USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 858 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 107 HIS : no HD1:sc= -4.5! C(o=-10!,f=-19!) USER MOD Set 1.2: A 111 ASN : amide:sc= -5.98! C(o=-10!,f=-7.8!) USER MOD Set 2.1: A 41 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Set 2.2: A 72 MET CE :methyl -162:sc= 0 (180deg=-0.331) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-4.3e-05) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 82:sc= 0.732 USER MOD Single : A 21 LYS NZ :NH3+ 148:sc= -0.233 (180deg=-1.4!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -170:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0432 USER MOD Single : A 30 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00768) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 161:sc= 0 (180deg=-0.641) USER MOD Single : A 38 SER OG : rot -75:sc= 0.839 USER MOD Single : A 42 ASN : amide:sc= -2.46! K(o=-2.5!,f=-0.3) USER MOD Single : A 44 THR OG1 : rot -82:sc= 0.212 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -130:sc=-0.00489 (180deg=-2.56!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 174:sc= -1.07 (180deg=-1.18) USER MOD Single : A 110 THR OG1 : rot -54:sc= -0.782! USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -165:sc=-0.00688 (180deg=-0.218) USER MOD Single : A 135 GLN : amide:sc= -0.0828 K(o=-0.083,f=-0.94) USER MOD Single : A 137 ASN : amide:sc= -1.48 K(o=-1.5,f=-3!) USER MOD Single : A 138 TYR OH : rot -15:sc= 0.403 USER MOD Single : A 143 GLN : amide:sc= -0.166 K(o=-0.17,f=-1.9!) USER MOD Single : A 144 MET CE :methyl -162:sc= 0 (180deg=-0.0756) USER MOD Single : A 145 MET CE :methyl -140:sc= -0.112 (180deg=-2.55!) USER MOD Single : A 146 THR OG1 : rot 90:sc= -0.202 USER MOD ----------------------------------------------------------------- ATOM 105 N GLN A 8 13.835 2.213 -3.252 1.00 0.20 N ATOM 106 CA GLN A 8 12.523 2.565 -2.647 1.00 0.19 C ATOM 107 C GLN A 8 11.450 1.610 -3.174 1.00 0.23 C ATOM 108 O GLN A 8 10.556 1.213 -2.453 1.00 0.23 O ATOM 109 CB GLN A 8 12.156 4.007 -3.006 1.00 0.20 C ATOM 110 CG GLN A 8 13.084 4.971 -2.263 1.00 0.09 C ATOM 111 CD GLN A 8 12.610 6.406 -2.487 1.00 0.46 C ATOM 112 OE1 GLN A 8 12.469 6.844 -3.611 1.00 0.48 O ATOM 113 NE2 GLN A 8 12.354 7.165 -1.456 1.00 0.99 N ATOM 0 HA GLN A 8 12.588 2.476 -1.563 1.00 0.19 H new ATOM 0 HB2 GLN A 8 12.243 4.158 -4.082 1.00 0.20 H new ATOM 0 HB3 GLN A 8 11.118 4.206 -2.739 1.00 0.20 H new ATOM 0 HG2 GLN A 8 13.089 4.740 -1.198 1.00 0.09 H new ATOM 0 HG3 GLN A 8 14.108 4.855 -2.619 1.00 0.09 H new ATOM 0 HE21 GLN A 8 12.472 6.799 -0.511 1.00 0.99 H new ATOM 0 HE22 GLN A 8 12.036 8.124 -1.595 1.00 0.99 H new ATOM 122 N ILE A 9 11.532 1.228 -4.422 1.00 0.27 N ATOM 123 CA ILE A 9 10.516 0.290 -4.972 1.00 0.31 C ATOM 124 C ILE A 9 10.685 -1.074 -4.302 1.00 0.33 C ATOM 125 O ILE A 9 9.729 -1.787 -4.070 1.00 0.36 O ATOM 126 CB ILE A 9 10.715 0.138 -6.482 1.00 0.31 C ATOM 127 CG1 ILE A 9 10.433 1.481 -7.165 1.00 0.28 C ATOM 128 CG2 ILE A 9 9.751 -0.926 -7.020 1.00 0.38 C ATOM 129 CD1 ILE A 9 10.809 1.398 -8.646 1.00 0.28 C ATOM 0 H ILE A 9 12.254 1.524 -5.078 1.00 0.27 H new ATOM 0 HA ILE A 9 9.517 0.681 -4.779 1.00 0.31 H new ATOM 0 HB ILE A 9 11.740 -0.168 -6.689 1.00 0.31 H new ATOM 0 HG12 ILE A 9 9.379 1.738 -7.062 1.00 0.28 H new ATOM 0 HG13 ILE A 9 11.003 2.273 -6.679 1.00 0.28 H new ATOM 0 HG21 ILE A 9 9.892 -1.035 -8.095 1.00 0.38 H new ATOM 0 HG22 ILE A 9 9.950 -1.879 -6.530 1.00 0.38 H new ATOM 0 HG23 ILE A 9 8.724 -0.622 -6.818 1.00 0.38 H new ATOM 0 HD11 ILE A 9 10.607 2.355 -9.127 1.00 0.28 H new ATOM 0 HD12 ILE A 9 11.869 1.162 -8.740 1.00 0.28 H new ATOM 0 HD13 ILE A 9 10.220 0.618 -9.128 1.00 0.28 H new ATOM 141 N ALA A 10 11.899 -1.442 -3.992 1.00 0.32 N ATOM 142 CA ALA A 10 12.134 -2.759 -3.340 1.00 0.34 C ATOM 143 C ALA A 10 11.611 -2.714 -1.898 1.00 0.39 C ATOM 144 O ALA A 10 10.911 -3.604 -1.462 1.00 0.56 O ATOM 145 CB ALA A 10 13.640 -3.080 -3.363 1.00 0.33 C ATOM 0 H ALA A 10 12.737 -0.886 -4.163 1.00 0.32 H new ATOM 0 HA ALA A 10 11.602 -3.542 -3.880 1.00 0.34 H new ATOM 0 HB1 ALA A 10 13.814 -4.044 -2.886 1.00 0.33 H new ATOM 0 HB2 ALA A 10 13.988 -3.118 -4.395 1.00 0.33 H new ATOM 0 HB3 ALA A 10 14.185 -2.305 -2.824 1.00 0.33 H new ATOM 151 N GLU A 11 11.934 -1.689 -1.152 1.00 0.25 N ATOM 152 CA GLU A 11 11.448 -1.608 0.252 1.00 0.29 C ATOM 153 C GLU A 11 9.945 -1.892 0.291 1.00 0.28 C ATOM 154 O GLU A 11 9.462 -2.624 1.132 1.00 0.28 O ATOM 155 CB GLU A 11 11.739 -0.188 0.795 1.00 0.37 C ATOM 156 CG GLU A 11 12.511 -0.259 2.110 1.00 0.41 C ATOM 157 CD GLU A 11 11.736 -1.106 3.122 1.00 2.28 C ATOM 158 OE1 GLU A 11 10.584 -1.408 2.853 1.00 3.33 O ATOM 159 OE2 GLU A 11 12.304 -1.437 4.149 1.00 3.15 O ATOM 0 H GLU A 11 12.513 -0.907 -1.457 1.00 0.25 H new ATOM 0 HA GLU A 11 11.958 -2.347 0.871 1.00 0.29 H new ATOM 0 HB2 GLU A 11 12.314 0.377 0.061 1.00 0.37 H new ATOM 0 HB3 GLU A 11 10.802 0.348 0.947 1.00 0.37 H new ATOM 0 HG2 GLU A 11 13.497 -0.691 1.940 1.00 0.41 H new ATOM 0 HG3 GLU A 11 12.666 0.745 2.506 1.00 0.41 H new ATOM 166 N PHE A 12 9.207 -1.318 -0.610 1.00 0.29 N ATOM 167 CA PHE A 12 7.741 -1.559 -0.616 1.00 0.31 C ATOM 168 C PHE A 12 7.478 -3.002 -1.039 1.00 0.27 C ATOM 169 O PHE A 12 6.564 -3.639 -0.560 1.00 0.25 O ATOM 170 CB PHE A 12 7.064 -0.615 -1.610 1.00 0.32 C ATOM 171 CG PHE A 12 7.413 0.851 -1.363 1.00 0.40 C ATOM 172 CD1 PHE A 12 7.994 1.306 -0.152 1.00 0.31 C ATOM 173 CD2 PHE A 12 7.123 1.780 -2.374 1.00 0.75 C ATOM 174 CE1 PHE A 12 8.269 2.669 0.019 1.00 0.39 C ATOM 175 CE2 PHE A 12 7.406 3.136 -2.194 1.00 0.85 C ATOM 176 CZ PHE A 12 7.975 3.581 -1.000 1.00 0.62 C ATOM 0 H PHE A 12 9.552 -0.695 -1.340 1.00 0.29 H new ATOM 0 HA PHE A 12 7.339 -1.380 0.381 1.00 0.31 H new ATOM 0 HB2 PHE A 12 7.359 -0.889 -2.623 1.00 0.32 H new ATOM 0 HB3 PHE A 12 5.983 -0.742 -1.547 1.00 0.32 H new ATOM 0 HD1 PHE A 12 8.224 0.604 0.636 1.00 0.31 H new ATOM 0 HD2 PHE A 12 6.677 1.444 -3.299 1.00 0.75 H new ATOM 0 HE1 PHE A 12 8.710 3.017 0.941 1.00 0.39 H new ATOM 0 HE2 PHE A 12 7.184 3.842 -2.981 1.00 0.85 H new ATOM 0 HZ PHE A 12 8.189 4.631 -0.863 1.00 0.62 H new ATOM 186 N LYS A 13 8.268 -3.525 -1.935 1.00 0.27 N ATOM 187 CA LYS A 13 8.045 -4.926 -2.380 1.00 0.24 C ATOM 188 C LYS A 13 8.212 -5.871 -1.190 1.00 0.22 C ATOM 189 O LYS A 13 7.429 -6.783 -1.004 1.00 0.24 O ATOM 190 CB LYS A 13 9.046 -5.297 -3.481 1.00 0.22 C ATOM 191 CG LYS A 13 8.835 -6.769 -3.910 1.00 0.20 C ATOM 192 CD LYS A 13 9.148 -6.943 -5.408 1.00 0.18 C ATOM 193 CE LYS A 13 7.915 -6.580 -6.246 1.00 0.21 C ATOM 194 NZ LYS A 13 8.329 -6.328 -7.655 1.00 0.93 N ATOM 0 H LYS A 13 9.053 -3.045 -2.375 1.00 0.27 H new ATOM 0 HA LYS A 13 7.035 -5.017 -2.779 1.00 0.24 H new ATOM 0 HB2 LYS A 13 8.918 -4.637 -4.339 1.00 0.22 H new ATOM 0 HB3 LYS A 13 10.065 -5.157 -3.121 1.00 0.22 H new ATOM 0 HG2 LYS A 13 9.478 -7.422 -3.320 1.00 0.20 H new ATOM 0 HG3 LYS A 13 7.806 -7.069 -3.710 1.00 0.20 H new ATOM 0 HD2 LYS A 13 9.989 -6.308 -5.689 1.00 0.18 H new ATOM 0 HD3 LYS A 13 9.445 -7.972 -5.609 1.00 0.18 H new ATOM 0 HE2 LYS A 13 7.186 -7.389 -6.209 1.00 0.21 H new ATOM 0 HE3 LYS A 13 7.430 -5.695 -5.834 1.00 0.21 H new ATOM 0 HZ1 LYS A 13 7.494 -6.082 -8.224 1.00 0.93 H new ATOM 0 HZ2 LYS A 13 9.010 -5.542 -7.682 1.00 0.93 H new ATOM 0 HZ3 LYS A 13 8.773 -7.184 -8.045 1.00 0.93 H new ATOM 208 N GLU A 14 9.212 -5.668 -0.373 1.00 0.21 N ATOM 209 CA GLU A 14 9.386 -6.570 0.803 1.00 0.21 C ATOM 210 C GLU A 14 8.233 -6.333 1.770 1.00 0.17 C ATOM 211 O GLU A 14 7.625 -7.254 2.277 1.00 0.13 O ATOM 212 CB GLU A 14 10.708 -6.270 1.515 1.00 0.22 C ATOM 213 CG GLU A 14 11.842 -6.175 0.496 1.00 0.27 C ATOM 214 CD GLU A 14 11.826 -7.404 -0.417 1.00 2.00 C ATOM 215 OE1 GLU A 14 12.182 -8.471 0.053 1.00 2.12 O ATOM 216 OE2 GLU A 14 11.457 -7.256 -1.571 1.00 3.47 O ATOM 0 H GLU A 14 9.907 -4.927 -0.467 1.00 0.21 H new ATOM 0 HA GLU A 14 9.397 -7.606 0.465 1.00 0.21 H new ATOM 0 HB2 GLU A 14 10.628 -5.335 2.070 1.00 0.22 H new ATOM 0 HB3 GLU A 14 10.925 -7.054 2.241 1.00 0.22 H new ATOM 0 HG2 GLU A 14 11.733 -5.268 -0.099 1.00 0.27 H new ATOM 0 HG3 GLU A 14 12.800 -6.106 1.011 1.00 0.27 H new ATOM 223 N ALA A 15 7.932 -5.093 2.023 1.00 0.19 N ATOM 224 CA ALA A 15 6.818 -4.767 2.958 1.00 0.16 C ATOM 225 C ALA A 15 5.492 -5.249 2.370 1.00 0.15 C ATOM 226 O ALA A 15 4.550 -5.530 3.084 1.00 0.17 O ATOM 227 CB ALA A 15 6.760 -3.253 3.178 1.00 0.14 C ATOM 0 H ALA A 15 8.410 -4.286 1.622 1.00 0.19 H new ATOM 0 HA ALA A 15 6.991 -5.266 3.911 1.00 0.16 H new ATOM 0 HB1 ALA A 15 5.945 -3.016 3.862 1.00 0.14 H new ATOM 0 HB2 ALA A 15 7.703 -2.911 3.605 1.00 0.14 H new ATOM 0 HB3 ALA A 15 6.591 -2.753 2.224 1.00 0.14 H new ATOM 233 N PHE A 16 5.408 -5.341 1.074 1.00 0.16 N ATOM 234 CA PHE A 16 4.141 -5.800 0.440 1.00 0.16 C ATOM 235 C PHE A 16 4.033 -7.322 0.536 1.00 0.17 C ATOM 236 O PHE A 16 3.020 -7.861 0.938 1.00 0.15 O ATOM 237 CB PHE A 16 4.135 -5.374 -1.028 1.00 0.19 C ATOM 238 CG PHE A 16 2.763 -5.581 -1.612 1.00 0.19 C ATOM 239 CD1 PHE A 16 2.429 -6.805 -2.204 1.00 0.21 C ATOM 240 CD2 PHE A 16 1.826 -4.540 -1.573 1.00 0.20 C ATOM 241 CE1 PHE A 16 1.157 -6.988 -2.756 1.00 0.23 C ATOM 242 CE2 PHE A 16 0.555 -4.724 -2.123 1.00 0.20 C ATOM 243 CZ PHE A 16 0.221 -5.946 -2.715 1.00 0.22 C ATOM 0 H PHE A 16 6.162 -5.118 0.425 1.00 0.16 H new ATOM 0 HA PHE A 16 3.292 -5.353 0.956 1.00 0.16 H new ATOM 0 HB2 PHE A 16 4.423 -4.326 -1.114 1.00 0.19 H new ATOM 0 HB3 PHE A 16 4.870 -5.953 -1.587 1.00 0.19 H new ATOM 0 HD1 PHE A 16 3.152 -7.606 -2.234 1.00 0.21 H new ATOM 0 HD2 PHE A 16 2.086 -3.596 -1.118 1.00 0.20 H new ATOM 0 HE1 PHE A 16 0.897 -7.931 -3.213 1.00 0.23 H new ATOM 0 HE2 PHE A 16 -0.169 -3.923 -2.091 1.00 0.20 H new ATOM 0 HZ PHE A 16 -0.761 -6.087 -3.142 1.00 0.22 H new ATOM 253 N SER A 17 5.067 -8.021 0.166 1.00 0.27 N ATOM 254 CA SER A 17 5.027 -9.508 0.229 1.00 0.27 C ATOM 255 C SER A 17 4.963 -9.969 1.688 1.00 0.16 C ATOM 256 O SER A 17 4.535 -11.068 1.980 1.00 0.11 O ATOM 257 CB SER A 17 6.281 -10.078 -0.437 1.00 0.41 C ATOM 258 OG SER A 17 6.495 -9.417 -1.676 1.00 1.71 O ATOM 0 H SER A 17 5.942 -7.626 -0.179 1.00 0.27 H new ATOM 0 HA SER A 17 4.141 -9.866 -0.294 1.00 0.27 H new ATOM 0 HB2 SER A 17 7.145 -9.945 0.214 1.00 0.41 H new ATOM 0 HB3 SER A 17 6.166 -11.150 -0.598 1.00 0.41 H new ATOM 0 HG SER A 17 6.948 -8.563 -1.517 1.00 1.71 H new ATOM 264 N LEU A 18 5.389 -9.146 2.610 1.00 0.19 N ATOM 265 CA LEU A 18 5.349 -9.559 4.041 1.00 0.18 C ATOM 266 C LEU A 18 3.903 -9.888 4.439 1.00 0.11 C ATOM 267 O LEU A 18 3.667 -10.544 5.434 1.00 0.19 O ATOM 268 CB LEU A 18 5.895 -8.412 4.929 1.00 0.28 C ATOM 269 CG LEU A 18 7.403 -8.603 5.211 1.00 0.33 C ATOM 270 CD1 LEU A 18 7.951 -7.371 5.963 1.00 0.44 C ATOM 271 CD2 LEU A 18 7.634 -9.883 6.057 1.00 0.27 C ATOM 0 H LEU A 18 5.760 -8.212 2.435 1.00 0.19 H new ATOM 0 HA LEU A 18 5.969 -10.444 4.182 1.00 0.18 H new ATOM 0 HB2 LEU A 18 5.732 -7.455 4.434 1.00 0.28 H new ATOM 0 HB3 LEU A 18 5.346 -8.382 5.870 1.00 0.28 H new ATOM 0 HG LEU A 18 7.929 -8.711 4.263 1.00 0.33 H new ATOM 0 HD11 LEU A 18 9.014 -7.508 6.160 1.00 0.44 H new ATOM 0 HD12 LEU A 18 7.808 -6.479 5.353 1.00 0.44 H new ATOM 0 HD13 LEU A 18 7.419 -7.255 6.907 1.00 0.44 H new ATOM 0 HD21 LEU A 18 8.700 -10.005 6.248 1.00 0.27 H new ATOM 0 HD22 LEU A 18 7.103 -9.793 7.005 1.00 0.27 H new ATOM 0 HD23 LEU A 18 7.261 -10.751 5.513 1.00 0.27 H new ATOM 283 N PHE A 19 2.939 -9.426 3.680 1.00 0.04 N ATOM 284 CA PHE A 19 1.501 -9.698 4.017 1.00 0.11 C ATOM 285 C PHE A 19 0.805 -10.391 2.844 1.00 0.17 C ATOM 286 O PHE A 19 -0.405 -10.379 2.736 1.00 0.25 O ATOM 287 CB PHE A 19 0.808 -8.374 4.323 1.00 0.12 C ATOM 288 CG PHE A 19 1.494 -7.746 5.506 1.00 0.13 C ATOM 289 CD1 PHE A 19 2.686 -7.036 5.324 1.00 0.12 C ATOM 290 CD2 PHE A 19 0.952 -7.890 6.786 1.00 0.18 C ATOM 291 CE1 PHE A 19 3.336 -6.468 6.422 1.00 0.17 C ATOM 292 CE2 PHE A 19 1.600 -7.317 7.886 1.00 0.21 C ATOM 293 CZ PHE A 19 2.792 -6.608 7.706 1.00 0.20 C ATOM 0 H PHE A 19 3.084 -8.870 2.838 1.00 0.04 H new ATOM 0 HA PHE A 19 1.448 -10.353 4.886 1.00 0.11 H new ATOM 0 HB2 PHE A 19 0.857 -7.711 3.459 1.00 0.12 H new ATOM 0 HB3 PHE A 19 -0.248 -8.539 4.539 1.00 0.12 H new ATOM 0 HD1 PHE A 19 3.104 -6.927 4.334 1.00 0.12 H new ATOM 0 HD2 PHE A 19 0.035 -8.443 6.926 1.00 0.18 H new ATOM 0 HE1 PHE A 19 4.257 -5.921 6.282 1.00 0.17 H new ATOM 0 HE2 PHE A 19 1.179 -7.422 8.875 1.00 0.21 H new ATOM 0 HZ PHE A 19 3.293 -6.169 8.556 1.00 0.20 H new ATOM 303 N ASP A 20 1.559 -11.009 1.972 1.00 0.16 N ATOM 304 CA ASP A 20 0.949 -11.726 0.811 1.00 0.26 C ATOM 305 C ASP A 20 0.895 -13.224 1.132 1.00 0.28 C ATOM 306 O ASP A 20 1.611 -14.019 0.555 1.00 0.28 O ATOM 307 CB ASP A 20 1.813 -11.507 -0.433 1.00 0.28 C ATOM 308 CG ASP A 20 1.259 -12.340 -1.588 1.00 0.40 C ATOM 309 OD1 ASP A 20 0.170 -12.034 -2.046 1.00 1.21 O ATOM 310 OD2 ASP A 20 1.932 -13.273 -1.997 1.00 1.07 O ATOM 0 H ASP A 20 2.577 -11.048 2.014 1.00 0.16 H new ATOM 0 HA ASP A 20 -0.056 -11.346 0.625 1.00 0.26 H new ATOM 0 HB2 ASP A 20 1.821 -10.451 -0.703 1.00 0.28 H new ATOM 0 HB3 ASP A 20 2.845 -11.791 -0.227 1.00 0.28 H new ATOM 315 N LYS A 21 0.070 -13.609 2.067 1.00 0.33 N ATOM 316 CA LYS A 21 -0.016 -15.051 2.454 1.00 0.36 C ATOM 317 C LYS A 21 -0.737 -15.865 1.383 1.00 0.42 C ATOM 318 O LYS A 21 -0.910 -17.061 1.509 1.00 0.46 O ATOM 319 CB LYS A 21 -0.786 -15.168 3.766 1.00 0.40 C ATOM 320 CG LYS A 21 -0.019 -14.460 4.893 1.00 0.42 C ATOM 321 CD LYS A 21 1.210 -15.287 5.312 1.00 0.33 C ATOM 322 CE LYS A 21 1.661 -14.865 6.712 1.00 0.51 C ATOM 323 NZ LYS A 21 0.552 -15.093 7.682 1.00 1.40 N ATOM 0 H LYS A 21 -0.552 -12.986 2.583 1.00 0.33 H new ATOM 0 HA LYS A 21 0.996 -15.441 2.565 1.00 0.36 H new ATOM 0 HB2 LYS A 21 -1.776 -14.726 3.656 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.932 -16.218 4.019 1.00 0.40 H new ATOM 0 HG2 LYS A 21 0.297 -13.471 4.560 1.00 0.42 H new ATOM 0 HG3 LYS A 21 -0.675 -14.313 5.751 1.00 0.42 H new ATOM 0 HD2 LYS A 21 0.966 -16.349 5.303 1.00 0.33 H new ATOM 0 HD3 LYS A 21 2.020 -15.140 4.598 1.00 0.33 H new ATOM 0 HE2 LYS A 21 2.541 -15.435 7.009 1.00 0.51 H new ATOM 0 HE3 LYS A 21 1.948 -13.813 6.712 1.00 0.51 H new ATOM 0 HZ1 LYS A 21 0.949 -15.339 8.611 1.00 1.40 H new ATOM 0 HZ2 LYS A 21 -0.018 -14.228 7.767 1.00 1.40 H new ATOM 0 HZ3 LYS A 21 -0.049 -15.872 7.345 1.00 1.40 H new ATOM 337 N ASP A 22 -1.161 -15.228 0.337 1.00 0.43 N ATOM 338 CA ASP A 22 -1.884 -15.953 -0.757 1.00 0.50 C ATOM 339 C ASP A 22 -0.921 -16.245 -1.911 1.00 0.49 C ATOM 340 O ASP A 22 -1.307 -16.773 -2.935 1.00 0.53 O ATOM 341 CB ASP A 22 -3.035 -15.082 -1.266 1.00 0.54 C ATOM 342 CG ASP A 22 -4.009 -14.805 -0.119 1.00 0.58 C ATOM 343 OD1 ASP A 22 -4.147 -15.664 0.735 1.00 1.77 O ATOM 344 OD2 ASP A 22 -4.601 -13.738 -0.115 1.00 1.09 O ATOM 0 H ASP A 22 -1.041 -14.227 0.183 1.00 0.43 H new ATOM 0 HA ASP A 22 -2.276 -16.893 -0.369 1.00 0.50 H new ATOM 0 HB2 ASP A 22 -2.647 -14.144 -1.663 1.00 0.54 H new ATOM 0 HB3 ASP A 22 -3.552 -15.585 -2.083 1.00 0.54 H new ATOM 349 N GLY A 23 0.333 -15.906 -1.759 1.00 0.43 N ATOM 350 CA GLY A 23 1.313 -16.170 -2.850 1.00 0.43 C ATOM 351 C GLY A 23 0.743 -15.652 -4.168 1.00 0.47 C ATOM 352 O GLY A 23 1.162 -16.046 -5.238 1.00 0.51 O ATOM 0 H GLY A 23 0.719 -15.459 -0.927 1.00 0.43 H new ATOM 0 HA2 GLY A 23 2.261 -15.679 -2.631 1.00 0.43 H new ATOM 0 HA3 GLY A 23 1.517 -17.238 -2.922 1.00 0.43 H new ATOM 356 N ASP A 24 -0.217 -14.768 -4.094 1.00 0.48 N ATOM 357 CA ASP A 24 -0.837 -14.211 -5.337 1.00 0.52 C ATOM 358 C ASP A 24 -0.242 -12.833 -5.632 1.00 0.48 C ATOM 359 O ASP A 24 -0.599 -12.191 -6.600 1.00 0.51 O ATOM 360 CB ASP A 24 -2.347 -14.079 -5.129 1.00 0.56 C ATOM 361 CG ASP A 24 -3.019 -13.767 -6.468 1.00 0.60 C ATOM 362 OD1 ASP A 24 -2.312 -13.689 -7.460 1.00 0.61 O ATOM 363 OD2 ASP A 24 -4.230 -13.616 -6.479 1.00 1.57 O ATOM 0 H ASP A 24 -0.602 -14.405 -3.222 1.00 0.48 H new ATOM 0 HA ASP A 24 -0.638 -14.878 -6.176 1.00 0.52 H new ATOM 0 HB2 ASP A 24 -2.750 -15.003 -4.714 1.00 0.56 H new ATOM 0 HB3 ASP A 24 -2.558 -13.287 -4.410 1.00 0.56 H new ATOM 368 N GLY A 25 0.663 -12.372 -4.812 1.00 0.42 N ATOM 369 CA GLY A 25 1.274 -11.036 -5.059 1.00 0.39 C ATOM 370 C GLY A 25 0.248 -9.935 -4.751 1.00 0.35 C ATOM 371 O GLY A 25 0.296 -8.864 -5.323 1.00 0.34 O ATOM 0 H GLY A 25 1.004 -12.861 -3.985 1.00 0.42 H new ATOM 0 HA2 GLY A 25 2.158 -10.908 -4.434 1.00 0.39 H new ATOM 0 HA3 GLY A 25 1.603 -10.961 -6.096 1.00 0.39 H new ATOM 375 N THR A 26 -0.683 -10.183 -3.854 1.00 0.34 N ATOM 376 CA THR A 26 -1.707 -9.145 -3.515 1.00 0.30 C ATOM 377 C THR A 26 -1.964 -9.150 -2.006 1.00 0.28 C ATOM 378 O THR A 26 -1.581 -10.064 -1.302 1.00 0.30 O ATOM 379 CB THR A 26 -3.018 -9.449 -4.244 1.00 0.33 C ATOM 380 OG1 THR A 26 -3.540 -10.687 -3.782 1.00 0.33 O ATOM 381 CG2 THR A 26 -2.767 -9.529 -5.751 1.00 0.34 C ATOM 0 H THR A 26 -0.775 -11.061 -3.344 1.00 0.34 H new ATOM 0 HA THR A 26 -1.335 -8.168 -3.824 1.00 0.30 H new ATOM 0 HB THR A 26 -3.735 -8.653 -4.042 1.00 0.33 H new ATOM 0 HG1 THR A 26 -4.380 -10.882 -4.247 1.00 0.33 H new ATOM 0 HG21 THR A 26 -3.704 -9.746 -6.265 1.00 0.34 H new ATOM 0 HG22 THR A 26 -2.371 -8.577 -6.105 1.00 0.34 H new ATOM 0 HG23 THR A 26 -2.048 -10.321 -5.958 1.00 0.34 H new ATOM 389 N ILE A 27 -2.623 -8.136 -1.504 1.00 0.24 N ATOM 390 CA ILE A 27 -2.929 -8.069 -0.043 1.00 0.22 C ATOM 391 C ILE A 27 -4.345 -7.520 0.130 1.00 0.22 C ATOM 392 O ILE A 27 -4.918 -6.967 -0.788 1.00 0.21 O ATOM 393 CB ILE A 27 -1.926 -7.142 0.657 1.00 0.18 C ATOM 394 CG1 ILE A 27 -1.993 -5.738 0.034 1.00 0.15 C ATOM 395 CG2 ILE A 27 -0.510 -7.710 0.501 1.00 0.20 C ATOM 396 CD1 ILE A 27 -1.024 -4.803 0.761 1.00 0.11 C ATOM 0 H ILE A 27 -2.965 -7.345 -2.049 1.00 0.24 H new ATOM 0 HA ILE A 27 -2.855 -9.063 0.399 1.00 0.22 H new ATOM 0 HB ILE A 27 -2.175 -7.075 1.716 1.00 0.18 H new ATOM 0 HG12 ILE A 27 -1.740 -5.787 -1.025 1.00 0.15 H new ATOM 0 HG13 ILE A 27 -3.009 -5.348 0.101 1.00 0.15 H new ATOM 0 HG21 ILE A 27 0.203 -7.052 0.998 1.00 0.20 H new ATOM 0 HG22 ILE A 27 -0.464 -8.701 0.952 1.00 0.20 H new ATOM 0 HG23 ILE A 27 -0.261 -7.781 -0.558 1.00 0.20 H new ATOM 0 HD11 ILE A 27 -1.075 -3.809 0.316 1.00 0.11 H new ATOM 0 HD12 ILE A 27 -1.297 -4.743 1.815 1.00 0.11 H new ATOM 0 HD13 ILE A 27 -0.009 -5.189 0.671 1.00 0.11 H new ATOM 408 N THR A 28 -4.922 -7.659 1.294 1.00 0.22 N ATOM 409 CA THR A 28 -6.302 -7.136 1.502 1.00 0.23 C ATOM 410 C THR A 28 -6.244 -5.689 1.976 1.00 0.18 C ATOM 411 O THR A 28 -5.215 -5.199 2.396 1.00 0.15 O ATOM 412 CB THR A 28 -7.016 -7.959 2.566 1.00 0.27 C ATOM 413 OG1 THR A 28 -6.689 -7.451 3.853 1.00 0.25 O ATOM 414 CG2 THR A 28 -6.582 -9.420 2.469 1.00 0.30 C ATOM 0 H THR A 28 -4.499 -8.110 2.105 1.00 0.22 H new ATOM 0 HA THR A 28 -6.840 -7.199 0.556 1.00 0.23 H new ATOM 0 HB THR A 28 -8.093 -7.894 2.409 1.00 0.27 H new ATOM 0 HG1 THR A 28 -7.015 -8.068 4.541 1.00 0.25 H new ATOM 0 HG21 THR A 28 -7.096 -10.004 3.233 1.00 0.30 H new ATOM 0 HG22 THR A 28 -6.835 -9.810 1.483 1.00 0.30 H new ATOM 0 HG23 THR A 28 -5.505 -9.491 2.622 1.00 0.30 H new ATOM 422 N THR A 29 -7.352 -5.012 1.932 1.00 0.17 N ATOM 423 CA THR A 29 -7.385 -3.606 2.400 1.00 0.15 C ATOM 424 C THR A 29 -7.186 -3.579 3.917 1.00 0.17 C ATOM 425 O THR A 29 -6.666 -2.631 4.470 1.00 0.17 O ATOM 426 CB THR A 29 -8.749 -3.005 2.057 1.00 0.16 C ATOM 427 OG1 THR A 29 -9.766 -3.949 2.355 1.00 0.23 O ATOM 428 CG2 THR A 29 -8.807 -2.652 0.569 1.00 0.12 C ATOM 0 H THR A 29 -8.241 -5.375 1.590 1.00 0.17 H new ATOM 0 HA THR A 29 -6.595 -3.031 1.918 1.00 0.15 H new ATOM 0 HB THR A 29 -8.899 -2.100 2.646 1.00 0.16 H new ATOM 0 HG1 THR A 29 -10.642 -3.566 2.138 1.00 0.23 H new ATOM 0 HG21 THR A 29 -9.782 -2.225 0.334 1.00 0.12 H new ATOM 0 HG22 THR A 29 -8.027 -1.927 0.336 1.00 0.12 H new ATOM 0 HG23 THR A 29 -8.653 -3.553 -0.025 1.00 0.12 H new ATOM 436 N LYS A 30 -7.612 -4.611 4.591 1.00 0.21 N ATOM 437 CA LYS A 30 -7.467 -4.651 6.073 1.00 0.24 C ATOM 438 C LYS A 30 -5.987 -4.630 6.456 1.00 0.21 C ATOM 439 O LYS A 30 -5.625 -4.196 7.532 1.00 0.23 O ATOM 440 CB LYS A 30 -8.114 -5.927 6.615 1.00 0.28 C ATOM 441 CG LYS A 30 -9.610 -5.924 6.289 1.00 0.24 C ATOM 442 CD LYS A 30 -10.265 -7.169 6.889 1.00 0.21 C ATOM 443 CE LYS A 30 -11.737 -7.229 6.469 1.00 0.62 C ATOM 444 NZ LYS A 30 -12.524 -6.256 7.277 1.00 1.43 N ATOM 0 H LYS A 30 -8.056 -5.431 4.178 1.00 0.21 H new ATOM 0 HA LYS A 30 -7.959 -3.778 6.502 1.00 0.24 H new ATOM 0 HB2 LYS A 30 -7.638 -6.803 6.175 1.00 0.28 H new ATOM 0 HB3 LYS A 30 -7.967 -5.992 7.693 1.00 0.28 H new ATOM 0 HG2 LYS A 30 -10.078 -5.025 6.689 1.00 0.24 H new ATOM 0 HG3 LYS A 30 -9.758 -5.907 5.209 1.00 0.24 H new ATOM 0 HD2 LYS A 30 -9.743 -8.065 6.552 1.00 0.21 H new ATOM 0 HD3 LYS A 30 -10.187 -7.145 7.976 1.00 0.21 H new ATOM 0 HE2 LYS A 30 -11.833 -6.999 5.408 1.00 0.62 H new ATOM 0 HE3 LYS A 30 -12.127 -8.237 6.613 1.00 0.62 H new ATOM 0 HZ1 LYS A 30 -13.529 -6.320 7.016 1.00 1.43 H new ATOM 0 HZ2 LYS A 30 -12.414 -6.475 8.288 1.00 1.43 H new ATOM 0 HZ3 LYS A 30 -12.179 -5.292 7.092 1.00 1.43 H new ATOM 458 N GLU A 31 -5.128 -5.095 5.589 1.00 0.18 N ATOM 459 CA GLU A 31 -3.662 -5.105 5.909 1.00 0.15 C ATOM 460 C GLU A 31 -2.973 -3.918 5.234 1.00 0.11 C ATOM 461 O GLU A 31 -1.763 -3.850 5.175 1.00 0.06 O ATOM 462 CB GLU A 31 -3.028 -6.399 5.388 1.00 0.15 C ATOM 463 CG GLU A 31 -3.753 -7.612 5.978 1.00 0.21 C ATOM 464 CD GLU A 31 -3.391 -8.864 5.176 1.00 0.21 C ATOM 465 OE1 GLU A 31 -3.384 -8.784 3.960 1.00 0.24 O ATOM 466 OE2 GLU A 31 -3.129 -9.882 5.795 1.00 0.25 O ATOM 0 H GLU A 31 -5.373 -5.469 4.672 1.00 0.18 H new ATOM 0 HA GLU A 31 -3.539 -5.038 6.990 1.00 0.15 H new ATOM 0 HB2 GLU A 31 -3.081 -6.427 4.300 1.00 0.15 H new ATOM 0 HB3 GLU A 31 -1.972 -6.430 5.656 1.00 0.15 H new ATOM 0 HG2 GLU A 31 -3.473 -7.743 7.023 1.00 0.21 H new ATOM 0 HG3 GLU A 31 -4.831 -7.451 5.955 1.00 0.21 H new ATOM 473 N LEU A 32 -3.722 -2.986 4.719 1.00 0.15 N ATOM 474 CA LEU A 32 -3.084 -1.823 4.046 1.00 0.10 C ATOM 475 C LEU A 32 -2.354 -0.960 5.081 1.00 0.13 C ATOM 476 O LEU A 32 -1.197 -0.625 4.915 1.00 0.13 O ATOM 477 CB LEU A 32 -4.157 -0.989 3.336 1.00 0.15 C ATOM 478 CG LEU A 32 -3.552 0.314 2.796 1.00 0.13 C ATOM 479 CD1 LEU A 32 -2.301 0.012 1.961 1.00 0.10 C ATOM 480 CD2 LEU A 32 -4.591 1.023 1.925 1.00 0.14 C ATOM 0 H LEU A 32 -4.742 -2.978 4.734 1.00 0.15 H new ATOM 0 HA LEU A 32 -2.363 -2.182 3.312 1.00 0.10 H new ATOM 0 HB2 LEU A 32 -4.590 -1.563 2.517 1.00 0.15 H new ATOM 0 HB3 LEU A 32 -4.967 -0.761 4.029 1.00 0.15 H new ATOM 0 HG LEU A 32 -3.269 0.953 3.632 1.00 0.13 H new ATOM 0 HD11 LEU A 32 -1.881 0.945 1.584 1.00 0.10 H new ATOM 0 HD12 LEU A 32 -1.562 -0.493 2.583 1.00 0.10 H new ATOM 0 HD13 LEU A 32 -2.570 -0.630 1.122 1.00 0.10 H new ATOM 0 HD21 LEU A 32 -4.169 1.950 1.537 1.00 0.14 H new ATOM 0 HD22 LEU A 32 -4.871 0.376 1.094 1.00 0.14 H new ATOM 0 HD23 LEU A 32 -5.474 1.248 2.523 1.00 0.14 H new ATOM 492 N GLY A 33 -3.016 -0.591 6.145 1.00 0.21 N ATOM 493 CA GLY A 33 -2.348 0.254 7.174 1.00 0.27 C ATOM 494 C GLY A 33 -1.202 -0.529 7.813 1.00 0.26 C ATOM 495 O GLY A 33 -0.251 0.042 8.310 1.00 0.30 O ATOM 0 H GLY A 33 -3.986 -0.837 6.345 1.00 0.21 H new ATOM 0 HA2 GLY A 33 -1.968 1.168 6.718 1.00 0.27 H new ATOM 0 HA3 GLY A 33 -3.067 0.553 7.936 1.00 0.27 H new ATOM 499 N THR A 34 -1.280 -1.834 7.809 1.00 0.21 N ATOM 500 CA THR A 34 -0.190 -2.641 8.421 1.00 0.20 C ATOM 501 C THR A 34 1.058 -2.553 7.542 1.00 0.19 C ATOM 502 O THR A 34 2.163 -2.423 8.028 1.00 0.24 O ATOM 503 CB THR A 34 -0.644 -4.100 8.548 1.00 0.15 C ATOM 504 OG1 THR A 34 -2.006 -4.131 8.952 1.00 0.19 O ATOM 505 CG2 THR A 34 0.212 -4.828 9.589 1.00 0.12 C ATOM 0 H THR A 34 -2.049 -2.372 7.409 1.00 0.21 H new ATOM 0 HA THR A 34 0.043 -2.255 9.413 1.00 0.20 H new ATOM 0 HB THR A 34 -0.531 -4.597 7.585 1.00 0.15 H new ATOM 0 HG1 THR A 34 -2.302 -5.062 9.033 1.00 0.19 H new ATOM 0 HG21 THR A 34 -0.118 -5.863 9.672 1.00 0.12 H new ATOM 0 HG22 THR A 34 1.257 -4.804 9.281 1.00 0.12 H new ATOM 0 HG23 THR A 34 0.107 -4.335 10.556 1.00 0.12 H new ATOM 513 N VAL A 35 0.890 -2.608 6.253 1.00 0.14 N ATOM 514 CA VAL A 35 2.071 -2.513 5.350 1.00 0.17 C ATOM 515 C VAL A 35 2.663 -1.107 5.468 1.00 0.23 C ATOM 516 O VAL A 35 3.848 -0.932 5.679 1.00 0.27 O ATOM 517 CB VAL A 35 1.637 -2.777 3.908 1.00 0.14 C ATOM 518 CG1 VAL A 35 2.809 -2.520 2.960 1.00 0.21 C ATOM 519 CG2 VAL A 35 1.192 -4.234 3.770 1.00 0.13 C ATOM 0 H VAL A 35 -0.010 -2.714 5.785 1.00 0.14 H new ATOM 0 HA VAL A 35 2.819 -3.254 5.632 1.00 0.17 H new ATOM 0 HB VAL A 35 0.811 -2.112 3.655 1.00 0.14 H new ATOM 0 HG11 VAL A 35 2.495 -2.709 1.934 1.00 0.21 H new ATOM 0 HG12 VAL A 35 3.133 -1.484 3.055 1.00 0.21 H new ATOM 0 HG13 VAL A 35 3.635 -3.183 3.215 1.00 0.21 H new ATOM 0 HG21 VAL A 35 0.882 -4.424 2.742 1.00 0.13 H new ATOM 0 HG22 VAL A 35 2.021 -4.894 4.027 1.00 0.13 H new ATOM 0 HG23 VAL A 35 0.355 -4.424 4.442 1.00 0.13 H new ATOM 529 N MET A 36 1.839 -0.100 5.347 1.00 0.24 N ATOM 530 CA MET A 36 2.349 1.292 5.470 1.00 0.30 C ATOM 531 C MET A 36 3.028 1.444 6.833 1.00 0.33 C ATOM 532 O MET A 36 4.014 2.140 6.974 1.00 0.38 O ATOM 533 CB MET A 36 1.182 2.289 5.370 1.00 0.31 C ATOM 534 CG MET A 36 0.693 2.414 3.919 1.00 0.25 C ATOM 535 SD MET A 36 -0.154 4.005 3.714 1.00 0.90 S ATOM 536 CE MET A 36 0.422 4.368 2.036 1.00 0.33 C ATOM 0 H MET A 36 0.838 -0.183 5.169 1.00 0.24 H new ATOM 0 HA MET A 36 3.059 1.495 4.668 1.00 0.30 H new ATOM 0 HB2 MET A 36 0.361 1.960 6.008 1.00 0.31 H new ATOM 0 HB3 MET A 36 1.499 3.265 5.737 1.00 0.31 H new ATOM 0 HG2 MET A 36 1.536 2.345 3.231 1.00 0.25 H new ATOM 0 HG3 MET A 36 0.017 1.594 3.678 1.00 0.25 H new ATOM 0 HE1 MET A 36 -0.228 5.116 1.582 1.00 0.33 H new ATOM 0 HE2 MET A 36 1.442 4.749 2.076 1.00 0.33 H new ATOM 0 HE3 MET A 36 0.399 3.457 1.438 1.00 0.33 H new ATOM 546 N ARG A 37 2.509 0.791 7.840 1.00 0.32 N ATOM 547 CA ARG A 37 3.125 0.892 9.194 1.00 0.35 C ATOM 548 C ARG A 37 4.544 0.326 9.141 1.00 0.40 C ATOM 549 O ARG A 37 5.440 0.803 9.807 1.00 0.47 O ATOM 550 CB ARG A 37 2.278 0.091 10.203 1.00 0.40 C ATOM 551 CG ARG A 37 1.091 0.942 10.699 1.00 0.36 C ATOM 552 CD ARG A 37 1.530 1.837 11.871 1.00 1.38 C ATOM 553 NE ARG A 37 1.477 1.062 13.158 1.00 1.33 N ATOM 554 CZ ARG A 37 0.362 0.547 13.608 1.00 0.54 C ATOM 555 NH1 ARG A 37 -0.775 0.815 13.024 1.00 0.66 N ATOM 556 NH2 ARG A 37 0.382 -0.203 14.675 1.00 0.57 N ATOM 0 H ARG A 37 1.685 0.192 7.782 1.00 0.32 H new ATOM 0 HA ARG A 37 3.162 1.935 9.508 1.00 0.35 H new ATOM 0 HB2 ARG A 37 1.910 -0.822 9.735 1.00 0.40 H new ATOM 0 HB3 ARG A 37 2.896 -0.211 11.048 1.00 0.40 H new ATOM 0 HG2 ARG A 37 0.711 1.558 9.884 1.00 0.36 H new ATOM 0 HG3 ARG A 37 0.275 0.292 11.015 1.00 0.36 H new ATOM 0 HD2 ARG A 37 2.542 2.204 11.700 1.00 1.38 H new ATOM 0 HD3 ARG A 37 0.881 2.710 11.936 1.00 1.38 H new ATOM 0 HE ARG A 37 2.334 0.934 13.695 1.00 1.33 H new ATOM 0 HH11 ARG A 37 -0.798 1.430 12.211 1.00 0.66 H new ATOM 0 HH12 ARG A 37 -1.640 0.409 13.381 1.00 0.66 H new ATOM 0 HH21 ARG A 37 1.264 -0.385 15.154 1.00 0.57 H new ATOM 0 HH22 ARG A 37 -0.484 -0.607 15.031 1.00 0.57 H new ATOM 570 N SER A 38 4.755 -0.687 8.347 1.00 0.38 N ATOM 571 CA SER A 38 6.117 -1.278 8.246 1.00 0.44 C ATOM 572 C SER A 38 7.083 -0.221 7.712 1.00 0.45 C ATOM 573 O SER A 38 8.248 -0.197 8.060 1.00 0.51 O ATOM 574 CB SER A 38 6.088 -2.472 7.292 1.00 0.43 C ATOM 575 OG SER A 38 6.262 -2.011 5.959 1.00 0.49 O ATOM 0 H SER A 38 4.044 -1.130 7.765 1.00 0.38 H new ATOM 0 HA SER A 38 6.445 -1.612 9.230 1.00 0.44 H new ATOM 0 HB2 SER A 38 6.877 -3.178 7.551 1.00 0.43 H new ATOM 0 HB3 SER A 38 5.141 -3.004 7.385 1.00 0.43 H new ATOM 0 HG SER A 38 5.433 -1.593 5.647 1.00 0.49 H new ATOM 581 N LEU A 39 6.609 0.657 6.868 1.00 0.41 N ATOM 582 CA LEU A 39 7.502 1.712 6.311 1.00 0.43 C ATOM 583 C LEU A 39 7.651 2.849 7.328 1.00 0.43 C ATOM 584 O LEU A 39 8.367 3.805 7.101 1.00 0.45 O ATOM 585 CB LEU A 39 6.904 2.253 5.011 1.00 0.38 C ATOM 586 CG LEU A 39 6.459 1.081 4.129 1.00 0.35 C ATOM 587 CD1 LEU A 39 5.918 1.616 2.800 1.00 0.36 C ATOM 588 CD2 LEU A 39 7.653 0.153 3.857 1.00 0.36 C ATOM 0 H LEU A 39 5.643 0.688 6.541 1.00 0.41 H new ATOM 0 HA LEU A 39 8.484 1.286 6.105 1.00 0.43 H new ATOM 0 HB2 LEU A 39 6.055 2.900 5.230 1.00 0.38 H new ATOM 0 HB3 LEU A 39 7.640 2.860 4.484 1.00 0.38 H new ATOM 0 HG LEU A 39 5.677 0.522 4.643 1.00 0.35 H new ATOM 0 HD11 LEU A 39 5.602 0.782 2.174 1.00 0.36 H new ATOM 0 HD12 LEU A 39 5.067 2.270 2.990 1.00 0.36 H new ATOM 0 HD13 LEU A 39 6.700 2.178 2.289 1.00 0.36 H new ATOM 0 HD21 LEU A 39 7.332 -0.679 3.230 1.00 0.36 H new ATOM 0 HD22 LEU A 39 8.438 0.711 3.346 1.00 0.36 H new ATOM 0 HD23 LEU A 39 8.037 -0.232 4.802 1.00 0.36 H new ATOM 600 N GLY A 40 6.994 2.744 8.454 1.00 0.43 N ATOM 601 CA GLY A 40 7.112 3.811 9.497 1.00 0.44 C ATOM 602 C GLY A 40 6.040 4.888 9.293 1.00 0.36 C ATOM 603 O GLY A 40 6.097 5.942 9.895 1.00 0.27 O ATOM 0 H GLY A 40 6.381 1.966 8.698 1.00 0.43 H new ATOM 0 HA2 GLY A 40 7.008 3.370 10.489 1.00 0.44 H new ATOM 0 HA3 GLY A 40 8.103 4.263 9.451 1.00 0.44 H new ATOM 607 N GLN A 41 5.059 4.635 8.463 1.00 0.39 N ATOM 608 CA GLN A 41 3.982 5.651 8.233 1.00 0.32 C ATOM 609 C GLN A 41 2.752 5.272 9.061 1.00 0.34 C ATOM 610 O GLN A 41 2.418 4.112 9.182 1.00 0.44 O ATOM 611 CB GLN A 41 3.606 5.670 6.751 1.00 0.34 C ATOM 612 CG GLN A 41 4.752 6.283 5.945 1.00 0.42 C ATOM 613 CD GLN A 41 4.371 6.327 4.464 1.00 1.14 C ATOM 614 OE1 GLN A 41 3.943 5.338 3.904 1.00 2.11 O ATOM 615 NE2 GLN A 41 4.510 7.443 3.800 1.00 1.53 N ATOM 0 H GLN A 41 4.956 3.769 7.934 1.00 0.39 H new ATOM 0 HA GLN A 41 4.339 6.637 8.530 1.00 0.32 H new ATOM 0 HB2 GLN A 41 3.403 4.657 6.403 1.00 0.34 H new ATOM 0 HB3 GLN A 41 2.693 6.247 6.603 1.00 0.34 H new ATOM 0 HG2 GLN A 41 4.967 7.289 6.306 1.00 0.42 H new ATOM 0 HG3 GLN A 41 5.660 5.695 6.080 1.00 0.42 H new ATOM 0 HE21 GLN A 41 4.869 8.274 4.269 1.00 1.53 H new ATOM 0 HE22 GLN A 41 4.259 7.483 2.812 1.00 1.53 H new ATOM 624 N ASN A 42 2.075 6.237 9.643 1.00 0.29 N ATOM 625 CA ASN A 42 0.869 5.922 10.477 1.00 0.34 C ATOM 626 C ASN A 42 -0.289 6.873 10.128 1.00 0.28 C ATOM 627 O ASN A 42 -0.603 7.754 10.903 1.00 0.32 O ATOM 628 CB ASN A 42 1.230 6.099 11.954 1.00 0.42 C ATOM 629 CG ASN A 42 0.069 5.615 12.826 1.00 0.45 C ATOM 630 OD1 ASN A 42 0.111 5.735 14.034 1.00 1.26 O ATOM 631 ND2 ASN A 42 -0.974 5.070 12.260 1.00 1.48 N ATOM 0 H ASN A 42 2.306 7.228 9.576 1.00 0.29 H new ATOM 0 HA ASN A 42 0.557 4.897 10.279 1.00 0.34 H new ATOM 0 HB2 ASN A 42 2.134 5.536 12.188 1.00 0.42 H new ATOM 0 HB3 ASN A 42 1.444 7.147 12.164 1.00 0.42 H new ATOM 0 HD21 ASN A 42 -1.753 4.745 12.832 1.00 1.48 H new ATOM 0 HD22 ASN A 42 -1.009 4.969 11.246 1.00 1.48 H new ATOM 638 N PRO A 43 -0.903 6.670 8.980 1.00 0.25 N ATOM 639 CA PRO A 43 -2.038 7.511 8.551 1.00 0.22 C ATOM 640 C PRO A 43 -3.261 7.191 9.424 1.00 0.24 C ATOM 641 O PRO A 43 -3.404 6.089 9.914 1.00 0.28 O ATOM 642 CB PRO A 43 -2.289 7.111 7.077 1.00 0.24 C ATOM 643 CG PRO A 43 -1.396 5.870 6.774 1.00 0.31 C ATOM 644 CD PRO A 43 -0.526 5.607 8.023 1.00 0.31 C ATOM 0 HA PRO A 43 -1.843 8.579 8.647 1.00 0.22 H new ATOM 0 HB2 PRO A 43 -3.341 6.875 6.917 1.00 0.24 H new ATOM 0 HB3 PRO A 43 -2.041 7.935 6.408 1.00 0.24 H new ATOM 0 HG2 PRO A 43 -2.013 5.000 6.546 1.00 0.31 H new ATOM 0 HG3 PRO A 43 -0.769 6.053 5.902 1.00 0.31 H new ATOM 0 HD2 PRO A 43 -0.718 4.617 8.437 1.00 0.31 H new ATOM 0 HD3 PRO A 43 0.536 5.651 7.781 1.00 0.31 H new ATOM 652 N THR A 44 -4.149 8.131 9.617 1.00 0.24 N ATOM 653 CA THR A 44 -5.345 7.831 10.453 1.00 0.28 C ATOM 654 C THR A 44 -6.256 6.875 9.688 1.00 0.26 C ATOM 655 O THR A 44 -6.100 6.667 8.501 1.00 0.18 O ATOM 656 CB THR A 44 -6.113 9.115 10.771 1.00 0.31 C ATOM 657 OG1 THR A 44 -6.328 9.847 9.574 1.00 0.34 O ATOM 658 CG2 THR A 44 -5.307 9.966 11.754 1.00 0.43 C ATOM 0 H THR A 44 -4.099 9.077 9.239 1.00 0.24 H new ATOM 0 HA THR A 44 -5.020 7.377 11.389 1.00 0.28 H new ATOM 0 HB THR A 44 -7.074 8.860 11.218 1.00 0.31 H new ATOM 0 HG1 THR A 44 -5.527 10.370 9.362 1.00 0.34 H new ATOM 0 HG21 THR A 44 -5.856 10.880 11.979 1.00 0.43 H new ATOM 0 HG22 THR A 44 -5.145 9.404 12.674 1.00 0.43 H new ATOM 0 HG23 THR A 44 -4.344 10.221 11.310 1.00 0.43 H new ATOM 666 N GLU A 45 -7.204 6.290 10.357 1.00 0.41 N ATOM 667 CA GLU A 45 -8.123 5.344 9.673 1.00 0.41 C ATOM 668 C GLU A 45 -8.855 6.063 8.542 1.00 0.34 C ATOM 669 O GLU A 45 -9.064 5.512 7.479 1.00 0.29 O ATOM 670 CB GLU A 45 -9.137 4.810 10.688 1.00 0.51 C ATOM 671 CG GLU A 45 -8.467 3.763 11.582 1.00 0.62 C ATOM 672 CD GLU A 45 -9.444 3.323 12.675 1.00 0.57 C ATOM 673 OE1 GLU A 45 -10.603 3.117 12.358 1.00 0.93 O ATOM 674 OE2 GLU A 45 -9.013 3.198 13.811 1.00 1.34 O ATOM 0 H GLU A 45 -7.383 6.426 11.352 1.00 0.41 H new ATOM 0 HA GLU A 45 -7.552 4.515 9.255 1.00 0.41 H new ATOM 0 HB2 GLU A 45 -9.523 5.628 11.296 1.00 0.51 H new ATOM 0 HB3 GLU A 45 -9.988 4.369 10.169 1.00 0.51 H new ATOM 0 HG2 GLU A 45 -8.160 2.903 10.986 1.00 0.62 H new ATOM 0 HG3 GLU A 45 -7.565 4.177 12.032 1.00 0.62 H new ATOM 681 N ALA A 46 -9.250 7.289 8.752 1.00 0.36 N ATOM 682 CA ALA A 46 -9.968 8.022 7.675 1.00 0.32 C ATOM 683 C ALA A 46 -9.020 8.244 6.496 1.00 0.26 C ATOM 684 O ALA A 46 -9.399 8.097 5.352 1.00 0.24 O ATOM 685 CB ALA A 46 -10.476 9.368 8.211 1.00 0.39 C ATOM 0 H ALA A 46 -9.107 7.811 9.617 1.00 0.36 H new ATOM 0 HA ALA A 46 -10.824 7.435 7.340 1.00 0.32 H new ATOM 0 HB1 ALA A 46 -11.001 9.901 7.418 1.00 0.39 H new ATOM 0 HB2 ALA A 46 -11.157 9.194 9.044 1.00 0.39 H new ATOM 0 HB3 ALA A 46 -9.631 9.966 8.552 1.00 0.39 H new ATOM 691 N GLU A 47 -7.785 8.577 6.756 1.00 0.25 N ATOM 692 CA GLU A 47 -6.832 8.778 5.632 1.00 0.24 C ATOM 693 C GLU A 47 -6.754 7.475 4.844 1.00 0.24 C ATOM 694 O GLU A 47 -6.640 7.468 3.635 1.00 0.29 O ATOM 695 CB GLU A 47 -5.444 9.120 6.181 1.00 0.23 C ATOM 696 CG GLU A 47 -5.425 10.567 6.669 1.00 0.29 C ATOM 697 CD GLU A 47 -4.057 10.880 7.281 1.00 0.45 C ATOM 698 OE1 GLU A 47 -3.079 10.828 6.554 1.00 0.87 O ATOM 699 OE2 GLU A 47 -4.013 11.166 8.466 1.00 0.69 O ATOM 0 H GLU A 47 -7.399 8.717 7.690 1.00 0.25 H new ATOM 0 HA GLU A 47 -7.170 9.595 4.995 1.00 0.24 H new ATOM 0 HB2 GLU A 47 -5.190 8.447 7.000 1.00 0.23 H new ATOM 0 HB3 GLU A 47 -4.691 8.978 5.406 1.00 0.23 H new ATOM 0 HG2 GLU A 47 -5.628 11.245 5.840 1.00 0.29 H new ATOM 0 HG3 GLU A 47 -6.211 10.723 7.408 1.00 0.29 H new ATOM 706 N LEU A 48 -6.815 6.370 5.534 1.00 0.23 N ATOM 707 CA LEU A 48 -6.744 5.050 4.848 1.00 0.28 C ATOM 708 C LEU A 48 -8.057 4.768 4.107 1.00 0.28 C ATOM 709 O LEU A 48 -8.058 4.354 2.966 1.00 0.31 O ATOM 710 CB LEU A 48 -6.518 3.954 5.896 1.00 0.30 C ATOM 711 CG LEU A 48 -5.074 4.005 6.423 1.00 0.29 C ATOM 712 CD1 LEU A 48 -4.923 2.994 7.569 1.00 0.34 C ATOM 713 CD2 LEU A 48 -4.074 3.664 5.294 1.00 0.64 C ATOM 0 H LEU A 48 -6.911 6.325 6.548 1.00 0.23 H new ATOM 0 HA LEU A 48 -5.923 5.063 4.131 1.00 0.28 H new ATOM 0 HB2 LEU A 48 -7.218 4.082 6.722 1.00 0.30 H new ATOM 0 HB3 LEU A 48 -6.717 2.976 5.458 1.00 0.30 H new ATOM 0 HG LEU A 48 -4.860 5.011 6.783 1.00 0.29 H new ATOM 0 HD11 LEU A 48 -3.902 3.024 7.948 1.00 0.34 H new ATOM 0 HD12 LEU A 48 -5.616 3.248 8.371 1.00 0.34 H new ATOM 0 HD13 LEU A 48 -5.144 1.992 7.202 1.00 0.34 H new ATOM 0 HD21 LEU A 48 -3.057 3.705 5.684 1.00 0.64 H new ATOM 0 HD22 LEU A 48 -4.278 2.662 4.917 1.00 0.64 H new ATOM 0 HD23 LEU A 48 -4.181 4.385 4.483 1.00 0.64 H new ATOM 725 N GLN A 49 -9.172 4.973 4.751 1.00 0.25 N ATOM 726 CA GLN A 49 -10.482 4.696 4.091 1.00 0.25 C ATOM 727 C GLN A 49 -10.660 5.590 2.861 1.00 0.25 C ATOM 728 O GLN A 49 -11.413 5.276 1.963 1.00 0.25 O ATOM 729 CB GLN A 49 -11.621 4.973 5.079 1.00 0.25 C ATOM 730 CG GLN A 49 -11.715 3.841 6.107 1.00 0.24 C ATOM 731 CD GLN A 49 -12.979 4.030 6.951 1.00 1.15 C ATOM 732 OE1 GLN A 49 -13.151 5.049 7.588 1.00 2.64 O ATOM 733 NE2 GLN A 49 -13.874 3.082 6.979 1.00 0.72 N ATOM 0 H GLN A 49 -9.234 5.321 5.708 1.00 0.25 H new ATOM 0 HA GLN A 49 -10.502 3.652 3.780 1.00 0.25 H new ATOM 0 HB2 GLN A 49 -11.449 5.922 5.587 1.00 0.25 H new ATOM 0 HB3 GLN A 49 -12.565 5.065 4.541 1.00 0.25 H new ATOM 0 HG2 GLN A 49 -11.742 2.876 5.601 1.00 0.24 H new ATOM 0 HG3 GLN A 49 -10.833 3.841 6.747 1.00 0.24 H new ATOM 0 HE21 GLN A 49 -13.728 2.227 6.443 1.00 0.72 H new ATOM 0 HE22 GLN A 49 -14.720 3.196 7.537 1.00 0.72 H new ATOM 742 N ASP A 50 -9.988 6.702 2.818 1.00 0.24 N ATOM 743 CA ASP A 50 -10.141 7.606 1.645 1.00 0.24 C ATOM 744 C ASP A 50 -9.403 7.016 0.447 1.00 0.26 C ATOM 745 O ASP A 50 -9.948 6.892 -0.632 1.00 0.23 O ATOM 746 CB ASP A 50 -9.562 8.984 1.978 1.00 0.22 C ATOM 747 CG ASP A 50 -9.732 9.914 0.776 1.00 1.36 C ATOM 748 OD1 ASP A 50 -10.847 10.031 0.297 1.00 1.75 O ATOM 749 OD2 ASP A 50 -8.744 10.492 0.356 1.00 2.33 O ATOM 0 H ASP A 50 -9.342 7.025 3.539 1.00 0.24 H new ATOM 0 HA ASP A 50 -11.199 7.709 1.404 1.00 0.24 H new ATOM 0 HB2 ASP A 50 -10.068 9.402 2.849 1.00 0.22 H new ATOM 0 HB3 ASP A 50 -8.507 8.894 2.235 1.00 0.22 H new ATOM 890 N GLY A 61 -12.040 -5.311 -3.002 1.00 0.12 N ATOM 891 CA GLY A 61 -11.565 -5.135 -1.597 1.00 0.20 C ATOM 892 C GLY A 61 -10.135 -5.672 -1.444 1.00 0.22 C ATOM 893 O GLY A 61 -9.764 -6.170 -0.400 1.00 0.25 O ATOM 0 HA2 GLY A 61 -11.595 -4.080 -1.326 1.00 0.20 H new ATOM 0 HA3 GLY A 61 -12.232 -5.659 -0.913 1.00 0.20 H new ATOM 897 N THR A 62 -9.324 -5.573 -2.471 1.00 0.21 N ATOM 898 CA THR A 62 -7.917 -6.075 -2.386 1.00 0.24 C ATOM 899 C THR A 62 -6.986 -5.088 -3.102 1.00 0.22 C ATOM 900 O THR A 62 -7.433 -4.182 -3.777 1.00 0.21 O ATOM 901 CB THR A 62 -7.821 -7.437 -3.070 1.00 0.27 C ATOM 902 OG1 THR A 62 -8.351 -7.341 -4.385 1.00 0.28 O ATOM 903 CG2 THR A 62 -8.615 -8.469 -2.273 1.00 0.30 C ATOM 0 H THR A 62 -9.579 -5.163 -3.370 1.00 0.21 H new ATOM 0 HA THR A 62 -7.626 -6.169 -1.340 1.00 0.24 H new ATOM 0 HB THR A 62 -6.777 -7.747 -3.119 1.00 0.27 H new ATOM 0 HG1 THR A 62 -8.289 -8.213 -4.827 1.00 0.28 H new ATOM 0 HG21 THR A 62 -8.545 -9.440 -2.763 1.00 0.30 H new ATOM 0 HG22 THR A 62 -8.208 -8.542 -1.264 1.00 0.30 H new ATOM 0 HG23 THR A 62 -9.660 -8.163 -2.221 1.00 0.30 H new ATOM 911 N ILE A 63 -5.691 -5.253 -2.959 1.00 0.21 N ATOM 912 CA ILE A 63 -4.727 -4.325 -3.629 1.00 0.20 C ATOM 913 C ILE A 63 -3.538 -5.134 -4.165 1.00 0.23 C ATOM 914 O ILE A 63 -3.034 -6.015 -3.500 1.00 0.26 O ATOM 915 CB ILE A 63 -4.216 -3.293 -2.607 1.00 0.16 C ATOM 916 CG1 ILE A 63 -5.378 -2.863 -1.694 1.00 0.12 C ATOM 917 CG2 ILE A 63 -3.634 -2.067 -3.334 1.00 0.15 C ATOM 918 CD1 ILE A 63 -4.893 -1.839 -0.666 1.00 0.16 C ATOM 0 H ILE A 63 -5.261 -5.993 -2.405 1.00 0.21 H new ATOM 0 HA ILE A 63 -5.225 -3.811 -4.451 1.00 0.20 H new ATOM 0 HB ILE A 63 -3.428 -3.744 -2.004 1.00 0.16 H new ATOM 0 HG12 ILE A 63 -6.181 -2.435 -2.293 1.00 0.12 H new ATOM 0 HG13 ILE A 63 -5.790 -3.734 -1.184 1.00 0.12 H new ATOM 0 HG21 ILE A 63 -3.276 -1.345 -2.600 1.00 0.15 H new ATOM 0 HG22 ILE A 63 -2.805 -2.380 -3.969 1.00 0.15 H new ATOM 0 HG23 ILE A 63 -4.408 -1.607 -3.948 1.00 0.15 H new ATOM 0 HD11 ILE A 63 -5.725 -1.543 -0.027 1.00 0.16 H new ATOM 0 HD12 ILE A 63 -4.106 -2.281 -0.056 1.00 0.16 H new ATOM 0 HD13 ILE A 63 -4.503 -0.962 -1.182 1.00 0.16 H new ATOM 930 N ASP A 64 -3.081 -4.827 -5.351 1.00 0.22 N ATOM 931 CA ASP A 64 -1.906 -5.550 -5.939 1.00 0.24 C ATOM 932 C ASP A 64 -0.673 -4.628 -5.842 1.00 0.22 C ATOM 933 O ASP A 64 -0.796 -3.455 -5.549 1.00 0.21 O ATOM 934 CB ASP A 64 -2.217 -5.915 -7.399 1.00 0.28 C ATOM 935 CG ASP A 64 -2.372 -4.648 -8.246 1.00 0.29 C ATOM 936 OD1 ASP A 64 -2.092 -3.577 -7.738 1.00 0.27 O ATOM 937 OD2 ASP A 64 -2.768 -4.772 -9.393 1.00 0.31 O ATOM 0 H ASP A 64 -3.474 -4.098 -5.947 1.00 0.22 H new ATOM 0 HA ASP A 64 -1.702 -6.473 -5.396 1.00 0.24 H new ATOM 0 HB2 ASP A 64 -1.417 -6.535 -7.804 1.00 0.28 H new ATOM 0 HB3 ASP A 64 -3.132 -6.505 -7.446 1.00 0.28 H new ATOM 942 N PHE A 65 0.516 -5.146 -6.040 1.00 0.22 N ATOM 943 CA PHE A 65 1.743 -4.287 -5.906 1.00 0.21 C ATOM 944 C PHE A 65 1.778 -3.109 -6.913 1.00 0.25 C ATOM 945 O PHE A 65 2.102 -2.013 -6.501 1.00 0.25 O ATOM 946 CB PHE A 65 3.020 -5.146 -6.014 1.00 0.21 C ATOM 947 CG PHE A 65 4.233 -4.329 -5.609 1.00 0.21 C ATOM 948 CD1 PHE A 65 4.364 -3.861 -4.292 1.00 0.60 C ATOM 949 CD2 PHE A 65 5.235 -4.046 -6.551 1.00 0.63 C ATOM 950 CE1 PHE A 65 5.490 -3.113 -3.923 1.00 0.57 C ATOM 951 CE2 PHE A 65 6.357 -3.300 -6.179 1.00 0.67 C ATOM 952 CZ PHE A 65 6.486 -2.833 -4.866 1.00 0.22 C ATOM 0 H PHE A 65 0.693 -6.120 -6.287 1.00 0.22 H new ATOM 0 HA PHE A 65 1.701 -3.836 -4.915 1.00 0.21 H new ATOM 0 HB2 PHE A 65 2.933 -6.024 -5.374 1.00 0.21 H new ATOM 0 HB3 PHE A 65 3.140 -5.507 -7.035 1.00 0.21 H new ATOM 0 HD1 PHE A 65 3.597 -4.077 -3.563 1.00 0.60 H new ATOM 0 HD2 PHE A 65 5.139 -4.405 -7.565 1.00 0.63 H new ATOM 0 HE1 PHE A 65 5.590 -2.752 -2.910 1.00 0.57 H new ATOM 0 HE2 PHE A 65 7.126 -3.084 -6.906 1.00 0.67 H new ATOM 0 HZ PHE A 65 7.354 -2.257 -4.580 1.00 0.22 H new ATOM 962 N PRO A 66 1.456 -3.302 -8.185 1.00 0.29 N ATOM 963 CA PRO A 66 1.489 -2.168 -9.128 1.00 0.33 C ATOM 964 C PRO A 66 0.629 -1.020 -8.577 1.00 0.32 C ATOM 965 O PRO A 66 1.077 0.106 -8.465 1.00 0.33 O ATOM 966 CB PRO A 66 0.922 -2.723 -10.455 1.00 0.36 C ATOM 967 CG PRO A 66 0.685 -4.248 -10.253 1.00 0.35 C ATOM 968 CD PRO A 66 1.045 -4.590 -8.787 1.00 0.31 C ATOM 0 HA PRO A 66 2.491 -1.766 -9.275 1.00 0.33 H new ATOM 0 HB2 PRO A 66 -0.009 -2.220 -10.715 1.00 0.36 H new ATOM 0 HB3 PRO A 66 1.619 -2.547 -11.274 1.00 0.36 H new ATOM 0 HG2 PRO A 66 -0.354 -4.505 -10.462 1.00 0.35 H new ATOM 0 HG3 PRO A 66 1.301 -4.825 -10.943 1.00 0.35 H new ATOM 0 HD2 PRO A 66 0.192 -5.018 -8.260 1.00 0.31 H new ATOM 0 HD3 PRO A 66 1.850 -5.323 -8.739 1.00 0.31 H new ATOM 976 N GLU A 67 -0.596 -1.298 -8.226 1.00 0.32 N ATOM 977 CA GLU A 67 -1.469 -0.227 -7.681 1.00 0.32 C ATOM 978 C GLU A 67 -0.886 0.268 -6.357 1.00 0.32 C ATOM 979 O GLU A 67 -1.021 1.424 -6.004 1.00 0.33 O ATOM 980 CB GLU A 67 -2.880 -0.772 -7.446 1.00 0.32 C ATOM 981 CG GLU A 67 -3.476 -1.242 -8.776 1.00 0.38 C ATOM 982 CD GLU A 67 -4.716 -2.096 -8.505 1.00 0.37 C ATOM 983 OE1 GLU A 67 -4.621 -3.000 -7.692 1.00 0.35 O ATOM 984 OE2 GLU A 67 -5.738 -1.830 -9.115 1.00 0.40 O ATOM 0 H GLU A 67 -1.028 -2.220 -8.294 1.00 0.32 H new ATOM 0 HA GLU A 67 -1.521 0.596 -8.394 1.00 0.32 H new ATOM 0 HB2 GLU A 67 -2.848 -1.600 -6.737 1.00 0.32 H new ATOM 0 HB3 GLU A 67 -3.511 0.000 -7.006 1.00 0.32 H new ATOM 0 HG2 GLU A 67 -3.741 -0.383 -9.392 1.00 0.38 H new ATOM 0 HG3 GLU A 67 -2.738 -1.819 -9.334 1.00 0.38 H new ATOM 991 N PHE A 68 -0.229 -0.589 -5.623 1.00 0.29 N ATOM 992 CA PHE A 68 0.362 -0.145 -4.333 1.00 0.29 C ATOM 993 C PHE A 68 1.402 0.934 -4.627 1.00 0.30 C ATOM 994 O PHE A 68 1.550 1.887 -3.888 1.00 0.32 O ATOM 995 CB PHE A 68 1.018 -1.322 -3.598 1.00 0.26 C ATOM 996 CG PHE A 68 1.423 -0.882 -2.209 1.00 0.26 C ATOM 997 CD1 PHE A 68 0.469 -0.841 -1.184 1.00 0.27 C ATOM 998 CD2 PHE A 68 2.748 -0.510 -1.946 1.00 0.26 C ATOM 999 CE1 PHE A 68 0.842 -0.429 0.103 1.00 0.28 C ATOM 1000 CE2 PHE A 68 3.117 -0.098 -0.661 1.00 0.26 C ATOM 1001 CZ PHE A 68 2.164 -0.059 0.363 1.00 0.28 C ATOM 0 H PHE A 68 -0.078 -1.569 -5.860 1.00 0.29 H new ATOM 0 HA PHE A 68 -0.424 0.252 -3.690 1.00 0.29 H new ATOM 0 HB2 PHE A 68 0.324 -2.160 -3.538 1.00 0.26 H new ATOM 0 HB3 PHE A 68 1.891 -1.670 -4.151 1.00 0.26 H new ATOM 0 HD1 PHE A 68 -0.553 -1.127 -1.385 1.00 0.27 H new ATOM 0 HD2 PHE A 68 3.484 -0.541 -2.735 1.00 0.26 H new ATOM 0 HE1 PHE A 68 0.107 -0.398 0.894 1.00 0.28 H new ATOM 0 HE2 PHE A 68 4.138 0.190 -0.459 1.00 0.26 H new ATOM 0 HZ PHE A 68 2.451 0.257 1.355 1.00 0.28 H new ATOM 1011 N LEU A 69 2.125 0.795 -5.709 1.00 0.28 N ATOM 1012 CA LEU A 69 3.149 1.826 -6.051 1.00 0.29 C ATOM 1013 C LEU A 69 2.452 3.127 -6.459 1.00 0.32 C ATOM 1014 O LEU A 69 3.014 4.199 -6.351 1.00 0.34 O ATOM 1015 CB LEU A 69 4.013 1.350 -7.225 1.00 0.24 C ATOM 1016 CG LEU A 69 4.794 0.084 -6.856 1.00 0.30 C ATOM 1017 CD1 LEU A 69 5.663 -0.326 -8.052 1.00 0.20 C ATOM 1018 CD2 LEU A 69 5.694 0.347 -5.633 1.00 0.38 C ATOM 0 H LEU A 69 2.051 0.018 -6.366 1.00 0.28 H new ATOM 0 HA LEU A 69 3.778 1.991 -5.176 1.00 0.29 H new ATOM 0 HB2 LEU A 69 3.380 1.152 -8.090 1.00 0.24 H new ATOM 0 HB3 LEU A 69 4.708 2.139 -7.513 1.00 0.24 H new ATOM 0 HG LEU A 69 4.093 -0.713 -6.608 1.00 0.30 H new ATOM 0 HD11 LEU A 69 6.224 -1.226 -7.802 1.00 0.20 H new ATOM 0 HD12 LEU A 69 5.026 -0.523 -8.914 1.00 0.20 H new ATOM 0 HD13 LEU A 69 6.357 0.480 -8.291 1.00 0.20 H new ATOM 0 HD21 LEU A 69 6.242 -0.561 -5.383 1.00 0.38 H new ATOM 0 HD22 LEU A 69 6.400 1.145 -5.865 1.00 0.38 H new ATOM 0 HD23 LEU A 69 5.077 0.644 -4.785 1.00 0.38 H new ATOM 1030 N THR A 70 1.243 3.048 -6.943 1.00 0.33 N ATOM 1031 CA THR A 70 0.540 4.290 -7.371 1.00 0.37 C ATOM 1032 C THR A 70 0.033 5.059 -6.148 1.00 0.45 C ATOM 1033 O THR A 70 0.028 6.274 -6.134 1.00 0.41 O ATOM 1034 CB THR A 70 -0.629 3.932 -8.301 1.00 0.40 C ATOM 1035 OG1 THR A 70 -0.116 3.402 -9.516 1.00 0.35 O ATOM 1036 CG2 THR A 70 -1.450 5.187 -8.604 1.00 0.45 C ATOM 0 H THR A 70 0.715 2.183 -7.060 1.00 0.33 H new ATOM 0 HA THR A 70 1.240 4.926 -7.913 1.00 0.37 H new ATOM 0 HB THR A 70 -1.265 3.192 -7.815 1.00 0.40 H new ATOM 0 HG1 THR A 70 -0.859 3.171 -10.112 1.00 0.35 H new ATOM 0 HG21 THR A 70 -2.278 4.929 -9.264 1.00 0.45 H new ATOM 0 HG22 THR A 70 -1.842 5.599 -7.674 1.00 0.45 H new ATOM 0 HG23 THR A 70 -0.816 5.928 -9.090 1.00 0.45 H new ATOM 1044 N MET A 71 -0.395 4.377 -5.116 1.00 0.59 N ATOM 1045 CA MET A 71 -0.892 5.115 -3.913 1.00 0.70 C ATOM 1046 C MET A 71 0.293 5.731 -3.153 1.00 0.68 C ATOM 1047 O MET A 71 0.176 6.777 -2.543 1.00 0.72 O ATOM 1048 CB MET A 71 -1.756 4.193 -3.009 1.00 0.93 C ATOM 1049 CG MET A 71 -0.925 3.228 -2.124 1.00 0.74 C ATOM 1050 SD MET A 71 -1.767 2.991 -0.536 1.00 1.04 S ATOM 1051 CE MET A 71 -3.052 1.850 -1.114 1.00 0.59 C ATOM 0 H MET A 71 -0.423 3.359 -5.052 1.00 0.59 H new ATOM 0 HA MET A 71 -1.541 5.929 -4.236 1.00 0.70 H new ATOM 0 HB2 MET A 71 -2.382 4.813 -2.366 1.00 0.93 H new ATOM 0 HB3 MET A 71 -2.426 3.608 -3.638 1.00 0.93 H new ATOM 0 HG2 MET A 71 -0.801 2.270 -2.629 1.00 0.74 H new ATOM 0 HG3 MET A 71 0.073 3.634 -1.962 1.00 0.74 H new ATOM 0 HE1 MET A 71 -4.028 2.200 -0.777 1.00 0.59 H new ATOM 0 HE2 MET A 71 -3.038 1.808 -2.203 1.00 0.59 H new ATOM 0 HE3 MET A 71 -2.864 0.855 -0.710 1.00 0.59 H new ATOM 1061 N MET A 72 1.438 5.100 -3.194 1.00 0.66 N ATOM 1062 CA MET A 72 2.623 5.659 -2.485 1.00 0.67 C ATOM 1063 C MET A 72 3.149 6.872 -3.256 1.00 0.60 C ATOM 1064 O MET A 72 3.546 7.861 -2.671 1.00 0.70 O ATOM 1065 CB MET A 72 3.726 4.593 -2.398 1.00 0.65 C ATOM 1066 CG MET A 72 3.325 3.470 -1.415 1.00 0.61 C ATOM 1067 SD MET A 72 4.803 2.842 -0.578 1.00 1.30 S ATOM 1068 CE MET A 72 4.890 4.115 0.706 1.00 0.52 C ATOM 0 H MET A 72 1.602 4.223 -3.688 1.00 0.66 H new ATOM 0 HA MET A 72 2.333 5.961 -1.479 1.00 0.67 H new ATOM 0 HB2 MET A 72 3.908 4.170 -3.386 1.00 0.65 H new ATOM 0 HB3 MET A 72 4.658 5.053 -2.071 1.00 0.65 H new ATOM 0 HG2 MET A 72 2.614 3.851 -0.682 1.00 0.61 H new ATOM 0 HG3 MET A 72 2.828 2.662 -1.952 1.00 0.61 H new ATOM 0 HE1 MET A 72 5.888 4.122 1.144 1.00 0.52 H new ATOM 0 HE2 MET A 72 4.679 5.090 0.267 1.00 0.52 H new ATOM 0 HE3 MET A 72 4.155 3.900 1.482 1.00 0.52 H new ATOM 1078 N ALA A 73 3.158 6.811 -4.562 1.00 0.44 N ATOM 1079 CA ALA A 73 3.661 7.967 -5.345 1.00 0.38 C ATOM 1080 C ALA A 73 2.732 9.164 -5.127 1.00 0.42 C ATOM 1081 O ALA A 73 3.155 10.303 -5.157 1.00 0.45 O ATOM 1082 CB ALA A 73 3.707 7.602 -6.832 1.00 0.29 C ATOM 0 H ALA A 73 2.840 6.014 -5.113 1.00 0.44 H new ATOM 0 HA ALA A 73 4.667 8.225 -5.015 1.00 0.38 H new ATOM 0 HB1 ALA A 73 4.077 8.453 -7.404 1.00 0.29 H new ATOM 0 HB2 ALA A 73 4.372 6.751 -6.977 1.00 0.29 H new ATOM 0 HB3 ALA A 73 2.705 7.342 -7.174 1.00 0.29 H new ATOM 1222 N GLU A 82 12.798 11.372 -6.628 1.00 0.51 N ATOM 1223 CA GLU A 82 13.705 11.990 -7.628 1.00 0.51 C ATOM 1224 C GLU A 82 14.299 13.282 -7.053 1.00 0.44 C ATOM 1225 O GLU A 82 15.482 13.537 -7.158 1.00 0.42 O ATOM 1226 CB GLU A 82 12.879 12.285 -8.895 1.00 0.70 C ATOM 1227 CG GLU A 82 12.975 11.107 -9.876 1.00 0.17 C ATOM 1228 CD GLU A 82 14.374 11.069 -10.496 1.00 2.20 C ATOM 1229 OE1 GLU A 82 14.952 12.128 -10.670 1.00 3.17 O ATOM 1230 OE2 GLU A 82 14.841 9.980 -10.784 1.00 3.22 O ATOM 0 HA GLU A 82 14.529 11.320 -7.873 1.00 0.51 H new ATOM 0 HB2 GLU A 82 11.837 12.460 -8.626 1.00 0.70 H new ATOM 0 HB3 GLU A 82 13.243 13.195 -9.372 1.00 0.70 H new ATOM 0 HG2 GLU A 82 12.771 10.171 -9.357 1.00 0.17 H new ATOM 0 HG3 GLU A 82 12.222 11.209 -10.658 1.00 0.17 H new ATOM 1237 N GLU A 83 13.484 14.090 -6.446 1.00 0.48 N ATOM 1238 CA GLU A 83 13.984 15.368 -5.857 1.00 0.50 C ATOM 1239 C GLU A 83 14.933 15.054 -4.697 1.00 0.42 C ATOM 1240 O GLU A 83 15.733 15.876 -4.295 1.00 0.53 O ATOM 1241 CB GLU A 83 12.795 16.203 -5.350 1.00 0.57 C ATOM 1242 CG GLU A 83 12.175 16.989 -6.511 1.00 0.86 C ATOM 1243 CD GLU A 83 13.124 18.114 -6.928 1.00 2.42 C ATOM 1244 OE1 GLU A 83 13.635 18.788 -6.049 1.00 3.03 O ATOM 1245 OE2 GLU A 83 13.326 18.280 -8.119 1.00 3.42 O ATOM 0 H GLU A 83 12.484 13.924 -6.329 1.00 0.48 H new ATOM 0 HA GLU A 83 14.519 15.937 -6.617 1.00 0.50 H new ATOM 0 HB2 GLU A 83 12.046 15.550 -4.901 1.00 0.57 H new ATOM 0 HB3 GLU A 83 13.128 16.890 -4.571 1.00 0.57 H new ATOM 0 HG2 GLU A 83 11.988 16.325 -7.355 1.00 0.86 H new ATOM 0 HG3 GLU A 83 11.212 17.403 -6.211 1.00 0.86 H new ATOM 1252 N GLU A 84 14.847 13.874 -4.161 1.00 0.34 N ATOM 1253 CA GLU A 84 15.740 13.501 -3.027 1.00 0.43 C ATOM 1254 C GLU A 84 17.125 13.157 -3.565 1.00 0.46 C ATOM 1255 O GLU A 84 18.133 13.642 -3.083 1.00 0.50 O ATOM 1256 CB GLU A 84 15.159 12.290 -2.293 1.00 0.45 C ATOM 1257 CG GLU A 84 13.838 12.683 -1.631 1.00 0.52 C ATOM 1258 CD GLU A 84 14.107 13.665 -0.490 1.00 0.87 C ATOM 1259 OE1 GLU A 84 14.324 13.209 0.621 1.00 0.96 O ATOM 1260 OE2 GLU A 84 14.094 14.858 -0.747 1.00 2.15 O ATOM 0 H GLU A 84 14.196 13.147 -4.457 1.00 0.34 H new ATOM 0 HA GLU A 84 15.817 14.339 -2.334 1.00 0.43 H new ATOM 0 HB2 GLU A 84 14.998 11.470 -2.993 1.00 0.45 H new ATOM 0 HB3 GLU A 84 15.863 11.934 -1.541 1.00 0.45 H new ATOM 0 HG2 GLU A 84 13.173 13.137 -2.365 1.00 0.52 H new ATOM 0 HG3 GLU A 84 13.333 11.796 -1.249 1.00 0.52 H new ATOM 1267 N ILE A 85 17.184 12.332 -4.566 1.00 0.43 N ATOM 1268 CA ILE A 85 18.506 11.965 -5.142 1.00 0.46 C ATOM 1269 C ILE A 85 19.072 13.178 -5.891 1.00 0.51 C ATOM 1270 O ILE A 85 20.246 13.478 -5.805 1.00 0.56 O ATOM 1271 CB ILE A 85 18.356 10.765 -6.104 1.00 0.39 C ATOM 1272 CG1 ILE A 85 18.226 9.466 -5.284 1.00 0.38 C ATOM 1273 CG2 ILE A 85 19.592 10.682 -7.020 1.00 0.41 C ATOM 1274 CD1 ILE A 85 18.036 8.268 -6.221 1.00 0.29 C ATOM 0 H ILE A 85 16.377 11.895 -5.012 1.00 0.43 H new ATOM 0 HA ILE A 85 19.188 11.677 -4.342 1.00 0.46 H new ATOM 0 HB ILE A 85 17.464 10.896 -6.717 1.00 0.39 H new ATOM 0 HG12 ILE A 85 19.117 9.322 -4.673 1.00 0.38 H new ATOM 0 HG13 ILE A 85 17.380 9.541 -4.601 1.00 0.38 H new ATOM 0 HG21 ILE A 85 19.486 9.835 -7.698 1.00 0.41 H new ATOM 0 HG22 ILE A 85 19.679 11.602 -7.598 1.00 0.41 H new ATOM 0 HG23 ILE A 85 20.487 10.550 -6.412 1.00 0.41 H new ATOM 0 HD11 ILE A 85 17.945 7.356 -5.631 1.00 0.29 H new ATOM 0 HD12 ILE A 85 17.132 8.409 -6.813 1.00 0.29 H new ATOM 0 HD13 ILE A 85 18.896 8.186 -6.886 1.00 0.29 H new ATOM 1286 N ARG A 86 18.249 13.876 -6.625 1.00 0.51 N ATOM 1287 CA ARG A 86 18.745 15.061 -7.376 1.00 0.57 C ATOM 1288 C ARG A 86 19.205 16.134 -6.385 1.00 0.64 C ATOM 1289 O ARG A 86 20.084 16.919 -6.677 1.00 0.66 O ATOM 1290 CB ARG A 86 17.616 15.618 -8.246 1.00 0.58 C ATOM 1291 CG ARG A 86 18.189 16.616 -9.263 1.00 0.58 C ATOM 1292 CD ARG A 86 17.046 17.371 -9.969 1.00 0.73 C ATOM 1293 NE ARG A 86 17.383 17.562 -11.415 1.00 1.66 N ATOM 1294 CZ ARG A 86 18.550 18.022 -11.785 1.00 3.11 C ATOM 1295 NH1 ARG A 86 19.391 18.480 -10.900 1.00 4.04 N ATOM 1296 NH2 ARG A 86 18.855 18.072 -13.053 1.00 4.11 N ATOM 0 H ARG A 86 17.255 13.676 -6.736 1.00 0.51 H new ATOM 0 HA ARG A 86 19.582 14.769 -8.010 1.00 0.57 H new ATOM 0 HB2 ARG A 86 17.110 14.805 -8.766 1.00 0.58 H new ATOM 0 HB3 ARG A 86 16.871 16.109 -7.620 1.00 0.58 H new ATOM 0 HG2 ARG A 86 18.845 17.325 -8.758 1.00 0.58 H new ATOM 0 HG3 ARG A 86 18.796 16.089 -9.999 1.00 0.58 H new ATOM 0 HD2 ARG A 86 16.115 16.812 -9.874 1.00 0.73 H new ATOM 0 HD3 ARG A 86 16.887 18.338 -9.492 1.00 0.73 H new ATOM 0 HE ARG A 86 16.689 17.329 -12.125 1.00 1.66 H new ATOM 0 HH11 ARG A 86 19.141 18.481 -9.911 1.00 4.04 H new ATOM 0 HH12 ARG A 86 20.299 18.837 -11.197 1.00 4.04 H new ATOM 0 HH21 ARG A 86 18.184 17.753 -13.752 1.00 4.11 H new ATOM 0 HH22 ARG A 86 19.764 18.430 -13.345 1.00 4.11 H new ATOM 1310 N GLU A 87 18.617 16.186 -5.215 1.00 0.79 N ATOM 1311 CA GLU A 87 19.040 17.223 -4.230 1.00 0.87 C ATOM 1312 C GLU A 87 20.424 16.865 -3.671 1.00 0.77 C ATOM 1313 O GLU A 87 21.193 17.736 -3.316 1.00 0.72 O ATOM 1314 CB GLU A 87 18.001 17.338 -3.093 1.00 0.99 C ATOM 1315 CG GLU A 87 16.883 18.302 -3.508 1.00 0.94 C ATOM 1316 CD GLU A 87 15.700 18.156 -2.548 1.00 1.72 C ATOM 1317 OE1 GLU A 87 15.892 18.379 -1.365 1.00 2.44 O ATOM 1318 OE2 GLU A 87 14.622 17.823 -3.014 1.00 2.48 O ATOM 0 H GLU A 87 17.872 15.563 -4.904 1.00 0.79 H new ATOM 0 HA GLU A 87 19.102 18.190 -4.728 1.00 0.87 H new ATOM 0 HB2 GLU A 87 17.583 16.357 -2.869 1.00 0.99 H new ATOM 0 HB3 GLU A 87 18.482 17.695 -2.183 1.00 0.99 H new ATOM 0 HG2 GLU A 87 17.250 19.328 -3.496 1.00 0.94 H new ATOM 0 HG3 GLU A 87 16.565 18.089 -4.529 1.00 0.94 H new ATOM 1325 N ALA A 88 20.778 15.602 -3.625 1.00 0.75 N ATOM 1326 CA ALA A 88 22.136 15.253 -3.131 1.00 0.67 C ATOM 1327 C ALA A 88 23.095 15.507 -4.274 1.00 0.59 C ATOM 1328 O ALA A 88 24.169 16.032 -4.101 1.00 0.55 O ATOM 1329 CB ALA A 88 22.201 13.779 -2.734 1.00 0.68 C ATOM 0 H ALA A 88 20.193 14.815 -3.904 1.00 0.75 H new ATOM 0 HA ALA A 88 22.388 15.849 -2.254 1.00 0.67 H new ATOM 0 HB1 ALA A 88 23.203 13.543 -2.375 1.00 0.68 H new ATOM 0 HB2 ALA A 88 21.477 13.583 -1.944 1.00 0.68 H new ATOM 0 HB3 ALA A 88 21.970 13.158 -3.600 1.00 0.68 H new ATOM 1335 N PHE A 89 22.694 15.159 -5.454 1.00 0.58 N ATOM 1336 CA PHE A 89 23.576 15.412 -6.606 1.00 0.53 C ATOM 1337 C PHE A 89 23.746 16.932 -6.714 1.00 0.59 C ATOM 1338 O PHE A 89 24.794 17.425 -7.083 1.00 0.64 O ATOM 1339 CB PHE A 89 22.947 14.858 -7.893 1.00 0.57 C ATOM 1340 CG PHE A 89 23.329 13.395 -8.114 1.00 0.44 C ATOM 1341 CD1 PHE A 89 24.644 13.035 -8.464 1.00 0.30 C ATOM 1342 CD2 PHE A 89 22.361 12.383 -7.961 1.00 0.50 C ATOM 1343 CE1 PHE A 89 24.969 11.700 -8.665 1.00 0.25 C ATOM 1344 CE2 PHE A 89 22.711 11.029 -8.160 1.00 0.38 C ATOM 1345 CZ PHE A 89 24.025 10.704 -8.520 1.00 0.25 C ATOM 0 H PHE A 89 21.801 14.714 -5.668 1.00 0.58 H new ATOM 0 HA PHE A 89 24.539 14.920 -6.471 1.00 0.53 H new ATOM 0 HB2 PHE A 89 21.862 14.948 -7.838 1.00 0.57 H new ATOM 0 HB3 PHE A 89 23.274 15.454 -8.745 1.00 0.57 H new ATOM 0 HD1 PHE A 89 25.401 13.797 -8.576 1.00 0.30 H new ATOM 0 HD2 PHE A 89 21.348 12.643 -7.691 1.00 0.50 H new ATOM 0 HE1 PHE A 89 25.980 11.436 -8.940 1.00 0.25 H new ATOM 0 HE2 PHE A 89 21.972 10.251 -8.036 1.00 0.38 H new ATOM 0 HZ PHE A 89 24.300 9.673 -8.684 1.00 0.25 H new ATOM 1355 N ARG A 90 22.723 17.682 -6.370 1.00 0.57 N ATOM 1356 CA ARG A 90 22.842 19.165 -6.430 1.00 0.62 C ATOM 1357 C ARG A 90 24.045 19.570 -5.584 1.00 0.44 C ATOM 1358 O ARG A 90 24.926 20.283 -6.024 1.00 0.35 O ATOM 1359 CB ARG A 90 21.566 19.809 -5.877 1.00 0.81 C ATOM 1360 CG ARG A 90 21.485 21.273 -6.335 1.00 0.90 C ATOM 1361 CD ARG A 90 20.376 22.021 -5.558 1.00 1.26 C ATOM 1362 NE ARG A 90 19.530 22.824 -6.502 1.00 1.10 N ATOM 1363 CZ ARG A 90 20.067 23.578 -7.428 1.00 0.54 C ATOM 1364 NH1 ARG A 90 21.362 23.720 -7.493 1.00 1.06 N ATOM 1365 NH2 ARG A 90 19.303 24.212 -8.275 1.00 0.66 N ATOM 0 H ARG A 90 21.820 17.329 -6.053 1.00 0.57 H new ATOM 0 HA ARG A 90 22.975 19.499 -7.459 1.00 0.62 H new ATOM 0 HB2 ARG A 90 20.690 19.260 -6.224 1.00 0.81 H new ATOM 0 HB3 ARG A 90 21.564 19.758 -4.788 1.00 0.81 H new ATOM 0 HG2 ARG A 90 22.445 21.764 -6.175 1.00 0.90 H new ATOM 0 HG3 ARG A 90 21.280 21.315 -7.405 1.00 0.90 H new ATOM 0 HD2 ARG A 90 19.754 21.306 -5.020 1.00 1.26 H new ATOM 0 HD3 ARG A 90 20.824 22.678 -4.812 1.00 1.26 H new ATOM 0 HE ARG A 90 18.514 22.782 -6.421 1.00 1.10 H new ATOM 0 HH11 ARG A 90 21.962 23.242 -6.820 1.00 1.06 H new ATOM 0 HH12 ARG A 90 21.775 24.309 -8.217 1.00 1.06 H new ATOM 0 HH21 ARG A 90 18.289 24.120 -8.215 1.00 0.66 H new ATOM 0 HH22 ARG A 90 19.720 24.800 -8.997 1.00 0.66 H new ATOM 1379 N VAL A 91 24.101 19.086 -4.373 1.00 0.42 N ATOM 1380 CA VAL A 91 25.262 19.401 -3.490 1.00 0.30 C ATOM 1381 C VAL A 91 26.536 19.075 -4.266 1.00 0.12 C ATOM 1382 O VAL A 91 27.603 19.589 -3.992 1.00 0.17 O ATOM 1383 CB VAL A 91 25.197 18.508 -2.219 1.00 0.42 C ATOM 1384 CG1 VAL A 91 26.608 18.254 -1.650 1.00 0.42 C ATOM 1385 CG2 VAL A 91 24.335 19.193 -1.145 1.00 0.57 C ATOM 0 H VAL A 91 23.391 18.484 -3.955 1.00 0.42 H new ATOM 0 HA VAL A 91 25.247 20.450 -3.194 1.00 0.30 H new ATOM 0 HB VAL A 91 24.754 17.552 -2.498 1.00 0.42 H new ATOM 0 HG11 VAL A 91 26.535 17.627 -0.761 1.00 0.42 H new ATOM 0 HG12 VAL A 91 27.218 17.750 -2.400 1.00 0.42 H new ATOM 0 HG13 VAL A 91 27.070 19.205 -1.386 1.00 0.42 H new ATOM 0 HG21 VAL A 91 24.293 18.563 -0.256 1.00 0.57 H new ATOM 0 HG22 VAL A 91 24.774 20.157 -0.886 1.00 0.57 H new ATOM 0 HG23 VAL A 91 23.327 19.345 -1.530 1.00 0.57 H new ATOM 1395 N PHE A 92 26.425 18.170 -5.197 1.00 0.20 N ATOM 1396 CA PHE A 92 27.610 17.717 -5.973 1.00 0.17 C ATOM 1397 C PHE A 92 27.686 18.390 -7.344 1.00 0.42 C ATOM 1398 O PHE A 92 28.690 18.331 -8.017 1.00 0.55 O ATOM 1399 CB PHE A 92 27.491 16.190 -6.070 1.00 0.23 C ATOM 1400 CG PHE A 92 28.160 15.600 -4.863 1.00 0.22 C ATOM 1401 CD1 PHE A 92 29.528 15.432 -4.923 1.00 0.30 C ATOM 1402 CD2 PHE A 92 27.449 15.322 -3.673 1.00 0.38 C ATOM 1403 CE1 PHE A 92 30.230 14.964 -3.807 1.00 0.55 C ATOM 1404 CE2 PHE A 92 28.151 14.874 -2.550 1.00 0.58 C ATOM 1405 CZ PHE A 92 29.541 14.694 -2.617 1.00 0.68 C ATOM 0 H PHE A 92 25.548 17.718 -5.456 1.00 0.20 H new ATOM 0 HA PHE A 92 28.540 17.999 -5.479 1.00 0.17 H new ATOM 0 HB2 PHE A 92 26.444 15.890 -6.111 1.00 0.23 H new ATOM 0 HB3 PHE A 92 27.962 15.827 -6.983 1.00 0.23 H new ATOM 0 HD1 PHE A 92 30.059 15.663 -5.835 1.00 0.30 H new ATOM 0 HD2 PHE A 92 26.378 15.454 -3.632 1.00 0.38 H new ATOM 0 HE1 PHE A 92 31.298 14.812 -3.862 1.00 0.55 H new ATOM 0 HE2 PHE A 92 27.623 14.666 -1.631 1.00 0.58 H new ATOM 0 HZ PHE A 92 30.081 14.346 -1.749 1.00 0.68 H new ATOM 1415 N ASP A 93 26.670 19.085 -7.715 1.00 0.52 N ATOM 1416 CA ASP A 93 26.678 19.818 -9.016 1.00 0.77 C ATOM 1417 C ASP A 93 27.260 21.212 -8.764 1.00 0.60 C ATOM 1418 O ASP A 93 26.602 22.222 -8.922 1.00 0.54 O ATOM 1419 CB ASP A 93 25.250 19.950 -9.549 1.00 0.98 C ATOM 1420 CG ASP A 93 25.256 20.791 -10.827 1.00 1.19 C ATOM 1421 OD1 ASP A 93 26.335 21.062 -11.327 1.00 0.39 O ATOM 1422 OD2 ASP A 93 24.184 21.149 -11.283 1.00 2.45 O ATOM 0 H ASP A 93 25.813 19.187 -7.172 1.00 0.52 H new ATOM 0 HA ASP A 93 27.275 19.278 -9.751 1.00 0.77 H new ATOM 0 HB2 ASP A 93 24.834 18.963 -9.753 1.00 0.98 H new ATOM 0 HB3 ASP A 93 24.612 20.416 -8.798 1.00 0.98 H new ATOM 1489 N TYR A 99 26.753 18.218 -14.606 1.00 0.83 N ATOM 1490 CA TYR A 99 27.818 17.205 -14.923 1.00 0.57 C ATOM 1491 C TYR A 99 28.822 17.122 -13.768 1.00 0.52 C ATOM 1492 O TYR A 99 29.291 18.130 -13.275 1.00 0.54 O ATOM 1493 CB TYR A 99 28.568 17.632 -16.191 1.00 0.49 C ATOM 1494 CG TYR A 99 27.707 17.405 -17.413 1.00 0.47 C ATOM 1495 CD1 TYR A 99 26.624 18.250 -17.669 1.00 0.99 C ATOM 1496 CD2 TYR A 99 27.998 16.355 -18.293 1.00 0.91 C ATOM 1497 CE1 TYR A 99 25.829 18.047 -18.803 1.00 0.89 C ATOM 1498 CE2 TYR A 99 27.206 16.153 -19.428 1.00 1.06 C ATOM 1499 CZ TYR A 99 26.121 16.998 -19.683 1.00 0.56 C ATOM 1500 OH TYR A 99 25.339 16.797 -20.800 1.00 0.66 O ATOM 0 HA TYR A 99 27.347 16.234 -15.072 1.00 0.57 H new ATOM 0 HB2 TYR A 99 28.843 18.685 -16.122 1.00 0.49 H new ATOM 0 HB3 TYR A 99 29.495 17.066 -16.281 1.00 0.49 H new ATOM 0 HD1 TYR A 99 26.400 19.061 -16.991 1.00 0.99 H new ATOM 0 HD2 TYR A 99 28.834 15.701 -18.095 1.00 0.91 H new ATOM 0 HE1 TYR A 99 24.991 18.699 -18.999 1.00 0.89 H new ATOM 0 HE2 TYR A 99 27.432 15.345 -20.107 1.00 1.06 H new ATOM 0 HH TYR A 99 25.679 16.028 -21.304 1.00 0.66 H new ATOM 1510 N ILE A 100 29.194 15.930 -13.358 1.00 0.44 N ATOM 1511 CA ILE A 100 30.218 15.794 -12.259 1.00 0.37 C ATOM 1512 C ILE A 100 31.150 14.627 -12.591 1.00 0.30 C ATOM 1513 O ILE A 100 30.895 13.856 -13.495 1.00 0.28 O ATOM 1514 CB ILE A 100 29.575 15.537 -10.878 1.00 0.30 C ATOM 1515 CG1 ILE A 100 28.658 14.309 -10.931 1.00 0.28 C ATOM 1516 CG2 ILE A 100 28.765 16.755 -10.419 1.00 0.37 C ATOM 1517 CD1 ILE A 100 27.938 14.127 -9.583 1.00 0.24 C ATOM 0 H ILE A 100 28.838 15.050 -13.731 1.00 0.44 H new ATOM 0 HA ILE A 100 30.764 16.736 -12.201 1.00 0.37 H new ATOM 0 HB ILE A 100 30.380 15.356 -10.165 1.00 0.30 H new ATOM 0 HG12 ILE A 100 27.926 14.427 -11.730 1.00 0.28 H new ATOM 0 HG13 ILE A 100 29.243 13.419 -11.163 1.00 0.28 H new ATOM 0 HG21 ILE A 100 28.322 16.551 -9.444 1.00 0.37 H new ATOM 0 HG22 ILE A 100 29.422 17.622 -10.344 1.00 0.37 H new ATOM 0 HG23 ILE A 100 27.975 16.960 -11.141 1.00 0.37 H new ATOM 0 HD11 ILE A 100 27.290 13.252 -9.632 1.00 0.24 H new ATOM 0 HD12 ILE A 100 28.675 13.988 -8.792 1.00 0.24 H new ATOM 0 HD13 ILE A 100 27.338 15.012 -9.368 1.00 0.24 H new ATOM 1529 N SER A 101 32.219 14.481 -11.858 1.00 0.30 N ATOM 1530 CA SER A 101 33.156 13.350 -12.127 1.00 0.26 C ATOM 1531 C SER A 101 32.558 12.058 -11.564 1.00 0.26 C ATOM 1532 O SER A 101 31.972 12.041 -10.501 1.00 0.28 O ATOM 1533 CB SER A 101 34.508 13.627 -11.469 1.00 0.33 C ATOM 1534 OG SER A 101 34.341 13.695 -10.058 1.00 0.40 O ATOM 0 H SER A 101 32.485 15.093 -11.086 1.00 0.30 H new ATOM 0 HA SER A 101 33.303 13.246 -13.202 1.00 0.26 H new ATOM 0 HB2 SER A 101 35.218 12.840 -11.725 1.00 0.33 H new ATOM 0 HB3 SER A 101 34.922 14.563 -11.843 1.00 0.33 H new ATOM 0 HG SER A 101 35.207 13.871 -9.634 1.00 0.40 H new ATOM 1540 N ALA A 102 32.697 10.980 -12.284 1.00 0.24 N ATOM 1541 CA ALA A 102 32.134 9.679 -11.820 1.00 0.25 C ATOM 1542 C ALA A 102 32.416 9.461 -10.336 1.00 0.26 C ATOM 1543 O ALA A 102 31.612 8.897 -9.628 1.00 0.29 O ATOM 1544 CB ALA A 102 32.773 8.549 -12.618 1.00 0.26 C ATOM 0 H ALA A 102 33.180 10.943 -13.181 1.00 0.24 H new ATOM 0 HA ALA A 102 31.055 9.692 -11.971 1.00 0.25 H new ATOM 0 HB1 ALA A 102 32.367 7.594 -12.285 1.00 0.26 H new ATOM 0 HB2 ALA A 102 32.558 8.685 -13.678 1.00 0.26 H new ATOM 0 HB3 ALA A 102 33.852 8.559 -12.463 1.00 0.26 H new ATOM 1550 N ALA A 103 33.544 9.893 -9.853 1.00 0.26 N ATOM 1551 CA ALA A 103 33.842 9.685 -8.406 1.00 0.28 C ATOM 1552 C ALA A 103 32.790 10.412 -7.586 1.00 0.27 C ATOM 1553 O ALA A 103 32.110 9.832 -6.769 1.00 0.28 O ATOM 1554 CB ALA A 103 35.232 10.233 -8.075 1.00 0.31 C ATOM 0 H ALA A 103 34.267 10.376 -10.387 1.00 0.26 H new ATOM 0 HA ALA A 103 33.825 8.620 -8.173 1.00 0.28 H new ATOM 0 HB1 ALA A 103 35.442 10.077 -7.017 1.00 0.31 H new ATOM 0 HB2 ALA A 103 35.980 9.713 -8.674 1.00 0.31 H new ATOM 0 HB3 ALA A 103 35.265 11.299 -8.298 1.00 0.31 H new ATOM 1560 N GLU A 104 32.639 11.671 -7.824 1.00 0.29 N ATOM 1561 CA GLU A 104 31.611 12.461 -7.094 1.00 0.31 C ATOM 1562 C GLU A 104 30.247 11.797 -7.318 1.00 0.28 C ATOM 1563 O GLU A 104 29.390 11.812 -6.458 1.00 0.29 O ATOM 1564 CB GLU A 104 31.606 13.880 -7.674 1.00 0.37 C ATOM 1565 CG GLU A 104 32.643 14.749 -6.954 1.00 0.49 C ATOM 1566 CD GLU A 104 32.858 16.042 -7.739 1.00 0.33 C ATOM 1567 OE1 GLU A 104 32.358 16.129 -8.849 1.00 0.81 O ATOM 1568 OE2 GLU A 104 33.517 16.926 -7.218 1.00 0.64 O ATOM 0 H GLU A 104 33.188 12.201 -8.501 1.00 0.29 H new ATOM 0 HA GLU A 104 31.823 12.501 -6.026 1.00 0.31 H new ATOM 0 HB2 GLU A 104 31.827 13.846 -8.741 1.00 0.37 H new ATOM 0 HB3 GLU A 104 30.615 14.321 -7.568 1.00 0.37 H new ATOM 0 HG2 GLU A 104 32.304 14.977 -5.944 1.00 0.49 H new ATOM 0 HG3 GLU A 104 33.584 14.208 -6.860 1.00 0.49 H new ATOM 1575 N LEU A 105 30.043 11.213 -8.469 1.00 0.26 N ATOM 1576 CA LEU A 105 28.743 10.546 -8.747 1.00 0.25 C ATOM 1577 C LEU A 105 28.622 9.303 -7.872 1.00 0.23 C ATOM 1578 O LEU A 105 27.643 9.110 -7.179 1.00 0.23 O ATOM 1579 CB LEU A 105 28.675 10.134 -10.226 1.00 0.25 C ATOM 1580 CG LEU A 105 27.267 9.538 -10.558 1.00 0.26 C ATOM 1581 CD1 LEU A 105 26.460 10.425 -11.534 1.00 0.18 C ATOM 1582 CD2 LEU A 105 27.407 8.155 -11.188 1.00 0.37 C ATOM 0 H LEU A 105 30.723 11.170 -9.228 1.00 0.26 H new ATOM 0 HA LEU A 105 27.928 11.236 -8.528 1.00 0.25 H new ATOM 0 HB2 LEU A 105 28.871 10.998 -10.861 1.00 0.25 H new ATOM 0 HB3 LEU A 105 29.449 9.398 -10.442 1.00 0.25 H new ATOM 0 HG LEU A 105 26.732 9.483 -9.610 1.00 0.26 H new ATOM 0 HD11 LEU A 105 25.492 9.964 -11.729 1.00 0.18 H new ATOM 0 HD12 LEU A 105 26.310 11.410 -11.091 1.00 0.18 H new ATOM 0 HD13 LEU A 105 27.008 10.528 -12.470 1.00 0.18 H new ATOM 0 HD21 LEU A 105 26.418 7.756 -11.412 1.00 0.37 H new ATOM 0 HD22 LEU A 105 27.985 8.232 -12.109 1.00 0.37 H new ATOM 0 HD23 LEU A 105 27.918 7.489 -10.493 1.00 0.37 H new ATOM 1594 N ARG A 106 29.622 8.470 -7.879 1.00 0.22 N ATOM 1595 CA ARG A 106 29.571 7.261 -7.025 1.00 0.22 C ATOM 1596 C ARG A 106 29.451 7.738 -5.585 1.00 0.22 C ATOM 1597 O ARG A 106 28.752 7.168 -4.778 1.00 0.27 O ATOM 1598 CB ARG A 106 30.866 6.454 -7.198 1.00 0.25 C ATOM 1599 CG ARG A 106 30.798 5.599 -8.478 1.00 0.71 C ATOM 1600 CD ARG A 106 32.215 5.324 -8.996 1.00 0.91 C ATOM 1601 NE ARG A 106 33.028 4.696 -7.917 1.00 0.50 N ATOM 1602 CZ ARG A 106 34.161 4.117 -8.209 1.00 1.20 C ATOM 1603 NH1 ARG A 106 34.593 4.114 -9.440 1.00 2.30 N ATOM 1604 NH2 ARG A 106 34.861 3.547 -7.269 1.00 1.64 N ATOM 0 H ARG A 106 30.469 8.576 -8.438 1.00 0.22 H new ATOM 0 HA ARG A 106 28.729 6.624 -7.296 1.00 0.22 H new ATOM 0 HB2 ARG A 106 31.719 7.130 -7.249 1.00 0.25 H new ATOM 0 HB3 ARG A 106 31.020 5.811 -6.331 1.00 0.25 H new ATOM 0 HG2 ARG A 106 30.288 4.658 -8.271 1.00 0.71 H new ATOM 0 HG3 ARG A 106 30.216 6.116 -9.241 1.00 0.71 H new ATOM 0 HD2 ARG A 106 32.174 4.666 -9.864 1.00 0.91 H new ATOM 0 HD3 ARG A 106 32.681 6.254 -9.322 1.00 0.91 H new ATOM 0 HE ARG A 106 32.700 4.718 -6.951 1.00 0.50 H new ATOM 0 HH11 ARG A 106 34.046 4.564 -10.174 1.00 2.30 H new ATOM 0 HH12 ARG A 106 35.478 3.662 -9.669 1.00 2.30 H new ATOM 0 HH21 ARG A 106 34.523 3.554 -6.307 1.00 1.64 H new ATOM 0 HH22 ARG A 106 35.746 3.094 -7.496 1.00 1.64 H new ATOM 1618 N HIS A 107 30.137 8.803 -5.282 1.00 0.17 N ATOM 1619 CA HIS A 107 30.106 9.379 -3.921 1.00 0.16 C ATOM 1620 C HIS A 107 28.689 9.869 -3.597 1.00 0.16 C ATOM 1621 O HIS A 107 28.179 9.637 -2.520 1.00 0.16 O ATOM 1622 CB HIS A 107 31.101 10.549 -3.881 1.00 0.16 C ATOM 1623 CG HIS A 107 31.472 10.841 -2.463 1.00 0.23 C ATOM 1624 ND1 HIS A 107 32.607 10.322 -1.861 1.00 0.56 N ATOM 1625 CD2 HIS A 107 30.853 11.593 -1.519 1.00 0.47 C ATOM 1626 CE1 HIS A 107 32.629 10.775 -0.594 1.00 0.54 C ATOM 1627 NE2 HIS A 107 31.579 11.559 -0.331 1.00 0.39 N ATOM 0 H HIS A 107 30.731 9.307 -5.941 1.00 0.17 H new ATOM 0 HA HIS A 107 30.383 8.629 -3.180 1.00 0.16 H new ATOM 0 HB2 HIS A 107 31.992 10.302 -4.458 1.00 0.16 H new ATOM 0 HB3 HIS A 107 30.658 11.432 -4.341 1.00 0.16 H new ATOM 0 HD2 HIS A 107 29.932 12.138 -1.667 1.00 0.47 H new ATOM 0 HE1 HIS A 107 33.401 10.535 0.122 1.00 0.54 H new ATOM 0 HE2 HIS A 107 31.358 12.029 0.547 1.00 0.39 H new ATOM 1635 N VAL A 108 28.040 10.526 -4.523 1.00 0.17 N ATOM 1636 CA VAL A 108 26.654 10.999 -4.254 1.00 0.18 C ATOM 1637 C VAL A 108 25.787 9.780 -3.930 1.00 0.16 C ATOM 1638 O VAL A 108 24.869 9.844 -3.137 1.00 0.18 O ATOM 1639 CB VAL A 108 26.070 11.692 -5.501 1.00 0.20 C ATOM 1640 CG1 VAL A 108 24.535 11.866 -5.332 1.00 0.23 C ATOM 1641 CG2 VAL A 108 26.734 13.069 -5.681 1.00 0.41 C ATOM 0 H VAL A 108 28.408 10.753 -5.447 1.00 0.17 H new ATOM 0 HA VAL A 108 26.669 11.707 -3.425 1.00 0.18 H new ATOM 0 HB VAL A 108 26.265 11.080 -6.381 1.00 0.20 H new ATOM 0 HG11 VAL A 108 24.125 12.356 -6.215 1.00 0.23 H new ATOM 0 HG12 VAL A 108 24.069 10.888 -5.211 1.00 0.23 H new ATOM 0 HG13 VAL A 108 24.333 12.476 -4.452 1.00 0.23 H new ATOM 0 HG21 VAL A 108 26.321 13.559 -6.563 1.00 0.41 H new ATOM 0 HG22 VAL A 108 26.542 13.683 -4.801 1.00 0.41 H new ATOM 0 HG23 VAL A 108 27.809 12.941 -5.807 1.00 0.41 H new ATOM 1651 N MET A 109 26.054 8.676 -4.581 1.00 0.14 N ATOM 1652 CA MET A 109 25.225 7.463 -4.357 1.00 0.12 C ATOM 1653 C MET A 109 25.616 6.763 -3.037 1.00 0.11 C ATOM 1654 O MET A 109 24.791 6.125 -2.411 1.00 0.13 O ATOM 1655 CB MET A 109 25.402 6.503 -5.543 1.00 0.10 C ATOM 1656 CG MET A 109 25.056 7.224 -6.857 1.00 0.17 C ATOM 1657 SD MET A 109 25.852 6.364 -8.241 1.00 0.17 S ATOM 1658 CE MET A 109 24.410 5.426 -8.806 1.00 0.35 C ATOM 0 H MET A 109 26.810 8.567 -5.256 1.00 0.14 H new ATOM 0 HA MET A 109 24.179 7.759 -4.280 1.00 0.12 H new ATOM 0 HB2 MET A 109 26.429 6.139 -5.577 1.00 0.10 H new ATOM 0 HB3 MET A 109 24.759 5.632 -5.416 1.00 0.10 H new ATOM 0 HG2 MET A 109 23.976 7.245 -7.000 1.00 0.17 H new ATOM 0 HG3 MET A 109 25.392 8.260 -6.816 1.00 0.17 H new ATOM 0 HE1 MET A 109 24.656 4.901 -9.729 1.00 0.35 H new ATOM 0 HE2 MET A 109 24.124 4.703 -8.042 1.00 0.35 H new ATOM 0 HE3 MET A 109 23.580 6.109 -8.988 1.00 0.35 H new ATOM 1668 N THR A 110 26.857 6.853 -2.609 1.00 0.10 N ATOM 1669 CA THR A 110 27.268 6.175 -1.349 1.00 0.12 C ATOM 1670 C THR A 110 26.960 7.078 -0.138 1.00 0.14 C ATOM 1671 O THR A 110 26.458 6.621 0.870 1.00 0.15 O ATOM 1672 CB THR A 110 28.785 5.882 -1.448 1.00 0.12 C ATOM 1673 OG1 THR A 110 29.271 6.385 -2.677 1.00 0.04 O ATOM 1674 CG2 THR A 110 29.051 4.372 -1.392 1.00 0.19 C ATOM 0 H THR A 110 27.598 7.369 -3.083 1.00 0.10 H new ATOM 0 HA THR A 110 26.717 5.244 -1.213 1.00 0.12 H new ATOM 0 HB THR A 110 29.290 6.361 -0.609 1.00 0.12 H new ATOM 0 HG1 THR A 110 28.742 6.015 -3.414 1.00 0.04 H new ATOM 0 HG21 THR A 110 30.123 4.189 -1.463 1.00 0.19 H new ATOM 0 HG22 THR A 110 28.676 3.971 -0.450 1.00 0.19 H new ATOM 0 HG23 THR A 110 28.543 3.882 -2.223 1.00 0.19 H new ATOM 1682 N ASN A 111 27.279 8.343 -0.216 1.00 0.16 N ATOM 1683 CA ASN A 111 27.020 9.249 0.942 1.00 0.20 C ATOM 1684 C ASN A 111 25.521 9.319 1.225 1.00 0.19 C ATOM 1685 O ASN A 111 25.096 9.576 2.334 1.00 0.18 O ATOM 1686 CB ASN A 111 27.554 10.650 0.622 1.00 0.24 C ATOM 1687 CG ASN A 111 29.077 10.672 0.787 1.00 1.71 C ATOM 1688 OD1 ASN A 111 29.632 11.631 1.284 1.00 2.22 O ATOM 1689 ND2 ASN A 111 29.779 9.649 0.387 1.00 3.00 N ATOM 0 H ASN A 111 27.706 8.787 -1.029 1.00 0.16 H new ATOM 0 HA ASN A 111 27.528 8.859 1.824 1.00 0.20 H new ATOM 0 HB2 ASN A 111 27.285 10.928 -0.397 1.00 0.24 H new ATOM 0 HB3 ASN A 111 27.096 11.384 1.285 1.00 0.24 H new ATOM 0 HD21 ASN A 111 30.794 9.654 0.492 1.00 3.00 H new ATOM 0 HD22 ASN A 111 29.314 8.843 -0.031 1.00 3.00 H new ATOM 1696 N LEU A 112 24.721 9.105 0.229 1.00 0.21 N ATOM 1697 CA LEU A 112 23.244 9.172 0.432 1.00 0.21 C ATOM 1698 C LEU A 112 22.807 8.141 1.468 1.00 0.25 C ATOM 1699 O LEU A 112 21.816 8.298 2.150 1.00 0.28 O ATOM 1700 CB LEU A 112 22.528 8.917 -0.910 1.00 0.23 C ATOM 1701 CG LEU A 112 22.291 10.253 -1.645 1.00 0.20 C ATOM 1702 CD1 LEU A 112 21.753 9.980 -3.056 1.00 0.25 C ATOM 1703 CD2 LEU A 112 21.289 11.133 -0.861 1.00 0.24 C ATOM 0 H LEU A 112 25.020 8.886 -0.721 1.00 0.21 H new ATOM 0 HA LEU A 112 22.977 10.163 0.798 1.00 0.21 H new ATOM 0 HB2 LEU A 112 23.128 8.252 -1.531 1.00 0.23 H new ATOM 0 HB3 LEU A 112 21.576 8.416 -0.734 1.00 0.23 H new ATOM 0 HG LEU A 112 23.239 10.786 -1.716 1.00 0.20 H new ATOM 0 HD11 LEU A 112 21.587 10.926 -3.571 1.00 0.25 H new ATOM 0 HD12 LEU A 112 22.477 9.386 -3.613 1.00 0.25 H new ATOM 0 HD13 LEU A 112 20.812 9.434 -2.987 1.00 0.25 H new ATOM 0 HD21 LEU A 112 21.134 12.071 -1.394 1.00 0.24 H new ATOM 0 HD22 LEU A 112 20.339 10.607 -0.768 1.00 0.24 H new ATOM 0 HD23 LEU A 112 21.687 11.342 0.132 1.00 0.24 H new ATOM 1715 N GLY A 113 23.552 7.099 1.586 1.00 0.29 N ATOM 1716 CA GLY A 113 23.220 6.028 2.575 1.00 0.36 C ATOM 1717 C GLY A 113 22.313 4.985 1.922 1.00 0.24 C ATOM 1718 O GLY A 113 21.509 4.349 2.574 1.00 0.24 O ATOM 0 H GLY A 113 24.394 6.928 1.036 1.00 0.29 H new ATOM 0 HA2 GLY A 113 24.134 5.555 2.934 1.00 0.36 H new ATOM 0 HA3 GLY A 113 22.724 6.463 3.443 1.00 0.36 H new ATOM 1722 N GLU A 114 22.438 4.807 0.637 1.00 0.23 N ATOM 1723 CA GLU A 114 21.593 3.810 -0.071 1.00 0.27 C ATOM 1724 C GLU A 114 22.184 2.404 0.150 1.00 0.34 C ATOM 1725 O GLU A 114 23.382 2.252 0.287 1.00 0.43 O ATOM 1726 CB GLU A 114 21.595 4.153 -1.569 1.00 0.42 C ATOM 1727 CG GLU A 114 20.748 5.404 -1.804 1.00 0.33 C ATOM 1728 CD GLU A 114 19.269 5.063 -1.607 1.00 1.01 C ATOM 1729 OE1 GLU A 114 18.793 4.169 -2.286 1.00 1.93 O ATOM 1730 OE2 GLU A 114 18.639 5.700 -0.779 1.00 1.96 O ATOM 0 H GLU A 114 23.095 5.314 0.044 1.00 0.23 H new ATOM 0 HA GLU A 114 20.572 3.830 0.309 1.00 0.27 H new ATOM 0 HB2 GLU A 114 22.615 4.321 -1.914 1.00 0.42 H new ATOM 0 HB3 GLU A 114 21.197 3.318 -2.145 1.00 0.42 H new ATOM 0 HG2 GLU A 114 21.046 6.193 -1.113 1.00 0.33 H new ATOM 0 HG3 GLU A 114 20.913 5.784 -2.812 1.00 0.33 H new ATOM 1737 N LYS A 115 21.368 1.369 0.188 1.00 0.35 N ATOM 1738 CA LYS A 115 21.920 -0.001 0.400 1.00 0.42 C ATOM 1739 C LYS A 115 22.478 -0.503 -0.923 1.00 0.43 C ATOM 1740 O LYS A 115 22.300 -1.637 -1.317 1.00 0.48 O ATOM 1741 CB LYS A 115 20.808 -0.932 0.865 1.00 0.51 C ATOM 1742 CG LYS A 115 20.544 -0.727 2.360 1.00 0.60 C ATOM 1743 CD LYS A 115 19.297 -1.515 2.771 1.00 0.71 C ATOM 1744 CE LYS A 115 18.982 -1.243 4.243 1.00 0.77 C ATOM 1745 NZ LYS A 115 17.894 -2.158 4.695 1.00 1.67 N ATOM 0 H LYS A 115 20.355 1.420 0.082 1.00 0.35 H new ATOM 0 HA LYS A 115 22.705 0.024 1.156 1.00 0.42 H new ATOM 0 HB2 LYS A 115 19.898 -0.738 0.297 1.00 0.51 H new ATOM 0 HB3 LYS A 115 21.087 -1.968 0.675 1.00 0.51 H new ATOM 0 HG2 LYS A 115 21.405 -1.059 2.941 1.00 0.60 H new ATOM 0 HG3 LYS A 115 20.404 0.333 2.574 1.00 0.60 H new ATOM 0 HD2 LYS A 115 18.450 -1.227 2.148 1.00 0.71 H new ATOM 0 HD3 LYS A 115 19.460 -2.581 2.614 1.00 0.71 H new ATOM 0 HE2 LYS A 115 19.874 -1.393 4.851 1.00 0.77 H new ATOM 0 HE3 LYS A 115 18.677 -0.205 4.375 1.00 0.77 H new ATOM 0 HZ1 LYS A 115 17.679 -1.974 5.696 1.00 1.67 H new ATOM 0 HZ2 LYS A 115 17.042 -1.994 4.122 1.00 1.67 H new ATOM 0 HZ3 LYS A 115 18.202 -3.145 4.583 1.00 1.67 H new ATOM 1759 N LEU A 116 23.159 0.360 -1.591 1.00 0.42 N ATOM 1760 CA LEU A 116 23.778 0.011 -2.907 1.00 0.48 C ATOM 1761 C LEU A 116 25.159 -0.609 -2.666 1.00 0.50 C ATOM 1762 O LEU A 116 25.933 -0.150 -1.849 1.00 0.52 O ATOM 1763 CB LEU A 116 23.832 1.278 -3.817 1.00 0.49 C ATOM 1764 CG LEU A 116 25.246 1.858 -3.884 1.00 2.40 C ATOM 1765 CD1 LEU A 116 26.163 0.931 -4.723 1.00 3.28 C ATOM 1766 CD2 LEU A 116 25.180 3.258 -4.505 1.00 3.34 C ATOM 0 H LEU A 116 23.325 1.319 -1.285 1.00 0.42 H new ATOM 0 HA LEU A 116 23.175 -0.730 -3.432 1.00 0.48 H new ATOM 0 HB2 LEU A 116 23.495 1.021 -4.821 1.00 0.49 H new ATOM 0 HB3 LEU A 116 23.145 2.033 -3.433 1.00 0.49 H new ATOM 0 HG LEU A 116 25.664 1.929 -2.880 1.00 2.40 H new ATOM 0 HD11 LEU A 116 27.167 1.353 -4.764 1.00 3.28 H new ATOM 0 HD12 LEU A 116 26.203 -0.056 -4.262 1.00 3.28 H new ATOM 0 HD13 LEU A 116 25.765 0.843 -5.734 1.00 3.28 H new ATOM 0 HD21 LEU A 116 26.183 3.681 -4.557 1.00 3.34 H new ATOM 0 HD22 LEU A 116 24.762 3.191 -5.509 1.00 3.34 H new ATOM 0 HD23 LEU A 116 24.548 3.899 -3.891 1.00 3.34 H new ATOM 1778 N THR A 117 25.476 -1.636 -3.416 1.00 0.50 N ATOM 1779 CA THR A 117 26.813 -2.289 -3.306 1.00 0.51 C ATOM 1780 C THR A 117 27.627 -1.887 -4.534 1.00 0.43 C ATOM 1781 O THR A 117 27.095 -1.743 -5.617 1.00 0.40 O ATOM 1782 CB THR A 117 26.661 -3.809 -3.278 1.00 0.53 C ATOM 1783 OG1 THR A 117 26.011 -4.242 -4.465 1.00 0.52 O ATOM 1784 CG2 THR A 117 25.838 -4.220 -2.058 1.00 0.59 C ATOM 0 H THR A 117 24.855 -2.054 -4.109 1.00 0.50 H new ATOM 0 HA THR A 117 27.308 -1.975 -2.387 1.00 0.51 H new ATOM 0 HB THR A 117 27.646 -4.272 -3.217 1.00 0.53 H new ATOM 0 HG1 THR A 117 25.915 -5.217 -4.448 1.00 0.52 H new ATOM 0 HG21 THR A 117 25.731 -5.305 -2.040 1.00 0.59 H new ATOM 0 HG22 THR A 117 26.343 -3.890 -1.150 1.00 0.59 H new ATOM 0 HG23 THR A 117 24.852 -3.759 -2.112 1.00 0.59 H new ATOM 1792 N ASP A 118 28.899 -1.691 -4.379 1.00 0.45 N ATOM 1793 CA ASP A 118 29.734 -1.280 -5.544 1.00 0.43 C ATOM 1794 C ASP A 118 29.441 -2.188 -6.740 1.00 0.32 C ATOM 1795 O ASP A 118 29.721 -1.845 -7.869 1.00 0.40 O ATOM 1796 CB ASP A 118 31.214 -1.382 -5.171 1.00 0.54 C ATOM 1797 CG ASP A 118 31.482 -0.557 -3.913 1.00 0.58 C ATOM 1798 OD1 ASP A 118 30.672 0.302 -3.609 1.00 0.64 O ATOM 1799 OD2 ASP A 118 32.494 -0.797 -3.276 1.00 1.48 O ATOM 0 H ASP A 118 29.402 -1.796 -3.498 1.00 0.45 H new ATOM 0 HA ASP A 118 29.496 -0.250 -5.812 1.00 0.43 H new ATOM 0 HB2 ASP A 118 31.486 -2.424 -5.000 1.00 0.54 H new ATOM 0 HB3 ASP A 118 31.833 -1.022 -5.993 1.00 0.54 H new ATOM 1804 N GLU A 119 28.885 -3.344 -6.503 1.00 0.17 N ATOM 1805 CA GLU A 119 28.588 -4.270 -7.642 1.00 0.16 C ATOM 1806 C GLU A 119 27.371 -3.761 -8.422 1.00 0.19 C ATOM 1807 O GLU A 119 27.372 -3.731 -9.637 1.00 0.37 O ATOM 1808 CB GLU A 119 28.302 -5.691 -7.113 1.00 0.17 C ATOM 1809 CG GLU A 119 29.621 -6.421 -6.829 1.00 0.27 C ATOM 1810 CD GLU A 119 29.323 -7.790 -6.211 1.00 1.39 C ATOM 1811 OE1 GLU A 119 28.465 -8.482 -6.735 1.00 2.44 O ATOM 1812 OE2 GLU A 119 29.960 -8.124 -5.224 1.00 1.63 O ATOM 0 H GLU A 119 28.624 -3.689 -5.579 1.00 0.17 H new ATOM 0 HA GLU A 119 29.455 -4.303 -8.302 1.00 0.16 H new ATOM 0 HB2 GLU A 119 27.704 -5.636 -6.203 1.00 0.17 H new ATOM 0 HB3 GLU A 119 27.718 -6.249 -7.845 1.00 0.17 H new ATOM 0 HG2 GLU A 119 30.188 -6.542 -7.752 1.00 0.27 H new ATOM 0 HG3 GLU A 119 30.237 -5.830 -6.151 1.00 0.27 H new ATOM 1819 N GLU A 120 26.326 -3.371 -7.743 1.00 0.10 N ATOM 1820 CA GLU A 120 25.117 -2.880 -8.464 1.00 0.14 C ATOM 1821 C GLU A 120 25.475 -1.655 -9.307 1.00 0.14 C ATOM 1822 O GLU A 120 25.072 -1.540 -10.447 1.00 0.23 O ATOM 1823 CB GLU A 120 24.022 -2.515 -7.454 1.00 0.16 C ATOM 1824 CG GLU A 120 23.340 -3.791 -6.950 1.00 0.22 C ATOM 1825 CD GLU A 120 22.392 -3.445 -5.800 1.00 0.24 C ATOM 1826 OE1 GLU A 120 22.877 -3.005 -4.771 1.00 0.36 O ATOM 1827 OE2 GLU A 120 21.198 -3.627 -5.968 1.00 0.20 O ATOM 0 H GLU A 120 26.257 -3.371 -6.725 1.00 0.10 H new ATOM 0 HA GLU A 120 24.749 -3.668 -9.121 1.00 0.14 H new ATOM 0 HB2 GLU A 120 24.454 -1.967 -6.617 1.00 0.16 H new ATOM 0 HB3 GLU A 120 23.288 -1.858 -7.920 1.00 0.16 H new ATOM 0 HG2 GLU A 120 22.787 -4.265 -7.761 1.00 0.22 H new ATOM 0 HG3 GLU A 120 24.089 -4.508 -6.614 1.00 0.22 H new ATOM 1834 N VAL A 121 26.220 -0.737 -8.762 1.00 0.14 N ATOM 1835 CA VAL A 121 26.593 0.477 -9.545 1.00 0.23 C ATOM 1836 C VAL A 121 27.581 0.078 -10.647 1.00 0.12 C ATOM 1837 O VAL A 121 27.540 0.592 -11.747 1.00 0.15 O ATOM 1838 CB VAL A 121 27.208 1.528 -8.595 1.00 0.42 C ATOM 1839 CG1 VAL A 121 28.132 2.485 -9.362 1.00 0.23 C ATOM 1840 CG2 VAL A 121 26.081 2.350 -7.954 1.00 0.83 C ATOM 0 H VAL A 121 26.587 -0.772 -7.811 1.00 0.14 H new ATOM 0 HA VAL A 121 25.711 0.915 -10.013 1.00 0.23 H new ATOM 0 HB VAL A 121 27.787 1.006 -7.834 1.00 0.42 H new ATOM 0 HG11 VAL A 121 28.553 3.216 -8.671 1.00 0.23 H new ATOM 0 HG12 VAL A 121 28.939 1.918 -9.826 1.00 0.23 H new ATOM 0 HG13 VAL A 121 27.561 3.002 -10.134 1.00 0.23 H new ATOM 0 HG21 VAL A 121 26.510 3.094 -7.282 1.00 0.83 H new ATOM 0 HG22 VAL A 121 25.509 2.853 -8.734 1.00 0.83 H new ATOM 0 HG23 VAL A 121 25.423 1.688 -7.390 1.00 0.83 H new ATOM 1850 N ASP A 122 28.459 -0.834 -10.359 1.00 0.15 N ATOM 1851 CA ASP A 122 29.446 -1.266 -11.392 1.00 0.23 C ATOM 1852 C ASP A 122 28.704 -1.596 -12.696 1.00 0.21 C ATOM 1853 O ASP A 122 29.192 -1.339 -13.779 1.00 0.30 O ATOM 1854 CB ASP A 122 30.207 -2.504 -10.899 1.00 0.31 C ATOM 1855 CG ASP A 122 31.313 -2.078 -9.929 1.00 0.24 C ATOM 1856 OD1 ASP A 122 31.253 -0.960 -9.447 1.00 1.14 O ATOM 1857 OD2 ASP A 122 32.200 -2.881 -9.687 1.00 1.15 O ATOM 0 H ASP A 122 28.540 -1.302 -9.456 1.00 0.15 H new ATOM 0 HA ASP A 122 30.159 -0.461 -11.573 1.00 0.23 H new ATOM 0 HB2 ASP A 122 29.521 -3.191 -10.404 1.00 0.31 H new ATOM 0 HB3 ASP A 122 30.638 -3.039 -11.745 1.00 0.31 H new ATOM 1862 N GLU A 123 27.524 -2.152 -12.601 1.00 0.15 N ATOM 1863 CA GLU A 123 26.753 -2.481 -13.831 1.00 0.26 C ATOM 1864 C GLU A 123 26.242 -1.161 -14.423 1.00 0.32 C ATOM 1865 O GLU A 123 26.329 -0.911 -15.607 1.00 0.48 O ATOM 1866 CB GLU A 123 25.596 -3.450 -13.438 1.00 0.27 C ATOM 1867 CG GLU A 123 24.216 -2.953 -13.901 1.00 1.02 C ATOM 1868 CD GLU A 123 24.183 -2.846 -15.429 1.00 2.29 C ATOM 1869 OE1 GLU A 123 25.175 -3.194 -16.050 1.00 2.95 O ATOM 1870 OE2 GLU A 123 23.167 -2.419 -15.949 1.00 3.14 O ATOM 0 H GLU A 123 27.063 -2.392 -11.723 1.00 0.15 H new ATOM 0 HA GLU A 123 27.360 -2.982 -14.585 1.00 0.26 H new ATOM 0 HB2 GLU A 123 25.788 -4.431 -13.872 1.00 0.27 H new ATOM 0 HB3 GLU A 123 25.587 -3.576 -12.355 1.00 0.27 H new ATOM 0 HG2 GLU A 123 23.440 -3.638 -13.559 1.00 1.02 H new ATOM 0 HG3 GLU A 123 24.002 -1.982 -13.455 1.00 1.02 H new ATOM 1877 N MET A 124 25.727 -0.316 -13.587 1.00 0.23 N ATOM 1878 CA MET A 124 25.216 1.002 -14.051 1.00 0.27 C ATOM 1879 C MET A 124 26.352 1.766 -14.743 1.00 0.28 C ATOM 1880 O MET A 124 26.131 2.588 -15.609 1.00 0.31 O ATOM 1881 CB MET A 124 24.699 1.772 -12.846 1.00 0.25 C ATOM 1882 CG MET A 124 23.562 0.990 -12.169 1.00 0.26 C ATOM 1883 SD MET A 124 22.532 2.144 -11.212 1.00 0.59 S ATOM 1884 CE MET A 124 22.653 1.340 -9.591 1.00 0.79 C ATOM 0 H MET A 124 25.635 -0.481 -12.585 1.00 0.23 H new ATOM 0 HA MET A 124 24.403 0.872 -14.765 1.00 0.27 H new ATOM 0 HB2 MET A 124 25.509 1.939 -12.136 1.00 0.25 H new ATOM 0 HB3 MET A 124 24.341 2.753 -13.158 1.00 0.25 H new ATOM 0 HG2 MET A 124 22.958 0.480 -12.919 1.00 0.26 H new ATOM 0 HG3 MET A 124 23.972 0.221 -11.514 1.00 0.26 H new ATOM 0 HE1 MET A 124 21.883 1.737 -8.929 1.00 0.79 H new ATOM 0 HE2 MET A 124 22.513 0.265 -9.707 1.00 0.79 H new ATOM 0 HE3 MET A 124 23.636 1.534 -9.161 1.00 0.79 H new ATOM 1894 N ILE A 125 27.570 1.486 -14.365 1.00 0.26 N ATOM 1895 CA ILE A 125 28.746 2.169 -14.988 1.00 0.29 C ATOM 1896 C ILE A 125 29.076 1.525 -16.347 1.00 0.39 C ATOM 1897 O ILE A 125 29.657 2.149 -17.212 1.00 0.49 O ATOM 1898 CB ILE A 125 29.936 2.027 -14.026 1.00 0.25 C ATOM 1899 CG1 ILE A 125 29.714 2.977 -12.835 1.00 0.17 C ATOM 1900 CG2 ILE A 125 31.251 2.377 -14.739 1.00 0.37 C ATOM 1901 CD1 ILE A 125 30.815 2.794 -11.787 1.00 0.18 C ATOM 0 H ILE A 125 27.805 0.805 -13.643 1.00 0.26 H new ATOM 0 HA ILE A 125 28.526 3.222 -15.162 1.00 0.29 H new ATOM 0 HB ILE A 125 30.005 0.996 -13.678 1.00 0.25 H new ATOM 0 HG12 ILE A 125 29.704 4.010 -13.184 1.00 0.17 H new ATOM 0 HG13 ILE A 125 28.740 2.783 -12.385 1.00 0.17 H new ATOM 0 HG21 ILE A 125 32.082 2.271 -14.042 1.00 0.37 H new ATOM 0 HG22 ILE A 125 31.397 1.704 -15.584 1.00 0.37 H new ATOM 0 HG23 ILE A 125 31.208 3.405 -15.098 1.00 0.37 H new ATOM 0 HD11 ILE A 125 30.640 3.474 -10.953 1.00 0.18 H new ATOM 0 HD12 ILE A 125 30.805 1.766 -11.425 1.00 0.18 H new ATOM 0 HD13 ILE A 125 31.784 3.011 -12.236 1.00 0.18 H new ATOM 1913 N ARG A 126 28.734 0.278 -16.537 1.00 0.37 N ATOM 1914 CA ARG A 126 29.051 -0.403 -17.832 1.00 0.46 C ATOM 1915 C ARG A 126 28.375 0.322 -19.010 1.00 0.60 C ATOM 1916 O ARG A 126 29.029 0.724 -19.951 1.00 0.71 O ATOM 1917 CB ARG A 126 28.572 -1.869 -17.781 1.00 0.39 C ATOM 1918 CG ARG A 126 29.632 -2.755 -17.099 1.00 0.55 C ATOM 1919 CD ARG A 126 30.901 -2.864 -17.975 1.00 1.73 C ATOM 1920 NE ARG A 126 31.393 -4.280 -17.979 1.00 1.86 N ATOM 1921 CZ ARG A 126 31.507 -4.961 -16.868 1.00 1.21 C ATOM 1922 NH1 ARG A 126 31.337 -4.379 -15.712 1.00 1.21 N ATOM 1923 NH2 ARG A 126 31.835 -6.223 -16.916 1.00 1.59 N ATOM 0 H ARG A 126 28.248 -0.301 -15.852 1.00 0.37 H new ATOM 0 HA ARG A 126 30.130 -0.376 -17.981 1.00 0.46 H new ATOM 0 HB2 ARG A 126 27.630 -1.932 -17.236 1.00 0.39 H new ATOM 0 HB3 ARG A 126 28.381 -2.231 -18.791 1.00 0.39 H new ATOM 0 HG2 ARG A 126 29.891 -2.337 -16.126 1.00 0.55 H new ATOM 0 HG3 ARG A 126 29.222 -3.749 -16.920 1.00 0.55 H new ATOM 0 HD2 ARG A 126 30.680 -2.543 -18.993 1.00 1.73 H new ATOM 0 HD3 ARG A 126 31.677 -2.201 -17.592 1.00 1.73 H new ATOM 0 HE ARG A 126 31.643 -4.721 -18.864 1.00 1.86 H new ATOM 0 HH11 ARG A 126 31.113 -3.385 -15.670 1.00 1.21 H new ATOM 0 HH12 ARG A 126 31.428 -4.918 -14.851 1.00 1.21 H new ATOM 0 HH21 ARG A 126 32.001 -6.673 -17.816 1.00 1.59 H new ATOM 0 HH22 ARG A 126 31.926 -6.760 -16.053 1.00 1.59 H new ATOM 1937 N GLU A 127 27.075 0.470 -18.986 1.00 0.63 N ATOM 1938 CA GLU A 127 26.385 1.141 -20.136 1.00 0.78 C ATOM 1939 C GLU A 127 26.517 2.671 -20.039 1.00 0.71 C ATOM 1940 O GLU A 127 26.303 3.375 -21.005 1.00 0.74 O ATOM 1941 CB GLU A 127 24.900 0.749 -20.140 1.00 0.89 C ATOM 1942 CG GLU A 127 24.741 -0.661 -20.723 1.00 1.01 C ATOM 1943 CD GLU A 127 23.278 -1.094 -20.631 1.00 0.55 C ATOM 1944 OE1 GLU A 127 22.439 -0.404 -21.193 1.00 1.08 O ATOM 1945 OE2 GLU A 127 23.019 -2.103 -20.000 1.00 1.10 O ATOM 0 H GLU A 127 26.464 0.160 -18.230 1.00 0.63 H new ATOM 0 HA GLU A 127 26.857 0.814 -21.063 1.00 0.78 H new ATOM 0 HB2 GLU A 127 24.502 0.781 -19.126 1.00 0.89 H new ATOM 0 HB3 GLU A 127 24.326 1.464 -20.730 1.00 0.89 H new ATOM 0 HG2 GLU A 127 25.070 -0.675 -21.762 1.00 1.01 H new ATOM 0 HG3 GLU A 127 25.373 -1.363 -20.179 1.00 1.01 H new ATOM 1952 N ALA A 128 26.909 3.192 -18.907 1.00 0.61 N ATOM 1953 CA ALA A 128 27.098 4.656 -18.780 1.00 0.54 C ATOM 1954 C ALA A 128 28.538 4.943 -19.142 1.00 0.51 C ATOM 1955 O ALA A 128 29.367 5.075 -18.276 1.00 0.46 O ATOM 1956 CB ALA A 128 26.864 5.120 -17.351 1.00 0.46 C ATOM 0 H ALA A 128 27.107 2.657 -18.061 1.00 0.61 H new ATOM 0 HA ALA A 128 26.392 5.175 -19.427 1.00 0.54 H new ATOM 0 HB1 ALA A 128 27.010 6.198 -17.290 1.00 0.46 H new ATOM 0 HB2 ALA A 128 25.845 4.874 -17.051 1.00 0.46 H new ATOM 0 HB3 ALA A 128 27.569 4.620 -16.686 1.00 0.46 H new ATOM 1962 N ASP A 129 28.825 4.991 -20.403 1.00 0.58 N ATOM 1963 CA ASP A 129 30.242 5.230 -20.882 1.00 0.62 C ATOM 1964 C ASP A 129 30.914 6.264 -19.972 1.00 0.56 C ATOM 1965 O ASP A 129 30.951 7.447 -20.246 1.00 0.59 O ATOM 1966 CB ASP A 129 30.248 5.753 -22.330 1.00 0.75 C ATOM 1967 CG ASP A 129 31.673 6.135 -22.731 1.00 2.70 C ATOM 1968 OD1 ASP A 129 32.575 5.368 -22.442 1.00 3.65 O ATOM 1969 OD2 ASP A 129 31.839 7.189 -23.321 1.00 3.52 O ATOM 0 H ASP A 129 28.140 4.875 -21.150 1.00 0.58 H new ATOM 0 HA ASP A 129 30.786 4.286 -20.848 1.00 0.62 H new ATOM 0 HB2 ASP A 129 29.862 4.989 -23.005 1.00 0.75 H new ATOM 0 HB3 ASP A 129 29.590 6.618 -22.418 1.00 0.75 H new ATOM 1974 N ILE A 130 31.389 5.790 -18.856 1.00 0.49 N ATOM 1975 CA ILE A 130 32.016 6.665 -17.831 1.00 0.48 C ATOM 1976 C ILE A 130 33.473 6.975 -18.174 1.00 0.56 C ATOM 1977 O ILE A 130 34.162 7.688 -17.471 1.00 0.67 O ATOM 1978 CB ILE A 130 31.902 5.894 -16.496 1.00 0.46 C ATOM 1979 CG1 ILE A 130 30.454 6.060 -15.879 1.00 0.45 C ATOM 1980 CG2 ILE A 130 33.013 6.322 -15.532 1.00 0.56 C ATOM 1981 CD1 ILE A 130 30.493 6.415 -14.379 1.00 0.58 C ATOM 0 H ILE A 130 31.367 4.801 -18.606 1.00 0.49 H new ATOM 0 HA ILE A 130 31.516 7.632 -17.776 1.00 0.48 H new ATOM 0 HB ILE A 130 32.042 4.829 -16.683 1.00 0.46 H new ATOM 0 HG12 ILE A 130 29.918 6.840 -16.421 1.00 0.45 H new ATOM 0 HG13 ILE A 130 29.895 5.134 -16.016 1.00 0.45 H new ATOM 0 HG21 ILE A 130 32.917 5.769 -14.598 1.00 0.56 H new ATOM 0 HG22 ILE A 130 33.984 6.112 -15.980 1.00 0.56 H new ATOM 0 HG23 ILE A 130 32.929 7.390 -15.332 1.00 0.56 H new ATOM 0 HD11 ILE A 130 29.475 6.518 -14.003 1.00 0.58 H new ATOM 0 HD12 ILE A 130 31.004 5.623 -13.831 1.00 0.58 H new ATOM 0 HD13 ILE A 130 31.028 7.355 -14.241 1.00 0.58 H new ATOM 2024 N GLY A 134 35.638 11.449 -19.239 1.00 0.33 N ATOM 2025 CA GLY A 134 36.121 11.650 -17.841 1.00 0.45 C ATOM 2026 C GLY A 134 34.966 12.128 -16.963 1.00 0.31 C ATOM 2027 O GLY A 134 34.958 11.922 -15.765 1.00 0.30 O ATOM 0 HA2 GLY A 134 36.528 10.718 -17.449 1.00 0.45 H new ATOM 0 HA3 GLY A 134 36.929 12.381 -17.826 1.00 0.45 H new ATOM 2031 N GLN A 135 33.989 12.757 -17.559 1.00 0.31 N ATOM 2032 CA GLN A 135 32.802 13.255 -16.792 1.00 0.29 C ATOM 2033 C GLN A 135 31.552 12.554 -17.327 1.00 0.51 C ATOM 2034 O GLN A 135 31.597 11.914 -18.359 1.00 0.90 O ATOM 2035 CB GLN A 135 32.667 14.771 -16.987 1.00 0.39 C ATOM 2036 CG GLN A 135 34.033 15.445 -16.793 1.00 0.17 C ATOM 2037 CD GLN A 135 33.842 16.932 -16.478 1.00 0.30 C ATOM 2038 OE1 GLN A 135 32.970 17.295 -15.714 1.00 0.83 O ATOM 2039 NE2 GLN A 135 34.627 17.810 -17.040 1.00 0.65 N ATOM 0 H GLN A 135 33.960 12.951 -18.560 1.00 0.31 H new ATOM 0 HA GLN A 135 32.923 13.043 -15.730 1.00 0.29 H new ATOM 0 HB2 GLN A 135 32.284 14.986 -17.985 1.00 0.39 H new ATOM 0 HB3 GLN A 135 31.947 15.176 -16.275 1.00 0.39 H new ATOM 0 HG2 GLN A 135 34.576 14.960 -15.982 1.00 0.17 H new ATOM 0 HG3 GLN A 135 34.636 15.330 -17.694 1.00 0.17 H new ATOM 0 HE21 GLN A 135 35.359 17.503 -17.681 1.00 0.65 H new ATOM 0 HE22 GLN A 135 34.509 18.803 -16.838 1.00 0.65 H new ATOM 2048 N VAL A 136 30.438 12.650 -16.640 1.00 0.34 N ATOM 2049 CA VAL A 136 29.205 11.966 -17.125 1.00 0.52 C ATOM 2050 C VAL A 136 27.984 12.831 -16.805 1.00 0.68 C ATOM 2051 O VAL A 136 27.957 13.557 -15.820 1.00 0.73 O ATOM 2052 CB VAL A 136 29.074 10.626 -16.393 1.00 0.37 C ATOM 2053 CG1 VAL A 136 28.171 9.649 -17.162 1.00 0.65 C ATOM 2054 CG2 VAL A 136 30.458 10.004 -16.230 1.00 0.48 C ATOM 0 H VAL A 136 30.333 13.171 -15.769 1.00 0.34 H new ATOM 0 HA VAL A 136 29.265 11.807 -18.202 1.00 0.52 H new ATOM 0 HB VAL A 136 28.622 10.815 -15.419 1.00 0.37 H new ATOM 0 HG11 VAL A 136 28.101 8.710 -16.614 1.00 0.65 H new ATOM 0 HG12 VAL A 136 27.176 10.081 -17.270 1.00 0.65 H new ATOM 0 HG13 VAL A 136 28.594 9.462 -18.149 1.00 0.65 H new ATOM 0 HG21 VAL A 136 30.369 9.050 -15.710 1.00 0.48 H new ATOM 0 HG22 VAL A 136 30.902 9.842 -17.212 1.00 0.48 H new ATOM 0 HG23 VAL A 136 31.093 10.675 -15.652 1.00 0.48 H new ATOM 2064 N ASN A 137 26.971 12.738 -17.618 1.00 0.97 N ATOM 2065 CA ASN A 137 25.749 13.501 -17.378 1.00 1.25 C ATOM 2066 C ASN A 137 24.936 12.786 -16.307 1.00 0.98 C ATOM 2067 O ASN A 137 24.024 12.036 -16.593 1.00 1.34 O ATOM 2068 CB ASN A 137 24.958 13.563 -18.674 1.00 1.68 C ATOM 2069 CG ASN A 137 25.006 12.201 -19.370 1.00 3.11 C ATOM 2070 OD1 ASN A 137 25.062 11.176 -18.719 1.00 3.41 O ATOM 2071 ND2 ASN A 137 24.992 12.145 -20.674 1.00 4.29 N ATOM 0 H ASN A 137 26.952 12.150 -18.451 1.00 0.97 H new ATOM 0 HA ASN A 137 25.980 14.512 -17.044 1.00 1.25 H new ATOM 0 HB2 ASN A 137 23.924 13.841 -18.468 1.00 1.68 H new ATOM 0 HB3 ASN A 137 25.371 14.331 -19.328 1.00 1.68 H new ATOM 0 HD21 ASN A 137 25.028 11.242 -21.146 1.00 4.29 H new ATOM 0 HD22 ASN A 137 24.945 13.005 -21.221 1.00 4.29 H new ATOM 2078 N TYR A 138 25.279 13.013 -15.082 1.00 1.14 N ATOM 2079 CA TYR A 138 24.568 12.370 -13.948 1.00 0.96 C ATOM 2080 C TYR A 138 23.049 12.288 -14.183 1.00 0.82 C ATOM 2081 O TYR A 138 22.367 11.510 -13.548 1.00 0.68 O ATOM 2082 CB TYR A 138 24.828 13.216 -12.698 1.00 1.23 C ATOM 2083 CG TYR A 138 23.992 14.498 -12.704 1.00 0.76 C ATOM 2084 CD1 TYR A 138 23.713 15.210 -13.889 1.00 1.93 C ATOM 2085 CD2 TYR A 138 23.506 14.981 -11.493 1.00 0.74 C ATOM 2086 CE1 TYR A 138 22.960 16.376 -13.849 1.00 1.79 C ATOM 2087 CE2 TYR A 138 22.747 16.161 -11.449 1.00 1.13 C ATOM 2088 CZ TYR A 138 22.474 16.858 -12.631 1.00 0.88 C ATOM 2089 OH TYR A 138 21.729 18.018 -12.591 1.00 1.35 O ATOM 0 H TYR A 138 26.041 13.632 -14.807 1.00 1.14 H new ATOM 0 HA TYR A 138 24.938 11.351 -13.838 1.00 0.96 H new ATOM 0 HB2 TYR A 138 24.595 12.632 -11.807 1.00 1.23 H new ATOM 0 HB3 TYR A 138 25.886 13.471 -12.644 1.00 1.23 H new ATOM 0 HD1 TYR A 138 24.088 14.846 -14.834 1.00 1.93 H new ATOM 0 HD2 TYR A 138 23.714 14.444 -10.580 1.00 0.74 H new ATOM 0 HE1 TYR A 138 22.749 16.912 -14.763 1.00 1.79 H new ATOM 0 HE2 TYR A 138 22.375 16.530 -10.505 1.00 1.13 H new ATOM 0 HH TYR A 138 21.832 18.502 -13.437 1.00 1.35 H new ATOM 2099 N GLU A 139 22.503 13.075 -15.067 1.00 0.97 N ATOM 2100 CA GLU A 139 21.028 13.020 -15.287 1.00 0.86 C ATOM 2101 C GLU A 139 20.609 11.584 -15.633 1.00 0.65 C ATOM 2102 O GLU A 139 19.605 11.093 -15.152 1.00 0.64 O ATOM 2103 CB GLU A 139 20.632 13.995 -16.425 1.00 0.85 C ATOM 2104 CG GLU A 139 19.356 14.753 -16.049 1.00 0.60 C ATOM 2105 CD GLU A 139 18.209 13.761 -15.856 1.00 1.52 C ATOM 2106 OE1 GLU A 139 18.242 13.029 -14.879 1.00 3.05 O ATOM 2107 OE2 GLU A 139 17.318 13.744 -16.687 1.00 1.61 O ATOM 0 H GLU A 139 23.007 13.749 -15.643 1.00 0.97 H new ATOM 0 HA GLU A 139 20.512 13.322 -14.376 1.00 0.86 H new ATOM 0 HB2 GLU A 139 21.442 14.700 -16.608 1.00 0.85 H new ATOM 0 HB3 GLU A 139 20.476 13.441 -17.351 1.00 0.85 H new ATOM 0 HG2 GLU A 139 19.516 15.323 -15.133 1.00 0.60 H new ATOM 0 HG3 GLU A 139 19.103 15.470 -16.830 1.00 0.60 H new ATOM 2114 N GLU A 140 21.356 10.907 -16.458 1.00 0.52 N ATOM 2115 CA GLU A 140 20.980 9.512 -16.816 1.00 0.31 C ATOM 2116 C GLU A 140 21.191 8.605 -15.602 1.00 0.29 C ATOM 2117 O GLU A 140 20.408 7.712 -15.336 1.00 0.24 O ATOM 2118 CB GLU A 140 21.847 9.024 -17.979 1.00 0.29 C ATOM 2119 CG GLU A 140 21.252 7.736 -18.552 1.00 1.46 C ATOM 2120 CD GLU A 140 22.116 7.247 -19.716 1.00 1.79 C ATOM 2121 OE1 GLU A 140 22.927 8.023 -20.192 1.00 1.62 O ATOM 2122 OE2 GLU A 140 21.950 6.105 -20.112 1.00 2.72 O ATOM 0 H GLU A 140 22.207 11.257 -16.898 1.00 0.52 H new ATOM 0 HA GLU A 140 19.932 9.484 -17.116 1.00 0.31 H new ATOM 0 HB2 GLU A 140 21.900 9.789 -18.754 1.00 0.29 H new ATOM 0 HB3 GLU A 140 22.867 8.846 -17.637 1.00 0.29 H new ATOM 0 HG2 GLU A 140 21.200 6.971 -17.777 1.00 1.46 H new ATOM 0 HG3 GLU A 140 20.232 7.914 -18.892 1.00 1.46 H new ATOM 2129 N PHE A 141 22.242 8.826 -14.861 1.00 0.36 N ATOM 2130 CA PHE A 141 22.496 7.974 -13.665 1.00 0.32 C ATOM 2131 C PHE A 141 21.388 8.219 -12.624 1.00 0.35 C ATOM 2132 O PHE A 141 20.978 7.319 -11.918 1.00 0.35 O ATOM 2133 CB PHE A 141 23.886 8.315 -13.062 1.00 0.33 C ATOM 2134 CG PHE A 141 24.835 7.141 -13.210 1.00 0.28 C ATOM 2135 CD1 PHE A 141 24.680 6.028 -12.380 1.00 0.17 C ATOM 2136 CD2 PHE A 141 25.865 7.167 -14.161 1.00 0.37 C ATOM 2137 CE1 PHE A 141 25.547 4.945 -12.499 1.00 0.17 C ATOM 2138 CE2 PHE A 141 26.735 6.072 -14.273 1.00 0.32 C ATOM 2139 CZ PHE A 141 26.573 4.968 -13.445 1.00 0.23 C ATOM 0 H PHE A 141 22.933 9.557 -15.031 1.00 0.36 H new ATOM 0 HA PHE A 141 22.490 6.923 -13.954 1.00 0.32 H new ATOM 0 HB2 PHE A 141 24.301 9.190 -13.562 1.00 0.33 H new ATOM 0 HB3 PHE A 141 23.778 8.572 -12.008 1.00 0.33 H new ATOM 0 HD1 PHE A 141 23.888 6.008 -11.646 1.00 0.17 H new ATOM 0 HD2 PHE A 141 25.988 8.026 -14.804 1.00 0.37 H new ATOM 0 HE1 PHE A 141 25.425 4.085 -11.857 1.00 0.17 H new ATOM 0 HE2 PHE A 141 27.531 6.087 -15.003 1.00 0.32 H new ATOM 0 HZ PHE A 141 27.243 4.125 -13.534 1.00 0.23 H new ATOM 2149 N VAL A 142 20.908 9.430 -12.523 1.00 0.52 N ATOM 2150 CA VAL A 142 19.834 9.727 -11.526 1.00 0.58 C ATOM 2151 C VAL A 142 18.595 8.875 -11.846 1.00 0.60 C ATOM 2152 O VAL A 142 17.902 8.415 -10.961 1.00 0.70 O ATOM 2153 CB VAL A 142 19.474 11.217 -11.602 1.00 0.75 C ATOM 2154 CG1 VAL A 142 18.187 11.490 -10.815 1.00 0.81 C ATOM 2155 CG2 VAL A 142 20.614 12.045 -10.999 1.00 0.69 C ATOM 0 H VAL A 142 21.211 10.225 -13.085 1.00 0.52 H new ATOM 0 HA VAL A 142 20.184 9.490 -10.521 1.00 0.58 H new ATOM 0 HB VAL A 142 19.322 11.493 -12.646 1.00 0.75 H new ATOM 0 HG11 VAL A 142 17.941 12.550 -10.876 1.00 0.81 H new ATOM 0 HG12 VAL A 142 17.371 10.904 -11.237 1.00 0.81 H new ATOM 0 HG13 VAL A 142 18.332 11.211 -9.771 1.00 0.81 H new ATOM 0 HG21 VAL A 142 20.362 13.104 -11.051 1.00 0.69 H new ATOM 0 HG22 VAL A 142 20.761 11.758 -9.958 1.00 0.69 H new ATOM 0 HG23 VAL A 142 21.532 11.863 -11.558 1.00 0.69 H new ATOM 2165 N GLN A 143 18.312 8.674 -13.106 1.00 0.62 N ATOM 2166 CA GLN A 143 17.115 7.864 -13.488 1.00 0.63 C ATOM 2167 C GLN A 143 17.397 6.374 -13.274 1.00 0.51 C ATOM 2168 O GLN A 143 16.491 5.570 -13.178 1.00 0.58 O ATOM 2169 CB GLN A 143 16.798 8.103 -14.967 1.00 0.68 C ATOM 2170 CG GLN A 143 16.554 9.595 -15.214 1.00 1.04 C ATOM 2171 CD GLN A 143 16.648 9.890 -16.714 1.00 1.83 C ATOM 2172 OE1 GLN A 143 17.461 9.313 -17.409 1.00 2.82 O ATOM 2173 NE2 GLN A 143 15.845 10.769 -17.244 1.00 1.64 N ATOM 0 H GLN A 143 18.858 9.035 -13.888 1.00 0.62 H new ATOM 0 HA GLN A 143 16.270 8.163 -12.868 1.00 0.63 H new ATOM 0 HB2 GLN A 143 17.624 7.753 -15.586 1.00 0.68 H new ATOM 0 HB3 GLN A 143 15.918 7.529 -15.257 1.00 0.68 H new ATOM 0 HG2 GLN A 143 15.571 9.880 -14.838 1.00 1.04 H new ATOM 0 HG3 GLN A 143 17.288 10.189 -14.670 1.00 1.04 H new ATOM 0 HE21 GLN A 143 15.163 11.253 -16.661 1.00 1.64 H new ATOM 0 HE22 GLN A 143 15.899 10.973 -18.242 1.00 1.64 H new ATOM 2182 N MET A 144 18.644 5.999 -13.213 1.00 0.38 N ATOM 2183 CA MET A 144 18.985 4.559 -13.023 1.00 0.29 C ATOM 2184 C MET A 144 18.745 4.149 -11.565 1.00 0.29 C ATOM 2185 O MET A 144 18.251 3.073 -11.289 1.00 0.36 O ATOM 2186 CB MET A 144 20.466 4.325 -13.386 1.00 0.22 C ATOM 2187 CG MET A 144 20.620 4.138 -14.901 1.00 0.27 C ATOM 2188 SD MET A 144 22.334 3.685 -15.272 1.00 0.63 S ATOM 2189 CE MET A 144 22.243 3.892 -17.068 1.00 0.51 C ATOM 0 H MET A 144 19.444 6.627 -13.286 1.00 0.38 H new ATOM 0 HA MET A 144 18.350 3.956 -13.672 1.00 0.29 H new ATOM 0 HB2 MET A 144 21.067 5.172 -13.054 1.00 0.22 H new ATOM 0 HB3 MET A 144 20.841 3.444 -12.864 1.00 0.22 H new ATOM 0 HG2 MET A 144 19.941 3.362 -15.255 1.00 0.27 H new ATOM 0 HG3 MET A 144 20.353 5.057 -15.422 1.00 0.27 H new ATOM 0 HE1 MET A 144 23.076 3.369 -17.537 1.00 0.51 H new ATOM 0 HE2 MET A 144 21.303 3.480 -17.435 1.00 0.51 H new ATOM 0 HE3 MET A 144 22.295 4.952 -17.315 1.00 0.51 H new ATOM 2199 N MET A 145 19.092 4.986 -10.630 1.00 0.26 N ATOM 2200 CA MET A 145 18.883 4.626 -9.199 1.00 0.30 C ATOM 2201 C MET A 145 17.385 4.493 -8.925 1.00 0.41 C ATOM 2202 O MET A 145 16.971 3.870 -7.969 1.00 0.50 O ATOM 2203 CB MET A 145 19.478 5.721 -8.301 1.00 0.29 C ATOM 2204 CG MET A 145 21.029 5.725 -8.396 1.00 0.24 C ATOM 2205 SD MET A 145 21.762 5.474 -6.753 1.00 0.28 S ATOM 2206 CE MET A 145 21.372 7.094 -6.041 1.00 0.39 C ATOM 0 H MET A 145 19.510 5.902 -10.792 1.00 0.26 H new ATOM 0 HA MET A 145 19.377 3.678 -8.985 1.00 0.30 H new ATOM 0 HB2 MET A 145 19.088 6.694 -8.598 1.00 0.29 H new ATOM 0 HB3 MET A 145 19.172 5.557 -7.268 1.00 0.29 H new ATOM 0 HG2 MET A 145 21.361 4.938 -9.074 1.00 0.24 H new ATOM 0 HG3 MET A 145 21.372 6.671 -8.814 1.00 0.24 H new ATOM 0 HE1 MET A 145 22.216 7.442 -5.445 1.00 0.39 H new ATOM 0 HE2 MET A 145 21.176 7.806 -6.843 1.00 0.39 H new ATOM 0 HE3 MET A 145 20.490 7.010 -5.407 1.00 0.39 H new ATOM 2216 N THR A 146 16.572 5.076 -9.763 1.00 0.44 N ATOM 2217 CA THR A 146 15.112 4.997 -9.573 1.00 0.58 C ATOM 2218 C THR A 146 14.611 3.657 -10.110 1.00 0.54 C ATOM 2219 O THR A 146 14.271 2.758 -9.367 1.00 0.27 O ATOM 2220 CB THR A 146 14.491 6.168 -10.360 1.00 0.68 C ATOM 2221 OG1 THR A 146 15.487 6.731 -11.200 1.00 0.61 O ATOM 2222 CG2 THR A 146 13.980 7.251 -9.403 1.00 0.78 C ATOM 0 H THR A 146 16.870 5.609 -10.580 1.00 0.44 H new ATOM 0 HA THR A 146 14.836 5.065 -8.521 1.00 0.58 H new ATOM 0 HB THR A 146 13.654 5.795 -10.950 1.00 0.68 H new ATOM 0 HG1 THR A 146 15.476 6.279 -12.069 1.00 0.61 H new ATOM 0 HG21 THR A 146 13.545 8.069 -9.978 1.00 0.78 H new ATOM 0 HG22 THR A 146 13.222 6.827 -8.745 1.00 0.78 H new ATOM 0 HG23 THR A 146 14.809 7.629 -8.805 1.00 0.78 H new