USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=14 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+ 173:sc= -1.04 (180deg=-1.2) USER MOD Set 1.2: A 134 THR OG1 : rot -68:sc= 0.715 USER MOD Set 2.1: A 111 LYS NZ :NH3+ -120:sc= 1.07 (180deg=0) USER MOD Set 2.2: A 113 TYR OH : rot 180:sc= 0.0124 USER MOD Set 3.1: A 91 ASN : amide:sc= -1.54 K(o=-1.9,f=-0.19) USER MOD Set 3.2: A 107 CYS SG : rot 160:sc= -0.396 USER MOD Set 4.1: A 79 LYS NZ :NH3+ -179:sc= 0.0104 (180deg=-0.00263) USER MOD Set 4.2: A 117 HIS : no HD1:sc= -0.201 X(o=-0.19,f=-0.28) USER MOD Single : A 78 THR OG1 : rot -27:sc= -0.0673 USER MOD Single : A 81 HIS : no HD1:sc= -4.64! C(o=-4.6!,f=-6.4!) USER MOD Single : A 84 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.074) USER MOD Single : A 86 SER OG : rot -139:sc= -1 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot 50:sc= -0.417 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.163 K(o=-0.16,f=-1.6!) USER MOD Single : A 101 TYR OH : rot -30:sc=-0.00251 USER MOD Single : A 118 MET CE :methyl 172:sc= -0.226 (180deg=-0.341) USER MOD Single : A 133 ASN : amide:sc= -0.738 K(o=-0.74,f=-4.1!) USER MOD Single : A 137 GLN : amide:sc= -1.9 X(o=-1.9,f=-2.3!) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 MET CE :methyl -115:sc= -1.32 (180deg=-2.08!) USER MOD Single : A 142 HIS : no HD1:sc= -0.709 K(o=-0.71,f=-0.16) USER MOD Single : A 144 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 78 -1.685 13.462 8.947 1.00 0.00 N ATOM 110 CA THR A 78 -2.805 12.832 8.259 1.00 0.00 C ATOM 111 C THR A 78 -2.996 11.393 8.723 1.00 0.00 C ATOM 112 O THR A 78 -2.039 10.723 9.114 1.00 0.00 O ATOM 113 CB THR A 78 -2.604 12.844 6.731 1.00 0.00 C ATOM 114 OG1 THR A 78 -1.208 12.787 6.420 1.00 0.00 O ATOM 115 CG2 THR A 78 -3.216 14.093 6.115 1.00 0.00 C ATOM 0 HA THR A 78 -3.694 13.412 8.506 1.00 0.00 H new ATOM 0 HB THR A 78 -3.104 11.970 6.314 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.693 13.180 7.155 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.062 14.080 5.036 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.285 14.118 6.329 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.741 14.978 6.538 1.00 0.00 H new ATOM 123 N LYS A 79 -4.237 10.921 8.679 1.00 0.00 N ATOM 124 CA LYS A 79 -4.555 9.560 9.093 1.00 0.00 C ATOM 125 C LYS A 79 -5.342 8.831 8.009 1.00 0.00 C ATOM 126 O LYS A 79 -6.301 9.369 7.455 1.00 0.00 O ATOM 127 CB LYS A 79 -5.356 9.576 10.397 1.00 0.00 C ATOM 128 CG LYS A 79 -5.334 8.251 11.140 1.00 0.00 C ATOM 129 CD LYS A 79 -4.028 8.056 11.893 1.00 0.00 C ATOM 130 CE LYS A 79 -4.203 7.121 13.080 1.00 0.00 C ATOM 131 NZ LYS A 79 -2.938 6.411 13.417 1.00 0.00 N ATOM 0 H LYS A 79 -5.041 11.462 8.360 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.618 9.028 9.256 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.959 10.355 11.048 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.390 9.842 10.176 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.168 8.212 11.840 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.473 7.434 10.432 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.274 7.651 11.218 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.659 9.021 12.240 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.541 7.691 13.945 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.981 6.391 12.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.102 5.771 14.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.619 5.860 12.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.207 7.106 13.672 1.00 0.00 H new ATOM 145 N LEU A 80 -4.932 7.602 7.712 1.00 0.00 N ATOM 146 CA LEU A 80 -5.600 6.798 6.695 1.00 0.00 C ATOM 147 C LEU A 80 -6.112 5.488 7.286 1.00 0.00 C ATOM 148 O LEU A 80 -5.411 4.823 8.049 1.00 0.00 O ATOM 149 CB LEU A 80 -4.644 6.508 5.536 1.00 0.00 C ATOM 150 CG LEU A 80 -3.872 7.708 4.988 1.00 0.00 C ATOM 151 CD1 LEU A 80 -2.914 7.270 3.891 1.00 0.00 C ATOM 152 CD2 LEU A 80 -4.832 8.768 4.467 1.00 0.00 C ATOM 0 H LEU A 80 -4.141 7.141 8.161 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.453 7.365 6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.925 5.757 5.863 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.217 6.066 4.720 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.289 8.142 5.800 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.373 8.137 3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.205 6.548 4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.477 6.811 3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.264 9.615 4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.442 8.346 3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.478 9.104 5.278 1.00 0.00 H new ATOM 164 N HIS A 81 -7.339 5.122 6.927 1.00 0.00 N ATOM 165 CA HIS A 81 -7.944 3.890 7.420 1.00 0.00 C ATOM 166 C HIS A 81 -7.971 2.824 6.328 1.00 0.00 C ATOM 167 O HIS A 81 -8.197 3.126 5.157 1.00 0.00 O ATOM 168 CB HIS A 81 -9.363 4.159 7.921 1.00 0.00 C ATOM 169 CG HIS A 81 -10.110 2.918 8.301 1.00 0.00 C ATOM 170 ND1 HIS A 81 -10.297 1.859 7.438 1.00 0.00 N ATOM 171 CD2 HIS A 81 -10.716 2.568 9.460 1.00 0.00 C ATOM 172 CE1 HIS A 81 -10.988 0.913 8.048 1.00 0.00 C ATOM 173 NE2 HIS A 81 -11.254 1.318 9.277 1.00 0.00 N ATOM 0 H HIS A 81 -7.933 5.661 6.297 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.338 3.522 8.248 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.315 4.823 8.784 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -9.920 4.685 7.145 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.767 3.162 10.361 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.285 -0.031 7.616 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -11.774 0.788 9.976 1.00 0.00 H new ATOM 182 N VAL A 82 -7.738 1.576 6.722 1.00 0.00 N ATOM 183 CA VAL A 82 -7.737 0.465 5.777 1.00 0.00 C ATOM 184 C VAL A 82 -8.663 -0.653 6.242 1.00 0.00 C ATOM 185 O VAL A 82 -8.810 -0.894 7.440 1.00 0.00 O ATOM 186 CB VAL A 82 -6.319 -0.105 5.584 1.00 0.00 C ATOM 187 CG1 VAL A 82 -6.238 -0.912 4.297 1.00 0.00 C ATOM 188 CG2 VAL A 82 -5.290 1.015 5.586 1.00 0.00 C ATOM 0 H VAL A 82 -7.548 1.309 7.688 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.096 0.858 4.826 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.098 -0.772 6.417 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.229 -1.307 4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.948 -1.738 4.340 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.479 -0.270 3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.294 0.594 5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.506 1.709 4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.332 1.546 6.537 1.00 0.00 H new ATOM 198 N GLY A 83 -9.285 -1.335 5.286 1.00 0.00 N ATOM 199 CA GLY A 83 -10.190 -2.421 5.617 1.00 0.00 C ATOM 200 C GLY A 83 -9.892 -3.683 4.833 1.00 0.00 C ATOM 201 O GLY A 83 -9.138 -3.655 3.861 1.00 0.00 O ATOM 0 H GLY A 83 -9.179 -1.155 4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.121 -2.635 6.684 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.215 -2.108 5.420 1.00 0.00 H new ATOM 205 N ASN A 84 -10.485 -4.795 5.256 1.00 0.00 N ATOM 206 CA ASN A 84 -10.277 -6.074 4.588 1.00 0.00 C ATOM 207 C ASN A 84 -8.798 -6.449 4.579 1.00 0.00 C ATOM 208 O ASN A 84 -8.224 -6.723 3.524 1.00 0.00 O ATOM 209 CB ASN A 84 -10.809 -6.017 3.155 1.00 0.00 C ATOM 210 CG ASN A 84 -11.297 -7.366 2.664 1.00 0.00 C ATOM 211 OD1 ASN A 84 -12.355 -7.843 3.077 1.00 0.00 O ATOM 212 ND2 ASN A 84 -10.527 -7.989 1.780 1.00 0.00 N ATOM 0 H ASN A 84 -11.113 -4.836 6.058 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.824 -6.838 5.141 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.626 -5.297 3.102 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -10.022 -5.655 2.493 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.804 -8.900 1.415 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.658 -7.556 1.466 1.00 0.00 H new ATOM 219 N ILE A 85 -8.189 -6.460 5.759 1.00 0.00 N ATOM 220 CA ILE A 85 -6.778 -6.803 5.887 1.00 0.00 C ATOM 221 C ILE A 85 -6.587 -8.312 5.992 1.00 0.00 C ATOM 222 O ILE A 85 -7.536 -9.052 6.249 1.00 0.00 O ATOM 223 CB ILE A 85 -6.144 -6.130 7.119 1.00 0.00 C ATOM 224 CG1 ILE A 85 -6.663 -4.698 7.268 1.00 0.00 C ATOM 225 CG2 ILE A 85 -4.627 -6.140 7.006 1.00 0.00 C ATOM 226 CD1 ILE A 85 -6.243 -3.783 6.139 1.00 0.00 C ATOM 0 H ILE A 85 -8.650 -6.235 6.641 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.282 -6.437 4.988 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.426 -6.694 8.008 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.751 -4.718 7.323 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.304 -4.286 8.211 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.194 -5.661 7.884 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.274 -7.169 6.943 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.325 -5.597 6.110 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.646 -2.785 6.310 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.155 -3.733 6.097 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.625 -4.171 5.195 1.00 0.00 H new ATOM 238 N SER A 86 -5.352 -8.762 5.793 1.00 0.00 N ATOM 239 CA SER A 86 -5.035 -10.184 5.863 1.00 0.00 C ATOM 240 C SER A 86 -4.598 -10.574 7.272 1.00 0.00 C ATOM 241 O SER A 86 -4.131 -9.747 8.056 1.00 0.00 O ATOM 242 CB SER A 86 -3.934 -10.533 4.860 1.00 0.00 C ATOM 243 OG SER A 86 -4.484 -10.890 3.604 1.00 0.00 O ATOM 0 H SER A 86 -4.554 -8.162 5.582 1.00 0.00 H new ATOM 0 HA SER A 86 -5.935 -10.745 5.612 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.265 -9.681 4.739 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.334 -11.357 5.246 1.00 0.00 H new ATOM 0 HG SER A 86 -3.992 -11.654 3.237 1.00 0.00 H new ATOM 249 N PRO A 87 -4.752 -11.865 7.602 1.00 0.00 N ATOM 250 CA PRO A 87 -4.379 -12.396 8.917 1.00 0.00 C ATOM 251 C PRO A 87 -2.869 -12.422 9.124 1.00 0.00 C ATOM 252 O PRO A 87 -2.384 -12.335 10.253 1.00 0.00 O ATOM 253 CB PRO A 87 -4.941 -13.819 8.897 1.00 0.00 C ATOM 254 CG PRO A 87 -5.002 -14.182 7.453 1.00 0.00 C ATOM 255 CD PRO A 87 -5.302 -12.905 6.718 1.00 0.00 C ATOM 0 HA PRO A 87 -4.766 -11.782 9.730 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -4.301 -14.505 9.451 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -5.928 -13.861 9.358 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -4.058 -14.612 7.118 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -5.775 -14.928 7.270 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.831 -12.887 5.735 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -6.373 -12.774 6.561 1.00 0.00 H new ATOM 263 N THR A 88 -2.127 -12.541 8.027 1.00 0.00 N ATOM 264 CA THR A 88 -0.672 -12.580 8.089 1.00 0.00 C ATOM 265 C THR A 88 -0.074 -11.201 7.832 1.00 0.00 C ATOM 266 O THR A 88 1.143 -11.021 7.891 1.00 0.00 O ATOM 267 CB THR A 88 -0.092 -13.576 7.067 1.00 0.00 C ATOM 268 OG1 THR A 88 -0.455 -13.183 5.739 1.00 0.00 O ATOM 269 CG2 THR A 88 -0.596 -14.986 7.340 1.00 0.00 C ATOM 0 H THR A 88 -2.511 -12.612 7.085 1.00 0.00 H new ATOM 0 HA THR A 88 -0.407 -12.907 9.095 1.00 0.00 H new ATOM 0 HB THR A 88 0.994 -13.570 7.163 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.081 -13.820 5.095 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.173 -15.672 6.606 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.293 -15.293 8.341 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.684 -15.004 7.269 1.00 0.00 H new ATOM 277 N CYS A 89 -0.936 -10.232 7.547 1.00 0.00 N ATOM 278 CA CYS A 89 -0.493 -8.868 7.281 1.00 0.00 C ATOM 279 C CYS A 89 0.431 -8.371 8.388 1.00 0.00 C ATOM 280 O CYS A 89 0.102 -8.456 9.572 1.00 0.00 O ATOM 281 CB CYS A 89 -1.697 -7.934 7.148 1.00 0.00 C ATOM 282 SG CYS A 89 -1.262 -6.208 6.833 1.00 0.00 S ATOM 0 H CYS A 89 -1.946 -10.365 7.494 1.00 0.00 H new ATOM 0 HA CYS A 89 0.061 -8.870 6.342 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -2.332 -8.291 6.337 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -2.287 -7.987 8.063 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.416 -6.147 5.848 1.00 0.00 H new ATOM 288 N THR A 90 1.591 -7.852 7.996 1.00 0.00 N ATOM 289 CA THR A 90 2.564 -7.344 8.955 1.00 0.00 C ATOM 290 C THR A 90 2.807 -5.852 8.753 1.00 0.00 C ATOM 291 O THR A 90 2.789 -5.357 7.627 1.00 0.00 O ATOM 292 CB THR A 90 3.906 -8.090 8.842 1.00 0.00 C ATOM 293 OG1 THR A 90 4.885 -7.469 9.682 1.00 0.00 O ATOM 294 CG2 THR A 90 4.400 -8.102 7.403 1.00 0.00 C ATOM 0 H THR A 90 1.879 -7.773 7.021 1.00 0.00 H new ATOM 0 HA THR A 90 2.146 -7.511 9.948 1.00 0.00 H new ATOM 0 HB THR A 90 3.751 -9.119 9.165 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.735 -7.951 9.605 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.349 -8.635 7.349 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.667 -8.602 6.771 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.538 -7.078 7.057 1.00 0.00 H new ATOM 302 N ASN A 91 3.034 -5.141 9.853 1.00 0.00 N ATOM 303 CA ASN A 91 3.280 -3.704 9.796 1.00 0.00 C ATOM 304 C ASN A 91 4.371 -3.379 8.781 1.00 0.00 C ATOM 305 O ASN A 91 4.266 -2.408 8.032 1.00 0.00 O ATOM 306 CB ASN A 91 3.681 -3.180 11.177 1.00 0.00 C ATOM 307 CG ASN A 91 2.484 -2.737 11.997 1.00 0.00 C ATOM 308 OD1 ASN A 91 2.164 -3.338 13.022 1.00 0.00 O ATOM 309 ND2 ASN A 91 1.817 -1.681 11.546 1.00 0.00 N ATOM 0 H ASN A 91 3.053 -5.536 10.793 1.00 0.00 H new ATOM 0 HA ASN A 91 2.358 -3.215 9.482 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.219 -3.960 11.716 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.368 -2.342 11.059 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.003 -1.337 12.055 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.119 -1.214 10.691 1.00 0.00 H new ATOM 316 N GLN A 92 5.417 -4.199 8.761 1.00 0.00 N ATOM 317 CA GLN A 92 6.527 -3.998 7.837 1.00 0.00 C ATOM 318 C GLN A 92 6.042 -4.014 6.391 1.00 0.00 C ATOM 319 O GLN A 92 6.696 -3.471 5.501 1.00 0.00 O ATOM 320 CB GLN A 92 7.591 -5.078 8.042 1.00 0.00 C ATOM 321 CG GLN A 92 9.001 -4.612 7.719 1.00 0.00 C ATOM 322 CD GLN A 92 10.062 -5.413 8.447 1.00 0.00 C ATOM 323 OE1 GLN A 92 9.832 -5.911 9.550 1.00 0.00 O ATOM 324 NE2 GLN A 92 11.233 -5.541 7.834 1.00 0.00 N ATOM 0 H GLN A 92 5.519 -5.008 9.374 1.00 0.00 H new ATOM 0 HA GLN A 92 6.966 -3.022 8.043 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.558 -5.417 9.077 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.349 -5.938 7.417 1.00 0.00 H new ATOM 0 HG2 GLN A 92 9.167 -4.688 6.644 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.101 -3.559 7.983 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.380 -5.112 6.920 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.985 -6.069 8.277 1.00 0.00 H new ATOM 333 N GLU A 93 4.891 -4.641 6.165 1.00 0.00 N ATOM 334 CA GLU A 93 4.320 -4.728 4.827 1.00 0.00 C ATOM 335 C GLU A 93 3.432 -3.522 4.534 1.00 0.00 C ATOM 336 O GLU A 93 3.678 -2.769 3.591 1.00 0.00 O ATOM 337 CB GLU A 93 3.511 -6.018 4.676 1.00 0.00 C ATOM 338 CG GLU A 93 4.363 -7.237 4.365 1.00 0.00 C ATOM 339 CD GLU A 93 4.547 -7.455 2.875 1.00 0.00 C ATOM 340 OE1 GLU A 93 3.661 -8.075 2.252 1.00 0.00 O ATOM 341 OE2 GLU A 93 5.579 -7.005 2.334 1.00 0.00 O ATOM 0 H GLU A 93 4.337 -5.095 6.891 1.00 0.00 H new ATOM 0 HA GLU A 93 5.141 -4.736 4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.955 -6.199 5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.777 -5.886 3.881 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.340 -7.123 4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.900 -8.121 4.803 1.00 0.00 H new ATOM 348 N LEU A 94 2.398 -3.344 5.349 1.00 0.00 N ATOM 349 CA LEU A 94 1.472 -2.230 5.179 1.00 0.00 C ATOM 350 C LEU A 94 2.214 -0.897 5.203 1.00 0.00 C ATOM 351 O LEU A 94 2.095 -0.093 4.278 1.00 0.00 O ATOM 352 CB LEU A 94 0.407 -2.254 6.277 1.00 0.00 C ATOM 353 CG LEU A 94 -0.819 -1.370 6.043 1.00 0.00 C ATOM 354 CD1 LEU A 94 -1.485 -1.722 4.722 1.00 0.00 C ATOM 355 CD2 LEU A 94 -1.804 -1.510 7.194 1.00 0.00 C ATOM 0 H LEU A 94 2.180 -3.957 6.134 1.00 0.00 H new ATOM 0 HA LEU A 94 0.987 -2.338 4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.069 -3.282 6.405 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.874 -1.952 7.215 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.492 -0.331 5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.355 -1.083 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.778 -1.570 3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.799 -2.766 4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.670 -0.874 7.011 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.126 -2.548 7.273 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.322 -1.208 8.124 1.00 0.00 H new ATOM 367 N ARG A 95 2.980 -0.671 6.265 1.00 0.00 N ATOM 368 CA ARG A 95 3.742 0.564 6.408 1.00 0.00 C ATOM 369 C ARG A 95 4.548 0.855 5.146 1.00 0.00 C ATOM 370 O ARG A 95 4.336 1.868 4.482 1.00 0.00 O ATOM 371 CB ARG A 95 4.678 0.473 7.615 1.00 0.00 C ATOM 372 CG ARG A 95 5.623 1.657 7.743 1.00 0.00 C ATOM 373 CD ARG A 95 6.544 1.507 8.943 1.00 0.00 C ATOM 374 NE ARG A 95 7.595 2.522 8.957 1.00 0.00 N ATOM 375 CZ ARG A 95 8.514 2.614 9.911 1.00 0.00 C ATOM 376 NH1 ARG A 95 8.513 1.758 10.923 1.00 0.00 N ATOM 377 NH2 ARG A 95 9.438 3.565 9.854 1.00 0.00 N ATOM 0 H ARG A 95 3.090 -1.326 7.039 1.00 0.00 H new ATOM 0 HA ARG A 95 3.037 1.381 6.564 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.080 0.396 8.523 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.264 -0.443 7.541 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.219 1.748 6.835 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.045 2.576 7.839 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.959 1.578 9.860 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.997 0.516 8.930 1.00 0.00 H new ATOM 0 HE ARG A 95 7.624 3.197 8.192 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.805 1.026 10.971 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.221 1.832 11.654 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.442 4.226 9.077 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.144 3.635 10.587 1.00 0.00 H new ATOM 391 N ALA A 96 5.475 -0.042 4.822 1.00 0.00 N ATOM 392 CA ALA A 96 6.312 0.118 3.640 1.00 0.00 C ATOM 393 C ALA A 96 5.474 0.487 2.420 1.00 0.00 C ATOM 394 O ALA A 96 5.814 1.406 1.675 1.00 0.00 O ATOM 395 CB ALA A 96 7.101 -1.156 3.376 1.00 0.00 C ATOM 0 H ALA A 96 5.664 -0.886 5.362 1.00 0.00 H new ATOM 0 HA ALA A 96 7.011 0.933 3.827 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.722 -1.022 2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.736 -1.375 4.234 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.411 -1.984 3.214 1.00 0.00 H new ATOM 401 N LYS A 97 4.378 -0.237 2.220 1.00 0.00 N ATOM 402 CA LYS A 97 3.491 0.013 1.091 1.00 0.00 C ATOM 403 C LYS A 97 3.059 1.476 1.052 1.00 0.00 C ATOM 404 O LYS A 97 2.985 2.083 -0.016 1.00 0.00 O ATOM 405 CB LYS A 97 2.259 -0.891 1.173 1.00 0.00 C ATOM 406 CG LYS A 97 1.113 -0.442 0.283 1.00 0.00 C ATOM 407 CD LYS A 97 -0.179 -1.160 0.632 1.00 0.00 C ATOM 408 CE LYS A 97 -0.342 -2.438 -0.175 1.00 0.00 C ATOM 409 NZ LYS A 97 -0.613 -2.156 -1.612 1.00 0.00 N ATOM 0 H LYS A 97 4.083 -1.002 2.826 1.00 0.00 H new ATOM 0 HA LYS A 97 4.038 -0.211 0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 97 2.545 -1.906 0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.913 -0.926 2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.971 0.634 0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.365 -0.632 -0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.189 -1.397 1.696 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.026 -0.500 0.444 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.562 -3.041 -0.087 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.160 -3.028 0.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.600 -3.047 -2.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.546 -1.707 -1.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.118 -1.517 -1.984 1.00 0.00 H new ATOM 423 N PHE A 98 2.776 2.036 2.224 1.00 0.00 N ATOM 424 CA PHE A 98 2.352 3.427 2.323 1.00 0.00 C ATOM 425 C PHE A 98 3.554 4.367 2.277 1.00 0.00 C ATOM 426 O PHE A 98 3.443 5.512 1.841 1.00 0.00 O ATOM 427 CB PHE A 98 1.565 3.652 3.616 1.00 0.00 C ATOM 428 CG PHE A 98 0.104 3.327 3.493 1.00 0.00 C ATOM 429 CD1 PHE A 98 -0.351 2.033 3.692 1.00 0.00 C ATOM 430 CD2 PHE A 98 -0.814 4.315 3.176 1.00 0.00 C ATOM 431 CE1 PHE A 98 -1.695 1.731 3.579 1.00 0.00 C ATOM 432 CE2 PHE A 98 -2.160 4.018 3.063 1.00 0.00 C ATOM 433 CZ PHE A 98 -2.600 2.725 3.263 1.00 0.00 C ATOM 0 H PHE A 98 2.833 1.548 3.118 1.00 0.00 H new ATOM 0 HA PHE A 98 1.708 3.646 1.471 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.999 3.041 4.407 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.673 4.693 3.921 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.353 1.252 3.938 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.475 5.328 3.015 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.037 0.719 3.738 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.867 4.797 2.818 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.650 2.491 3.172 1.00 0.00 H new ATOM 443 N GLU A 99 4.702 3.872 2.730 1.00 0.00 N ATOM 444 CA GLU A 99 5.924 4.668 2.742 1.00 0.00 C ATOM 445 C GLU A 99 6.354 5.025 1.322 1.00 0.00 C ATOM 446 O GLU A 99 7.115 5.969 1.112 1.00 0.00 O ATOM 447 CB GLU A 99 7.047 3.908 3.450 1.00 0.00 C ATOM 448 CG GLU A 99 7.000 4.024 4.964 1.00 0.00 C ATOM 449 CD GLU A 99 8.205 3.395 5.636 1.00 0.00 C ATOM 450 OE1 GLU A 99 8.417 2.178 5.456 1.00 0.00 O ATOM 451 OE2 GLU A 99 8.937 4.121 6.341 1.00 0.00 O ATOM 0 H GLU A 99 4.811 2.925 3.093 1.00 0.00 H new ATOM 0 HA GLU A 99 5.721 5.591 3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.993 2.855 3.173 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.007 4.282 3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 99 6.942 5.076 5.242 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.092 3.546 5.333 1.00 0.00 H new ATOM 458 N GLU A 100 5.860 4.263 0.351 1.00 0.00 N ATOM 459 CA GLU A 100 6.195 4.498 -1.049 1.00 0.00 C ATOM 460 C GLU A 100 5.677 5.858 -1.511 1.00 0.00 C ATOM 461 O GLU A 100 6.228 6.465 -2.428 1.00 0.00 O ATOM 462 CB GLU A 100 5.610 3.392 -1.929 1.00 0.00 C ATOM 463 CG GLU A 100 6.442 2.120 -1.940 1.00 0.00 C ATOM 464 CD GLU A 100 6.307 1.346 -3.237 1.00 0.00 C ATOM 465 OE1 GLU A 100 5.165 1.003 -3.607 1.00 0.00 O ATOM 466 OE2 GLU A 100 7.344 1.084 -3.883 1.00 0.00 O ATOM 0 H GLU A 100 5.227 3.479 0.508 1.00 0.00 H new ATOM 0 HA GLU A 100 7.281 4.491 -1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.605 3.156 -1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.515 3.763 -2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.490 2.374 -1.780 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.138 1.484 -1.108 1.00 0.00 H new ATOM 473 N TYR A 101 4.613 6.328 -0.868 1.00 0.00 N ATOM 474 CA TYR A 101 4.018 7.613 -1.214 1.00 0.00 C ATOM 475 C TYR A 101 4.658 8.743 -0.414 1.00 0.00 C ATOM 476 O TYR A 101 5.084 9.752 -0.974 1.00 0.00 O ATOM 477 CB TYR A 101 2.510 7.585 -0.961 1.00 0.00 C ATOM 478 CG TYR A 101 1.785 6.513 -1.743 1.00 0.00 C ATOM 479 CD1 TYR A 101 1.775 5.194 -1.307 1.00 0.00 C ATOM 480 CD2 TYR A 101 1.108 6.820 -2.917 1.00 0.00 C ATOM 481 CE1 TYR A 101 1.114 4.211 -2.019 1.00 0.00 C ATOM 482 CE2 TYR A 101 0.443 5.844 -3.635 1.00 0.00 C ATOM 483 CZ TYR A 101 0.450 4.541 -3.182 1.00 0.00 C ATOM 484 OH TYR A 101 -0.210 3.565 -3.893 1.00 0.00 O ATOM 0 H TYR A 101 4.146 5.838 -0.105 1.00 0.00 H new ATOM 0 HA TYR A 101 4.199 7.795 -2.273 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.331 7.430 0.103 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.089 8.557 -1.217 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.293 4.932 -0.396 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.101 7.839 -3.275 1.00 0.00 H new ATOM 0 HE1 TYR A 101 1.117 3.190 -1.667 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.079 6.100 -4.545 1.00 0.00 H new ATOM 0 HH TYR A 101 0.242 2.705 -3.765 1.00 0.00 H new ATOM 494 N GLY A 102 4.723 8.564 0.902 1.00 0.00 N ATOM 495 CA GLY A 102 5.313 9.575 1.760 1.00 0.00 C ATOM 496 C GLY A 102 5.914 8.987 3.021 1.00 0.00 C ATOM 497 O GLY A 102 5.794 7.792 3.292 1.00 0.00 O ATOM 0 H GLY A 102 4.378 7.737 1.389 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.086 10.109 1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.552 10.306 2.031 1.00 0.00 H new ATOM 501 N PRO A 103 6.579 9.838 3.817 1.00 0.00 N ATOM 502 CA PRO A 103 7.216 9.417 5.068 1.00 0.00 C ATOM 503 C PRO A 103 6.197 9.055 6.144 1.00 0.00 C ATOM 504 O PRO A 103 5.789 9.903 6.938 1.00 0.00 O ATOM 505 CB PRO A 103 8.021 10.649 5.488 1.00 0.00 C ATOM 506 CG PRO A 103 7.317 11.797 4.852 1.00 0.00 C ATOM 507 CD PRO A 103 6.762 11.275 3.555 1.00 0.00 C ATOM 0 HA PRO A 103 7.821 8.520 4.936 1.00 0.00 H new ATOM 0 HB2 PRO A 103 8.048 10.753 6.573 1.00 0.00 H new ATOM 0 HB3 PRO A 103 9.055 10.581 5.148 1.00 0.00 H new ATOM 0 HG2 PRO A 103 6.520 12.171 5.495 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.002 12.627 4.678 1.00 0.00 H new ATOM 0 HD2 PRO A 103 5.820 11.760 3.297 1.00 0.00 H new ATOM 0 HD3 PRO A 103 7.448 11.448 2.726 1.00 0.00 H new ATOM 515 N VAL A 104 5.789 7.790 6.164 1.00 0.00 N ATOM 516 CA VAL A 104 4.819 7.315 7.143 1.00 0.00 C ATOM 517 C VAL A 104 5.253 7.665 8.562 1.00 0.00 C ATOM 518 O VAL A 104 6.447 7.727 8.859 1.00 0.00 O ATOM 519 CB VAL A 104 4.618 5.792 7.041 1.00 0.00 C ATOM 520 CG1 VAL A 104 3.745 5.290 8.181 1.00 0.00 C ATOM 521 CG2 VAL A 104 4.013 5.424 5.694 1.00 0.00 C ATOM 0 H VAL A 104 6.115 7.076 5.513 1.00 0.00 H new ATOM 0 HA VAL A 104 3.876 7.814 6.921 1.00 0.00 H new ATOM 0 HB VAL A 104 5.592 5.309 7.121 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.614 4.212 8.092 1.00 0.00 H new ATOM 0 HG12 VAL A 104 4.223 5.520 9.133 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.772 5.778 8.136 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.878 4.344 5.639 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.047 5.917 5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.680 5.747 4.895 1.00 0.00 H new ATOM 531 N ILE A 105 4.278 7.894 9.434 1.00 0.00 N ATOM 532 CA ILE A 105 4.559 8.236 10.823 1.00 0.00 C ATOM 533 C ILE A 105 4.408 7.020 11.730 1.00 0.00 C ATOM 534 O ILE A 105 5.363 6.596 12.379 1.00 0.00 O ATOM 535 CB ILE A 105 3.631 9.357 11.326 1.00 0.00 C ATOM 536 CG1 ILE A 105 3.681 10.556 10.376 1.00 0.00 C ATOM 537 CG2 ILE A 105 4.021 9.775 12.736 1.00 0.00 C ATOM 538 CD1 ILE A 105 2.986 11.785 10.917 1.00 0.00 C ATOM 0 H ILE A 105 3.285 7.849 9.203 1.00 0.00 H new ATOM 0 HA ILE A 105 5.590 8.587 10.859 1.00 0.00 H new ATOM 0 HB ILE A 105 2.609 8.979 11.350 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.722 10.800 10.167 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.222 10.277 9.427 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.356 10.568 13.077 1.00 0.00 H new ATOM 0 HG22 ILE A 105 3.938 8.919 13.405 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.049 10.138 12.737 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.061 12.595 10.191 1.00 0.00 H new ATOM 0 HD12 ILE A 105 1.936 11.558 11.100 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.459 12.089 11.850 1.00 0.00 H new ATOM 550 N GLU A 106 3.201 6.464 11.769 1.00 0.00 N ATOM 551 CA GLU A 106 2.926 5.295 12.597 1.00 0.00 C ATOM 552 C GLU A 106 1.836 4.430 11.970 1.00 0.00 C ATOM 553 O GLU A 106 0.722 4.894 11.727 1.00 0.00 O ATOM 554 CB GLU A 106 2.503 5.727 14.003 1.00 0.00 C ATOM 555 CG GLU A 106 3.667 5.877 14.968 1.00 0.00 C ATOM 556 CD GLU A 106 4.044 4.569 15.636 1.00 0.00 C ATOM 557 OE1 GLU A 106 4.346 3.599 14.909 1.00 0.00 O ATOM 558 OE2 GLU A 106 4.036 4.515 16.883 1.00 0.00 O ATOM 0 H GLU A 106 2.399 6.803 11.238 1.00 0.00 H new ATOM 0 HA GLU A 106 3.840 4.706 12.665 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.971 6.676 13.938 1.00 0.00 H new ATOM 0 HB3 GLU A 106 1.802 4.995 14.404 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.531 6.268 14.431 1.00 0.00 H new ATOM 0 HG3 GLU A 106 3.408 6.610 15.732 1.00 0.00 H new ATOM 565 N CYS A 107 2.167 3.169 11.711 1.00 0.00 N ATOM 566 CA CYS A 107 1.218 2.238 11.111 1.00 0.00 C ATOM 567 C CYS A 107 0.791 1.174 12.117 1.00 0.00 C ATOM 568 O CYS A 107 1.608 0.674 12.891 1.00 0.00 O ATOM 569 CB CYS A 107 1.834 1.574 9.878 1.00 0.00 C ATOM 570 SG CYS A 107 0.802 0.285 9.142 1.00 0.00 S ATOM 0 H CYS A 107 3.084 2.769 11.907 1.00 0.00 H new ATOM 0 HA CYS A 107 0.335 2.801 10.808 1.00 0.00 H new ATOM 0 HB2 CYS A 107 2.032 2.339 9.127 1.00 0.00 H new ATOM 0 HB3 CYS A 107 2.796 1.141 10.154 1.00 0.00 H new ATOM 0 HG CYS A 107 1.172 0.083 7.912 1.00 0.00 H new ATOM 576 N ASP A 108 -0.493 0.835 12.101 1.00 0.00 N ATOM 577 CA ASP A 108 -1.030 -0.170 13.013 1.00 0.00 C ATOM 578 C ASP A 108 -2.032 -1.071 12.299 1.00 0.00 C ATOM 579 O ASP A 108 -2.959 -0.591 11.646 1.00 0.00 O ATOM 580 CB ASP A 108 -1.696 0.504 14.213 1.00 0.00 C ATOM 581 CG ASP A 108 -0.724 0.754 15.350 1.00 0.00 C ATOM 582 OD1 ASP A 108 0.041 1.737 15.271 1.00 0.00 O ATOM 583 OD2 ASP A 108 -0.729 -0.035 16.319 1.00 0.00 O ATOM 0 H ASP A 108 -1.182 1.241 11.467 1.00 0.00 H new ATOM 0 HA ASP A 108 -0.202 -0.785 13.365 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.133 1.451 13.898 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.514 -0.122 14.569 1.00 0.00 H new ATOM 588 N ILE A 109 -1.838 -2.380 12.427 1.00 0.00 N ATOM 589 CA ILE A 109 -2.725 -3.348 11.794 1.00 0.00 C ATOM 590 C ILE A 109 -3.832 -3.785 12.747 1.00 0.00 C ATOM 591 O ILE A 109 -3.631 -3.849 13.960 1.00 0.00 O ATOM 592 CB ILE A 109 -1.952 -4.592 11.317 1.00 0.00 C ATOM 593 CG1 ILE A 109 -1.105 -4.252 10.089 1.00 0.00 C ATOM 594 CG2 ILE A 109 -2.916 -5.727 11.004 1.00 0.00 C ATOM 595 CD1 ILE A 109 0.019 -5.235 9.840 1.00 0.00 C ATOM 0 H ILE A 109 -1.075 -2.794 12.963 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.168 -2.852 10.930 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.286 -4.917 12.117 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.750 -4.219 9.211 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -0.684 -3.254 10.213 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.355 -6.599 10.668 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.481 -5.982 11.901 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.604 -5.414 10.219 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.578 -4.932 8.954 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.686 -5.251 10.702 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.396 -6.231 9.684 1.00 0.00 H new ATOM 607 N VAL A 110 -5.000 -4.089 12.190 1.00 0.00 N ATOM 608 CA VAL A 110 -6.138 -4.524 12.991 1.00 0.00 C ATOM 609 C VAL A 110 -6.742 -5.808 12.434 1.00 0.00 C ATOM 610 O VAL A 110 -6.346 -6.284 11.370 1.00 0.00 O ATOM 611 CB VAL A 110 -7.231 -3.439 13.049 1.00 0.00 C ATOM 612 CG1 VAL A 110 -8.151 -3.672 14.238 1.00 0.00 C ATOM 613 CG2 VAL A 110 -6.603 -2.055 13.113 1.00 0.00 C ATOM 0 H VAL A 110 -5.183 -4.042 11.188 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.765 -4.708 13.998 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.829 -3.500 12.140 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.917 -2.896 14.263 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.626 -4.648 14.144 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -7.570 -3.638 15.160 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.389 -1.300 13.153 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.980 -1.979 14.004 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.989 -1.893 12.227 1.00 0.00 H new ATOM 623 N LYS A 111 -7.704 -6.366 13.161 1.00 0.00 N ATOM 624 CA LYS A 111 -8.366 -7.596 12.741 1.00 0.00 C ATOM 625 C LYS A 111 -8.534 -7.633 11.226 1.00 0.00 C ATOM 626 O LYS A 111 -7.810 -8.344 10.529 1.00 0.00 O ATOM 627 CB LYS A 111 -9.732 -7.722 13.419 1.00 0.00 C ATOM 628 CG LYS A 111 -9.652 -8.160 14.872 1.00 0.00 C ATOM 629 CD LYS A 111 -10.881 -7.727 15.653 1.00 0.00 C ATOM 630 CE LYS A 111 -10.736 -6.306 16.178 1.00 0.00 C ATOM 631 NZ LYS A 111 -12.036 -5.753 16.648 1.00 0.00 N ATOM 0 H LYS A 111 -8.043 -5.986 14.045 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.740 -8.436 13.041 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -10.245 -6.762 13.365 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.339 -8.439 12.865 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -9.552 -9.244 14.921 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.759 -7.736 15.332 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -11.761 -7.792 15.013 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -11.042 -8.410 16.487 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -10.018 -6.293 16.998 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -10.333 -5.668 15.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -12.269 -4.901 16.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -12.783 -6.464 16.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -11.965 -5.507 17.656 1.00 0.00 H new ATOM 645 N ASP A 112 -9.491 -6.861 10.722 1.00 0.00 N ATOM 646 CA ASP A 112 -9.752 -6.804 9.288 1.00 0.00 C ATOM 647 C ASP A 112 -9.551 -5.389 8.756 1.00 0.00 C ATOM 648 O ASP A 112 -9.938 -5.078 7.629 1.00 0.00 O ATOM 649 CB ASP A 112 -11.175 -7.278 8.988 1.00 0.00 C ATOM 650 CG ASP A 112 -12.222 -6.263 9.401 1.00 0.00 C ATOM 651 OD1 ASP A 112 -12.308 -5.200 8.752 1.00 0.00 O ATOM 652 OD2 ASP A 112 -12.958 -6.533 10.374 1.00 0.00 O ATOM 0 H ASP A 112 -10.099 -6.266 11.285 1.00 0.00 H new ATOM 0 HA ASP A 112 -9.044 -7.465 8.788 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -11.270 -7.480 7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -11.359 -8.218 9.508 1.00 0.00 H new ATOM 657 N TYR A 113 -8.945 -4.535 9.573 1.00 0.00 N ATOM 658 CA TYR A 113 -8.695 -3.152 9.186 1.00 0.00 C ATOM 659 C TYR A 113 -7.318 -2.694 9.656 1.00 0.00 C ATOM 660 O TYR A 113 -6.555 -3.472 10.229 1.00 0.00 O ATOM 661 CB TYR A 113 -9.775 -2.236 9.765 1.00 0.00 C ATOM 662 CG TYR A 113 -10.269 -2.668 11.127 1.00 0.00 C ATOM 663 CD1 TYR A 113 -10.886 -3.900 11.305 1.00 0.00 C ATOM 664 CD2 TYR A 113 -10.119 -1.844 12.236 1.00 0.00 C ATOM 665 CE1 TYR A 113 -11.339 -4.298 12.548 1.00 0.00 C ATOM 666 CE2 TYR A 113 -10.568 -2.235 13.482 1.00 0.00 C ATOM 667 CZ TYR A 113 -11.178 -3.463 13.633 1.00 0.00 C ATOM 668 OH TYR A 113 -11.628 -3.855 14.873 1.00 0.00 O ATOM 0 H TYR A 113 -8.618 -4.777 10.508 1.00 0.00 H new ATOM 0 HA TYR A 113 -8.724 -3.095 8.098 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -9.380 -1.222 9.836 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -10.619 -2.202 9.076 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -11.014 -4.557 10.458 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -9.643 -0.881 12.121 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -11.817 -5.259 12.669 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -10.442 -1.583 14.334 1.00 0.00 H new ATOM 0 HH TYR A 113 -11.436 -3.152 15.528 1.00 0.00 H new ATOM 678 N ALA A 114 -7.007 -1.426 9.410 1.00 0.00 N ATOM 679 CA ALA A 114 -5.724 -0.862 9.809 1.00 0.00 C ATOM 680 C ALA A 114 -5.781 0.661 9.845 1.00 0.00 C ATOM 681 O ALA A 114 -6.821 1.260 9.573 1.00 0.00 O ATOM 682 CB ALA A 114 -4.626 -1.329 8.866 1.00 0.00 C ATOM 0 H ALA A 114 -7.627 -0.769 8.936 1.00 0.00 H new ATOM 0 HA ALA A 114 -5.498 -1.215 10.815 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.673 -0.900 9.176 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.560 -2.417 8.894 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.856 -1.006 7.851 1.00 0.00 H new ATOM 688 N PHE A 115 -4.656 1.283 10.183 1.00 0.00 N ATOM 689 CA PHE A 115 -4.578 2.737 10.256 1.00 0.00 C ATOM 690 C PHE A 115 -3.146 3.217 10.038 1.00 0.00 C ATOM 691 O PHE A 115 -2.247 2.899 10.816 1.00 0.00 O ATOM 692 CB PHE A 115 -5.092 3.229 11.611 1.00 0.00 C ATOM 693 CG PHE A 115 -6.484 2.764 11.929 1.00 0.00 C ATOM 694 CD1 PHE A 115 -6.709 1.483 12.408 1.00 0.00 C ATOM 695 CD2 PHE A 115 -7.569 3.607 11.749 1.00 0.00 C ATOM 696 CE1 PHE A 115 -7.989 1.053 12.700 1.00 0.00 C ATOM 697 CE2 PHE A 115 -8.851 3.182 12.040 1.00 0.00 C ATOM 698 CZ PHE A 115 -9.061 1.903 12.517 1.00 0.00 C ATOM 0 H PHE A 115 -3.786 0.802 10.411 1.00 0.00 H new ATOM 0 HA PHE A 115 -5.205 3.149 9.465 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -4.415 2.886 12.394 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -5.069 4.319 11.625 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -5.874 0.813 12.555 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -7.411 4.608 11.377 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.151 0.052 13.071 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -9.688 3.849 11.895 1.00 0.00 H new ATOM 0 HZ PHE A 115 -10.062 1.569 12.746 1.00 0.00 H new ATOM 708 N VAL A 116 -2.942 3.985 8.972 1.00 0.00 N ATOM 709 CA VAL A 116 -1.620 4.510 8.650 1.00 0.00 C ATOM 710 C VAL A 116 -1.555 6.015 8.883 1.00 0.00 C ATOM 711 O VAL A 116 -2.212 6.791 8.187 1.00 0.00 O ATOM 712 CB VAL A 116 -1.238 4.211 7.188 1.00 0.00 C ATOM 713 CG1 VAL A 116 0.111 4.828 6.852 1.00 0.00 C ATOM 714 CG2 VAL A 116 -1.224 2.710 6.939 1.00 0.00 C ATOM 0 H VAL A 116 -3.675 4.257 8.317 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.912 4.012 9.312 1.00 0.00 H new ATOM 0 HB VAL A 116 -1.988 4.658 6.535 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.364 4.606 5.815 1.00 0.00 H new ATOM 0 HG12 VAL A 116 0.062 5.908 6.991 1.00 0.00 H new ATOM 0 HG13 VAL A 116 0.875 4.412 7.509 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -0.952 2.516 5.901 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.496 2.238 7.599 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -2.214 2.299 7.138 1.00 0.00 H new ATOM 724 N HIS A 117 -0.759 6.423 9.866 1.00 0.00 N ATOM 725 CA HIS A 117 -0.607 7.837 10.190 1.00 0.00 C ATOM 726 C HIS A 117 0.417 8.498 9.272 1.00 0.00 C ATOM 727 O HIS A 117 1.619 8.263 9.396 1.00 0.00 O ATOM 728 CB HIS A 117 -0.184 8.004 11.650 1.00 0.00 C ATOM 729 CG HIS A 117 -0.641 9.292 12.262 1.00 0.00 C ATOM 730 ND1 HIS A 117 -1.169 9.376 13.533 1.00 0.00 N ATOM 731 CD2 HIS A 117 -0.646 10.554 11.771 1.00 0.00 C ATOM 732 CE1 HIS A 117 -1.480 10.632 13.797 1.00 0.00 C ATOM 733 NE2 HIS A 117 -1.172 11.368 12.743 1.00 0.00 N ATOM 0 H HIS A 117 -0.209 5.795 10.452 1.00 0.00 H new ATOM 0 HA HIS A 117 -1.570 8.325 10.040 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -0.582 7.173 12.232 1.00 0.00 H new ATOM 0 HB3 HIS A 117 0.903 7.946 11.714 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -0.300 10.863 10.796 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -1.912 10.996 14.717 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -1.304 12.376 12.665 1.00 0.00 H new ATOM 742 N MET A 118 -0.067 9.324 8.351 1.00 0.00 N ATOM 743 CA MET A 118 0.807 10.019 7.413 1.00 0.00 C ATOM 744 C MET A 118 1.232 11.375 7.968 1.00 0.00 C ATOM 745 O MET A 118 0.700 11.836 8.977 1.00 0.00 O ATOM 746 CB MET A 118 0.102 10.204 6.068 1.00 0.00 C ATOM 747 CG MET A 118 0.238 9.007 5.141 1.00 0.00 C ATOM 748 SD MET A 118 1.958 8.571 4.819 1.00 0.00 S ATOM 749 CE MET A 118 1.867 8.082 3.098 1.00 0.00 C ATOM 0 H MET A 118 -1.059 9.529 8.234 1.00 0.00 H new ATOM 0 HA MET A 118 1.699 9.410 7.267 1.00 0.00 H new ATOM 0 HB2 MET A 118 -0.956 10.398 6.245 1.00 0.00 H new ATOM 0 HB3 MET A 118 0.509 11.085 5.572 1.00 0.00 H new ATOM 0 HG2 MET A 118 -0.274 8.151 5.581 1.00 0.00 H new ATOM 0 HG3 MET A 118 -0.261 9.225 4.197 1.00 0.00 H new ATOM 0 HE1 MET A 118 2.873 7.920 2.712 1.00 0.00 H new ATOM 0 HE2 MET A 118 1.293 7.160 3.012 1.00 0.00 H new ATOM 0 HE3 MET A 118 1.379 8.868 2.522 1.00 0.00 H new ATOM 759 N GLU A 119 2.193 12.007 7.302 1.00 0.00 N ATOM 760 CA GLU A 119 2.689 13.309 7.731 1.00 0.00 C ATOM 761 C GLU A 119 2.124 14.423 6.854 1.00 0.00 C ATOM 762 O GLU A 119 1.493 15.357 7.348 1.00 0.00 O ATOM 763 CB GLU A 119 4.218 13.337 7.686 1.00 0.00 C ATOM 764 CG GLU A 119 4.825 14.549 8.373 1.00 0.00 C ATOM 765 CD GLU A 119 5.103 14.308 9.844 1.00 0.00 C ATOM 766 OE1 GLU A 119 5.836 13.348 10.160 1.00 0.00 O ATOM 767 OE2 GLU A 119 4.588 15.081 10.679 1.00 0.00 O ATOM 0 H GLU A 119 2.643 11.639 6.464 1.00 0.00 H new ATOM 0 HA GLU A 119 2.359 13.474 8.757 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.604 12.432 8.156 1.00 0.00 H new ATOM 0 HB3 GLU A 119 4.543 13.319 6.646 1.00 0.00 H new ATOM 0 HG2 GLU A 119 5.754 14.819 7.871 1.00 0.00 H new ATOM 0 HG3 GLU A 119 4.149 15.397 8.269 1.00 0.00 H new ATOM 774 N ARG A 120 2.355 14.315 5.549 1.00 0.00 N ATOM 775 CA ARG A 120 1.871 15.313 4.603 1.00 0.00 C ATOM 776 C ARG A 120 0.649 14.798 3.847 1.00 0.00 C ATOM 777 O ARG A 120 0.631 13.660 3.380 1.00 0.00 O ATOM 778 CB ARG A 120 2.976 15.688 3.614 1.00 0.00 C ATOM 779 CG ARG A 120 4.244 16.194 4.280 1.00 0.00 C ATOM 780 CD ARG A 120 5.430 16.146 3.330 1.00 0.00 C ATOM 781 NE ARG A 120 6.462 17.113 3.694 1.00 0.00 N ATOM 782 CZ ARG A 120 6.445 18.385 3.311 1.00 0.00 C ATOM 783 NH1 ARG A 120 5.454 18.841 2.557 1.00 0.00 N ATOM 784 NH2 ARG A 120 7.420 19.205 3.682 1.00 0.00 N ATOM 0 H ARG A 120 2.874 13.547 5.124 1.00 0.00 H new ATOM 0 HA ARG A 120 1.581 16.200 5.166 1.00 0.00 H new ATOM 0 HB2 ARG A 120 3.218 14.817 3.006 1.00 0.00 H new ATOM 0 HB3 ARG A 120 2.601 16.455 2.937 1.00 0.00 H new ATOM 0 HG2 ARG A 120 4.092 17.217 4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 120 4.458 15.591 5.162 1.00 0.00 H new ATOM 0 HD2 ARG A 120 5.856 15.143 3.333 1.00 0.00 H new ATOM 0 HD3 ARG A 120 5.089 16.345 2.314 1.00 0.00 H new ATOM 0 HE ARG A 120 7.238 16.794 4.274 1.00 0.00 H new ATOM 0 HH11 ARG A 120 4.702 18.215 2.270 1.00 0.00 H new ATOM 0 HH12 ARG A 120 5.444 19.818 2.265 1.00 0.00 H new ATOM 0 HH21 ARG A 120 8.184 18.859 4.262 1.00 0.00 H new ATOM 0 HH22 ARG A 120 7.405 20.181 3.387 1.00 0.00 H new ATOM 798 N ALA A 121 -0.369 15.644 3.731 1.00 0.00 N ATOM 799 CA ALA A 121 -1.593 15.275 3.031 1.00 0.00 C ATOM 800 C ALA A 121 -1.295 14.822 1.606 1.00 0.00 C ATOM 801 O ALA A 121 -1.741 13.759 1.178 1.00 0.00 O ATOM 802 CB ALA A 121 -2.569 16.443 3.023 1.00 0.00 C ATOM 0 H ALA A 121 -0.370 16.590 4.113 1.00 0.00 H new ATOM 0 HA ALA A 121 -2.048 14.439 3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.479 16.153 2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.815 16.719 4.048 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.113 17.295 2.518 1.00 0.00 H new ATOM 808 N GLU A 122 -0.540 15.638 0.877 1.00 0.00 N ATOM 809 CA GLU A 122 -0.184 15.320 -0.501 1.00 0.00 C ATOM 810 C GLU A 122 0.161 13.841 -0.647 1.00 0.00 C ATOM 811 O GLU A 122 -0.133 13.222 -1.670 1.00 0.00 O ATOM 812 CB GLU A 122 0.997 16.179 -0.958 1.00 0.00 C ATOM 813 CG GLU A 122 0.768 17.671 -0.785 1.00 0.00 C ATOM 814 CD GLU A 122 1.689 18.506 -1.653 1.00 0.00 C ATOM 815 OE1 GLU A 122 2.873 18.134 -1.793 1.00 0.00 O ATOM 816 OE2 GLU A 122 1.226 19.533 -2.192 1.00 0.00 O ATOM 0 H GLU A 122 -0.164 16.523 1.217 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.047 15.537 -1.131 1.00 0.00 H new ATOM 0 HB2 GLU A 122 1.885 15.889 -0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 122 1.202 15.971 -2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -0.268 17.907 -1.029 1.00 0.00 H new ATOM 0 HG3 GLU A 122 0.918 17.939 0.261 1.00 0.00 H new ATOM 823 N ASP A 123 0.788 13.282 0.382 1.00 0.00 N ATOM 824 CA ASP A 123 1.174 11.876 0.370 1.00 0.00 C ATOM 825 C ASP A 123 0.014 10.990 0.816 1.00 0.00 C ATOM 826 O ASP A 123 -0.231 9.933 0.236 1.00 0.00 O ATOM 827 CB ASP A 123 2.383 11.649 1.278 1.00 0.00 C ATOM 828 CG ASP A 123 3.668 12.181 0.675 1.00 0.00 C ATOM 829 OD1 ASP A 123 3.774 12.204 -0.568 1.00 0.00 O ATOM 830 OD2 ASP A 123 4.568 12.575 1.447 1.00 0.00 O ATOM 0 H ASP A 123 1.040 13.781 1.235 1.00 0.00 H new ATOM 0 HA ASP A 123 1.441 11.607 -0.652 1.00 0.00 H new ATOM 0 HB2 ASP A 123 2.208 12.133 2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 123 2.491 10.582 1.474 1.00 0.00 H new ATOM 835 N ALA A 124 -0.696 11.429 1.850 1.00 0.00 N ATOM 836 CA ALA A 124 -1.830 10.677 2.373 1.00 0.00 C ATOM 837 C ALA A 124 -2.898 10.480 1.303 1.00 0.00 C ATOM 838 O ALA A 124 -3.320 9.355 1.033 1.00 0.00 O ATOM 839 CB ALA A 124 -2.418 11.385 3.584 1.00 0.00 C ATOM 0 H ALA A 124 -0.506 12.302 2.342 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.473 9.693 2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.264 10.813 3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -1.658 11.469 4.361 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.754 12.381 3.296 1.00 0.00 H new ATOM 845 N VAL A 125 -3.331 11.580 0.695 1.00 0.00 N ATOM 846 CA VAL A 125 -4.350 11.527 -0.346 1.00 0.00 C ATOM 847 C VAL A 125 -3.951 10.561 -1.457 1.00 0.00 C ATOM 848 O VAL A 125 -4.770 9.776 -1.933 1.00 0.00 O ATOM 849 CB VAL A 125 -4.601 12.919 -0.957 1.00 0.00 C ATOM 850 CG1 VAL A 125 -5.498 12.811 -2.180 1.00 0.00 C ATOM 851 CG2 VAL A 125 -5.207 13.853 0.079 1.00 0.00 C ATOM 0 H VAL A 125 -2.992 12.519 0.906 1.00 0.00 H new ATOM 0 HA VAL A 125 -5.267 11.175 0.126 1.00 0.00 H new ATOM 0 HB VAL A 125 -3.645 13.336 -1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -5.664 13.804 -2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -5.020 12.178 -2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -6.454 12.374 -1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -5.378 14.832 -0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -6.155 13.443 0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -4.523 13.954 0.922 1.00 0.00 H new ATOM 861 N GLU A 126 -2.687 10.625 -1.864 1.00 0.00 N ATOM 862 CA GLU A 126 -2.180 9.756 -2.919 1.00 0.00 C ATOM 863 C GLU A 126 -2.181 8.298 -2.470 1.00 0.00 C ATOM 864 O GLU A 126 -2.713 7.426 -3.157 1.00 0.00 O ATOM 865 CB GLU A 126 -0.765 10.176 -3.321 1.00 0.00 C ATOM 866 CG GLU A 126 -0.727 11.380 -4.248 1.00 0.00 C ATOM 867 CD GLU A 126 0.577 11.485 -5.014 1.00 0.00 C ATOM 868 OE1 GLU A 126 1.577 11.944 -4.423 1.00 0.00 O ATOM 869 OE2 GLU A 126 0.597 11.109 -6.205 1.00 0.00 O ATOM 0 H GLU A 126 -1.996 11.269 -1.479 1.00 0.00 H new ATOM 0 HA GLU A 126 -2.839 9.853 -3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -0.193 10.403 -2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -0.271 9.336 -3.810 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -1.555 11.316 -4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -0.875 12.288 -3.664 1.00 0.00 H new ATOM 876 N ALA A 127 -1.581 8.041 -1.312 1.00 0.00 N ATOM 877 CA ALA A 127 -1.514 6.689 -0.770 1.00 0.00 C ATOM 878 C ALA A 127 -2.860 5.983 -0.888 1.00 0.00 C ATOM 879 O ALA A 127 -2.922 4.756 -0.977 1.00 0.00 O ATOM 880 CB ALA A 127 -1.060 6.725 0.682 1.00 0.00 C ATOM 0 H ALA A 127 -1.135 8.751 -0.731 1.00 0.00 H new ATOM 0 HA ALA A 127 -0.786 6.126 -1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -1.014 5.709 1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -0.072 7.182 0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -1.768 7.309 1.270 1.00 0.00 H new ATOM 886 N ILE A 128 -3.935 6.764 -0.887 1.00 0.00 N ATOM 887 CA ILE A 128 -5.280 6.212 -0.995 1.00 0.00 C ATOM 888 C ILE A 128 -5.644 5.930 -2.449 1.00 0.00 C ATOM 889 O ILE A 128 -5.875 4.783 -2.830 1.00 0.00 O ATOM 890 CB ILE A 128 -6.329 7.163 -0.390 1.00 0.00 C ATOM 891 CG1 ILE A 128 -6.181 7.219 1.132 1.00 0.00 C ATOM 892 CG2 ILE A 128 -7.732 6.719 -0.775 1.00 0.00 C ATOM 893 CD1 ILE A 128 -6.820 8.439 1.757 1.00 0.00 C ATOM 0 H ILE A 128 -3.901 7.781 -0.813 1.00 0.00 H new ATOM 0 HA ILE A 128 -5.283 5.277 -0.435 1.00 0.00 H new ATOM 0 HB ILE A 128 -6.164 8.164 -0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -6.626 6.323 1.565 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -5.121 7.203 1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -8.462 7.401 -0.340 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -7.831 6.726 -1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -7.910 5.711 -0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -6.676 8.412 2.837 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -6.358 9.339 1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -7.887 8.446 1.533 1.00 0.00 H new ATOM 905 N ARG A 129 -5.691 6.985 -3.256 1.00 0.00 N ATOM 906 CA ARG A 129 -6.026 6.851 -4.669 1.00 0.00 C ATOM 907 C ARG A 129 -5.225 5.724 -5.313 1.00 0.00 C ATOM 908 O ARG A 129 -5.607 5.194 -6.356 1.00 0.00 O ATOM 909 CB ARG A 129 -5.761 8.166 -5.404 1.00 0.00 C ATOM 910 CG ARG A 129 -6.668 8.387 -6.603 1.00 0.00 C ATOM 911 CD ARG A 129 -6.472 9.770 -7.203 1.00 0.00 C ATOM 912 NE ARG A 129 -6.987 9.854 -8.567 1.00 0.00 N ATOM 913 CZ ARG A 129 -6.322 9.420 -9.632 1.00 0.00 C ATOM 914 NH1 ARG A 129 -5.122 8.875 -9.491 1.00 0.00 N ATOM 915 NH2 ARG A 129 -6.857 9.531 -10.841 1.00 0.00 N ATOM 0 H ARG A 129 -5.502 7.941 -2.956 1.00 0.00 H new ATOM 0 HA ARG A 129 -7.086 6.608 -4.745 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.887 8.994 -4.706 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -4.723 8.184 -5.736 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -6.464 7.629 -7.359 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -7.708 8.264 -6.301 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -6.974 10.510 -6.580 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -5.411 10.019 -7.200 1.00 0.00 H new ATOM 0 HE ARG A 129 -7.908 10.269 -8.710 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -4.707 8.788 -8.563 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -4.613 8.543 -10.310 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -7.780 9.950 -10.954 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -6.345 9.197 -11.658 1.00 0.00 H new ATOM 929 N GLY A 130 -4.110 5.363 -4.685 1.00 0.00 N ATOM 930 CA GLY A 130 -3.271 4.302 -5.212 1.00 0.00 C ATOM 931 C GLY A 130 -3.519 2.973 -4.526 1.00 0.00 C ATOM 932 O GLY A 130 -3.693 1.948 -5.187 1.00 0.00 O ATOM 0 H GLY A 130 -3.773 5.786 -3.821 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -3.454 4.195 -6.281 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -2.223 4.579 -5.094 1.00 0.00 H new ATOM 936 N LEU A 131 -3.532 2.989 -3.198 1.00 0.00 N ATOM 937 CA LEU A 131 -3.758 1.775 -2.421 1.00 0.00 C ATOM 938 C LEU A 131 -5.250 1.495 -2.269 1.00 0.00 C ATOM 939 O LEU A 131 -5.648 0.535 -1.609 1.00 0.00 O ATOM 940 CB LEU A 131 -3.108 1.899 -1.042 1.00 0.00 C ATOM 941 CG LEU A 131 -1.621 2.254 -1.031 1.00 0.00 C ATOM 942 CD1 LEU A 131 -1.121 2.415 0.396 1.00 0.00 C ATOM 943 CD2 LEU A 131 -0.814 1.192 -1.764 1.00 0.00 C ATOM 0 H LEU A 131 -3.389 3.829 -2.637 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.303 0.942 -2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -3.647 2.659 -0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -3.240 0.955 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.490 3.204 -1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -0.061 2.668 0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -1.678 3.212 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.265 1.481 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.242 1.461 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.951 0.228 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.154 1.125 -2.797 1.00 0.00 H new ATOM 955 N ASP A 132 -6.070 2.339 -2.886 1.00 0.00 N ATOM 956 CA ASP A 132 -7.519 2.181 -2.822 1.00 0.00 C ATOM 957 C ASP A 132 -7.976 1.008 -3.684 1.00 0.00 C ATOM 958 O ASP A 132 -7.816 1.022 -4.903 1.00 0.00 O ATOM 959 CB ASP A 132 -8.214 3.465 -3.277 1.00 0.00 C ATOM 960 CG ASP A 132 -9.669 3.240 -3.636 1.00 0.00 C ATOM 961 OD1 ASP A 132 -10.485 3.045 -2.711 1.00 0.00 O ATOM 962 OD2 ASP A 132 -9.993 3.258 -4.842 1.00 0.00 O ATOM 0 H ASP A 132 -5.757 3.139 -3.436 1.00 0.00 H new ATOM 0 HA ASP A 132 -7.792 1.976 -1.787 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -8.150 4.210 -2.484 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -7.689 3.873 -4.141 1.00 0.00 H new ATOM 967 N ASN A 133 -8.545 -0.006 -3.040 1.00 0.00 N ATOM 968 CA ASN A 133 -9.024 -1.188 -3.748 1.00 0.00 C ATOM 969 C ASN A 133 -7.873 -1.912 -4.439 1.00 0.00 C ATOM 970 O ASN A 133 -7.957 -2.250 -5.620 1.00 0.00 O ATOM 971 CB ASN A 133 -10.086 -0.796 -4.777 1.00 0.00 C ATOM 972 CG ASN A 133 -11.474 -0.706 -4.170 1.00 0.00 C ATOM 973 OD1 ASN A 133 -12.098 -1.723 -3.868 1.00 0.00 O ATOM 974 ND2 ASN A 133 -11.962 0.515 -3.989 1.00 0.00 N ATOM 0 H ASN A 133 -8.686 -0.033 -2.030 1.00 0.00 H new ATOM 0 HA ASN A 133 -9.468 -1.864 -3.017 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -9.823 0.165 -5.219 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -10.092 -1.527 -5.585 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -12.890 0.638 -3.585 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -11.409 1.330 -4.254 1.00 0.00 H new ATOM 981 N THR A 134 -6.797 -2.148 -3.695 1.00 0.00 N ATOM 982 CA THR A 134 -5.628 -2.831 -4.235 1.00 0.00 C ATOM 983 C THR A 134 -5.396 -4.163 -3.531 1.00 0.00 C ATOM 984 O THR A 134 -5.279 -4.215 -2.307 1.00 0.00 O ATOM 985 CB THR A 134 -4.361 -1.965 -4.104 1.00 0.00 C ATOM 986 OG1 THR A 134 -4.201 -1.533 -2.748 1.00 0.00 O ATOM 987 CG2 THR A 134 -4.435 -0.754 -5.022 1.00 0.00 C ATOM 0 H THR A 134 -6.711 -1.876 -2.716 1.00 0.00 H new ATOM 0 HA THR A 134 -5.827 -3.012 -5.291 1.00 0.00 H new ATOM 0 HB THR A 134 -3.503 -2.570 -4.396 1.00 0.00 H new ATOM 0 HG1 THR A 134 -4.916 -0.904 -2.519 1.00 0.00 H new ATOM 0 HG21 THR A 134 -3.529 -0.158 -4.912 1.00 0.00 H new ATOM 0 HG22 THR A 134 -4.527 -1.086 -6.056 1.00 0.00 H new ATOM 0 HG23 THR A 134 -5.302 -0.149 -4.757 1.00 0.00 H new ATOM 995 N GLU A 135 -5.328 -5.236 -4.312 1.00 0.00 N ATOM 996 CA GLU A 135 -5.109 -6.568 -3.762 1.00 0.00 C ATOM 997 C GLU A 135 -3.868 -6.593 -2.874 1.00 0.00 C ATOM 998 O GLU A 135 -2.742 -6.671 -3.365 1.00 0.00 O ATOM 999 CB GLU A 135 -4.964 -7.593 -4.889 1.00 0.00 C ATOM 1000 CG GLU A 135 -4.929 -9.032 -4.403 1.00 0.00 C ATOM 1001 CD GLU A 135 -4.647 -10.018 -5.519 1.00 0.00 C ATOM 1002 OE1 GLU A 135 -5.429 -10.052 -6.492 1.00 0.00 O ATOM 1003 OE2 GLU A 135 -3.645 -10.756 -5.420 1.00 0.00 O ATOM 0 H GLU A 135 -5.421 -5.209 -5.327 1.00 0.00 H new ATOM 0 HA GLU A 135 -5.975 -6.828 -3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -5.794 -7.474 -5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -4.049 -7.383 -5.444 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -4.165 -9.133 -3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -5.884 -9.278 -3.939 1.00 0.00 H new ATOM 1010 N PHE A 136 -4.083 -6.525 -1.564 1.00 0.00 N ATOM 1011 CA PHE A 136 -2.983 -6.537 -0.607 1.00 0.00 C ATOM 1012 C PHE A 136 -2.951 -7.852 0.167 1.00 0.00 C ATOM 1013 O PHE A 136 -3.967 -8.293 0.702 1.00 0.00 O ATOM 1014 CB PHE A 136 -3.112 -5.363 0.365 1.00 0.00 C ATOM 1015 CG PHE A 136 -1.936 -5.218 1.288 1.00 0.00 C ATOM 1016 CD1 PHE A 136 -0.642 -5.268 0.796 1.00 0.00 C ATOM 1017 CD2 PHE A 136 -2.125 -5.031 2.648 1.00 0.00 C ATOM 1018 CE1 PHE A 136 0.442 -5.135 1.644 1.00 0.00 C ATOM 1019 CE2 PHE A 136 -1.045 -4.897 3.501 1.00 0.00 C ATOM 1020 CZ PHE A 136 0.240 -4.948 2.997 1.00 0.00 C ATOM 0 H PHE A 136 -5.009 -6.461 -1.141 1.00 0.00 H new ATOM 0 HA PHE A 136 -2.050 -6.439 -1.162 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.233 -4.442 -0.205 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -4.017 -5.491 0.959 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -0.478 -5.412 -0.262 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -3.128 -4.989 3.046 1.00 0.00 H new ATOM 0 HE1 PHE A 136 1.446 -5.177 1.248 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -1.206 -4.753 4.559 1.00 0.00 H new ATOM 0 HZ PHE A 136 1.086 -4.842 3.660 1.00 0.00 H new ATOM 1030 N GLN A 137 -1.776 -8.471 0.220 1.00 0.00 N ATOM 1031 CA GLN A 137 -1.611 -9.736 0.927 1.00 0.00 C ATOM 1032 C GLN A 137 -2.576 -10.789 0.391 1.00 0.00 C ATOM 1033 O GLN A 137 -2.944 -11.726 1.098 1.00 0.00 O ATOM 1034 CB GLN A 137 -1.836 -9.539 2.427 1.00 0.00 C ATOM 1035 CG GLN A 137 -0.832 -8.597 3.073 1.00 0.00 C ATOM 1036 CD GLN A 137 0.485 -9.277 3.392 1.00 0.00 C ATOM 1037 OE1 GLN A 137 0.567 -10.504 3.441 1.00 0.00 O ATOM 1038 NE2 GLN A 137 1.525 -8.480 3.610 1.00 0.00 N ATOM 0 H GLN A 137 -0.925 -8.118 -0.218 1.00 0.00 H new ATOM 0 HA GLN A 137 -0.592 -10.085 0.762 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -2.842 -9.151 2.587 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -1.785 -10.508 2.924 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -0.649 -7.754 2.406 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -1.258 -8.191 3.990 1.00 0.00 H new ATOM 0 HE21 GLN A 137 1.411 -7.468 3.559 1.00 0.00 H new ATOM 0 HE22 GLN A 137 2.437 -8.880 3.828 1.00 0.00 H new ATOM 1047 N GLY A 138 -2.982 -10.628 -0.865 1.00 0.00 N ATOM 1048 CA GLY A 138 -3.901 -11.572 -1.474 1.00 0.00 C ATOM 1049 C GLY A 138 -5.318 -11.039 -1.545 1.00 0.00 C ATOM 1050 O GLY A 138 -6.041 -11.302 -2.506 1.00 0.00 O ATOM 0 H GLY A 138 -2.691 -9.861 -1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -3.556 -11.813 -2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -3.894 -12.501 -0.904 1.00 0.00 H new ATOM 1054 N LYS A 139 -5.718 -10.288 -0.524 1.00 0.00 N ATOM 1055 CA LYS A 139 -7.058 -9.717 -0.472 1.00 0.00 C ATOM 1056 C LYS A 139 -7.011 -8.203 -0.659 1.00 0.00 C ATOM 1057 O LYS A 139 -6.080 -7.540 -0.202 1.00 0.00 O ATOM 1058 CB LYS A 139 -7.728 -10.056 0.861 1.00 0.00 C ATOM 1059 CG LYS A 139 -6.786 -9.991 2.050 1.00 0.00 C ATOM 1060 CD LYS A 139 -7.521 -10.230 3.358 1.00 0.00 C ATOM 1061 CE LYS A 139 -7.671 -11.716 3.649 1.00 0.00 C ATOM 1062 NZ LYS A 139 -8.895 -12.004 4.447 1.00 0.00 N ATOM 0 H LYS A 139 -5.132 -10.061 0.279 1.00 0.00 H new ATOM 0 HA LYS A 139 -7.642 -10.149 -1.285 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -8.557 -9.367 1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 139 -8.153 -11.058 0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 139 -5.999 -10.736 1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 139 -6.300 -9.016 2.078 1.00 0.00 H new ATOM 0 HD2 LYS A 139 -6.979 -9.751 4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 139 -8.506 -9.766 3.313 1.00 0.00 H new ATOM 0 HE2 LYS A 139 -7.712 -12.268 2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 139 -6.793 -12.071 4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 -8.961 -13.027 4.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 -8.845 -11.498 5.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 -9.735 -11.689 3.921 1.00 0.00 H new ATOM 1076 N ARG A 140 -8.022 -7.664 -1.333 1.00 0.00 N ATOM 1077 CA ARG A 140 -8.096 -6.229 -1.580 1.00 0.00 C ATOM 1078 C ARG A 140 -8.604 -5.490 -0.345 1.00 0.00 C ATOM 1079 O ARG A 140 -9.569 -5.914 0.290 1.00 0.00 O ATOM 1080 CB ARG A 140 -9.011 -5.941 -2.771 1.00 0.00 C ATOM 1081 CG ARG A 140 -9.307 -4.464 -2.969 1.00 0.00 C ATOM 1082 CD ARG A 140 -10.141 -4.225 -4.218 1.00 0.00 C ATOM 1083 NE ARG A 140 -9.453 -4.664 -5.429 1.00 0.00 N ATOM 1084 CZ ARG A 140 -9.479 -5.914 -5.877 1.00 0.00 C ATOM 1085 NH1 ARG A 140 -10.157 -6.844 -5.218 1.00 0.00 N ATOM 1086 NH2 ARG A 140 -8.827 -6.237 -6.986 1.00 0.00 N ATOM 0 H ARG A 140 -8.801 -8.199 -1.717 1.00 0.00 H new ATOM 0 HA ARG A 140 -7.091 -5.873 -1.808 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -8.549 -6.335 -3.676 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -9.951 -6.476 -2.634 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -9.836 -4.078 -2.098 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -8.371 -3.911 -3.044 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -11.089 -4.755 -4.128 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -10.376 -3.164 -4.299 1.00 0.00 H new ATOM 0 HE ARG A 140 -8.923 -3.973 -5.960 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -10.660 -6.600 -4.365 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -10.175 -7.803 -5.564 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -8.305 -5.525 -7.496 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -8.848 -7.198 -7.329 1.00 0.00 H new ATOM 1100 N MET A 141 -7.946 -4.385 -0.011 1.00 0.00 N ATOM 1101 CA MET A 141 -8.332 -3.587 1.148 1.00 0.00 C ATOM 1102 C MET A 141 -8.797 -2.198 0.721 1.00 0.00 C ATOM 1103 O MET A 141 -8.307 -1.644 -0.264 1.00 0.00 O ATOM 1104 CB MET A 141 -7.160 -3.468 2.124 1.00 0.00 C ATOM 1105 CG MET A 141 -5.813 -3.300 1.440 1.00 0.00 C ATOM 1106 SD MET A 141 -5.642 -1.699 0.628 1.00 0.00 S ATOM 1107 CE MET A 141 -4.066 -1.154 1.282 1.00 0.00 C ATOM 0 H MET A 141 -7.144 -4.022 -0.525 1.00 0.00 H new ATOM 0 HA MET A 141 -9.161 -4.091 1.646 1.00 0.00 H new ATOM 0 HB2 MET A 141 -7.332 -2.617 2.783 1.00 0.00 H new ATOM 0 HB3 MET A 141 -7.130 -4.358 2.753 1.00 0.00 H new ATOM 0 HG2 MET A 141 -5.018 -3.416 2.177 1.00 0.00 H new ATOM 0 HG3 MET A 141 -5.682 -4.093 0.703 1.00 0.00 H new ATOM 0 HE1 MET A 141 -4.215 -0.268 1.899 1.00 0.00 H new ATOM 0 HE2 MET A 141 -3.629 -1.948 1.887 1.00 0.00 H new ATOM 0 HE3 MET A 141 -3.394 -0.914 0.458 1.00 0.00 H new ATOM 1117 N HIS A 142 -9.744 -1.641 1.468 1.00 0.00 N ATOM 1118 CA HIS A 142 -10.275 -0.316 1.167 1.00 0.00 C ATOM 1119 C HIS A 142 -9.566 0.754 1.993 1.00 0.00 C ATOM 1120 O HIS A 142 -9.606 0.730 3.223 1.00 0.00 O ATOM 1121 CB HIS A 142 -11.779 -0.272 1.437 1.00 0.00 C ATOM 1122 CG HIS A 142 -12.567 -1.225 0.592 1.00 0.00 C ATOM 1123 ND1 HIS A 142 -13.914 -1.070 0.339 1.00 0.00 N ATOM 1124 CD2 HIS A 142 -12.190 -2.350 -0.060 1.00 0.00 C ATOM 1125 CE1 HIS A 142 -14.331 -2.059 -0.431 1.00 0.00 C ATOM 1126 NE2 HIS A 142 -13.305 -2.849 -0.688 1.00 0.00 N ATOM 0 H HIS A 142 -10.160 -2.086 2.286 1.00 0.00 H new ATOM 0 HA HIS A 142 -10.097 -0.112 0.111 1.00 0.00 H new ATOM 0 HB2 HIS A 142 -11.958 -0.498 2.488 1.00 0.00 H new ATOM 0 HB3 HIS A 142 -12.142 0.741 1.262 1.00 0.00 H new ATOM 0 HD2 HIS A 142 -11.198 -2.776 -0.082 1.00 0.00 H new ATOM 0 HE1 HIS A 142 -15.340 -2.198 -0.790 1.00 0.00 H new ATOM 0 HE2 HIS A 142 -13.335 -3.693 -1.260 1.00 0.00 H new ATOM 1135 N VAL A 143 -8.918 1.690 1.308 1.00 0.00 N ATOM 1136 CA VAL A 143 -8.201 2.769 1.978 1.00 0.00 C ATOM 1137 C VAL A 143 -8.927 4.099 1.809 1.00 0.00 C ATOM 1138 O VAL A 143 -9.285 4.485 0.697 1.00 0.00 O ATOM 1139 CB VAL A 143 -6.765 2.908 1.438 1.00 0.00 C ATOM 1140 CG1 VAL A 143 -6.011 3.987 2.200 1.00 0.00 C ATOM 1141 CG2 VAL A 143 -6.034 1.576 1.519 1.00 0.00 C ATOM 0 H VAL A 143 -8.874 1.723 0.289 1.00 0.00 H new ATOM 0 HA VAL A 143 -8.160 2.513 3.037 1.00 0.00 H new ATOM 0 HB VAL A 143 -6.816 3.205 0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -4.999 4.071 1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -6.526 4.941 2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -5.967 3.723 3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -5.021 1.693 1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -5.991 1.247 2.557 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -6.565 0.833 0.924 1.00 0.00 H new ATOM 1151 N GLN A 144 -9.140 4.795 2.921 1.00 0.00 N ATOM 1152 CA GLN A 144 -9.824 6.083 2.896 1.00 0.00 C ATOM 1153 C GLN A 144 -9.392 6.951 4.074 1.00 0.00 C ATOM 1154 O GLN A 144 -8.584 6.533 4.904 1.00 0.00 O ATOM 1155 CB GLN A 144 -11.340 5.880 2.926 1.00 0.00 C ATOM 1156 CG GLN A 144 -11.839 5.205 4.193 1.00 0.00 C ATOM 1157 CD GLN A 144 -13.128 4.437 3.976 1.00 0.00 C ATOM 1158 OE1 GLN A 144 -13.121 3.211 3.860 1.00 0.00 O ATOM 1159 NE2 GLN A 144 -14.243 5.155 3.921 1.00 0.00 N ATOM 0 H GLN A 144 -8.849 4.489 3.850 1.00 0.00 H new ATOM 0 HA GLN A 144 -9.551 6.593 1.972 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -11.830 6.848 2.823 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -11.635 5.281 2.065 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -11.073 4.524 4.563 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -11.995 5.959 4.965 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -14.202 6.169 4.022 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -15.141 4.693 3.778 1.00 0.00 H new ATOM 1168 N LEU A 145 -9.936 8.161 4.140 1.00 0.00 N ATOM 1169 CA LEU A 145 -9.607 9.090 5.216 1.00 0.00 C ATOM 1170 C LEU A 145 -10.129 8.578 6.555 1.00 0.00 C ATOM 1171 O LEU A 145 -11.333 8.394 6.733 1.00 0.00 O ATOM 1172 CB LEU A 145 -10.193 10.471 4.921 1.00 0.00 C ATOM 1173 CG LEU A 145 -9.296 11.427 4.133 1.00 0.00 C ATOM 1174 CD1 LEU A 145 -8.055 11.780 4.938 1.00 0.00 C ATOM 1175 CD2 LEU A 145 -8.909 10.813 2.795 1.00 0.00 C ATOM 0 H LEU A 145 -10.607 8.522 3.462 1.00 0.00 H new ATOM 0 HA LEU A 145 -8.522 9.169 5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -11.123 10.338 4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -10.450 10.944 5.869 1.00 0.00 H new ATOM 0 HG LEU A 145 -9.853 12.344 3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -7.429 12.461 4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -8.351 12.261 5.871 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -7.495 10.872 5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -8.271 11.507 2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -8.370 9.881 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -9.809 10.611 2.213 1.00 0.00 H new