USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 855 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 104 SER OG : rot -77:sc= 1.31 USER MOD Set 1.2: A 111 GLN : amide:sc= 1 K(o=3.5,f=-3.5!) USER MOD Set 1.3: A 113 TYR OH : rot -32:sc= 1.21 USER MOD Set 2.1: A 80 HIS : no HD1:sc= -0.0823 K(o=0.42,f=-8.7!) USER MOD Set 2.2: A 129 HIS : no HD1:sc= -0.795 K(o=0.42,f=-5.8) USER MOD Set 2.3: A 145 SER OG : rot 102:sc= 1.3 USER MOD Set 3.1: A 50 LYS NZ :NH3+ 172:sc= 0.433 (180deg=0) USER MOD Set 3.2: A 115 ASN : amide:sc= -0.0596 K(o=0.37,f=-3.3) USER MOD Single : A 44 GLN : amide:sc= 0.7 K(o=0.7,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 149:sc= 1.24 (180deg=0.609) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 66 GLN : amide:sc= -3.77! C(o=-3.8!,f=-9.3!) USER MOD Single : A 67 CYS SG : rot 180:sc= 0.373 USER MOD Single : A 70 SER OG : rot -110:sc= -0.0549 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 75 GLN : amide:sc= -0.203 K(o=-0.2,f=-1.4) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0.0959 K(o=0.096,f=-8.4!) USER MOD Single : A 98 GLN : amide:sc= 0.205 X(o=0.21,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.15) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot 180:sc= -0.454 USER MOD Single : A 127 GLN : amide:sc= 0.276 X(o=0.28,f=0) USER MOD Single : A 128 MET CE :methyl -118:sc= -0.536 (180deg=-1.13) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ -142:sc= 0.54 (180deg=-0.216!) USER MOD Single : A 144 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.046) USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 42 -1.647 -3.600 -17.435 1.00 0.73 N ATOM 129 CA ALA A 42 -2.233 -2.553 -16.613 1.00 0.66 C ATOM 130 C ALA A 42 -3.711 -2.791 -16.263 1.00 0.59 C ATOM 131 O ALA A 42 -4.136 -2.400 -15.183 1.00 0.61 O ATOM 132 CB ALA A 42 -2.035 -1.226 -17.344 1.00 0.78 C ATOM 0 HA ALA A 42 -1.726 -2.546 -15.648 1.00 0.66 H new ATOM 0 HB1 ALA A 42 -2.465 -0.417 -16.753 1.00 0.78 H new ATOM 0 HB2 ALA A 42 -0.970 -1.045 -17.487 1.00 0.78 H new ATOM 0 HB3 ALA A 42 -2.529 -1.268 -18.315 1.00 0.78 H new ATOM 138 N GLU A 43 -4.507 -3.449 -17.110 1.00 0.60 N ATOM 139 CA GLU A 43 -5.909 -3.782 -16.792 1.00 0.61 C ATOM 140 C GLU A 43 -6.070 -4.928 -15.771 1.00 0.53 C ATOM 141 O GLU A 43 -7.096 -5.003 -15.091 1.00 0.54 O ATOM 142 CB GLU A 43 -6.700 -4.036 -18.078 1.00 0.77 C ATOM 143 CG GLU A 43 -6.267 -5.286 -18.846 1.00 0.91 C ATOM 144 CD GLU A 43 -7.026 -5.350 -20.170 1.00 1.85 C ATOM 145 OE1 GLU A 43 -6.553 -4.770 -21.183 1.00 2.19 O ATOM 146 OE2 GLU A 43 -8.107 -5.982 -20.214 1.00 3.18 O ATOM 0 H GLU A 43 -4.206 -3.767 -18.031 1.00 0.60 H new ATOM 0 HA GLU A 43 -6.329 -2.911 -16.289 1.00 0.61 H new ATOM 0 HB2 GLU A 43 -7.757 -4.125 -17.829 1.00 0.77 H new ATOM 0 HB3 GLU A 43 -6.598 -3.169 -18.731 1.00 0.77 H new ATOM 0 HG2 GLU A 43 -5.193 -5.261 -19.030 1.00 0.91 H new ATOM 0 HG3 GLU A 43 -6.468 -6.179 -18.254 1.00 0.91 H new ATOM 153 N GLN A 44 -5.056 -5.789 -15.622 1.00 0.49 N ATOM 154 CA GLN A 44 -4.975 -6.796 -14.558 1.00 0.46 C ATOM 155 C GLN A 44 -4.492 -6.157 -13.257 1.00 0.38 C ATOM 156 O GLN A 44 -5.138 -6.323 -12.226 1.00 0.40 O ATOM 157 CB GLN A 44 -4.030 -7.923 -15.003 1.00 0.53 C ATOM 158 CG GLN A 44 -3.553 -8.891 -13.899 1.00 0.59 C ATOM 159 CD GLN A 44 -4.639 -9.715 -13.203 1.00 0.73 C ATOM 160 OE1 GLN A 44 -4.870 -10.875 -13.512 1.00 1.10 O ATOM 161 NE2 GLN A 44 -5.340 -9.176 -12.229 1.00 0.76 N ATOM 0 H GLN A 44 -4.253 -5.805 -16.251 1.00 0.49 H new ATOM 0 HA GLN A 44 -5.964 -7.215 -14.374 1.00 0.46 H new ATOM 0 HB2 GLN A 44 -4.532 -8.506 -15.775 1.00 0.53 H new ATOM 0 HB3 GLN A 44 -3.152 -7.471 -15.465 1.00 0.53 H new ATOM 0 HG2 GLN A 44 -2.829 -9.579 -14.337 1.00 0.59 H new ATOM 0 HG3 GLN A 44 -3.025 -8.312 -13.141 1.00 0.59 H new ATOM 0 HE21 GLN A 44 -5.168 -8.210 -11.951 1.00 0.76 H new ATOM 0 HE22 GLN A 44 -6.056 -9.724 -11.752 1.00 0.76 H new ATOM 170 N LEU A 45 -3.377 -5.422 -13.282 1.00 0.34 N ATOM 171 CA LEU A 45 -2.842 -4.708 -12.118 1.00 0.30 C ATOM 172 C LEU A 45 -3.847 -3.697 -11.532 1.00 0.33 C ATOM 173 O LEU A 45 -3.939 -3.551 -10.317 1.00 0.37 O ATOM 174 CB LEU A 45 -1.560 -4.004 -12.563 1.00 0.31 C ATOM 175 CG LEU A 45 -0.288 -4.871 -12.640 1.00 0.35 C ATOM 176 CD1 LEU A 45 0.288 -5.080 -11.236 1.00 0.35 C ATOM 177 CD2 LEU A 45 -0.436 -6.243 -13.304 1.00 0.48 C ATOM 0 H LEU A 45 -2.812 -5.304 -14.123 1.00 0.34 H new ATOM 0 HA LEU A 45 -2.640 -5.422 -11.319 1.00 0.30 H new ATOM 0 HB2 LEU A 45 -1.735 -3.567 -13.546 1.00 0.31 H new ATOM 0 HB3 LEU A 45 -1.369 -3.179 -11.877 1.00 0.31 H new ATOM 0 HG LEU A 45 0.376 -4.299 -13.288 1.00 0.35 H new ATOM 0 HD11 LEU A 45 1.187 -5.694 -11.299 1.00 0.35 H new ATOM 0 HD12 LEU A 45 0.538 -4.114 -10.798 1.00 0.35 H new ATOM 0 HD13 LEU A 45 -0.451 -5.581 -10.611 1.00 0.35 H new ATOM 0 HD21 LEU A 45 0.526 -6.756 -13.297 1.00 0.48 H new ATOM 0 HD22 LEU A 45 -1.168 -6.836 -12.755 1.00 0.48 H new ATOM 0 HD23 LEU A 45 -0.772 -6.115 -14.333 1.00 0.48 H new ATOM 189 N ASP A 46 -4.666 -3.081 -12.384 1.00 0.37 N ATOM 190 CA ASP A 46 -5.794 -2.222 -11.990 1.00 0.43 C ATOM 191 C ASP A 46 -6.866 -2.996 -11.198 1.00 0.45 C ATOM 192 O ASP A 46 -7.306 -2.609 -10.112 1.00 0.49 O ATOM 193 CB ASP A 46 -6.368 -1.647 -13.285 1.00 0.53 C ATOM 194 CG ASP A 46 -7.568 -0.732 -13.107 1.00 0.74 C ATOM 195 OD1 ASP A 46 -8.705 -1.250 -13.100 1.00 1.87 O ATOM 196 OD2 ASP A 46 -7.375 0.509 -13.124 1.00 2.01 O ATOM 0 H ASP A 46 -4.565 -3.165 -13.395 1.00 0.37 H new ATOM 0 HA ASP A 46 -5.455 -1.431 -11.321 1.00 0.43 H new ATOM 0 HB2 ASP A 46 -5.582 -1.094 -13.799 1.00 0.53 H new ATOM 0 HB3 ASP A 46 -6.654 -2.473 -13.936 1.00 0.53 H new ATOM 201 N ALA A 47 -7.209 -4.183 -11.694 1.00 0.45 N ATOM 202 CA ALA A 47 -8.182 -5.040 -11.027 1.00 0.52 C ATOM 203 C ALA A 47 -7.589 -5.529 -9.702 1.00 0.57 C ATOM 204 O ALA A 47 -8.296 -5.598 -8.709 1.00 0.79 O ATOM 205 CB ALA A 47 -8.585 -6.186 -11.964 1.00 0.57 C ATOM 0 H ALA A 47 -6.826 -4.572 -12.556 1.00 0.45 H new ATOM 0 HA ALA A 47 -9.093 -4.489 -10.793 1.00 0.52 H new ATOM 0 HB1 ALA A 47 -9.312 -6.826 -11.464 1.00 0.57 H new ATOM 0 HB2 ALA A 47 -9.026 -5.775 -12.872 1.00 0.57 H new ATOM 0 HB3 ALA A 47 -7.703 -6.772 -12.222 1.00 0.57 H new ATOM 211 N LEU A 48 -6.274 -5.749 -9.654 1.00 0.45 N ATOM 212 CA LEU A 48 -5.521 -6.118 -8.459 1.00 0.46 C ATOM 213 C LEU A 48 -5.515 -5.004 -7.388 1.00 0.50 C ATOM 214 O LEU A 48 -5.783 -5.295 -6.224 1.00 0.58 O ATOM 215 CB LEU A 48 -4.103 -6.479 -8.933 1.00 0.38 C ATOM 216 CG LEU A 48 -3.742 -7.969 -8.882 1.00 0.47 C ATOM 217 CD1 LEU A 48 -2.536 -8.240 -9.783 1.00 0.49 C ATOM 218 CD2 LEU A 48 -3.388 -8.387 -7.473 1.00 0.90 C ATOM 0 H LEU A 48 -5.683 -5.671 -10.481 1.00 0.45 H new ATOM 0 HA LEU A 48 -5.991 -6.966 -7.961 1.00 0.46 H new ATOM 0 HB2 LEU A 48 -3.983 -6.130 -9.959 1.00 0.38 H new ATOM 0 HB3 LEU A 48 -3.386 -5.929 -8.324 1.00 0.38 H new ATOM 0 HG LEU A 48 -4.607 -8.538 -9.222 1.00 0.47 H new ATOM 0 HD11 LEU A 48 -2.283 -9.300 -9.744 1.00 0.49 H new ATOM 0 HD12 LEU A 48 -2.779 -7.963 -10.809 1.00 0.49 H new ATOM 0 HD13 LEU A 48 -1.686 -7.651 -9.439 1.00 0.49 H new ATOM 0 HD21 LEU A 48 -3.135 -9.447 -7.461 1.00 0.90 H new ATOM 0 HD22 LEU A 48 -2.534 -7.806 -7.125 1.00 0.90 H new ATOM 0 HD23 LEU A 48 -4.239 -8.209 -6.816 1.00 0.90 H new ATOM 230 N VAL A 49 -5.319 -3.725 -7.745 1.00 0.47 N ATOM 231 CA VAL A 49 -5.546 -2.610 -6.790 1.00 0.52 C ATOM 232 C VAL A 49 -7.024 -2.413 -6.443 1.00 0.57 C ATOM 233 O VAL A 49 -7.331 -1.723 -5.473 1.00 0.78 O ATOM 234 CB VAL A 49 -4.948 -1.260 -7.222 1.00 0.52 C ATOM 235 CG1 VAL A 49 -3.443 -1.286 -7.412 1.00 0.51 C ATOM 236 CG2 VAL A 49 -5.537 -0.721 -8.516 1.00 0.52 C ATOM 0 H VAL A 49 -5.009 -3.432 -8.671 1.00 0.47 H new ATOM 0 HA VAL A 49 -5.006 -2.936 -5.901 1.00 0.52 H new ATOM 0 HB VAL A 49 -5.208 -0.611 -6.386 1.00 0.52 H new ATOM 0 HG11 VAL A 49 -3.098 -0.298 -7.716 1.00 0.51 H new ATOM 0 HG12 VAL A 49 -2.963 -1.566 -6.474 1.00 0.51 H new ATOM 0 HG13 VAL A 49 -3.186 -2.013 -8.182 1.00 0.51 H new ATOM 0 HG21 VAL A 49 -5.069 0.233 -8.759 1.00 0.52 H new ATOM 0 HG22 VAL A 49 -5.354 -1.431 -9.322 1.00 0.52 H new ATOM 0 HG23 VAL A 49 -6.611 -0.578 -8.395 1.00 0.52 H new ATOM 246 N LYS A 50 -7.946 -3.019 -7.201 1.00 0.47 N ATOM 247 CA LYS A 50 -9.374 -3.075 -6.905 1.00 0.47 C ATOM 248 C LYS A 50 -9.855 -4.361 -6.207 1.00 0.46 C ATOM 249 O LYS A 50 -11.050 -4.486 -5.940 1.00 0.52 O ATOM 250 CB LYS A 50 -10.056 -2.810 -8.247 1.00 0.51 C ATOM 251 CG LYS A 50 -9.902 -1.344 -8.676 1.00 1.32 C ATOM 252 CD LYS A 50 -10.459 -0.286 -7.711 1.00 0.71 C ATOM 253 CE LYS A 50 -11.889 -0.644 -7.269 1.00 1.38 C ATOM 254 NZ LYS A 50 -12.574 0.460 -6.556 1.00 2.46 N ATOM 0 H LYS A 50 -7.704 -3.500 -8.068 1.00 0.47 H new ATOM 0 HA LYS A 50 -9.637 -2.330 -6.154 1.00 0.47 H new ATOM 0 HB2 LYS A 50 -9.627 -3.460 -9.009 1.00 0.51 H new ATOM 0 HB3 LYS A 50 -11.115 -3.060 -8.174 1.00 0.51 H new ATOM 0 HG2 LYS A 50 -8.842 -1.143 -8.828 1.00 1.32 H new ATOM 0 HG3 LYS A 50 -10.392 -1.217 -9.641 1.00 1.32 H new ATOM 0 HD2 LYS A 50 -9.812 -0.209 -6.837 1.00 0.71 H new ATOM 0 HD3 LYS A 50 -10.458 0.690 -8.195 1.00 0.71 H new ATOM 0 HE2 LYS A 50 -12.475 -0.920 -8.146 1.00 1.38 H new ATOM 0 HE3 LYS A 50 -11.853 -1.520 -6.621 1.00 1.38 H new ATOM 0 HZ1 LYS A 50 -13.572 0.209 -6.405 1.00 2.46 H new ATOM 0 HZ2 LYS A 50 -12.114 0.618 -5.637 1.00 2.46 H new ATOM 0 HZ3 LYS A 50 -12.518 1.329 -7.125 1.00 2.46 H new ATOM 268 N LYS A 51 -8.960 -5.299 -5.862 1.00 0.45 N ATOM 269 CA LYS A 51 -9.279 -6.535 -5.096 1.00 0.48 C ATOM 270 C LYS A 51 -9.499 -6.284 -3.605 1.00 0.68 C ATOM 271 O LYS A 51 -10.166 -7.083 -2.942 1.00 0.97 O ATOM 272 CB LYS A 51 -8.171 -7.589 -5.293 1.00 0.65 C ATOM 273 CG LYS A 51 -8.541 -8.822 -6.128 1.00 0.68 C ATOM 274 CD LYS A 51 -9.324 -8.492 -7.401 1.00 1.52 C ATOM 275 CE LYS A 51 -9.082 -9.473 -8.545 1.00 1.54 C ATOM 276 NZ LYS A 51 -9.771 -10.766 -8.332 1.00 1.71 N ATOM 0 H LYS A 51 -7.973 -5.228 -6.108 1.00 0.45 H new ATOM 0 HA LYS A 51 -10.223 -6.907 -5.495 1.00 0.48 H new ATOM 0 HB2 LYS A 51 -7.317 -7.102 -5.763 1.00 0.65 H new ATOM 0 HB3 LYS A 51 -7.844 -7.928 -4.310 1.00 0.65 H new ATOM 0 HG2 LYS A 51 -7.628 -9.352 -6.401 1.00 0.68 H new ATOM 0 HG3 LYS A 51 -9.133 -9.501 -5.514 1.00 0.68 H new ATOM 0 HD2 LYS A 51 -10.389 -8.476 -7.168 1.00 1.52 H new ATOM 0 HD3 LYS A 51 -9.055 -7.489 -7.732 1.00 1.52 H new ATOM 0 HE2 LYS A 51 -9.426 -9.030 -9.479 1.00 1.54 H new ATOM 0 HE3 LYS A 51 -8.011 -9.648 -8.651 1.00 1.54 H new ATOM 0 HZ1 LYS A 51 -9.577 -11.399 -9.134 1.00 1.71 H new ATOM 0 HZ2 LYS A 51 -9.425 -11.203 -7.454 1.00 1.71 H new ATOM 0 HZ3 LYS A 51 -10.796 -10.605 -8.258 1.00 1.71 H new ATOM 290 N ASP A 52 -8.967 -5.177 -3.094 1.00 0.60 N ATOM 291 CA ASP A 52 -9.325 -4.603 -1.798 1.00 0.58 C ATOM 292 C ASP A 52 -9.410 -3.075 -1.902 1.00 0.52 C ATOM 293 O ASP A 52 -9.183 -2.492 -2.963 1.00 0.48 O ATOM 294 CB ASP A 52 -8.297 -5.023 -0.735 1.00 0.59 C ATOM 295 CG ASP A 52 -8.955 -5.254 0.624 1.00 0.68 C ATOM 296 OD1 ASP A 52 -9.271 -4.246 1.287 1.00 1.71 O ATOM 297 OD2 ASP A 52 -9.190 -6.417 1.028 1.00 1.65 O ATOM 0 H ASP A 52 -8.253 -4.638 -3.584 1.00 0.60 H new ATOM 0 HA ASP A 52 -10.303 -4.979 -1.498 1.00 0.58 H new ATOM 0 HB2 ASP A 52 -7.793 -5.935 -1.056 1.00 0.59 H new ATOM 0 HB3 ASP A 52 -7.532 -4.252 -0.643 1.00 0.59 H new ATOM 302 N LYS A 53 -9.691 -2.417 -0.780 1.00 0.57 N ATOM 303 CA LYS A 53 -9.640 -0.956 -0.638 1.00 0.53 C ATOM 304 C LYS A 53 -8.347 -0.410 -0.062 1.00 0.42 C ATOM 305 O LYS A 53 -8.126 0.791 -0.150 1.00 0.36 O ATOM 306 CB LYS A 53 -10.832 -0.410 0.131 1.00 0.55 C ATOM 307 CG LYS A 53 -11.683 -1.379 0.937 1.00 0.90 C ATOM 308 CD LYS A 53 -11.092 -1.673 2.320 1.00 0.56 C ATOM 309 CE LYS A 53 -11.872 -2.720 3.122 1.00 0.81 C ATOM 310 NZ LYS A 53 -11.693 -4.081 2.575 1.00 1.25 N ATOM 0 H LYS A 53 -9.968 -2.892 0.079 1.00 0.57 H new ATOM 0 HA LYS A 53 -9.683 -0.597 -1.666 1.00 0.53 H new ATOM 0 HB2 LYS A 53 -10.463 0.354 0.815 1.00 0.55 H new ATOM 0 HB3 LYS A 53 -11.486 0.090 -0.583 1.00 0.55 H new ATOM 0 HG2 LYS A 53 -12.685 -0.966 1.054 1.00 0.90 H new ATOM 0 HG3 LYS A 53 -11.786 -2.313 0.384 1.00 0.90 H new ATOM 0 HD2 LYS A 53 -10.064 -2.015 2.199 1.00 0.56 H new ATOM 0 HD3 LYS A 53 -11.055 -0.746 2.892 1.00 0.56 H new ATOM 0 HE2 LYS A 53 -11.543 -2.700 4.161 1.00 0.81 H new ATOM 0 HE3 LYS A 53 -12.932 -2.464 3.119 1.00 0.81 H new ATOM 0 HZ1 LYS A 53 -11.753 -4.776 3.346 1.00 1.25 H new ATOM 0 HZ2 LYS A 53 -12.438 -4.275 1.876 1.00 1.25 H new ATOM 0 HZ3 LYS A 53 -10.762 -4.152 2.117 1.00 1.25 H new ATOM 324 N VAL A 54 -7.521 -1.269 0.522 1.00 0.44 N ATOM 325 CA VAL A 54 -6.233 -0.919 1.141 1.00 0.44 C ATOM 326 C VAL A 54 -5.246 -1.941 0.627 1.00 0.62 C ATOM 327 O VAL A 54 -4.963 -2.963 1.252 1.00 0.99 O ATOM 328 CB VAL A 54 -6.258 -0.885 2.685 1.00 0.34 C ATOM 329 CG1 VAL A 54 -5.401 0.242 3.239 1.00 0.44 C ATOM 330 CG2 VAL A 54 -7.664 -0.799 3.257 1.00 0.30 C ATOM 0 H VAL A 54 -7.730 -2.265 0.584 1.00 0.44 H new ATOM 0 HA VAL A 54 -5.961 0.101 0.868 1.00 0.44 H new ATOM 0 HB VAL A 54 -5.834 -1.838 3.003 1.00 0.34 H new ATOM 0 HG11 VAL A 54 -5.446 0.231 4.328 1.00 0.44 H new ATOM 0 HG12 VAL A 54 -4.369 0.106 2.917 1.00 0.44 H new ATOM 0 HG13 VAL A 54 -5.774 1.198 2.870 1.00 0.44 H new ATOM 0 HG21 VAL A 54 -7.613 -0.779 4.346 1.00 0.30 H new ATOM 0 HG22 VAL A 54 -8.147 0.110 2.899 1.00 0.30 H new ATOM 0 HG23 VAL A 54 -8.241 -1.667 2.937 1.00 0.30 H new ATOM 340 N VAL A 55 -4.824 -1.737 -0.607 1.00 0.41 N ATOM 341 CA VAL A 55 -3.996 -2.746 -1.260 1.00 0.42 C ATOM 342 C VAL A 55 -2.540 -2.362 -1.065 1.00 0.37 C ATOM 343 O VAL A 55 -2.083 -1.349 -1.595 1.00 0.39 O ATOM 344 CB VAL A 55 -4.401 -2.966 -2.728 1.00 0.52 C ATOM 345 CG1 VAL A 55 -3.900 -4.340 -3.142 1.00 1.11 C ATOM 346 CG2 VAL A 55 -5.917 -3.077 -2.912 1.00 0.81 C ATOM 0 H VAL A 55 -5.030 -0.910 -1.167 1.00 0.41 H new ATOM 0 HA VAL A 55 -4.152 -3.722 -0.800 1.00 0.42 H new ATOM 0 HB VAL A 55 -4.000 -2.125 -3.294 1.00 0.52 H new ATOM 0 HG11 VAL A 55 -4.171 -4.528 -4.181 1.00 1.11 H new ATOM 0 HG12 VAL A 55 -2.816 -4.379 -3.037 1.00 1.11 H new ATOM 0 HG13 VAL A 55 -4.353 -5.100 -2.505 1.00 1.11 H new ATOM 0 HG21 VAL A 55 -6.145 -3.231 -3.967 1.00 0.81 H new ATOM 0 HG22 VAL A 55 -6.293 -3.920 -2.332 1.00 0.81 H new ATOM 0 HG23 VAL A 55 -6.393 -2.159 -2.568 1.00 0.81 H new ATOM 356 N VAL A 56 -1.818 -3.174 -0.288 1.00 0.35 N ATOM 357 CA VAL A 56 -0.420 -2.946 0.089 1.00 0.31 C ATOM 358 C VAL A 56 0.476 -3.888 -0.679 1.00 0.29 C ATOM 359 O VAL A 56 0.073 -4.985 -1.036 1.00 0.30 O ATOM 360 CB VAL A 56 -0.214 -3.062 1.608 1.00 0.33 C ATOM 361 CG1 VAL A 56 1.175 -2.668 2.078 1.00 0.35 C ATOM 362 CG2 VAL A 56 -1.088 -2.032 2.305 1.00 0.37 C ATOM 0 H VAL A 56 -2.201 -4.033 0.108 1.00 0.35 H new ATOM 0 HA VAL A 56 -0.149 -1.924 -0.177 1.00 0.31 H new ATOM 0 HB VAL A 56 -0.426 -4.107 1.835 1.00 0.33 H new ATOM 0 HG11 VAL A 56 1.238 -2.778 3.161 1.00 0.35 H new ATOM 0 HG12 VAL A 56 1.916 -3.312 1.604 1.00 0.35 H new ATOM 0 HG13 VAL A 56 1.370 -1.630 1.807 1.00 0.35 H new ATOM 0 HG21 VAL A 56 -0.949 -2.107 3.383 1.00 0.37 H new ATOM 0 HG22 VAL A 56 -0.809 -1.033 1.971 1.00 0.37 H new ATOM 0 HG23 VAL A 56 -2.134 -2.217 2.061 1.00 0.37 H new ATOM 372 N PHE A 57 1.689 -3.442 -0.954 1.00 0.28 N ATOM 373 CA PHE A 57 2.539 -4.003 -1.993 1.00 0.30 C ATOM 374 C PHE A 57 3.985 -3.944 -1.536 1.00 0.32 C ATOM 375 O PHE A 57 4.531 -2.847 -1.401 1.00 0.38 O ATOM 376 CB PHE A 57 2.392 -3.074 -3.189 1.00 0.35 C ATOM 377 CG PHE A 57 1.201 -3.352 -4.066 1.00 0.39 C ATOM 378 CD1 PHE A 57 1.266 -4.334 -5.071 1.00 1.81 C ATOM 379 CD2 PHE A 57 0.035 -2.598 -3.887 1.00 1.99 C ATOM 380 CE1 PHE A 57 0.168 -4.536 -5.926 1.00 1.82 C ATOM 381 CE2 PHE A 57 -1.075 -2.820 -4.721 1.00 2.01 C ATOM 382 CZ PHE A 57 -1.007 -3.778 -5.751 1.00 0.53 C ATOM 0 H PHE A 57 2.120 -2.665 -0.453 1.00 0.28 H new ATOM 0 HA PHE A 57 2.268 -5.034 -2.221 1.00 0.30 H new ATOM 0 HB2 PHE A 57 2.327 -2.048 -2.827 1.00 0.35 H new ATOM 0 HB3 PHE A 57 3.295 -3.141 -3.796 1.00 0.35 H new ATOM 0 HD1 PHE A 57 2.158 -4.932 -5.186 1.00 1.81 H new ATOM 0 HD2 PHE A 57 -0.012 -1.848 -3.111 1.00 1.99 H new ATOM 0 HE1 PHE A 57 0.225 -5.271 -6.715 1.00 1.82 H new ATOM 0 HE2 PHE A 57 -1.983 -2.254 -4.571 1.00 2.01 H new ATOM 0 HZ PHE A 57 -1.853 -3.931 -6.405 1.00 0.53 H new ATOM 392 N LEU A 58 4.595 -5.091 -1.253 1.00 0.30 N ATOM 393 CA LEU A 58 5.947 -5.137 -0.722 1.00 0.30 C ATOM 394 C LEU A 58 6.620 -6.473 -1.094 1.00 0.29 C ATOM 395 O LEU A 58 5.922 -7.458 -1.347 1.00 0.32 O ATOM 396 CB LEU A 58 5.897 -4.802 0.785 1.00 0.27 C ATOM 397 CG LEU A 58 4.562 -4.921 1.564 1.00 0.26 C ATOM 398 CD1 LEU A 58 4.100 -6.338 1.876 1.00 0.26 C ATOM 399 CD2 LEU A 58 4.690 -4.122 2.847 1.00 0.40 C ATOM 0 H LEU A 58 4.167 -6.007 -1.385 1.00 0.30 H new ATOM 0 HA LEU A 58 6.590 -4.381 -1.173 1.00 0.30 H new ATOM 0 HB2 LEU A 58 6.621 -5.446 1.284 1.00 0.27 H new ATOM 0 HB3 LEU A 58 6.249 -3.777 0.901 1.00 0.27 H new ATOM 0 HG LEU A 58 3.789 -4.527 0.904 1.00 0.26 H new ATOM 0 HD11 LEU A 58 3.157 -6.301 2.422 1.00 0.26 H new ATOM 0 HD12 LEU A 58 3.959 -6.888 0.945 1.00 0.26 H new ATOM 0 HD13 LEU A 58 4.852 -6.840 2.484 1.00 0.26 H new ATOM 0 HD21 LEU A 58 3.761 -4.191 3.413 1.00 0.40 H new ATOM 0 HD22 LEU A 58 5.509 -4.522 3.444 1.00 0.40 H new ATOM 0 HD23 LEU A 58 4.892 -3.078 2.607 1.00 0.40 H new ATOM 411 N LYS A 59 7.956 -6.549 -1.188 1.00 0.29 N ATOM 412 CA LYS A 59 8.654 -7.821 -1.478 1.00 0.34 C ATOM 413 C LYS A 59 8.760 -8.706 -0.221 1.00 0.41 C ATOM 414 O LYS A 59 9.847 -9.046 0.249 1.00 0.51 O ATOM 415 CB LYS A 59 10.011 -7.537 -2.145 1.00 0.42 C ATOM 416 CG LYS A 59 10.912 -6.533 -1.400 1.00 0.51 C ATOM 417 CD LYS A 59 12.376 -6.973 -1.258 1.00 0.92 C ATOM 418 CE LYS A 59 12.958 -7.472 -2.583 1.00 1.43 C ATOM 419 NZ LYS A 59 14.400 -7.786 -2.468 1.00 2.03 N ATOM 0 H LYS A 59 8.578 -5.749 -1.069 1.00 0.29 H new ATOM 0 HA LYS A 59 8.064 -8.399 -2.189 1.00 0.34 H new ATOM 0 HB2 LYS A 59 10.551 -8.478 -2.248 1.00 0.42 H new ATOM 0 HB3 LYS A 59 9.831 -7.161 -3.152 1.00 0.42 H new ATOM 0 HG2 LYS A 59 10.882 -5.578 -1.925 1.00 0.51 H new ATOM 0 HG3 LYS A 59 10.499 -6.362 -0.406 1.00 0.51 H new ATOM 0 HD2 LYS A 59 12.972 -6.136 -0.893 1.00 0.92 H new ATOM 0 HD3 LYS A 59 12.446 -7.764 -0.511 1.00 0.92 H new ATOM 0 HE2 LYS A 59 12.417 -8.362 -2.905 1.00 1.43 H new ATOM 0 HE3 LYS A 59 12.812 -6.714 -3.352 1.00 1.43 H new ATOM 0 HZ1 LYS A 59 14.757 -8.121 -3.386 1.00 2.03 H new ATOM 0 HZ2 LYS A 59 14.920 -6.931 -2.185 1.00 2.03 H new ATOM 0 HZ3 LYS A 59 14.538 -8.528 -1.752 1.00 2.03 H new ATOM 433 N GLY A 60 7.609 -9.131 0.294 1.00 0.43 N ATOM 434 CA GLY A 60 7.486 -9.689 1.645 1.00 0.55 C ATOM 435 C GLY A 60 6.070 -9.740 2.226 1.00 0.52 C ATOM 436 O GLY A 60 5.075 -9.645 1.513 1.00 0.74 O ATOM 0 H GLY A 60 6.726 -9.099 -0.216 1.00 0.43 H new ATOM 0 HA2 GLY A 60 7.890 -10.701 1.636 1.00 0.55 H new ATOM 0 HA3 GLY A 60 8.112 -9.102 2.317 1.00 0.55 H new ATOM 440 N THR A 61 5.994 -9.866 3.553 1.00 0.46 N ATOM 441 CA THR A 61 4.750 -10.036 4.336 1.00 0.44 C ATOM 442 C THR A 61 4.687 -9.074 5.543 1.00 0.45 C ATOM 443 O THR A 61 5.725 -8.622 6.033 1.00 0.52 O ATOM 444 CB THR A 61 4.600 -11.502 4.799 1.00 0.54 C ATOM 445 OG1 THR A 61 5.571 -11.829 5.763 1.00 0.66 O ATOM 446 CG2 THR A 61 4.723 -12.516 3.661 1.00 0.59 C ATOM 0 H THR A 61 6.826 -9.853 4.143 1.00 0.46 H new ATOM 0 HA THR A 61 3.916 -9.785 3.681 1.00 0.44 H new ATOM 0 HB THR A 61 3.594 -11.564 5.215 1.00 0.54 H new ATOM 0 HG1 THR A 61 5.454 -12.761 6.042 1.00 0.66 H new ATOM 0 HG21 THR A 61 4.608 -13.524 4.058 1.00 0.59 H new ATOM 0 HG22 THR A 61 3.947 -12.327 2.920 1.00 0.59 H new ATOM 0 HG23 THR A 61 5.703 -12.420 3.193 1.00 0.59 H new ATOM 454 N PRO A 62 3.490 -8.730 6.063 1.00 0.41 N ATOM 455 CA PRO A 62 3.330 -7.717 7.122 1.00 0.41 C ATOM 456 C PRO A 62 3.788 -8.188 8.514 1.00 0.56 C ATOM 457 O PRO A 62 3.980 -7.379 9.422 1.00 0.72 O ATOM 458 CB PRO A 62 1.831 -7.402 7.136 1.00 0.41 C ATOM 459 CG PRO A 62 1.191 -8.710 6.678 1.00 0.47 C ATOM 460 CD PRO A 62 2.187 -9.229 5.648 1.00 0.42 C ATOM 0 HA PRO A 62 3.958 -6.853 6.908 1.00 0.41 H new ATOM 0 HB2 PRO A 62 1.490 -7.114 8.131 1.00 0.41 H new ATOM 0 HB3 PRO A 62 1.587 -6.579 6.465 1.00 0.41 H new ATOM 0 HG2 PRO A 62 1.062 -9.409 7.505 1.00 0.47 H new ATOM 0 HG3 PRO A 62 0.205 -8.547 6.242 1.00 0.47 H new ATOM 0 HD2 PRO A 62 2.180 -10.318 5.613 1.00 0.42 H new ATOM 0 HD3 PRO A 62 1.934 -8.876 4.648 1.00 0.42 H new ATOM 468 N GLU A 63 3.937 -9.500 8.687 1.00 0.66 N ATOM 469 CA GLU A 63 4.295 -10.171 9.943 1.00 0.89 C ATOM 470 C GLU A 63 5.794 -10.514 10.070 1.00 0.99 C ATOM 471 O GLU A 63 6.258 -10.807 11.173 1.00 1.19 O ATOM 472 CB GLU A 63 3.392 -11.411 10.109 1.00 1.06 C ATOM 473 CG GLU A 63 3.509 -12.440 8.968 1.00 1.53 C ATOM 474 CD GLU A 63 2.481 -13.566 9.121 1.00 2.47 C ATOM 475 OE1 GLU A 63 2.525 -14.308 10.131 1.00 3.40 O ATOM 476 OE2 GLU A 63 1.598 -13.713 8.239 1.00 3.49 O ATOM 0 H GLU A 63 3.806 -10.159 7.920 1.00 0.66 H new ATOM 0 HA GLU A 63 4.120 -9.472 10.761 1.00 0.89 H new ATOM 0 HB2 GLU A 63 3.638 -11.901 11.051 1.00 1.06 H new ATOM 0 HB3 GLU A 63 2.355 -11.083 10.182 1.00 1.06 H new ATOM 0 HG2 GLU A 63 3.364 -11.941 8.010 1.00 1.53 H new ATOM 0 HG3 GLU A 63 4.514 -12.862 8.959 1.00 1.53 H new ATOM 483 N GLN A 64 6.562 -10.492 8.973 1.00 0.93 N ATOM 484 CA GLN A 64 7.981 -10.847 8.933 1.00 1.07 C ATOM 485 C GLN A 64 8.758 -9.865 8.025 1.00 1.18 C ATOM 486 O GLN A 64 8.478 -9.833 6.823 1.00 1.26 O ATOM 487 CB GLN A 64 8.105 -12.272 8.393 1.00 1.21 C ATOM 488 CG GLN A 64 7.608 -13.384 9.339 1.00 1.34 C ATOM 489 CD GLN A 64 7.521 -14.743 8.648 1.00 1.75 C ATOM 490 OE1 GLN A 64 8.224 -15.034 7.687 1.00 2.30 O ATOM 491 NE2 GLN A 64 6.635 -15.622 9.059 1.00 2.40 N ATOM 0 H GLN A 64 6.198 -10.217 8.061 1.00 0.93 H new ATOM 0 HA GLN A 64 8.405 -10.787 9.935 1.00 1.07 H new ATOM 0 HB2 GLN A 64 7.548 -12.338 7.458 1.00 1.21 H new ATOM 0 HB3 GLN A 64 9.151 -12.462 8.155 1.00 1.21 H new ATOM 0 HG2 GLN A 64 8.280 -13.457 10.194 1.00 1.34 H new ATOM 0 HG3 GLN A 64 6.626 -13.114 9.728 1.00 1.34 H new ATOM 0 HE21 GLN A 64 6.036 -15.408 9.856 1.00 2.40 H new ATOM 0 HE22 GLN A 64 6.546 -16.519 8.581 1.00 2.40 H new ATOM 500 N PRO A 65 9.742 -9.095 8.534 1.00 1.40 N ATOM 501 CA PRO A 65 10.485 -8.102 7.748 1.00 1.50 C ATOM 502 C PRO A 65 11.399 -8.761 6.706 1.00 1.41 C ATOM 503 O PRO A 65 12.546 -9.119 6.964 1.00 1.70 O ATOM 504 CB PRO A 65 11.241 -7.251 8.775 1.00 1.84 C ATOM 505 CG PRO A 65 11.457 -8.211 9.944 1.00 2.03 C ATOM 506 CD PRO A 65 10.186 -9.062 9.923 1.00 1.67 C ATOM 0 HA PRO A 65 9.823 -7.476 7.150 1.00 1.50 H new ATOM 0 HB2 PRO A 65 12.187 -6.886 8.375 1.00 1.84 H new ATOM 0 HB3 PRO A 65 10.663 -6.377 9.075 1.00 1.84 H new ATOM 0 HG2 PRO A 65 12.352 -8.818 9.809 1.00 2.03 H new ATOM 0 HG3 PRO A 65 11.572 -7.679 10.888 1.00 2.03 H new ATOM 0 HD2 PRO A 65 10.385 -10.068 10.292 1.00 1.67 H new ATOM 0 HD3 PRO A 65 9.419 -8.632 10.567 1.00 1.67 H new ATOM 514 N GLN A 66 10.867 -8.862 5.489 1.00 1.10 N ATOM 515 CA GLN A 66 11.552 -9.104 4.211 1.00 0.85 C ATOM 516 C GLN A 66 12.962 -8.496 4.132 1.00 0.98 C ATOM 517 O GLN A 66 13.928 -9.199 3.843 1.00 1.16 O ATOM 518 CB GLN A 66 10.708 -8.471 3.099 1.00 0.53 C ATOM 519 CG GLN A 66 9.971 -7.194 3.505 1.00 1.18 C ATOM 520 CD GLN A 66 9.561 -6.353 2.321 1.00 0.83 C ATOM 521 OE1 GLN A 66 8.552 -6.603 1.700 1.00 1.78 O ATOM 522 NE2 GLN A 66 10.260 -5.284 2.025 1.00 0.86 N ATOM 0 H GLN A 66 9.860 -8.769 5.356 1.00 1.10 H new ATOM 0 HA GLN A 66 11.662 -10.184 4.108 1.00 0.85 H new ATOM 0 HB2 GLN A 66 11.357 -8.246 2.252 1.00 0.53 H new ATOM 0 HB3 GLN A 66 9.977 -9.203 2.755 1.00 0.53 H new ATOM 0 HG2 GLN A 66 9.084 -7.459 4.081 1.00 1.18 H new ATOM 0 HG3 GLN A 66 10.611 -6.603 4.160 1.00 1.18 H new ATOM 0 HE21 GLN A 66 11.110 -5.070 2.546 1.00 0.86 H new ATOM 0 HE22 GLN A 66 9.953 -4.666 1.274 1.00 0.86 H new ATOM 531 N CYS A 67 13.032 -7.181 4.352 1.00 0.98 N ATOM 532 CA CYS A 67 14.214 -6.324 4.304 1.00 1.14 C ATOM 533 C CYS A 67 13.849 -4.995 5.014 1.00 1.19 C ATOM 534 O CYS A 67 13.032 -5.003 5.940 1.00 1.87 O ATOM 535 CB CYS A 67 14.607 -6.143 2.822 1.00 1.17 C ATOM 536 SG CYS A 67 16.304 -5.508 2.717 1.00 1.57 S ATOM 0 H CYS A 67 12.195 -6.647 4.587 1.00 0.98 H new ATOM 0 HA CYS A 67 15.077 -6.748 4.817 1.00 1.14 H new ATOM 0 HB2 CYS A 67 14.531 -7.095 2.296 1.00 1.17 H new ATOM 0 HB3 CYS A 67 13.919 -5.453 2.334 1.00 1.17 H new ATOM 0 HG CYS A 67 16.635 -5.358 1.469 1.00 1.57 H new ATOM 542 N GLY A 68 14.362 -3.848 4.559 1.00 1.13 N ATOM 543 CA GLY A 68 13.867 -2.521 4.949 1.00 1.20 C ATOM 544 C GLY A 68 12.418 -2.242 4.515 1.00 1.25 C ATOM 545 O GLY A 68 11.834 -2.959 3.691 1.00 2.15 O ATOM 0 H GLY A 68 15.141 -3.813 3.902 1.00 1.13 H new ATOM 0 HA2 GLY A 68 13.936 -2.422 6.032 1.00 1.20 H new ATOM 0 HA3 GLY A 68 14.518 -1.760 4.517 1.00 1.20 H new ATOM 549 N PHE A 69 11.877 -1.142 5.046 1.00 0.91 N ATOM 550 CA PHE A 69 10.616 -0.461 4.694 1.00 0.75 C ATOM 551 C PHE A 69 9.296 -1.189 5.002 1.00 0.68 C ATOM 552 O PHE A 69 8.261 -0.539 5.146 1.00 0.67 O ATOM 553 CB PHE A 69 10.652 -0.030 3.221 1.00 1.27 C ATOM 554 CG PHE A 69 11.486 1.184 2.865 1.00 0.67 C ATOM 555 CD1 PHE A 69 12.700 1.515 3.501 1.00 2.16 C ATOM 556 CD2 PHE A 69 11.004 2.010 1.843 1.00 1.88 C ATOM 557 CE1 PHE A 69 13.393 2.679 3.130 1.00 2.45 C ATOM 558 CE2 PHE A 69 11.650 3.206 1.514 1.00 2.23 C ATOM 559 CZ PHE A 69 12.859 3.541 2.152 1.00 1.77 C ATOM 0 H PHE A 69 12.352 -0.655 5.806 1.00 0.91 H new ATOM 0 HA PHE A 69 10.590 0.391 5.373 1.00 0.75 H new ATOM 0 HB2 PHE A 69 11.017 -0.872 2.633 1.00 1.27 H new ATOM 0 HB3 PHE A 69 9.627 0.161 2.902 1.00 1.27 H new ATOM 0 HD1 PHE A 69 13.097 0.873 4.274 1.00 2.16 H new ATOM 0 HD2 PHE A 69 10.118 1.719 1.299 1.00 1.88 H new ATOM 0 HE1 PHE A 69 14.338 2.914 3.596 1.00 2.45 H new ATOM 0 HE2 PHE A 69 11.224 3.868 0.775 1.00 2.23 H new ATOM 0 HZ PHE A 69 13.375 4.454 1.893 1.00 1.77 H new ATOM 569 N SER A 70 9.300 -2.513 5.095 1.00 0.76 N ATOM 570 CA SER A 70 8.097 -3.354 5.139 1.00 0.76 C ATOM 571 C SER A 70 7.266 -3.210 6.416 1.00 0.67 C ATOM 572 O SER A 70 6.040 -3.307 6.383 1.00 0.68 O ATOM 573 CB SER A 70 8.582 -4.785 4.959 1.00 0.91 C ATOM 574 OG SER A 70 9.226 -5.294 6.103 1.00 2.03 O ATOM 0 H SER A 70 10.164 -3.053 5.144 1.00 0.76 H new ATOM 0 HA SER A 70 7.413 -3.040 4.350 1.00 0.76 H new ATOM 0 HB2 SER A 70 7.733 -5.423 4.712 1.00 0.91 H new ATOM 0 HB3 SER A 70 9.268 -4.827 4.113 1.00 0.91 H new ATOM 0 HG SER A 70 10.184 -5.393 5.922 1.00 2.03 H new ATOM 580 N ASN A 71 7.922 -2.914 7.536 1.00 0.64 N ATOM 581 CA ASN A 71 7.285 -2.585 8.804 1.00 0.61 C ATOM 582 C ASN A 71 6.918 -1.101 8.874 1.00 0.60 C ATOM 583 O ASN A 71 5.882 -0.760 9.435 1.00 0.57 O ATOM 584 CB ASN A 71 8.271 -2.980 9.913 1.00 0.69 C ATOM 585 CG ASN A 71 7.590 -3.232 11.240 1.00 1.81 C ATOM 586 OD1 ASN A 71 6.797 -4.154 11.381 1.00 3.00 O ATOM 587 ND2 ASN A 71 7.868 -2.429 12.237 1.00 2.27 N ATOM 0 H ASN A 71 8.941 -2.897 7.585 1.00 0.64 H new ATOM 0 HA ASN A 71 6.347 -3.129 8.919 1.00 0.61 H new ATOM 0 HB2 ASN A 71 8.811 -3.877 9.610 1.00 0.69 H new ATOM 0 HB3 ASN A 71 9.011 -2.189 10.034 1.00 0.69 H new ATOM 0 HD21 ASN A 71 7.422 -2.568 13.144 1.00 2.27 H new ATOM 0 HD22 ASN A 71 8.531 -1.665 12.107 1.00 2.27 H new ATOM 594 N ALA A 72 7.717 -0.222 8.261 1.00 0.65 N ATOM 595 CA ALA A 72 7.480 1.228 8.265 1.00 0.67 C ATOM 596 C ALA A 72 6.111 1.610 7.690 1.00 0.62 C ATOM 597 O ALA A 72 5.417 2.473 8.237 1.00 0.65 O ATOM 598 CB ALA A 72 8.624 1.939 7.529 1.00 0.76 C ATOM 0 H ALA A 72 8.552 -0.497 7.744 1.00 0.65 H new ATOM 0 HA ALA A 72 7.463 1.560 9.303 1.00 0.67 H new ATOM 0 HB1 ALA A 72 8.446 3.014 7.533 1.00 0.76 H new ATOM 0 HB2 ALA A 72 9.568 1.725 8.031 1.00 0.76 H new ATOM 0 HB3 ALA A 72 8.671 1.583 6.500 1.00 0.76 H new ATOM 604 N VAL A 73 5.679 0.913 6.639 1.00 0.60 N ATOM 605 CA VAL A 73 4.367 1.060 6.039 1.00 0.58 C ATOM 606 C VAL A 73 3.241 0.462 6.887 1.00 0.51 C ATOM 607 O VAL A 73 2.177 1.070 7.019 1.00 0.51 O ATOM 608 CB VAL A 73 4.408 0.454 4.628 1.00 0.62 C ATOM 609 CG1 VAL A 73 5.280 1.289 3.686 1.00 0.71 C ATOM 610 CG2 VAL A 73 4.923 -0.971 4.572 1.00 0.62 C ATOM 0 H VAL A 73 6.255 0.212 6.173 1.00 0.60 H new ATOM 0 HA VAL A 73 4.132 2.123 5.980 1.00 0.58 H new ATOM 0 HB VAL A 73 3.365 0.454 4.313 1.00 0.62 H new ATOM 0 HG11 VAL A 73 5.287 0.832 2.696 1.00 0.71 H new ATOM 0 HG12 VAL A 73 4.877 2.299 3.617 1.00 0.71 H new ATOM 0 HG13 VAL A 73 6.298 1.331 4.074 1.00 0.71 H new ATOM 0 HG21 VAL A 73 4.918 -1.319 3.539 1.00 0.62 H new ATOM 0 HG22 VAL A 73 5.940 -1.006 4.962 1.00 0.62 H new ATOM 0 HG23 VAL A 73 4.281 -1.614 5.175 1.00 0.62 H new ATOM 620 N VAL A 74 3.479 -0.695 7.513 1.00 0.48 N ATOM 621 CA VAL A 74 2.477 -1.406 8.325 1.00 0.43 C ATOM 622 C VAL A 74 2.254 -0.728 9.680 1.00 0.40 C ATOM 623 O VAL A 74 1.119 -0.669 10.147 1.00 0.39 O ATOM 624 CB VAL A 74 2.817 -2.906 8.426 1.00 0.45 C ATOM 625 CG1 VAL A 74 1.879 -3.677 9.361 1.00 0.46 C ATOM 626 CG2 VAL A 74 2.688 -3.532 7.028 1.00 0.51 C ATOM 0 H VAL A 74 4.380 -1.172 7.472 1.00 0.48 H new ATOM 0 HA VAL A 74 1.515 -1.345 7.817 1.00 0.43 H new ATOM 0 HB VAL A 74 3.828 -2.975 8.828 1.00 0.45 H new ATOM 0 HG11 VAL A 74 2.173 -4.726 9.387 1.00 0.46 H new ATOM 0 HG12 VAL A 74 1.941 -3.258 10.365 1.00 0.46 H new ATOM 0 HG13 VAL A 74 0.855 -3.596 8.997 1.00 0.46 H new ATOM 0 HG21 VAL A 74 2.926 -4.594 7.082 1.00 0.51 H new ATOM 0 HG22 VAL A 74 1.668 -3.406 6.666 1.00 0.51 H new ATOM 0 HG23 VAL A 74 3.379 -3.040 6.344 1.00 0.51 H new ATOM 636 N GLN A 75 3.285 -0.102 10.254 1.00 0.39 N ATOM 637 CA GLN A 75 3.168 0.782 11.413 1.00 0.39 C ATOM 638 C GLN A 75 2.291 1.997 11.088 1.00 0.36 C ATOM 639 O GLN A 75 1.358 2.268 11.835 1.00 0.37 O ATOM 640 CB GLN A 75 4.564 1.217 11.894 1.00 0.49 C ATOM 641 CG GLN A 75 5.350 0.086 12.582 1.00 0.57 C ATOM 642 CD GLN A 75 4.846 -0.248 13.983 1.00 1.03 C ATOM 643 OE1 GLN A 75 4.774 0.593 14.875 1.00 2.25 O ATOM 644 NE2 GLN A 75 4.482 -1.476 14.263 1.00 0.76 N ATOM 0 H GLN A 75 4.243 -0.199 9.918 1.00 0.39 H new ATOM 0 HA GLN A 75 2.684 0.233 12.221 1.00 0.39 H new ATOM 0 HB2 GLN A 75 5.137 1.582 11.042 1.00 0.49 H new ATOM 0 HB3 GLN A 75 4.458 2.051 12.588 1.00 0.49 H new ATOM 0 HG2 GLN A 75 5.297 -0.810 11.963 1.00 0.57 H new ATOM 0 HG3 GLN A 75 6.401 0.370 12.642 1.00 0.57 H new ATOM 0 HE21 GLN A 75 4.530 -2.198 13.545 1.00 0.76 H new ATOM 0 HE22 GLN A 75 4.151 -1.709 15.199 1.00 0.76 H new ATOM 653 N ILE A 76 2.492 2.696 9.962 1.00 0.34 N ATOM 654 CA ILE A 76 1.642 3.864 9.639 1.00 0.33 C ATOM 655 C ILE A 76 0.170 3.448 9.497 1.00 0.32 C ATOM 656 O ILE A 76 -0.718 4.120 10.023 1.00 0.31 O ATOM 657 CB ILE A 76 2.189 4.613 8.404 1.00 0.35 C ATOM 658 CG1 ILE A 76 3.504 5.312 8.812 1.00 0.39 C ATOM 659 CG2 ILE A 76 1.177 5.645 7.864 1.00 0.41 C ATOM 660 CD1 ILE A 76 4.233 5.946 7.629 1.00 0.41 C ATOM 0 H ILE A 76 3.214 2.486 9.273 1.00 0.34 H new ATOM 0 HA ILE A 76 1.679 4.571 10.468 1.00 0.33 H new ATOM 0 HB ILE A 76 2.367 3.897 7.601 1.00 0.35 H new ATOM 0 HG12 ILE A 76 3.286 6.082 9.552 1.00 0.39 H new ATOM 0 HG13 ILE A 76 4.162 4.587 9.291 1.00 0.39 H new ATOM 0 HG21 ILE A 76 1.600 6.150 6.996 1.00 0.41 H new ATOM 0 HG22 ILE A 76 0.257 5.136 7.575 1.00 0.41 H new ATOM 0 HG23 ILE A 76 0.957 6.379 8.639 1.00 0.41 H new ATOM 0 HD11 ILE A 76 5.149 6.422 7.979 1.00 0.41 H new ATOM 0 HD12 ILE A 76 4.480 5.176 6.899 1.00 0.41 H new ATOM 0 HD13 ILE A 76 3.591 6.694 7.164 1.00 0.41 H new ATOM 672 N LEU A 77 -0.082 2.299 8.867 1.00 0.33 N ATOM 673 CA LEU A 77 -1.421 1.703 8.781 1.00 0.35 C ATOM 674 C LEU A 77 -2.023 1.365 10.161 1.00 0.38 C ATOM 675 O LEU A 77 -3.105 1.868 10.482 1.00 0.35 O ATOM 676 CB LEU A 77 -1.364 0.494 7.830 1.00 0.39 C ATOM 677 CG LEU A 77 -1.275 0.935 6.357 1.00 0.36 C ATOM 678 CD1 LEU A 77 -0.771 -0.199 5.468 1.00 0.48 C ATOM 679 CD2 LEU A 77 -2.652 1.372 5.846 1.00 0.38 C ATOM 0 H LEU A 77 0.640 1.751 8.399 1.00 0.33 H new ATOM 0 HA LEU A 77 -2.110 2.440 8.368 1.00 0.35 H new ATOM 0 HB2 LEU A 77 -0.501 -0.124 8.078 1.00 0.39 H new ATOM 0 HB3 LEU A 77 -2.251 -0.124 7.972 1.00 0.39 H new ATOM 0 HG LEU A 77 -0.574 1.768 6.312 1.00 0.36 H new ATOM 0 HD11 LEU A 77 -0.719 0.144 4.435 1.00 0.48 H new ATOM 0 HD12 LEU A 77 0.221 -0.507 5.798 1.00 0.48 H new ATOM 0 HD13 LEU A 77 -1.454 -1.045 5.536 1.00 0.48 H new ATOM 0 HD21 LEU A 77 -2.572 1.681 4.804 1.00 0.38 H new ATOM 0 HD22 LEU A 77 -3.351 0.539 5.925 1.00 0.38 H new ATOM 0 HD23 LEU A 77 -3.014 2.208 6.445 1.00 0.38 H new ATOM 691 N ARG A 78 -1.330 0.599 11.017 1.00 0.45 N ATOM 692 CA ARG A 78 -1.793 0.265 12.371 1.00 0.54 C ATOM 693 C ARG A 78 -2.052 1.495 13.257 1.00 0.48 C ATOM 694 O ARG A 78 -3.022 1.521 14.012 1.00 0.51 O ATOM 695 CB ARG A 78 -0.812 -0.747 13.004 1.00 0.77 C ATOM 696 CG ARG A 78 0.182 -0.141 14.013 1.00 0.99 C ATOM 697 CD ARG A 78 1.122 -1.147 14.677 1.00 1.33 C ATOM 698 NE ARG A 78 1.906 -0.470 15.731 1.00 3.12 N ATOM 699 CZ ARG A 78 1.484 -0.180 16.949 1.00 4.33 C ATOM 700 NH1 ARG A 78 0.328 -0.564 17.405 1.00 4.62 N ATOM 701 NH2 ARG A 78 2.189 0.544 17.765 1.00 6.05 N ATOM 0 H ARG A 78 -0.424 0.191 10.786 1.00 0.45 H new ATOM 0 HA ARG A 78 -2.774 -0.202 12.290 1.00 0.54 H new ATOM 0 HB2 ARG A 78 -1.388 -1.525 13.506 1.00 0.77 H new ATOM 0 HB3 ARG A 78 -0.248 -1.232 12.207 1.00 0.77 H new ATOM 0 HG2 ARG A 78 0.782 0.612 13.502 1.00 0.99 H new ATOM 0 HG3 ARG A 78 -0.382 0.375 14.790 1.00 0.99 H new ATOM 0 HD2 ARG A 78 0.548 -1.968 15.107 1.00 1.33 H new ATOM 0 HD3 ARG A 78 1.791 -1.581 13.934 1.00 1.33 H new ATOM 0 HE ARG A 78 2.862 -0.202 15.496 1.00 3.12 H new ATOM 0 HH11 ARG A 78 -0.296 -1.114 16.814 1.00 4.62 H new ATOM 0 HH12 ARG A 78 0.046 -0.316 18.353 1.00 4.62 H new ATOM 0 HH21 ARG A 78 3.096 0.906 17.472 1.00 6.05 H new ATOM 0 HH22 ARG A 78 1.835 0.750 18.699 1.00 6.05 H new ATOM 715 N LEU A 79 -1.224 2.537 13.152 1.00 0.45 N ATOM 716 CA LEU A 79 -1.355 3.783 13.912 1.00 0.46 C ATOM 717 C LEU A 79 -2.615 4.566 13.516 1.00 0.45 C ATOM 718 O LEU A 79 -3.237 5.199 14.366 1.00 0.56 O ATOM 719 CB LEU A 79 -0.096 4.616 13.654 1.00 0.44 C ATOM 720 CG LEU A 79 1.189 4.071 14.308 1.00 0.42 C ATOM 721 CD1 LEU A 79 2.362 4.852 13.716 1.00 0.41 C ATOM 722 CD2 LEU A 79 1.196 4.223 15.827 1.00 0.47 C ATOM 0 H LEU A 79 -0.423 2.538 12.520 1.00 0.45 H new ATOM 0 HA LEU A 79 -1.457 3.554 14.973 1.00 0.46 H new ATOM 0 HB2 LEU A 79 0.062 4.684 12.578 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -0.268 5.630 14.016 1.00 0.44 H new ATOM 0 HG LEU A 79 1.257 3.002 14.105 1.00 0.42 H new ATOM 0 HD11 LEU A 79 3.294 4.496 14.154 1.00 0.41 H new ATOM 0 HD12 LEU A 79 2.389 4.705 12.636 1.00 0.41 H new ATOM 0 HD13 LEU A 79 2.240 5.913 13.935 1.00 0.41 H new ATOM 0 HD21 LEU A 79 2.126 3.821 16.229 1.00 0.47 H new ATOM 0 HD22 LEU A 79 1.114 5.278 16.087 1.00 0.47 H new ATOM 0 HD23 LEU A 79 0.352 3.678 16.251 1.00 0.47 H new ATOM 734 N HIS A 80 -3.023 4.454 12.249 1.00 0.34 N ATOM 735 CA HIS A 80 -4.319 4.897 11.728 1.00 0.30 C ATOM 736 C HIS A 80 -5.490 3.939 12.028 1.00 0.34 C ATOM 737 O HIS A 80 -6.622 4.256 11.670 1.00 0.36 O ATOM 738 CB HIS A 80 -4.177 5.164 10.222 1.00 0.26 C ATOM 739 CG HIS A 80 -3.681 6.551 9.920 1.00 0.28 C ATOM 740 ND1 HIS A 80 -4.450 7.681 9.998 1.00 0.44 N ATOM 741 CD2 HIS A 80 -2.424 6.947 9.548 1.00 0.27 C ATOM 742 CE1 HIS A 80 -3.704 8.734 9.663 1.00 0.50 C ATOM 743 NE2 HIS A 80 -2.452 8.341 9.359 1.00 0.38 N ATOM 0 H HIS A 80 -2.435 4.035 11.529 1.00 0.34 H new ATOM 0 HA HIS A 80 -4.585 5.814 12.254 1.00 0.30 H new ATOM 0 HB2 HIS A 80 -3.490 4.436 9.792 1.00 0.26 H new ATOM 0 HB3 HIS A 80 -5.143 5.015 9.739 1.00 0.26 H new ATOM 0 HD2 HIS A 80 -1.565 6.304 9.422 1.00 0.27 H new ATOM 0 HE1 HIS A 80 -4.053 9.756 9.639 1.00 0.50 H new ATOM 0 HE2 HIS A 80 -1.680 8.934 9.054 1.00 0.38 H new ATOM 751 N GLY A 81 -5.263 2.811 12.706 1.00 0.38 N ATOM 752 CA GLY A 81 -6.294 1.840 13.103 1.00 0.47 C ATOM 753 C GLY A 81 -6.469 0.645 12.155 1.00 0.59 C ATOM 754 O GLY A 81 -7.411 -0.141 12.319 1.00 0.74 O ATOM 0 H GLY A 81 -4.327 2.537 13.005 1.00 0.38 H new ATOM 0 HA2 GLY A 81 -6.051 1.462 14.096 1.00 0.47 H new ATOM 0 HA3 GLY A 81 -7.248 2.361 13.185 1.00 0.47 H new ATOM 758 N VAL A 82 -5.601 0.499 11.146 1.00 0.59 N ATOM 759 CA VAL A 82 -5.801 -0.395 9.994 1.00 0.66 C ATOM 760 C VAL A 82 -4.817 -1.564 9.985 1.00 0.68 C ATOM 761 O VAL A 82 -3.602 -1.397 9.942 1.00 0.66 O ATOM 762 CB VAL A 82 -5.737 0.398 8.669 1.00 0.60 C ATOM 763 CG1 VAL A 82 -6.112 -0.487 7.472 1.00 0.69 C ATOM 764 CG2 VAL A 82 -6.693 1.603 8.671 1.00 0.66 C ATOM 0 H VAL A 82 -4.719 1.010 11.105 1.00 0.59 H new ATOM 0 HA VAL A 82 -6.797 -0.826 10.092 1.00 0.66 H new ATOM 0 HB VAL A 82 -4.708 0.745 8.579 1.00 0.60 H new ATOM 0 HG11 VAL A 82 -6.058 0.099 6.555 1.00 0.69 H new ATOM 0 HG12 VAL A 82 -5.419 -1.326 7.408 1.00 0.69 H new ATOM 0 HG13 VAL A 82 -7.126 -0.864 7.602 1.00 0.69 H new ATOM 0 HG21 VAL A 82 -6.615 2.131 7.721 1.00 0.66 H new ATOM 0 HG22 VAL A 82 -7.717 1.255 8.810 1.00 0.66 H new ATOM 0 HG23 VAL A 82 -6.426 2.278 9.484 1.00 0.66 H new ATOM 774 N ARG A 83 -5.381 -2.772 9.929 1.00 0.73 N ATOM 775 CA ARG A 83 -4.736 -4.079 9.769 1.00 0.74 C ATOM 776 C ARG A 83 -5.451 -4.916 8.699 1.00 0.68 C ATOM 777 O ARG A 83 -5.357 -6.138 8.609 1.00 0.78 O ATOM 778 CB ARG A 83 -4.667 -4.772 11.122 1.00 0.93 C ATOM 779 CG ARG A 83 -6.026 -5.002 11.780 1.00 1.08 C ATOM 780 CD ARG A 83 -6.405 -3.840 12.693 1.00 2.01 C ATOM 781 NE ARG A 83 -7.424 -4.219 13.681 1.00 2.48 N ATOM 782 CZ ARG A 83 -8.699 -4.491 13.480 1.00 2.83 C ATOM 783 NH1 ARG A 83 -9.275 -4.421 12.317 1.00 3.21 N ATOM 784 NH2 ARG A 83 -9.438 -4.863 14.478 1.00 3.52 N ATOM 0 H ARG A 83 -6.394 -2.870 10.001 1.00 0.73 H new ATOM 0 HA ARG A 83 -3.715 -3.949 9.411 1.00 0.74 H new ATOM 0 HB2 ARG A 83 -4.168 -5.733 11.000 1.00 0.93 H new ATOM 0 HB3 ARG A 83 -4.048 -4.175 11.792 1.00 0.93 H new ATOM 0 HG2 ARG A 83 -6.788 -5.126 11.011 1.00 1.08 H new ATOM 0 HG3 ARG A 83 -6.001 -5.927 12.356 1.00 1.08 H new ATOM 0 HD2 ARG A 83 -5.515 -3.482 13.211 1.00 2.01 H new ATOM 0 HD3 ARG A 83 -6.777 -3.012 12.089 1.00 2.01 H new ATOM 0 HE ARG A 83 -7.104 -4.280 14.648 1.00 2.48 H new ATOM 0 HH11 ARG A 83 -8.736 -4.143 11.497 1.00 3.21 H new ATOM 0 HH12 ARG A 83 -10.266 -4.644 12.224 1.00 3.21 H new ATOM 0 HH21 ARG A 83 -9.033 -4.944 15.411 1.00 3.52 H new ATOM 0 HH22 ARG A 83 -10.425 -5.075 14.331 1.00 3.52 H new ATOM 798 N ASP A 84 -6.243 -4.187 7.929 1.00 0.84 N ATOM 799 CA ASP A 84 -7.357 -4.613 7.088 1.00 0.78 C ATOM 800 C ASP A 84 -7.055 -4.389 5.604 1.00 0.64 C ATOM 801 O ASP A 84 -7.928 -4.441 4.741 1.00 0.68 O ATOM 802 CB ASP A 84 -8.613 -3.867 7.552 1.00 1.22 C ATOM 803 CG ASP A 84 -8.870 -4.087 9.041 1.00 2.64 C ATOM 804 OD1 ASP A 84 -9.580 -5.064 9.382 1.00 3.24 O ATOM 805 OD2 ASP A 84 -8.335 -3.309 9.873 1.00 4.13 O ATOM 0 H ASP A 84 -6.110 -3.177 7.870 1.00 0.84 H new ATOM 0 HA ASP A 84 -7.521 -5.686 7.193 1.00 0.78 H new ATOM 0 HB2 ASP A 84 -8.500 -2.801 7.354 1.00 1.22 H new ATOM 0 HB3 ASP A 84 -9.474 -4.208 6.978 1.00 1.22 H new ATOM 810 N TYR A 85 -5.775 -4.172 5.324 1.00 0.54 N ATOM 811 CA TYR A 85 -5.215 -4.244 3.995 1.00 0.49 C ATOM 812 C TYR A 85 -5.137 -5.692 3.500 1.00 0.48 C ATOM 813 O TYR A 85 -5.168 -6.664 4.263 1.00 0.49 O ATOM 814 CB TYR A 85 -3.801 -3.612 3.980 1.00 0.48 C ATOM 815 CG TYR A 85 -2.915 -4.052 5.127 1.00 0.48 C ATOM 816 CD1 TYR A 85 -2.323 -5.317 5.031 1.00 1.81 C ATOM 817 CD2 TYR A 85 -2.778 -3.288 6.307 1.00 2.02 C ATOM 818 CE1 TYR A 85 -1.684 -5.884 6.155 1.00 1.81 C ATOM 819 CE2 TYR A 85 -2.070 -3.819 7.401 1.00 2.01 C ATOM 820 CZ TYR A 85 -1.566 -5.137 7.349 1.00 0.48 C ATOM 821 OH TYR A 85 -1.006 -5.672 8.468 1.00 0.53 O ATOM 0 H TYR A 85 -5.087 -3.936 6.039 1.00 0.54 H new ATOM 0 HA TYR A 85 -5.872 -3.689 3.325 1.00 0.49 H new ATOM 0 HB2 TYR A 85 -3.312 -3.865 3.039 1.00 0.48 H new ATOM 0 HB3 TYR A 85 -3.899 -2.527 4.007 1.00 0.48 H new ATOM 0 HD1 TYR A 85 -2.355 -5.859 4.097 1.00 1.81 H new ATOM 0 HD2 TYR A 85 -3.214 -2.302 6.369 1.00 2.02 H new ATOM 0 HE1 TYR A 85 -1.286 -6.887 6.103 1.00 1.81 H new ATOM 0 HE2 TYR A 85 -1.912 -3.217 8.283 1.00 2.01 H new ATOM 0 HH TYR A 85 -1.012 -5.006 9.187 1.00 0.53 H new ATOM 831 N ALA A 86 -4.941 -5.801 2.194 1.00 0.47 N ATOM 832 CA ALA A 86 -4.368 -6.969 1.551 1.00 0.46 C ATOM 833 C ALA A 86 -2.890 -6.680 1.309 1.00 0.45 C ATOM 834 O ALA A 86 -2.569 -5.788 0.524 1.00 0.50 O ATOM 835 CB ALA A 86 -5.136 -7.215 0.258 1.00 0.59 C ATOM 0 H ALA A 86 -5.183 -5.059 1.537 1.00 0.47 H new ATOM 0 HA ALA A 86 -4.444 -7.869 2.161 1.00 0.46 H new ATOM 0 HB1 ALA A 86 -4.726 -8.089 -0.248 1.00 0.59 H new ATOM 0 HB2 ALA A 86 -6.188 -7.388 0.487 1.00 0.59 H new ATOM 0 HB3 ALA A 86 -5.044 -6.344 -0.391 1.00 0.59 H new ATOM 841 N ALA A 87 -1.995 -7.360 2.025 1.00 0.42 N ATOM 842 CA ALA A 87 -0.565 -7.151 1.860 1.00 0.40 C ATOM 843 C ALA A 87 -0.034 -8.126 0.773 1.00 0.39 C ATOM 844 O ALA A 87 0.253 -9.300 1.053 1.00 0.50 O ATOM 845 CB ALA A 87 0.149 -7.366 3.203 1.00 0.40 C ATOM 0 H ALA A 87 -2.240 -8.060 2.725 1.00 0.42 H new ATOM 0 HA ALA A 87 -0.367 -6.129 1.537 1.00 0.40 H new ATOM 0 HB1 ALA A 87 1.220 -7.209 3.075 1.00 0.40 H new ATOM 0 HB2 ALA A 87 -0.237 -6.659 3.937 1.00 0.40 H new ATOM 0 HB3 ALA A 87 -0.029 -8.384 3.551 1.00 0.40 H new ATOM 851 N TYR A 88 0.102 -7.654 -0.465 1.00 0.32 N ATOM 852 CA TYR A 88 0.619 -8.401 -1.612 1.00 0.33 C ATOM 853 C TYR A 88 2.138 -8.516 -1.553 1.00 0.34 C ATOM 854 O TYR A 88 2.866 -7.527 -1.700 1.00 0.36 O ATOM 855 CB TYR A 88 0.163 -7.764 -2.937 1.00 0.37 C ATOM 856 CG TYR A 88 -1.280 -8.068 -3.293 1.00 0.45 C ATOM 857 CD1 TYR A 88 -2.323 -7.373 -2.654 1.00 1.96 C ATOM 858 CD2 TYR A 88 -1.580 -9.046 -4.261 1.00 1.70 C ATOM 859 CE1 TYR A 88 -3.666 -7.675 -2.964 1.00 2.01 C ATOM 860 CE2 TYR A 88 -2.921 -9.326 -4.587 1.00 1.76 C ATOM 861 CZ TYR A 88 -3.969 -8.652 -3.930 1.00 0.78 C ATOM 862 OH TYR A 88 -5.263 -8.978 -4.187 1.00 0.99 O ATOM 0 H TYR A 88 -0.157 -6.698 -0.707 1.00 0.32 H new ATOM 0 HA TYR A 88 0.207 -9.409 -1.567 1.00 0.33 H new ATOM 0 HB2 TYR A 88 0.293 -6.684 -2.875 1.00 0.37 H new ATOM 0 HB3 TYR A 88 0.809 -8.117 -3.741 1.00 0.37 H new ATOM 0 HD1 TYR A 88 -2.096 -6.608 -1.926 1.00 1.96 H new ATOM 0 HD2 TYR A 88 -0.782 -9.581 -4.753 1.00 1.70 H new ATOM 0 HE1 TYR A 88 -4.465 -7.154 -2.457 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -3.147 -10.061 -5.345 1.00 1.76 H new ATOM 0 HH TYR A 88 -5.295 -9.669 -4.881 1.00 0.99 H new ATOM 872 N ASN A 89 2.600 -9.758 -1.394 1.00 0.39 N ATOM 873 CA ASN A 89 3.965 -10.135 -1.571 1.00 0.44 C ATOM 874 C ASN A 89 4.314 -10.233 -3.062 1.00 0.50 C ATOM 875 O ASN A 89 3.913 -11.183 -3.745 1.00 0.60 O ATOM 876 CB ASN A 89 4.128 -11.463 -0.837 1.00 0.53 C ATOM 877 CG ASN A 89 5.582 -11.815 -0.726 1.00 1.16 C ATOM 878 OD1 ASN A 89 6.421 -11.422 -1.523 1.00 2.24 O ATOM 879 ND2 ASN A 89 5.922 -12.562 0.279 1.00 1.14 N ATOM 0 H ASN A 89 1.999 -10.539 -1.130 1.00 0.39 H new ATOM 0 HA ASN A 89 4.653 -9.394 -1.165 1.00 0.44 H new ATOM 0 HB2 ASN A 89 3.685 -11.395 0.157 1.00 0.53 H new ATOM 0 HB3 ASN A 89 3.595 -12.250 -1.370 1.00 0.53 H new ATOM 0 HD21 ASN A 89 6.898 -12.827 0.410 1.00 1.14 H new ATOM 0 HD22 ASN A 89 5.213 -12.884 0.938 1.00 1.14 H new ATOM 886 N VAL A 90 5.088 -9.276 -3.567 1.00 0.49 N ATOM 887 CA VAL A 90 5.504 -9.248 -4.984 1.00 0.62 C ATOM 888 C VAL A 90 6.687 -10.174 -5.312 1.00 0.74 C ATOM 889 O VAL A 90 7.144 -10.189 -6.448 1.00 0.99 O ATOM 890 CB VAL A 90 5.690 -7.815 -5.522 1.00 0.65 C ATOM 891 CG1 VAL A 90 4.434 -6.972 -5.253 1.00 0.65 C ATOM 892 CG2 VAL A 90 6.911 -7.101 -4.929 1.00 0.64 C ATOM 0 H VAL A 90 5.448 -8.497 -3.016 1.00 0.49 H new ATOM 0 HA VAL A 90 4.664 -9.674 -5.533 1.00 0.62 H new ATOM 0 HB VAL A 90 5.857 -7.915 -6.594 1.00 0.65 H new ATOM 0 HG11 VAL A 90 4.583 -5.964 -5.639 1.00 0.65 H new ATOM 0 HG12 VAL A 90 3.577 -7.428 -5.749 1.00 0.65 H new ATOM 0 HG13 VAL A 90 4.250 -6.926 -4.180 1.00 0.65 H new ATOM 0 HG21 VAL A 90 6.985 -6.098 -5.349 1.00 0.64 H new ATOM 0 HG22 VAL A 90 6.803 -7.035 -3.846 1.00 0.64 H new ATOM 0 HG23 VAL A 90 7.814 -7.663 -5.170 1.00 0.64 H new ATOM 902 N LEU A 91 7.161 -10.987 -4.361 1.00 0.69 N ATOM 903 CA LEU A 91 8.102 -12.095 -4.611 1.00 0.89 C ATOM 904 C LEU A 91 7.381 -13.408 -4.920 1.00 0.82 C ATOM 905 O LEU A 91 7.979 -14.327 -5.481 1.00 0.89 O ATOM 906 CB LEU A 91 8.985 -12.332 -3.376 1.00 1.02 C ATOM 907 CG LEU A 91 9.851 -11.143 -2.962 1.00 1.27 C ATOM 908 CD1 LEU A 91 10.450 -11.428 -1.589 1.00 1.35 C ATOM 909 CD2 LEU A 91 10.968 -10.892 -3.978 1.00 1.72 C ATOM 0 H LEU A 91 6.900 -10.896 -3.379 1.00 0.69 H new ATOM 0 HA LEU A 91 8.700 -11.802 -5.474 1.00 0.89 H new ATOM 0 HB2 LEU A 91 8.344 -12.605 -2.537 1.00 1.02 H new ATOM 0 HB3 LEU A 91 9.635 -13.185 -3.571 1.00 1.02 H new ATOM 0 HG LEU A 91 9.230 -10.248 -2.924 1.00 1.27 H new ATOM 0 HD11 LEU A 91 11.071 -10.587 -1.281 1.00 1.35 H new ATOM 0 HD12 LEU A 91 9.648 -11.571 -0.865 1.00 1.35 H new ATOM 0 HD13 LEU A 91 11.060 -12.330 -1.638 1.00 1.35 H new ATOM 0 HD21 LEU A 91 11.567 -10.040 -3.657 1.00 1.72 H new ATOM 0 HD22 LEU A 91 11.602 -11.776 -4.048 1.00 1.72 H new ATOM 0 HD23 LEU A 91 10.531 -10.681 -4.954 1.00 1.72 H new ATOM 921 N ASP A 92 6.112 -13.519 -4.528 1.00 0.81 N ATOM 922 CA ASP A 92 5.369 -14.781 -4.554 1.00 0.86 C ATOM 923 C ASP A 92 5.084 -15.254 -5.986 1.00 0.75 C ATOM 924 O ASP A 92 5.217 -16.441 -6.296 1.00 0.88 O ATOM 925 CB ASP A 92 4.088 -14.611 -3.739 1.00 1.09 C ATOM 926 CG ASP A 92 3.742 -15.875 -2.963 1.00 1.39 C ATOM 927 OD1 ASP A 92 4.245 -16.017 -1.820 1.00 2.53 O ATOM 928 OD2 ASP A 92 2.990 -16.726 -3.494 1.00 2.05 O ATOM 0 H ASP A 92 5.566 -12.731 -4.181 1.00 0.81 H new ATOM 0 HA ASP A 92 5.978 -15.565 -4.104 1.00 0.86 H new ATOM 0 HB2 ASP A 92 4.206 -13.779 -3.045 1.00 1.09 H new ATOM 0 HB3 ASP A 92 3.264 -14.356 -4.405 1.00 1.09 H new ATOM 933 N ASP A 93 4.784 -14.302 -6.875 1.00 0.67 N ATOM 934 CA ASP A 93 4.552 -14.493 -8.291 1.00 0.66 C ATOM 935 C ASP A 93 5.392 -13.493 -9.129 1.00 0.67 C ATOM 936 O ASP A 93 5.287 -12.274 -8.929 1.00 0.59 O ATOM 937 CB ASP A 93 3.056 -14.282 -8.542 1.00 0.88 C ATOM 938 CG ASP A 93 2.155 -15.412 -8.024 1.00 0.91 C ATOM 939 OD1 ASP A 93 2.484 -16.611 -8.200 1.00 1.85 O ATOM 940 OD2 ASP A 93 1.083 -15.111 -7.451 1.00 1.58 O ATOM 0 H ASP A 93 4.694 -13.324 -6.599 1.00 0.67 H new ATOM 0 HA ASP A 93 4.854 -15.496 -8.592 1.00 0.66 H new ATOM 0 HB2 ASP A 93 2.751 -13.347 -8.072 1.00 0.88 H new ATOM 0 HB3 ASP A 93 2.893 -14.168 -9.614 1.00 0.88 H new ATOM 945 N PRO A 94 6.158 -13.958 -10.138 1.00 0.79 N ATOM 946 CA PRO A 94 6.941 -13.076 -11.014 1.00 0.81 C ATOM 947 C PRO A 94 6.042 -12.173 -11.869 1.00 0.74 C ATOM 948 O PRO A 94 6.456 -11.134 -12.372 1.00 0.75 O ATOM 949 CB PRO A 94 7.766 -14.021 -11.887 1.00 1.05 C ATOM 950 CG PRO A 94 6.894 -15.271 -11.981 1.00 1.11 C ATOM 951 CD PRO A 94 6.263 -15.338 -10.594 1.00 0.97 C ATOM 0 HA PRO A 94 7.567 -12.394 -10.438 1.00 0.81 H new ATOM 0 HB2 PRO A 94 7.960 -13.592 -12.870 1.00 1.05 H new ATOM 0 HB3 PRO A 94 8.735 -14.240 -11.438 1.00 1.05 H new ATOM 0 HG2 PRO A 94 6.142 -15.183 -12.765 1.00 1.11 H new ATOM 0 HG3 PRO A 94 7.483 -16.161 -12.202 1.00 1.11 H new ATOM 0 HD2 PRO A 94 5.282 -15.812 -10.633 1.00 0.97 H new ATOM 0 HD3 PRO A 94 6.876 -15.929 -9.914 1.00 0.97 H new ATOM 959 N GLU A 95 4.780 -12.559 -12.027 1.00 0.75 N ATOM 960 CA GLU A 95 3.700 -11.790 -12.610 1.00 0.76 C ATOM 961 C GLU A 95 3.380 -10.529 -11.799 1.00 0.61 C ATOM 962 O GLU A 95 3.228 -9.444 -12.363 1.00 0.63 O ATOM 963 CB GLU A 95 2.499 -12.722 -12.648 1.00 0.85 C ATOM 964 CG GLU A 95 2.766 -14.033 -13.406 1.00 0.97 C ATOM 965 CD GLU A 95 3.225 -13.809 -14.851 1.00 1.74 C ATOM 966 OE1 GLU A 95 2.356 -13.655 -15.743 1.00 3.05 O ATOM 967 OE2 GLU A 95 4.450 -13.770 -15.121 1.00 2.69 O ATOM 0 H GLU A 95 4.469 -13.483 -11.728 1.00 0.75 H new ATOM 0 HA GLU A 95 3.977 -11.438 -13.604 1.00 0.76 H new ATOM 0 HB2 GLU A 95 2.198 -12.956 -11.627 1.00 0.85 H new ATOM 0 HB3 GLU A 95 1.662 -12.204 -13.116 1.00 0.85 H new ATOM 0 HG2 GLU A 95 3.526 -14.605 -12.874 1.00 0.97 H new ATOM 0 HG3 GLU A 95 1.858 -14.636 -13.409 1.00 0.97 H new ATOM 974 N LEU A 96 3.342 -10.656 -10.467 1.00 0.50 N ATOM 975 CA LEU A 96 3.198 -9.515 -9.567 1.00 0.40 C ATOM 976 C LEU A 96 4.474 -8.670 -9.588 1.00 0.34 C ATOM 977 O LEU A 96 4.392 -7.445 -9.650 1.00 0.36 O ATOM 978 CB LEU A 96 2.908 -9.956 -8.119 1.00 0.44 C ATOM 979 CG LEU A 96 1.514 -10.540 -7.840 1.00 0.44 C ATOM 980 CD1 LEU A 96 1.465 -10.987 -6.378 1.00 0.51 C ATOM 981 CD2 LEU A 96 0.399 -9.515 -8.060 1.00 0.58 C ATOM 0 H LEU A 96 3.410 -11.554 -9.987 1.00 0.50 H new ATOM 0 HA LEU A 96 2.350 -8.928 -9.920 1.00 0.40 H new ATOM 0 HB2 LEU A 96 3.652 -10.701 -7.835 1.00 0.44 H new ATOM 0 HB3 LEU A 96 3.053 -9.095 -7.466 1.00 0.44 H new ATOM 0 HG LEU A 96 1.354 -11.369 -8.530 1.00 0.44 H new ATOM 0 HD11 LEU A 96 0.483 -11.405 -6.158 1.00 0.51 H new ATOM 0 HD12 LEU A 96 2.229 -11.744 -6.203 1.00 0.51 H new ATOM 0 HD13 LEU A 96 1.648 -10.130 -5.729 1.00 0.51 H new ATOM 0 HD21 LEU A 96 -0.566 -9.976 -7.850 1.00 0.58 H new ATOM 0 HD22 LEU A 96 0.548 -8.666 -7.393 1.00 0.58 H new ATOM 0 HD23 LEU A 96 0.419 -9.171 -9.094 1.00 0.58 H new ATOM 993 N ARG A 97 5.645 -9.323 -9.577 1.00 0.40 N ATOM 994 CA ARG A 97 6.951 -8.639 -9.569 1.00 0.47 C ATOM 995 C ARG A 97 7.135 -7.746 -10.800 1.00 0.48 C ATOM 996 O ARG A 97 7.321 -6.536 -10.680 1.00 0.49 O ATOM 997 CB ARG A 97 8.070 -9.687 -9.427 1.00 0.56 C ATOM 998 CG ARG A 97 9.309 -9.141 -8.699 1.00 0.66 C ATOM 999 CD ARG A 97 10.207 -10.326 -8.335 1.00 0.86 C ATOM 1000 NE ARG A 97 11.464 -9.918 -7.680 1.00 1.91 N ATOM 1001 CZ ARG A 97 12.614 -10.561 -7.765 1.00 2.33 C ATOM 1002 NH1 ARG A 97 12.770 -11.657 -8.442 1.00 1.72 N ATOM 1003 NH2 ARG A 97 13.666 -10.117 -7.151 1.00 3.90 N ATOM 0 H ARG A 97 5.716 -10.341 -9.573 1.00 0.40 H new ATOM 0 HA ARG A 97 6.998 -7.967 -8.712 1.00 0.47 H new ATOM 0 HB2 ARG A 97 7.686 -10.550 -8.884 1.00 0.56 H new ATOM 0 HB3 ARG A 97 8.361 -10.037 -10.417 1.00 0.56 H new ATOM 0 HG2 ARG A 97 9.846 -8.438 -9.336 1.00 0.66 H new ATOM 0 HG3 ARG A 97 9.014 -8.597 -7.802 1.00 0.66 H new ATOM 0 HD2 ARG A 97 9.661 -10.999 -7.673 1.00 0.86 H new ATOM 0 HD3 ARG A 97 10.441 -10.888 -9.239 1.00 0.86 H new ATOM 0 HE ARG A 97 11.443 -9.069 -7.115 1.00 1.91 H new ATOM 0 HH11 ARG A 97 11.980 -12.064 -8.943 1.00 1.72 H new ATOM 0 HH12 ARG A 97 13.682 -12.112 -8.473 1.00 1.72 H new ATOM 0 HH21 ARG A 97 13.610 -9.263 -6.596 1.00 3.90 H new ATOM 0 HH22 ARG A 97 14.550 -10.621 -7.223 1.00 3.90 H new ATOM 1017 N GLN A 98 6.985 -8.315 -11.994 1.00 0.51 N ATOM 1018 CA GLN A 98 7.083 -7.569 -13.249 1.00 0.54 C ATOM 1019 C GLN A 98 5.934 -6.589 -13.428 1.00 0.50 C ATOM 1020 O GLN A 98 6.144 -5.447 -13.860 1.00 0.56 O ATOM 1021 CB GLN A 98 7.124 -8.563 -14.415 1.00 0.61 C ATOM 1022 CG GLN A 98 7.572 -7.926 -15.741 1.00 0.95 C ATOM 1023 CD GLN A 98 6.405 -7.625 -16.678 1.00 1.98 C ATOM 1024 OE1 GLN A 98 6.029 -8.437 -17.516 1.00 3.07 O ATOM 1025 NE2 GLN A 98 5.766 -6.484 -16.550 1.00 2.73 N ATOM 0 H GLN A 98 6.792 -9.309 -12.120 1.00 0.51 H new ATOM 0 HA GLN A 98 7.998 -6.978 -13.225 1.00 0.54 H new ATOM 0 HB2 GLN A 98 7.802 -9.379 -14.164 1.00 0.61 H new ATOM 0 HB3 GLN A 98 6.134 -9.000 -14.546 1.00 0.61 H new ATOM 0 HG2 GLN A 98 8.111 -7.002 -15.531 1.00 0.95 H new ATOM 0 HG3 GLN A 98 8.271 -8.596 -16.242 1.00 0.95 H new ATOM 0 HE21 GLN A 98 6.072 -5.803 -15.855 1.00 2.73 H new ATOM 0 HE22 GLN A 98 4.964 -6.279 -17.145 1.00 2.73 H new ATOM 1034 N GLY A 99 4.731 -7.035 -13.062 1.00 0.45 N ATOM 1035 CA GLY A 99 3.545 -6.190 -13.062 1.00 0.43 C ATOM 1036 C GLY A 99 3.771 -4.892 -12.286 1.00 0.43 C ATOM 1037 O GLY A 99 3.477 -3.817 -12.803 1.00 0.49 O ATOM 0 H GLY A 99 4.556 -7.993 -12.758 1.00 0.45 H new ATOM 0 HA2 GLY A 99 3.266 -5.955 -14.089 1.00 0.43 H new ATOM 0 HA3 GLY A 99 2.710 -6.736 -12.622 1.00 0.43 H new ATOM 1041 N ILE A 100 4.381 -4.953 -11.096 1.00 0.42 N ATOM 1042 CA ILE A 100 4.600 -3.766 -10.271 1.00 0.53 C ATOM 1043 C ILE A 100 5.833 -2.963 -10.704 1.00 0.65 C ATOM 1044 O ILE A 100 5.800 -1.733 -10.619 1.00 0.75 O ATOM 1045 CB ILE A 100 4.541 -4.131 -8.787 1.00 0.56 C ATOM 1046 CG1 ILE A 100 3.979 -2.981 -7.941 1.00 0.64 C ATOM 1047 CG2 ILE A 100 5.883 -4.593 -8.200 1.00 0.60 C ATOM 1048 CD1 ILE A 100 2.641 -2.345 -8.352 1.00 0.76 C ATOM 0 H ILE A 100 4.732 -5.818 -10.684 1.00 0.42 H new ATOM 0 HA ILE A 100 3.782 -3.065 -10.436 1.00 0.53 H new ATOM 0 HB ILE A 100 3.864 -4.984 -8.741 1.00 0.56 H new ATOM 0 HG12 ILE A 100 3.871 -3.345 -6.919 1.00 0.64 H new ATOM 0 HG13 ILE A 100 4.728 -2.190 -7.920 1.00 0.64 H new ATOM 0 HG21 ILE A 100 5.755 -4.833 -7.144 1.00 0.60 H new ATOM 0 HG22 ILE A 100 6.228 -5.478 -8.734 1.00 0.60 H new ATOM 0 HG23 ILE A 100 6.619 -3.796 -8.305 1.00 0.60 H new ATOM 0 HD11 ILE A 100 2.386 -1.549 -7.652 1.00 0.76 H new ATOM 0 HD12 ILE A 100 2.728 -1.931 -9.356 1.00 0.76 H new ATOM 0 HD13 ILE A 100 1.858 -3.104 -8.339 1.00 0.76 H new ATOM 1060 N LYS A 101 6.877 -3.617 -11.239 1.00 0.70 N ATOM 1061 CA LYS A 101 8.041 -2.947 -11.855 1.00 0.85 C ATOM 1062 C LYS A 101 7.652 -2.053 -13.033 1.00 0.82 C ATOM 1063 O LYS A 101 8.191 -0.952 -13.166 1.00 0.91 O ATOM 1064 CB LYS A 101 9.078 -3.991 -12.299 1.00 0.97 C ATOM 1065 CG LYS A 101 9.843 -4.547 -11.086 1.00 1.05 C ATOM 1066 CD LYS A 101 10.625 -5.840 -11.358 1.00 1.18 C ATOM 1067 CE LYS A 101 11.771 -5.679 -12.364 1.00 2.01 C ATOM 1068 NZ LYS A 101 12.548 -6.937 -12.463 1.00 2.07 N ATOM 0 H LYS A 101 6.940 -4.635 -11.258 1.00 0.70 H new ATOM 0 HA LYS A 101 8.476 -2.298 -11.095 1.00 0.85 H new ATOM 0 HB2 LYS A 101 8.580 -4.805 -12.825 1.00 0.97 H new ATOM 0 HB3 LYS A 101 9.779 -3.539 -13.001 1.00 0.97 H new ATOM 0 HG2 LYS A 101 10.538 -3.786 -10.732 1.00 1.05 H new ATOM 0 HG3 LYS A 101 9.133 -4.731 -10.279 1.00 1.05 H new ATOM 0 HD2 LYS A 101 11.031 -6.211 -10.417 1.00 1.18 H new ATOM 0 HD3 LYS A 101 9.935 -6.598 -11.728 1.00 1.18 H new ATOM 0 HE2 LYS A 101 11.371 -5.413 -13.342 1.00 2.01 H new ATOM 0 HE3 LYS A 101 12.424 -4.863 -12.054 1.00 2.01 H new ATOM 0 HZ1 LYS A 101 13.321 -6.815 -13.148 1.00 2.07 H new ATOM 0 HZ2 LYS A 101 12.945 -7.174 -11.531 1.00 2.07 H new ATOM 0 HZ3 LYS A 101 11.924 -7.706 -12.780 1.00 2.07 H new ATOM 1082 N ASP A 102 6.685 -2.475 -13.852 1.00 0.72 N ATOM 1083 CA ASP A 102 6.113 -1.593 -14.876 1.00 0.71 C ATOM 1084 C ASP A 102 5.114 -0.583 -14.272 1.00 0.67 C ATOM 1085 O ASP A 102 5.296 0.631 -14.389 1.00 0.73 O ATOM 1086 CB ASP A 102 5.493 -2.427 -16.005 1.00 0.77 C ATOM 1087 CG ASP A 102 4.942 -1.535 -17.124 1.00 0.96 C ATOM 1088 OD1 ASP A 102 3.809 -1.019 -16.984 1.00 1.89 O ATOM 1089 OD2 ASP A 102 5.621 -1.323 -18.155 1.00 1.70 O ATOM 0 H ASP A 102 6.284 -3.413 -13.828 1.00 0.72 H new ATOM 0 HA ASP A 102 6.918 -0.997 -15.306 1.00 0.71 H new ATOM 0 HB2 ASP A 102 6.244 -3.103 -16.414 1.00 0.77 H new ATOM 0 HB3 ASP A 102 4.691 -3.046 -15.603 1.00 0.77 H new ATOM 1094 N TYR A 103 4.062 -1.065 -13.599 1.00 0.64 N ATOM 1095 CA TYR A 103 2.913 -0.257 -13.172 1.00 0.65 C ATOM 1096 C TYR A 103 3.274 0.866 -12.184 1.00 0.73 C ATOM 1097 O TYR A 103 2.697 1.953 -12.250 1.00 0.82 O ATOM 1098 CB TYR A 103 1.889 -1.226 -12.571 1.00 0.62 C ATOM 1099 CG TYR A 103 0.517 -0.662 -12.291 1.00 0.56 C ATOM 1100 CD1 TYR A 103 0.267 0.023 -11.090 1.00 1.78 C ATOM 1101 CD2 TYR A 103 -0.526 -0.896 -13.205 1.00 1.74 C ATOM 1102 CE1 TYR A 103 -1.045 0.446 -10.787 1.00 1.88 C ATOM 1103 CE2 TYR A 103 -1.839 -0.485 -12.900 1.00 1.67 C ATOM 1104 CZ TYR A 103 -2.101 0.190 -11.690 1.00 0.62 C ATOM 1105 OH TYR A 103 -3.365 0.611 -11.412 1.00 0.73 O ATOM 0 H TYR A 103 3.984 -2.046 -13.331 1.00 0.64 H new ATOM 0 HA TYR A 103 2.507 0.269 -14.036 1.00 0.65 H new ATOM 0 HB2 TYR A 103 1.779 -2.072 -13.250 1.00 0.62 H new ATOM 0 HB3 TYR A 103 2.295 -1.617 -11.638 1.00 0.62 H new ATOM 0 HD1 TYR A 103 1.075 0.225 -10.402 1.00 1.78 H new ATOM 0 HD2 TYR A 103 -0.320 -1.392 -14.142 1.00 1.74 H new ATOM 0 HE1 TYR A 103 -1.242 0.967 -9.862 1.00 1.88 H new ATOM 0 HE2 TYR A 103 -2.643 -0.687 -13.592 1.00 1.67 H new ATOM 0 HH TYR A 103 -3.965 0.351 -12.142 1.00 0.73 H new ATOM 1115 N SER A 104 4.258 0.635 -11.305 1.00 0.76 N ATOM 1116 CA SER A 104 4.781 1.629 -10.352 1.00 0.83 C ATOM 1117 C SER A 104 6.065 2.331 -10.809 1.00 0.90 C ATOM 1118 O SER A 104 6.660 3.086 -10.036 1.00 1.08 O ATOM 1119 CB SER A 104 4.955 1.013 -8.961 1.00 0.85 C ATOM 1120 OG SER A 104 6.096 0.174 -8.855 1.00 2.34 O ATOM 0 H SER A 104 4.725 -0.269 -11.233 1.00 0.76 H new ATOM 0 HA SER A 104 4.026 2.414 -10.306 1.00 0.83 H new ATOM 0 HB2 SER A 104 5.032 1.813 -8.224 1.00 0.85 H new ATOM 0 HB3 SER A 104 4.064 0.436 -8.713 1.00 0.85 H new ATOM 0 HG SER A 104 5.906 -0.691 -9.274 1.00 2.34 H new ATOM 1126 N ASN A 105 6.510 2.074 -12.047 1.00 0.84 N ATOM 1127 CA ASN A 105 7.748 2.616 -12.643 1.00 0.92 C ATOM 1128 C ASN A 105 9.074 2.282 -11.901 1.00 0.94 C ATOM 1129 O ASN A 105 10.136 2.752 -12.316 1.00 1.15 O ATOM 1130 CB ASN A 105 7.544 4.136 -12.858 1.00 1.22 C ATOM 1131 CG ASN A 105 8.558 4.778 -13.782 1.00 1.71 C ATOM 1132 OD1 ASN A 105 8.517 4.619 -14.995 1.00 2.01 O ATOM 1133 ND2 ASN A 105 9.459 5.568 -13.254 1.00 2.10 N ATOM 0 H ASN A 105 6.003 1.462 -12.687 1.00 0.84 H new ATOM 0 HA ASN A 105 7.899 2.104 -13.593 1.00 0.92 H new ATOM 0 HB2 ASN A 105 6.545 4.303 -13.262 1.00 1.22 H new ATOM 0 HB3 ASN A 105 7.584 4.636 -11.890 1.00 1.22 H new ATOM 0 HD21 ASN A 105 10.128 6.052 -13.854 1.00 2.10 H new ATOM 0 HD22 ASN A 105 9.492 5.700 -12.243 1.00 2.10 H new ATOM 1140 N TRP A 106 9.055 1.511 -10.804 1.00 0.85 N ATOM 1141 CA TRP A 106 10.208 1.358 -9.902 1.00 0.86 C ATOM 1142 C TRP A 106 10.658 -0.108 -9.757 1.00 0.83 C ATOM 1143 O TRP A 106 9.806 -0.958 -9.477 1.00 0.82 O ATOM 1144 CB TRP A 106 9.879 1.980 -8.533 1.00 0.86 C ATOM 1145 CG TRP A 106 10.938 2.909 -8.031 1.00 1.15 C ATOM 1146 CD1 TRP A 106 11.810 2.664 -7.026 1.00 1.28 C ATOM 1147 CD2 TRP A 106 11.272 4.238 -8.538 1.00 1.50 C ATOM 1148 NE1 TRP A 106 12.644 3.753 -6.861 1.00 1.63 N ATOM 1149 CE2 TRP A 106 12.373 4.741 -7.781 1.00 1.80 C ATOM 1150 CE3 TRP A 106 10.765 5.062 -9.568 1.00 1.69 C ATOM 1151 CZ2 TRP A 106 12.951 5.992 -8.039 1.00 2.23 C ATOM 1152 CZ3 TRP A 106 11.340 6.322 -9.833 1.00 2.14 C ATOM 1153 CH2 TRP A 106 12.431 6.786 -9.075 1.00 2.40 C ATOM 0 H TRP A 106 8.237 0.974 -10.516 1.00 0.85 H new ATOM 0 HA TRP A 106 11.051 1.888 -10.345 1.00 0.86 H new ATOM 0 HB2 TRP A 106 8.936 2.522 -8.606 1.00 0.86 H new ATOM 0 HB3 TRP A 106 9.732 1.182 -7.806 1.00 0.86 H new ATOM 0 HD1 TRP A 106 11.848 1.756 -6.442 1.00 1.28 H new ATOM 0 HE1 TRP A 106 13.370 3.817 -6.147 1.00 1.63 H new ATOM 0 HE3 TRP A 106 9.927 4.723 -10.159 1.00 1.69 H new ATOM 0 HZ2 TRP A 106 13.785 6.341 -7.449 1.00 2.23 H new ATOM 0 HZ3 TRP A 106 10.939 6.937 -10.625 1.00 2.14 H new ATOM 0 HH2 TRP A 106 12.868 7.750 -9.289 1.00 2.40 H new ATOM 1164 N PRO A 107 11.970 -0.420 -9.849 1.00 0.96 N ATOM 1165 CA PRO A 107 12.512 -1.778 -9.691 1.00 1.03 C ATOM 1166 C PRO A 107 12.098 -2.475 -8.383 1.00 1.06 C ATOM 1167 O PRO A 107 11.790 -3.665 -8.384 1.00 1.14 O ATOM 1168 CB PRO A 107 14.036 -1.618 -9.776 1.00 1.16 C ATOM 1169 CG PRO A 107 14.204 -0.395 -10.673 1.00 1.82 C ATOM 1170 CD PRO A 107 13.032 0.487 -10.265 1.00 1.18 C ATOM 0 HA PRO A 107 12.110 -2.428 -10.468 1.00 1.03 H new ATOM 0 HB2 PRO A 107 14.481 -1.462 -8.793 1.00 1.16 H new ATOM 0 HB3 PRO A 107 14.511 -2.501 -10.204 1.00 1.16 H new ATOM 0 HG2 PRO A 107 15.160 0.101 -10.506 1.00 1.82 H new ATOM 0 HG3 PRO A 107 14.162 -0.660 -11.730 1.00 1.82 H new ATOM 0 HD2 PRO A 107 13.313 1.157 -9.453 1.00 1.18 H new ATOM 0 HD3 PRO A 107 12.707 1.113 -11.096 1.00 1.18 H new ATOM 1178 N THR A 108 12.048 -1.713 -7.286 1.00 1.04 N ATOM 1179 CA THR A 108 11.304 -2.018 -6.050 1.00 1.17 C ATOM 1180 C THR A 108 11.279 -0.783 -5.145 1.00 0.88 C ATOM 1181 O THR A 108 12.324 -0.220 -4.818 1.00 1.44 O ATOM 1182 CB THR A 108 11.837 -3.243 -5.274 1.00 2.06 C ATOM 1183 OG1 THR A 108 11.185 -3.351 -4.025 1.00 3.31 O ATOM 1184 CG2 THR A 108 13.325 -3.232 -4.968 1.00 1.95 C ATOM 0 H THR A 108 12.546 -0.825 -7.228 1.00 1.04 H new ATOM 0 HA THR A 108 10.294 -2.285 -6.359 1.00 1.17 H new ATOM 0 HB THR A 108 11.637 -4.077 -5.946 1.00 2.06 H new ATOM 0 HG1 THR A 108 11.529 -4.132 -3.543 1.00 3.31 H new ATOM 0 HG21 THR A 108 13.591 -4.137 -4.422 1.00 1.95 H new ATOM 0 HG22 THR A 108 13.888 -3.193 -5.901 1.00 1.95 H new ATOM 0 HG23 THR A 108 13.565 -2.358 -4.362 1.00 1.95 H new ATOM 1192 N ILE A 109 10.066 -0.353 -4.798 1.00 0.71 N ATOM 1193 CA ILE A 109 9.665 0.462 -3.638 1.00 0.62 C ATOM 1194 C ILE A 109 8.331 -0.100 -3.113 1.00 0.68 C ATOM 1195 O ILE A 109 7.434 -0.329 -3.940 1.00 1.31 O ATOM 1196 CB ILE A 109 9.540 1.952 -4.046 1.00 1.10 C ATOM 1197 CG1 ILE A 109 10.854 2.704 -3.764 1.00 2.15 C ATOM 1198 CG2 ILE A 109 8.348 2.720 -3.433 1.00 1.13 C ATOM 1199 CD1 ILE A 109 11.113 3.054 -2.290 1.00 3.58 C ATOM 0 H ILE A 109 9.257 -0.586 -5.374 1.00 0.71 H new ATOM 0 HA ILE A 109 10.415 0.414 -2.849 1.00 0.62 H new ATOM 0 HB ILE A 109 9.334 1.921 -5.116 1.00 1.10 H new ATOM 0 HG12 ILE A 109 11.684 2.098 -4.127 1.00 2.15 H new ATOM 0 HG13 ILE A 109 10.856 3.627 -4.344 1.00 2.15 H new ATOM 0 HG21 ILE A 109 8.359 3.751 -3.786 1.00 1.13 H new ATOM 0 HG22 ILE A 109 7.415 2.243 -3.733 1.00 1.13 H new ATOM 0 HG23 ILE A 109 8.428 2.708 -2.346 1.00 1.13 H new ATOM 0 HD11 ILE A 109 12.063 3.581 -2.203 1.00 3.58 H new ATOM 0 HD12 ILE A 109 10.309 3.691 -1.921 1.00 3.58 H new ATOM 0 HD13 ILE A 109 11.151 2.138 -1.700 1.00 3.58 H new ATOM 1211 N PRO A 110 8.124 -0.297 -1.797 1.00 0.49 N ATOM 1212 CA PRO A 110 6.856 -0.799 -1.300 1.00 0.54 C ATOM 1213 C PRO A 110 5.855 0.342 -1.087 1.00 0.54 C ATOM 1214 O PRO A 110 6.241 1.477 -0.794 1.00 0.62 O ATOM 1215 CB PRO A 110 7.204 -1.570 -0.041 1.00 0.89 C ATOM 1216 CG PRO A 110 8.407 -0.839 0.529 1.00 0.54 C ATOM 1217 CD PRO A 110 9.050 -0.136 -0.683 1.00 0.55 C ATOM 0 HA PRO A 110 6.348 -1.455 -2.007 1.00 0.54 H new ATOM 0 HB2 PRO A 110 6.372 -1.576 0.664 1.00 0.89 H new ATOM 0 HB3 PRO A 110 7.440 -2.610 -0.265 1.00 0.89 H new ATOM 0 HG2 PRO A 110 8.108 -0.119 1.291 1.00 0.54 H new ATOM 0 HG3 PRO A 110 9.104 -1.532 1.000 1.00 0.54 H new ATOM 0 HD2 PRO A 110 9.223 0.919 -0.472 1.00 0.55 H new ATOM 0 HD3 PRO A 110 10.019 -0.577 -0.918 1.00 0.55 H new ATOM 1225 N GLN A 111 4.569 0.064 -1.305 1.00 0.61 N ATOM 1226 CA GLN A 111 3.577 1.087 -1.643 1.00 0.64 C ATOM 1227 C GLN A 111 2.157 0.684 -1.224 1.00 0.39 C ATOM 1228 O GLN A 111 1.913 -0.471 -0.866 1.00 0.33 O ATOM 1229 CB GLN A 111 3.699 1.386 -3.157 1.00 1.00 C ATOM 1230 CG GLN A 111 3.588 0.149 -4.070 1.00 1.18 C ATOM 1231 CD GLN A 111 4.044 0.441 -5.494 1.00 1.07 C ATOM 1232 OE1 GLN A 111 3.243 0.672 -6.388 1.00 2.12 O ATOM 1233 NE2 GLN A 111 5.332 0.438 -5.762 1.00 1.34 N ATOM 0 H GLN A 111 4.184 -0.879 -1.252 1.00 0.61 H new ATOM 0 HA GLN A 111 3.778 1.999 -1.080 1.00 0.64 H new ATOM 0 HB2 GLN A 111 2.922 2.098 -3.436 1.00 1.00 H new ATOM 0 HB3 GLN A 111 4.657 1.872 -3.341 1.00 1.00 H new ATOM 0 HG2 GLN A 111 4.190 -0.661 -3.657 1.00 1.18 H new ATOM 0 HG3 GLN A 111 2.555 -0.198 -4.085 1.00 1.18 H new ATOM 0 HE21 GLN A 111 6.007 0.246 -5.021 1.00 1.34 H new ATOM 0 HE22 GLN A 111 5.656 0.628 -6.710 1.00 1.34 H new ATOM 1242 N VAL A 112 1.210 1.628 -1.255 1.00 0.39 N ATOM 1243 CA VAL A 112 -0.195 1.362 -0.955 1.00 0.38 C ATOM 1244 C VAL A 112 -1.099 2.144 -1.898 1.00 0.48 C ATOM 1245 O VAL A 112 -0.820 3.296 -2.248 1.00 0.68 O ATOM 1246 CB VAL A 112 -0.500 1.603 0.538 1.00 0.37 C ATOM 1247 CG1 VAL A 112 -0.397 3.062 0.988 1.00 0.44 C ATOM 1248 CG2 VAL A 112 -1.878 1.061 0.941 1.00 0.36 C ATOM 0 H VAL A 112 1.401 2.602 -1.490 1.00 0.39 H new ATOM 0 HA VAL A 112 -0.406 0.307 -1.132 1.00 0.38 H new ATOM 0 HB VAL A 112 0.288 1.050 1.050 1.00 0.37 H new ATOM 0 HG11 VAL A 112 -0.628 3.132 2.051 1.00 0.44 H new ATOM 0 HG12 VAL A 112 0.615 3.426 0.812 1.00 0.44 H new ATOM 0 HG13 VAL A 112 -1.104 3.668 0.422 1.00 0.44 H new ATOM 0 HG21 VAL A 112 -2.049 1.253 2.000 1.00 0.36 H new ATOM 0 HG22 VAL A 112 -2.650 1.557 0.353 1.00 0.36 H new ATOM 0 HG23 VAL A 112 -1.915 -0.013 0.757 1.00 0.36 H new ATOM 1258 N TYR A 113 -2.177 1.486 -2.311 1.00 0.43 N ATOM 1259 CA TYR A 113 -3.253 2.053 -3.118 1.00 0.43 C ATOM 1260 C TYR A 113 -4.544 2.042 -2.308 1.00 0.40 C ATOM 1261 O TYR A 113 -4.888 1.014 -1.713 1.00 0.39 O ATOM 1262 CB TYR A 113 -3.435 1.251 -4.415 1.00 0.43 C ATOM 1263 CG TYR A 113 -2.240 1.293 -5.344 1.00 0.46 C ATOM 1264 CD1 TYR A 113 -1.078 0.571 -5.024 1.00 1.33 C ATOM 1265 CD2 TYR A 113 -2.296 2.030 -6.540 1.00 1.58 C ATOM 1266 CE1 TYR A 113 0.041 0.613 -5.870 1.00 1.30 C ATOM 1267 CE2 TYR A 113 -1.184 2.055 -7.401 1.00 1.66 C ATOM 1268 CZ TYR A 113 -0.003 1.368 -7.060 1.00 0.64 C ATOM 1269 OH TYR A 113 1.089 1.444 -7.868 1.00 0.79 O ATOM 0 H TYR A 113 -2.332 0.504 -2.084 1.00 0.43 H new ATOM 0 HA TYR A 113 -2.998 3.078 -3.386 1.00 0.43 H new ATOM 0 HB2 TYR A 113 -3.646 0.213 -4.160 1.00 0.43 H new ATOM 0 HB3 TYR A 113 -4.307 1.633 -4.946 1.00 0.43 H new ATOM 0 HD1 TYR A 113 -1.046 -0.020 -4.121 1.00 1.33 H new ATOM 0 HD2 TYR A 113 -3.192 2.576 -6.797 1.00 1.58 H new ATOM 0 HE1 TYR A 113 0.936 0.067 -5.610 1.00 1.30 H new ATOM 0 HE2 TYR A 113 -1.236 2.604 -8.329 1.00 1.66 H new ATOM 0 HH TYR A 113 1.903 1.398 -7.324 1.00 0.79 H new ATOM 1279 N LEU A 114 -5.268 3.165 -2.298 1.00 0.38 N ATOM 1280 CA LEU A 114 -6.564 3.258 -1.626 1.00 0.35 C ATOM 1281 C LEU A 114 -7.700 3.390 -2.631 1.00 0.38 C ATOM 1282 O LEU A 114 -7.705 4.294 -3.466 1.00 0.46 O ATOM 1283 CB LEU A 114 -6.605 4.343 -0.541 1.00 0.37 C ATOM 1284 CG LEU A 114 -6.404 3.780 0.879 1.00 0.35 C ATOM 1285 CD1 LEU A 114 -4.976 3.323 1.112 1.00 0.38 C ATOM 1286 CD2 LEU A 114 -6.792 4.833 1.913 1.00 0.50 C ATOM 0 H LEU A 114 -4.973 4.029 -2.753 1.00 0.38 H new ATOM 0 HA LEU A 114 -6.710 2.318 -1.094 1.00 0.35 H new ATOM 0 HB2 LEU A 114 -5.832 5.083 -0.745 1.00 0.37 H new ATOM 0 HB3 LEU A 114 -7.563 4.861 -0.589 1.00 0.37 H new ATOM 0 HG LEU A 114 -7.048 2.907 0.984 1.00 0.35 H new ATOM 0 HD11 LEU A 114 -4.879 2.933 2.125 1.00 0.38 H new ATOM 0 HD12 LEU A 114 -4.723 2.540 0.397 1.00 0.38 H new ATOM 0 HD13 LEU A 114 -4.298 4.167 0.981 1.00 0.38 H new ATOM 0 HD21 LEU A 114 -6.648 4.429 2.915 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -6.167 5.717 1.784 1.00 0.50 H new ATOM 0 HD23 LEU A 114 -7.839 5.106 1.779 1.00 0.50 H new ATOM 1298 N ASN A 115 -8.661 2.470 -2.539 1.00 0.35 N ATOM 1299 CA ASN A 115 -9.773 2.345 -3.486 1.00 0.37 C ATOM 1300 C ASN A 115 -9.316 2.274 -4.966 1.00 0.45 C ATOM 1301 O ASN A 115 -9.936 2.851 -5.863 1.00 0.51 O ATOM 1302 CB ASN A 115 -10.806 3.442 -3.197 1.00 0.43 C ATOM 1303 CG ASN A 115 -12.211 3.005 -3.575 1.00 0.59 C ATOM 1304 OD1 ASN A 115 -12.461 1.937 -4.120 1.00 0.74 O ATOM 1305 ND2 ASN A 115 -13.191 3.783 -3.214 1.00 0.77 N ATOM 0 H ASN A 115 -8.690 1.777 -1.791 1.00 0.35 H new ATOM 0 HA ASN A 115 -10.258 1.381 -3.333 1.00 0.37 H new ATOM 0 HB2 ASN A 115 -10.777 3.699 -2.138 1.00 0.43 H new ATOM 0 HB3 ASN A 115 -10.544 4.344 -3.751 1.00 0.43 H new ATOM 0 HD21 ASN A 115 -14.156 3.501 -3.386 1.00 0.77 H new ATOM 0 HD22 ASN A 115 -12.994 4.674 -2.759 1.00 0.77 H new ATOM 1312 N GLY A 116 -8.171 1.625 -5.201 1.00 0.53 N ATOM 1313 CA GLY A 116 -7.499 1.515 -6.495 1.00 0.61 C ATOM 1314 C GLY A 116 -6.751 2.760 -7.024 1.00 0.68 C ATOM 1315 O GLY A 116 -6.280 2.750 -8.166 1.00 0.84 O ATOM 0 H GLY A 116 -7.666 1.141 -4.459 1.00 0.53 H new ATOM 0 HA2 GLY A 116 -6.783 0.695 -6.433 1.00 0.61 H new ATOM 0 HA3 GLY A 116 -8.245 1.231 -7.237 1.00 0.61 H new ATOM 1319 N GLU A 117 -6.605 3.839 -6.245 1.00 0.65 N ATOM 1320 CA GLU A 117 -5.797 5.009 -6.623 1.00 0.72 C ATOM 1321 C GLU A 117 -4.433 4.989 -5.930 1.00 0.54 C ATOM 1322 O GLU A 117 -4.311 4.608 -4.765 1.00 0.46 O ATOM 1323 CB GLU A 117 -6.583 6.317 -6.438 1.00 0.92 C ATOM 1324 CG GLU A 117 -5.703 7.536 -6.659 1.00 1.23 C ATOM 1325 CD GLU A 117 -6.428 8.882 -6.764 1.00 1.60 C ATOM 1326 OE1 GLU A 117 -7.473 9.110 -6.111 1.00 2.58 O ATOM 1327 OE2 GLU A 117 -5.950 9.748 -7.539 1.00 2.12 O ATOM 0 H GLU A 117 -7.046 3.927 -5.329 1.00 0.65 H new ATOM 0 HA GLU A 117 -5.580 4.954 -7.690 1.00 0.72 H new ATOM 0 HB2 GLU A 117 -7.420 6.341 -7.136 1.00 0.92 H new ATOM 0 HB3 GLU A 117 -7.005 6.350 -5.433 1.00 0.92 H new ATOM 0 HG2 GLU A 117 -4.987 7.595 -5.839 1.00 1.23 H new ATOM 0 HG3 GLU A 117 -5.129 7.383 -7.573 1.00 1.23 H new ATOM 1334 N PHE A 118 -3.404 5.413 -6.666 1.00 0.56 N ATOM 1335 CA PHE A 118 -2.056 5.604 -6.157 1.00 0.55 C ATOM 1336 C PHE A 118 -1.936 6.868 -5.324 1.00 0.54 C ATOM 1337 O PHE A 118 -2.519 7.927 -5.575 1.00 0.63 O ATOM 1338 CB PHE A 118 -1.060 5.635 -7.313 1.00 0.66 C ATOM 1339 CG PHE A 118 0.395 5.868 -6.948 1.00 0.89 C ATOM 1340 CD1 PHE A 118 1.044 5.110 -5.951 1.00 1.96 C ATOM 1341 CD2 PHE A 118 1.114 6.847 -7.653 1.00 2.24 C ATOM 1342 CE1 PHE A 118 2.421 5.286 -5.721 1.00 2.07 C ATOM 1343 CE2 PHE A 118 2.480 7.056 -7.392 1.00 2.48 C ATOM 1344 CZ PHE A 118 3.138 6.263 -6.435 1.00 1.55 C ATOM 0 H PHE A 118 -3.493 5.637 -7.657 1.00 0.56 H new ATOM 0 HA PHE A 118 -1.827 4.762 -5.504 1.00 0.55 H new ATOM 0 HB2 PHE A 118 -1.130 4.688 -7.849 1.00 0.66 H new ATOM 0 HB3 PHE A 118 -1.367 6.417 -8.007 1.00 0.66 H new ATOM 0 HD1 PHE A 118 0.485 4.396 -5.365 1.00 1.96 H new ATOM 0 HD2 PHE A 118 0.614 7.444 -8.401 1.00 2.24 H new ATOM 0 HE1 PHE A 118 2.929 4.669 -4.994 1.00 2.07 H new ATOM 0 HE2 PHE A 118 3.022 7.823 -7.925 1.00 2.48 H new ATOM 0 HZ PHE A 118 4.192 6.404 -6.249 1.00 1.55 H new ATOM 1354 N VAL A 119 -1.188 6.666 -4.260 1.00 0.48 N ATOM 1355 CA VAL A 119 -1.499 7.170 -2.936 1.00 0.42 C ATOM 1356 C VAL A 119 -0.177 7.265 -2.203 1.00 0.55 C ATOM 1357 O VAL A 119 0.196 8.366 -1.817 1.00 0.70 O ATOM 1358 CB VAL A 119 -2.539 6.196 -2.354 1.00 0.52 C ATOM 1359 CG1 VAL A 119 -2.442 5.800 -0.902 1.00 0.87 C ATOM 1360 CG2 VAL A 119 -3.915 6.823 -2.570 1.00 1.51 C ATOM 0 H VAL A 119 -0.320 6.131 -4.292 1.00 0.48 H new ATOM 0 HA VAL A 119 -1.945 8.163 -2.881 1.00 0.42 H new ATOM 0 HB VAL A 119 -2.347 5.263 -2.884 1.00 0.52 H new ATOM 0 HG11 VAL A 119 -3.250 5.110 -0.658 1.00 0.87 H new ATOM 0 HG12 VAL A 119 -1.483 5.314 -0.721 1.00 0.87 H new ATOM 0 HG13 VAL A 119 -2.522 6.689 -0.276 1.00 0.87 H new ATOM 0 HG21 VAL A 119 -4.683 6.161 -2.170 1.00 1.51 H new ATOM 0 HG22 VAL A 119 -3.961 7.784 -2.058 1.00 1.51 H new ATOM 0 HG23 VAL A 119 -4.084 6.972 -3.637 1.00 1.51 H new ATOM 1370 N GLY A 120 0.637 6.203 -2.263 1.00 0.55 N ATOM 1371 CA GLY A 120 2.065 6.409 -2.473 1.00 0.58 C ATOM 1372 C GLY A 120 2.973 5.227 -2.148 1.00 0.45 C ATOM 1373 O GLY A 120 2.531 4.208 -1.614 1.00 0.48 O ATOM 0 H GLY A 120 0.342 5.231 -2.173 1.00 0.55 H new ATOM 0 HA2 GLY A 120 2.221 6.684 -3.516 1.00 0.58 H new ATOM 0 HA3 GLY A 120 2.381 7.259 -1.869 1.00 0.58 H new ATOM 1377 N GLY A 121 4.259 5.372 -2.479 1.00 0.46 N ATOM 1378 CA GLY A 121 5.328 4.536 -1.931 1.00 0.43 C ATOM 1379 C GLY A 121 5.725 4.966 -0.514 1.00 0.41 C ATOM 1380 O GLY A 121 5.288 6.006 -0.021 1.00 0.40 O ATOM 0 H GLY A 121 4.589 6.077 -3.138 1.00 0.46 H new ATOM 0 HA2 GLY A 121 5.003 3.496 -1.916 1.00 0.43 H new ATOM 0 HA3 GLY A 121 6.200 4.589 -2.583 1.00 0.43 H new ATOM 1384 N CYS A 122 6.556 4.173 0.162 1.00 0.45 N ATOM 1385 CA CYS A 122 6.937 4.400 1.560 1.00 0.47 C ATOM 1386 C CYS A 122 7.549 5.795 1.832 1.00 0.51 C ATOM 1387 O CYS A 122 7.311 6.376 2.893 1.00 0.62 O ATOM 1388 CB CYS A 122 7.891 3.261 1.961 1.00 0.55 C ATOM 1389 SG CYS A 122 8.225 3.272 3.746 1.00 0.76 S ATOM 0 H CYS A 122 6.989 3.346 -0.248 1.00 0.45 H new ATOM 0 HA CYS A 122 6.037 4.392 2.175 1.00 0.47 H new ATOM 0 HB2 CYS A 122 7.456 2.303 1.677 1.00 0.55 H new ATOM 0 HB3 CYS A 122 8.828 3.360 1.414 1.00 0.55 H new ATOM 0 HG CYS A 122 9.031 2.296 4.043 1.00 0.76 H new ATOM 1395 N ASP A 123 8.298 6.369 0.887 1.00 0.50 N ATOM 1396 CA ASP A 123 8.972 7.673 1.041 1.00 0.52 C ATOM 1397 C ASP A 123 8.034 8.879 0.812 1.00 0.55 C ATOM 1398 O ASP A 123 8.336 10.010 1.209 1.00 0.86 O ATOM 1399 CB ASP A 123 10.179 7.707 0.092 1.00 0.66 C ATOM 1400 CG ASP A 123 11.274 8.682 0.532 1.00 1.05 C ATOM 1401 OD1 ASP A 123 11.625 8.716 1.737 1.00 2.20 O ATOM 1402 OD2 ASP A 123 11.848 9.380 -0.338 1.00 1.90 O ATOM 0 H ASP A 123 8.459 5.939 -0.024 1.00 0.50 H new ATOM 0 HA ASP A 123 9.302 7.769 2.075 1.00 0.52 H new ATOM 0 HB2 ASP A 123 10.603 6.705 0.020 1.00 0.66 H new ATOM 0 HB3 ASP A 123 9.839 7.982 -0.906 1.00 0.66 H new ATOM 1407 N ILE A 124 6.884 8.619 0.181 1.00 0.44 N ATOM 1408 CA ILE A 124 5.727 9.517 0.045 1.00 0.42 C ATOM 1409 C ILE A 124 4.795 9.388 1.255 1.00 0.38 C ATOM 1410 O ILE A 124 4.385 10.392 1.836 1.00 0.39 O ATOM 1411 CB ILE A 124 4.998 9.192 -1.270 1.00 0.43 C ATOM 1412 CG1 ILE A 124 5.876 9.483 -2.498 1.00 0.49 C ATOM 1413 CG2 ILE A 124 3.655 9.930 -1.365 1.00 0.48 C ATOM 1414 CD1 ILE A 124 6.337 10.931 -2.698 1.00 1.10 C ATOM 0 H ILE A 124 6.724 7.722 -0.277 1.00 0.44 H new ATOM 0 HA ILE A 124 6.065 10.553 0.014 1.00 0.42 H new ATOM 0 HB ILE A 124 4.791 8.122 -1.263 1.00 0.43 H new ATOM 0 HG12 ILE A 124 6.762 8.851 -2.438 1.00 0.49 H new ATOM 0 HG13 ILE A 124 5.326 9.177 -3.388 1.00 0.49 H new ATOM 0 HG21 ILE A 124 3.167 9.677 -2.306 1.00 0.48 H new ATOM 0 HG22 ILE A 124 3.016 9.632 -0.534 1.00 0.48 H new ATOM 0 HG23 ILE A 124 3.827 11.006 -1.323 1.00 0.48 H new ATOM 0 HD11 ILE A 124 6.948 10.997 -3.599 1.00 1.10 H new ATOM 0 HD12 ILE A 124 5.467 11.579 -2.801 1.00 1.10 H new ATOM 0 HD13 ILE A 124 6.925 11.248 -1.837 1.00 1.10 H new ATOM 1426 N LEU A 125 4.506 8.154 1.680 1.00 0.36 N ATOM 1427 CA LEU A 125 3.618 7.834 2.804 1.00 0.32 C ATOM 1428 C LEU A 125 4.001 8.592 4.086 1.00 0.45 C ATOM 1429 O LEU A 125 3.124 9.074 4.802 1.00 0.53 O ATOM 1430 CB LEU A 125 3.686 6.309 3.042 1.00 0.32 C ATOM 1431 CG LEU A 125 2.621 5.754 4.004 1.00 0.52 C ATOM 1432 CD1 LEU A 125 1.225 5.788 3.384 1.00 0.72 C ATOM 1433 CD2 LEU A 125 2.930 4.293 4.331 1.00 0.61 C ATOM 0 H LEU A 125 4.896 7.322 1.237 1.00 0.36 H new ATOM 0 HA LEU A 125 2.604 8.146 2.553 1.00 0.32 H new ATOM 0 HB2 LEU A 125 3.587 5.802 2.082 1.00 0.32 H new ATOM 0 HB3 LEU A 125 4.673 6.061 3.434 1.00 0.32 H new ATOM 0 HG LEU A 125 2.642 6.380 4.896 1.00 0.52 H new ATOM 0 HD11 LEU A 125 0.502 5.388 4.094 1.00 0.72 H new ATOM 0 HD12 LEU A 125 0.961 6.817 3.138 1.00 0.72 H new ATOM 0 HD13 LEU A 125 1.215 5.184 2.477 1.00 0.72 H new ATOM 0 HD21 LEU A 125 2.173 3.905 5.012 1.00 0.61 H new ATOM 0 HD22 LEU A 125 2.927 3.706 3.413 1.00 0.61 H new ATOM 0 HD23 LEU A 125 3.911 4.225 4.802 1.00 0.61 H new ATOM 1445 N LEU A 126 5.308 8.750 4.326 1.00 0.53 N ATOM 1446 CA LEU A 126 5.863 9.490 5.466 1.00 0.71 C ATOM 1447 C LEU A 126 5.414 10.958 5.423 1.00 0.86 C ATOM 1448 O LEU A 126 4.895 11.486 6.398 1.00 1.39 O ATOM 1449 CB LEU A 126 7.408 9.379 5.448 1.00 0.89 C ATOM 1450 CG LEU A 126 8.135 9.366 6.805 1.00 1.22 C ATOM 1451 CD1 LEU A 126 7.811 10.579 7.673 1.00 1.43 C ATOM 1452 CD2 LEU A 126 7.831 8.100 7.601 1.00 1.30 C ATOM 0 H LEU A 126 6.027 8.357 3.718 1.00 0.53 H new ATOM 0 HA LEU A 126 5.491 9.057 6.395 1.00 0.71 H new ATOM 0 HB2 LEU A 126 7.674 8.466 4.915 1.00 0.89 H new ATOM 0 HB3 LEU A 126 7.798 10.213 4.865 1.00 0.89 H new ATOM 0 HG LEU A 126 9.195 9.398 6.554 1.00 1.22 H new ATOM 0 HD11 LEU A 126 8.355 10.508 8.615 1.00 1.43 H new ATOM 0 HD12 LEU A 126 8.106 11.489 7.151 1.00 1.43 H new ATOM 0 HD13 LEU A 126 6.740 10.607 7.874 1.00 1.43 H new ATOM 0 HD21 LEU A 126 8.364 8.131 8.551 1.00 1.30 H new ATOM 0 HD22 LEU A 126 6.759 8.036 7.788 1.00 1.30 H new ATOM 0 HD23 LEU A 126 8.153 7.227 7.033 1.00 1.30 H new ATOM 1464 N GLN A 127 5.526 11.600 4.261 1.00 0.59 N ATOM 1465 CA GLN A 127 5.132 12.995 4.054 1.00 0.59 C ATOM 1466 C GLN A 127 3.643 13.200 4.366 1.00 0.61 C ATOM 1467 O GLN A 127 3.259 14.098 5.124 1.00 0.79 O ATOM 1468 CB GLN A 127 5.387 13.385 2.585 1.00 0.57 C ATOM 1469 CG GLN A 127 6.744 12.979 1.988 1.00 0.62 C ATOM 1470 CD GLN A 127 7.942 13.321 2.862 1.00 0.73 C ATOM 1471 OE1 GLN A 127 8.102 14.445 3.326 1.00 0.89 O ATOM 1472 NE2 GLN A 127 8.818 12.374 3.110 1.00 0.76 N ATOM 0 H GLN A 127 5.900 11.158 3.421 1.00 0.59 H new ATOM 0 HA GLN A 127 5.722 13.619 4.725 1.00 0.59 H new ATOM 0 HB2 GLN A 127 4.600 12.942 1.974 1.00 0.57 H new ATOM 0 HB3 GLN A 127 5.287 14.467 2.498 1.00 0.57 H new ATOM 0 HG2 GLN A 127 6.739 11.905 1.803 1.00 0.62 H new ATOM 0 HG3 GLN A 127 6.863 13.468 1.021 1.00 0.62 H new ATOM 0 HE21 GLN A 127 8.683 11.440 2.723 1.00 0.76 H new ATOM 0 HE22 GLN A 127 9.633 12.573 3.690 1.00 0.76 H new ATOM 1481 N MET A 128 2.812 12.324 3.798 1.00 0.51 N ATOM 1482 CA MET A 128 1.360 12.418 3.812 1.00 0.48 C ATOM 1483 C MET A 128 0.728 12.063 5.155 1.00 0.50 C ATOM 1484 O MET A 128 -0.329 12.600 5.486 1.00 0.52 O ATOM 1485 CB MET A 128 0.836 11.451 2.763 1.00 0.42 C ATOM 1486 CG MET A 128 1.268 11.834 1.351 1.00 0.40 C ATOM 1487 SD MET A 128 0.508 10.809 0.087 1.00 0.42 S ATOM 1488 CE MET A 128 -1.193 11.368 0.285 1.00 0.45 C ATOM 0 H MET A 128 3.149 11.501 3.298 1.00 0.51 H new ATOM 0 HA MET A 128 1.094 13.456 3.612 1.00 0.48 H new ATOM 0 HB2 MET A 128 1.192 10.446 2.989 1.00 0.42 H new ATOM 0 HB3 MET A 128 -0.253 11.422 2.812 1.00 0.42 H new ATOM 0 HG2 MET A 128 1.012 12.878 1.168 1.00 0.40 H new ATOM 0 HG3 MET A 128 2.352 11.754 1.274 1.00 0.40 H new ATOM 0 HE1 MET A 128 -1.819 10.529 0.589 1.00 0.45 H new ATOM 0 HE2 MET A 128 -1.234 12.146 1.048 1.00 0.45 H new ATOM 0 HE3 MET A 128 -1.557 11.768 -0.661 1.00 0.45 H new ATOM 1498 N HIS A 129 1.370 11.189 5.934 1.00 0.52 N ATOM 1499 CA HIS A 129 0.939 10.828 7.298 1.00 0.54 C ATOM 1500 C HIS A 129 0.792 12.063 8.179 1.00 0.66 C ATOM 1501 O HIS A 129 -0.172 12.247 8.928 1.00 0.68 O ATOM 1502 CB HIS A 129 2.015 9.957 7.956 1.00 0.58 C ATOM 1503 CG HIS A 129 1.630 9.357 9.278 1.00 0.58 C ATOM 1504 ND1 HIS A 129 0.489 8.666 9.608 1.00 0.48 N ATOM 1505 CD2 HIS A 129 2.379 9.444 10.412 1.00 0.76 C ATOM 1506 CE1 HIS A 129 0.593 8.285 10.890 1.00 0.58 C ATOM 1507 NE2 HIS A 129 1.708 8.785 11.446 1.00 0.78 N ATOM 0 H HIS A 129 2.216 10.703 5.636 1.00 0.52 H new ATOM 0 HA HIS A 129 -0.016 10.310 7.210 1.00 0.54 H new ATOM 0 HB2 HIS A 129 2.276 9.150 7.271 1.00 0.58 H new ATOM 0 HB3 HIS A 129 2.912 10.560 8.096 1.00 0.58 H new ATOM 0 HD2 HIS A 129 3.334 9.940 10.498 1.00 0.76 H new ATOM 0 HE1 HIS A 129 -0.123 7.661 11.405 1.00 0.58 H new ATOM 0 HE2 HIS A 129 2.003 8.702 12.419 1.00 0.78 H new ATOM 1515 N GLN A 130 1.838 12.874 8.096 1.00 0.75 N ATOM 1516 CA GLN A 130 2.161 13.903 9.062 1.00 0.94 C ATOM 1517 C GLN A 130 1.533 15.251 8.624 1.00 1.01 C ATOM 1518 O GLN A 130 1.193 16.094 9.451 1.00 1.22 O ATOM 1519 CB GLN A 130 3.684 13.837 9.277 1.00 1.04 C ATOM 1520 CG GLN A 130 4.157 12.405 9.551 1.00 1.05 C ATOM 1521 CD GLN A 130 5.430 12.202 10.373 1.00 1.13 C ATOM 1522 OE1 GLN A 130 5.438 11.562 11.419 1.00 1.16 O ATOM 1523 NE2 GLN A 130 6.569 12.621 9.872 1.00 1.28 N ATOM 0 H GLN A 130 2.505 12.828 7.326 1.00 0.75 H new ATOM 0 HA GLN A 130 1.721 13.762 10.049 1.00 0.94 H new ATOM 0 HB2 GLN A 130 4.193 14.226 8.395 1.00 1.04 H new ATOM 0 HB3 GLN A 130 3.961 14.478 10.114 1.00 1.04 H new ATOM 0 HG2 GLN A 130 3.348 11.880 10.058 1.00 1.05 H new ATOM 0 HG3 GLN A 130 4.302 11.914 8.589 1.00 1.05 H new ATOM 0 HE21 GLN A 130 6.578 13.154 9.003 1.00 1.28 H new ATOM 0 HE22 GLN A 130 7.445 12.413 10.352 1.00 1.28 H new ATOM 1532 N ASN A 131 1.252 15.388 7.317 1.00 0.88 N ATOM 1533 CA ASN A 131 0.389 16.398 6.696 1.00 0.92 C ATOM 1534 C ASN A 131 -1.128 16.063 6.763 1.00 0.99 C ATOM 1535 O ASN A 131 -1.963 16.971 6.786 1.00 1.21 O ATOM 1536 CB ASN A 131 0.922 16.565 5.278 1.00 0.81 C ATOM 1537 CG ASN A 131 0.095 17.527 4.468 1.00 1.08 C ATOM 1538 OD1 ASN A 131 -0.251 18.629 4.871 1.00 2.30 O ATOM 1539 ND2 ASN A 131 -0.289 17.120 3.295 1.00 1.06 N ATOM 0 H ASN A 131 1.649 14.753 6.624 1.00 0.88 H new ATOM 0 HA ASN A 131 0.433 17.339 7.245 1.00 0.92 H new ATOM 0 HB2 ASN A 131 1.952 16.919 5.318 1.00 0.81 H new ATOM 0 HB3 ASN A 131 0.938 15.595 4.781 1.00 0.81 H new ATOM 0 HD21 ASN A 131 -0.876 17.719 2.715 1.00 1.06 H new ATOM 0 HD22 ASN A 131 -0.003 16.202 2.955 1.00 1.06 H new ATOM 1546 N GLY A 132 -1.511 14.778 6.808 1.00 0.88 N ATOM 1547 CA GLY A 132 -2.893 14.312 7.027 1.00 0.89 C ATOM 1548 C GLY A 132 -3.677 14.034 5.743 1.00 0.82 C ATOM 1549 O GLY A 132 -4.891 13.846 5.773 1.00 0.87 O ATOM 0 H GLY A 132 -0.850 14.010 6.690 1.00 0.88 H new ATOM 0 HA2 GLY A 132 -2.866 13.402 7.626 1.00 0.89 H new ATOM 0 HA3 GLY A 132 -3.428 15.062 7.610 1.00 0.89 H new ATOM 1553 N ASP A 133 -2.996 13.938 4.607 1.00 0.75 N ATOM 1554 CA ASP A 133 -3.591 13.626 3.301 1.00 0.73 C ATOM 1555 C ASP A 133 -3.878 12.118 3.143 1.00 0.61 C ATOM 1556 O ASP A 133 -4.532 11.719 2.181 1.00 0.75 O ATOM 1557 CB ASP A 133 -2.698 14.221 2.195 1.00 0.77 C ATOM 1558 CG ASP A 133 -2.915 15.727 1.985 1.00 0.79 C ATOM 1559 OD1 ASP A 133 -3.574 16.388 2.819 1.00 2.14 O ATOM 1560 OD2 ASP A 133 -2.418 16.287 0.980 1.00 1.59 O ATOM 0 H ASP A 133 -1.987 14.078 4.561 1.00 0.75 H new ATOM 0 HA ASP A 133 -4.573 14.092 3.216 1.00 0.73 H new ATOM 0 HB2 ASP A 133 -1.652 14.043 2.447 1.00 0.77 H new ATOM 0 HB3 ASP A 133 -2.894 13.698 1.259 1.00 0.77 H new ATOM 1565 N LEU A 134 -3.444 11.266 4.088 1.00 0.48 N ATOM 1566 CA LEU A 134 -3.892 9.863 4.143 1.00 0.40 C ATOM 1567 C LEU A 134 -5.305 9.759 4.724 1.00 0.44 C ATOM 1568 O LEU A 134 -6.057 8.830 4.450 1.00 0.45 O ATOM 1569 CB LEU A 134 -2.934 9.023 5.010 1.00 0.31 C ATOM 1570 CG LEU A 134 -1.462 9.045 4.576 1.00 0.29 C ATOM 1571 CD1 LEU A 134 -0.647 8.084 5.439 1.00 0.31 C ATOM 1572 CD2 LEU A 134 -1.297 8.665 3.108 1.00 0.30 C ATOM 0 H LEU A 134 -2.785 11.523 4.823 1.00 0.48 H new ATOM 0 HA LEU A 134 -3.895 9.481 3.122 1.00 0.40 H new ATOM 0 HB2 LEU A 134 -2.997 9.378 6.039 1.00 0.31 H new ATOM 0 HB3 LEU A 134 -3.280 7.990 5.007 1.00 0.31 H new ATOM 0 HG LEU A 134 -1.100 10.065 4.707 1.00 0.29 H new ATOM 0 HD11 LEU A 134 0.396 8.107 5.123 1.00 0.31 H new ATOM 0 HD12 LEU A 134 -0.716 8.385 6.484 1.00 0.31 H new ATOM 0 HD13 LEU A 134 -1.038 7.073 5.326 1.00 0.31 H new ATOM 0 HD21 LEU A 134 -0.240 8.693 2.841 1.00 0.30 H new ATOM 0 HD22 LEU A 134 -1.686 7.659 2.947 1.00 0.30 H new ATOM 0 HD23 LEU A 134 -1.847 9.371 2.485 1.00 0.30 H new ATOM 1584 N VAL A 135 -5.650 10.742 5.548 1.00 0.51 N ATOM 1585 CA VAL A 135 -6.873 10.807 6.341 1.00 0.60 C ATOM 1586 C VAL A 135 -8.037 11.226 5.470 1.00 0.67 C ATOM 1587 O VAL A 135 -9.089 10.604 5.493 1.00 0.80 O ATOM 1588 CB VAL A 135 -6.658 11.773 7.512 1.00 0.65 C ATOM 1589 CG1 VAL A 135 -7.641 11.512 8.625 1.00 0.74 C ATOM 1590 CG2 VAL A 135 -5.317 11.490 8.181 1.00 0.62 C ATOM 0 H VAL A 135 -5.054 11.557 5.688 1.00 0.51 H new ATOM 0 HA VAL A 135 -7.111 9.824 6.746 1.00 0.60 H new ATOM 0 HB VAL A 135 -6.746 12.775 7.093 1.00 0.65 H new ATOM 0 HG11 VAL A 135 -7.462 12.213 9.440 1.00 0.74 H new ATOM 0 HG12 VAL A 135 -8.657 11.641 8.251 1.00 0.74 H new ATOM 0 HG13 VAL A 135 -7.516 10.492 8.989 1.00 0.74 H new ATOM 0 HG21 VAL A 135 -5.172 12.181 9.012 1.00 0.62 H new ATOM 0 HG22 VAL A 135 -5.305 10.466 8.554 1.00 0.62 H new ATOM 0 HG23 VAL A 135 -4.514 11.621 7.456 1.00 0.62 H new ATOM 1600 N GLU A 136 -7.764 12.167 4.575 1.00 0.65 N ATOM 1601 CA GLU A 136 -8.603 12.546 3.455 1.00 0.79 C ATOM 1602 C GLU A 136 -9.125 11.300 2.717 1.00 0.72 C ATOM 1603 O GLU A 136 -10.313 11.154 2.426 1.00 0.73 O ATOM 1604 CB GLU A 136 -7.674 13.426 2.571 1.00 1.19 C ATOM 1605 CG GLU A 136 -7.520 12.992 1.114 1.00 3.91 C ATOM 1606 CD GLU A 136 -7.114 14.059 0.085 1.00 5.63 C ATOM 1607 OE1 GLU A 136 -6.852 15.231 0.448 1.00 5.79 O ATOM 1608 OE2 GLU A 136 -7.157 13.729 -1.129 1.00 7.42 O ATOM 0 H GLU A 136 -6.904 12.713 4.617 1.00 0.65 H new ATOM 0 HA GLU A 136 -9.501 13.088 3.750 1.00 0.79 H new ATOM 0 HB2 GLU A 136 -8.054 14.448 2.586 1.00 1.19 H new ATOM 0 HB3 GLU A 136 -6.685 13.447 3.029 1.00 1.19 H new ATOM 0 HG2 GLU A 136 -6.778 12.194 1.079 1.00 3.91 H new ATOM 0 HG3 GLU A 136 -8.467 12.560 0.792 1.00 3.91 H new ATOM 1615 N GLU A 137 -8.172 10.432 2.402 1.00 0.78 N ATOM 1616 CA GLU A 137 -8.320 9.211 1.607 1.00 0.82 C ATOM 1617 C GLU A 137 -9.160 8.153 2.338 1.00 0.77 C ATOM 1618 O GLU A 137 -10.088 7.585 1.763 1.00 0.83 O ATOM 1619 CB GLU A 137 -6.909 8.689 1.254 1.00 0.85 C ATOM 1620 CG GLU A 137 -6.844 7.979 -0.105 1.00 1.21 C ATOM 1621 CD GLU A 137 -7.134 8.931 -1.269 1.00 1.01 C ATOM 1622 OE1 GLU A 137 -6.499 10.008 -1.363 1.00 1.25 O ATOM 1623 OE2 GLU A 137 -8.077 8.677 -2.054 1.00 1.93 O ATOM 0 H GLU A 137 -7.210 10.568 2.714 1.00 0.78 H new ATOM 0 HA GLU A 137 -8.863 9.435 0.689 1.00 0.82 H new ATOM 0 HB2 GLU A 137 -6.210 9.526 1.252 1.00 0.85 H new ATOM 0 HB3 GLU A 137 -6.580 8.000 2.032 1.00 0.85 H new ATOM 0 HG2 GLU A 137 -5.856 7.538 -0.236 1.00 1.21 H new ATOM 0 HG3 GLU A 137 -7.563 7.160 -0.120 1.00 1.21 H new ATOM 1630 N LEU A 138 -8.904 7.964 3.638 1.00 0.67 N ATOM 1631 CA LEU A 138 -9.726 7.132 4.520 1.00 0.62 C ATOM 1632 C LEU A 138 -11.174 7.652 4.601 1.00 0.60 C ATOM 1633 O LEU A 138 -12.109 6.849 4.523 1.00 0.62 O ATOM 1634 CB LEU A 138 -9.057 7.064 5.909 1.00 0.55 C ATOM 1635 CG LEU A 138 -7.753 6.243 5.947 1.00 0.51 C ATOM 1636 CD1 LEU A 138 -7.048 6.444 7.289 1.00 0.52 C ATOM 1637 CD2 LEU A 138 -7.994 4.741 5.772 1.00 0.50 C ATOM 0 H LEU A 138 -8.108 8.391 4.112 1.00 0.67 H new ATOM 0 HA LEU A 138 -9.790 6.124 4.110 1.00 0.62 H new ATOM 0 HB2 LEU A 138 -8.844 8.078 6.246 1.00 0.55 H new ATOM 0 HB3 LEU A 138 -9.764 6.634 6.619 1.00 0.55 H new ATOM 0 HG LEU A 138 -7.143 6.599 5.117 1.00 0.51 H new ATOM 0 HD11 LEU A 138 -6.128 5.860 7.307 1.00 0.52 H new ATOM 0 HD12 LEU A 138 -6.811 7.500 7.421 1.00 0.52 H new ATOM 0 HD13 LEU A 138 -7.702 6.115 8.097 1.00 0.52 H new ATOM 0 HD21 LEU A 138 -7.041 4.213 5.807 1.00 0.50 H new ATOM 0 HD22 LEU A 138 -8.638 4.380 6.574 1.00 0.50 H new ATOM 0 HD23 LEU A 138 -8.474 4.559 4.811 1.00 0.50 H new ATOM 1649 N LYS A 139 -11.387 8.975 4.658 1.00 0.62 N ATOM 1650 CA LYS A 139 -12.735 9.566 4.722 1.00 0.68 C ATOM 1651 C LYS A 139 -13.550 9.380 3.439 1.00 0.74 C ATOM 1652 O LYS A 139 -14.767 9.219 3.544 1.00 0.76 O ATOM 1653 CB LYS A 139 -12.684 11.049 5.152 1.00 0.80 C ATOM 1654 CG LYS A 139 -12.147 11.242 6.578 1.00 0.74 C ATOM 1655 CD LYS A 139 -12.143 12.713 7.003 1.00 0.80 C ATOM 1656 CE LYS A 139 -11.350 12.899 8.305 1.00 0.82 C ATOM 1657 NZ LYS A 139 -11.381 14.314 8.735 1.00 1.10 N ATOM 0 H LYS A 139 -10.635 9.664 4.661 1.00 0.62 H new ATOM 0 HA LYS A 139 -13.266 9.007 5.492 1.00 0.68 H new ATOM 0 HB2 LYS A 139 -12.055 11.602 4.455 1.00 0.80 H new ATOM 0 HB3 LYS A 139 -13.685 11.475 5.086 1.00 0.80 H new ATOM 0 HG2 LYS A 139 -12.757 10.666 7.275 1.00 0.74 H new ATOM 0 HG3 LYS A 139 -11.133 10.846 6.639 1.00 0.74 H new ATOM 0 HD2 LYS A 139 -11.704 13.324 6.214 1.00 0.80 H new ATOM 0 HD3 LYS A 139 -13.167 13.059 7.142 1.00 0.80 H new ATOM 0 HE2 LYS A 139 -11.770 12.266 9.087 1.00 0.82 H new ATOM 0 HE3 LYS A 139 -10.318 12.580 8.157 1.00 0.82 H new ATOM 0 HZ1 LYS A 139 -10.840 14.421 9.617 1.00 1.10 H new ATOM 0 HZ2 LYS A 139 -10.959 14.911 7.995 1.00 1.10 H new ATOM 0 HZ3 LYS A 139 -12.366 14.606 8.896 1.00 1.10 H new ATOM 1671 N LYS A 140 -12.934 9.289 2.250 1.00 0.80 N ATOM 1672 CA LYS A 140 -13.648 8.927 0.999 1.00 0.90 C ATOM 1673 C LYS A 140 -14.285 7.536 1.116 1.00 0.90 C ATOM 1674 O LYS A 140 -15.464 7.351 0.813 1.00 1.13 O ATOM 1675 CB LYS A 140 -12.699 8.970 -0.215 1.00 1.14 C ATOM 1676 CG LYS A 140 -12.099 10.360 -0.473 1.00 1.21 C ATOM 1677 CD LYS A 140 -10.931 10.313 -1.473 1.00 1.47 C ATOM 1678 CE LYS A 140 -9.997 11.493 -1.184 1.00 1.52 C ATOM 1679 NZ LYS A 140 -8.800 11.522 -2.060 1.00 1.83 N ATOM 0 H LYS A 140 -11.937 9.461 2.121 1.00 0.80 H new ATOM 0 HA LYS A 140 -14.438 9.663 0.847 1.00 0.90 H new ATOM 0 HB2 LYS A 140 -11.890 8.257 -0.059 1.00 1.14 H new ATOM 0 HB3 LYS A 140 -13.242 8.647 -1.103 1.00 1.14 H new ATOM 0 HG2 LYS A 140 -12.875 11.024 -0.855 1.00 1.21 H new ATOM 0 HG3 LYS A 140 -11.752 10.784 0.469 1.00 1.21 H new ATOM 0 HD2 LYS A 140 -10.391 9.371 -1.381 1.00 1.47 H new ATOM 0 HD3 LYS A 140 -11.305 10.367 -2.495 1.00 1.47 H new ATOM 0 HE2 LYS A 140 -10.551 12.424 -1.306 1.00 1.52 H new ATOM 0 HE3 LYS A 140 -9.676 11.447 -0.143 1.00 1.52 H new ATOM 0 HZ1 LYS A 140 -7.974 11.833 -1.510 1.00 1.83 H new ATOM 0 HZ2 LYS A 140 -8.624 10.570 -2.439 1.00 1.83 H new ATOM 0 HZ3 LYS A 140 -8.961 12.183 -2.846 1.00 1.83 H new ATOM 1693 N LEU A 141 -13.534 6.576 1.658 1.00 0.80 N ATOM 1694 CA LEU A 141 -13.960 5.216 1.960 1.00 0.77 C ATOM 1695 C LEU A 141 -14.902 5.097 3.170 1.00 0.72 C ATOM 1696 O LEU A 141 -15.400 4.007 3.445 1.00 0.80 O ATOM 1697 CB LEU A 141 -12.674 4.402 2.161 1.00 0.70 C ATOM 1698 CG LEU A 141 -11.936 4.064 0.857 1.00 0.61 C ATOM 1699 CD1 LEU A 141 -10.594 3.404 1.158 1.00 2.12 C ATOM 1700 CD2 LEU A 141 -12.787 3.107 0.028 1.00 2.58 C ATOM 0 H LEU A 141 -12.559 6.739 1.910 1.00 0.80 H new ATOM 0 HA LEU A 141 -14.562 4.837 1.134 1.00 0.77 H new ATOM 0 HB2 LEU A 141 -12.001 4.960 2.812 1.00 0.70 H new ATOM 0 HB3 LEU A 141 -12.921 3.474 2.677 1.00 0.70 H new ATOM 0 HG LEU A 141 -11.762 4.987 0.304 1.00 0.61 H new ATOM 0 HD11 LEU A 141 -10.085 3.171 0.223 1.00 2.12 H new ATOM 0 HD12 LEU A 141 -9.978 4.084 1.747 1.00 2.12 H new ATOM 0 HD13 LEU A 141 -10.759 2.485 1.720 1.00 2.12 H new ATOM 0 HD21 LEU A 141 -12.265 2.866 -0.898 1.00 2.58 H new ATOM 0 HD22 LEU A 141 -12.963 2.193 0.595 1.00 2.58 H new ATOM 0 HD23 LEU A 141 -13.742 3.578 -0.206 1.00 2.58 H new ATOM 1712 N GLY A 142 -15.152 6.191 3.894 1.00 0.66 N ATOM 1713 CA GLY A 142 -15.939 6.206 5.127 1.00 0.66 C ATOM 1714 C GLY A 142 -15.212 5.636 6.351 1.00 0.67 C ATOM 1715 O GLY A 142 -15.837 5.466 7.403 1.00 0.82 O ATOM 0 H GLY A 142 -14.804 7.113 3.631 1.00 0.66 H new ATOM 0 HA2 GLY A 142 -16.236 7.233 5.342 1.00 0.66 H new ATOM 0 HA3 GLY A 142 -16.855 5.637 4.966 1.00 0.66 H new ATOM 1719 N ILE A 143 -13.911 5.343 6.231 1.00 0.59 N ATOM 1720 CA ILE A 143 -13.072 4.823 7.312 1.00 0.57 C ATOM 1721 C ILE A 143 -12.649 5.954 8.247 1.00 0.54 C ATOM 1722 O ILE A 143 -12.228 7.027 7.818 1.00 0.58 O ATOM 1723 CB ILE A 143 -11.816 4.076 6.796 1.00 0.55 C ATOM 1724 CG1 ILE A 143 -12.141 2.960 5.776 1.00 0.54 C ATOM 1725 CG2 ILE A 143 -11.072 3.500 8.021 1.00 0.59 C ATOM 1726 CD1 ILE A 143 -10.910 2.443 5.005 1.00 0.53 C ATOM 0 H ILE A 143 -13.402 5.465 5.356 1.00 0.59 H new ATOM 0 HA ILE A 143 -13.679 4.098 7.854 1.00 0.57 H new ATOM 0 HB ILE A 143 -11.191 4.786 6.255 1.00 0.55 H new ATOM 0 HG12 ILE A 143 -12.606 2.125 6.301 1.00 0.54 H new ATOM 0 HG13 ILE A 143 -12.874 3.336 5.062 1.00 0.54 H new ATOM 0 HG21 ILE A 143 -10.181 2.967 7.688 1.00 0.59 H new ATOM 0 HG22 ILE A 143 -10.781 4.313 8.686 1.00 0.59 H new ATOM 0 HG23 ILE A 143 -11.728 2.812 8.555 1.00 0.59 H new ATOM 0 HD11 ILE A 143 -11.218 1.663 4.309 1.00 0.53 H new ATOM 0 HD12 ILE A 143 -10.456 3.265 4.451 1.00 0.53 H new ATOM 0 HD13 ILE A 143 -10.184 2.036 5.709 1.00 0.53 H new ATOM 1738 N HIS A 144 -12.679 5.644 9.537 1.00 0.52 N ATOM 1739 CA HIS A 144 -12.186 6.465 10.633 1.00 0.51 C ATOM 1740 C HIS A 144 -10.712 6.164 10.934 1.00 0.49 C ATOM 1741 O HIS A 144 -10.395 5.074 11.422 1.00 0.55 O ATOM 1742 CB HIS A 144 -13.084 6.132 11.821 1.00 0.62 C ATOM 1743 CG HIS A 144 -12.976 7.082 12.982 1.00 0.77 C ATOM 1744 ND1 HIS A 144 -13.763 8.186 13.193 1.00 1.04 N ATOM 1745 CD2 HIS A 144 -12.145 6.964 14.060 1.00 0.90 C ATOM 1746 CE1 HIS A 144 -13.430 8.719 14.381 1.00 1.19 C ATOM 1747 NE2 HIS A 144 -12.456 7.992 14.966 1.00 1.11 N ATOM 0 H HIS A 144 -13.071 4.761 9.864 1.00 0.52 H new ATOM 0 HA HIS A 144 -12.222 7.527 10.392 1.00 0.51 H new ATOM 0 HB2 HIS A 144 -14.119 6.113 11.481 1.00 0.62 H new ATOM 0 HB3 HIS A 144 -12.844 5.127 12.169 1.00 0.62 H new ATOM 0 HD2 HIS A 144 -11.382 6.211 14.193 1.00 0.90 H new ATOM 0 HE1 HIS A 144 -13.879 9.604 14.807 1.00 1.19 H new ATOM 0 HE2 HIS A 144 -12.032 8.155 15.879 1.00 1.11 H new ATOM 1755 N SER A 145 -9.817 7.121 10.680 1.00 0.47 N ATOM 1756 CA SER A 145 -8.458 7.115 11.217 1.00 0.46 C ATOM 1757 C SER A 145 -8.471 7.171 12.757 1.00 0.42 C ATOM 1758 O SER A 145 -9.117 7.998 13.374 1.00 0.52 O ATOM 1759 CB SER A 145 -7.695 8.292 10.581 1.00 0.52 C ATOM 1760 OG SER A 145 -6.641 8.737 11.410 1.00 0.52 O ATOM 0 H SER A 145 -10.019 7.928 10.090 1.00 0.47 H new ATOM 0 HA SER A 145 -7.947 6.186 10.964 1.00 0.46 H new ATOM 0 HB2 SER A 145 -7.294 7.987 9.614 1.00 0.52 H new ATOM 0 HB3 SER A 145 -8.385 9.115 10.395 1.00 0.52 H new ATOM 0 HG SER A 145 -5.789 8.397 11.066 1.00 0.52 H new ATOM 1766 N ALA A 146 -7.699 6.322 13.414 1.00 0.37 N ATOM 1767 CA ALA A 146 -7.523 6.281 14.868 1.00 0.41 C ATOM 1768 C ALA A 146 -6.792 7.519 15.433 1.00 0.50 C ATOM 1769 O ALA A 146 -6.735 7.711 16.654 1.00 0.69 O ATOM 1770 CB ALA A 146 -6.814 4.972 15.231 1.00 0.44 C ATOM 0 H ALA A 146 -7.151 5.608 12.933 1.00 0.37 H new ATOM 0 HA ALA A 146 -8.506 6.311 15.338 1.00 0.41 H new ATOM 0 HB1 ALA A 146 -6.673 4.922 16.311 1.00 0.44 H new ATOM 0 HB2 ALA A 146 -7.420 4.127 14.904 1.00 0.44 H new ATOM 0 HB3 ALA A 146 -5.843 4.935 14.736 1.00 0.44 H new ATOM 1776 N LEU A 147 -6.247 8.380 14.560 1.00 0.53 N ATOM 1777 CA LEU A 147 -5.656 9.656 14.888 1.00 0.67 C ATOM 1778 C LEU A 147 -6.685 10.800 14.972 1.00 0.74 C ATOM 1779 O LEU A 147 -6.329 11.927 15.316 1.00 0.98 O ATOM 1780 CB LEU A 147 -4.564 9.929 13.850 1.00 0.69 C ATOM 1781 CG LEU A 147 -3.468 8.866 13.681 1.00 0.63 C ATOM 1782 CD1 LEU A 147 -2.283 9.454 12.920 1.00 0.71 C ATOM 1783 CD2 LEU A 147 -2.965 8.339 15.017 1.00 0.72 C ATOM 0 H LEU A 147 -6.212 8.181 13.560 1.00 0.53 H new ATOM 0 HA LEU A 147 -5.228 9.612 15.889 1.00 0.67 H new ATOM 0 HB2 LEU A 147 -5.046 10.072 12.883 1.00 0.69 H new ATOM 0 HB3 LEU A 147 -4.082 10.872 14.108 1.00 0.69 H new ATOM 0 HG LEU A 147 -3.913 8.039 13.128 1.00 0.63 H new ATOM 0 HD11 LEU A 147 -1.511 8.693 12.805 1.00 0.71 H new ATOM 0 HD12 LEU A 147 -2.612 9.789 11.936 1.00 0.71 H new ATOM 0 HD13 LEU A 147 -1.878 10.301 13.475 1.00 0.71 H new ATOM 0 HD21 LEU A 147 -2.192 7.590 14.845 1.00 0.72 H new ATOM 0 HD22 LEU A 147 -2.551 9.162 15.600 1.00 0.72 H new ATOM 0 HD23 LEU A 147 -3.792 7.887 15.565 1.00 0.72 H new ATOM 1795 N LEU A 148 -7.964 10.529 14.691 1.00 0.62 N ATOM 1796 CA LEU A 148 -9.062 11.495 14.764 1.00 0.71 C ATOM 1797 C LEU A 148 -9.277 12.082 16.180 1.00 0.88 C ATOM 1798 O LEU A 148 -9.780 13.199 16.315 1.00 1.19 O ATOM 1799 CB LEU A 148 -10.353 10.847 14.220 1.00 0.71 C ATOM 1800 CG LEU A 148 -10.661 11.298 12.772 1.00 0.99 C ATOM 1801 CD1 LEU A 148 -10.172 10.281 11.791 1.00 2.05 C ATOM 1802 CD2 LEU A 148 -12.129 11.632 12.527 1.00 2.37 C ATOM 0 H LEU A 148 -8.272 9.602 14.397 1.00 0.62 H new ATOM 0 HA LEU A 148 -8.788 12.346 14.141 1.00 0.71 H new ATOM 0 HB2 LEU A 148 -10.254 9.762 14.249 1.00 0.71 H new ATOM 0 HB3 LEU A 148 -11.190 11.108 14.867 1.00 0.71 H new ATOM 0 HG LEU A 148 -10.119 12.232 12.624 1.00 0.99 H new ATOM 0 HD11 LEU A 148 -10.397 10.615 10.778 1.00 2.05 H new ATOM 0 HD12 LEU A 148 -9.095 10.158 11.901 1.00 2.05 H new ATOM 0 HD13 LEU A 148 -10.667 9.328 11.977 1.00 2.05 H new ATOM 0 HD21 LEU A 148 -12.264 11.939 11.490 1.00 2.37 H new ATOM 0 HD22 LEU A 148 -12.741 10.752 12.727 1.00 2.37 H new ATOM 0 HD23 LEU A 148 -12.433 12.443 13.188 1.00 2.37 H new ATOM 1814 N ASP A 149 -8.869 11.357 17.228 1.00 1.00 N ATOM 1815 CA ASP A 149 -9.083 11.687 18.649 1.00 1.47 C ATOM 1816 C ASP A 149 -7.775 11.916 19.437 1.00 1.65 C ATOM 1817 O ASP A 149 -7.665 11.622 20.631 1.00 1.97 O ATOM 1818 CB ASP A 149 -9.985 10.613 19.261 1.00 1.82 C ATOM 1819 CG ASP A 149 -10.531 10.983 20.644 1.00 2.49 C ATOM 1820 OD1 ASP A 149 -10.867 12.171 20.875 1.00 2.99 O ATOM 1821 OD2 ASP A 149 -10.646 10.081 21.509 1.00 3.21 O ATOM 0 H ASP A 149 -8.357 10.483 17.107 1.00 1.00 H new ATOM 0 HA ASP A 149 -9.584 12.653 18.715 1.00 1.47 H new ATOM 0 HB2 ASP A 149 -10.822 10.427 18.588 1.00 1.82 H new ATOM 0 HB3 ASP A 149 -9.425 9.681 19.339 1.00 1.82 H new ATOM 1826 N GLU A 150 -6.752 12.414 18.748 1.00 1.62 N ATOM 1827 CA GLU A 150 -5.422 12.742 19.290 1.00 2.04 C ATOM 1828 C GLU A 150 -5.381 13.956 20.226 1.00 2.24 C ATOM 1829 O GLU A 150 -4.833 13.781 21.339 1.00 2.98 O ATOM 1830 CB GLU A 150 -4.453 12.906 18.115 1.00 2.61 C ATOM 1831 CG GLU A 150 -4.039 11.553 17.523 1.00 2.90 C ATOM 1832 CD GLU A 150 -3.077 10.783 18.434 1.00 3.00 C ATOM 1833 OE1 GLU A 150 -1.945 11.279 18.674 1.00 3.74 O ATOM 1834 OE2 GLU A 150 -3.436 9.685 18.922 1.00 3.70 O ATOM 0 H GLU A 150 -6.823 12.612 17.750 1.00 1.62 H new ATOM 0 HA GLU A 150 -5.124 11.914 19.933 1.00 2.04 H new ATOM 0 HB2 GLU A 150 -4.921 13.513 17.340 1.00 2.61 H new ATOM 0 HB3 GLU A 150 -3.565 13.443 18.449 1.00 2.61 H new ATOM 0 HG2 GLU A 150 -4.929 10.949 17.347 1.00 2.90 H new ATOM 0 HG3 GLU A 150 -3.566 11.713 16.554 1.00 2.90 H new