -9.792 -12.595 -8.163 1.00 0.00 O ATOM 1317 OD2 ASP A 83 -10.474 -10.756 -9.154 1.00 0.00 O ATOM 0 H ASP A 83 -9.463 -8.885 -6.820 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.659 -11.461 -6.081 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.326 -9.708 -8.518 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.500 -11.252 -8.448 1.00 0.00 H new ATOM 1322 N SER A 84 -6.324 -9.225 -5.918 1.00 0.00 N ATOM 1323 CA SER A 84 -4.939 -8.978 -5.531 1.00 0.00 C ATOM 1324 C SER A 84 -4.734 -7.516 -5.149 1.00 0.00 C ATOM 1325 O SER A 84 -5.663 -6.709 -5.213 1.00 0.00 O ATOM 1326 CB SER A 84 -3.994 -9.356 -6.674 1.00 0.00 C ATOM 1327 OG SER A 84 -3.827 -10.761 -6.754 1.00 0.00 O ATOM 0 H SER A 84 -6.897 -8.385 -5.994 1.00 0.00 H new ATOM 0 HA SER A 84 -4.714 -9.597 -4.662 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.390 -8.979 -7.617 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.026 -8.880 -6.522 1.00 0.00 H new ATOM 0 HG SER A 84 -4.469 -11.201 -6.159 1.00 0.00 H new ATOM 1333 N LEU A 85 -3.511 -7.180 -4.753 1.00 0.00 N ATOM 1334 CA LEU A 85 -3.183 -5.815 -4.360 1.00 0.00 C ATOM 1335 C LEU A 85 -3.369 -4.852 -5.528 1.00 0.00 C ATOM 1336 O LEU A 85 -4.037 -3.825 -5.399 1.00 0.00 O ATOM 1337 CB LEU A 85 -1.742 -5.743 -3.850 1.00 0.00 C ATOM 1338 CG LEU A 85 -1.229 -4.351 -3.480 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -2.007 -3.792 -2.300 1.00 0.00 C ATOM 1340 CD2 LEU A 85 0.259 -4.396 -3.166 1.00 0.00 C ATOM 0 H LEU A 85 -2.731 -7.834 -4.696 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.861 -5.521 -3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.656 -6.385 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.086 -6.158 -4.615 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.380 -3.691 -4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.628 -2.801 -2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.063 -3.722 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.889 -4.452 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.606 -3.396 -2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.434 -5.071 -2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.805 -4.753 -4.040 1.00 0.00 H new ATOM 1352 N LEU A 86 -2.776 -5.191 -6.668 1.00 0.00 N ATOM 1353 CA LEU A 86 -2.879 -4.358 -7.860 1.00 0.00 C ATOM 1354 C LEU A 86 -4.298 -3.826 -8.033 1.00 0.00 C ATOM 1355 O LEU A 86 -4.504 -2.628 -8.227 1.00 0.00 O ATOM 1356 CB LEU A 86 -2.466 -5.154 -9.099 1.00 0.00 C ATOM 1357 CG LEU A 86 -2.257 -4.342 -10.379 1.00 0.00 C ATOM 1358 CD1 LEU A 86 -1.202 -3.268 -10.164 1.00 0.00 C ATOM 1359 CD2 LEU A 86 -1.863 -5.256 -11.531 1.00 0.00 C ATOM 0 H LEU A 86 -2.219 -6.037 -6.791 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.206 -3.509 -7.739 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.541 -5.685 -8.874 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.228 -5.909 -9.292 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.197 -3.853 -10.634 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.067 -2.701 -11.085 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.524 -2.596 -9.368 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.258 -3.736 -9.885 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.718 -4.662 -12.434 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.936 -5.773 -11.284 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.653 -5.988 -11.701 1.00 0.00 H new ATOM 1371 N GLU A 87 -5.275 -4.726 -7.960 1.00 0.00 N ATOM 1372 CA GLU A 87 -6.674 -4.346 -8.106 1.00 0.00 C ATOM 1373 C GLU A 87 -7.063 -3.290 -7.075 1.00 0.00 C ATOM 1374 O GLU A 87 -7.702 -2.290 -7.406 1.00 0.00 O ATOM 1375 CB GLU A 87 -7.578 -5.573 -7.961 1.00 0.00 C ATOM 1376 CG GLU A 87 -7.820 -6.310 -9.268 1.00 0.00 C ATOM 1377 CD GLU A 87 -8.803 -7.455 -9.118 1.00 0.00 C ATOM 1378 OE1 GLU A 87 -9.455 -7.543 -8.057 1.00 0.00 O ATOM 1379 OE2 GLU A 87 -8.920 -8.262 -10.064 1.00 0.00 O ATOM 0 H GLU A 87 -5.122 -5.722 -7.801 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.805 -3.922 -9.102 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.130 -6.261 -7.244 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.537 -5.260 -7.547 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.196 -5.608 -10.012 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.873 -6.696 -9.644 1.00 0.00 H new ATOM 1386 N LEU A 88 -6.674 -3.520 -5.827 1.00 0.00 N ATOM 1387 CA LEU A 88 -6.981 -2.590 -4.746 1.00 0.00 C ATOM 1388 C LEU A 88 -6.437 -1.198 -5.054 1.00 0.00 C ATOM 1389 O LEU A 88 -7.170 -0.210 -5.010 1.00 0.00 O ATOM 1390 CB LEU A 88 -6.397 -3.098 -3.428 1.00 0.00 C ATOM 1391 CG LEU A 88 -6.520 -2.153 -2.230 1.00 0.00 C ATOM 1392 CD1 LEU A 88 -6.266 -2.902 -0.932 1.00 0.00 C ATOM 1393 CD2 LEU A 88 -5.554 -0.986 -2.372 1.00 0.00 C ATOM 0 H LEU A 88 -6.145 -4.343 -5.538 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.065 -2.524 -4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.887 -4.038 -3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.341 -3.320 -3.583 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.536 -1.758 -2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.358 -2.214 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.996 -3.704 -0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.262 -3.325 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.654 -0.324 -1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.533 -1.363 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.782 -0.434 -3.284 1.00 0.00 H new ATOM 1405 N VAL A 89 -5.147 -1.129 -5.368 1.00 0.00 N ATOM 1406 CA VAL A 89 -4.505 0.140 -5.688 1.00 0.00 C ATOM 1407 C VAL A 89 -5.205 0.833 -6.852 1.00 0.00 C ATOM 1408 O VAL A 89 -5.533 2.017 -6.775 1.00 0.00 O ATOM 1409 CB VAL A 89 -3.018 -0.056 -6.040 1.00 0.00 C ATOM 1410 CG1 VAL A 89 -2.325 1.289 -6.197 1.00 0.00 C ATOM 1411 CG2 VAL A 89 -2.327 -0.902 -4.981 1.00 0.00 C ATOM 0 H VAL A 89 -4.526 -1.937 -5.408 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.581 0.766 -4.799 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.954 -0.584 -6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.276 1.131 -6.445 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.806 1.855 -6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.397 1.846 -5.263 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.277 -1.030 -5.246 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.399 -0.405 -4.014 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.809 -1.878 -4.924 1.00 0.00 H new ATOM 1421 N GLU A 90 -5.431 0.087 -7.928 1.00 0.00 N ATOM 1422 CA GLU A 90 -6.093 0.630 -9.108 1.00 0.00 C ATOM 1423 C GLU A 90 -7.494 1.128 -8.766 1.00 0.00 C ATOM 1424 O GLU A 90 -8.044 1.988 -9.454 1.00 0.00 O ATOM 1425 CB GLU A 90 -6.170 -0.429 -10.210 1.00 0.00 C ATOM 1426 CG GLU A 90 -4.813 -0.844 -10.753 1.00 0.00 C ATOM 1427 CD GLU A 90 -4.326 0.066 -11.863 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -4.012 1.240 -11.573 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -4.259 -0.395 -13.022 1.00 0.00 O ATOM 0 H GLU A 90 -5.166 -0.895 -8.007 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.504 1.474 -9.467 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.681 -1.310 -9.820 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.777 -0.045 -11.029 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.085 -0.843 -9.942 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.872 -1.866 -11.126 1.00 0.00 H new ATOM 1436 N TYR A 91 -8.066 0.581 -7.699 1.00 0.00 N ATOM 1437 CA TYR A 91 -9.403 0.966 -7.267 1.00 0.00 C ATOM 1438 C TYR A 91 -9.409 2.389 -6.716 1.00 0.00 C ATOM 1439 O TYR A 91 -10.193 3.232 -7.151 1.00 0.00 O ATOM 1440 CB TYR A 91 -9.919 -0.006 -6.205 1.00 0.00 C ATOM 1441 CG TYR A 91 -11.418 0.039 -6.018 1.00 0.00 C ATOM 1442 CD1 TYR A 91 -12.274 -0.474 -6.984 1.00 0.00 C ATOM 1443 CD2 TYR A 91 -11.980 0.598 -4.877 1.00 0.00 C ATOM 1444 CE1 TYR A 91 -13.646 -0.435 -6.819 1.00 0.00 C ATOM 1445 CE2 TYR A 91 -13.349 0.642 -4.701 1.00 0.00 C ATOM 1446 CZ TYR A 91 -14.178 0.125 -5.675 1.00 0.00 C ATOM 1447 OH TYR A 91 -15.543 0.167 -5.505 1.00 0.00 O ATOM 0 H TYR A 91 -7.624 -0.131 -7.118 1.00 0.00 H new ATOM 0 HA TYR A 91 -10.062 0.929 -8.135 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.626 -1.019 -6.480 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.436 0.219 -5.254 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.860 -0.911 -7.881 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -11.334 1.006 -4.113 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -14.297 -0.840 -7.580 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -13.768 1.078 -3.806 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.753 0.592 -4.647 1.00 0.00 H new ATOM 1457 N TYR A 92 -8.530 2.647 -5.754 1.00 0.00 N ATOM 1458 CA TYR A 92 -8.433 3.966 -5.141 1.00 0.00 C ATOM 1459 C TYR A 92 -7.793 4.966 -6.098 1.00 0.00 C ATOM 1460 O TYR A 92 -8.025 6.171 -6.000 1.00 0.00 O ATOM 1461 CB TYR A 92 -7.622 3.891 -3.846 1.00 0.00 C ATOM 1462 CG TYR A 92 -8.280 3.061 -2.767 1.00 0.00 C ATOM 1463 CD1 TYR A 92 -9.648 3.140 -2.539 1.00 0.00 C ATOM 1464 CD2 TYR A 92 -7.533 2.198 -1.974 1.00 0.00 C ATOM 1465 CE1 TYR A 92 -10.253 2.385 -1.553 1.00 0.00 C ATOM 1466 CE2 TYR A 92 -8.129 1.437 -0.988 1.00 0.00 C ATOM 1467 CZ TYR A 92 -9.490 1.535 -0.780 1.00 0.00 C ATOM 1468 OH TYR A 92 -10.089 0.778 0.201 1.00 0.00 O ATOM 0 H TYR A 92 -7.874 1.960 -5.382 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.442 4.307 -4.911 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.640 3.473 -4.066 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.461 4.901 -3.469 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.249 3.803 -3.143 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.467 2.121 -2.132 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.318 2.460 -1.388 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.534 0.769 -0.383 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.812 -0.157 0.107 1.00 0.00 H new ATOM 1478 N GLN A 93 -6.985 4.456 -7.022 1.00 0.00 N ATOM 1479 CA GLN A 93 -6.311 5.305 -7.998 1.00 0.00 C ATOM 1480 C GLN A 93 -7.296 6.258 -8.665 1.00 0.00 C ATOM 1481 O GLN A 93 -6.912 7.318 -9.159 1.00 0.00 O ATOM 1482 CB GLN A 93 -5.616 4.448 -9.058 1.00 0.00 C ATOM 1483 CG GLN A 93 -4.186 4.079 -8.700 1.00 0.00 C ATOM 1484 CD GLN A 93 -3.318 3.857 -9.923 1.00 0.00 C ATOM 1485 OE1 GLN A 93 -3.552 4.443 -10.980 1.00 0.00 O ATOM 1486 NE2 GLN A 93 -2.307 3.006 -9.785 1.00 0.00 N ATOM 0 H GLN A 93 -6.781 3.461 -7.115 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.563 5.896 -7.470 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.191 3.535 -9.209 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.617 4.986 -10.006 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.752 4.871 -8.090 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.189 3.174 -8.092 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.149 2.542 -8.890 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.688 2.817 -10.574 1.00 0.00 H new ATOM 1495 N CYS A 94 -8.568 5.874 -8.674 1.00 0.00 N ATOM 1496 CA CYS A 94 -9.610 6.695 -9.282 1.00 0.00 C ATOM 1497 C CYS A 94 -10.699 7.030 -8.268 1.00 0.00 C ATOM 1498 O CYS A 94 -11.309 8.098 -8.326 1.00 0.00 O ATOM 1499 CB CYS A 94 -10.220 5.974 -10.484 1.00 0.00 C ATOM 1500 SG CYS A 94 -9.019 5.505 -11.751 1.00 0.00 S ATOM 0 H CYS A 94 -8.903 5.000 -8.268 1.00 0.00 H new ATOM 0 HA CYS A 94 -9.154 7.626 -9.619 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -10.732 5.078 -10.135 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -10.975 6.617 -10.935 1.00 0.00 H new ATOM 0 HG CYS A 94 -9.630 4.899 -12.725 1.00 0.00 H new ATOM 1506 N HIS A 95 -10.939 6.109 -7.339 1.00 0.00 N ATOM 1507 CA HIS A 95 -11.955 6.306 -6.312 1.00 0.00 C ATOM 1508 C HIS A 95 -11.329 6.821 -5.019 1.00 0.00 C ATOM 1509 O HIS A 95 -10.348 6.262 -4.529 1.00 0.00 O ATOM 1510 CB HIS A 95 -12.701 4.998 -6.046 1.00 0.00 C ATOM 1511 CG HIS A 95 -12.790 4.105 -7.245 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -12.645 2.736 -7.176 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -13.014 4.392 -8.549 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -12.773 2.220 -8.385 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -12.998 3.205 -9.237 1.00 0.00 N ATOM 0 H HIS A 95 -10.444 5.220 -7.277 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.662 7.052 -6.674 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -12.201 4.461 -5.240 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -13.708 5.228 -5.699 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -12.467 2.204 -6.324 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -13.175 5.373 -8.970 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -12.705 1.171 -8.635 1.00 0.00 H new ATOM 1524 N SER A 96 -11.902 7.888 -4.473 1.00 0.00 N ATOM 1525 CA SER A 96 -11.398 8.480 -3.240 1.00 0.00 C ATOM 1526 C SER A 96 -11.307 7.434 -2.133 1.00 0.00 C ATOM 1527 O SER A 96 -11.959 6.391 -2.193 1.00 0.00 O ATOM 1528 CB SER A 96 -12.301 9.633 -2.796 1.00 0.00 C ATOM 1529 OG SER A 96 -11.567 10.606 -2.074 1.00 0.00 O ATOM 0 H SER A 96 -12.716 8.361 -4.865 1.00 0.00 H new ATOM 0 HA SER A 96 -10.397 8.866 -3.434 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.762 10.095 -3.669 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.109 9.248 -2.175 1.00 0.00 H new ATOM 0 HG SER A 96 -12.119 11.406 -1.949 1.00 0.00 H new ATOM 1535 N LEU A 97 -10.495 7.722 -1.121 1.00 0.00 N ATOM 1536 CA LEU A 97 -10.318 6.808 0.001 1.00 0.00 C ATOM 1537 C LEU A 97 -11.285 7.141 1.133 1.00 0.00 C ATOM 1538 O LEU A 97 -11.215 6.559 2.215 1.00 0.00 O ATOM 1539 CB LEU A 97 -8.877 6.869 0.512 1.00 0.00 C ATOM 1540 CG LEU A 97 -7.878 5.947 -0.188 1.00 0.00 C ATOM 1541 CD1 LEU A 97 -6.468 6.505 -0.076 1.00 0.00 C ATOM 1542 CD2 LEU A 97 -7.945 4.544 0.399 1.00 0.00 C ATOM 0 H LEU A 97 -9.949 8.581 -1.055 1.00 0.00 H new ATOM 0 HA LEU A 97 -10.531 5.798 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.522 7.895 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -8.879 6.629 1.575 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.143 5.891 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.771 5.836 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.428 7.489 -0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.193 6.591 0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.227 3.901 -0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.706 4.582 1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.950 4.142 0.267 1.00 0.00 H new ATOM 1554 N LYS A 98 -12.188 8.080 0.874 1.00 0.00 N ATOM 1555 CA LYS A 98 -13.173 8.490 1.870 1.00 0.00 C ATOM 1556 C LYS A 98 -14.055 7.315 2.278 1.00 0.00 C ATOM 1557 O LYS A 98 -14.509 7.235 3.418 1.00 0.00 O ATOM 1558 CB LYS A 98 -14.040 9.626 1.321 1.00 0.00 C ATOM 1559 CG LYS A 98 -15.255 9.145 0.549 1.00 0.00 C ATOM 1560 CD LYS A 98 -15.914 10.280 -0.217 1.00 0.00 C ATOM 1561 CE LYS A 98 -17.304 9.893 -0.699 1.00 0.00 C ATOM 1562 NZ LYS A 98 -17.946 10.990 -1.476 1.00 0.00 N ATOM 0 H LYS A 98 -12.259 8.572 -0.017 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.637 8.843 2.751 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.371 10.252 2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.432 10.254 0.670 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.958 8.360 -0.146 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.975 8.704 1.239 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.981 11.161 0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.294 10.552 -1.071 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -17.238 8.999 -1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -17.929 9.641 0.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -18.891 10.688 -1.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -18.032 11.835 -0.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -17.363 11.213 -2.308 1.00 0.00 H new ATOM 1576 N GLU A 99 -14.292 6.404 1.338 1.00 0.00 N ATOM 1577 CA GLU A 99 -15.120 5.233 1.603 1.00 0.00 C ATOM 1578 C GLU A 99 -14.638 4.496 2.849 1.00 0.00 C ATOM 1579 O GLU A 99 -15.425 4.184 3.742 1.00 0.00 O ATOM 1580 CB GLU A 99 -15.103 4.287 0.399 1.00 0.00 C ATOM 1581 CG GLU A 99 -15.546 4.945 -0.897 1.00 0.00 C ATOM 1582 CD GLU A 99 -17.013 5.329 -0.885 1.00 0.00 C ATOM 1583 OE1 GLU A 99 -17.364 6.306 -0.192 1.00 0.00 O ATOM 1584 OE2 GLU A 99 -17.809 4.652 -1.569 1.00 0.00 O ATOM 0 H GLU A 99 -13.923 6.455 0.388 1.00 0.00 H new ATOM 0 HA GLU A 99 -16.141 5.573 1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -14.095 3.893 0.271 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -15.753 3.437 0.606 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -14.943 5.836 -1.073 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -15.359 4.265 -1.728 1.00 0.00 H new ATOM 1591 N SER A 100 -13.338 4.220 2.901 1.00 0.00 N ATOM 1592 CA SER A 100 -12.751 3.516 4.035 1.00 0.00 C ATOM 1593 C SER A 100 -12.470 4.477 5.185 1.00 0.00 C ATOM 1594 O SER A 100 -12.794 4.195 6.339 1.00 0.00 O ATOM 1595 CB SER A 100 -11.457 2.817 3.612 1.00 0.00 C ATOM 1596 OG SER A 100 -10.555 2.712 4.701 1.00 0.00 O ATOM 0 H SER A 100 -12.672 4.473 2.171 1.00 0.00 H new ATOM 0 HA SER A 100 -13.466 2.768 4.377 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.686 1.823 3.228 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.988 3.373 2.800 1.00 0.00 H new ATOM 0 HG SER A 100 -9.767 3.269 4.528 1.00 0.00 H new ATOM 1602 N PHE A 101 -11.865 5.617 4.863 1.00 0.00 N ATOM 1603 CA PHE A 101 -11.540 6.621 5.868 1.00 0.00 C ATOM 1604 C PHE A 101 -12.121 7.980 5.488 1.00 0.00 C ATOM 1605 O PHE A 101 -11.560 8.699 4.662 1.00 0.00 O ATOM 1606 CB PHE A 101 -10.023 6.732 6.036 1.00 0.00 C ATOM 1607 CG PHE A 101 -9.344 5.408 6.244 1.00 0.00 C ATOM 1608 CD1 PHE A 101 -9.304 4.825 7.500 1.00 0.00 C ATOM 1609 CD2 PHE A 101 -8.747 4.746 5.184 1.00 0.00 C ATOM 1610 CE1 PHE A 101 -8.680 3.608 7.695 1.00 0.00 C ATOM 1611 CE2 PHE A 101 -8.122 3.528 5.371 1.00 0.00 C ATOM 1612 CZ PHE A 101 -8.089 2.957 6.629 1.00 0.00 C ATOM 0 H PHE A 101 -11.590 5.867 3.913 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.982 6.308 6.814 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -9.602 7.212 5.153 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -9.806 7.380 6.885 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.766 5.328 8.337 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.770 5.187 4.199 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -8.654 3.166 8.680 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.660 3.023 4.535 1.00 0.00 H new ATOM 0 HZ PHE A 101 -7.603 2.004 6.779 1.00 0.00 H new ATOM 1622 N LYS A 102 -13.250 8.324 6.097 1.00 0.00 N ATOM 1623 CA LYS A 102 -13.910 9.595 5.826 1.00 0.00 C ATOM 1624 C LYS A 102 -12.933 10.757 5.972 1.00 0.00 C ATOM 1625 O LYS A 102 -13.086 11.792 5.324 1.00 0.00 O ATOM 1626 CB LYS A 102 -15.096 9.791 6.773 1.00 0.00 C ATOM 1627 CG LYS A 102 -14.709 9.790 8.241 1.00 0.00 C ATOM 1628 CD LYS A 102 -15.882 10.175 9.128 1.00 0.00 C ATOM 1629 CE LYS A 102 -16.777 8.979 9.418 1.00 0.00 C ATOM 1630 NZ LYS A 102 -17.810 9.297 10.444 1.00 0.00 N ATOM 0 H LYS A 102 -13.728 7.739 6.783 1.00 0.00 H new ATOM 0 HA LYS A 102 -14.273 9.575 4.799 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -15.587 10.735 6.536 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -15.825 9.000 6.598 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -14.348 8.801 8.522 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.886 10.487 8.402 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -15.510 10.589 10.065 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -16.465 10.958 8.643 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -17.265 8.659 8.498 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -16.167 8.144 9.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -18.400 8.458 10.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -17.344 9.578 11.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -18.408 10.077 10.104 1.00 0.00 H new ATOM 1644 N GLN A 103 -11.930 10.577 6.825 1.00 0.00 N ATOM 1645 CA GLN A 103 -10.927 11.611 7.053 1.00 0.00 C ATOM 1646 C GLN A 103 -9.970 11.713 5.870 1.00 0.00 C ATOM 1647 O GLN A 103 -9.380 12.766 5.624 1.00 0.00 O ATOM 1648 CB GLN A 103 -10.144 11.317 8.334 1.00 0.00 C ATOM 1649 CG GLN A 103 -10.971 11.467 9.601 1.00 0.00 C ATOM 1650 CD GLN A 103 -10.134 11.369 10.860 1.00 0.00 C ATOM 1651 OE1 GLN A 103 -8.937 11.083 10.803 1.00 0.00 O ATOM 1652 NE2 GLN A 103 -10.758 11.605 12.008 1.00 0.00 N ATOM 0 H GLN A 103 -11.790 9.726 7.369 1.00 0.00 H new ATOM 0 HA GLN A 103 -11.443 12.565 7.161 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -9.751 10.301 8.285 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -9.287 11.988 8.388 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -11.483 12.429 9.584 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -11.741 10.696 9.621 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -11.751 11.839 12.010 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -10.244 11.553 12.888 1.00 0.00 H new ATOM 1661 N LEU A 104 -9.820 10.613 5.140 1.00 0.00 N ATOM 1662 CA LEU A 104 -8.934 10.579 3.982 1.00 0.00 C ATOM 1663 C LEU A 104 -9.735 10.581 2.684 1.00 0.00 C ATOM 1664 O LEU A 104 -10.121 9.526 2.179 1.00 0.00 O ATOM 1665 CB LEU A 104 -8.037 9.342 4.039 1.00 0.00 C ATOM 1666 CG LEU A 104 -6.700 9.448 3.304 1.00 0.00 C ATOM 1667 CD1 LEU A 104 -5.640 10.057 4.209 1.00 0.00 C ATOM 1668 CD2 LEU A 104 -6.255 8.081 2.805 1.00 0.00 C ATOM 0 H LEU A 104 -10.300 9.733 5.330 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.311 11.473 4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.836 9.111 5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.590 8.498 3.627 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.833 10.102 2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.696 10.124 3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.954 11.054 4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.510 9.429 5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.302 8.176 2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.140 7.404 3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.004 7.682 2.121 1.00 0.00 H new ATOM 1680 N ASP A 105 -9.977 11.772 2.147 1.00 0.00 N ATOM 1681 CA ASP A 105 -10.729 11.911 0.905 1.00 0.00 C ATOM 1682 C ASP A 105 -9.812 12.322 -0.242 1.00 0.00 C ATOM 1683 O ASP A 105 -9.748 13.496 -0.611 1.00 0.00 O ATOM 1684 CB ASP A 105 -11.848 12.940 1.074 1.00 0.00 C ATOM 1685 CG ASP A 105 -13.034 12.659 0.172 1.00 0.00 C ATOM 1686 OD1 ASP A 105 -12.864 12.714 -1.064 1.00 0.00 O ATOM 1687 OD2 ASP A 105 -14.131 12.385 0.702 1.00 0.00 O ATOM 0 H ASP A 105 -9.664 12.654 2.552 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.169 10.943 0.665 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.179 12.946 2.113 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -11.459 13.935 0.858 1.00 0.00 H new ATOM 1692 N THR A 106 -9.100 11.349 -0.802 1.00 0.00 N ATOM 1693 CA THR A 106 -8.185 11.610 -1.906 1.00 0.00 C ATOM 1694 C THR A 106 -7.985 10.364 -2.761 1.00 0.00 C ATOM 1695 O THR A 106 -8.457 9.279 -2.418 1.00 0.00 O ATOM 1696 CB THR A 106 -6.813 12.093 -1.396 1.00 0.00 C ATOM 1697 OG1 THR A 106 -6.069 12.678 -2.470 1.00 0.00 O ATOM 1698 CG2 THR A 106 -6.024 10.941 -0.793 1.00 0.00 C ATOM 0 H THR A 106 -9.140 10.373 -0.509 1.00 0.00 H new ATOM 0 HA THR A 106 -8.637 12.395 -2.512 1.00 0.00 H new ATOM 0 HB THR A 106 -6.981 12.842 -0.622 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.199 12.984 -2.137 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.059 11.306 -0.440 1.00 0.00 H new ATOM 0 HG22 THR A 106 -6.580 10.518 0.043 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.866 10.173 -1.550 1.00 0.00 H new ATOM 1706 N THR A 107 -7.283 10.525 -3.878 1.00 0.00 N ATOM 1707 CA THR A 107 -7.022 9.413 -4.784 1.00 0.00 C ATOM 1708 C THR A 107 -5.564 9.400 -5.232 1.00 0.00 C ATOM 1709 O THR A 107 -5.024 10.422 -5.653 1.00 0.00 O ATOM 1710 CB THR A 107 -7.928 9.477 -6.029 1.00 0.00 C ATOM 1711 OG1 THR A 107 -7.729 10.717 -6.717 1.00 0.00 O ATOM 1712 CG2 THR A 107 -9.392 9.337 -5.640 1.00 0.00 C ATOM 0 H THR A 107 -6.885 11.415 -4.177 1.00 0.00 H new ATOM 0 HA THR A 107 -7.239 8.498 -4.232 1.00 0.00 H new ATOM 0 HB THR A 107 -7.662 8.650 -6.687 1.00 0.00 H new ATOM 0 HG1 THR A 107 -6.841 11.071 -6.503 1.00 0.00 H new ATOM 0 HG21 THR A 107 -10.012 9.385 -6.535 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.546 8.380 -5.143 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.668 10.146 -4.963 1.00 0.00 H new ATOM 1720 N LEU A 108 -4.933 8.234 -5.138 1.00 0.00 N ATOM 1721 CA LEU A 108 -3.537 8.086 -5.534 1.00 0.00 C ATOM 1722 C LEU A 108 -3.211 8.980 -6.726 1.00 0.00 C ATOM 1723 O LEU A 108 -3.618 8.702 -7.855 1.00 0.00 O ATOM 1724 CB LEU A 108 -3.236 6.627 -5.879 1.00 0.00 C ATOM 1725 CG LEU A 108 -3.832 5.578 -4.940 1.00 0.00 C ATOM 1726 CD1 LEU A 108 -3.307 4.193 -5.285 1.00 0.00 C ATOM 1727 CD2 LEU A 108 -3.520 5.922 -3.491 1.00 0.00 C ATOM 0 H LEU A 108 -5.366 7.378 -4.791 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.913 8.390 -4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.599 6.431 -6.888 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.154 6.495 -5.899 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.914 5.576 -5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.742 3.459 -4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.580 3.945 -6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.222 4.180 -5.186 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.952 5.165 -2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.440 5.952 -3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.945 6.896 -3.249 1.00 0.00 H new ATOM 1739 N LYS A 109 -2.474 10.055 -6.468 1.00 0.00 N ATOM 1740 CA LYS A 109 -2.090 10.990 -7.520 1.00 0.00 C ATOM 1741 C LYS A 109 -0.677 10.702 -8.014 1.00 0.00 C ATOM 1742 O LYS A 109 -0.489 10.150 -9.099 1.00 0.00 O ATOM 1743 CB LYS A 109 -2.179 12.430 -7.008 1.00 0.00 C ATOM 1744 CG LYS A 109 -3.542 13.067 -7.218 1.00 0.00 C ATOM 1745 CD LYS A 109 -3.636 14.420 -6.533 1.00 0.00 C ATOM 1746 CE LYS A 109 -5.083 14.854 -6.352 1.00 0.00 C ATOM 1747 NZ LYS A 109 -5.192 16.307 -6.050 1.00 0.00 N ATOM 0 H LYS A 109 -2.130 10.301 -5.540 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.780 10.864 -8.354 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.941 12.444 -5.944 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.424 13.033 -7.512 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -3.729 13.185 -8.285 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.317 12.407 -6.829 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -3.145 14.372 -5.561 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.103 15.165 -7.123 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -5.646 14.628 -7.258 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -5.536 14.280 -5.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -6.193 16.563 -5.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.676 16.519 -5.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.783 16.856 -6.833 1.00 0.00 H new ATOM 1761 N TYR A 110 0.314 11.076 -7.212 1.00 0.00 N ATOM 1762 CA TYR A 110 1.710 10.858 -7.570 1.00 0.00 C ATOM 1763 C TYR A 110 2.372 9.874 -6.608 1.00 0.00 C ATOM 1764 O TYR A 110 2.032 9.797 -5.427 1.00 0.00 O ATOM 1765 CB TYR A 110 2.473 12.184 -7.564 1.00 0.00 C ATOM 1766 CG TYR A 110 1.682 13.340 -8.134 1.00 0.00 C ATOM 1767 CD1 TYR A 110 1.718 13.627 -9.494 1.00 0.00 C ATOM 1768 CD2 TYR A 110 0.899 14.143 -7.315 1.00 0.00 C ATOM 1769 CE1 TYR A 110 0.998 14.682 -10.019 1.00 0.00 C ATOM 1770 CE2 TYR A 110 0.174 15.200 -7.832 1.00 0.00 C ATOM 1771 CZ TYR A 110 0.227 15.466 -9.184 1.00 0.00 C ATOM 1772 OH TYR A 110 -0.493 16.517 -9.704 1.00 0.00 O ATOM 0 H TYR A 110 0.176 11.531 -6.310 1.00 0.00 H new ATOM 0 HA TYR A 110 1.739 10.434 -8.574 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.763 12.422 -6.541 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.393 12.067 -8.137 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.319 13.015 -10.150 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.856 13.938 -6.256 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.038 14.893 -11.077 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.431 15.814 -7.181 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.983 16.966 -8.984 1.00 0.00 H new ATOM 1782 N PRO A 111 3.340 9.104 -7.125 1.00 0.00 N ATOM 1783 CA PRO A 111 4.071 8.112 -6.332 1.00 0.00 C ATOM 1784 C PRO A 111 4.997 8.758 -5.306 1.00 0.00 C ATOM 1785 O PRO A 111 5.019 9.980 -5.159 1.00 0.00 O ATOM 1786 CB PRO A 111 4.883 7.347 -7.379 1.00 0.00 C ATOM 1787 CG PRO A 111 5.047 8.308 -8.506 1.00 0.00 C ATOM 1788 CD PRO A 111 3.796 9.141 -8.525 1.00 0.00 C ATOM 0 HA PRO A 111 3.399 7.481 -5.750 1.00 0.00 H new ATOM 0 HB2 PRO A 111 5.849 7.035 -6.981 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.364 6.444 -7.701 1.00 0.00 H new ATOM 0 HG2 PRO A 111 5.929 8.932 -8.362 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.180 7.782 -9.451 1.00 0.00 H new ATOM 0 HD2 PRO A 111 3.997 10.160 -8.855 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.048 8.728 -9.202 1.00 0.00 H new ATOM 1796 N TYR A 112 5.760 7.930 -4.601 1.00 0.00 N ATOM 1797 CA TYR A 112 6.687 8.420 -3.589 1.00 0.00 C ATOM 1798 C TYR A 112 7.998 8.872 -4.224 1.00 0.00 C ATOM 1799 O TYR A 112 8.151 8.846 -5.445 1.00 0.00 O ATOM 1800 CB TYR A 112 6.959 7.334 -2.546 1.00 0.00 C ATOM 1801 CG TYR A 112 8.142 6.455 -2.884 1.00 0.00 C ATOM 1802 CD1 TYR A 112 8.336 5.985 -4.178 1.00 0.00 C ATOM 1803 CD2 TYR A 112 9.063 6.091 -1.911 1.00 0.00 C ATOM 1804 CE1 TYR A 112 9.415 5.180 -4.491 1.00 0.00 C ATOM 1805 CE2 TYR A 112 10.145 5.287 -2.214 1.00 0.00 C ATOM 1806 CZ TYR A 112 10.317 4.835 -3.506 1.00 0.00 C ATOM 1807 OH TYR A 112 11.393 4.033 -3.813 1.00 0.00 O ATOM 0 H TYR A 112 5.754 6.916 -4.712 1.00 0.00 H new ATOM 0 HA TYR A 112 6.228 9.278 -3.098 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.132 7.806 -1.579 1.00 0.00 H new ATOM 0 HB3 TYR A 112 6.071 6.710 -2.443 1.00 0.00 H new ATOM 0 HD1 TYR A 112 7.632 6.253 -4.952 1.00 0.00 H new ATOM 0 HD2 TYR A 112 8.931 6.443 -0.898 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.551 4.823 -5.501 1.00 0.00 H new ATOM 0 HE2 TYR A 112 10.852 5.014 -1.444 1.00 0.00 H new ATOM 0 HH TYR A 112 11.932 3.886 -3.008 1.00 0.00 H new ATOM 1817 N SER A 113 8.944 9.284 -3.386 1.00 0.00 N ATOM 1818 CA SER A 113 10.242 9.744 -3.863 1.00 0.00 C ATOM 1819 C SER A 113 11.274 8.623 -3.795 1.00 0.00 C ATOM 1820 O SER A 113 11.643 8.041 -4.814 1.00 0.00 O ATOM 1821 CB SER A 113 10.718 10.942 -3.037 1.00 0.00 C ATOM 1822 OG SER A 113 12.058 11.278 -3.353 1.00 0.00 O ATOM 0 H SER A 113 8.835 9.308 -2.372 1.00 0.00 H new ATOM 0 HA SER A 113 10.131 10.050 -4.903 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.071 11.798 -3.226 1.00 0.00 H new ATOM 0 HB3 SER A 113 10.638 10.710 -1.975 1.00 0.00 H new ATOM 0 HG SER A 113 12.338 12.047 -2.814 1.00 0.00 H new