USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 533 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 97 LYS NZ :NH3+ -141:sc= 0.272 (180deg=0) USER MOD Set 1.2: A 134 THR OG1 : rot -77:sc= 1.23 USER MOD Set 1.3: A 141 MET CE :methyl -158:sc= -0.108 (180deg=-0.785) USER MOD Set 2.1: A 133 ASN : amide:sc= -0.378 K(o=-0.66,f=-1.4) USER MOD Set 2.2: A 142 HIS : no HD1:sc= -0.283 X(o=-0.66,f=-0.3) USER MOD Set 3.1: A 91 ASN : amide:sc= -1.31 K(o=-1.6,f=0.14) USER MOD Set 3.2: A 107 CYS SG : rot -150:sc= -0.24 USER MOD Set 4.1: A 88 THR OG1 : rot 3:sc= 0.461 USER MOD Set 4.2: A 137 GLN : amide:sc= -0.805 K(o=-0.34,f=-4.5!) USER MOD Single : A 78 THR OG1 : rot -30:sc= -0.995 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -3.56! C(o=-3.6!,f=-6.5!) USER MOD Single : A 84 ASN : amide:sc= 0.163 X(o=0.16,f=-0.24) USER MOD Single : A 86 SER OG : rot -160:sc= -2.32 USER MOD Single : A 89 CYS SG : rot 75:sc= 1.9 USER MOD Single : A 90 THR OG1 : rot 180:sc=-0.00613 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 TYR OH : rot 180:sc= -1.49 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -1.93 K(o=-1.9,f=-0.77) USER MOD Single : A 118 MET CE :methyl -162:sc= -1.62 (180deg=-2.19) USER MOD Single : A 139 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.417) USER MOD Single : A 144 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 78 -1.697 13.442 8.909 1.00 0.00 N ATOM 110 CA THR A 78 -2.830 12.836 8.222 1.00 0.00 C ATOM 111 C THR A 78 -3.074 11.413 8.712 1.00 0.00 C ATOM 112 O THR A 78 -2.202 10.799 9.327 1.00 0.00 O ATOM 113 CB THR A 78 -2.615 12.812 6.697 1.00 0.00 C ATOM 114 OG1 THR A 78 -1.217 12.710 6.401 1.00 0.00 O ATOM 115 CG2 THR A 78 -3.185 14.064 6.049 1.00 0.00 C ATOM 0 HA THR A 78 -3.702 13.450 8.449 1.00 0.00 H new ATOM 0 HB THR A 78 -3.137 11.944 6.293 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.700 13.144 7.112 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.021 14.023 4.972 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.254 14.124 6.251 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.689 14.944 6.459 1.00 0.00 H new ATOM 123 N LYS A 79 -4.265 10.893 8.435 1.00 0.00 N ATOM 124 CA LYS A 79 -4.624 9.541 8.846 1.00 0.00 C ATOM 125 C LYS A 79 -5.337 8.801 7.718 1.00 0.00 C ATOM 126 O LYS A 79 -6.192 9.366 7.034 1.00 0.00 O ATOM 127 CB LYS A 79 -5.518 9.584 10.087 1.00 0.00 C ATOM 128 CG LYS A 79 -5.429 8.333 10.944 1.00 0.00 C ATOM 129 CD LYS A 79 -4.116 8.272 11.707 1.00 0.00 C ATOM 130 CE LYS A 79 -4.031 7.024 12.572 1.00 0.00 C ATOM 131 NZ LYS A 79 -4.596 7.251 13.931 1.00 0.00 N ATOM 0 H LYS A 79 -4.998 11.388 7.927 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.706 9.005 9.086 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.245 10.449 10.692 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.552 9.728 9.775 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.261 8.313 11.648 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.525 7.450 10.312 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.284 8.285 11.003 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.017 9.158 12.334 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.568 6.209 12.087 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.990 6.713 12.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.519 6.377 14.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.067 8.012 14.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.596 7.523 13.850 1.00 0.00 H new ATOM 145 N LEU A 80 -4.982 7.535 7.530 1.00 0.00 N ATOM 146 CA LEU A 80 -5.589 6.717 6.486 1.00 0.00 C ATOM 147 C LEU A 80 -6.094 5.395 7.055 1.00 0.00 C ATOM 148 O LEU A 80 -5.317 4.594 7.575 1.00 0.00 O ATOM 149 CB LEU A 80 -4.580 6.452 5.367 1.00 0.00 C ATOM 150 CG LEU A 80 -3.766 7.659 4.897 1.00 0.00 C ATOM 151 CD1 LEU A 80 -2.716 7.232 3.884 1.00 0.00 C ATOM 152 CD2 LEU A 80 -4.681 8.721 4.305 1.00 0.00 C ATOM 0 H LEU A 80 -4.277 7.052 8.087 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.439 7.264 6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.887 5.681 5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.117 6.045 4.510 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.256 8.088 5.759 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.147 8.103 3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.042 6.508 4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.205 6.778 3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.085 9.572 3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.219 8.304 3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.395 9.048 5.061 1.00 0.00 H new ATOM 164 N HIS A 81 -7.400 5.172 6.950 1.00 0.00 N ATOM 165 CA HIS A 81 -8.009 3.945 7.452 1.00 0.00 C ATOM 166 C HIS A 81 -8.035 2.870 6.370 1.00 0.00 C ATOM 167 O HIS A 81 -8.292 3.158 5.200 1.00 0.00 O ATOM 168 CB HIS A 81 -9.428 4.221 7.949 1.00 0.00 C ATOM 169 CG HIS A 81 -10.148 2.993 8.416 1.00 0.00 C ATOM 170 ND1 HIS A 81 -10.295 1.865 7.638 1.00 0.00 N ATOM 171 CD2 HIS A 81 -10.762 2.721 9.591 1.00 0.00 C ATOM 172 CE1 HIS A 81 -10.971 0.952 8.313 1.00 0.00 C ATOM 173 NE2 HIS A 81 -11.265 1.446 9.502 1.00 0.00 N ATOM 0 H HIS A 81 -8.057 5.824 6.522 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.406 3.583 8.284 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.384 4.940 8.767 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.001 4.686 7.147 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.842 3.383 10.440 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.238 -0.031 7.954 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -11.782 0.960 10.235 1.00 0.00 H new ATOM 182 N VAL A 82 -7.768 1.630 6.767 1.00 0.00 N ATOM 183 CA VAL A 82 -7.762 0.512 5.831 1.00 0.00 C ATOM 184 C VAL A 82 -8.676 -0.611 6.310 1.00 0.00 C ATOM 185 O VAL A 82 -8.798 -0.857 7.509 1.00 0.00 O ATOM 186 CB VAL A 82 -6.341 -0.047 5.634 1.00 0.00 C ATOM 187 CG1 VAL A 82 -6.272 -0.902 4.377 1.00 0.00 C ATOM 188 CG2 VAL A 82 -5.326 1.085 5.575 1.00 0.00 C ATOM 0 H VAL A 82 -7.553 1.374 7.731 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.129 0.895 4.879 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.097 -0.679 6.488 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.260 -1.288 4.255 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.970 -1.735 4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.537 -0.296 3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.327 0.671 5.435 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.565 1.745 4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.357 1.651 6.506 1.00 0.00 H new ATOM 198 N GLY A 83 -9.317 -1.289 5.363 1.00 0.00 N ATOM 199 CA GLY A 83 -10.212 -2.379 5.708 1.00 0.00 C ATOM 200 C GLY A 83 -9.922 -3.639 4.918 1.00 0.00 C ATOM 201 O GLY A 83 -9.186 -3.607 3.932 1.00 0.00 O ATOM 0 H GLY A 83 -9.233 -1.103 4.364 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.125 -2.593 6.773 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.242 -2.070 5.528 1.00 0.00 H new ATOM 205 N ASN A 84 -10.500 -4.754 5.353 1.00 0.00 N ATOM 206 CA ASN A 84 -10.297 -6.033 4.680 1.00 0.00 C ATOM 207 C ASN A 84 -8.819 -6.409 4.662 1.00 0.00 C ATOM 208 O ASN A 84 -8.246 -6.665 3.602 1.00 0.00 O ATOM 209 CB ASN A 84 -10.837 -5.971 3.250 1.00 0.00 C ATOM 210 CG ASN A 84 -11.331 -7.319 2.760 1.00 0.00 C ATOM 211 OD1 ASN A 84 -12.345 -7.831 3.234 1.00 0.00 O ATOM 212 ND2 ASN A 84 -10.613 -7.901 1.806 1.00 0.00 N ATOM 0 H ASN A 84 -11.112 -4.798 6.168 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.841 -6.798 5.234 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.652 -5.249 3.203 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -10.053 -5.610 2.584 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.896 -8.809 1.437 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.779 -7.440 1.442 1.00 0.00 H new ATOM 219 N ILE A 85 -8.208 -6.442 5.842 1.00 0.00 N ATOM 220 CA ILE A 85 -6.797 -6.790 5.961 1.00 0.00 C ATOM 221 C ILE A 85 -6.611 -8.298 6.087 1.00 0.00 C ATOM 222 O ILE A 85 -7.542 -9.021 6.444 1.00 0.00 O ATOM 223 CB ILE A 85 -6.149 -6.101 7.177 1.00 0.00 C ATOM 224 CG1 ILE A 85 -6.664 -4.666 7.312 1.00 0.00 C ATOM 225 CG2 ILE A 85 -4.633 -6.115 7.047 1.00 0.00 C ATOM 226 CD1 ILE A 85 -6.112 -3.725 6.264 1.00 0.00 C ATOM 0 H ILE A 85 -8.667 -6.232 6.728 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.308 -6.441 5.052 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.423 -6.652 8.077 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.752 -4.671 7.247 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.406 -4.287 8.301 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.189 -5.625 7.913 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.282 -7.146 6.994 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.341 -5.585 6.141 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.520 -2.726 6.421 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.025 -3.690 6.343 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.393 -4.080 5.272 1.00 0.00 H new ATOM 238 N SER A 86 -5.403 -8.766 5.792 1.00 0.00 N ATOM 239 CA SER A 86 -5.094 -10.189 5.870 1.00 0.00 C ATOM 240 C SER A 86 -4.577 -10.558 7.258 1.00 0.00 C ATOM 241 O SER A 86 -4.055 -9.723 7.996 1.00 0.00 O ATOM 242 CB SER A 86 -4.058 -10.567 4.810 1.00 0.00 C ATOM 243 OG SER A 86 -4.660 -10.708 3.536 1.00 0.00 O ATOM 0 H SER A 86 -4.622 -8.181 5.497 1.00 0.00 H new ATOM 0 HA SER A 86 -6.013 -10.745 5.684 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.282 -9.803 4.766 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.570 -11.501 5.090 1.00 0.00 H new ATOM 0 HG SER A 86 -4.078 -11.242 2.956 1.00 0.00 H new ATOM 249 N PRO A 87 -4.726 -11.840 7.622 1.00 0.00 N ATOM 250 CA PRO A 87 -4.281 -12.350 8.922 1.00 0.00 C ATOM 251 C PRO A 87 -2.761 -12.392 9.039 1.00 0.00 C ATOM 252 O PRO A 87 -2.209 -12.299 10.136 1.00 0.00 O ATOM 253 CB PRO A 87 -4.859 -13.767 8.964 1.00 0.00 C ATOM 254 CG PRO A 87 -5.011 -14.157 7.534 1.00 0.00 C ATOM 255 CD PRO A 87 -5.341 -12.891 6.793 1.00 0.00 C ATOM 0 HA PRO A 87 -4.612 -11.715 9.744 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -4.194 -14.450 9.492 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -5.817 -13.789 9.484 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -4.094 -14.605 7.152 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -5.802 -14.897 7.413 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.931 -12.898 5.783 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -6.418 -12.750 6.699 1.00 0.00 H new ATOM 263 N THR A 88 -2.088 -12.531 7.901 1.00 0.00 N ATOM 264 CA THR A 88 -0.632 -12.585 7.876 1.00 0.00 C ATOM 265 C THR A 88 -0.036 -11.211 7.593 1.00 0.00 C ATOM 266 O THR A 88 1.176 -11.074 7.419 1.00 0.00 O ATOM 267 CB THR A 88 -0.125 -13.581 6.815 1.00 0.00 C ATOM 268 OG1 THR A 88 -0.373 -13.066 5.502 1.00 0.00 O ATOM 269 CG2 THR A 88 -0.806 -14.932 6.972 1.00 0.00 C ATOM 0 H THR A 88 -2.529 -12.608 6.984 1.00 0.00 H new ATOM 0 HA THR A 88 -0.311 -12.921 8.862 1.00 0.00 H new ATOM 0 HB THR A 88 0.948 -13.714 6.956 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.763 -12.170 5.571 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.432 -15.618 6.212 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.592 -15.335 7.962 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.883 -14.812 6.854 1.00 0.00 H new ATOM 277 N CYS A 89 -0.893 -10.198 7.548 1.00 0.00 N ATOM 278 CA CYS A 89 -0.449 -8.833 7.286 1.00 0.00 C ATOM 279 C CYS A 89 0.501 -8.351 8.377 1.00 0.00 C ATOM 280 O CYS A 89 0.244 -8.537 9.567 1.00 0.00 O ATOM 281 CB CYS A 89 -1.652 -7.893 7.189 1.00 0.00 C ATOM 282 SG CYS A 89 -1.254 -6.247 6.556 1.00 0.00 S ATOM 0 H CYS A 89 -1.898 -10.295 7.689 1.00 0.00 H new ATOM 0 HA CYS A 89 0.085 -8.827 6.336 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -2.403 -8.347 6.543 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -2.101 -7.792 8.177 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.048 -6.313 5.274 1.00 0.00 H new ATOM 288 N THR A 90 1.602 -7.731 7.964 1.00 0.00 N ATOM 289 CA THR A 90 2.593 -7.224 8.906 1.00 0.00 C ATOM 290 C THR A 90 2.807 -5.726 8.726 1.00 0.00 C ATOM 291 O THR A 90 2.705 -5.204 7.616 1.00 0.00 O ATOM 292 CB THR A 90 3.943 -7.947 8.743 1.00 0.00 C ATOM 293 OG1 THR A 90 4.978 -7.205 9.398 1.00 0.00 O ATOM 294 CG2 THR A 90 4.290 -8.122 7.272 1.00 0.00 C ATOM 0 H THR A 90 1.830 -7.568 6.983 1.00 0.00 H new ATOM 0 HA THR A 90 2.205 -7.415 9.907 1.00 0.00 H new ATOM 0 HB THR A 90 3.859 -8.933 9.199 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.833 -7.672 9.291 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.248 -8.635 7.183 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.515 -8.712 6.783 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.356 -7.144 6.795 1.00 0.00 H new ATOM 302 N ASN A 91 3.105 -5.039 9.824 1.00 0.00 N ATOM 303 CA ASN A 91 3.334 -3.599 9.786 1.00 0.00 C ATOM 304 C ASN A 91 4.385 -3.243 8.740 1.00 0.00 C ATOM 305 O ASN A 91 4.204 -2.310 7.958 1.00 0.00 O ATOM 306 CB ASN A 91 3.777 -3.096 11.162 1.00 0.00 C ATOM 307 CG ASN A 91 2.605 -2.683 12.031 1.00 0.00 C ATOM 308 OD1 ASN A 91 2.288 -3.344 13.020 1.00 0.00 O ATOM 309 ND2 ASN A 91 1.955 -1.585 11.664 1.00 0.00 N ATOM 0 H ASN A 91 3.194 -5.456 10.751 1.00 0.00 H new ATOM 0 HA ASN A 91 2.397 -3.114 9.513 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.342 -3.879 11.667 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.450 -2.248 11.036 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.158 -1.258 12.210 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.253 -1.068 10.837 1.00 0.00 H new ATOM 316 N GLN A 92 5.483 -3.992 8.732 1.00 0.00 N ATOM 317 CA GLN A 92 6.563 -3.754 7.782 1.00 0.00 C ATOM 318 C GLN A 92 6.038 -3.755 6.350 1.00 0.00 C ATOM 319 O GLN A 92 6.517 -3.001 5.503 1.00 0.00 O ATOM 320 CB GLN A 92 7.652 -4.817 7.939 1.00 0.00 C ATOM 321 CG GLN A 92 9.044 -4.319 7.585 1.00 0.00 C ATOM 322 CD GLN A 92 10.140 -5.127 8.252 1.00 0.00 C ATOM 323 OE1 GLN A 92 10.561 -4.821 9.368 1.00 0.00 O ATOM 324 NE2 GLN A 92 10.609 -6.165 7.569 1.00 0.00 N ATOM 0 H GLN A 92 5.648 -4.768 9.373 1.00 0.00 H new ATOM 0 HA GLN A 92 6.989 -2.773 7.993 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.654 -5.174 8.969 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.409 -5.671 7.306 1.00 0.00 H new ATOM 0 HG2 GLN A 92 9.176 -4.358 6.504 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.138 -3.274 7.880 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.230 -6.382 6.647 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.348 -6.745 7.966 1.00 0.00 H new ATOM 333 N GLU A 93 5.052 -4.607 6.087 1.00 0.00 N ATOM 334 CA GLU A 93 4.463 -4.705 4.756 1.00 0.00 C ATOM 335 C GLU A 93 3.556 -3.512 4.473 1.00 0.00 C ATOM 336 O GLU A 93 3.745 -2.792 3.491 1.00 0.00 O ATOM 337 CB GLU A 93 3.670 -6.007 4.620 1.00 0.00 C ATOM 338 CG GLU A 93 4.539 -7.226 4.363 1.00 0.00 C ATOM 339 CD GLU A 93 4.960 -7.346 2.911 1.00 0.00 C ATOM 340 OE1 GLU A 93 5.279 -6.306 2.298 1.00 0.00 O ATOM 341 OE2 GLU A 93 4.970 -8.480 2.388 1.00 0.00 O ATOM 0 H GLU A 93 4.645 -5.238 6.777 1.00 0.00 H new ATOM 0 HA GLU A 93 5.273 -4.704 4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.094 -6.168 5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.955 -5.903 3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.428 -7.173 4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.995 -8.124 4.655 1.00 0.00 H new ATOM 348 N LEU A 94 2.569 -3.307 5.338 1.00 0.00 N ATOM 349 CA LEU A 94 1.631 -2.201 5.182 1.00 0.00 C ATOM 350 C LEU A 94 2.360 -0.861 5.206 1.00 0.00 C ATOM 351 O LEU A 94 2.341 -0.116 4.227 1.00 0.00 O ATOM 352 CB LEU A 94 0.576 -2.241 6.289 1.00 0.00 C ATOM 353 CG LEU A 94 -0.704 -1.449 6.025 1.00 0.00 C ATOM 354 CD1 LEU A 94 -1.438 -2.007 4.816 1.00 0.00 C ATOM 355 CD2 LEU A 94 -1.605 -1.466 7.252 1.00 0.00 C ATOM 0 H LEU A 94 2.397 -3.893 6.155 1.00 0.00 H new ATOM 0 HA LEU A 94 1.139 -2.308 4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.305 -3.282 6.468 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.028 -1.867 7.208 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.431 -0.415 5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.347 -1.430 4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.795 -1.942 3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.699 -3.049 4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.512 -0.897 7.046 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.870 -2.495 7.495 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.080 -1.018 8.095 1.00 0.00 H new ATOM 367 N ARG A 95 3.003 -0.563 6.330 1.00 0.00 N ATOM 368 CA ARG A 95 3.739 0.686 6.481 1.00 0.00 C ATOM 369 C ARG A 95 4.643 0.933 5.277 1.00 0.00 C ATOM 370 O ARG A 95 4.595 1.996 4.660 1.00 0.00 O ATOM 371 CB ARG A 95 4.573 0.659 7.763 1.00 0.00 C ATOM 372 CG ARG A 95 5.621 1.759 7.831 1.00 0.00 C ATOM 373 CD ARG A 95 6.653 1.479 8.912 1.00 0.00 C ATOM 374 NE ARG A 95 7.730 2.466 8.909 1.00 0.00 N ATOM 375 CZ ARG A 95 7.613 3.682 9.429 1.00 0.00 C ATOM 376 NH1 ARG A 95 6.473 4.060 9.990 1.00 0.00 N ATOM 377 NH2 ARG A 95 8.638 4.524 9.388 1.00 0.00 N ATOM 0 H ARG A 95 3.029 -1.170 7.150 1.00 0.00 H new ATOM 0 HA ARG A 95 3.016 1.500 6.543 1.00 0.00 H new ATOM 0 HB2 ARG A 95 3.907 0.749 8.621 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.068 -0.309 7.844 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.119 1.849 6.866 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.135 2.714 8.029 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.166 1.477 9.887 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.073 0.484 8.764 1.00 0.00 H new ATOM 0 HE ARG A 95 8.620 2.207 8.484 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.683 3.416 10.023 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.386 4.995 10.389 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.517 4.237 8.957 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.547 5.458 9.788 1.00 0.00 H new ATOM 391 N ALA A 96 5.468 -0.057 4.951 1.00 0.00 N ATOM 392 CA ALA A 96 6.382 0.052 3.821 1.00 0.00 C ATOM 393 C ALA A 96 5.655 0.537 2.571 1.00 0.00 C ATOM 394 O ALA A 96 6.033 1.545 1.972 1.00 0.00 O ATOM 395 CB ALA A 96 7.056 -1.286 3.556 1.00 0.00 C ATOM 0 H ALA A 96 5.522 -0.943 5.453 1.00 0.00 H new ATOM 0 HA ALA A 96 7.146 0.787 4.073 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.736 -1.190 2.709 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.617 -1.592 4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.299 -2.036 3.330 1.00 0.00 H new ATOM 401 N LYS A 97 4.611 -0.186 2.182 1.00 0.00 N ATOM 402 CA LYS A 97 3.830 0.170 1.004 1.00 0.00 C ATOM 403 C LYS A 97 3.384 1.628 1.066 1.00 0.00 C ATOM 404 O LYS A 97 3.521 2.371 0.094 1.00 0.00 O ATOM 405 CB LYS A 97 2.607 -0.743 0.882 1.00 0.00 C ATOM 406 CG LYS A 97 2.128 -0.930 -0.547 1.00 0.00 C ATOM 407 CD LYS A 97 1.376 -2.239 -0.716 1.00 0.00 C ATOM 408 CE LYS A 97 -0.053 -2.130 -0.207 1.00 0.00 C ATOM 409 NZ LYS A 97 -0.973 -3.048 -0.935 1.00 0.00 N ATOM 0 H LYS A 97 4.286 -1.023 2.666 1.00 0.00 H new ATOM 0 HA LYS A 97 4.463 0.039 0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 97 2.848 -1.718 1.306 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.794 -0.328 1.478 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.481 -0.099 -0.826 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.982 -0.910 -1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.368 -2.522 -1.769 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.896 -3.031 -0.177 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.078 -2.361 0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.401 -1.103 -0.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.884 -2.572 -1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.552 -3.307 -1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.126 -3.907 -0.369 1.00 0.00 H new ATOM 423 N PHE A 98 2.853 2.031 2.216 1.00 0.00 N ATOM 424 CA PHE A 98 2.388 3.400 2.405 1.00 0.00 C ATOM 425 C PHE A 98 3.563 4.374 2.429 1.00 0.00 C ATOM 426 O PHE A 98 3.415 5.548 2.090 1.00 0.00 O ATOM 427 CB PHE A 98 1.589 3.515 3.704 1.00 0.00 C ATOM 428 CG PHE A 98 0.149 3.113 3.559 1.00 0.00 C ATOM 429 CD1 PHE A 98 -0.811 4.044 3.194 1.00 0.00 C ATOM 430 CD2 PHE A 98 -0.245 1.804 3.788 1.00 0.00 C ATOM 431 CE1 PHE A 98 -2.136 3.676 3.061 1.00 0.00 C ATOM 432 CE2 PHE A 98 -1.570 1.431 3.656 1.00 0.00 C ATOM 433 CZ PHE A 98 -2.516 2.368 3.291 1.00 0.00 C ATOM 0 H PHE A 98 2.734 1.429 3.031 1.00 0.00 H new ATOM 0 HA PHE A 98 1.742 3.657 1.566 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.057 2.891 4.466 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.637 4.544 4.061 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.520 5.068 3.012 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.491 1.067 4.073 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.875 4.411 2.777 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.864 0.408 3.838 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.551 2.079 3.185 1.00 0.00 H new ATOM 443 N GLU A 99 4.728 3.878 2.833 1.00 0.00 N ATOM 444 CA GLU A 99 5.927 4.705 2.903 1.00 0.00 C ATOM 445 C GLU A 99 6.394 5.104 1.506 1.00 0.00 C ATOM 446 O GLU A 99 7.133 6.075 1.343 1.00 0.00 O ATOM 447 CB GLU A 99 7.045 3.959 3.634 1.00 0.00 C ATOM 448 CG GLU A 99 7.053 4.192 5.135 1.00 0.00 C ATOM 449 CD GLU A 99 8.437 4.062 5.739 1.00 0.00 C ATOM 450 OE1 GLU A 99 9.328 3.501 5.067 1.00 0.00 O ATOM 451 OE2 GLU A 99 8.630 4.521 6.884 1.00 0.00 O ATOM 0 H GLU A 99 4.867 2.908 3.117 1.00 0.00 H new ATOM 0 HA GLU A 99 5.682 5.611 3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.944 2.891 3.441 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.006 4.268 3.222 1.00 0.00 H new ATOM 0 HG2 GLU A 99 6.661 5.187 5.346 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.384 3.477 5.613 1.00 0.00 H new ATOM 458 N GLU A 100 5.959 4.348 0.504 1.00 0.00 N ATOM 459 CA GLU A 100 6.334 4.622 -0.878 1.00 0.00 C ATOM 460 C GLU A 100 5.808 5.983 -1.325 1.00 0.00 C ATOM 461 O GLU A 100 6.359 6.607 -2.232 1.00 0.00 O ATOM 462 CB GLU A 100 5.798 3.527 -1.803 1.00 0.00 C ATOM 463 CG GLU A 100 6.674 2.287 -1.849 1.00 0.00 C ATOM 464 CD GLU A 100 8.114 2.602 -2.203 1.00 0.00 C ATOM 465 OE1 GLU A 100 8.872 3.013 -1.300 1.00 0.00 O ATOM 466 OE2 GLU A 100 8.483 2.438 -3.385 1.00 0.00 O ATOM 0 H GLU A 100 5.347 3.541 0.623 1.00 0.00 H new ATOM 0 HA GLU A 100 7.422 4.635 -0.936 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.798 3.243 -1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.700 3.930 -2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.643 1.789 -0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.269 1.588 -2.580 1.00 0.00 H new ATOM 473 N TYR A 101 4.738 6.437 -0.682 1.00 0.00 N ATOM 474 CA TYR A 101 4.134 7.722 -1.014 1.00 0.00 C ATOM 475 C TYR A 101 4.745 8.843 -0.179 1.00 0.00 C ATOM 476 O TYR A 101 5.198 9.854 -0.713 1.00 0.00 O ATOM 477 CB TYR A 101 2.622 7.671 -0.792 1.00 0.00 C ATOM 478 CG TYR A 101 1.937 6.549 -1.538 1.00 0.00 C ATOM 479 CD1 TYR A 101 1.928 5.255 -1.032 1.00 0.00 C ATOM 480 CD2 TYR A 101 1.299 6.782 -2.750 1.00 0.00 C ATOM 481 CE1 TYR A 101 1.304 4.226 -1.711 1.00 0.00 C ATOM 482 CE2 TYR A 101 0.671 5.760 -3.436 1.00 0.00 C ATOM 483 CZ TYR A 101 0.677 4.484 -2.912 1.00 0.00 C ATOM 484 OH TYR A 101 0.053 3.462 -3.591 1.00 0.00 O ATOM 0 H TYR A 101 4.271 5.934 0.072 1.00 0.00 H new ATOM 0 HA TYR A 101 4.333 7.927 -2.066 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.424 7.561 0.274 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.186 8.621 -1.101 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.417 5.050 -0.091 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.294 7.780 -3.163 1.00 0.00 H new ATOM 0 HE1 TYR A 101 1.307 3.226 -1.304 1.00 0.00 H new ATOM 0 HE2 TYR A 101 0.179 5.959 -4.376 1.00 0.00 H new ATOM 0 HH TYR A 101 -0.341 3.811 -4.418 1.00 0.00 H new ATOM 494 N GLY A 102 4.754 8.654 1.137 1.00 0.00 N ATOM 495 CA GLY A 102 5.312 9.656 2.026 1.00 0.00 C ATOM 496 C GLY A 102 5.921 9.049 3.275 1.00 0.00 C ATOM 497 O GLY A 102 5.780 7.856 3.543 1.00 0.00 O ATOM 0 H GLY A 102 4.385 7.825 1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.074 10.225 1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.530 10.360 2.312 1.00 0.00 H new ATOM 501 N PRO A 103 6.617 9.881 4.063 1.00 0.00 N ATOM 502 CA PRO A 103 7.264 9.441 5.303 1.00 0.00 C ATOM 503 C PRO A 103 6.255 9.096 6.392 1.00 0.00 C ATOM 504 O PRO A 103 5.955 9.918 7.258 1.00 0.00 O ATOM 505 CB PRO A 103 8.103 10.654 5.715 1.00 0.00 C ATOM 506 CG PRO A 103 7.413 11.820 5.095 1.00 0.00 C ATOM 507 CD PRO A 103 6.826 11.316 3.805 1.00 0.00 C ATOM 0 HA PRO A 103 7.847 8.532 5.158 1.00 0.00 H new ATOM 0 HB2 PRO A 103 8.150 10.753 6.799 1.00 0.00 H new ATOM 0 HB3 PRO A 103 9.129 10.565 5.358 1.00 0.00 H new ATOM 0 HG2 PRO A 103 6.635 12.208 5.753 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.113 12.636 4.913 1.00 0.00 H new ATOM 0 HD2 PRO A 103 5.891 11.821 3.565 1.00 0.00 H new ATOM 0 HD3 PRO A 103 7.502 11.479 2.965 1.00 0.00 H new ATOM 515 N VAL A 104 5.734 7.874 6.345 1.00 0.00 N ATOM 516 CA VAL A 104 4.760 7.419 7.329 1.00 0.00 C ATOM 517 C VAL A 104 5.210 7.759 8.746 1.00 0.00 C ATOM 518 O VAL A 104 6.406 7.796 9.035 1.00 0.00 O ATOM 519 CB VAL A 104 4.526 5.900 7.227 1.00 0.00 C ATOM 520 CG1 VAL A 104 3.602 5.426 8.339 1.00 0.00 C ATOM 521 CG2 VAL A 104 3.960 5.539 5.862 1.00 0.00 C ATOM 0 H VAL A 104 5.971 7.181 5.635 1.00 0.00 H new ATOM 0 HA VAL A 104 3.826 7.938 7.113 1.00 0.00 H new ATOM 0 HB VAL A 104 5.484 5.394 7.343 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.448 4.351 8.251 1.00 0.00 H new ATOM 0 HG12 VAL A 104 4.052 5.650 9.306 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.643 5.937 8.258 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.801 4.462 5.807 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.011 6.054 5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.662 5.842 5.085 1.00 0.00 H new ATOM 531 N ILE A 105 4.244 8.006 9.624 1.00 0.00 N ATOM 532 CA ILE A 105 4.541 8.342 11.011 1.00 0.00 C ATOM 533 C ILE A 105 4.371 7.128 11.919 1.00 0.00 C ATOM 534 O ILE A 105 5.321 6.684 12.561 1.00 0.00 O ATOM 535 CB ILE A 105 3.639 9.481 11.521 1.00 0.00 C ATOM 536 CG1 ILE A 105 3.705 10.678 10.570 1.00 0.00 C ATOM 537 CG2 ILE A 105 4.048 9.892 12.927 1.00 0.00 C ATOM 538 CD1 ILE A 105 2.925 11.879 11.055 1.00 0.00 C ATOM 0 H ILE A 105 3.249 7.980 9.400 1.00 0.00 H new ATOM 0 HA ILE A 105 5.579 8.672 11.040 1.00 0.00 H new ATOM 0 HB ILE A 105 2.610 9.123 11.553 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.748 10.964 10.431 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.324 10.378 9.594 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.401 10.698 13.273 1.00 0.00 H new ATOM 0 HG22 ILE A 105 3.954 9.038 13.598 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.083 10.235 12.919 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.017 12.689 10.331 1.00 0.00 H new ATOM 0 HD12 ILE A 105 1.875 11.610 11.167 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.320 12.205 12.017 1.00 0.00 H new ATOM 550 N GLU A 106 3.153 6.597 11.964 1.00 0.00 N ATOM 551 CA GLU A 106 2.859 5.433 12.793 1.00 0.00 C ATOM 552 C GLU A 106 1.798 4.553 12.138 1.00 0.00 C ATOM 553 O GLU A 106 0.666 4.986 11.919 1.00 0.00 O ATOM 554 CB GLU A 106 2.386 5.874 14.180 1.00 0.00 C ATOM 555 CG GLU A 106 3.520 6.091 15.168 1.00 0.00 C ATOM 556 CD GLU A 106 3.867 4.834 15.943 1.00 0.00 C ATOM 557 OE1 GLU A 106 2.952 4.237 16.547 1.00 0.00 O ATOM 558 OE2 GLU A 106 5.055 4.448 15.944 1.00 0.00 O ATOM 0 H GLU A 106 2.355 6.953 11.437 1.00 0.00 H new ATOM 0 HA GLU A 106 3.775 4.852 12.897 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.817 6.799 14.084 1.00 0.00 H new ATOM 0 HB3 GLU A 106 1.706 5.121 14.579 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.403 6.438 14.631 1.00 0.00 H new ATOM 0 HG3 GLU A 106 3.242 6.879 15.867 1.00 0.00 H new ATOM 565 N CYS A 107 2.172 3.317 11.828 1.00 0.00 N ATOM 566 CA CYS A 107 1.254 2.376 11.196 1.00 0.00 C ATOM 567 C CYS A 107 0.834 1.286 12.177 1.00 0.00 C ATOM 568 O CYS A 107 1.658 0.758 12.924 1.00 0.00 O ATOM 569 CB CYS A 107 1.904 1.747 9.963 1.00 0.00 C ATOM 570 SG CYS A 107 0.980 0.355 9.271 1.00 0.00 S ATOM 0 H CYS A 107 3.104 2.943 12.004 1.00 0.00 H new ATOM 0 HA CYS A 107 0.364 2.925 10.888 1.00 0.00 H new ATOM 0 HB2 CYS A 107 2.017 2.512 9.195 1.00 0.00 H new ATOM 0 HB3 CYS A 107 2.906 1.409 10.226 1.00 0.00 H new ATOM 0 HG CYS A 107 1.805 -0.477 8.708 1.00 0.00 H new ATOM 576 N ASP A 108 -0.452 0.954 12.169 1.00 0.00 N ATOM 577 CA ASP A 108 -0.982 -0.073 13.058 1.00 0.00 C ATOM 578 C ASP A 108 -1.977 -0.966 12.324 1.00 0.00 C ATOM 579 O ASP A 108 -2.836 -0.481 11.588 1.00 0.00 O ATOM 580 CB ASP A 108 -1.655 0.570 14.272 1.00 0.00 C ATOM 581 CG ASP A 108 -0.691 0.784 15.423 1.00 0.00 C ATOM 582 OD1 ASP A 108 0.228 -0.045 15.589 1.00 0.00 O ATOM 583 OD2 ASP A 108 -0.855 1.781 16.156 1.00 0.00 O ATOM 0 H ASP A 108 -1.147 1.381 11.557 1.00 0.00 H new ATOM 0 HA ASP A 108 -0.149 -0.689 13.398 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.086 1.528 13.980 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.479 -0.062 14.604 1.00 0.00 H new ATOM 588 N ILE A 109 -1.854 -2.273 12.529 1.00 0.00 N ATOM 589 CA ILE A 109 -2.742 -3.234 11.886 1.00 0.00 C ATOM 590 C ILE A 109 -3.844 -3.687 12.839 1.00 0.00 C ATOM 591 O ILE A 109 -3.689 -3.624 14.059 1.00 0.00 O ATOM 592 CB ILE A 109 -1.969 -4.470 11.389 1.00 0.00 C ATOM 593 CG1 ILE A 109 -1.154 -4.120 10.142 1.00 0.00 C ATOM 594 CG2 ILE A 109 -2.930 -5.613 11.096 1.00 0.00 C ATOM 595 CD1 ILE A 109 -0.044 -5.106 9.851 1.00 0.00 C ATOM 0 H ILE A 109 -1.148 -2.691 13.135 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.189 -2.727 11.031 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.282 -4.790 12.172 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.822 -4.073 9.282 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -0.723 -3.126 10.266 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.369 -6.479 10.746 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.472 -5.875 12.005 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.639 -5.305 10.327 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.492 -4.796 8.954 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.646 -5.136 10.694 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.470 -6.097 9.695 1.00 0.00 H new ATOM 607 N VAL A 110 -4.956 -4.145 12.274 1.00 0.00 N ATOM 608 CA VAL A 110 -6.083 -4.612 13.072 1.00 0.00 C ATOM 609 C VAL A 110 -6.686 -5.882 12.482 1.00 0.00 C ATOM 610 O VAL A 110 -6.300 -6.321 11.399 1.00 0.00 O ATOM 611 CB VAL A 110 -7.181 -3.536 13.176 1.00 0.00 C ATOM 612 CG1 VAL A 110 -8.085 -3.810 14.368 1.00 0.00 C ATOM 613 CG2 VAL A 110 -6.561 -2.150 13.274 1.00 0.00 C ATOM 0 H VAL A 110 -5.101 -4.203 11.266 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.698 -4.826 14.069 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.789 -3.574 12.272 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.854 -3.040 14.426 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.556 -4.786 14.251 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -7.493 -3.801 15.283 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.351 -1.402 13.347 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.928 -2.096 14.160 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.959 -1.957 12.386 1.00 0.00 H new ATOM 623 N LYS A 111 -7.635 -6.469 13.203 1.00 0.00 N ATOM 624 CA LYS A 111 -8.294 -7.689 12.752 1.00 0.00 C ATOM 625 C LYS A 111 -8.461 -7.689 11.236 1.00 0.00 C ATOM 626 O LYS A 111 -7.737 -8.383 10.522 1.00 0.00 O ATOM 627 CB LYS A 111 -9.660 -7.834 13.426 1.00 0.00 C ATOM 628 CG LYS A 111 -9.581 -8.321 14.862 1.00 0.00 C ATOM 629 CD LYS A 111 -9.065 -7.235 15.791 1.00 0.00 C ATOM 630 CE LYS A 111 -9.392 -7.542 17.245 1.00 0.00 C ATOM 631 NZ LYS A 111 -9.365 -6.317 18.090 1.00 0.00 N ATOM 0 H LYS A 111 -7.965 -6.119 14.103 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.666 -8.535 13.031 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -10.170 -6.871 13.405 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.269 -8.529 12.848 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.568 -8.645 15.192 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.925 -9.190 14.917 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -7.986 -7.136 15.673 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.505 -6.277 15.513 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -10.378 -8.003 17.306 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -8.676 -8.267 17.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.593 -6.568 19.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.417 -5.890 18.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.066 -5.635 17.736 1.00 0.00 H new ATOM 645 N ASP A 112 -9.417 -6.904 10.751 1.00 0.00 N ATOM 646 CA ASP A 112 -9.677 -6.812 9.319 1.00 0.00 C ATOM 647 C ASP A 112 -9.509 -5.377 8.828 1.00 0.00 C ATOM 648 O ASP A 112 -9.915 -5.039 7.715 1.00 0.00 O ATOM 649 CB ASP A 112 -11.087 -7.311 9.001 1.00 0.00 C ATOM 650 CG ASP A 112 -11.187 -8.823 9.036 1.00 0.00 C ATOM 651 OD1 ASP A 112 -10.994 -9.406 10.123 1.00 0.00 O ATOM 652 OD2 ASP A 112 -11.459 -9.424 7.975 1.00 0.00 O ATOM 0 H ASP A 112 -10.024 -6.322 11.328 1.00 0.00 H new ATOM 0 HA ASP A 112 -8.953 -7.442 8.802 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -11.790 -6.887 9.718 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -11.382 -6.953 8.015 1.00 0.00 H new ATOM 657 N TYR A 113 -8.910 -4.537 9.664 1.00 0.00 N ATOM 658 CA TYR A 113 -8.692 -3.138 9.317 1.00 0.00 C ATOM 659 C TYR A 113 -7.299 -2.682 9.742 1.00 0.00 C ATOM 660 O TYR A 113 -6.547 -3.438 10.356 1.00 0.00 O ATOM 661 CB TYR A 113 -9.753 -2.256 9.977 1.00 0.00 C ATOM 662 CG TYR A 113 -10.276 -2.812 11.282 1.00 0.00 C ATOM 663 CD1 TYR A 113 -10.957 -4.023 11.321 1.00 0.00 C ATOM 664 CD2 TYR A 113 -10.092 -2.126 12.476 1.00 0.00 C ATOM 665 CE1 TYR A 113 -11.437 -4.534 12.511 1.00 0.00 C ATOM 666 CE2 TYR A 113 -10.568 -2.630 13.671 1.00 0.00 C ATOM 667 CZ TYR A 113 -11.240 -3.835 13.683 1.00 0.00 C ATOM 668 OH TYR A 113 -11.717 -4.340 14.871 1.00 0.00 O ATOM 0 H TYR A 113 -8.566 -4.801 10.588 1.00 0.00 H new ATOM 0 HA TYR A 113 -8.771 -3.042 8.234 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -9.331 -1.267 10.156 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -10.587 -2.127 9.287 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -11.113 -4.574 10.405 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -9.568 -1.182 12.470 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -11.964 -5.477 12.523 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -10.415 -2.084 14.590 1.00 0.00 H new ATOM 0 HH TYR A 113 -11.493 -3.726 15.601 1.00 0.00 H new ATOM 678 N ALA A 114 -6.964 -1.439 9.410 1.00 0.00 N ATOM 679 CA ALA A 114 -5.664 -0.880 9.759 1.00 0.00 C ATOM 680 C ALA A 114 -5.705 0.644 9.761 1.00 0.00 C ATOM 681 O ALA A 114 -6.701 1.249 9.363 1.00 0.00 O ATOM 682 CB ALA A 114 -4.599 -1.380 8.795 1.00 0.00 C ATOM 0 H ALA A 114 -7.575 -0.801 8.900 1.00 0.00 H new ATOM 0 HA ALA A 114 -5.411 -1.212 10.766 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.633 -0.955 9.067 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.544 -2.467 8.846 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.856 -1.077 7.780 1.00 0.00 H new ATOM 688 N PHE A 115 -4.618 1.260 10.213 1.00 0.00 N ATOM 689 CA PHE A 115 -4.530 2.715 10.269 1.00 0.00 C ATOM 690 C PHE A 115 -3.104 3.185 10.000 1.00 0.00 C ATOM 691 O PHE A 115 -2.169 2.806 10.707 1.00 0.00 O ATOM 692 CB PHE A 115 -4.998 3.223 11.635 1.00 0.00 C ATOM 693 CG PHE A 115 -6.393 2.794 11.989 1.00 0.00 C ATOM 694 CD1 PHE A 115 -6.645 1.502 12.423 1.00 0.00 C ATOM 695 CD2 PHE A 115 -7.452 3.681 11.887 1.00 0.00 C ATOM 696 CE1 PHE A 115 -7.928 1.105 12.748 1.00 0.00 C ATOM 697 CE2 PHE A 115 -8.737 3.289 12.212 1.00 0.00 C ATOM 698 CZ PHE A 115 -8.975 2.000 12.644 1.00 0.00 C ATOM 0 H PHE A 115 -3.785 0.774 10.546 1.00 0.00 H new ATOM 0 HA PHE A 115 -5.180 3.123 9.495 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -4.311 2.865 12.402 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -4.948 4.312 11.645 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -5.830 0.798 12.508 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -7.272 4.691 11.550 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.112 0.095 13.083 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -9.554 3.991 12.128 1.00 0.00 H new ATOM 0 HZ PHE A 115 -9.978 1.692 12.900 1.00 0.00 H new ATOM 708 N VAL A 116 -2.944 4.013 8.973 1.00 0.00 N ATOM 709 CA VAL A 116 -1.632 4.536 8.610 1.00 0.00 C ATOM 710 C VAL A 116 -1.576 6.049 8.783 1.00 0.00 C ATOM 711 O VAL A 116 -2.194 6.795 8.023 1.00 0.00 O ATOM 712 CB VAL A 116 -1.271 4.183 7.154 1.00 0.00 C ATOM 713 CG1 VAL A 116 0.109 4.719 6.802 1.00 0.00 C ATOM 714 CG2 VAL A 116 -1.339 2.679 6.938 1.00 0.00 C ATOM 0 H VAL A 116 -3.706 4.336 8.377 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.909 4.070 9.280 1.00 0.00 H new ATOM 0 HB VAL A 116 -1.998 4.655 6.493 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.347 4.460 5.770 1.00 0.00 H new ATOM 0 HG12 VAL A 116 0.118 5.803 6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 116 0.851 4.278 7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.081 2.448 5.904 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.636 2.183 7.607 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -2.349 2.327 7.147 1.00 0.00 H new ATOM 724 N HIS A 117 -0.831 6.497 9.789 1.00 0.00 N ATOM 725 CA HIS A 117 -0.694 7.923 10.062 1.00 0.00 C ATOM 726 C HIS A 117 0.348 8.555 9.143 1.00 0.00 C ATOM 727 O HIS A 117 1.536 8.244 9.230 1.00 0.00 O ATOM 728 CB HIS A 117 -0.306 8.149 11.524 1.00 0.00 C ATOM 729 CG HIS A 117 -0.800 9.448 12.081 1.00 0.00 C ATOM 730 ND1 HIS A 117 -1.458 9.547 13.289 1.00 0.00 N ATOM 731 CD2 HIS A 117 -0.728 10.707 11.590 1.00 0.00 C ATOM 732 CE1 HIS A 117 -1.771 10.810 13.515 1.00 0.00 C ATOM 733 NE2 HIS A 117 -1.338 11.535 12.499 1.00 0.00 N ATOM 0 H HIS A 117 -0.313 5.893 10.428 1.00 0.00 H new ATOM 0 HA HIS A 117 -1.656 8.398 9.872 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -0.701 7.331 12.127 1.00 0.00 H new ATOM 0 HB3 HIS A 117 0.780 8.115 11.613 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -0.275 11.005 10.656 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -2.292 11.186 14.383 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -1.440 12.546 12.405 1.00 0.00 H new ATOM 742 N MET A 118 -0.106 9.441 8.263 1.00 0.00 N ATOM 743 CA MET A 118 0.788 10.116 7.329 1.00 0.00 C ATOM 744 C MET A 118 1.220 11.474 7.874 1.00 0.00 C ATOM 745 O MET A 118 0.651 11.972 8.845 1.00 0.00 O ATOM 746 CB MET A 118 0.104 10.292 5.972 1.00 0.00 C ATOM 747 CG MET A 118 0.301 9.112 5.034 1.00 0.00 C ATOM 748 SD MET A 118 2.036 8.820 4.641 1.00 0.00 S ATOM 749 CE MET A 118 1.915 8.321 2.925 1.00 0.00 C ATOM 0 H MET A 118 -1.087 9.708 8.177 1.00 0.00 H new ATOM 0 HA MET A 118 1.676 9.496 7.203 1.00 0.00 H new ATOM 0 HB2 MET A 118 -0.963 10.446 6.130 1.00 0.00 H new ATOM 0 HB3 MET A 118 0.489 11.193 5.495 1.00 0.00 H new ATOM 0 HG2 MET A 118 -0.120 8.216 5.490 1.00 0.00 H new ATOM 0 HG3 MET A 118 -0.252 9.290 4.111 1.00 0.00 H new ATOM 0 HE1 MET A 118 2.830 7.808 2.630 1.00 0.00 H new ATOM 0 HE2 MET A 118 1.066 7.649 2.801 1.00 0.00 H new ATOM 0 HE3 MET A 118 1.775 9.202 2.299 1.00 0.00 H new ATOM 759 N GLU A 119 2.229 12.066 7.243 1.00 0.00 N ATOM 760 CA GLU A 119 2.736 13.366 7.667 1.00 0.00 C ATOM 761 C GLU A 119 2.156 14.484 6.805 1.00 0.00 C ATOM 762 O GLU A 119 1.588 15.447 7.320 1.00 0.00 O ATOM 763 CB GLU A 119 4.264 13.391 7.592 1.00 0.00 C ATOM 764 CG GLU A 119 4.879 14.673 8.126 1.00 0.00 C ATOM 765 CD GLU A 119 6.386 14.584 8.266 1.00 0.00 C ATOM 766 OE1 GLU A 119 6.856 14.023 9.278 1.00 0.00 O ATOM 767 OE2 GLU A 119 7.097 15.074 7.363 1.00 0.00 O ATOM 0 H GLU A 119 2.711 11.667 6.438 1.00 0.00 H new ATOM 0 HA GLU A 119 2.427 13.529 8.699 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.661 12.546 8.155 1.00 0.00 H new ATOM 0 HB3 GLU A 119 4.571 13.256 6.555 1.00 0.00 H new ATOM 0 HG2 GLU A 119 4.628 15.497 7.458 1.00 0.00 H new ATOM 0 HG3 GLU A 119 4.441 14.905 9.097 1.00 0.00 H new ATOM 774 N ARG A 120 2.304 14.348 5.491 1.00 0.00 N ATOM 775 CA ARG A 120 1.797 15.346 4.558 1.00 0.00 C ATOM 776 C ARG A 120 0.468 14.901 3.954 1.00 0.00 C ATOM 777 O ARG A 120 0.184 13.706 3.867 1.00 0.00 O ATOM 778 CB ARG A 120 2.816 15.599 3.445 1.00 0.00 C ATOM 779 CG ARG A 120 4.147 16.134 3.948 1.00 0.00 C ATOM 780 CD ARG A 120 5.183 16.183 2.837 1.00 0.00 C ATOM 781 NE ARG A 120 6.531 16.399 3.355 1.00 0.00 N ATOM 782 CZ ARG A 120 7.615 16.440 2.588 1.00 0.00 C ATOM 783 NH1 ARG A 120 7.509 16.283 1.276 1.00 0.00 N ATOM 784 NH2 ARG A 120 8.808 16.641 3.134 1.00 0.00 N ATOM 0 H ARG A 120 2.771 13.556 5.049 1.00 0.00 H new ATOM 0 HA ARG A 120 1.634 16.272 5.109 1.00 0.00 H new ATOM 0 HB2 ARG A 120 2.989 14.669 2.904 1.00 0.00 H new ATOM 0 HB3 ARG A 120 2.395 16.308 2.733 1.00 0.00 H new ATOM 0 HG2 ARG A 120 4.006 17.133 4.360 1.00 0.00 H new ATOM 0 HG3 ARG A 120 4.511 15.503 4.759 1.00 0.00 H new ATOM 0 HD2 ARG A 120 5.156 15.250 2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 120 4.930 16.982 2.140 1.00 0.00 H new ATOM 0 HE ARG A 120 6.647 16.525 4.361 1.00 0.00 H new ATOM 0 HH11 ARG A 120 6.594 16.130 0.853 1.00 0.00 H new ATOM 0 HH12 ARG A 120 8.343 16.315 0.690 1.00 0.00 H new ATOM 0 HH21 ARG A 120 8.893 16.764 4.143 1.00 0.00 H new ATOM 0 HH22 ARG A 120 9.640 16.672 2.545 1.00 0.00 H new ATOM 798 N ALA A 121 -0.342 15.869 3.539 1.00 0.00 N ATOM 799 CA ALA A 121 -1.639 15.577 2.942 1.00 0.00 C ATOM 800 C ALA A 121 -1.481 14.994 1.542 1.00 0.00 C ATOM 801 O ALA A 121 -2.064 13.959 1.222 1.00 0.00 O ATOM 802 CB ALA A 121 -2.495 16.834 2.899 1.00 0.00 C ATOM 0 H ALA A 121 -0.123 16.863 3.605 1.00 0.00 H new ATOM 0 HA ALA A 121 -2.137 14.832 3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.461 16.601 2.451 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.646 17.207 3.912 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.993 17.596 2.303 1.00 0.00 H new ATOM 808 N GLU A 122 -0.688 15.665 0.713 1.00 0.00 N ATOM 809 CA GLU A 122 -0.455 15.213 -0.654 1.00 0.00 C ATOM 810 C GLU A 122 0.034 13.768 -0.673 1.00 0.00 C ATOM 811 O GLU A 122 -0.293 13.003 -1.580 1.00 0.00 O ATOM 812 CB GLU A 122 0.566 16.117 -1.347 1.00 0.00 C ATOM 813 CG GLU A 122 1.869 16.266 -0.578 1.00 0.00 C ATOM 814 CD GLU A 122 2.769 17.340 -1.157 1.00 0.00 C ATOM 815 OE1 GLU A 122 2.982 17.336 -2.387 1.00 0.00 O ATOM 816 OE2 GLU A 122 3.260 18.185 -0.378 1.00 0.00 O ATOM 0 H GLU A 122 -0.196 16.523 0.964 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.401 15.266 -1.193 1.00 0.00 H new ATOM 0 HB2 GLU A 122 0.782 15.715 -2.337 1.00 0.00 H new ATOM 0 HB3 GLU A 122 0.125 17.103 -1.493 1.00 0.00 H new ATOM 0 HG2 GLU A 122 1.647 16.505 0.462 1.00 0.00 H new ATOM 0 HG3 GLU A 122 2.399 15.313 -0.580 1.00 0.00 H new ATOM 823 N ASP A 123 0.818 13.402 0.335 1.00 0.00 N ATOM 824 CA ASP A 123 1.353 12.049 0.435 1.00 0.00 C ATOM 825 C ASP A 123 0.265 11.065 0.854 1.00 0.00 C ATOM 826 O ASP A 123 0.248 9.917 0.411 1.00 0.00 O ATOM 827 CB ASP A 123 2.508 12.007 1.436 1.00 0.00 C ATOM 828 CG ASP A 123 3.758 12.681 0.906 1.00 0.00 C ATOM 829 OD1 ASP A 123 3.650 13.819 0.404 1.00 0.00 O ATOM 830 OD2 ASP A 123 4.844 12.070 0.992 1.00 0.00 O ATOM 0 H ASP A 123 1.097 14.023 1.094 1.00 0.00 H new ATOM 0 HA ASP A 123 1.724 11.758 -0.548 1.00 0.00 H new ATOM 0 HB2 ASP A 123 2.201 12.494 2.361 1.00 0.00 H new ATOM 0 HB3 ASP A 123 2.734 10.969 1.682 1.00 0.00 H new ATOM 835 N ALA A 124 -0.642 11.522 1.712 1.00 0.00 N ATOM 836 CA ALA A 124 -1.734 10.683 2.190 1.00 0.00 C ATOM 837 C ALA A 124 -2.786 10.481 1.105 1.00 0.00 C ATOM 838 O ALA A 124 -3.119 9.350 0.751 1.00 0.00 O ATOM 839 CB ALA A 124 -2.364 11.294 3.432 1.00 0.00 C ATOM 0 H ALA A 124 -0.642 12.469 2.090 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.324 9.707 2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.178 10.657 3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -1.612 11.380 4.216 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.754 12.283 3.193 1.00 0.00 H new ATOM 845 N VAL A 125 -3.308 11.585 0.580 1.00 0.00 N ATOM 846 CA VAL A 125 -4.323 11.529 -0.465 1.00 0.00 C ATOM 847 C VAL A 125 -3.914 10.570 -1.577 1.00 0.00 C ATOM 848 O VAL A 125 -4.749 9.857 -2.133 1.00 0.00 O ATOM 849 CB VAL A 125 -4.582 12.921 -1.071 1.00 0.00 C ATOM 850 CG1 VAL A 125 -5.520 12.818 -2.264 1.00 0.00 C ATOM 851 CG2 VAL A 125 -5.147 13.863 -0.019 1.00 0.00 C ATOM 0 H VAL A 125 -3.044 12.529 0.862 1.00 0.00 H new ATOM 0 HA VAL A 125 -5.239 11.169 0.002 1.00 0.00 H new ATOM 0 HB VAL A 125 -3.633 13.329 -1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -5.691 13.811 -2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -5.072 12.179 -3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -6.470 12.390 -1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -5.324 14.842 -0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -6.087 13.462 0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -4.436 13.961 0.801 1.00 0.00 H new ATOM 861 N GLU A 126 -2.624 10.559 -1.896 1.00 0.00 N ATOM 862 CA GLU A 126 -2.105 9.687 -2.944 1.00 0.00 C ATOM 863 C GLU A 126 -2.087 8.233 -2.482 1.00 0.00 C ATOM 864 O GLU A 126 -2.578 7.344 -3.177 1.00 0.00 O ATOM 865 CB GLU A 126 -0.694 10.123 -3.347 1.00 0.00 C ATOM 866 CG GLU A 126 -0.672 11.304 -4.303 1.00 0.00 C ATOM 867 CD GLU A 126 -1.130 10.933 -5.700 1.00 0.00 C ATOM 868 OE1 GLU A 126 -0.283 10.493 -6.505 1.00 0.00 O ATOM 869 OE2 GLU A 126 -2.336 11.083 -5.988 1.00 0.00 O ATOM 0 H GLU A 126 -1.920 11.143 -1.445 1.00 0.00 H new ATOM 0 HA GLU A 126 -2.764 9.767 -3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -0.133 10.382 -2.449 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -0.181 9.281 -3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -1.313 12.094 -3.913 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.339 11.708 -4.352 1.00 0.00 H new ATOM 876 N ALA A 127 -1.516 7.999 -1.304 1.00 0.00 N ATOM 877 CA ALA A 127 -1.435 6.654 -0.749 1.00 0.00 C ATOM 878 C ALA A 127 -2.798 5.969 -0.769 1.00 0.00 C ATOM 879 O ALA A 127 -2.888 4.744 -0.684 1.00 0.00 O ATOM 880 CB ALA A 127 -0.887 6.701 0.670 1.00 0.00 C ATOM 0 H ALA A 127 -1.103 8.724 -0.717 1.00 0.00 H new ATOM 0 HA ALA A 127 -0.755 6.071 -1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -0.832 5.690 1.072 1.00 0.00 H new ATOM 0 HB2 ALA A 127 0.109 7.143 0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -1.546 7.305 1.295 1.00 0.00 H new ATOM 886 N ILE A 128 -3.854 6.766 -0.881 1.00 0.00 N ATOM 887 CA ILE A 128 -5.211 6.236 -0.912 1.00 0.00 C ATOM 888 C ILE A 128 -5.646 5.921 -2.340 1.00 0.00 C ATOM 889 O ILE A 128 -5.919 4.769 -2.676 1.00 0.00 O ATOM 890 CB ILE A 128 -6.216 7.222 -0.287 1.00 0.00 C ATOM 891 CG1 ILE A 128 -5.965 7.355 1.216 1.00 0.00 C ATOM 892 CG2 ILE A 128 -7.642 6.764 -0.553 1.00 0.00 C ATOM 893 CD1 ILE A 128 -6.585 8.594 1.825 1.00 0.00 C ATOM 0 H ILE A 128 -3.796 7.782 -0.952 1.00 0.00 H new ATOM 0 HA ILE A 128 -5.204 5.317 -0.326 1.00 0.00 H new ATOM 0 HB ILE A 128 -6.078 8.200 -0.747 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -6.361 6.474 1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -4.890 7.370 1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -8.341 7.471 -0.105 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -7.814 6.716 -1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -7.795 5.777 -0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -6.367 8.623 2.893 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -6.171 9.481 1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -7.665 8.572 1.676 1.00 0.00 H new ATOM 905 N ARG A 129 -5.705 6.953 -3.175 1.00 0.00 N ATOM 906 CA ARG A 129 -6.106 6.787 -4.567 1.00 0.00 C ATOM 907 C ARG A 129 -5.304 5.673 -5.234 1.00 0.00 C ATOM 908 O ARG A 129 -5.718 5.121 -6.253 1.00 0.00 O ATOM 909 CB ARG A 129 -5.915 8.096 -5.335 1.00 0.00 C ATOM 910 CG ARG A 129 -6.908 8.287 -6.470 1.00 0.00 C ATOM 911 CD ARG A 129 -6.591 9.531 -7.284 1.00 0.00 C ATOM 912 NE ARG A 129 -7.676 9.879 -8.197 1.00 0.00 N ATOM 913 CZ ARG A 129 -7.546 10.743 -9.198 1.00 0.00 C ATOM 914 NH1 ARG A 129 -6.383 11.343 -9.414 1.00 0.00 N ATOM 915 NH2 ARG A 129 -8.580 11.007 -9.987 1.00 0.00 N ATOM 0 H ARG A 129 -5.480 7.913 -2.912 1.00 0.00 H new ATOM 0 HA ARG A 129 -7.161 6.514 -4.585 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.005 8.931 -4.640 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -4.903 8.126 -5.740 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -6.892 7.412 -7.120 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -7.916 8.364 -6.064 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -6.402 10.367 -6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -5.676 9.368 -7.854 1.00 0.00 H new ATOM 0 HE ARG A 129 -8.584 9.434 -8.059 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -5.585 11.142 -8.811 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -6.286 12.006 -10.183 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -9.476 10.546 -9.825 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -8.479 11.670 -10.755 1.00 0.00 H new ATOM 929 N GLY A 130 -4.154 5.348 -4.652 1.00 0.00 N ATOM 930 CA GLY A 130 -3.312 4.302 -5.203 1.00 0.00 C ATOM 931 C GLY A 130 -3.548 2.959 -4.542 1.00 0.00 C ATOM 932 O GLY A 130 -3.781 1.957 -5.220 1.00 0.00 O ATOM 0 H GLY A 130 -3.790 5.791 -3.808 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -3.500 4.215 -6.273 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -2.265 4.583 -5.085 1.00 0.00 H new ATOM 936 N LEU A 131 -3.487 2.935 -3.215 1.00 0.00 N ATOM 937 CA LEU A 131 -3.694 1.704 -2.461 1.00 0.00 C ATOM 938 C LEU A 131 -5.182 1.417 -2.285 1.00 0.00 C ATOM 939 O LEU A 131 -5.564 0.409 -1.690 1.00 0.00 O ATOM 940 CB LEU A 131 -3.016 1.800 -1.093 1.00 0.00 C ATOM 941 CG LEU A 131 -1.549 2.231 -1.100 1.00 0.00 C ATOM 942 CD1 LEU A 131 -0.977 2.202 0.309 1.00 0.00 C ATOM 943 CD2 LEU A 131 -0.735 1.339 -2.026 1.00 0.00 C ATOM 0 H LEU A 131 -3.296 3.755 -2.639 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.248 0.883 -3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -3.578 2.505 -0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -3.086 0.827 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.493 3.254 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.068 2.512 0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -1.542 2.883 0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.046 1.190 0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.306 1.661 -2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.798 0.306 -1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.129 1.411 -3.040 1.00 0.00 H new ATOM 955 N ASP A 132 -6.017 2.309 -2.807 1.00 0.00 N ATOM 956 CA ASP A 132 -7.463 2.150 -2.711 1.00 0.00 C ATOM 957 C ASP A 132 -7.939 0.977 -3.562 1.00 0.00 C ATOM 958 O ASP A 132 -7.784 0.980 -4.782 1.00 0.00 O ATOM 959 CB ASP A 132 -8.169 3.434 -3.150 1.00 0.00 C ATOM 960 CG ASP A 132 -9.559 3.173 -3.696 1.00 0.00 C ATOM 961 OD1 ASP A 132 -10.306 2.395 -3.068 1.00 0.00 O ATOM 962 OD2 ASP A 132 -9.899 3.747 -4.752 1.00 0.00 O ATOM 0 H ASP A 132 -5.717 3.150 -3.301 1.00 0.00 H new ATOM 0 HA ASP A 132 -7.712 1.945 -1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -8.237 4.116 -2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -7.570 3.932 -3.912 1.00 0.00 H new ATOM 967 N ASN A 133 -8.519 -0.025 -2.909 1.00 0.00 N ATOM 968 CA ASN A 133 -9.016 -1.206 -3.605 1.00 0.00 C ATOM 969 C ASN A 133 -7.876 -1.952 -4.292 1.00 0.00 C ATOM 970 O ASN A 133 -7.960 -2.285 -5.475 1.00 0.00 O ATOM 971 CB ASN A 133 -10.074 -0.807 -4.636 1.00 0.00 C ATOM 972 CG ASN A 133 -11.452 -0.658 -4.022 1.00 0.00 C ATOM 973 OD1 ASN A 133 -11.591 -0.522 -2.806 1.00 0.00 O ATOM 974 ND2 ASN A 133 -12.480 -0.684 -4.863 1.00 0.00 N ATOM 0 H ASN A 133 -8.656 -0.042 -1.898 1.00 0.00 H new ATOM 0 HA ASN A 133 -9.468 -1.869 -2.868 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -9.784 0.134 -5.104 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -10.110 -1.558 -5.425 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -13.432 -0.589 -4.508 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -12.318 -0.799 -5.863 1.00 0.00 H new ATOM 981 N THR A 134 -6.810 -2.213 -3.542 1.00 0.00 N ATOM 982 CA THR A 134 -5.653 -2.919 -4.078 1.00 0.00 C ATOM 983 C THR A 134 -5.508 -4.297 -3.442 1.00 0.00 C ATOM 984 O THR A 134 -5.521 -4.430 -2.219 1.00 0.00 O ATOM 985 CB THR A 134 -4.354 -2.123 -3.852 1.00 0.00 C ATOM 986 OG1 THR A 134 -4.213 -1.800 -2.464 1.00 0.00 O ATOM 987 CG2 THR A 134 -4.353 -0.845 -4.678 1.00 0.00 C ATOM 0 H THR A 134 -6.724 -1.946 -2.561 1.00 0.00 H new ATOM 0 HA THR A 134 -5.819 -3.031 -5.149 1.00 0.00 H new ATOM 0 HB THR A 134 -3.514 -2.742 -4.168 1.00 0.00 H new ATOM 0 HG1 THR A 134 -4.802 -1.049 -2.241 1.00 0.00 H new ATOM 0 HG21 THR A 134 -3.426 -0.299 -4.502 1.00 0.00 H new ATOM 0 HG22 THR A 134 -4.432 -1.095 -5.736 1.00 0.00 H new ATOM 0 HG23 THR A 134 -5.200 -0.224 -4.388 1.00 0.00 H new ATOM 995 N GLU A 135 -5.368 -5.319 -4.281 1.00 0.00 N ATOM 996 CA GLU A 135 -5.220 -6.687 -3.799 1.00 0.00 C ATOM 997 C GLU A 135 -4.033 -6.803 -2.847 1.00 0.00 C ATOM 998 O GLU A 135 -2.877 -6.749 -3.268 1.00 0.00 O ATOM 999 CB GLU A 135 -5.040 -7.649 -4.975 1.00 0.00 C ATOM 1000 CG GLU A 135 -5.076 -9.114 -4.574 1.00 0.00 C ATOM 1001 CD GLU A 135 -4.821 -10.046 -5.743 1.00 0.00 C ATOM 1002 OE1 GLU A 135 -3.638 -10.302 -6.052 1.00 0.00 O ATOM 1003 OE2 GLU A 135 -5.805 -10.519 -6.350 1.00 0.00 O ATOM 0 H GLU A 135 -5.354 -5.225 -5.297 1.00 0.00 H new ATOM 0 HA GLU A 135 -6.127 -6.954 -3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -5.824 -7.463 -5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -4.089 -7.438 -5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -4.328 -9.294 -3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -6.048 -9.343 -4.137 1.00 0.00 H new ATOM 1010 N PHE A 136 -4.327 -6.963 -1.561 1.00 0.00 N ATOM 1011 CA PHE A 136 -3.285 -7.085 -0.548 1.00 0.00 C ATOM 1012 C PHE A 136 -3.162 -8.528 -0.066 1.00 0.00 C ATOM 1013 O PHE A 136 -4.077 -9.064 0.557 1.00 0.00 O ATOM 1014 CB PHE A 136 -3.585 -6.164 0.636 1.00 0.00 C ATOM 1015 CG PHE A 136 -2.453 -6.061 1.618 1.00 0.00 C ATOM 1016 CD1 PHE A 136 -2.064 -7.161 2.364 1.00 0.00 C ATOM 1017 CD2 PHE A 136 -1.778 -4.863 1.794 1.00 0.00 C ATOM 1018 CE1 PHE A 136 -1.021 -7.069 3.268 1.00 0.00 C ATOM 1019 CE2 PHE A 136 -0.735 -4.766 2.695 1.00 0.00 C ATOM 1020 CZ PHE A 136 -0.357 -5.870 3.434 1.00 0.00 C ATOM 0 H PHE A 136 -5.278 -7.011 -1.196 1.00 0.00 H new ATOM 0 HA PHE A 136 -2.338 -6.789 -0.999 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.821 -5.168 0.261 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -4.472 -6.528 1.154 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -2.581 -8.101 2.239 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -2.071 -3.996 1.220 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -0.726 -7.934 3.843 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -0.216 -3.828 2.821 1.00 0.00 H new ATOM 0 HZ PHE A 136 0.457 -5.795 4.140 1.00 0.00 H new ATOM 1030 N GLN A 137 -2.024 -9.148 -0.360 1.00 0.00 N ATOM 1031 CA GLN A 137 -1.781 -10.529 0.042 1.00 0.00 C ATOM 1032 C GLN A 137 -2.904 -11.441 -0.440 1.00 0.00 C ATOM 1033 O GLN A 137 -3.172 -12.482 0.159 1.00 0.00 O ATOM 1034 CB GLN A 137 -1.649 -10.623 1.563 1.00 0.00 C ATOM 1035 CG GLN A 137 -0.345 -10.051 2.097 1.00 0.00 C ATOM 1036 CD GLN A 137 -0.159 -10.307 3.579 1.00 0.00 C ATOM 1037 OE1 GLN A 137 -0.962 -10.999 4.207 1.00 0.00 O ATOM 1038 NE2 GLN A 137 0.903 -9.750 4.148 1.00 0.00 N ATOM 0 H GLN A 137 -1.256 -8.717 -0.875 1.00 0.00 H new ATOM 0 HA GLN A 137 -0.849 -10.857 -0.418 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -2.484 -10.096 2.025 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -1.727 -11.668 1.862 1.00 0.00 H new ATOM 0 HG2 GLN A 137 0.490 -10.488 1.549 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -0.321 -8.977 1.912 1.00 0.00 H new ATOM 0 HE21 GLN A 137 1.543 -9.184 3.590 1.00 0.00 H new ATOM 0 HE22 GLN A 137 1.080 -9.888 5.143 1.00 0.00 H new ATOM 1047 N GLY A 138 -3.558 -11.044 -1.527 1.00 0.00 N ATOM 1048 CA GLY A 138 -4.644 -11.837 -2.071 1.00 0.00 C ATOM 1049 C GLY A 138 -5.990 -11.156 -1.923 1.00 0.00 C ATOM 1050 O GLY A 138 -6.808 -11.172 -2.843 1.00 0.00 O ATOM 0 H GLY A 138 -3.355 -10.187 -2.041 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -4.454 -12.033 -3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -4.672 -12.803 -1.567 1.00 0.00 H new ATOM 1054 N LYS A 139 -6.223 -10.557 -0.760 1.00 0.00 N ATOM 1055 CA LYS A 139 -7.480 -9.867 -0.492 1.00 0.00 C ATOM 1056 C LYS A 139 -7.314 -8.358 -0.641 1.00 0.00 C ATOM 1057 O LYS A 139 -6.378 -7.770 -0.099 1.00 0.00 O ATOM 1058 CB LYS A 139 -7.978 -10.200 0.916 1.00 0.00 C ATOM 1059 CG LYS A 139 -6.877 -10.223 1.961 1.00 0.00 C ATOM 1060 CD LYS A 139 -7.443 -10.354 3.365 1.00 0.00 C ATOM 1061 CE LYS A 139 -7.585 -11.812 3.775 1.00 0.00 C ATOM 1062 NZ LYS A 139 -8.911 -12.370 3.391 1.00 0.00 N ATOM 0 H LYS A 139 -5.557 -10.535 0.013 1.00 0.00 H new ATOM 0 HA LYS A 139 -8.216 -10.208 -1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -8.730 -9.467 1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 139 -8.470 -11.172 0.898 1.00 0.00 H new ATOM 0 HG2 LYS A 139 -6.202 -11.055 1.761 1.00 0.00 H new ATOM 0 HG3 LYS A 139 -6.287 -9.309 1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 139 -6.792 -9.838 4.071 1.00 0.00 H new ATOM 0 HD3 LYS A 139 -8.416 -9.865 3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 139 -6.795 -12.399 3.307 1.00 0.00 H new ATOM 0 HE3 LYS A 139 -7.452 -11.901 4.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 -9.194 -13.098 4.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 -9.619 -11.608 3.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 -8.848 -12.794 2.444 1.00 0.00 H new ATOM 1076 N ARG A 140 -8.229 -7.737 -1.378 1.00 0.00 N ATOM 1077 CA ARG A 140 -8.184 -6.296 -1.598 1.00 0.00 C ATOM 1078 C ARG A 140 -8.674 -5.543 -0.364 1.00 0.00 C ATOM 1079 O ARG A 140 -9.633 -5.955 0.287 1.00 0.00 O ATOM 1080 CB ARG A 140 -9.035 -5.917 -2.811 1.00 0.00 C ATOM 1081 CG ARG A 140 -9.425 -4.448 -2.846 1.00 0.00 C ATOM 1082 CD ARG A 140 -10.477 -4.176 -3.910 1.00 0.00 C ATOM 1083 NE ARG A 140 -11.810 -4.591 -3.481 1.00 0.00 N ATOM 1084 CZ ARG A 140 -12.845 -4.706 -4.306 1.00 0.00 C ATOM 1085 NH1 ARG A 140 -12.701 -4.439 -5.596 1.00 0.00 N ATOM 1086 NH2 ARG A 140 -14.027 -5.089 -3.840 1.00 0.00 N ATOM 0 H ARG A 140 -9.010 -8.209 -1.833 1.00 0.00 H new ATOM 0 HA ARG A 140 -7.148 -6.014 -1.788 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -8.485 -6.160 -3.720 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -9.940 -6.525 -2.814 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -9.807 -4.149 -1.870 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -8.542 -3.840 -3.043 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -10.487 -3.112 -4.146 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -10.211 -4.703 -4.826 1.00 0.00 H new ATOM 0 HE ARG A 140 -11.954 -4.804 -2.494 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -11.794 -4.144 -5.958 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -13.497 -4.528 -6.227 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -14.141 -5.295 -2.848 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -14.821 -5.177 -4.474 1.00 0.00 H new ATOM 1100 N MET A 141 -8.007 -4.437 -0.049 1.00 0.00 N ATOM 1101 CA MET A 141 -8.375 -3.626 1.106 1.00 0.00 C ATOM 1102 C MET A 141 -8.825 -2.235 0.672 1.00 0.00 C ATOM 1103 O MET A 141 -8.374 -1.716 -0.350 1.00 0.00 O ATOM 1104 CB MET A 141 -7.196 -3.515 2.074 1.00 0.00 C ATOM 1105 CG MET A 141 -5.844 -3.456 1.381 1.00 0.00 C ATOM 1106 SD MET A 141 -5.542 -1.869 0.581 1.00 0.00 S ATOM 1107 CE MET A 141 -3.939 -1.448 1.258 1.00 0.00 C ATOM 0 H MET A 141 -7.210 -4.082 -0.577 1.00 0.00 H new ATOM 0 HA MET A 141 -9.207 -4.116 1.613 1.00 0.00 H new ATOM 0 HB2 MET A 141 -7.321 -2.621 2.685 1.00 0.00 H new ATOM 0 HB3 MET A 141 -7.211 -4.369 2.751 1.00 0.00 H new ATOM 0 HG2 MET A 141 -5.057 -3.646 2.111 1.00 0.00 H new ATOM 0 HG3 MET A 141 -5.787 -4.250 0.637 1.00 0.00 H new ATOM 0 HE1 MET A 141 -3.786 -0.371 1.189 1.00 0.00 H new ATOM 0 HE2 MET A 141 -3.893 -1.755 2.303 1.00 0.00 H new ATOM 0 HE3 MET A 141 -3.160 -1.961 0.695 1.00 0.00 H new ATOM 1117 N HIS A 142 -9.717 -1.635 1.454 1.00 0.00 N ATOM 1118 CA HIS A 142 -10.228 -0.303 1.150 1.00 0.00 C ATOM 1119 C HIS A 142 -9.500 0.758 1.969 1.00 0.00 C ATOM 1120 O HIS A 142 -9.544 0.745 3.200 1.00 0.00 O ATOM 1121 CB HIS A 142 -11.731 -0.235 1.426 1.00 0.00 C ATOM 1122 CG HIS A 142 -12.552 -1.045 0.471 1.00 0.00 C ATOM 1123 ND1 HIS A 142 -13.889 -0.802 0.234 1.00 0.00 N ATOM 1124 CD2 HIS A 142 -12.219 -2.098 -0.311 1.00 0.00 C ATOM 1125 CE1 HIS A 142 -14.343 -1.672 -0.650 1.00 0.00 C ATOM 1126 NE2 HIS A 142 -13.349 -2.470 -0.998 1.00 0.00 N ATOM 0 H HIS A 142 -10.101 -2.050 2.303 1.00 0.00 H new ATOM 0 HA HIS A 142 -10.051 -0.105 0.093 1.00 0.00 H new ATOM 0 HB2 HIS A 142 -11.922 -0.582 2.441 1.00 0.00 H new ATOM 0 HB3 HIS A 142 -12.054 0.805 1.379 1.00 0.00 H new ATOM 0 HD2 HIS A 142 -11.245 -2.560 -0.382 1.00 0.00 H new ATOM 0 HE1 HIS A 142 -15.355 -1.723 -1.025 1.00 0.00 H new ATOM 0 HE2 HIS A 142 -13.411 -3.237 -1.667 1.00 0.00 H new ATOM 1135 N VAL A 143 -8.830 1.675 1.279 1.00 0.00 N ATOM 1136 CA VAL A 143 -8.092 2.744 1.942 1.00 0.00 C ATOM 1137 C VAL A 143 -8.801 4.084 1.779 1.00 0.00 C ATOM 1138 O VAL A 143 -9.228 4.441 0.682 1.00 0.00 O ATOM 1139 CB VAL A 143 -6.659 2.862 1.391 1.00 0.00 C ATOM 1140 CG1 VAL A 143 -5.850 3.854 2.214 1.00 0.00 C ATOM 1141 CG2 VAL A 143 -5.983 1.500 1.367 1.00 0.00 C ATOM 0 H VAL A 143 -8.783 1.699 0.260 1.00 0.00 H new ATOM 0 HA VAL A 143 -8.045 2.488 3.000 1.00 0.00 H new ATOM 0 HB VAL A 143 -6.712 3.233 0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -4.840 3.924 1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -6.326 4.834 2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -5.804 3.516 3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -4.971 1.603 0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -5.941 1.097 2.379 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -6.552 0.823 0.730 1.00 0.00 H new ATOM 1151 N GLN A 144 -8.920 4.821 2.879 1.00 0.00 N ATOM 1152 CA GLN A 144 -9.578 6.122 2.857 1.00 0.00 C ATOM 1153 C GLN A 144 -9.196 6.945 4.083 1.00 0.00 C ATOM 1154 O GLN A 144 -8.389 6.513 4.907 1.00 0.00 O ATOM 1155 CB GLN A 144 -11.096 5.949 2.797 1.00 0.00 C ATOM 1156 CG GLN A 144 -11.674 5.223 4.000 1.00 0.00 C ATOM 1157 CD GLN A 144 -13.081 4.714 3.755 1.00 0.00 C ATOM 1158 OE1 GLN A 144 -13.337 3.511 3.811 1.00 0.00 O ATOM 1159 NE2 GLN A 144 -14.003 5.630 3.481 1.00 0.00 N ATOM 0 H GLN A 144 -8.570 4.540 3.795 1.00 0.00 H new ATOM 0 HA GLN A 144 -9.245 6.654 1.966 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -11.562 6.931 2.717 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -11.355 5.399 1.892 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -11.028 4.384 4.258 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -11.680 5.896 4.857 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -13.747 6.617 3.445 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -14.967 5.347 3.307 1.00 0.00 H new ATOM 1168 N LEU A 145 -9.781 8.132 4.198 1.00 0.00 N ATOM 1169 CA LEU A 145 -9.502 9.017 5.324 1.00 0.00 C ATOM 1170 C LEU A 145 -10.076 8.449 6.618 1.00 0.00 C ATOM 1171 O LEU A 145 -11.184 7.913 6.635 1.00 0.00 O ATOM 1172 CB LEU A 145 -10.084 10.407 5.062 1.00 0.00 C ATOM 1173 CG LEU A 145 -9.250 11.326 4.169 1.00 0.00 C ATOM 1174 CD1 LEU A 145 -7.875 11.558 4.776 1.00 0.00 C ATOM 1175 CD2 LEU A 145 -9.125 10.740 2.770 1.00 0.00 C ATOM 0 H LEU A 145 -10.452 8.504 3.525 1.00 0.00 H new ATOM 0 HA LEU A 145 -8.420 9.097 5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -11.068 10.287 4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -10.233 10.903 6.021 1.00 0.00 H new ATOM 0 HG LEU A 145 -9.758 12.287 4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -7.296 12.214 4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -7.984 12.022 5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -7.358 10.604 4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -8.528 11.407 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -8.640 9.765 2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -10.117 10.627 2.333 1.00 0.00 H new