USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 855 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 104 SER OG : rot 176:sc= 1.2 USER MOD Set 1.2: A 111 GLN : amide:sc= 1.78 K(o=3,f=0.34!) USER MOD Set 1.3: A 113 TYR OH : rot -28:sc= 0.0347 USER MOD Set 2.1: A 80 HIS : no HD1:sc= -0.546 K(o=-0.023,f=-8.7!) USER MOD Set 2.2: A 129 HIS : no HD1:sc= -0.77 K(o=-0.023,f=-4.4) USER MOD Set 2.3: A 145 SER OG : rot 93:sc= 1.29 USER MOD Single : A 44 GLN : amide:sc= 0.637 K(o=0.64,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0185) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 173:sc= 1.2 (180deg=1.09) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0085 K(o=-0.0085,f=-1.1) USER MOD Single : A 66 GLN : amide:sc= -3.1! C(o=-3.1!,f=-7.2!) USER MOD Single : A 67 CYS SG : rot 180:sc= 0.168 USER MOD Single : A 70 SER OG : rot -100:sc= -0.416 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 75 GLN : amide:sc= -0.247 K(o=-0.25,f=-0.85) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.12 K(o=-0.12,f=-3.9!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 175:sc= 0.593 USER MOD Single : A 105 ASN : amide:sc= 0.0426 X(o=0.043,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.4!) USER MOD Single : A 122 CYS SG : rot 180:sc= -0.432 USER MOD Single : A 127 GLN : amide:sc= 1.03 K(o=1,f=-0.093) USER MOD Single : A 128 MET CE :methyl 174:sc= -1.08 (180deg=-1.17) USER MOD Single : A 130 GLN : amide:sc= 0.48 X(o=0.48,f=0) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 171:sc= 1.14 (180deg=1.07) USER MOD Single : A 144 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 42 -1.148 -4.788 -17.315 1.00 1.29 N ATOM 129 CA ALA A 42 -1.654 -3.583 -16.647 1.00 1.11 C ATOM 130 C ALA A 42 -3.173 -3.655 -16.376 1.00 0.96 C ATOM 131 O ALA A 42 -3.620 -3.303 -15.286 1.00 0.86 O ATOM 132 CB ALA A 42 -1.263 -2.353 -17.468 1.00 1.34 C ATOM 0 HA ALA A 42 -1.192 -3.506 -15.663 1.00 1.11 H new ATOM 0 HB1 ALA A 42 -1.636 -1.454 -16.977 1.00 1.34 H new ATOM 0 HB2 ALA A 42 -0.177 -2.299 -17.548 1.00 1.34 H new ATOM 0 HB3 ALA A 42 -1.697 -2.428 -18.465 1.00 1.34 H new ATOM 138 N GLU A 43 -3.953 -4.230 -17.299 1.00 1.00 N ATOM 139 CA GLU A 43 -5.395 -4.469 -17.115 1.00 0.89 C ATOM 140 C GLU A 43 -5.725 -5.474 -15.987 1.00 0.66 C ATOM 141 O GLU A 43 -6.808 -5.410 -15.402 1.00 0.58 O ATOM 142 CB GLU A 43 -6.031 -4.887 -18.455 1.00 1.06 C ATOM 143 CG GLU A 43 -5.588 -6.258 -18.991 1.00 1.21 C ATOM 144 CD GLU A 43 -6.254 -6.563 -20.339 1.00 1.97 C ATOM 145 OE1 GLU A 43 -7.435 -6.983 -20.345 1.00 3.19 O ATOM 146 OE2 GLU A 43 -5.613 -6.406 -21.412 1.00 2.35 O ATOM 0 H GLU A 43 -3.601 -4.546 -18.203 1.00 1.00 H new ATOM 0 HA GLU A 43 -5.833 -3.527 -16.786 1.00 0.89 H new ATOM 0 HB2 GLU A 43 -7.115 -4.894 -18.338 1.00 1.06 H new ATOM 0 HB3 GLU A 43 -5.796 -4.129 -19.202 1.00 1.06 H new ATOM 0 HG2 GLU A 43 -4.504 -6.275 -19.105 1.00 1.21 H new ATOM 0 HG3 GLU A 43 -5.845 -7.034 -18.270 1.00 1.21 H new ATOM 153 N GLN A 44 -4.787 -6.364 -15.637 1.00 0.66 N ATOM 154 CA GLN A 44 -4.885 -7.290 -14.498 1.00 0.59 C ATOM 155 C GLN A 44 -4.454 -6.592 -13.209 1.00 0.47 C ATOM 156 O GLN A 44 -5.134 -6.722 -12.195 1.00 0.43 O ATOM 157 CB GLN A 44 -3.999 -8.512 -14.786 1.00 0.77 C ATOM 158 CG GLN A 44 -3.496 -9.364 -13.607 1.00 0.78 C ATOM 159 CD GLN A 44 -4.542 -10.222 -12.897 1.00 0.95 C ATOM 160 OE1 GLN A 44 -4.515 -11.447 -12.958 1.00 1.45 O ATOM 161 NE2 GLN A 44 -5.449 -9.623 -12.158 1.00 0.81 N ATOM 0 H GLN A 44 -3.913 -6.463 -16.153 1.00 0.66 H new ATOM 0 HA GLN A 44 -5.917 -7.615 -14.366 1.00 0.59 H new ATOM 0 HB2 GLN A 44 -4.554 -9.170 -15.454 1.00 0.77 H new ATOM 0 HB3 GLN A 44 -3.125 -8.162 -15.336 1.00 0.77 H new ATOM 0 HG2 GLN A 44 -2.706 -10.020 -13.972 1.00 0.78 H new ATOM 0 HG3 GLN A 44 -3.044 -8.698 -12.872 1.00 0.78 H new ATOM 0 HE21 GLN A 44 -5.473 -8.605 -12.106 1.00 0.81 H new ATOM 0 HE22 GLN A 44 -6.129 -10.177 -11.637 1.00 0.81 H new ATOM 170 N LEU A 45 -3.344 -5.851 -13.236 1.00 0.46 N ATOM 171 CA LEU A 45 -2.843 -5.072 -12.107 1.00 0.38 C ATOM 172 C LEU A 45 -3.856 -4.017 -11.634 1.00 0.33 C ATOM 173 O LEU A 45 -3.983 -3.772 -10.435 1.00 0.28 O ATOM 174 CB LEU A 45 -1.535 -4.414 -12.548 1.00 0.45 C ATOM 175 CG LEU A 45 -0.263 -5.272 -12.391 1.00 0.52 C ATOM 176 CD1 LEU A 45 0.295 -5.137 -10.971 1.00 0.39 C ATOM 177 CD2 LEU A 45 -0.408 -6.770 -12.686 1.00 0.81 C ATOM 0 H LEU A 45 -2.756 -5.776 -14.066 1.00 0.46 H new ATOM 0 HA LEU A 45 -2.677 -5.731 -11.255 1.00 0.38 H new ATOM 0 HB2 LEU A 45 -1.630 -4.128 -13.595 1.00 0.45 H new ATOM 0 HB3 LEU A 45 -1.403 -3.495 -11.977 1.00 0.45 H new ATOM 0 HG LEU A 45 0.405 -4.872 -13.153 1.00 0.52 H new ATOM 0 HD11 LEU A 45 1.193 -5.747 -10.873 1.00 0.39 H new ATOM 0 HD12 LEU A 45 0.543 -4.094 -10.775 1.00 0.39 H new ATOM 0 HD13 LEU A 45 -0.453 -5.474 -10.253 1.00 0.39 H new ATOM 0 HD21 LEU A 45 0.553 -7.264 -12.541 1.00 0.81 H new ATOM 0 HD22 LEU A 45 -1.145 -7.204 -12.011 1.00 0.81 H new ATOM 0 HD23 LEU A 45 -0.735 -6.908 -13.717 1.00 0.81 H new ATOM 189 N ASP A 46 -4.645 -3.467 -12.558 1.00 0.41 N ATOM 190 CA ASP A 46 -5.730 -2.535 -12.217 1.00 0.43 C ATOM 191 C ASP A 46 -6.875 -3.260 -11.481 1.00 0.38 C ATOM 192 O ASP A 46 -7.387 -2.804 -10.457 1.00 0.41 O ATOM 193 CB ASP A 46 -6.227 -1.835 -13.487 1.00 0.58 C ATOM 194 CG ASP A 46 -7.038 -0.577 -13.165 1.00 1.01 C ATOM 195 OD1 ASP A 46 -6.466 0.392 -12.609 1.00 2.57 O ATOM 196 OD2 ASP A 46 -8.242 -0.533 -13.518 1.00 1.61 O ATOM 0 H ASP A 46 -4.554 -3.651 -13.557 1.00 0.41 H new ATOM 0 HA ASP A 46 -5.345 -1.777 -11.534 1.00 0.43 H new ATOM 0 HB2 ASP A 46 -5.375 -1.567 -14.111 1.00 0.58 H new ATOM 0 HB3 ASP A 46 -6.842 -2.525 -14.065 1.00 0.58 H new ATOM 201 N ALA A 47 -7.197 -4.474 -11.935 1.00 0.36 N ATOM 202 CA ALA A 47 -8.219 -5.308 -11.308 1.00 0.39 C ATOM 203 C ALA A 47 -7.744 -5.780 -9.931 1.00 0.41 C ATOM 204 O ALA A 47 -8.565 -5.986 -9.041 1.00 0.53 O ATOM 205 CB ALA A 47 -8.534 -6.499 -12.223 1.00 0.42 C ATOM 0 H ALA A 47 -6.755 -4.904 -12.748 1.00 0.36 H new ATOM 0 HA ALA A 47 -9.130 -4.727 -11.165 1.00 0.39 H new ATOM 0 HB1 ALA A 47 -9.297 -7.124 -11.758 1.00 0.42 H new ATOM 0 HB2 ALA A 47 -8.900 -6.134 -13.183 1.00 0.42 H new ATOM 0 HB3 ALA A 47 -7.630 -7.087 -12.379 1.00 0.42 H new ATOM 211 N LEU A 48 -6.422 -5.891 -9.763 1.00 0.36 N ATOM 212 CA LEU A 48 -5.726 -6.240 -8.534 1.00 0.40 C ATOM 213 C LEU A 48 -5.760 -5.113 -7.488 1.00 0.41 C ATOM 214 O LEU A 48 -6.143 -5.372 -6.351 1.00 0.53 O ATOM 215 CB LEU A 48 -4.288 -6.620 -8.921 1.00 0.36 C ATOM 216 CG LEU A 48 -3.962 -8.116 -8.850 1.00 0.53 C ATOM 217 CD1 LEU A 48 -2.755 -8.434 -9.728 1.00 0.53 C ATOM 218 CD2 LEU A 48 -3.633 -8.529 -7.437 1.00 0.95 C ATOM 0 H LEU A 48 -5.775 -5.728 -10.534 1.00 0.36 H new ATOM 0 HA LEU A 48 -6.229 -7.079 -8.053 1.00 0.40 H new ATOM 0 HB2 LEU A 48 -4.099 -6.272 -9.937 1.00 0.36 H new ATOM 0 HB3 LEU A 48 -3.600 -6.084 -8.267 1.00 0.36 H new ATOM 0 HG LEU A 48 -4.840 -8.661 -9.197 1.00 0.53 H new ATOM 0 HD11 LEU A 48 -2.533 -9.500 -9.669 1.00 0.53 H new ATOM 0 HD12 LEU A 48 -2.976 -8.166 -10.761 1.00 0.53 H new ATOM 0 HD13 LEU A 48 -1.893 -7.864 -9.381 1.00 0.53 H new ATOM 0 HD21 LEU A 48 -3.405 -9.595 -7.413 1.00 0.95 H new ATOM 0 HD22 LEU A 48 -2.769 -7.965 -7.085 1.00 0.95 H new ATOM 0 HD23 LEU A 48 -4.487 -8.326 -6.790 1.00 0.95 H new ATOM 230 N VAL A 49 -5.464 -3.853 -7.843 1.00 0.35 N ATOM 231 CA VAL A 49 -5.724 -2.724 -6.917 1.00 0.42 C ATOM 232 C VAL A 49 -7.212 -2.552 -6.621 1.00 0.46 C ATOM 233 O VAL A 49 -7.568 -2.033 -5.567 1.00 0.55 O ATOM 234 CB VAL A 49 -5.142 -1.374 -7.378 1.00 0.43 C ATOM 235 CG1 VAL A 49 -3.631 -1.369 -7.447 1.00 0.42 C ATOM 236 CG2 VAL A 49 -5.628 -0.909 -8.748 1.00 0.42 C ATOM 0 H VAL A 49 -5.055 -3.587 -8.739 1.00 0.35 H new ATOM 0 HA VAL A 49 -5.198 -3.008 -6.006 1.00 0.42 H new ATOM 0 HB VAL A 49 -5.504 -0.694 -6.607 1.00 0.43 H new ATOM 0 HG11 VAL A 49 -3.285 -0.390 -7.778 1.00 0.42 H new ATOM 0 HG12 VAL A 49 -3.221 -1.584 -6.460 1.00 0.42 H new ATOM 0 HG13 VAL A 49 -3.296 -2.129 -8.153 1.00 0.42 H new ATOM 0 HG21 VAL A 49 -5.168 0.049 -8.992 1.00 0.42 H new ATOM 0 HG22 VAL A 49 -5.352 -1.646 -9.502 1.00 0.42 H new ATOM 0 HG23 VAL A 49 -6.712 -0.797 -8.731 1.00 0.42 H new ATOM 246 N LYS A 50 -8.084 -3.031 -7.512 1.00 0.45 N ATOM 247 CA LYS A 50 -9.529 -3.097 -7.329 1.00 0.48 C ATOM 248 C LYS A 50 -10.045 -4.349 -6.601 1.00 0.50 C ATOM 249 O LYS A 50 -11.259 -4.498 -6.473 1.00 0.63 O ATOM 250 CB LYS A 50 -10.105 -2.887 -8.729 1.00 0.58 C ATOM 251 CG LYS A 50 -9.868 -1.446 -9.214 1.00 1.51 C ATOM 252 CD LYS A 50 -10.599 -0.346 -8.432 1.00 0.84 C ATOM 253 CE LYS A 50 -12.120 -0.569 -8.356 1.00 1.48 C ATOM 254 NZ LYS A 50 -12.738 -0.740 -9.700 1.00 2.93 N ATOM 0 H LYS A 50 -7.786 -3.397 -8.416 1.00 0.45 H new ATOM 0 HA LYS A 50 -9.869 -2.327 -6.636 1.00 0.48 H new ATOM 0 HB2 LYS A 50 -9.644 -3.589 -9.424 1.00 0.58 H new ATOM 0 HB3 LYS A 50 -11.174 -3.101 -8.722 1.00 0.58 H new ATOM 0 HG2 LYS A 50 -8.798 -1.242 -9.176 1.00 1.51 H new ATOM 0 HG3 LYS A 50 -10.168 -1.381 -10.260 1.00 1.51 H new ATOM 0 HD2 LYS A 50 -10.194 -0.297 -7.421 1.00 0.84 H new ATOM 0 HD3 LYS A 50 -10.402 0.618 -8.902 1.00 0.84 H new ATOM 0 HE2 LYS A 50 -12.325 -1.452 -7.750 1.00 1.48 H new ATOM 0 HE3 LYS A 50 -12.584 0.279 -7.851 1.00 1.48 H new ATOM 0 HZ1 LYS A 50 -13.773 -0.785 -9.603 1.00 2.93 H new ATOM 0 HZ2 LYS A 50 -12.482 0.066 -10.305 1.00 2.93 H new ATOM 0 HZ3 LYS A 50 -12.392 -1.621 -10.132 1.00 2.93 H new ATOM 268 N LYS A 51 -9.165 -5.218 -6.078 1.00 0.46 N ATOM 269 CA LYS A 51 -9.534 -6.338 -5.198 1.00 0.49 C ATOM 270 C LYS A 51 -10.103 -5.847 -3.865 1.00 0.64 C ATOM 271 O LYS A 51 -11.196 -6.251 -3.466 1.00 1.08 O ATOM 272 CB LYS A 51 -8.317 -7.232 -4.909 1.00 0.56 C ATOM 273 CG LYS A 51 -7.832 -8.275 -5.936 1.00 1.00 C ATOM 274 CD LYS A 51 -8.781 -8.691 -7.066 1.00 1.05 C ATOM 275 CE LYS A 51 -8.025 -9.531 -8.103 1.00 0.81 C ATOM 276 NZ LYS A 51 -8.930 -10.119 -9.115 1.00 1.88 N ATOM 0 H LYS A 51 -8.163 -5.161 -6.257 1.00 0.46 H new ATOM 0 HA LYS A 51 -10.299 -6.909 -5.724 1.00 0.49 H new ATOM 0 HB2 LYS A 51 -7.476 -6.569 -4.707 1.00 0.56 H new ATOM 0 HB3 LYS A 51 -8.529 -7.770 -3.985 1.00 0.56 H new ATOM 0 HG2 LYS A 51 -6.921 -7.889 -6.394 1.00 1.00 H new ATOM 0 HG3 LYS A 51 -7.556 -9.176 -5.388 1.00 1.00 H new ATOM 0 HD2 LYS A 51 -9.615 -9.264 -6.660 1.00 1.05 H new ATOM 0 HD3 LYS A 51 -9.204 -7.806 -7.541 1.00 1.05 H new ATOM 0 HE2 LYS A 51 -7.282 -8.908 -8.601 1.00 0.81 H new ATOM 0 HE3 LYS A 51 -7.483 -10.329 -7.596 1.00 0.81 H new ATOM 0 HZ1 LYS A 51 -8.375 -10.678 -9.794 1.00 1.88 H new ATOM 0 HZ2 LYS A 51 -9.623 -10.735 -8.645 1.00 1.88 H new ATOM 0 HZ3 LYS A 51 -9.429 -9.358 -9.619 1.00 1.88 H new ATOM 290 N ASP A 52 -9.360 -4.996 -3.162 1.00 0.41 N ATOM 291 CA ASP A 52 -9.693 -4.513 -1.816 1.00 0.39 C ATOM 292 C ASP A 52 -9.734 -2.985 -1.799 1.00 0.36 C ATOM 293 O ASP A 52 -9.378 -2.326 -2.778 1.00 0.36 O ATOM 294 CB ASP A 52 -8.692 -5.061 -0.778 1.00 0.40 C ATOM 295 CG ASP A 52 -9.374 -5.511 0.512 1.00 0.53 C ATOM 296 OD1 ASP A 52 -10.176 -4.708 1.021 1.00 1.42 O ATOM 297 OD2 ASP A 52 -9.140 -6.638 1.013 1.00 1.80 O ATOM 0 H ASP A 52 -8.486 -4.610 -3.518 1.00 0.41 H new ATOM 0 HA ASP A 52 -10.683 -4.881 -1.545 1.00 0.39 H new ATOM 0 HB2 ASP A 52 -8.149 -5.902 -1.210 1.00 0.40 H new ATOM 0 HB3 ASP A 52 -7.956 -4.291 -0.546 1.00 0.40 H new ATOM 302 N LYS A 53 -10.126 -2.403 -0.666 1.00 0.39 N ATOM 303 CA LYS A 53 -10.113 -0.941 -0.501 1.00 0.39 C ATOM 304 C LYS A 53 -8.757 -0.394 -0.069 1.00 0.33 C ATOM 305 O LYS A 53 -8.495 0.794 -0.253 1.00 0.35 O ATOM 306 CB LYS A 53 -11.254 -0.479 0.407 1.00 0.46 C ATOM 307 CG LYS A 53 -11.055 -0.680 1.912 1.00 1.23 C ATOM 308 CD LYS A 53 -10.996 -2.082 2.506 1.00 0.65 C ATOM 309 CE LYS A 53 -12.280 -2.828 2.143 1.00 1.12 C ATOM 310 NZ LYS A 53 -12.276 -4.208 2.667 1.00 1.35 N ATOM 0 H LYS A 53 -10.456 -2.915 0.152 1.00 0.39 H new ATOM 0 HA LYS A 53 -10.287 -0.512 -1.488 1.00 0.39 H new ATOM 0 HB2 LYS A 53 -11.427 0.582 0.225 1.00 0.46 H new ATOM 0 HB3 LYS A 53 -12.161 -1.005 0.110 1.00 0.46 H new ATOM 0 HG2 LYS A 53 -10.127 -0.177 2.183 1.00 1.23 H new ATOM 0 HG3 LYS A 53 -11.864 -0.151 2.416 1.00 1.23 H new ATOM 0 HD2 LYS A 53 -10.128 -2.618 2.122 1.00 0.65 H new ATOM 0 HD3 LYS A 53 -10.885 -2.028 3.589 1.00 0.65 H new ATOM 0 HE2 LYS A 53 -13.139 -2.289 2.543 1.00 1.12 H new ATOM 0 HE3 LYS A 53 -12.394 -2.851 1.059 1.00 1.12 H new ATOM 0 HZ1 LYS A 53 -13.207 -4.643 2.505 1.00 1.35 H new ATOM 0 HZ2 LYS A 53 -11.545 -4.763 2.178 1.00 1.35 H new ATOM 0 HZ3 LYS A 53 -12.074 -4.191 3.687 1.00 1.35 H new ATOM 324 N VAL A 54 -7.902 -1.261 0.480 1.00 0.31 N ATOM 325 CA VAL A 54 -6.544 -0.946 0.929 1.00 0.33 C ATOM 326 C VAL A 54 -5.713 -2.098 0.427 1.00 0.38 C ATOM 327 O VAL A 54 -5.774 -3.211 0.951 1.00 0.58 O ATOM 328 CB VAL A 54 -6.384 -0.805 2.461 1.00 0.32 C ATOM 329 CG1 VAL A 54 -5.377 0.280 2.814 1.00 0.38 C ATOM 330 CG2 VAL A 54 -7.684 -0.477 3.167 1.00 0.38 C ATOM 0 H VAL A 54 -8.147 -2.240 0.630 1.00 0.31 H new ATOM 0 HA VAL A 54 -6.245 0.029 0.544 1.00 0.33 H new ATOM 0 HB VAL A 54 -6.035 -1.780 2.801 1.00 0.32 H new ATOM 0 HG11 VAL A 54 -5.287 0.354 3.898 1.00 0.38 H new ATOM 0 HG12 VAL A 54 -4.407 0.029 2.386 1.00 0.38 H new ATOM 0 HG13 VAL A 54 -5.715 1.235 2.412 1.00 0.38 H new ATOM 0 HG21 VAL A 54 -7.504 -0.391 4.239 1.00 0.38 H new ATOM 0 HG22 VAL A 54 -8.076 0.467 2.788 1.00 0.38 H new ATOM 0 HG23 VAL A 54 -8.408 -1.270 2.983 1.00 0.38 H new ATOM 340 N VAL A 55 -5.002 -1.853 -0.657 1.00 0.31 N ATOM 341 CA VAL A 55 -4.194 -2.906 -1.267 1.00 0.29 C ATOM 342 C VAL A 55 -2.734 -2.521 -1.149 1.00 0.25 C ATOM 343 O VAL A 55 -2.295 -1.521 -1.713 1.00 0.25 O ATOM 344 CB VAL A 55 -4.652 -3.237 -2.700 1.00 0.30 C ATOM 345 CG1 VAL A 55 -4.165 -4.644 -2.994 1.00 0.88 C ATOM 346 CG2 VAL A 55 -6.168 -3.383 -2.859 1.00 0.93 C ATOM 0 H VAL A 55 -4.963 -0.951 -1.132 1.00 0.31 H new ATOM 0 HA VAL A 55 -4.334 -3.844 -0.730 1.00 0.29 H new ATOM 0 HB VAL A 55 -4.281 -2.430 -3.332 1.00 0.30 H new ATOM 0 HG11 VAL A 55 -4.465 -4.929 -4.002 1.00 0.88 H new ATOM 0 HG12 VAL A 55 -3.078 -4.677 -2.915 1.00 0.88 H new ATOM 0 HG13 VAL A 55 -4.602 -5.338 -2.276 1.00 0.88 H new ATOM 0 HG21 VAL A 55 -6.404 -3.616 -3.897 1.00 0.93 H new ATOM 0 HG22 VAL A 55 -6.525 -4.188 -2.216 1.00 0.93 H new ATOM 0 HG23 VAL A 55 -6.655 -2.450 -2.577 1.00 0.93 H new ATOM 356 N VAL A 56 -1.994 -3.310 -0.372 1.00 0.25 N ATOM 357 CA VAL A 56 -0.605 -3.039 0.011 1.00 0.23 C ATOM 358 C VAL A 56 0.306 -3.976 -0.748 1.00 0.23 C ATOM 359 O VAL A 56 -0.111 -5.049 -1.162 1.00 0.30 O ATOM 360 CB VAL A 56 -0.425 -3.134 1.535 1.00 0.24 C ATOM 361 CG1 VAL A 56 0.942 -2.718 2.031 1.00 0.27 C ATOM 362 CG2 VAL A 56 -1.335 -2.117 2.209 1.00 0.26 C ATOM 0 H VAL A 56 -2.352 -4.181 0.021 1.00 0.25 H new ATOM 0 HA VAL A 56 -0.337 -2.017 -0.258 1.00 0.23 H new ATOM 0 HB VAL A 56 -0.622 -4.181 1.765 1.00 0.24 H new ATOM 0 HG11 VAL A 56 0.981 -2.816 3.116 1.00 0.27 H new ATOM 0 HG12 VAL A 56 1.702 -3.357 1.581 1.00 0.27 H new ATOM 0 HG13 VAL A 56 1.130 -1.681 1.754 1.00 0.27 H new ATOM 0 HG21 VAL A 56 -1.212 -2.179 3.290 1.00 0.26 H new ATOM 0 HG22 VAL A 56 -1.073 -1.114 1.871 1.00 0.26 H new ATOM 0 HG23 VAL A 56 -2.372 -2.328 1.949 1.00 0.26 H new ATOM 372 N PHE A 57 1.536 -3.555 -0.977 1.00 0.21 N ATOM 373 CA PHE A 57 2.378 -4.107 -2.026 1.00 0.22 C ATOM 374 C PHE A 57 3.823 -4.076 -1.567 1.00 0.24 C ATOM 375 O PHE A 57 4.422 -3.000 -1.523 1.00 0.27 O ATOM 376 CB PHE A 57 2.223 -3.164 -3.216 1.00 0.25 C ATOM 377 CG PHE A 57 1.011 -3.422 -4.072 1.00 0.29 C ATOM 378 CD1 PHE A 57 1.029 -4.431 -5.051 1.00 1.61 C ATOM 379 CD2 PHE A 57 -0.132 -2.635 -3.886 1.00 1.79 C ATOM 380 CE1 PHE A 57 -0.105 -4.650 -5.853 1.00 1.60 C ATOM 381 CE2 PHE A 57 -1.279 -2.874 -4.666 1.00 1.83 C ATOM 382 CZ PHE A 57 -1.265 -3.875 -5.657 1.00 0.39 C ATOM 0 H PHE A 57 1.984 -2.815 -0.437 1.00 0.21 H new ATOM 0 HA PHE A 57 2.104 -5.133 -2.272 1.00 0.22 H new ATOM 0 HB2 PHE A 57 2.178 -2.140 -2.846 1.00 0.25 H new ATOM 0 HB3 PHE A 57 3.114 -3.239 -3.840 1.00 0.25 H new ATOM 0 HD1 PHE A 57 1.913 -5.037 -5.187 1.00 1.61 H new ATOM 0 HD2 PHE A 57 -0.134 -1.848 -3.147 1.00 1.79 H new ATOM 0 HE1 PHE A 57 -0.087 -5.412 -6.619 1.00 1.60 H new ATOM 0 HE2 PHE A 57 -2.172 -2.289 -4.504 1.00 1.83 H new ATOM 0 HZ PHE A 57 -2.141 -4.048 -6.265 1.00 0.39 H new ATOM 392 N LEU A 58 4.393 -5.218 -1.188 1.00 0.27 N ATOM 393 CA LEU A 58 5.751 -5.259 -0.689 1.00 0.25 C ATOM 394 C LEU A 58 6.457 -6.586 -1.032 1.00 0.27 C ATOM 395 O LEU A 58 5.818 -7.619 -1.263 1.00 0.30 O ATOM 396 CB LEU A 58 5.744 -4.829 0.798 1.00 0.24 C ATOM 397 CG LEU A 58 4.443 -4.870 1.642 1.00 0.27 C ATOM 398 CD1 LEU A 58 3.981 -6.242 2.122 1.00 0.31 C ATOM 399 CD2 LEU A 58 4.687 -3.974 2.847 1.00 0.38 C ATOM 0 H LEU A 58 3.928 -6.125 -1.220 1.00 0.27 H new ATOM 0 HA LEU A 58 6.384 -4.535 -1.202 1.00 0.25 H new ATOM 0 HB2 LEU A 58 6.476 -5.451 1.312 1.00 0.24 H new ATOM 0 HB3 LEU A 58 6.114 -3.805 0.834 1.00 0.24 H new ATOM 0 HG LEU A 58 3.635 -4.540 0.989 1.00 0.27 H new ATOM 0 HD11 LEU A 58 3.063 -6.135 2.700 1.00 0.31 H new ATOM 0 HD12 LEU A 58 3.796 -6.885 1.262 1.00 0.31 H new ATOM 0 HD13 LEU A 58 4.754 -6.688 2.748 1.00 0.31 H new ATOM 0 HD21 LEU A 58 3.799 -3.965 3.479 1.00 0.38 H new ATOM 0 HD22 LEU A 58 5.535 -4.354 3.417 1.00 0.38 H new ATOM 0 HD23 LEU A 58 4.902 -2.960 2.509 1.00 0.38 H new ATOM 411 N LYS A 59 7.791 -6.571 -1.134 1.00 0.29 N ATOM 412 CA LYS A 59 8.622 -7.758 -1.395 1.00 0.34 C ATOM 413 C LYS A 59 8.847 -8.520 -0.085 1.00 0.38 C ATOM 414 O LYS A 59 9.970 -8.692 0.371 1.00 0.45 O ATOM 415 CB LYS A 59 9.913 -7.315 -2.120 1.00 0.44 C ATOM 416 CG LYS A 59 10.678 -6.099 -1.532 1.00 0.56 C ATOM 417 CD LYS A 59 12.026 -6.393 -0.858 1.00 1.03 C ATOM 418 CE LYS A 59 12.966 -7.123 -1.816 1.00 1.65 C ATOM 419 NZ LYS A 59 14.379 -7.002 -1.387 1.00 2.29 N ATOM 0 H LYS A 59 8.338 -5.715 -1.036 1.00 0.29 H new ATOM 0 HA LYS A 59 8.127 -8.464 -2.062 1.00 0.34 H new ATOM 0 HB2 LYS A 59 10.596 -8.164 -2.142 1.00 0.44 H new ATOM 0 HB3 LYS A 59 9.657 -7.085 -3.154 1.00 0.44 H new ATOM 0 HG2 LYS A 59 10.849 -5.383 -2.336 1.00 0.56 H new ATOM 0 HG3 LYS A 59 10.032 -5.611 -0.802 1.00 0.56 H new ATOM 0 HD2 LYS A 59 12.485 -5.460 -0.532 1.00 1.03 H new ATOM 0 HD3 LYS A 59 11.867 -6.999 0.034 1.00 1.03 H new ATOM 0 HE2 LYS A 59 12.689 -8.176 -1.867 1.00 1.65 H new ATOM 0 HE3 LYS A 59 12.853 -6.714 -2.820 1.00 1.65 H new ATOM 0 HZ1 LYS A 59 14.990 -7.509 -2.059 1.00 2.29 H new ATOM 0 HZ2 LYS A 59 14.649 -5.998 -1.362 1.00 2.29 H new ATOM 0 HZ3 LYS A 59 14.490 -7.414 -0.439 1.00 2.29 H new ATOM 433 N GLY A 60 7.739 -9.001 0.481 1.00 0.38 N ATOM 434 CA GLY A 60 7.648 -9.382 1.890 1.00 0.41 C ATOM 435 C GLY A 60 6.205 -9.513 2.384 1.00 0.47 C ATOM 436 O GLY A 60 5.258 -9.452 1.601 1.00 0.74 O ATOM 0 H GLY A 60 6.869 -9.138 -0.033 1.00 0.38 H new ATOM 0 HA2 GLY A 60 8.164 -10.331 2.038 1.00 0.41 H new ATOM 0 HA3 GLY A 60 8.167 -8.639 2.496 1.00 0.41 H new ATOM 440 N THR A 61 6.029 -9.671 3.691 1.00 0.40 N ATOM 441 CA THR A 61 4.709 -9.713 4.368 1.00 0.41 C ATOM 442 C THR A 61 4.674 -8.745 5.559 1.00 0.39 C ATOM 443 O THR A 61 5.724 -8.259 5.987 1.00 0.42 O ATOM 444 CB THR A 61 4.340 -11.142 4.824 1.00 0.56 C ATOM 445 OG1 THR A 61 5.232 -11.603 5.814 1.00 0.71 O ATOM 446 CG2 THR A 61 4.322 -12.141 3.669 1.00 0.65 C ATOM 0 H THR A 61 6.811 -9.777 4.338 1.00 0.40 H new ATOM 0 HA THR A 61 3.964 -9.397 3.638 1.00 0.41 H new ATOM 0 HB THR A 61 3.332 -11.076 5.234 1.00 0.56 H new ATOM 0 HG1 THR A 61 4.977 -12.509 6.088 1.00 0.71 H new ATOM 0 HG21 THR A 61 4.057 -13.129 4.046 1.00 0.65 H new ATOM 0 HG22 THR A 61 3.588 -11.827 2.927 1.00 0.65 H new ATOM 0 HG23 THR A 61 5.309 -12.182 3.208 1.00 0.65 H new ATOM 454 N PRO A 62 3.494 -8.418 6.124 1.00 0.38 N ATOM 455 CA PRO A 62 3.407 -7.486 7.252 1.00 0.42 C ATOM 456 C PRO A 62 4.023 -8.063 8.533 1.00 0.57 C ATOM 457 O PRO A 62 4.683 -7.352 9.291 1.00 0.84 O ATOM 458 CB PRO A 62 1.911 -7.199 7.443 1.00 0.46 C ATOM 459 CG PRO A 62 1.252 -7.698 6.166 1.00 1.13 C ATOM 460 CD PRO A 62 2.164 -8.817 5.695 1.00 0.43 C ATOM 0 HA PRO A 62 3.972 -6.578 7.043 1.00 0.42 H new ATOM 0 HB2 PRO A 62 1.518 -7.716 8.319 1.00 0.46 H new ATOM 0 HB3 PRO A 62 1.729 -6.135 7.592 1.00 0.46 H new ATOM 0 HG2 PRO A 62 0.241 -8.059 6.354 1.00 1.13 H new ATOM 0 HG3 PRO A 62 1.174 -6.906 5.421 1.00 1.13 H new ATOM 0 HD2 PRO A 62 1.877 -9.772 6.134 1.00 0.43 H new ATOM 0 HD3 PRO A 62 2.117 -8.937 4.613 1.00 0.43 H new ATOM 468 N GLU A 63 3.830 -9.365 8.749 1.00 0.66 N ATOM 469 CA GLU A 63 4.209 -10.096 9.966 1.00 0.90 C ATOM 470 C GLU A 63 5.729 -10.320 10.123 1.00 0.96 C ATOM 471 O GLU A 63 6.205 -10.451 11.255 1.00 1.13 O ATOM 472 CB GLU A 63 3.393 -11.407 10.048 1.00 1.06 C ATOM 473 CG GLU A 63 3.430 -12.272 8.777 1.00 1.58 C ATOM 474 CD GLU A 63 2.610 -13.565 8.908 1.00 2.45 C ATOM 475 OE1 GLU A 63 1.367 -13.516 9.105 1.00 3.44 O ATOM 476 OE2 GLU A 63 3.205 -14.660 8.784 1.00 3.22 O ATOM 0 H GLU A 63 3.387 -9.967 8.054 1.00 0.66 H new ATOM 0 HA GLU A 63 3.957 -9.468 10.820 1.00 0.90 H new ATOM 0 HB2 GLU A 63 3.766 -11.999 10.884 1.00 1.06 H new ATOM 0 HB3 GLU A 63 2.355 -11.159 10.271 1.00 1.06 H new ATOM 0 HG2 GLU A 63 3.050 -11.691 7.937 1.00 1.58 H new ATOM 0 HG3 GLU A 63 4.465 -12.526 8.547 1.00 1.58 H new ATOM 483 N GLN A 64 6.504 -10.290 9.031 1.00 0.91 N ATOM 484 CA GLN A 64 7.961 -10.397 9.038 1.00 0.98 C ATOM 485 C GLN A 64 8.628 -9.287 8.196 1.00 1.05 C ATOM 486 O GLN A 64 8.322 -9.191 7.003 1.00 1.10 O ATOM 487 CB GLN A 64 8.367 -11.734 8.438 1.00 1.04 C ATOM 488 CG GLN A 64 7.919 -13.010 9.160 1.00 1.10 C ATOM 489 CD GLN A 64 8.488 -14.244 8.462 1.00 1.48 C ATOM 490 OE1 GLN A 64 9.548 -14.206 7.843 1.00 2.15 O ATOM 491 NE2 GLN A 64 7.820 -15.370 8.524 1.00 2.08 N ATOM 0 H GLN A 64 6.119 -10.187 8.092 1.00 0.91 H new ATOM 0 HA GLN A 64 8.288 -10.301 10.073 1.00 0.98 H new ATOM 0 HB2 GLN A 64 7.982 -11.774 7.419 1.00 1.04 H new ATOM 0 HB3 GLN A 64 9.455 -11.753 8.369 1.00 1.04 H new ATOM 0 HG2 GLN A 64 8.253 -12.985 10.197 1.00 1.10 H new ATOM 0 HG3 GLN A 64 6.830 -13.063 9.176 1.00 1.10 H new ATOM 0 HE21 GLN A 64 6.939 -15.413 9.035 1.00 2.08 H new ATOM 0 HE22 GLN A 64 8.182 -16.204 8.061 1.00 2.08 H new ATOM 500 N PRO A 65 9.597 -8.515 8.725 1.00 1.25 N ATOM 501 CA PRO A 65 10.349 -7.536 7.942 1.00 1.32 C ATOM 502 C PRO A 65 11.311 -8.227 6.968 1.00 1.16 C ATOM 503 O PRO A 65 12.450 -8.574 7.294 1.00 1.41 O ATOM 504 CB PRO A 65 11.043 -6.636 8.969 1.00 1.64 C ATOM 505 CG PRO A 65 11.260 -7.567 10.162 1.00 1.84 C ATOM 506 CD PRO A 65 10.032 -8.477 10.114 1.00 1.54 C ATOM 0 HA PRO A 65 9.709 -6.934 7.297 1.00 1.32 H new ATOM 0 HB2 PRO A 65 11.986 -6.244 8.588 1.00 1.64 H new ATOM 0 HB3 PRO A 65 10.425 -5.778 9.235 1.00 1.64 H new ATOM 0 HG2 PRO A 65 12.186 -8.134 10.069 1.00 1.84 H new ATOM 0 HG3 PRO A 65 11.317 -7.015 11.100 1.00 1.84 H new ATOM 0 HD2 PRO A 65 10.277 -9.477 10.471 1.00 1.54 H new ATOM 0 HD3 PRO A 65 9.240 -8.094 10.758 1.00 1.54 H new ATOM 514 N GLN A 66 10.830 -8.403 5.739 1.00 0.88 N ATOM 515 CA GLN A 66 11.590 -8.675 4.509 1.00 0.63 C ATOM 516 C GLN A 66 12.936 -7.923 4.451 1.00 0.74 C ATOM 517 O GLN A 66 13.985 -8.521 4.226 1.00 0.88 O ATOM 518 CB GLN A 66 10.725 -8.242 3.312 1.00 0.50 C ATOM 519 CG GLN A 66 9.923 -6.948 3.554 1.00 1.21 C ATOM 520 CD GLN A 66 9.663 -6.076 2.334 1.00 0.74 C ATOM 521 OE1 GLN A 66 8.693 -6.233 1.622 1.00 1.67 O ATOM 522 NE2 GLN A 66 10.408 -5.014 2.135 1.00 0.92 N ATOM 0 H GLN A 66 9.827 -8.357 5.558 1.00 0.88 H new ATOM 0 HA GLN A 66 11.820 -9.740 4.486 1.00 0.63 H new ATOM 0 HB2 GLN A 66 11.369 -8.101 2.444 1.00 0.50 H new ATOM 0 HB3 GLN A 66 10.032 -9.047 3.068 1.00 0.50 H new ATOM 0 HG2 GLN A 66 8.962 -7.218 3.992 1.00 1.21 H new ATOM 0 HG3 GLN A 66 10.454 -6.350 4.295 1.00 1.21 H new ATOM 0 HE21 GLN A 66 11.231 -4.852 2.716 1.00 0.92 H new ATOM 0 HE22 GLN A 66 10.164 -4.351 1.399 1.00 0.92 H new ATOM 531 N CYS A 67 12.900 -6.608 4.681 1.00 0.81 N ATOM 532 CA CYS A 67 14.034 -5.684 4.618 1.00 0.98 C ATOM 533 C CYS A 67 13.700 -4.433 5.464 1.00 1.13 C ATOM 534 O CYS A 67 12.863 -4.507 6.370 1.00 1.90 O ATOM 535 CB CYS A 67 14.273 -5.356 3.129 1.00 1.01 C ATOM 536 SG CYS A 67 15.970 -4.764 2.879 1.00 1.37 S ATOM 0 H CYS A 67 12.032 -6.134 4.930 1.00 0.81 H new ATOM 0 HA CYS A 67 14.949 -6.111 5.028 1.00 0.98 H new ATOM 0 HB2 CYS A 67 14.097 -6.244 2.521 1.00 1.01 H new ATOM 0 HB3 CYS A 67 13.564 -4.597 2.798 1.00 1.01 H new ATOM 0 HG CYS A 67 16.155 -4.495 1.621 1.00 1.37 H new ATOM 542 N GLY A 68 14.270 -3.270 5.127 1.00 1.01 N ATOM 543 CA GLY A 68 13.677 -1.973 5.475 1.00 1.05 C ATOM 544 C GLY A 68 12.267 -1.793 4.887 1.00 1.07 C ATOM 545 O GLY A 68 11.746 -2.661 4.180 1.00 1.92 O ATOM 0 H GLY A 68 15.147 -3.201 4.610 1.00 1.01 H new ATOM 0 HA2 GLY A 68 13.630 -1.878 6.560 1.00 1.05 H new ATOM 0 HA3 GLY A 68 14.323 -1.173 5.113 1.00 1.05 H new ATOM 549 N PHE A 69 11.672 -0.629 5.167 1.00 0.94 N ATOM 550 CA PHE A 69 10.412 -0.097 4.615 1.00 0.74 C ATOM 551 C PHE A 69 9.118 -0.859 4.954 1.00 0.63 C ATOM 552 O PHE A 69 8.064 -0.235 5.072 1.00 0.61 O ATOM 553 CB PHE A 69 10.538 0.097 3.090 1.00 1.26 C ATOM 554 CG PHE A 69 11.388 1.250 2.586 1.00 0.67 C ATOM 555 CD1 PHE A 69 12.554 1.703 3.234 1.00 1.75 C ATOM 556 CD2 PHE A 69 10.961 1.909 1.425 1.00 1.77 C ATOM 557 CE1 PHE A 69 13.233 2.834 2.758 1.00 2.21 C ATOM 558 CE2 PHE A 69 11.600 3.070 0.973 1.00 1.85 C ATOM 559 CZ PHE A 69 12.746 3.538 1.640 1.00 1.59 C ATOM 0 H PHE A 69 12.087 0.019 5.836 1.00 0.94 H new ATOM 0 HA PHE A 69 10.287 0.856 5.130 1.00 0.74 H new ATOM 0 HB2 PHE A 69 10.941 -0.824 2.668 1.00 1.26 H new ATOM 0 HB3 PHE A 69 9.534 0.221 2.685 1.00 1.26 H new ATOM 0 HD1 PHE A 69 12.926 1.177 4.101 1.00 1.75 H new ATOM 0 HD2 PHE A 69 10.124 1.514 0.869 1.00 1.77 H new ATOM 0 HE1 PHE A 69 14.134 3.167 3.252 1.00 2.21 H new ATOM 0 HE2 PHE A 69 11.215 3.603 0.117 1.00 1.85 H new ATOM 0 HZ PHE A 69 13.249 4.430 1.297 1.00 1.59 H new ATOM 569 N SER A 70 9.152 -2.184 5.093 1.00 0.72 N ATOM 570 CA SER A 70 7.961 -3.043 5.135 1.00 0.69 C ATOM 571 C SER A 70 7.163 -2.915 6.427 1.00 0.62 C ATOM 572 O SER A 70 5.935 -2.981 6.406 1.00 0.63 O ATOM 573 CB SER A 70 8.406 -4.482 4.903 1.00 0.81 C ATOM 574 OG SER A 70 8.954 -5.087 6.051 1.00 1.91 O ATOM 0 H SER A 70 10.025 -2.704 5.182 1.00 0.72 H new ATOM 0 HA SER A 70 7.279 -2.718 4.349 1.00 0.69 H new ATOM 0 HB2 SER A 70 7.552 -5.069 4.564 1.00 0.81 H new ATOM 0 HB3 SER A 70 9.145 -4.502 4.102 1.00 0.81 H new ATOM 0 HG SER A 70 9.932 -5.070 5.994 1.00 1.91 H new ATOM 580 N ASN A 71 7.842 -2.668 7.549 1.00 0.62 N ATOM 581 CA ASN A 71 7.175 -2.335 8.800 1.00 0.58 C ATOM 582 C ASN A 71 6.800 -0.854 8.856 1.00 0.56 C ATOM 583 O ASN A 71 5.762 -0.545 9.416 1.00 0.56 O ATOM 584 CB ASN A 71 8.076 -2.734 9.974 1.00 0.68 C ATOM 585 CG ASN A 71 7.289 -3.152 11.210 1.00 1.87 C ATOM 586 OD1 ASN A 71 6.390 -3.988 11.171 1.00 3.06 O ATOM 587 ND2 ASN A 71 7.599 -2.589 12.352 1.00 2.37 N ATOM 0 H ASN A 71 8.860 -2.694 7.612 1.00 0.62 H new ATOM 0 HA ASN A 71 6.242 -2.894 8.866 1.00 0.58 H new ATOM 0 HB2 ASN A 71 8.723 -3.556 9.666 1.00 0.68 H new ATOM 0 HB3 ASN A 71 8.725 -1.896 10.229 1.00 0.68 H new ATOM 0 HD21 ASN A 71 7.095 -2.846 13.201 1.00 2.37 H new ATOM 0 HD22 ASN A 71 8.344 -1.894 12.392 1.00 2.37 H new ATOM 594 N ALA A 72 7.565 0.054 8.243 1.00 0.58 N ATOM 595 CA ALA A 72 7.249 1.490 8.216 1.00 0.55 C ATOM 596 C ALA A 72 5.859 1.776 7.637 1.00 0.48 C ATOM 597 O ALA A 72 5.079 2.540 8.217 1.00 0.48 O ATOM 598 CB ALA A 72 8.350 2.242 7.452 1.00 0.59 C ATOM 0 H ALA A 72 8.425 -0.185 7.749 1.00 0.58 H new ATOM 0 HA ALA A 72 7.220 1.851 9.244 1.00 0.55 H new ATOM 0 HB1 ALA A 72 8.117 3.307 7.431 1.00 0.59 H new ATOM 0 HB2 ALA A 72 9.307 2.090 7.950 1.00 0.59 H new ATOM 0 HB3 ALA A 72 8.408 1.864 6.431 1.00 0.59 H new ATOM 604 N VAL A 73 5.506 1.105 6.540 1.00 0.47 N ATOM 605 CA VAL A 73 4.211 1.219 5.897 1.00 0.45 C ATOM 606 C VAL A 73 3.073 0.585 6.698 1.00 0.39 C ATOM 607 O VAL A 73 1.980 1.144 6.781 1.00 0.38 O ATOM 608 CB VAL A 73 4.319 0.645 4.477 1.00 0.55 C ATOM 609 CG1 VAL A 73 5.226 1.518 3.604 1.00 0.67 C ATOM 610 CG2 VAL A 73 4.838 -0.777 4.399 1.00 0.54 C ATOM 0 H VAL A 73 6.133 0.453 6.068 1.00 0.47 H new ATOM 0 HA VAL A 73 3.944 2.275 5.845 1.00 0.45 H new ATOM 0 HB VAL A 73 3.291 0.638 4.116 1.00 0.55 H new ATOM 0 HG11 VAL A 73 5.287 1.092 2.603 1.00 0.67 H new ATOM 0 HG12 VAL A 73 4.814 2.525 3.545 1.00 0.67 H new ATOM 0 HG13 VAL A 73 6.223 1.559 4.042 1.00 0.67 H new ATOM 0 HG21 VAL A 73 4.878 -1.093 3.357 1.00 0.54 H new ATOM 0 HG22 VAL A 73 5.838 -0.824 4.831 1.00 0.54 H new ATOM 0 HG23 VAL A 73 4.172 -1.438 4.953 1.00 0.54 H new ATOM 620 N VAL A 74 3.340 -0.551 7.344 1.00 0.39 N ATOM 621 CA VAL A 74 2.356 -1.291 8.149 1.00 0.39 C ATOM 622 C VAL A 74 2.138 -0.648 9.522 1.00 0.35 C ATOM 623 O VAL A 74 1.005 -0.610 9.998 1.00 0.36 O ATOM 624 CB VAL A 74 2.746 -2.774 8.222 1.00 0.42 C ATOM 625 CG1 VAL A 74 1.821 -3.586 9.132 1.00 0.50 C ATOM 626 CG2 VAL A 74 2.669 -3.377 6.811 1.00 0.52 C ATOM 0 H VAL A 74 4.259 -0.993 7.325 1.00 0.39 H new ATOM 0 HA VAL A 74 1.385 -1.237 7.656 1.00 0.39 H new ATOM 0 HB VAL A 74 3.754 -2.822 8.634 1.00 0.42 H new ATOM 0 HG11 VAL A 74 2.145 -4.627 9.145 1.00 0.50 H new ATOM 0 HG12 VAL A 74 1.859 -3.182 10.144 1.00 0.50 H new ATOM 0 HG13 VAL A 74 0.799 -3.529 8.757 1.00 0.50 H new ATOM 0 HG21 VAL A 74 2.944 -4.431 6.850 1.00 0.52 H new ATOM 0 HG22 VAL A 74 1.652 -3.281 6.429 1.00 0.52 H new ATOM 0 HG23 VAL A 74 3.356 -2.847 6.151 1.00 0.52 H new ATOM 636 N GLN A 75 3.178 -0.048 10.106 1.00 0.33 N ATOM 637 CA GLN A 75 3.105 0.822 11.278 1.00 0.34 C ATOM 638 C GLN A 75 2.184 2.009 10.999 1.00 0.30 C ATOM 639 O GLN A 75 1.262 2.250 11.767 1.00 0.32 O ATOM 640 CB GLN A 75 4.507 1.283 11.718 1.00 0.43 C ATOM 641 CG GLN A 75 5.240 0.198 12.531 1.00 0.56 C ATOM 642 CD GLN A 75 4.635 -0.045 13.915 1.00 1.05 C ATOM 643 OE1 GLN A 75 3.908 0.771 14.466 1.00 2.25 O ATOM 644 NE2 GLN A 75 4.905 -1.170 14.539 1.00 0.82 N ATOM 0 H GLN A 75 4.131 -0.161 9.760 1.00 0.33 H new ATOM 0 HA GLN A 75 2.682 0.253 12.105 1.00 0.34 H new ATOM 0 HB2 GLN A 75 5.098 1.539 10.838 1.00 0.43 H new ATOM 0 HB3 GLN A 75 4.420 2.189 12.318 1.00 0.43 H new ATOM 0 HG2 GLN A 75 5.227 -0.736 11.969 1.00 0.56 H new ATOM 0 HG3 GLN A 75 6.285 0.486 12.646 1.00 0.56 H new ATOM 0 HE21 GLN A 75 5.508 -1.865 14.099 1.00 0.82 H new ATOM 0 HE22 GLN A 75 4.511 -1.348 15.463 1.00 0.82 H new ATOM 653 N ILE A 76 2.329 2.697 9.862 1.00 0.27 N ATOM 654 CA ILE A 76 1.429 3.816 9.532 1.00 0.24 C ATOM 655 C ILE A 76 -0.027 3.349 9.443 1.00 0.24 C ATOM 656 O ILE A 76 -0.914 3.987 10.012 1.00 0.25 O ATOM 657 CB ILE A 76 1.917 4.516 8.244 1.00 0.26 C ATOM 658 CG1 ILE A 76 3.155 5.346 8.623 1.00 0.31 C ATOM 659 CG2 ILE A 76 0.842 5.410 7.597 1.00 0.33 C ATOM 660 CD1 ILE A 76 3.968 5.850 7.434 1.00 0.31 C ATOM 0 H ILE A 76 3.047 2.507 9.163 1.00 0.27 H new ATOM 0 HA ILE A 76 1.458 4.552 10.336 1.00 0.24 H new ATOM 0 HB ILE A 76 2.154 3.760 7.495 1.00 0.26 H new ATOM 0 HG12 ILE A 76 2.835 6.202 9.217 1.00 0.31 H new ATOM 0 HG13 ILE A 76 3.802 4.741 9.259 1.00 0.31 H new ATOM 0 HG21 ILE A 76 1.247 5.873 6.697 1.00 0.33 H new ATOM 0 HG22 ILE A 76 -0.025 4.804 7.335 1.00 0.33 H new ATOM 0 HG23 ILE A 76 0.543 6.186 8.301 1.00 0.33 H new ATOM 0 HD11 ILE A 76 4.821 6.425 7.794 1.00 0.31 H new ATOM 0 HD12 ILE A 76 4.323 5.001 6.850 1.00 0.31 H new ATOM 0 HD13 ILE A 76 3.341 6.485 6.808 1.00 0.31 H new ATOM 672 N LEU A 77 -0.274 2.210 8.794 1.00 0.24 N ATOM 673 CA LEU A 77 -1.613 1.624 8.691 1.00 0.26 C ATOM 674 C LEU A 77 -2.210 1.267 10.066 1.00 0.29 C ATOM 675 O LEU A 77 -3.260 1.810 10.419 1.00 0.30 O ATOM 676 CB LEU A 77 -1.569 0.441 7.708 1.00 0.27 C ATOM 677 CG LEU A 77 -1.464 0.912 6.244 1.00 0.27 C ATOM 678 CD1 LEU A 77 -1.016 -0.231 5.337 1.00 0.32 C ATOM 679 CD2 LEU A 77 -2.820 1.420 5.741 1.00 0.32 C ATOM 0 H LEU A 77 0.450 1.666 8.324 1.00 0.24 H new ATOM 0 HA LEU A 77 -2.301 2.368 8.290 1.00 0.26 H new ATOM 0 HB2 LEU A 77 -0.718 -0.197 7.946 1.00 0.27 H new ATOM 0 HB3 LEU A 77 -2.466 -0.166 7.830 1.00 0.27 H new ATOM 0 HG LEU A 77 -0.730 1.717 6.214 1.00 0.27 H new ATOM 0 HD11 LEU A 77 -0.949 0.125 4.309 1.00 0.32 H new ATOM 0 HD12 LEU A 77 -0.039 -0.591 5.661 1.00 0.32 H new ATOM 0 HD13 LEU A 77 -1.739 -1.045 5.393 1.00 0.32 H new ATOM 0 HD21 LEU A 77 -2.725 1.748 4.706 1.00 0.32 H new ATOM 0 HD22 LEU A 77 -3.554 0.617 5.801 1.00 0.32 H new ATOM 0 HD23 LEU A 77 -3.147 2.257 6.358 1.00 0.32 H new ATOM 691 N ARG A 78 -1.540 0.449 10.888 1.00 0.31 N ATOM 692 CA ARG A 78 -2.002 0.064 12.217 1.00 0.38 C ATOM 693 C ARG A 78 -2.107 1.226 13.218 1.00 0.38 C ATOM 694 O ARG A 78 -3.021 1.209 14.039 1.00 0.44 O ATOM 695 CB ARG A 78 -1.111 -1.097 12.688 1.00 0.45 C ATOM 696 CG ARG A 78 0.261 -0.671 13.235 1.00 0.57 C ATOM 697 CD ARG A 78 1.242 -1.839 13.421 1.00 0.91 C ATOM 698 NE ARG A 78 0.967 -2.639 14.627 1.00 1.44 N ATOM 699 CZ ARG A 78 1.780 -3.513 15.195 1.00 2.27 C ATOM 700 NH1 ARG A 78 2.932 -3.836 14.690 1.00 3.07 N ATOM 701 NH2 ARG A 78 1.418 -4.080 16.305 1.00 3.21 N ATOM 0 H ARG A 78 -0.644 0.031 10.637 1.00 0.31 H new ATOM 0 HA ARG A 78 -3.039 -0.267 12.159 1.00 0.38 H new ATOM 0 HB2 ARG A 78 -1.640 -1.652 13.463 1.00 0.45 H new ATOM 0 HB3 ARG A 78 -0.958 -1.782 11.854 1.00 0.45 H new ATOM 0 HG2 ARG A 78 0.703 0.058 12.556 1.00 0.57 H new ATOM 0 HG3 ARG A 78 0.121 -0.170 14.193 1.00 0.57 H new ATOM 0 HD2 ARG A 78 1.197 -2.486 12.545 1.00 0.91 H new ATOM 0 HD3 ARG A 78 2.258 -1.447 13.476 1.00 0.91 H new ATOM 0 HE ARG A 78 0.057 -2.505 15.068 1.00 1.44 H new ATOM 0 HH11 ARG A 78 3.244 -3.409 13.818 1.00 3.07 H new ATOM 0 HH12 ARG A 78 3.525 -4.516 15.166 1.00 3.07 H new ATOM 0 HH21 ARG A 78 0.518 -3.849 16.726 1.00 3.21 H new ATOM 0 HH22 ARG A 78 2.033 -4.757 16.756 1.00 3.21 H new ATOM 715 N LEU A 79 -1.276 2.272 13.124 1.00 0.34 N ATOM 716 CA LEU A 79 -1.402 3.513 13.900 1.00 0.35 C ATOM 717 C LEU A 79 -2.661 4.299 13.519 1.00 0.34 C ATOM 718 O LEU A 79 -3.328 4.857 14.387 1.00 0.39 O ATOM 719 CB LEU A 79 -0.170 4.390 13.637 1.00 0.34 C ATOM 720 CG LEU A 79 1.132 3.920 14.306 1.00 0.37 C ATOM 721 CD1 LEU A 79 2.277 4.772 13.755 1.00 0.38 C ATOM 722 CD2 LEU A 79 1.089 4.067 15.827 1.00 0.44 C ATOM 0 H LEU A 79 -0.477 2.279 12.490 1.00 0.34 H new ATOM 0 HA LEU A 79 -1.476 3.247 14.954 1.00 0.35 H new ATOM 0 HB2 LEU A 79 -0.006 4.443 12.561 1.00 0.34 H new ATOM 0 HB3 LEU A 79 -0.387 5.403 13.976 1.00 0.34 H new ATOM 0 HG LEU A 79 1.272 2.862 14.086 1.00 0.37 H new ATOM 0 HD11 LEU A 79 3.216 4.460 14.213 1.00 0.38 H new ATOM 0 HD12 LEU A 79 2.340 4.642 12.675 1.00 0.38 H new ATOM 0 HD13 LEU A 79 2.093 5.822 13.984 1.00 0.38 H new ATOM 0 HD21 LEU A 79 2.031 3.722 16.253 1.00 0.44 H new ATOM 0 HD22 LEU A 79 0.935 5.114 16.087 1.00 0.44 H new ATOM 0 HD23 LEU A 79 0.270 3.470 16.227 1.00 0.44 H new ATOM 734 N HIS A 80 -3.030 4.293 12.239 1.00 0.30 N ATOM 735 CA HIS A 80 -4.322 4.779 11.758 1.00 0.30 C ATOM 736 C HIS A 80 -5.487 3.805 12.034 1.00 0.35 C ATOM 737 O HIS A 80 -6.624 4.113 11.685 1.00 0.39 O ATOM 738 CB HIS A 80 -4.191 5.162 10.276 1.00 0.27 C ATOM 739 CG HIS A 80 -3.605 6.538 10.091 1.00 0.27 C ATOM 740 ND1 HIS A 80 -4.270 7.707 10.352 1.00 0.29 N ATOM 741 CD2 HIS A 80 -2.348 6.888 9.672 1.00 0.27 C ATOM 742 CE1 HIS A 80 -3.461 8.735 10.090 1.00 0.31 C ATOM 743 NE2 HIS A 80 -2.268 8.291 9.650 1.00 0.29 N ATOM 0 H HIS A 80 -2.428 3.944 11.493 1.00 0.30 H new ATOM 0 HA HIS A 80 -4.589 5.669 12.327 1.00 0.30 H new ATOM 0 HB2 HIS A 80 -3.563 4.430 9.768 1.00 0.27 H new ATOM 0 HB3 HIS A 80 -5.173 5.121 9.804 1.00 0.27 H new ATOM 0 HD2 HIS A 80 -1.556 6.204 9.405 1.00 0.27 H new ATOM 0 HE1 HIS A 80 -3.725 9.775 10.213 1.00 0.31 H new ATOM 0 HE2 HIS A 80 -1.470 8.857 9.360 1.00 0.29 H new ATOM 751 N GLY A 81 -5.254 2.668 12.699 1.00 0.38 N ATOM 752 CA GLY A 81 -6.295 1.696 13.052 1.00 0.46 C ATOM 753 C GLY A 81 -6.605 0.659 11.965 1.00 0.45 C ATOM 754 O GLY A 81 -7.560 -0.104 12.125 1.00 0.60 O ATOM 0 H GLY A 81 -4.323 2.393 13.012 1.00 0.38 H new ATOM 0 HA2 GLY A 81 -5.990 1.172 13.958 1.00 0.46 H new ATOM 0 HA3 GLY A 81 -7.211 2.237 13.290 1.00 0.46 H new ATOM 758 N VAL A 82 -5.831 0.626 10.873 1.00 0.36 N ATOM 759 CA VAL A 82 -6.118 -0.148 9.655 1.00 0.36 C ATOM 760 C VAL A 82 -5.236 -1.392 9.545 1.00 0.34 C ATOM 761 O VAL A 82 -4.010 -1.313 9.499 1.00 0.40 O ATOM 762 CB VAL A 82 -5.995 0.733 8.393 1.00 0.39 C ATOM 763 CG1 VAL A 82 -6.397 -0.037 7.126 1.00 0.40 C ATOM 764 CG2 VAL A 82 -6.893 1.977 8.478 1.00 0.48 C ATOM 0 H VAL A 82 -4.960 1.153 10.809 1.00 0.36 H new ATOM 0 HA VAL A 82 -7.150 -0.491 9.730 1.00 0.36 H new ATOM 0 HB VAL A 82 -4.948 1.030 8.339 1.00 0.39 H new ATOM 0 HG11 VAL A 82 -6.298 0.614 6.258 1.00 0.40 H new ATOM 0 HG12 VAL A 82 -5.747 -0.904 7.005 1.00 0.40 H new ATOM 0 HG13 VAL A 82 -7.431 -0.369 7.215 1.00 0.40 H new ATOM 0 HG21 VAL A 82 -6.778 2.571 7.571 1.00 0.48 H new ATOM 0 HG22 VAL A 82 -7.933 1.668 8.580 1.00 0.48 H new ATOM 0 HG23 VAL A 82 -6.605 2.575 9.343 1.00 0.48 H new ATOM 774 N ARG A 83 -5.887 -2.551 9.440 1.00 0.33 N ATOM 775 CA ARG A 83 -5.313 -3.891 9.249 1.00 0.44 C ATOM 776 C ARG A 83 -6.057 -4.744 8.214 1.00 0.49 C ATOM 777 O ARG A 83 -5.518 -5.721 7.700 1.00 0.73 O ATOM 778 CB ARG A 83 -5.131 -4.593 10.587 1.00 0.64 C ATOM 779 CG ARG A 83 -6.126 -4.206 11.683 1.00 0.91 C ATOM 780 CD ARG A 83 -5.929 -5.237 12.784 1.00 2.03 C ATOM 781 NE ARG A 83 -6.648 -4.898 14.024 1.00 2.74 N ATOM 782 CZ ARG A 83 -7.955 -4.819 14.187 1.00 3.15 C ATOM 783 NH1 ARG A 83 -8.815 -5.120 13.261 1.00 3.32 N ATOM 784 NH2 ARG A 83 -8.460 -4.417 15.310 1.00 4.13 N ATOM 0 H ARG A 83 -6.905 -2.584 9.489 1.00 0.33 H new ATOM 0 HA ARG A 83 -4.324 -3.752 8.812 1.00 0.44 H new ATOM 0 HB2 ARG A 83 -5.199 -5.669 10.424 1.00 0.64 H new ATOM 0 HB3 ARG A 83 -4.123 -4.389 10.949 1.00 0.64 H new ATOM 0 HG2 ARG A 83 -5.935 -3.197 12.050 1.00 0.91 H new ATOM 0 HG3 ARG A 83 -7.150 -4.221 11.308 1.00 0.91 H new ATOM 0 HD2 ARG A 83 -6.268 -6.210 12.428 1.00 2.03 H new ATOM 0 HD3 ARG A 83 -4.865 -5.330 13.001 1.00 2.03 H new ATOM 0 HE ARG A 83 -6.074 -4.703 14.845 1.00 2.74 H new ATOM 0 HH11 ARG A 83 -8.491 -5.438 12.348 1.00 3.32 H new ATOM 0 HH12 ARG A 83 -9.815 -5.039 13.447 1.00 3.32 H new ATOM 0 HH21 ARG A 83 -7.846 -4.157 16.081 1.00 4.13 H new ATOM 0 HH22 ARG A 83 -9.472 -4.360 15.423 1.00 4.13 H new ATOM 798 N ASP A 84 -7.248 -4.296 7.822 1.00 0.54 N ATOM 799 CA ASP A 84 -8.064 -4.806 6.714 1.00 0.59 C ATOM 800 C ASP A 84 -7.525 -4.421 5.316 1.00 0.50 C ATOM 801 O ASP A 84 -8.274 -4.434 4.337 1.00 0.60 O ATOM 802 CB ASP A 84 -9.544 -4.404 6.909 1.00 0.89 C ATOM 803 CG ASP A 84 -10.289 -5.246 7.949 1.00 2.01 C ATOM 804 OD1 ASP A 84 -10.245 -4.933 9.167 1.00 3.03 O ATOM 805 OD2 ASP A 84 -10.924 -6.253 7.551 1.00 3.17 O ATOM 0 H ASP A 84 -7.701 -3.516 8.299 1.00 0.54 H new ATOM 0 HA ASP A 84 -7.997 -5.894 6.743 1.00 0.59 H new ATOM 0 HB2 ASP A 84 -9.589 -3.356 7.206 1.00 0.89 H new ATOM 0 HB3 ASP A 84 -10.061 -4.486 5.953 1.00 0.89 H new ATOM 810 N TYR A 85 -6.217 -4.157 5.179 1.00 0.40 N ATOM 811 CA TYR A 85 -5.577 -4.239 3.876 1.00 0.35 C ATOM 812 C TYR A 85 -5.481 -5.708 3.435 1.00 0.36 C ATOM 813 O TYR A 85 -5.503 -6.629 4.256 1.00 0.43 O ATOM 814 CB TYR A 85 -4.148 -3.640 3.882 1.00 0.34 C ATOM 815 CG TYR A 85 -3.258 -4.090 5.020 1.00 0.34 C ATOM 816 CD1 TYR A 85 -2.644 -5.340 4.891 1.00 1.81 C ATOM 817 CD2 TYR A 85 -3.076 -3.324 6.194 1.00 1.96 C ATOM 818 CE1 TYR A 85 -1.907 -5.874 5.959 1.00 1.84 C ATOM 819 CE2 TYR A 85 -2.290 -3.837 7.249 1.00 1.95 C ATOM 820 CZ TYR A 85 -1.726 -5.129 7.143 1.00 0.40 C ATOM 821 OH TYR A 85 -1.027 -5.691 8.165 1.00 0.48 O ATOM 0 H TYR A 85 -5.599 -3.890 5.945 1.00 0.40 H new ATOM 0 HA TYR A 85 -6.191 -3.661 3.185 1.00 0.35 H new ATOM 0 HB2 TYR A 85 -3.662 -3.896 2.941 1.00 0.34 H new ATOM 0 HB3 TYR A 85 -4.228 -2.553 3.914 1.00 0.34 H new ATOM 0 HD1 TYR A 85 -2.737 -5.895 3.969 1.00 1.81 H new ATOM 0 HD2 TYR A 85 -3.536 -2.351 6.284 1.00 1.96 H new ATOM 0 HE1 TYR A 85 -1.476 -6.861 5.874 1.00 1.84 H new ATOM 0 HE2 TYR A 85 -2.120 -3.243 8.135 1.00 1.95 H new ATOM 0 HH TYR A 85 -0.982 -5.062 8.915 1.00 0.48 H new ATOM 831 N ALA A 86 -5.275 -5.903 2.137 1.00 0.33 N ATOM 832 CA ALA A 86 -4.664 -7.102 1.576 1.00 0.32 C ATOM 833 C ALA A 86 -3.196 -6.789 1.262 1.00 0.31 C ATOM 834 O ALA A 86 -2.921 -5.904 0.449 1.00 0.33 O ATOM 835 CB ALA A 86 -5.471 -7.527 0.344 1.00 0.34 C ATOM 0 H ALA A 86 -5.534 -5.216 1.429 1.00 0.33 H new ATOM 0 HA ALA A 86 -4.677 -7.940 2.273 1.00 0.32 H new ATOM 0 HB1 ALA A 86 -5.028 -8.424 -0.090 1.00 0.34 H new ATOM 0 HB2 ALA A 86 -6.500 -7.736 0.637 1.00 0.34 H new ATOM 0 HB3 ALA A 86 -5.460 -6.724 -0.393 1.00 0.34 H new ATOM 841 N ALA A 87 -2.251 -7.441 1.949 1.00 0.29 N ATOM 842 CA ALA A 87 -0.823 -7.173 1.779 1.00 0.30 C ATOM 843 C ALA A 87 -0.220 -8.130 0.722 1.00 0.31 C ATOM 844 O ALA A 87 0.073 -9.286 1.030 1.00 0.41 O ATOM 845 CB ALA A 87 -0.092 -7.343 3.118 1.00 0.33 C ATOM 0 H ALA A 87 -2.456 -8.167 2.636 1.00 0.29 H new ATOM 0 HA ALA A 87 -0.699 -6.146 1.435 1.00 0.30 H new ATOM 0 HB1 ALA A 87 0.970 -7.141 2.981 1.00 0.33 H new ATOM 0 HB2 ALA A 87 -0.503 -6.645 3.848 1.00 0.33 H new ATOM 0 HB3 ALA A 87 -0.224 -8.363 3.478 1.00 0.33 H new ATOM 851 N TYR A 88 -0.009 -7.683 -0.512 1.00 0.29 N ATOM 852 CA TYR A 88 0.524 -8.489 -1.613 1.00 0.30 C ATOM 853 C TYR A 88 2.038 -8.677 -1.532 1.00 0.27 C ATOM 854 O TYR A 88 2.814 -7.724 -1.649 1.00 0.26 O ATOM 855 CB TYR A 88 0.098 -7.899 -2.968 1.00 0.35 C ATOM 856 CG TYR A 88 -1.331 -8.234 -3.350 1.00 0.44 C ATOM 857 CD1 TYR A 88 -2.414 -7.587 -2.719 1.00 1.85 C ATOM 858 CD2 TYR A 88 -1.573 -9.205 -4.340 1.00 1.82 C ATOM 859 CE1 TYR A 88 -3.743 -7.946 -3.039 1.00 1.88 C ATOM 860 CE2 TYR A 88 -2.894 -9.557 -4.667 1.00 1.92 C ATOM 861 CZ TYR A 88 -3.978 -8.956 -3.996 1.00 0.83 C ATOM 862 OH TYR A 88 -5.234 -9.374 -4.286 1.00 1.06 O ATOM 0 H TYR A 88 -0.209 -6.721 -0.785 1.00 0.29 H new ATOM 0 HA TYR A 88 0.093 -9.486 -1.519 1.00 0.30 H new ATOM 0 HB2 TYR A 88 0.213 -6.816 -2.936 1.00 0.35 H new ATOM 0 HB3 TYR A 88 0.769 -8.268 -3.743 1.00 0.35 H new ATOM 0 HD1 TYR A 88 -2.227 -6.814 -1.988 1.00 1.85 H new ATOM 0 HD2 TYR A 88 -0.745 -9.679 -4.847 1.00 1.82 H new ATOM 0 HE1 TYR A 88 -4.572 -7.451 -2.555 1.00 1.88 H new ATOM 0 HE2 TYR A 88 -3.079 -10.292 -5.436 1.00 1.92 H new ATOM 0 HH TYR A 88 -5.196 -10.075 -4.970 1.00 1.06 H new ATOM 872 N ASN A 89 2.434 -9.946 -1.401 1.00 0.32 N ATOM 873 CA ASN A 89 3.788 -10.433 -1.486 1.00 0.33 C ATOM 874 C ASN A 89 4.258 -10.535 -2.944 1.00 0.33 C ATOM 875 O ASN A 89 3.910 -11.486 -3.649 1.00 0.43 O ATOM 876 CB ASN A 89 3.771 -11.809 -0.800 1.00 0.48 C ATOM 877 CG ASN A 89 5.163 -12.347 -0.626 1.00 1.08 C ATOM 878 OD1 ASN A 89 5.678 -13.130 -1.407 1.00 2.12 O ATOM 879 ND2 ASN A 89 5.836 -11.876 0.381 1.00 1.03 N ATOM 0 H ASN A 89 1.767 -10.696 -1.222 1.00 0.32 H new ATOM 0 HA ASN A 89 4.490 -9.754 -1.002 1.00 0.33 H new ATOM 0 HB2 ASN A 89 3.286 -11.727 0.173 1.00 0.48 H new ATOM 0 HB3 ASN A 89 3.180 -12.507 -1.393 1.00 0.48 H new ATOM 0 HD21 ASN A 89 6.805 -12.160 0.525 1.00 1.03 H new ATOM 0 HD22 ASN A 89 5.395 -11.222 1.028 1.00 1.03 H new ATOM 886 N VAL A 90 5.075 -9.588 -3.408 1.00 0.30 N ATOM 887 CA VAL A 90 5.571 -9.607 -4.807 1.00 0.39 C ATOM 888 C VAL A 90 6.736 -10.586 -5.048 1.00 0.51 C ATOM 889 O VAL A 90 7.172 -10.764 -6.183 1.00 0.73 O ATOM 890 CB VAL A 90 5.843 -8.197 -5.367 1.00 0.42 C ATOM 891 CG1 VAL A 90 4.621 -7.288 -5.165 1.00 0.44 C ATOM 892 CG2 VAL A 90 7.066 -7.521 -4.746 1.00 0.46 C ATOM 0 H VAL A 90 5.411 -8.802 -2.852 1.00 0.30 H new ATOM 0 HA VAL A 90 4.744 -10.011 -5.391 1.00 0.39 H new ATOM 0 HB VAL A 90 6.046 -8.337 -6.429 1.00 0.42 H new ATOM 0 HG11 VAL A 90 4.834 -6.298 -5.567 1.00 0.44 H new ATOM 0 HG12 VAL A 90 3.762 -7.713 -5.683 1.00 0.44 H new ATOM 0 HG13 VAL A 90 4.399 -7.208 -4.101 1.00 0.44 H new ATOM 0 HG21 VAL A 90 7.198 -6.533 -5.186 1.00 0.46 H new ATOM 0 HG22 VAL A 90 6.920 -7.423 -3.670 1.00 0.46 H new ATOM 0 HG23 VAL A 90 7.953 -8.125 -4.938 1.00 0.46 H new ATOM 902 N LEU A 91 7.217 -11.273 -4.003 1.00 0.47 N ATOM 903 CA LEU A 91 8.188 -12.372 -4.122 1.00 0.62 C ATOM 904 C LEU A 91 7.531 -13.670 -4.625 1.00 0.61 C ATOM 905 O LEU A 91 8.153 -14.427 -5.370 1.00 0.76 O ATOM 906 CB LEU A 91 8.891 -12.602 -2.772 1.00 0.73 C ATOM 907 CG LEU A 91 9.727 -11.416 -2.267 1.00 0.86 C ATOM 908 CD1 LEU A 91 10.269 -11.727 -0.874 1.00 0.92 C ATOM 909 CD2 LEU A 91 10.908 -11.099 -3.188 1.00 1.30 C ATOM 0 H LEU A 91 6.941 -11.080 -3.040 1.00 0.47 H new ATOM 0 HA LEU A 91 8.930 -12.082 -4.866 1.00 0.62 H new ATOM 0 HB2 LEU A 91 8.137 -12.841 -2.022 1.00 0.73 H new ATOM 0 HB3 LEU A 91 9.540 -13.473 -2.861 1.00 0.73 H new ATOM 0 HG LEU A 91 9.069 -10.547 -2.247 1.00 0.86 H new ATOM 0 HD11 LEU A 91 10.862 -10.884 -0.518 1.00 0.92 H new ATOM 0 HD12 LEU A 91 9.438 -11.901 -0.191 1.00 0.92 H new ATOM 0 HD13 LEU A 91 10.895 -12.618 -0.918 1.00 0.92 H new ATOM 0 HD21 LEU A 91 11.466 -10.253 -2.786 1.00 1.30 H new ATOM 0 HD22 LEU A 91 11.563 -11.968 -3.252 1.00 1.30 H new ATOM 0 HD23 LEU A 91 10.537 -10.849 -4.182 1.00 1.30 H new ATOM 921 N ASP A 92 6.252 -13.879 -4.309 1.00 0.58 N ATOM 922 CA ASP A 92 5.497 -15.099 -4.630 1.00 0.69 C ATOM 923 C ASP A 92 5.292 -15.282 -6.142 1.00 0.63 C ATOM 924 O ASP A 92 5.552 -16.358 -6.685 1.00 0.71 O ATOM 925 CB ASP A 92 4.145 -14.999 -3.936 1.00 0.89 C ATOM 926 CG ASP A 92 3.310 -16.276 -4.003 1.00 1.44 C ATOM 927 OD1 ASP A 92 3.749 -17.341 -3.512 1.00 1.70 O ATOM 928 OD2 ASP A 92 2.156 -16.206 -4.485 1.00 2.70 O ATOM 0 H ASP A 92 5.694 -13.187 -3.809 1.00 0.58 H new ATOM 0 HA ASP A 92 6.063 -15.964 -4.285 1.00 0.69 H new ATOM 0 HB2 ASP A 92 4.305 -14.737 -2.890 1.00 0.89 H new ATOM 0 HB3 ASP A 92 3.578 -14.184 -4.385 1.00 0.89 H new ATOM 933 N ASP A 93 4.893 -14.203 -6.817 1.00 0.60 N ATOM 934 CA ASP A 93 4.664 -14.135 -8.264 1.00 0.61 C ATOM 935 C ASP A 93 5.637 -13.171 -8.980 1.00 0.54 C ATOM 936 O ASP A 93 5.536 -11.952 -8.796 1.00 0.47 O ATOM 937 CB ASP A 93 3.224 -13.675 -8.533 1.00 0.79 C ATOM 938 CG ASP A 93 2.241 -14.822 -8.729 1.00 1.18 C ATOM 939 OD1 ASP A 93 2.292 -15.455 -9.810 1.00 2.43 O ATOM 940 OD2 ASP A 93 1.358 -15.036 -7.869 1.00 1.44 O ATOM 0 H ASP A 93 4.712 -13.314 -6.352 1.00 0.60 H new ATOM 0 HA ASP A 93 4.838 -15.135 -8.661 1.00 0.61 H new ATOM 0 HB2 ASP A 93 2.887 -13.058 -7.700 1.00 0.79 H new ATOM 0 HB3 ASP A 93 3.214 -13.044 -9.421 1.00 0.79 H new ATOM 945 N PRO A 94 6.488 -13.651 -9.910 1.00 0.62 N ATOM 946 CA PRO A 94 7.304 -12.763 -10.740 1.00 0.63 C ATOM 947 C PRO A 94 6.459 -11.959 -11.741 1.00 0.57 C ATOM 948 O PRO A 94 6.893 -10.924 -12.243 1.00 0.57 O ATOM 949 CB PRO A 94 8.295 -13.691 -11.429 1.00 0.82 C ATOM 950 CG PRO A 94 7.505 -14.984 -11.608 1.00 0.85 C ATOM 951 CD PRO A 94 6.701 -15.039 -10.307 1.00 0.74 C ATOM 0 HA PRO A 94 7.807 -11.999 -10.148 1.00 0.63 H new ATOM 0 HB2 PRO A 94 8.625 -13.287 -12.386 1.00 0.82 H new ATOM 0 HB3 PRO A 94 9.188 -13.846 -10.823 1.00 0.82 H new ATOM 0 HG2 PRO A 94 6.860 -14.952 -12.486 1.00 0.85 H new ATOM 0 HG3 PRO A 94 8.157 -15.850 -11.723 1.00 0.85 H new ATOM 0 HD2 PRO A 94 5.751 -15.553 -10.456 1.00 0.74 H new ATOM 0 HD3 PRO A 94 7.242 -15.587 -9.536 1.00 0.74 H new ATOM 959 N GLU A 95 5.226 -12.395 -12.001 1.00 0.59 N ATOM 960 CA GLU A 95 4.203 -11.666 -12.724 1.00 0.61 C ATOM 961 C GLU A 95 3.648 -10.469 -11.941 1.00 0.53 C ATOM 962 O GLU A 95 3.412 -9.418 -12.532 1.00 0.56 O ATOM 963 CB GLU A 95 3.063 -12.640 -13.001 1.00 0.73 C ATOM 964 CG GLU A 95 3.480 -13.913 -13.757 1.00 0.84 C ATOM 965 CD GLU A 95 2.287 -14.638 -14.396 1.00 1.84 C ATOM 966 OE1 GLU A 95 1.227 -14.775 -13.733 1.00 3.18 O ATOM 967 OE2 GLU A 95 2.412 -15.093 -15.558 1.00 2.67 O ATOM 0 H GLU A 95 4.905 -13.313 -11.694 1.00 0.59 H new ATOM 0 HA GLU A 95 4.648 -11.268 -13.636 1.00 0.61 H new ATOM 0 HB2 GLU A 95 2.610 -12.928 -12.052 1.00 0.73 H new ATOM 0 HB3 GLU A 95 2.295 -12.125 -13.578 1.00 0.73 H new ATOM 0 HG2 GLU A 95 4.199 -13.651 -14.533 1.00 0.84 H new ATOM 0 HG3 GLU A 95 3.986 -14.590 -13.069 1.00 0.84 H new ATOM 974 N LEU A 96 3.495 -10.600 -10.615 1.00 0.47 N ATOM 975 CA LEU A 96 3.187 -9.453 -9.752 1.00 0.45 C ATOM 976 C LEU A 96 4.382 -8.493 -9.751 1.00 0.44 C ATOM 977 O LEU A 96 4.205 -7.286 -9.891 1.00 0.47 O ATOM 978 CB LEU A 96 2.883 -9.854 -8.289 1.00 0.48 C ATOM 979 CG LEU A 96 1.515 -10.481 -7.966 1.00 0.46 C ATOM 980 CD1 LEU A 96 1.466 -10.801 -6.466 1.00 0.54 C ATOM 981 CD2 LEU A 96 0.346 -9.544 -8.271 1.00 0.62 C ATOM 0 H LEU A 96 3.580 -11.487 -10.119 1.00 0.47 H new ATOM 0 HA LEU A 96 2.290 -8.985 -10.157 1.00 0.45 H new ATOM 0 HB2 LEU A 96 3.653 -10.558 -7.972 1.00 0.48 H new ATOM 0 HB3 LEU A 96 2.992 -8.962 -7.672 1.00 0.48 H new ATOM 0 HG LEU A 96 1.414 -11.370 -8.588 1.00 0.46 H new ATOM 0 HD11 LEU A 96 0.502 -11.246 -6.220 1.00 0.54 H new ATOM 0 HD12 LEU A 96 2.263 -11.501 -6.217 1.00 0.54 H new ATOM 0 HD13 LEU A 96 1.598 -9.883 -5.894 1.00 0.54 H new ATOM 0 HD21 LEU A 96 -0.592 -10.040 -8.023 1.00 0.62 H new ATOM 0 HD22 LEU A 96 0.444 -8.635 -7.677 1.00 0.62 H new ATOM 0 HD23 LEU A 96 0.352 -9.287 -9.330 1.00 0.62 H new ATOM 993 N ARG A 97 5.598 -9.049 -9.634 1.00 0.44 N ATOM 994 CA ARG A 97 6.874 -8.310 -9.606 1.00 0.47 C ATOM 995 C ARG A 97 7.042 -7.421 -10.844 1.00 0.48 C ATOM 996 O ARG A 97 7.151 -6.201 -10.734 1.00 0.50 O ATOM 997 CB ARG A 97 8.017 -9.332 -9.441 1.00 0.53 C ATOM 998 CG ARG A 97 9.337 -8.733 -8.946 1.00 0.64 C ATOM 999 CD ARG A 97 10.360 -9.841 -8.640 1.00 0.74 C ATOM 1000 NE ARG A 97 10.985 -10.431 -9.840 1.00 1.77 N ATOM 1001 CZ ARG A 97 11.382 -11.686 -9.988 1.00 2.29 C ATOM 1002 NH1 ARG A 97 10.965 -12.664 -9.233 1.00 2.02 N ATOM 1003 NH2 ARG A 97 12.232 -11.991 -10.920 1.00 3.45 N ATOM 0 H ARG A 97 5.726 -10.058 -9.554 1.00 0.44 H new ATOM 0 HA ARG A 97 6.891 -7.623 -8.760 1.00 0.47 H new ATOM 0 HB2 ARG A 97 7.698 -10.105 -8.742 1.00 0.53 H new ATOM 0 HB3 ARG A 97 8.191 -9.821 -10.399 1.00 0.53 H new ATOM 0 HG2 ARG A 97 9.741 -8.058 -9.701 1.00 0.64 H new ATOM 0 HG3 ARG A 97 9.158 -8.139 -8.050 1.00 0.64 H new ATOM 0 HD2 ARG A 97 11.142 -9.432 -8.000 1.00 0.74 H new ATOM 0 HD3 ARG A 97 9.866 -10.631 -8.075 1.00 0.74 H new ATOM 0 HE ARG A 97 11.125 -9.809 -10.636 1.00 1.77 H new ATOM 0 HH11 ARG A 97 10.299 -12.481 -8.483 1.00 2.02 H new ATOM 0 HH12 ARG A 97 11.305 -13.612 -9.393 1.00 2.02 H new ATOM 0 HH21 ARG A 97 12.594 -11.265 -11.538 1.00 3.45 H new ATOM 0 HH22 ARG A 97 12.538 -12.957 -11.035 1.00 3.45 H new ATOM 1017 N GLN A 98 6.963 -8.012 -12.034 1.00 0.50 N ATOM 1018 CA GLN A 98 7.052 -7.276 -13.298 1.00 0.54 C ATOM 1019 C GLN A 98 5.844 -6.380 -13.540 1.00 0.55 C ATOM 1020 O GLN A 98 5.989 -5.233 -13.965 1.00 0.62 O ATOM 1021 CB GLN A 98 7.194 -8.289 -14.436 1.00 0.57 C ATOM 1022 CG GLN A 98 7.647 -7.663 -15.764 1.00 0.95 C ATOM 1023 CD GLN A 98 7.846 -8.741 -16.822 1.00 1.61 C ATOM 1024 OE1 GLN A 98 8.956 -9.053 -17.241 1.00 2.26 O ATOM 1025 NE2 GLN A 98 6.792 -9.380 -17.263 1.00 2.37 N ATOM 0 H GLN A 98 6.835 -9.017 -12.152 1.00 0.50 H new ATOM 0 HA GLN A 98 7.920 -6.619 -13.252 1.00 0.54 H new ATOM 0 HB2 GLN A 98 7.911 -9.055 -14.142 1.00 0.57 H new ATOM 0 HB3 GLN A 98 6.237 -8.789 -14.587 1.00 0.57 H new ATOM 0 HG2 GLN A 98 6.904 -6.943 -16.106 1.00 0.95 H new ATOM 0 HG3 GLN A 98 8.577 -7.115 -15.616 1.00 0.95 H new ATOM 0 HE21 GLN A 98 5.864 -9.129 -16.922 1.00 2.37 H new ATOM 0 HE22 GLN A 98 6.899 -10.128 -17.948 1.00 2.37 H new ATOM 1034 N GLY A 99 4.660 -6.887 -13.201 1.00 0.52 N ATOM 1035 CA GLY A 99 3.414 -6.135 -13.305 1.00 0.55 C ATOM 1036 C GLY A 99 3.463 -4.809 -12.542 1.00 0.56 C ATOM 1037 O GLY A 99 3.041 -3.784 -13.081 1.00 0.61 O ATOM 0 H GLY A 99 4.539 -7.835 -12.845 1.00 0.52 H new ATOM 0 HA2 GLY A 99 3.199 -5.938 -14.355 1.00 0.55 H new ATOM 0 HA3 GLY A 99 2.594 -6.742 -12.920 1.00 0.55 H new ATOM 1041 N ILE A 100 4.038 -4.798 -11.331 1.00 0.54 N ATOM 1042 CA ILE A 100 4.117 -3.608 -10.484 1.00 0.58 C ATOM 1043 C ILE A 100 5.320 -2.723 -10.825 1.00 0.64 C ATOM 1044 O ILE A 100 5.182 -1.498 -10.790 1.00 0.70 O ATOM 1045 CB ILE A 100 4.002 -3.997 -9.011 1.00 0.57 C ATOM 1046 CG1 ILE A 100 3.451 -2.856 -8.148 1.00 0.57 C ATOM 1047 CG2 ILE A 100 5.310 -4.504 -8.382 1.00 0.58 C ATOM 1048 CD1 ILE A 100 2.205 -2.089 -8.616 1.00 0.81 C ATOM 0 H ILE A 100 4.464 -5.624 -10.912 1.00 0.54 H new ATOM 0 HA ILE A 100 3.261 -2.968 -10.696 1.00 0.58 H new ATOM 0 HB ILE A 100 3.298 -4.829 -9.021 1.00 0.57 H new ATOM 0 HG12 ILE A 100 3.230 -3.268 -7.163 1.00 0.57 H new ATOM 0 HG13 ILE A 100 4.252 -2.129 -8.017 1.00 0.57 H new ATOM 0 HG21 ILE A 100 5.137 -4.757 -7.336 1.00 0.58 H new ATOM 0 HG22 ILE A 100 5.652 -5.389 -8.918 1.00 0.58 H new ATOM 0 HG23 ILE A 100 6.070 -3.725 -8.446 1.00 0.58 H new ATOM 0 HD11 ILE A 100 1.956 -1.319 -7.886 1.00 0.81 H new ATOM 0 HD12 ILE A 100 2.406 -1.623 -9.581 1.00 0.81 H new ATOM 0 HD13 ILE A 100 1.368 -2.780 -8.714 1.00 0.81 H new ATOM 1060 N LYS A 101 6.448 -3.320 -11.255 1.00 0.66 N ATOM 1061 CA LYS A 101 7.576 -2.582 -11.860 1.00 0.78 C ATOM 1062 C LYS A 101 7.125 -1.733 -13.052 1.00 0.82 C ATOM 1063 O LYS A 101 7.546 -0.584 -13.184 1.00 0.90 O ATOM 1064 CB LYS A 101 8.700 -3.550 -12.287 1.00 0.89 C ATOM 1065 CG LYS A 101 9.569 -4.044 -11.119 1.00 0.96 C ATOM 1066 CD LYS A 101 10.607 -5.079 -11.589 1.00 1.15 C ATOM 1067 CE LYS A 101 11.468 -5.596 -10.426 1.00 1.43 C ATOM 1068 NZ LYS A 101 12.512 -6.548 -10.880 1.00 1.54 N ATOM 0 H LYS A 101 6.604 -4.326 -11.193 1.00 0.66 H new ATOM 0 HA LYS A 101 7.965 -1.907 -11.098 1.00 0.78 H new ATOM 0 HB2 LYS A 101 8.255 -4.411 -12.786 1.00 0.89 H new ATOM 0 HB3 LYS A 101 9.338 -3.052 -13.017 1.00 0.89 H new ATOM 0 HG2 LYS A 101 10.079 -3.197 -10.660 1.00 0.96 H new ATOM 0 HG3 LYS A 101 8.933 -4.487 -10.352 1.00 0.96 H new ATOM 0 HD2 LYS A 101 10.095 -5.917 -12.062 1.00 1.15 H new ATOM 0 HD3 LYS A 101 11.251 -4.630 -12.345 1.00 1.15 H new ATOM 0 HE2 LYS A 101 11.942 -4.752 -9.924 1.00 1.43 H new ATOM 0 HE3 LYS A 101 10.828 -6.085 -9.692 1.00 1.43 H new ATOM 0 HZ1 LYS A 101 13.068 -6.870 -10.062 1.00 1.54 H new ATOM 0 HZ2 LYS A 101 12.061 -7.367 -11.336 1.00 1.54 H new ATOM 0 HZ3 LYS A 101 13.140 -6.075 -11.561 1.00 1.54 H new ATOM 1082 N ASP A 102 6.242 -2.266 -13.896 1.00 0.80 N ATOM 1083 CA ASP A 102 5.633 -1.536 -15.012 1.00 0.88 C ATOM 1084 C ASP A 102 4.577 -0.517 -14.534 1.00 0.86 C ATOM 1085 O ASP A 102 4.741 0.682 -14.769 1.00 0.91 O ATOM 1086 CB ASP A 102 5.065 -2.551 -16.014 1.00 0.92 C ATOM 1087 CG ASP A 102 4.321 -1.879 -17.169 1.00 1.30 C ATOM 1088 OD1 ASP A 102 4.970 -1.475 -18.160 1.00 1.58 O ATOM 1089 OD2 ASP A 102 3.075 -1.761 -17.093 1.00 2.85 O ATOM 0 H ASP A 102 5.923 -3.232 -13.824 1.00 0.80 H new ATOM 0 HA ASP A 102 6.396 -0.940 -15.512 1.00 0.88 H new ATOM 0 HB2 ASP A 102 5.878 -3.157 -16.413 1.00 0.92 H new ATOM 0 HB3 ASP A 102 4.388 -3.229 -15.495 1.00 0.92 H new ATOM 1094 N TYR A 103 3.532 -0.966 -13.825 1.00 0.81 N ATOM 1095 CA TYR A 103 2.368 -0.155 -13.438 1.00 0.81 C ATOM 1096 C TYR A 103 2.753 1.072 -12.593 1.00 0.89 C ATOM 1097 O TYR A 103 2.294 2.189 -12.854 1.00 0.99 O ATOM 1098 CB TYR A 103 1.401 -1.084 -12.686 1.00 0.70 C ATOM 1099 CG TYR A 103 0.005 -0.556 -12.422 1.00 0.63 C ATOM 1100 CD1 TYR A 103 -0.236 0.337 -11.364 1.00 1.65 C ATOM 1101 CD2 TYR A 103 -1.072 -1.044 -13.185 1.00 1.90 C ATOM 1102 CE1 TYR A 103 -1.551 0.762 -11.090 1.00 1.73 C ATOM 1103 CE2 TYR A 103 -2.395 -0.659 -12.885 1.00 1.84 C ATOM 1104 CZ TYR A 103 -2.639 0.275 -11.847 1.00 0.65 C ATOM 1105 OH TYR A 103 -3.892 0.728 -11.548 1.00 0.74 O ATOM 0 H TYR A 103 3.471 -1.929 -13.496 1.00 0.81 H new ATOM 0 HA TYR A 103 1.894 0.257 -14.329 1.00 0.81 H new ATOM 0 HB2 TYR A 103 1.311 -2.010 -13.253 1.00 0.70 H new ATOM 0 HB3 TYR A 103 1.853 -1.340 -11.728 1.00 0.70 H new ATOM 0 HD1 TYR A 103 0.585 0.697 -10.762 1.00 1.65 H new ATOM 0 HD2 TYR A 103 -0.884 -1.719 -14.007 1.00 1.90 H new ATOM 0 HE1 TYR A 103 -1.729 1.468 -10.292 1.00 1.73 H new ATOM 0 HE2 TYR A 103 -3.220 -1.075 -13.445 1.00 1.84 H new ATOM 0 HH TYR A 103 -4.532 0.372 -12.199 1.00 0.74 H new ATOM 1115 N SER A 104 3.655 0.876 -11.626 1.00 0.87 N ATOM 1116 CA SER A 104 4.198 1.926 -10.754 1.00 0.92 C ATOM 1117 C SER A 104 5.513 2.530 -11.283 1.00 0.94 C ATOM 1118 O SER A 104 6.098 3.399 -10.636 1.00 1.01 O ATOM 1119 CB SER A 104 4.330 1.372 -9.331 1.00 0.99 C ATOM 1120 OG SER A 104 4.248 2.401 -8.365 1.00 2.24 O ATOM 0 H SER A 104 4.040 -0.046 -11.421 1.00 0.87 H new ATOM 0 HA SER A 104 3.500 2.763 -10.744 1.00 0.92 H new ATOM 0 HB2 SER A 104 3.544 0.639 -9.151 1.00 0.99 H new ATOM 0 HB3 SER A 104 5.282 0.851 -9.229 1.00 0.99 H new ATOM 0 HG SER A 104 4.274 2.009 -7.467 1.00 2.24 H new ATOM 1126 N ASN A 105 5.972 2.117 -12.474 1.00 0.94 N ATOM 1127 CA ASN A 105 7.089 2.731 -13.206 1.00 1.06 C ATOM 1128 C ASN A 105 8.439 2.814 -12.440 1.00 1.07 C ATOM 1129 O ASN A 105 9.252 3.708 -12.696 1.00 1.20 O ATOM 1130 CB ASN A 105 6.581 4.078 -13.762 1.00 1.23 C ATOM 1131 CG ASN A 105 7.184 4.432 -15.095 1.00 1.45 C ATOM 1132 OD1 ASN A 105 6.624 4.125 -16.138 1.00 1.62 O ATOM 1133 ND2 ASN A 105 8.322 5.071 -15.116 1.00 1.58 N ATOM 0 H ASN A 105 5.564 1.324 -12.968 1.00 0.94 H new ATOM 0 HA ASN A 105 7.375 2.071 -14.025 1.00 1.06 H new ATOM 0 HB2 ASN A 105 5.496 4.038 -13.860 1.00 1.23 H new ATOM 0 HB3 ASN A 105 6.807 4.868 -13.046 1.00 1.23 H new ATOM 0 HD21 ASN A 105 8.752 5.318 -16.007 1.00 1.58 H new ATOM 0 HD22 ASN A 105 8.782 5.323 -14.241 1.00 1.58 H new ATOM 1140 N TRP A 106 8.669 1.925 -11.465 1.00 1.03 N ATOM 1141 CA TRP A 106 9.827 1.917 -10.564 1.00 0.99 C ATOM 1142 C TRP A 106 10.456 0.520 -10.491 1.00 1.00 C ATOM 1143 O TRP A 106 9.708 -0.454 -10.421 1.00 1.07 O ATOM 1144 CB TRP A 106 9.397 2.370 -9.157 1.00 0.98 C ATOM 1145 CG TRP A 106 10.110 3.575 -8.634 1.00 1.00 C ATOM 1146 CD1 TRP A 106 11.047 3.590 -7.657 1.00 0.99 C ATOM 1147 CD2 TRP A 106 9.928 4.966 -9.032 1.00 1.11 C ATOM 1148 NE1 TRP A 106 11.425 4.892 -7.400 1.00 1.09 N ATOM 1149 CE2 TRP A 106 10.788 5.779 -8.239 1.00 1.18 C ATOM 1150 CE3 TRP A 106 9.111 5.626 -9.977 1.00 1.23 C ATOM 1151 CZ2 TRP A 106 10.849 7.171 -8.384 1.00 1.37 C ATOM 1152 CZ3 TRP A 106 9.179 7.021 -10.147 1.00 1.42 C ATOM 1153 CH2 TRP A 106 10.052 7.792 -9.361 1.00 1.50 C ATOM 0 H TRP A 106 8.024 1.158 -11.275 1.00 1.03 H new ATOM 0 HA TRP A 106 10.572 2.609 -10.957 1.00 0.99 H new ATOM 0 HB2 TRP A 106 8.327 2.577 -9.170 1.00 0.98 H new ATOM 0 HB3 TRP A 106 9.553 1.544 -8.463 1.00 0.98 H new ATOM 0 HD1 TRP A 106 11.438 2.717 -7.156 1.00 0.99 H new ATOM 0 HE1 TRP A 106 12.093 5.164 -6.679 1.00 1.09 H new ATOM 0 HE3 TRP A 106 8.423 5.050 -10.579 1.00 1.23 H new ATOM 0 HZ2 TRP A 106 11.500 7.759 -7.754 1.00 1.37 H new ATOM 0 HZ3 TRP A 106 8.556 7.502 -10.886 1.00 1.42 H new ATOM 0 HH2 TRP A 106 10.110 8.860 -9.507 1.00 1.50 H new ATOM 1164 N PRO A 107 11.792 0.385 -10.407 1.00 0.99 N ATOM 1165 CA PRO A 107 12.434 -0.924 -10.284 1.00 1.04 C ATOM 1166 C PRO A 107 12.104 -1.635 -8.961 1.00 1.04 C ATOM 1167 O PRO A 107 11.887 -2.841 -8.977 1.00 1.15 O ATOM 1168 CB PRO A 107 13.934 -0.668 -10.462 1.00 1.09 C ATOM 1169 CG PRO A 107 14.102 0.803 -10.084 1.00 1.08 C ATOM 1170 CD PRO A 107 12.784 1.443 -10.504 1.00 0.98 C ATOM 0 HA PRO A 107 12.060 -1.612 -11.042 1.00 1.04 H new ATOM 0 HB2 PRO A 107 14.529 -1.316 -9.819 1.00 1.09 H new ATOM 0 HB3 PRO A 107 14.253 -0.856 -11.487 1.00 1.09 H new ATOM 0 HG2 PRO A 107 14.282 0.923 -9.016 1.00 1.08 H new ATOM 0 HG3 PRO A 107 14.948 1.254 -10.602 1.00 1.08 H new ATOM 0 HD2 PRO A 107 12.530 2.281 -9.855 1.00 0.98 H new ATOM 0 HD3 PRO A 107 12.843 1.834 -11.520 1.00 0.98 H new ATOM 1178 N THR A 108 12.017 -0.923 -7.826 1.00 0.99 N ATOM 1179 CA THR A 108 11.508 -1.493 -6.556 1.00 1.17 C ATOM 1180 C THR A 108 11.263 -0.429 -5.472 1.00 1.01 C ATOM 1181 O THR A 108 12.167 0.265 -5.006 1.00 1.49 O ATOM 1182 CB THR A 108 12.410 -2.628 -6.021 1.00 1.68 C ATOM 1183 OG1 THR A 108 11.862 -3.195 -4.854 1.00 2.64 O ATOM 1184 CG2 THR A 108 13.836 -2.208 -5.710 1.00 2.14 C ATOM 0 H THR A 108 12.294 0.056 -7.756 1.00 0.99 H new ATOM 0 HA THR A 108 10.538 -1.925 -6.801 1.00 1.17 H new ATOM 0 HB THR A 108 12.450 -3.350 -6.837 1.00 1.68 H new ATOM 0 HG1 THR A 108 12.447 -3.912 -4.533 1.00 2.64 H new ATOM 0 HG21 THR A 108 14.396 -3.067 -5.341 1.00 2.14 H new ATOM 0 HG22 THR A 108 14.309 -1.829 -6.616 1.00 2.14 H new ATOM 0 HG23 THR A 108 13.828 -1.426 -4.950 1.00 2.14 H new ATOM 1192 N ILE A 109 10.000 -0.273 -5.085 1.00 0.85 N ATOM 1193 CA ILE A 109 9.482 0.397 -3.898 1.00 0.71 C ATOM 1194 C ILE A 109 8.268 -0.374 -3.340 1.00 0.75 C ATOM 1195 O ILE A 109 7.392 -0.735 -4.137 1.00 1.27 O ATOM 1196 CB ILE A 109 9.095 1.835 -4.193 1.00 1.00 C ATOM 1197 CG1 ILE A 109 8.313 2.025 -5.502 1.00 2.58 C ATOM 1198 CG2 ILE A 109 10.289 2.799 -4.107 1.00 2.27 C ATOM 1199 CD1 ILE A 109 7.180 2.991 -5.209 1.00 4.27 C ATOM 0 H ILE A 109 9.240 -0.650 -5.651 1.00 0.85 H new ATOM 0 HA ILE A 109 10.275 0.411 -3.151 1.00 0.71 H new ATOM 0 HB ILE A 109 8.401 2.096 -3.394 1.00 1.00 H new ATOM 0 HG12 ILE A 109 8.962 2.418 -6.285 1.00 2.58 H new ATOM 0 HG13 ILE A 109 7.924 1.072 -5.860 1.00 2.58 H new ATOM 0 HG21 ILE A 109 9.955 3.813 -4.327 1.00 2.27 H new ATOM 0 HG22 ILE A 109 10.712 2.766 -3.103 1.00 2.27 H new ATOM 0 HG23 ILE A 109 11.049 2.503 -4.830 1.00 2.27 H new ATOM 0 HD11 ILE A 109 6.597 3.154 -6.116 1.00 4.27 H new ATOM 0 HD12 ILE A 109 6.537 2.573 -4.435 1.00 4.27 H new ATOM 0 HD13 ILE A 109 7.591 3.941 -4.866 1.00 4.27 H new ATOM 1211 N PRO A 110 8.125 -0.578 -2.016 1.00 0.63 N ATOM 1212 CA PRO A 110 6.878 -1.063 -1.446 1.00 0.63 C ATOM 1213 C PRO A 110 5.900 0.105 -1.221 1.00 0.53 C ATOM 1214 O PRO A 110 6.319 1.237 -0.954 1.00 0.62 O ATOM 1215 CB PRO A 110 7.287 -1.784 -0.170 1.00 1.04 C ATOM 1216 CG PRO A 110 8.468 -0.979 0.329 1.00 0.62 C ATOM 1217 CD PRO A 110 9.106 -0.404 -0.950 1.00 0.74 C ATOM 0 HA PRO A 110 6.336 -1.745 -2.100 1.00 0.63 H new ATOM 0 HB2 PRO A 110 6.476 -1.801 0.559 1.00 1.04 H new ATOM 0 HB3 PRO A 110 7.562 -2.821 -0.365 1.00 1.04 H new ATOM 0 HG2 PRO A 110 8.151 -0.186 1.006 1.00 0.62 H new ATOM 0 HG3 PRO A 110 9.172 -1.604 0.878 1.00 0.62 H new ATOM 0 HD2 PRO A 110 9.355 0.649 -0.820 1.00 0.74 H new ATOM 0 HD3 PRO A 110 10.034 -0.924 -1.188 1.00 0.74 H new ATOM 1225 N GLN A 111 4.598 -0.139 -1.394 1.00 0.54 N ATOM 1226 CA GLN A 111 3.615 0.917 -1.654 1.00 0.62 C ATOM 1227 C GLN A 111 2.192 0.490 -1.265 1.00 0.36 C ATOM 1228 O GLN A 111 1.968 -0.644 -0.832 1.00 0.33 O ATOM 1229 CB GLN A 111 3.724 1.287 -3.146 1.00 0.98 C ATOM 1230 CG GLN A 111 3.453 0.128 -4.121 1.00 1.22 C ATOM 1231 CD GLN A 111 3.973 0.464 -5.508 1.00 1.10 C ATOM 1232 OE1 GLN A 111 3.293 1.067 -6.318 1.00 2.20 O ATOM 1233 NE2 GLN A 111 5.206 0.143 -5.833 1.00 1.47 N ATOM 0 H GLN A 111 4.195 -1.075 -1.358 1.00 0.54 H new ATOM 0 HA GLN A 111 3.828 1.789 -1.036 1.00 0.62 H new ATOM 0 HB2 GLN A 111 3.021 2.093 -3.358 1.00 0.98 H new ATOM 0 HB3 GLN A 111 4.724 1.677 -3.337 1.00 0.98 H new ATOM 0 HG2 GLN A 111 3.933 -0.780 -3.757 1.00 1.22 H new ATOM 0 HG3 GLN A 111 2.383 -0.073 -4.167 1.00 1.22 H new ATOM 0 HE21 GLN A 111 5.793 -0.362 -5.169 1.00 1.47 H new ATOM 0 HE22 GLN A 111 5.575 0.399 -6.749 1.00 1.47 H new ATOM 1242 N VAL A 112 1.215 1.387 -1.411 1.00 0.36 N ATOM 1243 CA VAL A 112 -0.205 1.078 -1.220 1.00 0.37 C ATOM 1244 C VAL A 112 -1.027 1.698 -2.357 1.00 0.51 C ATOM 1245 O VAL A 112 -0.538 2.587 -3.045 1.00 0.92 O ATOM 1246 CB VAL A 112 -0.618 1.434 0.227 1.00 0.35 C ATOM 1247 CG1 VAL A 112 -0.435 2.900 0.634 1.00 0.40 C ATOM 1248 CG2 VAL A 112 -2.034 0.983 0.592 1.00 0.37 C ATOM 0 H VAL A 112 1.388 2.359 -1.668 1.00 0.36 H new ATOM 0 HA VAL A 112 -0.414 0.011 -1.301 1.00 0.37 H new ATOM 0 HB VAL A 112 0.103 0.856 0.805 1.00 0.35 H new ATOM 0 HG11 VAL A 112 -0.756 3.034 1.667 1.00 0.40 H new ATOM 0 HG12 VAL A 112 0.616 3.175 0.542 1.00 0.40 H new ATOM 0 HG13 VAL A 112 -1.034 3.536 -0.017 1.00 0.40 H new ATOM 0 HG21 VAL A 112 -2.252 1.267 1.621 1.00 0.37 H new ATOM 0 HG22 VAL A 112 -2.751 1.460 -0.076 1.00 0.37 H new ATOM 0 HG23 VAL A 112 -2.108 -0.100 0.491 1.00 0.37 H new ATOM 1258 N TYR A 113 -2.209 1.168 -2.658 1.00 0.34 N ATOM 1259 CA TYR A 113 -3.305 1.861 -3.359 1.00 0.28 C ATOM 1260 C TYR A 113 -4.570 1.885 -2.495 1.00 0.27 C ATOM 1261 O TYR A 113 -4.900 0.896 -1.835 1.00 0.31 O ATOM 1262 CB TYR A 113 -3.600 1.190 -4.709 1.00 0.37 C ATOM 1263 CG TYR A 113 -2.469 1.320 -5.705 1.00 0.53 C ATOM 1264 CD1 TYR A 113 -1.303 0.563 -5.517 1.00 1.12 C ATOM 1265 CD2 TYR A 113 -2.561 2.204 -6.798 1.00 1.81 C ATOM 1266 CE1 TYR A 113 -0.207 0.721 -6.372 1.00 1.10 C ATOM 1267 CE2 TYR A 113 -1.469 2.349 -7.676 1.00 1.97 C ATOM 1268 CZ TYR A 113 -0.279 1.617 -7.461 1.00 0.90 C ATOM 1269 OH TYR A 113 0.789 1.799 -8.282 1.00 1.10 O ATOM 0 H TYR A 113 -2.447 0.207 -2.414 1.00 0.34 H new ATOM 0 HA TYR A 113 -2.989 2.888 -3.544 1.00 0.28 H new ATOM 0 HB2 TYR A 113 -3.808 0.133 -4.543 1.00 0.37 H new ATOM 0 HB3 TYR A 113 -4.502 1.629 -5.135 1.00 0.37 H new ATOM 0 HD1 TYR A 113 -1.251 -0.148 -4.705 1.00 1.12 H new ATOM 0 HD2 TYR A 113 -3.467 2.769 -6.962 1.00 1.81 H new ATOM 0 HE1 TYR A 113 0.697 0.156 -6.199 1.00 1.10 H new ATOM 0 HE2 TYR A 113 -1.541 3.022 -8.517 1.00 1.97 H new ATOM 0 HH TYR A 113 1.616 1.621 -7.787 1.00 1.10 H new ATOM 1279 N LEU A 114 -5.292 3.010 -2.529 1.00 0.27 N ATOM 1280 CA LEU A 114 -6.596 3.183 -1.886 1.00 0.29 C ATOM 1281 C LEU A 114 -7.687 3.330 -2.940 1.00 0.35 C ATOM 1282 O LEU A 114 -7.607 4.204 -3.800 1.00 0.39 O ATOM 1283 CB LEU A 114 -6.609 4.359 -0.897 1.00 0.32 C ATOM 1284 CG LEU A 114 -6.301 3.935 0.550 1.00 0.36 C ATOM 1285 CD1 LEU A 114 -4.917 3.326 0.710 1.00 0.37 C ATOM 1286 CD2 LEU A 114 -6.463 5.142 1.470 1.00 0.49 C ATOM 0 H LEU A 114 -4.976 3.847 -3.018 1.00 0.27 H new ATOM 0 HA LEU A 114 -6.796 2.287 -1.299 1.00 0.29 H new ATOM 0 HB2 LEU A 114 -5.877 5.102 -1.215 1.00 0.32 H new ATOM 0 HB3 LEU A 114 -7.586 4.841 -0.928 1.00 0.32 H new ATOM 0 HG LEU A 114 -7.010 3.153 0.823 1.00 0.36 H new ATOM 0 HD11 LEU A 114 -4.760 3.048 1.752 1.00 0.37 H new ATOM 0 HD12 LEU A 114 -4.835 2.439 0.081 1.00 0.37 H new ATOM 0 HD13 LEU A 114 -4.163 4.054 0.411 1.00 0.37 H new ATOM 0 HD21 LEU A 114 -6.246 4.848 2.497 1.00 0.49 H new ATOM 0 HD22 LEU A 114 -5.773 5.928 1.164 1.00 0.49 H new ATOM 0 HD23 LEU A 114 -7.486 5.513 1.407 1.00 0.49 H new ATOM 1298 N ASN A 115 -8.720 2.495 -2.838 1.00 0.38 N ATOM 1299 CA ASN A 115 -9.885 2.503 -3.743 1.00 0.42 C ATOM 1300 C ASN A 115 -9.504 2.274 -5.231 1.00 0.45 C ATOM 1301 O ASN A 115 -10.054 2.894 -6.144 1.00 0.54 O ATOM 1302 CB ASN A 115 -10.694 3.783 -3.483 1.00 0.45 C ATOM 1303 CG ASN A 115 -12.191 3.588 -3.618 1.00 0.55 C ATOM 1304 OD1 ASN A 115 -12.711 2.512 -3.893 1.00 0.64 O ATOM 1305 ND2 ASN A 115 -12.945 4.614 -3.343 1.00 0.67 N ATOM 0 H ASN A 115 -8.779 1.779 -2.114 1.00 0.38 H new ATOM 0 HA ASN A 115 -10.524 1.648 -3.522 1.00 0.42 H new ATOM 0 HB2 ASN A 115 -10.472 4.147 -2.480 1.00 0.45 H new ATOM 0 HB3 ASN A 115 -10.372 4.556 -4.181 1.00 0.45 H new ATOM 0 HD21 ASN A 115 -13.960 4.519 -3.357 1.00 0.67 H new ATOM 0 HD22 ASN A 115 -12.520 5.512 -3.113 1.00 0.67 H new ATOM 1312 N GLY A 116 -8.472 1.452 -5.456 1.00 0.44 N ATOM 1313 CA GLY A 116 -7.762 1.256 -6.722 1.00 0.47 C ATOM 1314 C GLY A 116 -6.832 2.389 -7.194 1.00 0.45 C ATOM 1315 O GLY A 116 -6.267 2.283 -8.285 1.00 0.57 O ATOM 0 H GLY A 116 -8.088 0.871 -4.711 1.00 0.44 H new ATOM 0 HA2 GLY A 116 -7.169 0.346 -6.638 1.00 0.47 H new ATOM 0 HA3 GLY A 116 -8.504 1.082 -7.501 1.00 0.47 H new ATOM 1319 N GLU A 117 -6.673 3.474 -6.430 1.00 0.40 N ATOM 1320 CA GLU A 117 -5.992 4.711 -6.838 1.00 0.47 C ATOM 1321 C GLU A 117 -4.788 5.055 -5.946 1.00 0.56 C ATOM 1322 O GLU A 117 -4.725 4.732 -4.758 1.00 0.54 O ATOM 1323 CB GLU A 117 -7.018 5.848 -6.957 1.00 0.58 C ATOM 1324 CG GLU A 117 -6.386 7.170 -7.359 1.00 0.72 C ATOM 1325 CD GLU A 117 -7.391 8.245 -7.772 1.00 0.95 C ATOM 1326 OE1 GLU A 117 -8.384 8.493 -7.045 1.00 1.75 O ATOM 1327 OE2 GLU A 117 -7.170 8.887 -8.828 1.00 1.98 O ATOM 0 H GLU A 117 -7.027 3.519 -5.475 1.00 0.40 H new ATOM 0 HA GLU A 117 -5.552 4.557 -7.823 1.00 0.47 H new ATOM 0 HB2 GLU A 117 -7.774 5.573 -7.692 1.00 0.58 H new ATOM 0 HB3 GLU A 117 -7.530 5.970 -6.003 1.00 0.58 H new ATOM 0 HG2 GLU A 117 -5.792 7.545 -6.525 1.00 0.72 H new ATOM 0 HG3 GLU A 117 -5.698 6.994 -8.186 1.00 0.72 H new ATOM 1334 N PHE A 118 -3.789 5.686 -6.561 1.00 0.72 N ATOM 1335 CA PHE A 118 -2.488 5.932 -5.963 1.00 0.80 C ATOM 1336 C PHE A 118 -2.385 7.091 -4.981 1.00 0.84 C ATOM 1337 O PHE A 118 -3.089 8.104 -5.004 1.00 1.09 O ATOM 1338 CB PHE A 118 -1.359 5.937 -6.992 1.00 0.93 C ATOM 1339 CG PHE A 118 0.016 5.571 -6.449 1.00 1.00 C ATOM 1340 CD1 PHE A 118 0.184 4.414 -5.665 1.00 2.22 C ATOM 1341 CD2 PHE A 118 1.150 6.327 -6.798 1.00 1.87 C ATOM 1342 CE1 PHE A 118 1.469 3.942 -5.360 1.00 2.58 C ATOM 1343 CE2 PHE A 118 2.438 5.845 -6.511 1.00 1.78 C ATOM 1344 CZ PHE A 118 2.601 4.638 -5.811 1.00 1.57 C ATOM 0 H PHE A 118 -3.869 6.047 -7.512 1.00 0.72 H new ATOM 0 HA PHE A 118 -2.358 5.062 -5.319 1.00 0.80 H new ATOM 0 HB2 PHE A 118 -1.614 5.240 -7.790 1.00 0.93 H new ATOM 0 HB3 PHE A 118 -1.302 6.929 -7.441 1.00 0.93 H new ATOM 0 HD1 PHE A 118 -0.683 3.886 -5.296 1.00 2.22 H new ATOM 0 HD2 PHE A 118 1.030 7.282 -7.288 1.00 1.87 H new ATOM 0 HE1 PHE A 118 1.588 3.041 -4.777 1.00 2.58 H new ATOM 0 HE2 PHE A 118 3.305 6.404 -6.829 1.00 1.78 H new ATOM 0 HZ PHE A 118 3.590 4.249 -5.621 1.00 1.57 H new ATOM 1354 N VAL A 119 -1.485 6.803 -4.060 1.00 0.63 N ATOM 1355 CA VAL A 119 -1.302 7.331 -2.725 1.00 0.68 C ATOM 1356 C VAL A 119 0.202 7.542 -2.526 1.00 0.72 C ATOM 1357 O VAL A 119 0.643 8.670 -2.319 1.00 0.97 O ATOM 1358 CB VAL A 119 -1.924 6.341 -1.721 1.00 1.11 C ATOM 1359 CG1 VAL A 119 -3.418 6.583 -1.501 1.00 1.12 C ATOM 1360 CG2 VAL A 119 -1.834 4.892 -2.110 1.00 2.67 C ATOM 0 H VAL A 119 -0.773 6.101 -4.260 1.00 0.63 H new ATOM 0 HA VAL A 119 -1.800 8.288 -2.570 1.00 0.68 H new ATOM 0 HB VAL A 119 -1.327 6.531 -0.829 1.00 1.11 H new ATOM 0 HG11 VAL A 119 -3.803 5.857 -0.785 1.00 1.12 H new ATOM 0 HG12 VAL A 119 -3.570 7.590 -1.114 1.00 1.12 H new ATOM 0 HG13 VAL A 119 -3.947 6.474 -2.448 1.00 1.12 H new ATOM 0 HG21 VAL A 119 -2.300 4.279 -1.339 1.00 2.67 H new ATOM 0 HG22 VAL A 119 -2.350 4.737 -3.058 1.00 2.67 H new ATOM 0 HG23 VAL A 119 -0.787 4.608 -2.216 1.00 2.67 H new ATOM 1370 N GLY A 120 0.997 6.494 -2.761 1.00 0.68 N ATOM 1371 CA GLY A 120 2.441 6.587 -3.000 1.00 0.80 C ATOM 1372 C GLY A 120 3.263 5.391 -2.505 1.00 0.55 C ATOM 1373 O GLY A 120 2.743 4.474 -1.860 1.00 0.52 O ATOM 0 H GLY A 120 0.647 5.536 -2.791 1.00 0.68 H new ATOM 0 HA2 GLY A 120 2.609 6.705 -4.071 1.00 0.80 H new ATOM 0 HA3 GLY A 120 2.816 7.490 -2.517 1.00 0.80 H new ATOM 1377 N GLY A 121 4.562 5.418 -2.811 1.00 0.57 N ATOM 1378 CA GLY A 121 5.578 4.550 -2.206 1.00 0.46 C ATOM 1379 C GLY A 121 5.883 4.915 -0.749 1.00 0.37 C ATOM 1380 O GLY A 121 5.418 5.936 -0.239 1.00 0.36 O ATOM 0 H GLY A 121 4.947 6.060 -3.504 1.00 0.57 H new ATOM 0 HA2 GLY A 121 5.239 3.515 -2.253 1.00 0.46 H new ATOM 0 HA3 GLY A 121 6.496 4.611 -2.791 1.00 0.46 H new ATOM 1384 N CYS A 122 6.677 4.089 -0.061 1.00 0.37 N ATOM 1385 CA CYS A 122 6.996 4.288 1.357 1.00 0.36 C ATOM 1386 C CYS A 122 7.585 5.673 1.681 1.00 0.42 C ATOM 1387 O CYS A 122 7.238 6.241 2.717 1.00 0.57 O ATOM 1388 CB CYS A 122 7.951 3.175 1.813 1.00 0.48 C ATOM 1389 SG CYS A 122 8.307 3.319 3.594 1.00 0.77 S ATOM 0 H CYS A 122 7.116 3.264 -0.470 1.00 0.37 H new ATOM 0 HA CYS A 122 6.055 4.241 1.906 1.00 0.36 H new ATOM 0 HB2 CYS A 122 7.508 2.201 1.603 1.00 0.48 H new ATOM 0 HB3 CYS A 122 8.880 3.232 1.246 1.00 0.48 H new ATOM 0 HG CYS A 122 9.115 2.366 3.954 1.00 0.77 H new ATOM 1395 N ASP A 123 8.429 6.252 0.820 1.00 0.45 N ATOM 1396 CA ASP A 123 8.994 7.587 1.066 1.00 0.51 C ATOM 1397 C ASP A 123 7.927 8.690 0.975 1.00 0.49 C ATOM 1398 O ASP A 123 8.003 9.670 1.711 1.00 0.62 O ATOM 1399 CB ASP A 123 10.146 7.857 0.087 1.00 0.66 C ATOM 1400 CG ASP A 123 11.058 9.010 0.534 1.00 1.05 C ATOM 1401 OD1 ASP A 123 11.448 9.065 1.726 1.00 2.22 O ATOM 1402 OD2 ASP A 123 11.467 9.828 -0.325 1.00 1.85 O ATOM 0 H ASP A 123 8.736 5.820 -0.051 1.00 0.45 H new ATOM 0 HA ASP A 123 9.381 7.604 2.085 1.00 0.51 H new ATOM 0 HB2 ASP A 123 10.742 6.951 -0.022 1.00 0.66 H new ATOM 0 HB3 ASP A 123 9.734 8.087 -0.895 1.00 0.66 H new ATOM 1407 N ILE A 124 6.896 8.505 0.141 1.00 0.41 N ATOM 1408 CA ILE A 124 5.746 9.420 0.017 1.00 0.41 C ATOM 1409 C ILE A 124 4.810 9.264 1.211 1.00 0.36 C ATOM 1410 O ILE A 124 4.394 10.249 1.820 1.00 0.37 O ATOM 1411 CB ILE A 124 4.996 9.186 -1.306 1.00 0.43 C ATOM 1412 CG1 ILE A 124 5.890 9.490 -2.517 1.00 0.49 C ATOM 1413 CG2 ILE A 124 3.700 10.021 -1.358 1.00 0.45 C ATOM 1414 CD1 ILE A 124 6.450 10.914 -2.625 1.00 1.12 C ATOM 0 H ILE A 124 6.833 7.699 -0.481 1.00 0.41 H new ATOM 0 HA ILE A 124 6.122 10.443 0.009 1.00 0.41 H new ATOM 0 HB ILE A 124 4.725 8.131 -1.350 1.00 0.43 H new ATOM 0 HG12 ILE A 124 6.730 8.795 -2.502 1.00 0.49 H new ATOM 0 HG13 ILE A 124 5.319 9.280 -3.422 1.00 0.49 H new ATOM 0 HG21 ILE A 124 3.187 9.839 -2.303 1.00 0.45 H new ATOM 0 HG22 ILE A 124 3.050 9.735 -0.531 1.00 0.45 H new ATOM 0 HG23 ILE A 124 3.946 11.080 -1.277 1.00 0.45 H new ATOM 0 HD11 ILE A 124 7.063 10.997 -3.522 1.00 1.12 H new ATOM 0 HD12 ILE A 124 5.626 11.626 -2.682 1.00 1.12 H new ATOM 0 HD13 ILE A 124 7.059 11.133 -1.748 1.00 1.12 H new ATOM 1426 N LEU A 125 4.533 8.020 1.604 1.00 0.33 N ATOM 1427 CA LEU A 125 3.751 7.709 2.803 1.00 0.30 C ATOM 1428 C LEU A 125 4.350 8.374 4.063 1.00 0.34 C ATOM 1429 O LEU A 125 3.605 8.848 4.921 1.00 0.36 O ATOM 1430 CB LEU A 125 3.671 6.175 2.947 1.00 0.29 C ATOM 1431 CG LEU A 125 2.427 5.709 3.724 1.00 0.34 C ATOM 1432 CD1 LEU A 125 1.169 5.771 2.856 1.00 0.44 C ATOM 1433 CD2 LEU A 125 2.594 4.262 4.182 1.00 0.38 C ATOM 0 H LEU A 125 4.847 7.193 1.096 1.00 0.33 H new ATOM 0 HA LEU A 125 2.745 8.116 2.699 1.00 0.30 H new ATOM 0 HB2 LEU A 125 3.664 5.722 1.956 1.00 0.29 H new ATOM 0 HB3 LEU A 125 4.566 5.816 3.455 1.00 0.29 H new ATOM 0 HG LEU A 125 2.322 6.378 4.578 1.00 0.34 H new ATOM 0 HD11 LEU A 125 0.310 5.435 3.436 1.00 0.44 H new ATOM 0 HD12 LEU A 125 1.005 6.797 2.526 1.00 0.44 H new ATOM 0 HD13 LEU A 125 1.295 5.125 1.987 1.00 0.44 H new ATOM 0 HD21 LEU A 125 1.705 3.949 4.730 1.00 0.38 H new ATOM 0 HD22 LEU A 125 2.730 3.619 3.313 1.00 0.38 H new ATOM 0 HD23 LEU A 125 3.466 4.184 4.831 1.00 0.38 H new ATOM 1445 N LEU A 126 5.681 8.498 4.120 1.00 0.38 N ATOM 1446 CA LEU A 126 6.441 9.164 5.189 1.00 0.47 C ATOM 1447 C LEU A 126 6.279 10.688 5.207 1.00 0.53 C ATOM 1448 O LEU A 126 6.502 11.313 6.242 1.00 0.75 O ATOM 1449 CB LEU A 126 7.937 8.777 5.072 1.00 0.53 C ATOM 1450 CG LEU A 126 8.489 7.888 6.198 1.00 0.81 C ATOM 1451 CD1 LEU A 126 8.528 8.622 7.538 1.00 1.04 C ATOM 1452 CD2 LEU A 126 7.664 6.619 6.378 1.00 1.09 C ATOM 0 H LEU A 126 6.286 8.121 3.391 1.00 0.38 H new ATOM 0 HA LEU A 126 6.030 8.814 6.136 1.00 0.47 H new ATOM 0 HB2 LEU A 126 8.086 8.263 4.123 1.00 0.53 H new ATOM 0 HB3 LEU A 126 8.528 9.692 5.035 1.00 0.53 H new ATOM 0 HG LEU A 126 9.502 7.626 5.894 1.00 0.81 H new ATOM 0 HD11 LEU A 126 8.924 7.957 8.306 1.00 1.04 H new ATOM 0 HD12 LEU A 126 9.168 9.501 7.453 1.00 1.04 H new ATOM 0 HD13 LEU A 126 7.520 8.932 7.812 1.00 1.04 H new ATOM 0 HD21 LEU A 126 8.089 6.020 7.183 1.00 1.09 H new ATOM 0 HD22 LEU A 126 6.637 6.885 6.627 1.00 1.09 H new ATOM 0 HD23 LEU A 126 7.676 6.043 5.453 1.00 1.09 H new ATOM 1464 N GLN A 127 5.846 11.291 4.103 1.00 0.43 N ATOM 1465 CA GLN A 127 5.415 12.681 4.058 1.00 0.45 C ATOM 1466 C GLN A 127 3.955 12.776 4.510 1.00 0.42 C ATOM 1467 O GLN A 127 3.621 13.465 5.479 1.00 0.48 O ATOM 1468 CB GLN A 127 5.559 13.205 2.621 1.00 0.49 C ATOM 1469 CG GLN A 127 6.872 12.817 1.927 1.00 0.57 C ATOM 1470 CD GLN A 127 8.099 13.018 2.806 1.00 0.64 C ATOM 1471 OE1 GLN A 127 8.400 14.121 3.243 1.00 0.78 O ATOM 1472 NE2 GLN A 127 8.794 11.955 3.135 1.00 0.64 N ATOM 0 H GLN A 127 5.785 10.818 3.201 1.00 0.43 H new ATOM 0 HA GLN A 127 6.032 13.284 4.724 1.00 0.45 H new ATOM 0 HB2 GLN A 127 4.725 12.831 2.027 1.00 0.49 H new ATOM 0 HB3 GLN A 127 5.478 14.292 2.635 1.00 0.49 H new ATOM 0 HG2 GLN A 127 6.819 11.772 1.622 1.00 0.57 H new ATOM 0 HG3 GLN A 127 6.983 13.409 1.018 1.00 0.57 H new ATOM 0 HE21 GLN A 127 8.534 11.041 2.765 1.00 0.64 H new ATOM 0 HE22 GLN A 127 9.594 12.043 3.761 1.00 0.64 H new ATOM 1481 N MET A 128 3.090 12.009 3.844 1.00 0.39 N ATOM 1482 CA MET A 128 1.644 12.151 3.913 1.00 0.38 C ATOM 1483 C MET A 128 1.045 11.728 5.252 1.00 0.37 C ATOM 1484 O MET A 128 0.039 12.299 5.670 1.00 0.40 O ATOM 1485 CB MET A 128 1.048 11.285 2.812 1.00 0.36 C ATOM 1486 CG MET A 128 1.376 11.787 1.404 1.00 0.39 C ATOM 1487 SD MET A 128 0.468 10.889 0.126 1.00 0.43 S ATOM 1488 CE MET A 128 -1.163 11.563 0.482 1.00 0.45 C ATOM 0 H MET A 128 3.389 11.254 3.227 1.00 0.39 H new ATOM 0 HA MET A 128 1.408 13.209 3.794 1.00 0.38 H new ATOM 0 HB2 MET A 128 1.416 10.265 2.922 1.00 0.36 H new ATOM 0 HB3 MET A 128 -0.034 11.248 2.934 1.00 0.36 H new ATOM 0 HG2 MET A 128 1.140 12.849 1.335 1.00 0.39 H new ATOM 0 HG3 MET A 128 2.446 11.686 1.225 1.00 0.39 H new ATOM 0 HE1 MET A 128 -1.872 11.217 -0.271 1.00 0.45 H new ATOM 0 HE2 MET A 128 -1.488 11.228 1.467 1.00 0.45 H new ATOM 0 HE3 MET A 128 -1.118 12.652 0.465 1.00 0.45 H new ATOM 1498 N HIS A 129 1.667 10.765 5.940 1.00 0.36 N ATOM 1499 CA HIS A 129 1.316 10.401 7.330 1.00 0.38 C ATOM 1500 C HIS A 129 1.399 11.611 8.245 1.00 0.48 C ATOM 1501 O HIS A 129 0.525 11.902 9.061 1.00 0.49 O ATOM 1502 CB HIS A 129 2.318 9.388 7.879 1.00 0.42 C ATOM 1503 CG HIS A 129 1.984 8.840 9.246 1.00 0.43 C ATOM 1504 ND1 HIS A 129 0.776 8.381 9.729 1.00 0.36 N ATOM 1505 CD2 HIS A 129 2.881 8.732 10.265 1.00 0.54 C ATOM 1506 CE1 HIS A 129 0.968 7.961 10.992 1.00 0.42 C ATOM 1507 NE2 HIS A 129 2.242 8.159 11.371 1.00 0.53 N ATOM 0 H HIS A 129 2.431 10.210 5.554 1.00 0.36 H new ATOM 0 HA HIS A 129 0.304 9.996 7.306 1.00 0.38 H new ATOM 0 HB2 HIS A 129 2.393 8.556 7.178 1.00 0.42 H new ATOM 0 HB3 HIS A 129 3.301 9.858 7.922 1.00 0.42 H new ATOM 0 HD2 HIS A 129 3.916 9.038 10.226 1.00 0.54 H new ATOM 0 HE1 HIS A 129 0.203 7.524 11.617 1.00 0.42 H new ATOM 0 HE2 HIS A 129 2.657 7.938 12.276 1.00 0.53 H new ATOM 1515 N GLN A 130 2.529 12.284 8.089 1.00 0.56 N ATOM 1516 CA GLN A 130 3.107 13.172 9.068 1.00 0.70 C ATOM 1517 C GLN A 130 2.614 14.619 8.828 1.00 0.74 C ATOM 1518 O GLN A 130 2.537 15.426 9.753 1.00 0.91 O ATOM 1519 CB GLN A 130 4.619 12.923 9.023 1.00 0.78 C ATOM 1520 CG GLN A 130 5.009 11.446 9.111 1.00 0.79 C ATOM 1521 CD GLN A 130 6.385 11.194 9.714 1.00 0.97 C ATOM 1522 OE1 GLN A 130 6.528 10.787 10.862 1.00 1.19 O ATOM 1523 NE2 GLN A 130 7.445 11.422 8.979 1.00 1.00 N ATOM 0 H GLN A 130 3.087 12.219 7.238 1.00 0.56 H new ATOM 0 HA GLN A 130 2.790 12.985 10.094 1.00 0.70 H new ATOM 0 HB2 GLN A 130 5.018 13.339 8.098 1.00 0.78 H new ATOM 0 HB3 GLN A 130 5.090 13.462 9.845 1.00 0.78 H new ATOM 0 HG2 GLN A 130 4.263 10.920 9.707 1.00 0.79 H new ATOM 0 HG3 GLN A 130 4.980 11.015 8.110 1.00 0.79 H new ATOM 0 HE21 GLN A 130 7.339 11.761 8.023 1.00 1.00 H new ATOM 0 HE22 GLN A 130 8.376 11.261 9.363 1.00 1.00 H new ATOM 1532 N ASN A 131 2.146 14.909 7.602 1.00 0.63 N ATOM 1533 CA ASN A 131 1.235 16.000 7.275 1.00 0.68 C ATOM 1534 C ASN A 131 -0.244 15.656 7.587 1.00 0.77 C ATOM 1535 O ASN A 131 -0.972 16.513 8.089 1.00 1.04 O ATOM 1536 CB ASN A 131 1.493 16.354 5.814 1.00 0.63 C ATOM 1537 CG ASN A 131 0.521 17.398 5.322 1.00 1.06 C ATOM 1538 OD1 ASN A 131 0.357 18.466 5.894 1.00 2.38 O ATOM 1539 ND2 ASN A 131 -0.205 17.100 4.284 1.00 0.95 N ATOM 0 H ASN A 131 2.408 14.361 6.782 1.00 0.63 H new ATOM 0 HA ASN A 131 1.424 16.871 7.903 1.00 0.68 H new ATOM 0 HB2 ASN A 131 2.513 16.722 5.702 1.00 0.63 H new ATOM 0 HB3 ASN A 131 1.408 15.457 5.200 1.00 0.63 H new ATOM 0 HD21 ASN A 131 -0.910 17.757 3.949 1.00 0.95 H new ATOM 0 HD22 ASN A 131 -0.069 16.209 3.806 1.00 0.95 H new ATOM 1546 N GLY A 132 -0.682 14.399 7.420 1.00 0.65 N ATOM 1547 CA GLY A 132 -2.048 13.949 7.741 1.00 0.68 C ATOM 1548 C GLY A 132 -2.992 13.962 6.536 1.00 0.62 C ATOM 1549 O GLY A 132 -4.206 14.024 6.696 1.00 0.69 O ATOM 0 H GLY A 132 -0.090 13.654 7.053 1.00 0.65 H new ATOM 0 HA2 GLY A 132 -2.003 12.939 8.147 1.00 0.68 H new ATOM 0 HA3 GLY A 132 -2.459 14.589 8.522 1.00 0.68 H new ATOM 1553 N ASP A 133 -2.462 13.887 5.316 1.00 0.59 N ATOM 1554 CA ASP A 133 -3.257 13.795 4.079 1.00 0.60 C ATOM 1555 C ASP A 133 -3.798 12.377 3.811 1.00 0.52 C ATOM 1556 O ASP A 133 -4.701 12.196 2.993 1.00 0.63 O ATOM 1557 CB ASP A 133 -2.402 14.272 2.895 1.00 0.65 C ATOM 1558 CG ASP A 133 -2.992 15.486 2.169 1.00 0.82 C ATOM 1559 OD1 ASP A 133 -4.228 15.546 1.985 1.00 2.19 O ATOM 1560 OD2 ASP A 133 -2.201 16.350 1.722 1.00 1.61 O ATOM 0 H ASP A 133 -1.456 13.888 5.150 1.00 0.59 H new ATOM 0 HA ASP A 133 -4.130 14.436 4.202 1.00 0.60 H new ATOM 0 HB2 ASP A 133 -1.404 14.523 3.255 1.00 0.65 H new ATOM 0 HB3 ASP A 133 -2.289 13.453 2.185 1.00 0.65 H new ATOM 1565 N LEU A 134 -3.289 11.367 4.529 1.00 0.39 N ATOM 1566 CA LEU A 134 -3.771 9.974 4.433 1.00 0.32 C ATOM 1567 C LEU A 134 -5.150 9.840 5.081 1.00 0.34 C ATOM 1568 O LEU A 134 -5.943 8.960 4.771 1.00 0.34 O ATOM 1569 CB LEU A 134 -2.804 9.016 5.159 1.00 0.28 C ATOM 1570 CG LEU A 134 -1.362 8.987 4.634 1.00 0.28 C ATOM 1571 CD1 LEU A 134 -0.549 7.937 5.389 1.00 0.30 C ATOM 1572 CD2 LEU A 134 -1.290 8.679 3.143 1.00 0.30 C ATOM 0 H LEU A 134 -2.528 11.489 5.197 1.00 0.39 H new ATOM 0 HA LEU A 134 -3.828 9.716 3.376 1.00 0.32 H new ATOM 0 HB2 LEU A 134 -2.780 9.288 6.214 1.00 0.28 H new ATOM 0 HB3 LEU A 134 -3.211 8.007 5.099 1.00 0.28 H new ATOM 0 HG LEU A 134 -0.950 9.983 4.796 1.00 0.28 H new ATOM 0 HD11 LEU A 134 0.472 7.925 5.009 1.00 0.30 H new ATOM 0 HD12 LEU A 134 -0.538 8.180 6.451 1.00 0.30 H new ATOM 0 HD13 LEU A 134 -1.001 6.955 5.247 1.00 0.30 H new ATOM 0 HD21 LEU A 134 -0.248 8.671 2.823 1.00 0.30 H new ATOM 0 HD22 LEU A 134 -1.736 7.703 2.951 1.00 0.30 H new ATOM 0 HD23 LEU A 134 -1.834 9.443 2.587 1.00 0.30 H new ATOM 1584 N VAL A 135 -5.418 10.753 6.001 1.00 0.37 N ATOM 1585 CA VAL A 135 -6.592 10.821 6.855 1.00 0.36 C ATOM 1586 C VAL A 135 -7.782 11.296 6.040 1.00 0.38 C ATOM 1587 O VAL A 135 -8.851 10.706 6.133 1.00 0.43 O ATOM 1588 CB VAL A 135 -6.270 11.788 8.000 1.00 0.37 C ATOM 1589 CG1 VAL A 135 -7.223 11.648 9.157 1.00 0.38 C ATOM 1590 CG2 VAL A 135 -4.951 11.370 8.630 1.00 0.41 C ATOM 0 H VAL A 135 -4.773 11.522 6.183 1.00 0.37 H new ATOM 0 HA VAL A 135 -6.847 9.844 7.266 1.00 0.36 H new ATOM 0 HB VAL A 135 -6.294 12.787 7.564 1.00 0.37 H new ATOM 0 HG11 VAL A 135 -6.951 12.355 9.940 1.00 0.38 H new ATOM 0 HG12 VAL A 135 -8.238 11.854 8.819 1.00 0.38 H new ATOM 0 HG13 VAL A 135 -7.171 10.633 9.550 1.00 0.38 H new ATOM 0 HG21 VAL A 135 -4.707 12.049 9.447 1.00 0.41 H new ATOM 0 HG22 VAL A 135 -5.038 10.354 9.015 1.00 0.41 H new ATOM 0 HG23 VAL A 135 -4.161 11.407 7.880 1.00 0.41 H new ATOM 1600 N GLU A 136 -7.554 12.288 5.177 1.00 0.41 N ATOM 1601 CA GLU A 136 -8.510 12.860 4.224 1.00 0.47 C ATOM 1602 C GLU A 136 -8.764 11.901 3.035 1.00 0.48 C ATOM 1603 O GLU A 136 -9.791 11.990 2.366 1.00 0.82 O ATOM 1604 CB GLU A 136 -7.921 14.160 3.629 1.00 0.65 C ATOM 1605 CG GLU A 136 -7.157 15.104 4.570 1.00 1.21 C ATOM 1606 CD GLU A 136 -8.082 15.880 5.504 1.00 1.69 C ATOM 1607 OE1 GLU A 136 -8.521 15.314 6.531 1.00 2.42 O ATOM 1608 OE2 GLU A 136 -8.376 17.066 5.214 1.00 2.58 O ATOM 0 H GLU A 136 -6.642 12.742 5.121 1.00 0.41 H new ATOM 0 HA GLU A 136 -9.441 13.041 4.762 1.00 0.47 H new ATOM 0 HB2 GLU A 136 -7.248 13.881 2.818 1.00 0.65 H new ATOM 0 HB3 GLU A 136 -8.740 14.724 3.184 1.00 0.65 H new ATOM 0 HG2 GLU A 136 -6.450 14.525 5.164 1.00 1.21 H new ATOM 0 HG3 GLU A 136 -6.573 15.808 3.977 1.00 1.21 H new ATOM 1615 N GLU A 137 -7.831 10.978 2.764 1.00 0.43 N ATOM 1616 CA GLU A 137 -8.031 9.839 1.853 1.00 0.45 C ATOM 1617 C GLU A 137 -8.899 8.754 2.511 1.00 0.45 C ATOM 1618 O GLU A 137 -9.902 8.341 1.938 1.00 0.65 O ATOM 1619 CB GLU A 137 -6.683 9.250 1.412 1.00 0.48 C ATOM 1620 CG GLU A 137 -5.930 10.051 0.340 1.00 1.58 C ATOM 1621 CD GLU A 137 -6.547 9.955 -1.062 1.00 0.76 C ATOM 1622 OE1 GLU A 137 -7.509 10.697 -1.365 1.00 1.63 O ATOM 1623 OE2 GLU A 137 -6.028 9.197 -1.917 1.00 1.72 O ATOM 0 H GLU A 137 -6.899 11.001 3.178 1.00 0.43 H new ATOM 0 HA GLU A 137 -8.553 10.206 0.969 1.00 0.45 H new ATOM 0 HB2 GLU A 137 -6.042 9.158 2.289 1.00 0.48 H new ATOM 0 HB3 GLU A 137 -6.853 8.242 1.035 1.00 0.48 H new ATOM 0 HG2 GLU A 137 -5.898 11.098 0.640 1.00 1.58 H new ATOM 0 HG3 GLU A 137 -4.899 9.700 0.296 1.00 1.58 H new ATOM 1630 N LEU A 138 -8.581 8.339 3.746 1.00 0.37 N ATOM 1631 CA LEU A 138 -9.404 7.393 4.522 1.00 0.37 C ATOM 1632 C LEU A 138 -10.848 7.914 4.716 1.00 0.40 C ATOM 1633 O LEU A 138 -11.806 7.153 4.582 1.00 0.43 O ATOM 1634 CB LEU A 138 -8.700 7.124 5.869 1.00 0.36 C ATOM 1635 CG LEU A 138 -7.457 6.214 5.789 1.00 0.37 C ATOM 1636 CD1 LEU A 138 -6.722 6.233 7.133 1.00 0.43 C ATOM 1637 CD2 LEU A 138 -7.804 4.758 5.468 1.00 0.40 C ATOM 0 H LEU A 138 -7.743 8.650 4.238 1.00 0.37 H new ATOM 0 HA LEU A 138 -9.498 6.456 3.972 1.00 0.37 H new ATOM 0 HB2 LEU A 138 -8.404 8.079 6.303 1.00 0.36 H new ATOM 0 HB3 LEU A 138 -9.419 6.672 6.553 1.00 0.36 H new ATOM 0 HG LEU A 138 -6.837 6.605 4.982 1.00 0.37 H new ATOM 0 HD11 LEU A 138 -5.844 5.590 7.076 1.00 0.43 H new ATOM 0 HD12 LEU A 138 -6.411 7.252 7.363 1.00 0.43 H new ATOM 0 HD13 LEU A 138 -7.387 5.870 7.917 1.00 0.43 H new ATOM 0 HD21 LEU A 138 -6.889 4.167 5.425 1.00 0.40 H new ATOM 0 HD22 LEU A 138 -8.457 4.360 6.245 1.00 0.40 H new ATOM 0 HD23 LEU A 138 -8.313 4.709 4.506 1.00 0.40 H new ATOM 1649 N LYS A 139 -10.993 9.230 4.909 1.00 0.43 N ATOM 1650 CA LYS A 139 -12.237 10.034 4.888 1.00 0.57 C ATOM 1651 C LYS A 139 -13.153 9.689 3.705 1.00 0.56 C ATOM 1652 O LYS A 139 -14.328 9.366 3.901 1.00 0.64 O ATOM 1653 CB LYS A 139 -11.821 11.516 4.857 1.00 0.98 C ATOM 1654 CG LYS A 139 -12.092 12.365 6.097 1.00 1.18 C ATOM 1655 CD LYS A 139 -11.551 11.789 7.405 1.00 1.25 C ATOM 1656 CE LYS A 139 -10.590 12.685 8.196 1.00 0.69 C ATOM 1657 NZ LYS A 139 -11.225 13.918 8.727 1.00 1.09 N ATOM 0 H LYS A 139 -10.180 9.816 5.100 1.00 0.43 H new ATOM 0 HA LYS A 139 -12.825 9.810 5.778 1.00 0.57 H new ATOM 0 HB2 LYS A 139 -10.751 11.558 4.651 1.00 0.98 H new ATOM 0 HB3 LYS A 139 -12.326 11.987 4.014 1.00 0.98 H new ATOM 0 HG2 LYS A 139 -11.657 13.353 5.945 1.00 1.18 H new ATOM 0 HG3 LYS A 139 -13.169 12.503 6.196 1.00 1.18 H new ATOM 0 HD2 LYS A 139 -12.397 11.544 8.047 1.00 1.25 H new ATOM 0 HD3 LYS A 139 -11.040 10.853 7.181 1.00 1.25 H new ATOM 0 HE2 LYS A 139 -10.175 12.114 9.027 1.00 0.69 H new ATOM 0 HE3 LYS A 139 -9.755 12.965 7.553 1.00 0.69 H new ATOM 0 HZ1 LYS A 139 -10.519 14.475 9.250 1.00 1.09 H new ATOM 0 HZ2 LYS A 139 -11.597 14.484 7.938 1.00 1.09 H new ATOM 0 HZ3 LYS A 139 -12.004 13.660 9.366 1.00 1.09 H new ATOM 1671 N LYS A 140 -12.599 9.648 2.486 1.00 0.59 N ATOM 1672 CA LYS A 140 -13.333 9.339 1.245 1.00 0.68 C ATOM 1673 C LYS A 140 -13.868 7.909 1.192 1.00 0.65 C ATOM 1674 O LYS A 140 -14.895 7.690 0.556 1.00 0.76 O ATOM 1675 CB LYS A 140 -12.428 9.586 0.032 1.00 0.84 C ATOM 1676 CG LYS A 140 -12.128 11.076 -0.179 1.00 1.04 C ATOM 1677 CD LYS A 140 -10.887 11.306 -1.046 1.00 1.17 C ATOM 1678 CE LYS A 140 -10.860 10.473 -2.331 1.00 2.11 C ATOM 1679 NZ LYS A 140 -9.699 10.843 -3.166 1.00 2.15 N ATOM 0 H LYS A 140 -11.608 9.832 2.328 1.00 0.59 H new ATOM 0 HA LYS A 140 -14.198 10.002 1.226 1.00 0.68 H new ATOM 0 HB2 LYS A 140 -11.491 9.045 0.165 1.00 0.84 H new ATOM 0 HB3 LYS A 140 -12.905 9.184 -0.862 1.00 0.84 H new ATOM 0 HG2 LYS A 140 -12.988 11.554 -0.647 1.00 1.04 H new ATOM 0 HG3 LYS A 140 -11.985 11.555 0.789 1.00 1.04 H new ATOM 0 HD2 LYS A 140 -10.831 12.362 -1.309 1.00 1.17 H new ATOM 0 HD3 LYS A 140 -9.998 11.077 -0.458 1.00 1.17 H new ATOM 0 HE2 LYS A 140 -10.813 9.413 -2.083 1.00 2.11 H new ATOM 0 HE3 LYS A 140 -11.782 10.629 -2.891 1.00 2.11 H new ATOM 0 HZ1 LYS A 140 -9.609 10.170 -3.954 1.00 2.15 H new ATOM 0 HZ2 LYS A 140 -9.835 11.802 -3.544 1.00 2.15 H new ATOM 0 HZ3 LYS A 140 -8.834 10.818 -2.589 1.00 2.15 H new ATOM 1693 N LEU A 141 -13.221 6.970 1.886 1.00 0.59 N ATOM 1694 CA LEU A 141 -13.650 5.578 2.023 1.00 0.59 C ATOM 1695 C LEU A 141 -14.608 5.385 3.216 1.00 0.58 C ATOM 1696 O LEU A 141 -15.102 4.278 3.453 1.00 0.69 O ATOM 1697 CB LEU A 141 -12.386 4.713 2.176 1.00 0.57 C ATOM 1698 CG LEU A 141 -11.648 4.261 0.902 1.00 0.56 C ATOM 1699 CD1 LEU A 141 -12.516 3.384 0.000 1.00 1.15 C ATOM 1700 CD2 LEU A 141 -11.072 5.429 0.107 1.00 1.35 C ATOM 0 H LEU A 141 -12.353 7.166 2.385 1.00 0.59 H new ATOM 0 HA LEU A 141 -14.210 5.278 1.138 1.00 0.59 H new ATOM 0 HB2 LEU A 141 -11.677 5.267 2.791 1.00 0.57 H new ATOM 0 HB3 LEU A 141 -12.662 3.819 2.735 1.00 0.57 H new ATOM 0 HG LEU A 141 -10.813 3.656 1.256 1.00 0.56 H new ATOM 0 HD11 LEU A 141 -11.946 3.094 -0.883 1.00 1.15 H new ATOM 0 HD12 LEU A 141 -12.820 2.490 0.545 1.00 1.15 H new ATOM 0 HD13 LEU A 141 -13.401 3.941 -0.306 1.00 1.15 H new ATOM 0 HD21 LEU A 141 -10.564 5.050 -0.780 1.00 1.35 H new ATOM 0 HD22 LEU A 141 -11.879 6.097 -0.195 1.00 1.35 H new ATOM 0 HD23 LEU A 141 -10.361 5.976 0.727 1.00 1.35 H new ATOM 1712 N GLY A 142 -14.822 6.446 4.004 1.00 0.52 N ATOM 1713 CA GLY A 142 -15.548 6.439 5.271 1.00 0.54 C ATOM 1714 C GLY A 142 -14.763 5.860 6.453 1.00 0.51 C ATOM 1715 O GLY A 142 -15.315 5.772 7.552 1.00 0.67 O ATOM 0 H GLY A 142 -14.476 7.374 3.760 1.00 0.52 H new ATOM 0 HA2 GLY A 142 -15.841 7.461 5.512 1.00 0.54 H new ATOM 0 HA3 GLY A 142 -16.466 5.865 5.145 1.00 0.54 H new ATOM 1719 N ILE A 143 -13.496 5.476 6.256 1.00 0.40 N ATOM 1720 CA ILE A 143 -12.681 4.826 7.282 1.00 0.42 C ATOM 1721 C ILE A 143 -12.204 5.839 8.327 1.00 0.46 C ATOM 1722 O ILE A 143 -11.616 6.879 8.019 1.00 0.56 O ATOM 1723 CB ILE A 143 -11.483 4.036 6.702 1.00 0.44 C ATOM 1724 CG1 ILE A 143 -11.916 2.961 5.678 1.00 0.47 C ATOM 1725 CG2 ILE A 143 -10.746 3.379 7.890 1.00 0.53 C ATOM 1726 CD1 ILE A 143 -10.755 2.344 4.871 1.00 0.52 C ATOM 0 H ILE A 143 -13.006 5.610 5.371 1.00 0.40 H new ATOM 0 HA ILE A 143 -13.329 4.095 7.765 1.00 0.42 H new ATOM 0 HB ILE A 143 -10.833 4.723 6.160 1.00 0.44 H new ATOM 0 HG12 ILE A 143 -12.439 2.164 6.206 1.00 0.47 H new ATOM 0 HG13 ILE A 143 -12.629 3.405 4.984 1.00 0.47 H new ATOM 0 HG21 ILE A 143 -9.892 2.811 7.520 1.00 0.53 H new ATOM 0 HG22 ILE A 143 -10.398 4.152 8.575 1.00 0.53 H new ATOM 0 HG23 ILE A 143 -11.427 2.709 8.415 1.00 0.53 H new ATOM 0 HD11 ILE A 143 -11.149 1.601 4.178 1.00 0.52 H new ATOM 0 HD12 ILE A 143 -10.244 3.128 4.311 1.00 0.52 H new ATOM 0 HD13 ILE A 143 -10.051 1.867 5.553 1.00 0.52 H new ATOM 1738 N HIS A 144 -12.383 5.461 9.587 1.00 0.51 N ATOM 1739 CA HIS A 144 -11.893 6.165 10.761 1.00 0.59 C ATOM 1740 C HIS A 144 -10.398 5.904 10.998 1.00 0.54 C ATOM 1741 O HIS A 144 -10.008 4.818 11.442 1.00 0.60 O ATOM 1742 CB HIS A 144 -12.752 5.682 11.931 1.00 0.77 C ATOM 1743 CG HIS A 144 -12.693 6.518 13.187 1.00 0.99 C ATOM 1744 ND1 HIS A 144 -13.674 7.368 13.654 1.00 1.46 N ATOM 1745 CD2 HIS A 144 -11.713 6.481 14.143 1.00 1.09 C ATOM 1746 CE1 HIS A 144 -13.291 7.835 14.853 1.00 1.59 C ATOM 1747 NE2 HIS A 144 -12.104 7.307 15.207 1.00 1.36 N ATOM 0 H HIS A 144 -12.899 4.614 9.827 1.00 0.51 H new ATOM 0 HA HIS A 144 -11.976 7.245 10.637 1.00 0.59 H new ATOM 0 HB2 HIS A 144 -13.789 5.634 11.599 1.00 0.77 H new ATOM 0 HB3 HIS A 144 -12.451 4.665 12.181 1.00 0.77 H new ATOM 0 HD2 HIS A 144 -10.796 5.913 14.087 1.00 1.09 H new ATOM 0 HE1 HIS A 144 -13.856 8.536 15.450 1.00 1.59 H new ATOM 0 HE2 HIS A 144 -11.593 7.474 16.074 1.00 1.36 H new ATOM 1755 N SER A 145 -9.558 6.916 10.765 1.00 0.49 N ATOM 1756 CA SER A 145 -8.228 6.996 11.358 1.00 0.43 C ATOM 1757 C SER A 145 -8.331 7.013 12.888 1.00 0.44 C ATOM 1758 O SER A 145 -8.937 7.895 13.468 1.00 0.50 O ATOM 1759 CB SER A 145 -7.547 8.263 10.821 1.00 0.42 C ATOM 1760 OG SER A 145 -6.518 8.714 11.678 1.00 0.40 O ATOM 0 H SER A 145 -9.785 7.703 10.158 1.00 0.49 H new ATOM 0 HA SER A 145 -7.631 6.125 11.089 1.00 0.43 H new ATOM 0 HB2 SER A 145 -7.134 8.061 9.833 1.00 0.42 H new ATOM 0 HB3 SER A 145 -8.290 9.051 10.701 1.00 0.42 H new ATOM 0 HG SER A 145 -5.662 8.332 11.391 1.00 0.40 H new ATOM 1766 N ALA A 146 -7.711 6.071 13.581 1.00 0.44 N ATOM 1767 CA ALA A 146 -7.647 5.997 15.046 1.00 0.45 C ATOM 1768 C ALA A 146 -7.147 7.301 15.712 1.00 0.51 C ATOM 1769 O ALA A 146 -7.476 7.581 16.868 1.00 0.74 O ATOM 1770 CB ALA A 146 -6.738 4.817 15.401 1.00 0.46 C ATOM 0 H ALA A 146 -7.216 5.303 13.127 1.00 0.44 H new ATOM 0 HA ALA A 146 -8.656 5.855 15.434 1.00 0.45 H new ATOM 0 HB1 ALA A 146 -6.664 4.728 16.485 1.00 0.46 H new ATOM 0 HB2 ALA A 146 -7.156 3.899 14.989 1.00 0.46 H new ATOM 0 HB3 ALA A 146 -5.746 4.983 14.982 1.00 0.46 H new ATOM 1776 N LEU A 147 -6.421 8.142 14.965 1.00 0.47 N ATOM 1777 CA LEU A 147 -5.907 9.435 15.366 1.00 0.59 C ATOM 1778 C LEU A 147 -6.977 10.554 15.368 1.00 0.73 C ATOM 1779 O LEU A 147 -6.657 11.703 15.680 1.00 0.91 O ATOM 1780 CB LEU A 147 -4.724 9.746 14.433 1.00 0.55 C ATOM 1781 CG LEU A 147 -3.704 8.621 14.159 1.00 0.52 C ATOM 1782 CD1 LEU A 147 -2.466 9.199 13.477 1.00 0.57 C ATOM 1783 CD2 LEU A 147 -3.257 7.888 15.419 1.00 0.55 C ATOM 0 H LEU A 147 -6.167 7.912 14.004 1.00 0.47 H new ATOM 0 HA LEU A 147 -5.581 9.397 16.405 1.00 0.59 H new ATOM 0 HB2 LEU A 147 -5.130 10.069 13.475 1.00 0.55 H new ATOM 0 HB3 LEU A 147 -4.182 10.594 14.852 1.00 0.55 H new ATOM 0 HG LEU A 147 -4.213 7.901 13.519 1.00 0.52 H new ATOM 0 HD11 LEU A 147 -1.749 8.400 13.286 1.00 0.57 H new ATOM 0 HD12 LEU A 147 -2.753 9.662 12.533 1.00 0.57 H new ATOM 0 HD13 LEU A 147 -2.010 9.948 14.125 1.00 0.57 H new ATOM 0 HD21 LEU A 147 -2.541 7.111 15.153 1.00 0.55 H new ATOM 0 HD22 LEU A 147 -2.788 8.594 16.104 1.00 0.55 H new ATOM 0 HD23 LEU A 147 -4.122 7.434 15.902 1.00 0.55 H new ATOM 1795 N LEU A 148 -8.232 10.250 15.003 1.00 0.78 N ATOM 1796 CA LEU A 148 -9.347 11.185 14.880 1.00 0.88 C ATOM 1797 C LEU A 148 -9.647 11.960 16.168 1.00 1.00 C ATOM 1798 O LEU A 148 -10.011 13.136 16.104 1.00 1.31 O ATOM 1799 CB LEU A 148 -10.608 10.409 14.425 1.00 1.01 C ATOM 1800 CG LEU A 148 -11.051 10.833 13.012 1.00 1.36 C ATOM 1801 CD1 LEU A 148 -10.616 9.845 11.964 1.00 2.31 C ATOM 1802 CD2 LEU A 148 -12.558 11.044 12.895 1.00 2.74 C ATOM 0 H LEU A 148 -8.504 9.294 14.775 1.00 0.78 H new ATOM 0 HA LEU A 148 -9.058 11.931 14.140 1.00 0.88 H new ATOM 0 HB2 LEU A 148 -10.402 9.339 14.437 1.00 1.01 H new ATOM 0 HB3 LEU A 148 -11.420 10.586 15.131 1.00 1.01 H new ATOM 0 HG LEU A 148 -10.556 11.789 12.838 1.00 1.36 H new ATOM 0 HD11 LEU A 148 -10.950 10.184 10.983 1.00 2.31 H new ATOM 0 HD12 LEU A 148 -9.529 9.764 11.969 1.00 2.31 H new ATOM 0 HD13 LEU A 148 -11.054 8.870 12.179 1.00 2.31 H new ATOM 0 HD21 LEU A 148 -12.806 11.341 11.876 1.00 2.74 H new ATOM 0 HD22 LEU A 148 -13.075 10.116 13.138 1.00 2.74 H new ATOM 0 HD23 LEU A 148 -12.871 11.826 13.587 1.00 2.74 H new ATOM 1814 N ASP A 149 -9.483 11.309 17.319 1.00 1.13 N ATOM 1815 CA ASP A 149 -9.809 11.832 18.652 1.00 1.62 C ATOM 1816 C ASP A 149 -8.571 11.973 19.556 1.00 1.68 C ATOM 1817 O ASP A 149 -8.641 11.880 20.784 1.00 2.06 O ATOM 1818 CB ASP A 149 -10.917 10.944 19.245 1.00 2.12 C ATOM 1819 CG ASP A 149 -11.776 11.650 20.301 1.00 2.81 C ATOM 1820 OD1 ASP A 149 -12.195 12.812 20.068 1.00 4.27 O ATOM 1821 OD2 ASP A 149 -12.115 11.028 21.337 1.00 2.73 O ATOM 0 H ASP A 149 -9.104 10.363 17.353 1.00 1.13 H new ATOM 0 HA ASP A 149 -10.181 12.854 18.573 1.00 1.62 H new ATOM 0 HB2 ASP A 149 -11.562 10.597 18.438 1.00 2.12 H new ATOM 0 HB3 ASP A 149 -10.462 10.060 19.692 1.00 2.12 H new ATOM 1826 N GLU A 150 -7.398 12.147 18.942 1.00 1.49 N ATOM 1827 CA GLU A 150 -6.082 11.979 19.549 1.00 1.80 C ATOM 1828 C GLU A 150 -5.295 13.281 19.715 1.00 2.20 C ATOM 1829 O GLU A 150 -5.141 13.708 20.883 1.00 2.79 O ATOM 1830 CB GLU A 150 -5.369 10.927 18.697 1.00 2.24 C ATOM 1831 CG GLU A 150 -4.114 10.397 19.364 1.00 2.66 C ATOM 1832 CD GLU A 150 -4.407 9.679 20.691 1.00 3.84 C ATOM 1833 OE1 GLU A 150 -5.408 8.925 20.791 1.00 4.84 O ATOM 1834 OE2 GLU A 150 -3.639 9.865 21.667 1.00 4.66 O ATOM 0 H GLU A 150 -7.341 12.422 17.961 1.00 1.49 H new ATOM 0 HA GLU A 150 -6.176 11.646 20.583 1.00 1.80 H new ATOM 0 HB2 GLU A 150 -6.050 10.099 18.501 1.00 2.24 H new ATOM 0 HB3 GLU A 150 -5.109 11.361 17.732 1.00 2.24 H new ATOM 0 HG2 GLU A 150 -3.610 9.708 18.686 1.00 2.66 H new ATOM 0 HG3 GLU A 150 -3.427 11.224 19.547 1.00 2.66 H new