USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=16 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 -29:sc= 1.05 USER MOD Set 1.2: A 111 GLN : amide:sc= -0.0995 K(o=0.95,f=-0.85) USER MOD Set 2.1: A 80 HIS : no HD1:sc= -0.129 K(o=0.49,f=-9!) USER MOD Set 2.2: A 129 HIS : no HD1:sc= -0.863 K(o=0.49,f=-3.6) USER MOD Set 2.3: A 145 SER OG : rot 99:sc= 1.48 USER MOD Set 3.1: A 50 LYS NZ :NH3+ -117:sc= 0.27 (180deg=0) USER MOD Set 3.2: A 115 ASN : amide:sc=-0.000435 K(o=0.27,f=-0.48) USER MOD Single : A 44 GLN : amide:sc= 0.622 K(o=0.62,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000343) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 2.47 (180deg=2.47) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= -3.2 K(o=-3.2,f=-8.9!) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.401 USER MOD Single : A 70 SER OG : rot 180:sc= -0.696 USER MOD Single : A 71 ASN : amide:sc= -0.0892 K(o=-0.089,f=-1.2) USER MOD Single : A 75 GLN : amide:sc= 0.316 K(o=0.32,f=-4.5!) 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= 0.29 K(o=0.29,f=-7.6!) 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 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.0546 X(o=-0.055,f=-0.02) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot -34:sc= -2.66 USER MOD Single : A 127 GLN : amide:sc= 0.84 K(o=0.84,f=-0.081) USER MOD Single : A 128 MET CE :methyl -124:sc= -1.04 (180deg=-1.17) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 ASN : amide:sc= 0.371 K(o=0.37,f=-4.6!) USER MOD Single : A 139 LYS NZ :NH3+ 158:sc= 1.19 (180deg=0.486) USER MOD Single : A 140 LYS NZ :NH3+ 164:sc= 1.24 (180deg=0.88) USER MOD Single : A 144 HIS : no HD1:sc= -0.0104 X(o=-0.01,f=0) USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 42 -1.083 -4.252 -17.009 1.00 1.07 N ATOM 129 CA ALA A 42 -1.652 -3.077 -16.330 1.00 0.87 C ATOM 130 C ALA A 42 -3.186 -3.147 -16.124 1.00 0.70 C ATOM 131 O ALA A 42 -3.705 -2.738 -15.084 1.00 0.57 O ATOM 132 CB ALA A 42 -1.247 -1.842 -17.136 1.00 1.07 C ATOM 0 HA ALA A 42 -1.251 -3.034 -15.317 1.00 0.87 H new ATOM 0 HB1 ALA A 42 -1.652 -0.949 -16.661 1.00 1.07 H new ATOM 0 HB2 ALA A 42 -0.160 -1.772 -17.173 1.00 1.07 H new ATOM 0 HB3 ALA A 42 -1.640 -1.924 -18.149 1.00 1.07 H new ATOM 138 N GLU A 43 -3.914 -3.712 -17.089 1.00 0.76 N ATOM 139 CA GLU A 43 -5.360 -4.006 -17.033 1.00 0.70 C ATOM 140 C GLU A 43 -5.765 -5.063 -15.983 1.00 0.50 C ATOM 141 O GLU A 43 -6.909 -5.081 -15.525 1.00 0.54 O ATOM 142 CB GLU A 43 -5.813 -4.439 -18.439 1.00 0.99 C ATOM 143 CG GLU A 43 -5.202 -5.769 -18.925 1.00 1.08 C ATOM 144 CD GLU A 43 -5.230 -5.857 -20.454 1.00 1.56 C ATOM 145 OE1 GLU A 43 -6.339 -5.941 -21.039 1.00 2.23 O ATOM 146 OE2 GLU A 43 -4.151 -5.758 -21.089 1.00 2.43 O ATOM 0 H GLU A 43 -3.498 -3.993 -17.977 1.00 0.76 H new ATOM 0 HA GLU A 43 -5.863 -3.094 -16.710 1.00 0.70 H new ATOM 0 HB2 GLU A 43 -6.899 -4.529 -18.446 1.00 0.99 H new ATOM 0 HB3 GLU A 43 -5.554 -3.653 -19.149 1.00 0.99 H new ATOM 0 HG2 GLU A 43 -4.175 -5.853 -18.571 1.00 1.08 H new ATOM 0 HG3 GLU A 43 -5.756 -6.605 -18.498 1.00 1.08 H new ATOM 153 N GLN A 44 -4.828 -5.930 -15.587 1.00 0.49 N ATOM 154 CA GLN A 44 -4.966 -6.887 -14.487 1.00 0.47 C ATOM 155 C GLN A 44 -4.539 -6.268 -13.157 1.00 0.40 C ATOM 156 O GLN A 44 -5.264 -6.397 -12.175 1.00 0.40 O ATOM 157 CB GLN A 44 -4.121 -8.124 -14.801 1.00 0.62 C ATOM 158 CG GLN A 44 -3.905 -9.091 -13.628 1.00 0.77 C ATOM 159 CD GLN A 44 -5.158 -9.795 -13.105 1.00 0.96 C ATOM 160 OE1 GLN A 44 -5.525 -10.886 -13.518 1.00 1.39 O ATOM 161 NE2 GLN A 44 -5.844 -9.217 -12.145 1.00 0.92 N ATOM 0 H GLN A 44 -3.917 -5.986 -16.043 1.00 0.49 H new ATOM 0 HA GLN A 44 -6.014 -7.170 -14.390 1.00 0.47 H new ATOM 0 HB2 GLN A 44 -4.596 -8.670 -15.616 1.00 0.62 H new ATOM 0 HB3 GLN A 44 -3.147 -7.795 -15.162 1.00 0.62 H new ATOM 0 HG2 GLN A 44 -3.186 -9.851 -13.936 1.00 0.77 H new ATOM 0 HG3 GLN A 44 -3.452 -8.538 -12.805 1.00 0.77 H new ATOM 0 HE21 GLN A 44 -5.554 -8.307 -11.787 1.00 0.92 H new ATOM 0 HE22 GLN A 44 -6.667 -9.678 -11.757 1.00 0.92 H new ATOM 170 N LEU A 45 -3.378 -5.613 -13.100 1.00 0.40 N ATOM 171 CA LEU A 45 -2.906 -4.880 -11.922 1.00 0.36 C ATOM 172 C LEU A 45 -3.930 -3.838 -11.437 1.00 0.30 C ATOM 173 O LEU A 45 -4.077 -3.651 -10.232 1.00 0.30 O ATOM 174 CB LEU A 45 -1.565 -4.228 -12.271 1.00 0.44 C ATOM 175 CG LEU A 45 -0.315 -5.123 -12.149 1.00 0.57 C ATOM 176 CD1 LEU A 45 0.190 -5.149 -10.704 1.00 0.56 C ATOM 177 CD2 LEU A 45 -0.469 -6.576 -12.608 1.00 0.77 C ATOM 0 H LEU A 45 -2.727 -5.576 -13.885 1.00 0.40 H new ATOM 0 HA LEU A 45 -2.777 -5.577 -11.094 1.00 0.36 H new ATOM 0 HB2 LEU A 45 -1.621 -3.858 -13.295 1.00 0.44 H new ATOM 0 HB3 LEU A 45 -1.428 -3.361 -11.625 1.00 0.44 H new ATOM 0 HG LEU A 45 0.391 -4.655 -12.835 1.00 0.57 H new ATOM 0 HD11 LEU A 45 1.072 -5.786 -10.638 1.00 0.56 H new ATOM 0 HD12 LEU A 45 0.448 -4.137 -10.391 1.00 0.56 H new ATOM 0 HD13 LEU A 45 -0.591 -5.542 -10.053 1.00 0.56 H new ATOM 0 HD21 LEU A 45 0.476 -7.102 -12.473 1.00 0.77 H new ATOM 0 HD22 LEU A 45 -1.244 -7.064 -12.017 1.00 0.77 H new ATOM 0 HD23 LEU A 45 -0.749 -6.597 -13.661 1.00 0.77 H new ATOM 189 N ASP A 46 -4.711 -3.249 -12.349 1.00 0.33 N ATOM 190 CA ASP A 46 -5.849 -2.388 -11.984 1.00 0.36 C ATOM 191 C ASP A 46 -6.940 -3.151 -11.194 1.00 0.35 C ATOM 192 O ASP A 46 -7.368 -2.748 -10.109 1.00 0.39 O ATOM 193 CB ASP A 46 -6.436 -1.776 -13.260 1.00 0.47 C ATOM 194 CG ASP A 46 -7.572 -0.813 -12.917 1.00 0.75 C ATOM 195 OD1 ASP A 46 -7.309 0.271 -12.350 1.00 1.82 O ATOM 196 OD2 ASP A 46 -8.739 -1.140 -13.237 1.00 1.55 O ATOM 0 H ASP A 46 -4.576 -3.352 -13.355 1.00 0.33 H new ATOM 0 HA ASP A 46 -5.484 -1.602 -11.323 1.00 0.36 H new ATOM 0 HB2 ASP A 46 -5.657 -1.248 -13.809 1.00 0.47 H new ATOM 0 HB3 ASP A 46 -6.806 -2.567 -13.913 1.00 0.47 H new ATOM 201 N ALA A 47 -7.336 -4.327 -11.689 1.00 0.37 N ATOM 202 CA ALA A 47 -8.269 -5.205 -10.984 1.00 0.44 C ATOM 203 C ALA A 47 -7.687 -5.641 -9.635 1.00 0.52 C ATOM 204 O ALA A 47 -8.428 -5.790 -8.671 1.00 0.66 O ATOM 205 CB ALA A 47 -8.546 -6.432 -11.857 1.00 0.52 C ATOM 0 H ALA A 47 -7.019 -4.695 -12.586 1.00 0.37 H new ATOM 0 HA ALA A 47 -9.197 -4.667 -10.793 1.00 0.44 H new ATOM 0 HB1 ALA A 47 -9.241 -7.095 -11.342 1.00 0.52 H new ATOM 0 HB2 ALA A 47 -8.982 -6.114 -12.804 1.00 0.52 H new ATOM 0 HB3 ALA A 47 -7.612 -6.962 -12.047 1.00 0.52 H new ATOM 211 N LEU A 48 -6.363 -5.800 -9.570 1.00 0.45 N ATOM 212 CA LEU A 48 -5.593 -6.212 -8.400 1.00 0.43 C ATOM 213 C LEU A 48 -5.615 -5.149 -7.289 1.00 0.43 C ATOM 214 O LEU A 48 -5.873 -5.485 -6.136 1.00 0.48 O ATOM 215 CB LEU A 48 -4.178 -6.549 -8.894 1.00 0.36 C ATOM 216 CG LEU A 48 -3.618 -7.890 -8.397 1.00 0.75 C ATOM 217 CD1 LEU A 48 -2.914 -8.659 -9.518 1.00 0.71 C ATOM 218 CD2 LEU A 48 -2.596 -7.596 -7.320 1.00 1.50 C ATOM 0 H LEU A 48 -5.768 -5.634 -10.381 1.00 0.45 H new ATOM 0 HA LEU A 48 -6.036 -7.092 -7.933 1.00 0.43 H new ATOM 0 HB2 LEU A 48 -4.182 -6.556 -9.984 1.00 0.36 H new ATOM 0 HB3 LEU A 48 -3.502 -5.753 -8.583 1.00 0.36 H new ATOM 0 HG LEU A 48 -4.445 -8.496 -8.027 1.00 0.75 H new ATOM 0 HD11 LEU A 48 -2.531 -9.602 -9.128 1.00 0.71 H new ATOM 0 HD12 LEU A 48 -3.622 -8.860 -10.322 1.00 0.71 H new ATOM 0 HD13 LEU A 48 -2.087 -8.064 -9.904 1.00 0.71 H new ATOM 0 HD21 LEU A 48 -2.180 -8.532 -6.947 1.00 1.50 H new ATOM 0 HD22 LEU A 48 -1.796 -6.984 -7.735 1.00 1.50 H new ATOM 0 HD23 LEU A 48 -3.075 -7.060 -6.500 1.00 1.50 H new ATOM 230 N VAL A 49 -5.465 -3.860 -7.625 1.00 0.39 N ATOM 231 CA VAL A 49 -5.728 -2.759 -6.672 1.00 0.41 C ATOM 232 C VAL A 49 -7.217 -2.557 -6.385 1.00 0.44 C ATOM 233 O VAL A 49 -7.551 -1.941 -5.376 1.00 0.59 O ATOM 234 CB VAL A 49 -5.095 -1.417 -7.086 1.00 0.40 C ATOM 235 CG1 VAL A 49 -3.581 -1.454 -7.190 1.00 0.40 C ATOM 236 CG2 VAL A 49 -5.605 -0.886 -8.420 1.00 0.41 C ATOM 0 H VAL A 49 -5.163 -3.549 -8.548 1.00 0.39 H new ATOM 0 HA VAL A 49 -5.241 -3.087 -5.754 1.00 0.41 H new ATOM 0 HB VAL A 49 -5.398 -0.758 -6.272 1.00 0.40 H new ATOM 0 HG11 VAL A 49 -3.213 -0.472 -7.486 1.00 0.40 H new ATOM 0 HG12 VAL A 49 -3.156 -1.725 -6.223 1.00 0.40 H new ATOM 0 HG13 VAL A 49 -3.285 -2.192 -7.936 1.00 0.40 H new ATOM 0 HG21 VAL A 49 -5.115 0.061 -8.646 1.00 0.41 H new ATOM 0 HG22 VAL A 49 -5.383 -1.606 -9.207 1.00 0.41 H new ATOM 0 HG23 VAL A 49 -6.683 -0.732 -8.362 1.00 0.41 H new ATOM 246 N LYS A 50 -8.125 -3.076 -7.223 1.00 0.39 N ATOM 247 CA LYS A 50 -9.572 -3.032 -7.005 1.00 0.43 C ATOM 248 C LYS A 50 -10.188 -4.226 -6.284 1.00 0.47 C ATOM 249 O LYS A 50 -11.377 -4.176 -5.963 1.00 0.63 O ATOM 250 CB LYS A 50 -10.195 -2.778 -8.376 1.00 0.46 C ATOM 251 CG LYS A 50 -10.038 -1.315 -8.797 1.00 1.28 C ATOM 252 CD LYS A 50 -10.557 -0.258 -7.806 1.00 0.69 C ATOM 253 CE LYS A 50 -12.022 -0.444 -7.392 1.00 1.30 C ATOM 254 NZ LYS A 50 -12.433 0.599 -6.425 1.00 2.55 N ATOM 0 H LYS A 50 -7.865 -3.548 -8.089 1.00 0.39 H new ATOM 0 HA LYS A 50 -9.790 -2.233 -6.296 1.00 0.43 H new ATOM 0 HB2 LYS A 50 -9.724 -3.424 -9.117 1.00 0.46 H new ATOM 0 HB3 LYS A 50 -11.253 -3.040 -8.351 1.00 0.46 H new ATOM 0 HG2 LYS A 50 -8.980 -1.123 -8.978 1.00 1.28 H new ATOM 0 HG3 LYS A 50 -10.554 -1.176 -9.747 1.00 1.28 H new ATOM 0 HD2 LYS A 50 -9.934 -0.279 -6.912 1.00 0.69 H new ATOM 0 HD3 LYS A 50 -10.441 0.729 -8.253 1.00 0.69 H new ATOM 0 HE2 LYS A 50 -12.662 -0.401 -8.274 1.00 1.30 H new ATOM 0 HE3 LYS A 50 -12.157 -1.431 -6.948 1.00 1.30 H new ATOM 0 HZ1 LYS A 50 -12.685 0.153 -5.520 1.00 2.55 H new ATOM 0 HZ2 LYS A 50 -11.647 1.264 -6.276 1.00 2.55 H new ATOM 0 HZ3 LYS A 50 -13.256 1.114 -6.799 1.00 2.55 H new ATOM 268 N LYS A 51 -9.389 -5.240 -5.940 1.00 0.42 N ATOM 269 CA LYS A 51 -9.801 -6.337 -5.046 1.00 0.49 C ATOM 270 C LYS A 51 -10.325 -5.786 -3.728 1.00 0.71 C ATOM 271 O LYS A 51 -11.393 -6.188 -3.279 1.00 1.14 O ATOM 272 CB LYS A 51 -8.617 -7.273 -4.746 1.00 0.59 C ATOM 273 CG LYS A 51 -8.627 -8.601 -5.509 1.00 0.70 C ATOM 274 CD LYS A 51 -8.571 -8.395 -7.019 1.00 1.03 C ATOM 275 CE LYS A 51 -7.993 -9.585 -7.783 1.00 0.80 C ATOM 276 NZ LYS A 51 -8.764 -10.830 -7.558 1.00 1.20 N ATOM 0 H LYS A 51 -8.429 -5.328 -6.274 1.00 0.42 H new ATOM 0 HA LYS A 51 -10.588 -6.894 -5.554 1.00 0.49 H new ATOM 0 HB2 LYS A 51 -7.691 -6.747 -4.977 1.00 0.59 H new ATOM 0 HB3 LYS A 51 -8.605 -7.486 -3.677 1.00 0.59 H new ATOM 0 HG2 LYS A 51 -7.777 -9.206 -5.194 1.00 0.70 H new ATOM 0 HG3 LYS A 51 -9.528 -9.159 -5.253 1.00 0.70 H new ATOM 0 HD2 LYS A 51 -9.577 -8.194 -7.386 1.00 1.03 H new ATOM 0 HD3 LYS A 51 -7.970 -7.511 -7.234 1.00 1.03 H new ATOM 0 HE2 LYS A 51 -7.980 -9.357 -8.849 1.00 0.80 H new ATOM 0 HE3 LYS A 51 -6.958 -9.741 -7.477 1.00 0.80 H new ATOM 0 HZ1 LYS A 51 -8.343 -11.604 -8.111 1.00 1.20 H new ATOM 0 HZ2 LYS A 51 -8.742 -11.074 -6.547 1.00 1.20 H new ATOM 0 HZ3 LYS A 51 -9.749 -10.687 -7.858 1.00 1.20 H new ATOM 290 N ASP A 52 -9.560 -4.884 -3.119 1.00 0.46 N ATOM 291 CA ASP A 52 -9.788 -4.403 -1.765 1.00 0.39 C ATOM 292 C ASP A 52 -9.808 -2.876 -1.686 1.00 0.40 C ATOM 293 O ASP A 52 -9.527 -2.167 -2.655 1.00 0.44 O ATOM 294 CB ASP A 52 -8.725 -5.020 -0.834 1.00 0.40 C ATOM 295 CG ASP A 52 -9.374 -5.929 0.202 1.00 0.89 C ATOM 296 OD1 ASP A 52 -10.153 -5.397 1.021 1.00 1.27 O ATOM 297 OD2 ASP A 52 -9.179 -7.165 0.161 1.00 2.36 O ATOM 0 H ASP A 52 -8.747 -4.460 -3.565 1.00 0.46 H new ATOM 0 HA ASP A 52 -10.778 -4.721 -1.438 1.00 0.39 H new ATOM 0 HB2 ASP A 52 -8.005 -5.588 -1.423 1.00 0.40 H new ATOM 0 HB3 ASP A 52 -8.171 -4.227 -0.332 1.00 0.40 H new ATOM 302 N LYS A 53 -10.122 -2.364 -0.497 1.00 0.44 N ATOM 303 CA LYS A 53 -10.174 -0.916 -0.231 1.00 0.50 C ATOM 304 C LYS A 53 -8.839 -0.318 0.179 1.00 0.43 C ATOM 305 O LYS A 53 -8.618 0.881 0.012 1.00 0.46 O ATOM 306 CB LYS A 53 -11.292 -0.595 0.761 1.00 0.67 C ATOM 307 CG LYS A 53 -11.064 -0.913 2.248 1.00 1.37 C ATOM 308 CD LYS A 53 -10.789 -2.345 2.713 1.00 0.94 C ATOM 309 CE LYS A 53 -12.029 -3.215 2.540 1.00 0.97 C ATOM 310 NZ LYS A 53 -11.789 -4.589 3.039 1.00 1.27 N ATOM 0 H LYS A 53 -10.349 -2.938 0.315 1.00 0.44 H new ATOM 0 HA LYS A 53 -10.408 -0.429 -1.178 1.00 0.50 H new ATOM 0 HB2 LYS A 53 -11.513 0.469 0.679 1.00 0.67 H new ATOM 0 HB3 LYS A 53 -12.185 -1.131 0.440 1.00 0.67 H new ATOM 0 HG2 LYS A 53 -10.225 -0.302 2.580 1.00 1.37 H new ATOM 0 HG3 LYS A 53 -11.945 -0.565 2.788 1.00 1.37 H new ATOM 0 HD2 LYS A 53 -9.961 -2.765 2.142 1.00 0.94 H new ATOM 0 HD3 LYS A 53 -10.485 -2.341 3.760 1.00 0.94 H new ATOM 0 HE2 LYS A 53 -12.867 -2.771 3.077 1.00 0.97 H new ATOM 0 HE3 LYS A 53 -12.308 -3.251 1.487 1.00 0.97 H new ATOM 0 HZ1 LYS A 53 -12.648 -5.160 2.910 1.00 1.27 H new ATOM 0 HZ2 LYS A 53 -11.004 -5.019 2.509 1.00 1.27 H new ATOM 0 HZ3 LYS A 53 -11.546 -4.554 4.050 1.00 1.27 H new ATOM 324 N VAL A 54 -7.952 -1.173 0.683 1.00 0.39 N ATOM 325 CA VAL A 54 -6.587 -0.856 1.089 1.00 0.39 C ATOM 326 C VAL A 54 -5.768 -1.987 0.527 1.00 0.43 C ATOM 327 O VAL A 54 -5.922 -3.141 0.935 1.00 0.64 O ATOM 328 CB VAL A 54 -6.374 -0.797 2.616 1.00 0.33 C ATOM 329 CG1 VAL A 54 -5.338 0.243 2.998 1.00 0.34 C ATOM 330 CG2 VAL A 54 -7.645 -0.506 3.388 1.00 0.40 C ATOM 0 H VAL A 54 -8.179 -2.157 0.826 1.00 0.39 H new ATOM 0 HA VAL A 54 -6.317 0.136 0.728 1.00 0.39 H new ATOM 0 HB VAL A 54 -6.025 -1.793 2.887 1.00 0.33 H new ATOM 0 HG11 VAL A 54 -5.216 0.254 4.081 1.00 0.34 H new ATOM 0 HG12 VAL A 54 -4.386 -0.003 2.528 1.00 0.34 H new ATOM 0 HG13 VAL A 54 -5.667 1.226 2.660 1.00 0.34 H new ATOM 0 HG21 VAL A 54 -7.424 -0.478 4.455 1.00 0.40 H new ATOM 0 HG22 VAL A 54 -8.048 0.457 3.076 1.00 0.40 H new ATOM 0 HG23 VAL A 54 -8.378 -1.288 3.189 1.00 0.40 H new ATOM 340 N VAL A 55 -4.952 -1.671 -0.458 1.00 0.45 N ATOM 341 CA VAL A 55 -4.162 -2.699 -1.127 1.00 0.43 C ATOM 342 C VAL A 55 -2.690 -2.351 -1.046 1.00 0.35 C ATOM 343 O VAL A 55 -2.251 -1.319 -1.554 1.00 0.35 O ATOM 344 CB VAL A 55 -4.658 -2.966 -2.556 1.00 0.49 C ATOM 345 CG1 VAL A 55 -4.246 -4.385 -2.887 1.00 0.88 C ATOM 346 CG2 VAL A 55 -6.180 -3.030 -2.705 1.00 0.91 C ATOM 0 H VAL A 55 -4.815 -0.725 -0.814 1.00 0.45 H new ATOM 0 HA VAL A 55 -4.296 -3.647 -0.606 1.00 0.43 H new ATOM 0 HB VAL A 55 -4.258 -2.160 -3.171 1.00 0.49 H new ATOM 0 HG11 VAL A 55 -4.574 -4.633 -3.897 1.00 0.88 H new ATOM 0 HG12 VAL A 55 -3.161 -4.473 -2.826 1.00 0.88 H new ATOM 0 HG13 VAL A 55 -4.706 -5.072 -2.177 1.00 0.88 H new ATOM 0 HG21 VAL A 55 -6.436 -3.222 -3.747 1.00 0.91 H new ATOM 0 HG22 VAL A 55 -6.573 -3.832 -2.081 1.00 0.91 H new ATOM 0 HG23 VAL A 55 -6.616 -2.081 -2.393 1.00 0.91 H new ATOM 356 N VAL A 56 -1.945 -3.216 -0.362 1.00 0.29 N ATOM 357 CA VAL A 56 -0.547 -3.023 0.024 1.00 0.23 C ATOM 358 C VAL A 56 0.336 -3.975 -0.750 1.00 0.23 C ATOM 359 O VAL A 56 -0.078 -5.075 -1.095 1.00 0.26 O ATOM 360 CB VAL A 56 -0.384 -3.201 1.540 1.00 0.21 C ATOM 361 CG1 VAL A 56 1.001 -2.890 2.055 1.00 0.23 C ATOM 362 CG2 VAL A 56 -1.230 -2.169 2.265 1.00 0.25 C ATOM 0 H VAL A 56 -2.315 -4.112 -0.047 1.00 0.29 H new ATOM 0 HA VAL A 56 -0.240 -2.006 -0.221 1.00 0.23 H new ATOM 0 HB VAL A 56 -0.648 -4.244 1.716 1.00 0.21 H new ATOM 0 HG11 VAL A 56 1.030 -3.041 3.134 1.00 0.23 H new ATOM 0 HG12 VAL A 56 1.724 -3.551 1.576 1.00 0.23 H new ATOM 0 HG13 VAL A 56 1.250 -1.854 1.827 1.00 0.23 H new ATOM 0 HG21 VAL A 56 -1.114 -2.295 3.341 1.00 0.25 H new ATOM 0 HG22 VAL A 56 -0.906 -1.168 1.980 1.00 0.25 H new ATOM 0 HG23 VAL A 56 -2.277 -2.302 1.994 1.00 0.25 H new ATOM 372 N PHE A 57 1.542 -3.524 -1.048 1.00 0.21 N ATOM 373 CA PHE A 57 2.370 -4.078 -2.111 1.00 0.23 C ATOM 374 C PHE A 57 3.830 -4.012 -1.715 1.00 0.24 C ATOM 375 O PHE A 57 4.389 -2.919 -1.596 1.00 0.28 O ATOM 376 CB PHE A 57 2.150 -3.176 -3.312 1.00 0.24 C ATOM 377 CG PHE A 57 0.940 -3.553 -4.135 1.00 0.24 C ATOM 378 CD1 PHE A 57 1.025 -4.553 -5.120 1.00 1.82 C ATOM 379 CD2 PHE A 57 -0.279 -2.909 -3.895 1.00 1.91 C ATOM 380 CE1 PHE A 57 -0.100 -4.865 -5.907 1.00 1.83 C ATOM 381 CE2 PHE A 57 -1.409 -3.236 -4.662 1.00 1.90 C ATOM 382 CZ PHE A 57 -1.320 -4.198 -5.687 1.00 0.28 C ATOM 0 H PHE A 57 1.983 -2.750 -0.551 1.00 0.21 H new ATOM 0 HA PHE A 57 2.114 -5.118 -2.315 1.00 0.23 H new ATOM 0 HB2 PHE A 57 2.040 -2.147 -2.969 1.00 0.24 H new ATOM 0 HB3 PHE A 57 3.035 -3.207 -3.947 1.00 0.24 H new ATOM 0 HD1 PHE A 57 1.954 -5.082 -5.273 1.00 1.82 H new ATOM 0 HD2 PHE A 57 -0.351 -2.160 -3.120 1.00 1.91 H new ATOM 0 HE1 PHE A 57 -0.027 -5.616 -6.680 1.00 1.83 H new ATOM 0 HE2 PHE A 57 -2.352 -2.747 -4.465 1.00 1.90 H new ATOM 0 HZ PHE A 57 -2.181 -4.422 -6.299 1.00 0.28 H new ATOM 392 N LEU A 58 4.435 -5.163 -1.430 1.00 0.25 N ATOM 393 CA LEU A 58 5.784 -5.194 -0.897 1.00 0.25 C ATOM 394 C LEU A 58 6.457 -6.551 -1.215 1.00 0.27 C ATOM 395 O LEU A 58 5.772 -7.531 -1.508 1.00 0.35 O ATOM 396 CB LEU A 58 5.733 -4.783 0.606 1.00 0.26 C ATOM 397 CG LEU A 58 4.384 -4.818 1.391 1.00 0.27 C ATOM 398 CD1 LEU A 58 4.045 -6.167 2.018 1.00 0.30 C ATOM 399 CD2 LEU A 58 4.414 -3.714 2.439 1.00 0.54 C ATOM 0 H LEU A 58 4.009 -6.081 -1.561 1.00 0.25 H new ATOM 0 HA LEU A 58 6.435 -4.464 -1.379 1.00 0.25 H new ATOM 0 HB2 LEU A 58 6.433 -5.426 1.140 1.00 0.26 H new ATOM 0 HB3 LEU A 58 6.119 -3.766 0.675 1.00 0.26 H new ATOM 0 HG LEU A 58 3.584 -4.653 0.670 1.00 0.27 H new ATOM 0 HD11 LEU A 58 3.092 -6.095 2.542 1.00 0.30 H new ATOM 0 HD12 LEU A 58 3.974 -6.924 1.237 1.00 0.30 H new ATOM 0 HD13 LEU A 58 4.827 -6.447 2.724 1.00 0.30 H new ATOM 0 HD21 LEU A 58 3.480 -3.720 3.000 1.00 0.54 H new ATOM 0 HD22 LEU A 58 5.248 -3.882 3.121 1.00 0.54 H new ATOM 0 HD23 LEU A 58 4.536 -2.749 1.947 1.00 0.54 H new ATOM 411 N LYS A 59 7.792 -6.650 -1.210 1.00 0.29 N ATOM 412 CA LYS A 59 8.501 -7.938 -1.410 1.00 0.39 C ATOM 413 C LYS A 59 8.663 -8.682 -0.072 1.00 0.42 C ATOM 414 O LYS A 59 9.777 -8.922 0.396 1.00 0.47 O ATOM 415 CB LYS A 59 9.831 -7.702 -2.156 1.00 0.50 C ATOM 416 CG LYS A 59 10.690 -6.576 -1.564 1.00 0.54 C ATOM 417 CD LYS A 59 12.132 -6.582 -2.073 1.00 0.90 C ATOM 418 CE LYS A 59 12.191 -6.403 -3.590 1.00 1.29 C ATOM 419 NZ LYS A 59 13.592 -6.226 -4.029 1.00 1.75 N ATOM 0 H LYS A 59 8.414 -5.854 -1.069 1.00 0.29 H new ATOM 0 HA LYS A 59 7.904 -8.594 -2.044 1.00 0.39 H new ATOM 0 HB2 LYS A 59 10.408 -8.627 -2.149 1.00 0.50 H new ATOM 0 HB3 LYS A 59 9.614 -7.469 -3.199 1.00 0.50 H new ATOM 0 HG2 LYS A 59 10.232 -5.616 -1.802 1.00 0.54 H new ATOM 0 HG3 LYS A 59 10.695 -6.666 -0.478 1.00 0.54 H new ATOM 0 HD2 LYS A 59 12.693 -5.783 -1.589 1.00 0.90 H new ATOM 0 HD3 LYS A 59 12.612 -7.521 -1.797 1.00 0.90 H new ATOM 0 HE2 LYS A 59 11.755 -7.272 -4.083 1.00 1.29 H new ATOM 0 HE3 LYS A 59 11.598 -5.537 -3.885 1.00 1.29 H new ATOM 0 HZ1 LYS A 59 13.620 -6.105 -5.062 1.00 1.75 H new ATOM 0 HZ2 LYS A 59 13.996 -5.384 -3.571 1.00 1.75 H new ATOM 0 HZ3 LYS A 59 14.148 -7.064 -3.763 1.00 1.75 H new ATOM 433 N GLY A 60 7.525 -9.058 0.517 1.00 0.42 N ATOM 434 CA GLY A 60 7.406 -9.459 1.924 1.00 0.47 C ATOM 435 C GLY A 60 5.967 -9.614 2.436 1.00 0.53 C ATOM 436 O GLY A 60 5.012 -9.636 1.664 1.00 0.76 O ATOM 0 H GLY A 60 6.637 -9.093 0.017 1.00 0.42 H new ATOM 0 HA2 GLY A 60 7.928 -10.406 2.062 1.00 0.47 H new ATOM 0 HA3 GLY A 60 7.917 -8.720 2.541 1.00 0.47 H new ATOM 440 N THR A 61 5.807 -9.674 3.762 1.00 0.47 N ATOM 441 CA THR A 61 4.515 -9.837 4.469 1.00 0.46 C ATOM 442 C THR A 61 4.414 -8.915 5.692 1.00 0.48 C ATOM 443 O THR A 61 5.438 -8.465 6.213 1.00 0.55 O ATOM 444 CB THR A 61 4.327 -11.296 4.940 1.00 0.54 C ATOM 445 OG1 THR A 61 5.453 -11.773 5.654 1.00 0.68 O ATOM 446 CG2 THR A 61 4.076 -12.237 3.766 1.00 0.76 C ATOM 0 H THR A 61 6.597 -9.609 4.403 1.00 0.47 H new ATOM 0 HA THR A 61 3.734 -9.570 3.757 1.00 0.46 H new ATOM 0 HB THR A 61 3.458 -11.285 5.598 1.00 0.54 H new ATOM 0 HG1 THR A 61 5.294 -12.698 5.936 1.00 0.68 H new ATOM 0 HG21 THR A 61 3.949 -13.254 4.136 1.00 0.76 H new ATOM 0 HG22 THR A 61 3.174 -11.927 3.238 1.00 0.76 H new ATOM 0 HG23 THR A 61 4.926 -12.203 3.084 1.00 0.76 H new ATOM 454 N PRO A 62 3.197 -8.636 6.203 1.00 0.47 N ATOM 455 CA PRO A 62 2.993 -7.710 7.322 1.00 0.53 C ATOM 456 C PRO A 62 3.562 -8.184 8.668 1.00 0.66 C ATOM 457 O PRO A 62 3.708 -7.369 9.580 1.00 0.88 O ATOM 458 CB PRO A 62 1.476 -7.506 7.414 1.00 0.55 C ATOM 459 CG PRO A 62 0.897 -8.761 6.766 1.00 0.57 C ATOM 460 CD PRO A 62 1.910 -9.074 5.677 1.00 0.46 C ATOM 0 HA PRO A 62 3.541 -6.789 7.124 1.00 0.53 H new ATOM 0 HB2 PRO A 62 1.149 -7.403 8.449 1.00 0.55 H new ATOM 0 HB3 PRO A 62 1.162 -6.604 6.889 1.00 0.55 H new ATOM 0 HG2 PRO A 62 0.805 -9.579 7.480 1.00 0.57 H new ATOM 0 HG3 PRO A 62 -0.097 -8.583 6.355 1.00 0.57 H new ATOM 0 HD2 PRO A 62 1.922 -10.139 5.447 1.00 0.46 H new ATOM 0 HD3 PRO A 62 1.666 -8.551 4.752 1.00 0.46 H new ATOM 468 N GLU A 63 3.880 -9.471 8.827 1.00 0.68 N ATOM 469 CA GLU A 63 4.456 -10.020 10.067 1.00 0.87 C ATOM 470 C GLU A 63 5.980 -10.256 10.027 1.00 0.91 C ATOM 471 O GLU A 63 6.639 -10.051 11.049 1.00 1.10 O ATOM 472 CB GLU A 63 3.652 -11.245 10.533 1.00 1.05 C ATOM 473 CG GLU A 63 3.653 -12.447 9.585 1.00 1.47 C ATOM 474 CD GLU A 63 2.861 -13.614 10.193 1.00 2.61 C ATOM 475 OE1 GLU A 63 3.459 -14.437 10.928 1.00 3.76 O ATOM 476 OE2 GLU A 63 1.650 -13.755 9.895 1.00 3.51 O ATOM 0 H GLU A 63 3.746 -10.170 8.097 1.00 0.68 H new ATOM 0 HA GLU A 63 4.356 -9.244 10.826 1.00 0.87 H new ATOM 0 HB2 GLU A 63 4.045 -11.567 11.497 1.00 1.05 H new ATOM 0 HB3 GLU A 63 2.619 -10.937 10.696 1.00 1.05 H new ATOM 0 HG2 GLU A 63 3.216 -12.163 8.628 1.00 1.47 H new ATOM 0 HG3 GLU A 63 4.678 -12.760 9.387 1.00 1.47 H new ATOM 483 N GLN A 64 6.576 -10.603 8.875 1.00 0.96 N ATOM 484 CA GLN A 64 8.025 -10.793 8.726 1.00 1.01 C ATOM 485 C GLN A 64 8.674 -9.621 7.951 1.00 1.06 C ATOM 486 O GLN A 64 8.295 -9.381 6.802 1.00 1.09 O ATOM 487 CB GLN A 64 8.321 -12.138 8.059 1.00 1.07 C ATOM 488 CG GLN A 64 7.948 -13.367 8.905 1.00 1.19 C ATOM 489 CD GLN A 64 8.423 -14.668 8.258 1.00 1.63 C ATOM 490 OE1 GLN A 64 9.407 -15.274 8.669 1.00 2.21 O ATOM 491 NE2 GLN A 64 7.757 -15.142 7.232 1.00 2.29 N ATOM 0 H GLN A 64 6.057 -10.761 8.011 1.00 0.96 H new ATOM 0 HA GLN A 64 8.470 -10.802 9.721 1.00 1.01 H new ATOM 0 HB2 GLN A 64 7.781 -12.187 7.113 1.00 1.07 H new ATOM 0 HB3 GLN A 64 9.384 -12.185 7.822 1.00 1.07 H new ATOM 0 HG2 GLN A 64 8.389 -13.273 9.897 1.00 1.19 H new ATOM 0 HG3 GLN A 64 6.867 -13.401 9.039 1.00 1.19 H new ATOM 0 HE21 GLN A 64 6.937 -14.646 6.883 1.00 2.29 H new ATOM 0 HE22 GLN A 64 8.059 -16.007 6.784 1.00 2.29 H new ATOM 500 N PRO A 65 9.655 -8.891 8.529 1.00 1.30 N ATOM 501 CA PRO A 65 10.229 -7.681 7.931 1.00 1.34 C ATOM 502 C PRO A 65 11.268 -7.991 6.838 1.00 1.08 C ATOM 503 O PRO A 65 12.468 -7.772 7.006 1.00 1.30 O ATOM 504 CB PRO A 65 10.785 -6.876 9.108 1.00 1.68 C ATOM 505 CG PRO A 65 11.243 -7.972 10.065 1.00 1.90 C ATOM 506 CD PRO A 65 10.168 -9.044 9.886 1.00 1.65 C ATOM 0 HA PRO A 65 9.480 -7.102 7.391 1.00 1.34 H new ATOM 0 HB2 PRO A 65 11.609 -6.230 8.805 1.00 1.68 H new ATOM 0 HB3 PRO A 65 10.026 -6.235 9.557 1.00 1.68 H new ATOM 0 HG2 PRO A 65 12.234 -8.346 9.808 1.00 1.90 H new ATOM 0 HG3 PRO A 65 11.293 -7.616 11.094 1.00 1.90 H new ATOM 0 HD2 PRO A 65 10.585 -10.040 10.033 1.00 1.65 H new ATOM 0 HD3 PRO A 65 9.371 -8.920 10.619 1.00 1.65 H new ATOM 514 N GLN A 66 10.776 -8.475 5.697 1.00 0.90 N ATOM 515 CA GLN A 66 11.463 -8.674 4.406 1.00 0.64 C ATOM 516 C GLN A 66 12.772 -7.890 4.200 1.00 0.75 C ATOM 517 O GLN A 66 13.848 -8.450 3.991 1.00 0.90 O ATOM 518 CB GLN A 66 10.488 -8.267 3.291 1.00 0.59 C ATOM 519 CG GLN A 66 9.658 -6.992 3.568 1.00 1.34 C ATOM 520 CD GLN A 66 9.458 -6.116 2.338 1.00 0.83 C ATOM 521 OE1 GLN A 66 8.597 -6.356 1.525 1.00 1.75 O ATOM 522 NE2 GLN A 66 10.135 -4.999 2.191 1.00 0.88 N ATOM 0 H GLN A 66 9.800 -8.766 5.640 1.00 0.90 H new ATOM 0 HA GLN A 66 11.752 -9.725 4.389 1.00 0.64 H new ATOM 0 HB2 GLN A 66 11.055 -8.118 2.372 1.00 0.59 H new ATOM 0 HB3 GLN A 66 9.802 -9.095 3.112 1.00 0.59 H new ATOM 0 HG2 GLN A 66 8.683 -7.281 3.960 1.00 1.34 H new ATOM 0 HG3 GLN A 66 10.153 -6.408 4.344 1.00 1.34 H new ATOM 0 HE21 GLN A 66 10.871 -4.757 2.855 1.00 0.88 H new ATOM 0 HE22 GLN A 66 9.925 -4.374 1.413 1.00 0.88 H new ATOM 531 N CYS A 67 12.631 -6.566 4.187 1.00 0.80 N ATOM 532 CA CYS A 67 13.615 -5.567 3.800 1.00 1.00 C ATOM 533 C CYS A 67 13.042 -4.192 4.212 1.00 1.25 C ATOM 534 O CYS A 67 11.871 -4.107 4.617 1.00 1.95 O ATOM 535 CB CYS A 67 13.802 -5.669 2.270 1.00 1.08 C ATOM 536 SG CYS A 67 15.212 -4.681 1.697 1.00 1.52 S ATOM 0 H CYS A 67 11.752 -6.133 4.471 1.00 0.80 H new ATOM 0 HA CYS A 67 14.584 -5.710 4.279 1.00 1.00 H new ATOM 0 HB2 CYS A 67 13.951 -6.712 1.991 1.00 1.08 H new ATOM 0 HB3 CYS A 67 12.894 -5.332 1.769 1.00 1.08 H new ATOM 0 HG CYS A 67 15.330 -4.800 0.408 1.00 1.52 H new ATOM 542 N GLY A 68 13.779 -3.097 4.022 1.00 1.31 N ATOM 543 CA GLY A 68 13.143 -1.781 3.902 1.00 1.83 C ATOM 544 C GLY A 68 12.124 -1.794 2.744 1.00 2.41 C ATOM 545 O GLY A 68 12.387 -2.392 1.707 1.00 3.44 O ATOM 0 H GLY A 68 14.796 -3.091 3.949 1.00 1.31 H new ATOM 0 HA2 GLY A 68 12.643 -1.523 4.835 1.00 1.83 H new ATOM 0 HA3 GLY A 68 13.899 -1.017 3.724 1.00 1.83 H new ATOM 549 N PHE A 69 10.921 -1.226 2.839 1.00 2.46 N ATOM 550 CA PHE A 69 10.356 -0.427 3.935 1.00 1.03 C ATOM 551 C PHE A 69 9.063 -1.026 4.532 1.00 0.63 C ATOM 552 O PHE A 69 8.255 -0.309 5.116 1.00 0.63 O ATOM 553 CB PHE A 69 10.153 1.008 3.473 1.00 1.42 C ATOM 554 CG PHE A 69 11.220 1.585 2.564 1.00 0.84 C ATOM 555 CD1 PHE A 69 12.462 2.044 3.037 1.00 1.75 C ATOM 556 CD2 PHE A 69 10.911 1.716 1.209 1.00 1.90 C ATOM 557 CE1 PHE A 69 13.371 2.648 2.145 1.00 2.01 C ATOM 558 CE2 PHE A 69 11.769 2.378 0.333 1.00 2.04 C ATOM 559 CZ PHE A 69 13.018 2.835 0.792 1.00 1.48 C ATOM 0 H PHE A 69 10.250 -1.322 2.077 1.00 2.46 H new ATOM 0 HA PHE A 69 11.078 -0.442 4.752 1.00 1.03 H new ATOM 0 HB2 PHE A 69 9.196 1.067 2.955 1.00 1.42 H new ATOM 0 HB3 PHE A 69 10.078 1.643 4.356 1.00 1.42 H new ATOM 0 HD1 PHE A 69 12.719 1.934 4.080 1.00 1.75 H new ATOM 0 HD2 PHE A 69 9.990 1.296 0.833 1.00 1.90 H new ATOM 0 HE1 PHE A 69 14.340 2.968 2.498 1.00 2.01 H new ATOM 0 HE2 PHE A 69 11.476 2.540 -0.694 1.00 2.04 H new ATOM 0 HZ PHE A 69 13.701 3.325 0.114 1.00 1.48 H new ATOM 569 N SER A 70 8.822 -2.329 4.344 1.00 0.86 N ATOM 570 CA SER A 70 7.502 -2.959 4.551 1.00 0.81 C ATOM 571 C SER A 70 6.918 -2.810 5.962 1.00 0.62 C ATOM 572 O SER A 70 5.715 -2.639 6.129 1.00 0.72 O ATOM 573 CB SER A 70 7.600 -4.427 4.143 1.00 1.11 C ATOM 574 OG SER A 70 6.486 -5.210 4.493 1.00 2.77 O ATOM 0 H SER A 70 9.541 -2.986 4.041 1.00 0.86 H new ATOM 0 HA SER A 70 6.793 -2.421 3.922 1.00 0.81 H new ATOM 0 HB2 SER A 70 7.740 -4.481 3.063 1.00 1.11 H new ATOM 0 HB3 SER A 70 8.489 -4.859 4.602 1.00 1.11 H new ATOM 0 HG SER A 70 6.628 -6.133 4.195 1.00 2.77 H new ATOM 580 N ASN A 71 7.755 -2.753 6.993 1.00 0.58 N ATOM 581 CA ASN A 71 7.292 -2.457 8.340 1.00 0.53 C ATOM 582 C ASN A 71 6.816 -1.008 8.513 1.00 0.48 C ATOM 583 O ASN A 71 5.787 -0.771 9.131 1.00 0.47 O ATOM 584 CB ASN A 71 8.427 -2.836 9.286 1.00 0.73 C ATOM 585 CG ASN A 71 9.604 -1.901 9.169 1.00 2.74 C ATOM 586 OD1 ASN A 71 10.366 -1.923 8.206 1.00 4.38 O ATOM 587 ND2 ASN A 71 9.695 -0.969 10.074 1.00 3.23 N ATOM 0 H ASN A 71 8.760 -2.909 6.919 1.00 0.58 H new ATOM 0 HA ASN A 71 6.400 -3.040 8.569 1.00 0.53 H new ATOM 0 HB2 ASN A 71 8.060 -2.828 10.312 1.00 0.73 H new ATOM 0 HB3 ASN A 71 8.752 -3.854 9.071 1.00 0.73 H new ATOM 0 HD21 ASN A 71 10.407 -0.243 9.989 1.00 3.23 H new ATOM 0 HD22 ASN A 71 9.055 -0.965 10.868 1.00 3.23 H new ATOM 594 N ALA A 72 7.504 -0.039 7.915 1.00 0.48 N ATOM 595 CA ALA A 72 7.180 1.385 8.045 1.00 0.48 C ATOM 596 C ALA A 72 5.781 1.719 7.522 1.00 0.42 C ATOM 597 O ALA A 72 5.047 2.471 8.171 1.00 0.44 O ATOM 598 CB ALA A 72 8.274 2.220 7.365 1.00 0.55 C ATOM 0 H ALA A 72 8.312 -0.219 7.319 1.00 0.48 H new ATOM 0 HA ALA A 72 7.156 1.639 9.105 1.00 0.48 H new ATOM 0 HB1 ALA A 72 8.035 3.279 7.460 1.00 0.55 H new ATOM 0 HB2 ALA A 72 9.234 2.020 7.842 1.00 0.55 H new ATOM 0 HB3 ALA A 72 8.331 1.955 6.309 1.00 0.55 H new ATOM 604 N VAL A 73 5.369 1.099 6.411 1.00 0.40 N ATOM 605 CA VAL A 73 4.029 1.213 5.871 1.00 0.39 C ATOM 606 C VAL A 73 2.985 0.494 6.720 1.00 0.35 C ATOM 607 O VAL A 73 1.910 1.036 6.967 1.00 0.35 O ATOM 608 CB VAL A 73 4.011 0.705 4.423 1.00 0.48 C ATOM 609 CG1 VAL A 73 4.775 1.653 3.501 1.00 0.58 C ATOM 610 CG2 VAL A 73 4.635 -0.655 4.194 1.00 0.54 C ATOM 0 H VAL A 73 5.977 0.494 5.858 1.00 0.40 H new ATOM 0 HA VAL A 73 3.755 2.268 5.888 1.00 0.39 H new ATOM 0 HB VAL A 73 2.945 0.643 4.205 1.00 0.48 H new ATOM 0 HG11 VAL A 73 4.747 1.270 2.481 1.00 0.58 H new ATOM 0 HG12 VAL A 73 4.313 2.640 3.531 1.00 0.58 H new ATOM 0 HG13 VAL A 73 5.811 1.727 3.832 1.00 0.58 H new ATOM 0 HG21 VAL A 73 4.567 -0.913 3.137 1.00 0.54 H new ATOM 0 HG22 VAL A 73 5.682 -0.630 4.495 1.00 0.54 H new ATOM 0 HG23 VAL A 73 4.106 -1.402 4.785 1.00 0.54 H new ATOM 620 N VAL A 74 3.318 -0.695 7.220 1.00 0.37 N ATOM 621 CA VAL A 74 2.426 -1.529 8.034 1.00 0.41 C ATOM 622 C VAL A 74 2.160 -0.906 9.401 1.00 0.38 C ATOM 623 O VAL A 74 1.017 -0.903 9.860 1.00 0.42 O ATOM 624 CB VAL A 74 3.000 -2.949 8.111 1.00 0.51 C ATOM 625 CG1 VAL A 74 2.400 -3.797 9.237 1.00 0.66 C ATOM 626 CG2 VAL A 74 2.756 -3.614 6.745 1.00 0.54 C ATOM 0 H VAL A 74 4.234 -1.117 7.069 1.00 0.37 H new ATOM 0 HA VAL A 74 1.447 -1.590 7.559 1.00 0.41 H new ATOM 0 HB VAL A 74 4.063 -2.880 8.344 1.00 0.51 H new ATOM 0 HG11 VAL A 74 2.855 -4.788 9.228 1.00 0.66 H new ATOM 0 HG12 VAL A 74 2.593 -3.317 10.196 1.00 0.66 H new ATOM 0 HG13 VAL A 74 1.324 -3.890 9.088 1.00 0.66 H new ATOM 0 HG21 VAL A 74 3.152 -4.630 6.759 1.00 0.54 H new ATOM 0 HG22 VAL A 74 1.686 -3.644 6.541 1.00 0.54 H new ATOM 0 HG23 VAL A 74 3.258 -3.040 5.966 1.00 0.54 H new ATOM 636 N GLN A 75 3.174 -0.291 10.012 1.00 0.35 N ATOM 637 CA GLN A 75 2.994 0.465 11.240 1.00 0.43 C ATOM 638 C GLN A 75 2.166 1.731 10.991 1.00 0.35 C ATOM 639 O GLN A 75 1.210 1.948 11.726 1.00 0.37 O ATOM 640 CB GLN A 75 4.328 0.740 11.951 1.00 0.70 C ATOM 641 CG GLN A 75 5.098 -0.528 12.377 1.00 0.85 C ATOM 642 CD GLN A 75 4.243 -1.615 13.020 1.00 1.77 C ATOM 643 OE1 GLN A 75 3.781 -2.557 12.390 1.00 3.72 O ATOM 644 NE2 GLN A 75 3.967 -1.535 14.294 1.00 1.01 N ATOM 0 H GLN A 75 4.134 -0.306 9.668 1.00 0.35 H new ATOM 0 HA GLN A 75 2.420 -0.151 11.932 1.00 0.43 H new ATOM 0 HB2 GLN A 75 4.963 1.331 11.290 1.00 0.70 H new ATOM 0 HB3 GLN A 75 4.136 1.348 12.835 1.00 0.70 H new ATOM 0 HG2 GLN A 75 5.592 -0.947 11.500 1.00 0.85 H new ATOM 0 HG3 GLN A 75 5.882 -0.241 13.078 1.00 0.85 H new ATOM 0 HE21 GLN A 75 4.336 -0.762 14.848 1.00 1.01 H new ATOM 0 HE22 GLN A 75 3.382 -2.245 14.735 1.00 1.01 H new ATOM 653 N ILE A 76 2.413 2.511 9.926 1.00 0.31 N ATOM 654 CA ILE A 76 1.558 3.680 9.607 1.00 0.29 C ATOM 655 C ILE A 76 0.087 3.261 9.472 1.00 0.28 C ATOM 656 O ILE A 76 -0.791 3.913 10.038 1.00 0.28 O ATOM 657 CB ILE A 76 2.068 4.412 8.336 1.00 0.29 C ATOM 658 CG1 ILE A 76 3.330 5.226 8.688 1.00 0.28 C ATOM 659 CG2 ILE A 76 1.012 5.352 7.715 1.00 0.32 C ATOM 660 CD1 ILE A 76 4.103 5.737 7.466 1.00 0.31 C ATOM 0 H ILE A 76 3.185 2.362 9.276 1.00 0.31 H new ATOM 0 HA ILE A 76 1.622 4.386 10.435 1.00 0.29 H new ATOM 0 HB ILE A 76 2.292 3.646 7.594 1.00 0.29 H new ATOM 0 HG12 ILE A 76 3.041 6.077 9.304 1.00 0.28 H new ATOM 0 HG13 ILE A 76 3.993 4.606 9.292 1.00 0.28 H new ATOM 0 HG21 ILE A 76 1.429 5.834 6.831 1.00 0.32 H new ATOM 0 HG22 ILE A 76 0.132 4.774 7.433 1.00 0.32 H new ATOM 0 HG23 ILE A 76 0.729 6.112 8.443 1.00 0.32 H new ATOM 0 HD11 ILE A 76 4.976 6.299 7.797 1.00 0.31 H new ATOM 0 HD12 ILE A 76 4.425 4.891 6.859 1.00 0.31 H new ATOM 0 HD13 ILE A 76 3.458 6.385 6.872 1.00 0.31 H new ATOM 672 N LEU A 77 -0.183 2.150 8.784 1.00 0.26 N ATOM 673 CA LEU A 77 -1.531 1.601 8.641 1.00 0.26 C ATOM 674 C LEU A 77 -2.149 1.221 9.995 1.00 0.29 C ATOM 675 O LEU A 77 -3.197 1.769 10.347 1.00 0.31 O ATOM 676 CB LEU A 77 -1.496 0.434 7.638 1.00 0.28 C ATOM 677 CG LEU A 77 -1.330 0.914 6.185 1.00 0.29 C ATOM 678 CD1 LEU A 77 -0.997 -0.264 5.273 1.00 0.32 C ATOM 679 CD2 LEU A 77 -2.611 1.571 5.663 1.00 0.34 C ATOM 0 H LEU A 77 0.534 1.603 8.307 1.00 0.26 H new ATOM 0 HA LEU A 77 -2.192 2.370 8.241 1.00 0.26 H new ATOM 0 HB2 LEU A 77 -0.675 -0.236 7.893 1.00 0.28 H new ATOM 0 HB3 LEU A 77 -2.417 -0.143 7.724 1.00 0.28 H new ATOM 0 HG LEU A 77 -0.520 1.644 6.179 1.00 0.29 H new ATOM 0 HD11 LEU A 77 -0.882 0.090 4.248 1.00 0.32 H new ATOM 0 HD12 LEU A 77 -0.067 -0.728 5.603 1.00 0.32 H new ATOM 0 HD13 LEU A 77 -1.803 -0.996 5.316 1.00 0.32 H new ATOM 0 HD21 LEU A 77 -2.459 1.898 4.634 1.00 0.34 H new ATOM 0 HD22 LEU A 77 -3.429 0.852 5.698 1.00 0.34 H new ATOM 0 HD23 LEU A 77 -2.858 2.431 6.285 1.00 0.34 H new ATOM 691 N ARG A 78 -1.501 0.369 10.802 1.00 0.32 N ATOM 692 CA ARG A 78 -2.035 -0.060 12.092 1.00 0.39 C ATOM 693 C ARG A 78 -2.185 1.054 13.131 1.00 0.41 C ATOM 694 O ARG A 78 -3.099 0.994 13.952 1.00 0.48 O ATOM 695 CB ARG A 78 -1.217 -1.252 12.585 1.00 0.49 C ATOM 696 CG ARG A 78 -0.058 -0.926 13.541 1.00 0.63 C ATOM 697 CD ARG A 78 0.545 -2.159 14.228 1.00 0.94 C ATOM 698 NE ARG A 78 1.053 -3.164 13.277 1.00 1.90 N ATOM 699 CZ ARG A 78 0.390 -4.198 12.792 1.00 3.19 C ATOM 700 NH1 ARG A 78 -0.852 -4.462 13.070 1.00 4.02 N ATOM 701 NH2 ARG A 78 0.963 -5.029 11.980 1.00 4.68 N ATOM 0 H ARG A 78 -0.594 -0.039 10.575 1.00 0.32 H new ATOM 0 HA ARG A 78 -3.069 -0.370 11.940 1.00 0.39 H new ATOM 0 HB2 ARG A 78 -1.891 -1.947 13.086 1.00 0.49 H new ATOM 0 HB3 ARG A 78 -0.811 -1.772 11.717 1.00 0.49 H new ATOM 0 HG2 ARG A 78 0.726 -0.412 12.985 1.00 0.63 H new ATOM 0 HG3 ARG A 78 -0.413 -0.234 14.304 1.00 0.63 H new ATOM 0 HD2 ARG A 78 1.359 -1.842 14.880 1.00 0.94 H new ATOM 0 HD3 ARG A 78 -0.212 -2.619 14.863 1.00 0.94 H new ATOM 0 HE ARG A 78 2.016 -3.049 12.961 1.00 1.90 H new ATOM 0 HH11 ARG A 78 -1.375 -3.852 13.698 1.00 4.02 H new ATOM 0 HH12 ARG A 78 -1.304 -5.279 12.660 1.00 4.02 H new ATOM 0 HH21 ARG A 78 1.936 -4.888 11.709 1.00 4.68 H new ATOM 0 HH22 ARG A 78 0.441 -5.824 11.612 1.00 4.68 H new ATOM 715 N LEU A 79 -1.339 2.084 13.085 1.00 0.39 N ATOM 716 CA LEU A 79 -1.443 3.284 13.918 1.00 0.42 C ATOM 717 C LEU A 79 -2.699 4.094 13.572 1.00 0.41 C ATOM 718 O LEU A 79 -3.391 4.578 14.467 1.00 0.47 O ATOM 719 CB LEU A 79 -0.179 4.121 13.687 1.00 0.44 C ATOM 720 CG LEU A 79 1.095 3.536 14.323 1.00 0.52 C ATOM 721 CD1 LEU A 79 2.281 4.366 13.830 1.00 0.53 C ATOM 722 CD2 LEU A 79 1.049 3.557 15.845 1.00 0.71 C ATOM 0 H LEU A 79 -0.541 2.108 12.450 1.00 0.39 H new ATOM 0 HA LEU A 79 -1.528 3.001 14.967 1.00 0.42 H new ATOM 0 HB2 LEU A 79 -0.019 4.227 12.614 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -0.343 5.122 14.086 1.00 0.44 H new ATOM 0 HG LEU A 79 1.187 2.491 14.028 1.00 0.52 H new ATOM 0 HD11 LEU A 79 3.202 3.977 14.263 1.00 0.53 H new ATOM 0 HD12 LEU A 79 2.338 4.309 12.743 1.00 0.53 H new ATOM 0 HD13 LEU A 79 2.149 5.405 14.132 1.00 0.53 H new ATOM 0 HD21 LEU A 79 1.971 3.133 16.243 1.00 0.71 H new ATOM 0 HD22 LEU A 79 0.943 4.585 16.192 1.00 0.71 H new ATOM 0 HD23 LEU A 79 0.200 2.968 16.192 1.00 0.71 H new ATOM 734 N HIS A 80 -3.038 4.154 12.283 1.00 0.35 N ATOM 735 CA HIS A 80 -4.314 4.649 11.770 1.00 0.36 C ATOM 736 C HIS A 80 -5.494 3.669 11.965 1.00 0.40 C ATOM 737 O HIS A 80 -6.608 3.970 11.532 1.00 0.45 O ATOM 738 CB HIS A 80 -4.117 5.058 10.300 1.00 0.31 C ATOM 739 CG HIS A 80 -3.543 6.444 10.152 1.00 0.32 C ATOM 740 ND1 HIS A 80 -4.241 7.595 10.391 1.00 0.34 N ATOM 741 CD2 HIS A 80 -2.280 6.822 9.777 1.00 0.34 C ATOM 742 CE1 HIS A 80 -3.452 8.645 10.159 1.00 0.36 C ATOM 743 NE2 HIS A 80 -2.233 8.228 9.759 1.00 0.37 N ATOM 0 H HIS A 80 -2.408 3.848 11.542 1.00 0.35 H new ATOM 0 HA HIS A 80 -4.607 5.518 12.359 1.00 0.36 H new ATOM 0 HB2 HIS A 80 -3.455 4.342 9.814 1.00 0.31 H new ATOM 0 HB3 HIS A 80 -5.075 5.009 9.782 1.00 0.31 H new ATOM 0 HD2 HIS A 80 -1.464 6.157 9.537 1.00 0.34 H new ATOM 0 HE1 HIS A 80 -3.746 9.678 10.274 1.00 0.36 H new ATOM 0 HE2 HIS A 80 -1.439 8.813 9.497 1.00 0.37 H new ATOM 751 N GLY A 81 -5.307 2.530 12.642 1.00 0.41 N ATOM 752 CA GLY A 81 -6.361 1.541 12.908 1.00 0.48 C ATOM 753 C GLY A 81 -6.559 0.494 11.803 1.00 0.50 C ATOM 754 O GLY A 81 -7.471 -0.329 11.896 1.00 0.66 O ATOM 0 H GLY A 81 -4.401 2.264 13.028 1.00 0.41 H new ATOM 0 HA2 GLY A 81 -6.128 1.025 13.840 1.00 0.48 H new ATOM 0 HA3 GLY A 81 -7.303 2.068 13.062 1.00 0.48 H new ATOM 758 N VAL A 82 -5.735 0.526 10.751 1.00 0.39 N ATOM 759 CA VAL A 82 -5.917 -0.262 9.525 1.00 0.40 C ATOM 760 C VAL A 82 -5.108 -1.559 9.567 1.00 0.39 C ATOM 761 O VAL A 82 -3.878 -1.541 9.547 1.00 0.46 O ATOM 762 CB VAL A 82 -5.592 0.559 8.261 1.00 0.44 C ATOM 763 CG1 VAL A 82 -5.997 -0.218 7.002 1.00 0.45 C ATOM 764 CG2 VAL A 82 -6.325 1.906 8.219 1.00 0.52 C ATOM 0 H VAL A 82 -4.902 1.115 10.726 1.00 0.39 H new ATOM 0 HA VAL A 82 -6.972 -0.532 9.473 1.00 0.40 H new ATOM 0 HB VAL A 82 -4.518 0.741 8.293 1.00 0.44 H new ATOM 0 HG11 VAL A 82 -5.762 0.374 6.118 1.00 0.45 H new ATOM 0 HG12 VAL A 82 -5.450 -1.160 6.964 1.00 0.45 H new ATOM 0 HG13 VAL A 82 -7.068 -0.421 7.028 1.00 0.45 H new ATOM 0 HG21 VAL A 82 -6.056 2.438 7.307 1.00 0.52 H new ATOM 0 HG22 VAL A 82 -7.401 1.735 8.236 1.00 0.52 H new ATOM 0 HG23 VAL A 82 -6.039 2.503 9.085 1.00 0.52 H new ATOM 774 N ARG A 83 -5.816 -2.691 9.563 1.00 0.35 N ATOM 775 CA ARG A 83 -5.306 -4.064 9.549 1.00 0.42 C ATOM 776 C ARG A 83 -5.996 -4.951 8.507 1.00 0.46 C ATOM 777 O ARG A 83 -5.607 -6.099 8.315 1.00 0.64 O ATOM 778 CB ARG A 83 -5.354 -4.653 10.961 1.00 0.58 C ATOM 779 CG ARG A 83 -6.705 -4.584 11.675 1.00 0.78 C ATOM 780 CD ARG A 83 -7.760 -5.578 11.160 1.00 1.93 C ATOM 781 NE ARG A 83 -8.945 -5.599 12.034 1.00 2.27 N ATOM 782 CZ ARG A 83 -9.974 -6.421 11.947 1.00 3.22 C ATOM 783 NH1 ARG A 83 -10.101 -7.308 11.009 1.00 4.33 N ATOM 784 NH2 ARG A 83 -10.934 -6.381 12.819 1.00 3.68 N ATOM 0 H ARG A 83 -6.836 -2.670 9.570 1.00 0.35 H new ATOM 0 HA ARG A 83 -4.264 -4.031 9.232 1.00 0.42 H new ATOM 0 HB2 ARG A 83 -5.048 -5.698 10.907 1.00 0.58 H new ATOM 0 HB3 ARG A 83 -4.616 -4.136 11.574 1.00 0.58 H new ATOM 0 HG2 ARG A 83 -6.547 -4.762 12.739 1.00 0.78 H new ATOM 0 HG3 ARG A 83 -7.101 -3.573 11.577 1.00 0.78 H new ATOM 0 HD2 ARG A 83 -8.057 -5.305 10.147 1.00 1.93 H new ATOM 0 HD3 ARG A 83 -7.327 -6.577 11.107 1.00 1.93 H new ATOM 0 HE ARG A 83 -8.974 -4.908 12.783 1.00 2.27 H new ATOM 0 HH11 ARG A 83 -9.383 -7.396 10.289 1.00 4.33 H new ATOM 0 HH12 ARG A 83 -10.918 -7.918 10.991 1.00 4.33 H new ATOM 0 HH21 ARG A 83 -10.900 -5.708 13.585 1.00 3.68 H new ATOM 0 HH22 ARG A 83 -11.723 -7.023 12.739 1.00 3.68 H new ATOM 798 N ASP A 84 -7.015 -4.397 7.851 1.00 0.46 N ATOM 799 CA ASP A 84 -7.844 -5.004 6.811 1.00 0.53 C ATOM 800 C ASP A 84 -7.431 -4.566 5.391 1.00 0.43 C ATOM 801 O ASP A 84 -8.257 -4.504 4.479 1.00 0.54 O ATOM 802 CB ASP A 84 -9.325 -4.769 7.138 1.00 0.85 C ATOM 803 CG ASP A 84 -10.254 -5.639 6.296 1.00 2.40 C ATOM 804 OD1 ASP A 84 -10.087 -6.886 6.270 1.00 3.70 O ATOM 805 OD2 ASP A 84 -11.208 -5.093 5.695 1.00 3.46 O ATOM 0 H ASP A 84 -7.304 -3.439 8.048 1.00 0.46 H new ATOM 0 HA ASP A 84 -7.679 -6.082 6.806 1.00 0.53 H new ATOM 0 HB2 ASP A 84 -9.498 -4.975 8.194 1.00 0.85 H new ATOM 0 HB3 ASP A 84 -9.568 -3.719 6.974 1.00 0.85 H new ATOM 810 N TYR A 85 -6.142 -4.256 5.191 1.00 0.35 N ATOM 811 CA TYR A 85 -5.579 -4.284 3.849 1.00 0.33 C ATOM 812 C TYR A 85 -5.530 -5.737 3.339 1.00 0.35 C ATOM 813 O TYR A 85 -5.522 -6.708 4.104 1.00 0.39 O ATOM 814 CB TYR A 85 -4.132 -3.714 3.823 1.00 0.30 C ATOM 815 CG TYR A 85 -3.259 -4.216 4.946 1.00 0.31 C ATOM 816 CD1 TYR A 85 -2.728 -5.504 4.814 1.00 1.74 C ATOM 817 CD2 TYR A 85 -3.084 -3.483 6.139 1.00 1.69 C ATOM 818 CE1 TYR A 85 -2.110 -6.121 5.917 1.00 1.79 C ATOM 819 CE2 TYR A 85 -2.399 -4.068 7.219 1.00 1.67 C ATOM 820 CZ TYR A 85 -1.953 -5.402 7.123 1.00 0.45 C ATOM 821 OH TYR A 85 -1.419 -6.010 8.211 1.00 0.57 O ATOM 0 H TYR A 85 -5.489 -3.990 5.928 1.00 0.35 H new ATOM 0 HA TYR A 85 -6.215 -3.668 3.214 1.00 0.33 H new ATOM 0 HB2 TYR A 85 -3.667 -3.971 2.871 1.00 0.30 H new ATOM 0 HB3 TYR A 85 -4.179 -2.626 3.871 1.00 0.30 H new ATOM 0 HD1 TYR A 85 -2.792 -6.022 3.869 1.00 1.74 H new ATOM 0 HD2 TYR A 85 -3.474 -2.479 6.222 1.00 1.69 H new ATOM 0 HE1 TYR A 85 -1.757 -7.139 5.842 1.00 1.79 H new ATOM 0 HE2 TYR A 85 -2.215 -3.498 8.118 1.00 1.67 H new ATOM 0 HH TYR A 85 -1.381 -5.374 8.955 1.00 0.57 H new ATOM 831 N ALA A 86 -5.390 -5.864 2.024 1.00 0.38 N ATOM 832 CA ALA A 86 -4.776 -7.024 1.394 1.00 0.39 C ATOM 833 C ALA A 86 -3.299 -6.699 1.165 1.00 0.37 C ATOM 834 O ALA A 86 -2.996 -5.675 0.550 1.00 0.50 O ATOM 835 CB ALA A 86 -5.536 -7.347 0.106 1.00 0.45 C ATOM 0 H ALA A 86 -5.703 -5.156 1.360 1.00 0.38 H new ATOM 0 HA ALA A 86 -4.829 -7.916 2.018 1.00 0.39 H new ATOM 0 HB1 ALA A 86 -5.085 -8.215 -0.375 1.00 0.45 H new ATOM 0 HB2 ALA A 86 -6.578 -7.564 0.343 1.00 0.45 H new ATOM 0 HB3 ALA A 86 -5.488 -6.492 -0.569 1.00 0.45 H new ATOM 841 N ALA A 87 -2.381 -7.505 1.711 1.00 0.36 N ATOM 842 CA ALA A 87 -0.943 -7.246 1.618 1.00 0.32 C ATOM 843 C ALA A 87 -0.318 -8.214 0.593 1.00 0.29 C ATOM 844 O ALA A 87 -0.042 -9.366 0.929 1.00 0.34 O ATOM 845 CB ALA A 87 -0.268 -7.428 2.993 1.00 0.37 C ATOM 0 H ALA A 87 -2.615 -8.353 2.228 1.00 0.36 H new ATOM 0 HA ALA A 87 -0.788 -6.217 1.294 1.00 0.32 H new ATOM 0 HB1 ALA A 87 0.800 -7.231 2.903 1.00 0.37 H new ATOM 0 HB2 ALA A 87 -0.706 -6.732 3.708 1.00 0.37 H new ATOM 0 HB3 ALA A 87 -0.420 -8.450 3.341 1.00 0.37 H new ATOM 851 N TYR A 88 -0.080 -7.779 -0.640 1.00 0.28 N ATOM 852 CA TYR A 88 0.556 -8.570 -1.691 1.00 0.27 C ATOM 853 C TYR A 88 2.068 -8.657 -1.519 1.00 0.26 C ATOM 854 O TYR A 88 2.784 -7.674 -1.743 1.00 0.31 O ATOM 855 CB TYR A 88 0.195 -7.968 -3.053 1.00 0.31 C ATOM 856 CG TYR A 88 -1.229 -8.243 -3.484 1.00 0.42 C ATOM 857 CD1 TYR A 88 -1.521 -9.426 -4.184 1.00 1.91 C ATOM 858 CD2 TYR A 88 -2.251 -7.311 -3.216 1.00 1.78 C ATOM 859 CE1 TYR A 88 -2.819 -9.655 -4.672 1.00 2.00 C ATOM 860 CE2 TYR A 88 -3.547 -7.522 -3.737 1.00 1.80 C ATOM 861 CZ TYR A 88 -3.827 -8.687 -4.480 1.00 0.76 C ATOM 862 OH TYR A 88 -5.054 -8.851 -5.040 1.00 1.01 O ATOM 0 H TYR A 88 -0.331 -6.839 -0.946 1.00 0.28 H new ATOM 0 HA TYR A 88 0.182 -9.592 -1.625 1.00 0.27 H new ATOM 0 HB2 TYR A 88 0.352 -6.890 -3.016 1.00 0.31 H new ATOM 0 HB3 TYR A 88 0.876 -8.364 -3.807 1.00 0.31 H new ATOM 0 HD1 TYR A 88 -0.746 -10.161 -4.347 1.00 1.91 H new ATOM 0 HD2 TYR A 88 -2.044 -6.438 -2.614 1.00 1.78 H new ATOM 0 HE1 TYR A 88 -3.045 -10.573 -5.194 1.00 2.00 H new ATOM 0 HE2 TYR A 88 -4.323 -6.791 -3.566 1.00 1.80 H new ATOM 0 HH TYR A 88 -5.625 -8.090 -4.805 1.00 1.01 H new ATOM 872 N ASN A 89 2.554 -9.870 -1.234 1.00 0.36 N ATOM 873 CA ASN A 89 3.913 -10.248 -1.480 1.00 0.36 C ATOM 874 C ASN A 89 4.180 -10.452 -2.974 1.00 0.39 C ATOM 875 O ASN A 89 3.644 -11.378 -3.594 1.00 0.59 O ATOM 876 CB ASN A 89 4.190 -11.526 -0.700 1.00 0.51 C ATOM 877 CG ASN A 89 5.670 -11.716 -0.529 1.00 1.18 C ATOM 878 OD1 ASN A 89 6.488 -11.237 -1.301 1.00 2.30 O ATOM 879 ND2 ASN A 89 6.048 -12.416 0.498 1.00 1.08 N ATOM 0 H ASN A 89 1.991 -10.613 -0.821 1.00 0.36 H new ATOM 0 HA ASN A 89 4.580 -9.451 -1.152 1.00 0.36 H new ATOM 0 HB2 ASN A 89 3.707 -11.478 0.276 1.00 0.51 H new ATOM 0 HB3 ASN A 89 3.764 -12.381 -1.225 1.00 0.51 H new ATOM 0 HD21 ASN A 89 7.041 -12.573 0.670 1.00 1.08 H new ATOM 0 HD22 ASN A 89 5.352 -12.808 1.132 1.00 1.08 H new ATOM 886 N VAL A 90 5.053 -9.623 -3.539 1.00 0.33 N ATOM 887 CA VAL A 90 5.490 -9.744 -4.942 1.00 0.43 C ATOM 888 C VAL A 90 6.657 -10.722 -5.165 1.00 0.57 C ATOM 889 O VAL A 90 6.990 -11.030 -6.307 1.00 0.88 O ATOM 890 CB VAL A 90 5.716 -8.369 -5.591 1.00 0.47 C ATOM 891 CG1 VAL A 90 4.476 -7.483 -5.386 1.00 0.44 C ATOM 892 CG2 VAL A 90 6.959 -7.639 -5.070 1.00 0.53 C ATOM 0 H VAL A 90 5.483 -8.843 -3.042 1.00 0.33 H new ATOM 0 HA VAL A 90 4.657 -10.210 -5.468 1.00 0.43 H new ATOM 0 HB VAL A 90 5.885 -8.556 -6.651 1.00 0.47 H new ATOM 0 HG11 VAL A 90 4.643 -6.510 -5.848 1.00 0.44 H new ATOM 0 HG12 VAL A 90 3.609 -7.959 -5.845 1.00 0.44 H new ATOM 0 HG13 VAL A 90 4.295 -7.351 -4.319 1.00 0.44 H new ATOM 0 HG21 VAL A 90 7.054 -6.677 -5.573 1.00 0.53 H new ATOM 0 HG22 VAL A 90 6.864 -7.479 -3.996 1.00 0.53 H new ATOM 0 HG23 VAL A 90 7.845 -8.241 -5.270 1.00 0.53 H new ATOM 902 N LEU A 91 7.234 -11.298 -4.103 1.00 0.49 N ATOM 903 CA LEU A 91 8.165 -12.437 -4.201 1.00 0.65 C ATOM 904 C LEU A 91 7.440 -13.742 -4.551 1.00 0.65 C ATOM 905 O LEU A 91 8.030 -14.649 -5.142 1.00 0.82 O ATOM 906 CB LEU A 91 8.921 -12.627 -2.879 1.00 0.75 C ATOM 907 CG LEU A 91 9.792 -11.433 -2.474 1.00 0.93 C ATOM 908 CD1 LEU A 91 10.297 -11.664 -1.058 1.00 0.98 C ATOM 909 CD2 LEU A 91 10.988 -11.247 -3.413 1.00 1.39 C ATOM 0 H LEU A 91 7.069 -10.988 -3.145 1.00 0.49 H new ATOM 0 HA LEU A 91 8.866 -12.205 -5.003 1.00 0.65 H new ATOM 0 HB2 LEU A 91 8.199 -12.821 -2.086 1.00 0.75 H new ATOM 0 HB3 LEU A 91 9.552 -13.512 -2.959 1.00 0.75 H new ATOM 0 HG LEU A 91 9.185 -10.530 -2.534 1.00 0.93 H new ATOM 0 HD11 LEU A 91 10.920 -10.823 -0.752 1.00 0.98 H new ATOM 0 HD12 LEU A 91 9.449 -11.753 -0.379 1.00 0.98 H new ATOM 0 HD13 LEU A 91 10.885 -12.581 -1.027 1.00 0.98 H new ATOM 0 HD21 LEU A 91 11.577 -10.389 -3.087 1.00 1.39 H new ATOM 0 HD22 LEU A 91 11.609 -12.142 -3.393 1.00 1.39 H new ATOM 0 HD23 LEU A 91 10.630 -11.077 -4.428 1.00 1.39 H new ATOM 921 N ASP A 92 6.141 -13.806 -4.247 1.00 0.64 N ATOM 922 CA ASP A 92 5.314 -14.998 -4.421 1.00 0.83 C ATOM 923 C ASP A 92 5.125 -15.357 -5.899 1.00 0.72 C ATOM 924 O ASP A 92 5.124 -16.536 -6.249 1.00 0.95 O ATOM 925 CB ASP A 92 3.965 -14.747 -3.753 1.00 1.07 C ATOM 926 CG ASP A 92 3.249 -16.034 -3.331 1.00 1.46 C ATOM 927 OD1 ASP A 92 3.807 -16.807 -2.512 1.00 1.78 O ATOM 928 OD2 ASP A 92 2.136 -16.298 -3.842 1.00 2.80 O ATOM 0 H ASP A 92 5.626 -13.013 -3.865 1.00 0.64 H new ATOM 0 HA ASP A 92 5.816 -15.847 -3.957 1.00 0.83 H new ATOM 0 HB2 ASP A 92 4.113 -14.118 -2.876 1.00 1.07 H new ATOM 0 HB3 ASP A 92 3.325 -14.192 -4.439 1.00 1.07 H new ATOM 933 N ASP A 93 5.020 -14.339 -6.759 1.00 0.50 N ATOM 934 CA ASP A 93 4.846 -14.460 -8.200 1.00 0.53 C ATOM 935 C ASP A 93 5.645 -13.404 -9.004 1.00 0.51 C ATOM 936 O ASP A 93 5.495 -12.197 -8.770 1.00 0.45 O ATOM 937 CB ASP A 93 3.358 -14.282 -8.489 1.00 0.78 C ATOM 938 CG ASP A 93 2.551 -15.556 -8.233 1.00 0.96 C ATOM 939 OD1 ASP A 93 2.748 -16.553 -8.967 1.00 2.28 O ATOM 940 OD2 ASP A 93 1.662 -15.553 -7.349 1.00 1.76 O ATOM 0 H ASP A 93 5.056 -13.367 -6.451 1.00 0.50 H new ATOM 0 HA ASP A 93 5.222 -15.435 -8.511 1.00 0.53 H new ATOM 0 HB2 ASP A 93 2.965 -13.477 -7.868 1.00 0.78 H new ATOM 0 HB3 ASP A 93 3.228 -13.977 -9.527 1.00 0.78 H new ATOM 945 N PRO A 94 6.415 -13.804 -10.037 1.00 0.63 N ATOM 946 CA PRO A 94 7.173 -12.862 -10.863 1.00 0.65 C ATOM 947 C PRO A 94 6.263 -12.002 -11.750 1.00 0.60 C ATOM 948 O PRO A 94 6.643 -10.920 -12.197 1.00 0.59 O ATOM 949 CB PRO A 94 8.110 -13.740 -11.686 1.00 0.84 C ATOM 950 CG PRO A 94 7.314 -15.029 -11.881 1.00 0.90 C ATOM 951 CD PRO A 94 6.576 -15.162 -10.546 1.00 0.80 C ATOM 0 HA PRO A 94 7.718 -12.139 -10.255 1.00 0.65 H new ATOM 0 HB2 PRO A 94 8.361 -13.275 -12.640 1.00 0.84 H new ATOM 0 HB3 PRO A 94 9.049 -13.924 -11.164 1.00 0.84 H new ATOM 0 HG2 PRO A 94 6.624 -14.958 -12.722 1.00 0.90 H new ATOM 0 HG3 PRO A 94 7.964 -15.883 -12.073 1.00 0.90 H new ATOM 0 HD2 PRO A 94 5.608 -15.645 -10.682 1.00 0.80 H new ATOM 0 HD3 PRO A 94 7.143 -15.776 -9.846 1.00 0.80 H new ATOM 959 N GLU A 95 5.035 -12.457 -11.995 1.00 0.61 N ATOM 960 CA GLU A 95 3.956 -11.712 -12.614 1.00 0.62 C ATOM 961 C GLU A 95 3.541 -10.494 -11.782 1.00 0.53 C ATOM 962 O GLU A 95 3.439 -9.388 -12.313 1.00 0.54 O ATOM 963 CB GLU A 95 2.787 -12.668 -12.758 1.00 0.71 C ATOM 964 CG GLU A 95 3.101 -13.896 -13.629 1.00 0.82 C ATOM 965 CD GLU A 95 3.472 -13.587 -15.088 1.00 1.94 C ATOM 966 OE1 GLU A 95 2.822 -12.719 -15.726 1.00 3.02 O ATOM 967 OE2 GLU A 95 4.388 -14.257 -15.626 1.00 2.94 O ATOM 0 H GLU A 95 4.758 -13.408 -11.751 1.00 0.61 H new ATOM 0 HA GLU A 95 4.284 -11.327 -13.579 1.00 0.62 H new ATOM 0 HB2 GLU A 95 2.479 -13.004 -11.768 1.00 0.71 H new ATOM 0 HB3 GLU A 95 1.942 -12.133 -13.190 1.00 0.71 H new ATOM 0 HG2 GLU A 95 3.923 -14.446 -13.171 1.00 0.82 H new ATOM 0 HG3 GLU A 95 2.234 -14.556 -13.624 1.00 0.82 H new ATOM 974 N LEU A 96 3.394 -10.685 -10.463 1.00 0.47 N ATOM 975 CA LEU A 96 3.169 -9.586 -9.525 1.00 0.41 C ATOM 976 C LEU A 96 4.393 -8.660 -9.494 1.00 0.36 C ATOM 977 O LEU A 96 4.245 -7.440 -9.525 1.00 0.38 O ATOM 978 CB LEU A 96 2.895 -10.084 -8.088 1.00 0.44 C ATOM 979 CG LEU A 96 1.553 -10.775 -7.803 1.00 0.48 C ATOM 980 CD1 LEU A 96 1.524 -11.204 -6.328 1.00 0.56 C ATOM 981 CD2 LEU A 96 0.362 -9.846 -8.047 1.00 0.64 C ATOM 0 H LEU A 96 3.428 -11.604 -10.022 1.00 0.47 H new ATOM 0 HA LEU A 96 2.287 -9.050 -9.877 1.00 0.41 H new ATOM 0 HB2 LEU A 96 3.691 -10.778 -7.819 1.00 0.44 H new ATOM 0 HB3 LEU A 96 2.978 -9.229 -7.418 1.00 0.44 H new ATOM 0 HG LEU A 96 1.469 -11.627 -8.477 1.00 0.48 H new ATOM 0 HD11 LEU A 96 0.576 -11.696 -6.111 1.00 0.56 H new ATOM 0 HD12 LEU A 96 2.345 -11.895 -6.134 1.00 0.56 H new ATOM 0 HD13 LEU A 96 1.631 -10.326 -5.691 1.00 0.56 H new ATOM 0 HD21 LEU A 96 -0.565 -10.378 -7.832 1.00 0.64 H new ATOM 0 HD22 LEU A 96 0.440 -8.976 -7.395 1.00 0.64 H new ATOM 0 HD23 LEU A 96 0.361 -9.521 -9.087 1.00 0.64 H new ATOM 993 N ARG A 97 5.599 -9.247 -9.461 1.00 0.37 N ATOM 994 CA ARG A 97 6.874 -8.505 -9.405 1.00 0.39 C ATOM 995 C ARG A 97 7.047 -7.537 -10.579 1.00 0.40 C ATOM 996 O ARG A 97 7.201 -6.333 -10.377 1.00 0.40 O ATOM 997 CB ARG A 97 8.032 -9.510 -9.341 1.00 0.48 C ATOM 998 CG ARG A 97 9.345 -8.865 -8.887 1.00 0.61 C ATOM 999 CD ARG A 97 10.469 -9.904 -8.927 1.00 0.85 C ATOM 1000 NE ARG A 97 10.895 -10.209 -10.307 1.00 2.06 N ATOM 1001 CZ ARG A 97 11.517 -11.307 -10.702 1.00 2.66 C ATOM 1002 NH1 ARG A 97 11.834 -12.271 -9.889 1.00 2.07 N ATOM 1003 NH2 ARG A 97 11.837 -11.477 -11.948 1.00 4.04 N ATOM 0 H ARG A 97 5.721 -10.260 -9.472 1.00 0.37 H new ATOM 0 HA ARG A 97 6.869 -7.887 -8.507 1.00 0.39 H new ATOM 0 HB2 ARG A 97 7.771 -10.316 -8.656 1.00 0.48 H new ATOM 0 HB3 ARG A 97 8.173 -9.960 -10.324 1.00 0.48 H new ATOM 0 HG2 ARG A 97 9.591 -8.023 -9.534 1.00 0.61 H new ATOM 0 HG3 ARG A 97 9.237 -8.470 -7.877 1.00 0.61 H new ATOM 0 HD2 ARG A 97 11.323 -9.536 -8.358 1.00 0.85 H new ATOM 0 HD3 ARG A 97 10.133 -10.820 -8.441 1.00 0.85 H new ATOM 0 HE ARG A 97 10.691 -9.509 -11.021 1.00 2.06 H new ATOM 0 HH11 ARG A 97 11.603 -12.199 -8.898 1.00 2.07 H new ATOM 0 HH12 ARG A 97 12.314 -13.099 -10.242 1.00 2.07 H new ATOM 0 HH21 ARG A 97 11.609 -10.759 -12.636 1.00 4.04 H new ATOM 0 HH22 ARG A 97 12.317 -12.329 -12.240 1.00 4.04 H new ATOM 1017 N GLN A 98 6.953 -8.048 -11.802 1.00 0.44 N ATOM 1018 CA GLN A 98 7.080 -7.236 -13.015 1.00 0.48 C ATOM 1019 C GLN A 98 5.890 -6.298 -13.178 1.00 0.48 C ATOM 1020 O GLN A 98 6.057 -5.120 -13.501 1.00 0.53 O ATOM 1021 CB GLN A 98 7.220 -8.178 -14.218 1.00 0.55 C ATOM 1022 CG GLN A 98 7.767 -7.486 -15.476 1.00 0.95 C ATOM 1023 CD GLN A 98 7.919 -8.445 -16.654 1.00 1.54 C ATOM 1024 OE1 GLN A 98 9.016 -8.818 -17.070 1.00 2.25 O ATOM 1025 NE2 GLN A 98 6.837 -8.849 -17.276 1.00 2.11 N ATOM 0 H GLN A 98 6.786 -9.038 -11.984 1.00 0.44 H new ATOM 0 HA GLN A 98 7.966 -6.605 -12.943 1.00 0.48 H new ATOM 0 HB2 GLN A 98 7.881 -9.002 -13.949 1.00 0.55 H new ATOM 0 HB3 GLN A 98 6.246 -8.612 -14.445 1.00 0.55 H new ATOM 0 HG2 GLN A 98 7.099 -6.672 -15.758 1.00 0.95 H new ATOM 0 HG3 GLN A 98 8.735 -7.039 -15.249 1.00 0.95 H new ATOM 0 HE21 GLN A 98 5.919 -8.551 -16.947 1.00 2.11 H new ATOM 0 HE22 GLN A 98 6.914 -9.461 -18.088 1.00 2.11 H new ATOM 1034 N GLY A 99 4.703 -6.812 -12.854 1.00 0.46 N ATOM 1035 CA GLY A 99 3.477 -6.028 -12.835 1.00 0.51 C ATOM 1036 C GLY A 99 3.610 -4.756 -11.993 1.00 0.49 C ATOM 1037 O GLY A 99 3.245 -3.683 -12.474 1.00 0.54 O ATOM 0 H GLY A 99 4.569 -7.790 -12.597 1.00 0.46 H new ATOM 0 HA2 GLY A 99 3.206 -5.758 -13.856 1.00 0.51 H new ATOM 0 HA3 GLY A 99 2.665 -6.638 -12.440 1.00 0.51 H new ATOM 1041 N ILE A 100 4.193 -4.840 -10.787 1.00 0.45 N ATOM 1042 CA ILE A 100 4.316 -3.706 -9.866 1.00 0.49 C ATOM 1043 C ILE A 100 5.518 -2.810 -10.175 1.00 0.52 C ATOM 1044 O ILE A 100 5.405 -1.586 -10.073 1.00 0.59 O ATOM 1045 CB ILE A 100 4.264 -4.184 -8.413 1.00 0.48 C ATOM 1046 CG1 ILE A 100 3.686 -3.105 -7.489 1.00 0.57 C ATOM 1047 CG2 ILE A 100 5.616 -4.649 -7.841 1.00 0.47 C ATOM 1048 CD1 ILE A 100 2.344 -2.455 -7.851 1.00 0.70 C ATOM 0 H ILE A 100 4.594 -5.704 -10.424 1.00 0.45 H new ATOM 0 HA ILE A 100 3.453 -3.059 -10.020 1.00 0.49 H new ATOM 0 HB ILE A 100 3.611 -5.056 -8.443 1.00 0.48 H new ATOM 0 HG12 ILE A 100 3.582 -3.543 -6.496 1.00 0.57 H new ATOM 0 HG13 ILE A 100 4.426 -2.309 -7.410 1.00 0.57 H new ATOM 0 HG21 ILE A 100 5.483 -4.970 -6.808 1.00 0.47 H new ATOM 0 HG22 ILE A 100 5.995 -5.482 -8.433 1.00 0.47 H new ATOM 0 HG23 ILE A 100 6.329 -3.825 -7.876 1.00 0.47 H new ATOM 0 HD11 ILE A 100 2.082 -1.716 -7.094 1.00 0.70 H new ATOM 0 HD12 ILE A 100 2.426 -1.967 -8.822 1.00 0.70 H new ATOM 0 HD13 ILE A 100 1.569 -3.220 -7.894 1.00 0.70 H new ATOM 1060 N LYS A 101 6.645 -3.391 -10.620 1.00 0.50 N ATOM 1061 CA LYS A 101 7.812 -2.628 -11.097 1.00 0.57 C ATOM 1062 C LYS A 101 7.453 -1.736 -12.284 1.00 0.62 C ATOM 1063 O LYS A 101 7.962 -0.618 -12.362 1.00 0.71 O ATOM 1064 CB LYS A 101 8.972 -3.574 -11.450 1.00 0.58 C ATOM 1065 CG LYS A 101 9.697 -4.074 -10.185 1.00 0.60 C ATOM 1066 CD LYS A 101 10.826 -5.076 -10.475 1.00 0.69 C ATOM 1067 CE LYS A 101 11.933 -4.445 -11.324 1.00 1.30 C ATOM 1068 NZ LYS A 101 13.095 -5.344 -11.513 1.00 1.49 N ATOM 0 H LYS A 101 6.773 -4.402 -10.659 1.00 0.50 H new ATOM 0 HA LYS A 101 8.136 -1.976 -10.286 1.00 0.57 H new ATOM 0 HB2 LYS A 101 8.590 -4.426 -12.013 1.00 0.58 H new ATOM 0 HB3 LYS A 101 9.681 -3.057 -12.097 1.00 0.58 H new ATOM 0 HG2 LYS A 101 10.111 -3.218 -9.652 1.00 0.60 H new ATOM 0 HG3 LYS A 101 8.970 -4.542 -9.521 1.00 0.60 H new ATOM 0 HD2 LYS A 101 11.246 -5.434 -9.535 1.00 0.69 H new ATOM 0 HD3 LYS A 101 10.419 -5.944 -10.993 1.00 0.69 H new ATOM 0 HE2 LYS A 101 11.527 -4.174 -12.299 1.00 1.30 H new ATOM 0 HE3 LYS A 101 12.267 -3.522 -10.850 1.00 1.30 H new ATOM 0 HZ1 LYS A 101 13.813 -4.866 -12.094 1.00 1.49 H new ATOM 0 HZ2 LYS A 101 13.503 -5.583 -10.587 1.00 1.49 H new ATOM 0 HZ3 LYS A 101 12.786 -6.215 -11.991 1.00 1.49 H new ATOM 1082 N ASP A 102 6.539 -2.175 -13.152 1.00 0.63 N ATOM 1083 CA ASP A 102 5.994 -1.334 -14.219 1.00 0.74 C ATOM 1084 C ASP A 102 4.915 -0.348 -13.714 1.00 0.78 C ATOM 1085 O ASP A 102 5.005 0.849 -13.984 1.00 0.82 O ATOM 1086 CB ASP A 102 5.477 -2.231 -15.350 1.00 0.79 C ATOM 1087 CG ASP A 102 5.220 -1.428 -16.624 1.00 0.98 C ATOM 1088 OD1 ASP A 102 6.165 -1.251 -17.431 1.00 1.73 O ATOM 1089 OD2 ASP A 102 4.073 -0.964 -16.836 1.00 1.81 O ATOM 0 H ASP A 102 6.157 -3.121 -13.135 1.00 0.63 H new ATOM 0 HA ASP A 102 6.795 -0.703 -14.603 1.00 0.74 H new ATOM 0 HB2 ASP A 102 6.204 -3.017 -15.554 1.00 0.79 H new ATOM 0 HB3 ASP A 102 4.556 -2.722 -15.035 1.00 0.79 H new ATOM 1094 N TYR A 103 3.928 -0.803 -12.930 1.00 0.82 N ATOM 1095 CA TYR A 103 2.772 0.010 -12.495 1.00 0.89 C ATOM 1096 C TYR A 103 3.145 1.169 -11.548 1.00 0.96 C ATOM 1097 O TYR A 103 2.606 2.277 -11.648 1.00 1.08 O ATOM 1098 CB TYR A 103 1.751 -0.933 -11.840 1.00 0.86 C ATOM 1099 CG TYR A 103 0.328 -0.430 -11.757 1.00 0.74 C ATOM 1100 CD1 TYR A 103 -0.043 0.469 -10.745 1.00 2.28 C ATOM 1101 CD2 TYR A 103 -0.641 -0.930 -12.648 1.00 1.64 C ATOM 1102 CE1 TYR A 103 -1.384 0.877 -10.623 1.00 2.20 C ATOM 1103 CE2 TYR A 103 -1.987 -0.536 -12.524 1.00 1.72 C ATOM 1104 CZ TYR A 103 -2.361 0.372 -11.508 1.00 0.66 C ATOM 1105 OH TYR A 103 -3.654 0.766 -11.389 1.00 0.72 O ATOM 0 H TYR A 103 3.905 -1.758 -12.573 1.00 0.82 H new ATOM 0 HA TYR A 103 2.349 0.496 -13.374 1.00 0.89 H new ATOM 0 HB2 TYR A 103 1.750 -1.872 -12.393 1.00 0.86 H new ATOM 0 HB3 TYR A 103 2.093 -1.158 -10.830 1.00 0.86 H new ATOM 0 HD1 TYR A 103 0.701 0.848 -10.060 1.00 2.28 H new ATOM 0 HD2 TYR A 103 -0.351 -1.618 -13.429 1.00 1.64 H new ATOM 0 HE1 TYR A 103 -1.666 1.578 -9.851 1.00 2.20 H new ATOM 0 HE2 TYR A 103 -2.731 -0.926 -13.203 1.00 1.72 H new ATOM 0 HH TYR A 103 -4.195 0.325 -12.077 1.00 0.72 H new ATOM 1115 N SER A 104 4.112 0.937 -10.656 1.00 0.92 N ATOM 1116 CA SER A 104 4.761 1.972 -9.836 1.00 0.96 C ATOM 1117 C SER A 104 5.954 2.630 -10.545 1.00 0.92 C ATOM 1118 O SER A 104 6.562 3.539 -9.975 1.00 1.01 O ATOM 1119 CB SER A 104 5.199 1.362 -8.500 1.00 1.01 C ATOM 1120 OG SER A 104 5.733 2.350 -7.630 1.00 2.66 O ATOM 0 H SER A 104 4.477 0.001 -10.477 1.00 0.92 H new ATOM 0 HA SER A 104 4.031 2.763 -9.663 1.00 0.96 H new ATOM 0 HB2 SER A 104 4.347 0.877 -8.023 1.00 1.01 H new ATOM 0 HB3 SER A 104 5.947 0.590 -8.679 1.00 1.01 H new ATOM 0 HG SER A 104 6.132 3.071 -8.160 1.00 2.66 H new ATOM 1126 N ASN A 105 6.311 2.162 -11.746 1.00 0.86 N ATOM 1127 CA ASN A 105 7.456 2.591 -12.557 1.00 0.87 C ATOM 1128 C ASN A 105 8.803 2.698 -11.800 1.00 0.85 C ATOM 1129 O ASN A 105 9.628 3.554 -12.126 1.00 0.96 O ATOM 1130 CB ASN A 105 7.076 3.858 -13.345 1.00 1.01 C ATOM 1131 CG ASN A 105 7.901 4.006 -14.608 1.00 1.18 C ATOM 1132 OD1 ASN A 105 7.694 3.313 -15.597 1.00 1.56 O ATOM 1133 ND2 ASN A 105 8.898 4.852 -14.604 1.00 1.25 N ATOM 0 H ASN A 105 5.774 1.427 -12.207 1.00 0.86 H new ATOM 0 HA ASN A 105 7.667 1.789 -13.265 1.00 0.87 H new ATOM 0 HB2 ASN A 105 6.018 3.821 -13.605 1.00 1.01 H new ATOM 0 HB3 ASN A 105 7.218 4.735 -12.713 1.00 1.01 H new ATOM 0 HD21 ASN A 105 9.501 4.934 -15.423 1.00 1.25 H new ATOM 0 HD22 ASN A 105 9.073 5.430 -13.782 1.00 1.25 H new ATOM 1140 N TRP A 106 9.030 1.877 -10.767 1.00 0.80 N ATOM 1141 CA TRP A 106 10.243 1.926 -9.946 1.00 0.77 C ATOM 1142 C TRP A 106 10.892 0.543 -9.795 1.00 0.74 C ATOM 1143 O TRP A 106 10.170 -0.429 -9.535 1.00 0.79 O ATOM 1144 CB TRP A 106 9.944 2.511 -8.555 1.00 0.85 C ATOM 1145 CG TRP A 106 10.639 3.806 -8.265 1.00 0.92 C ATOM 1146 CD1 TRP A 106 11.746 3.951 -7.505 1.00 1.11 C ATOM 1147 CD2 TRP A 106 10.298 5.154 -8.719 1.00 0.99 C ATOM 1148 NE1 TRP A 106 12.093 5.282 -7.428 1.00 1.21 N ATOM 1149 CE2 TRP A 106 11.224 6.075 -8.141 1.00 1.16 C ATOM 1150 CE3 TRP A 106 9.307 5.695 -9.565 1.00 1.10 C ATOM 1151 CZ2 TRP A 106 11.145 7.458 -8.356 1.00 1.36 C ATOM 1152 CZ3 TRP A 106 9.209 7.084 -9.779 1.00 1.37 C ATOM 1153 CH2 TRP A 106 10.119 7.967 -9.169 1.00 1.48 C ATOM 0 H TRP A 106 8.371 1.155 -10.476 1.00 0.80 H new ATOM 0 HA TRP A 106 10.947 2.577 -10.465 1.00 0.77 H new ATOM 0 HB2 TRP A 106 8.868 2.661 -8.461 1.00 0.85 H new ATOM 0 HB3 TRP A 106 10.231 1.781 -7.798 1.00 0.85 H new ATOM 0 HD1 TRP A 106 12.280 3.143 -7.028 1.00 1.11 H new ATOM 0 HE1 TRP A 106 12.895 5.636 -6.907 1.00 1.21 H new ATOM 0 HE3 TRP A 106 8.611 5.032 -10.058 1.00 1.10 H new ATOM 0 HZ2 TRP A 106 11.864 8.124 -7.902 1.00 1.36 H new ATOM 0 HZ3 TRP A 106 8.429 7.474 -10.416 1.00 1.37 H new ATOM 0 HH2 TRP A 106 10.029 9.032 -9.325 1.00 1.48 H new ATOM 1164 N PRO A 107 12.237 0.448 -9.823 1.00 0.77 N ATOM 1165 CA PRO A 107 12.944 -0.816 -9.624 1.00 0.81 C ATOM 1166 C PRO A 107 12.690 -1.428 -8.240 1.00 0.82 C ATOM 1167 O PRO A 107 12.460 -2.633 -8.149 1.00 0.79 O ATOM 1168 CB PRO A 107 14.429 -0.492 -9.838 1.00 0.91 C ATOM 1169 CG PRO A 107 14.532 1.007 -9.561 1.00 1.06 C ATOM 1170 CD PRO A 107 13.187 1.529 -10.059 1.00 0.84 C ATOM 0 HA PRO A 107 12.588 -1.572 -10.324 1.00 0.81 H new ATOM 0 HB2 PRO A 107 15.063 -1.066 -9.162 1.00 0.91 H new ATOM 0 HB3 PRO A 107 14.746 -0.732 -10.853 1.00 0.91 H new ATOM 0 HG2 PRO A 107 14.680 1.214 -8.501 1.00 1.06 H new ATOM 0 HG3 PRO A 107 15.366 1.462 -10.095 1.00 1.06 H new ATOM 0 HD2 PRO A 107 12.894 2.432 -9.524 1.00 0.84 H new ATOM 0 HD3 PRO A 107 13.233 1.786 -11.117 1.00 0.84 H new ATOM 1178 N THR A 108 12.671 -0.611 -7.178 1.00 0.91 N ATOM 1179 CA THR A 108 12.573 -1.082 -5.778 1.00 1.15 C ATOM 1180 C THR A 108 11.870 -0.097 -4.838 1.00 0.99 C ATOM 1181 O THR A 108 12.514 0.677 -4.131 1.00 1.50 O ATOM 1182 CB THR A 108 13.951 -1.481 -5.192 1.00 1.68 C ATOM 1183 OG1 THR A 108 15.016 -0.675 -5.660 1.00 3.54 O ATOM 1184 CG2 THR A 108 14.329 -2.916 -5.538 1.00 2.30 C ATOM 0 H THR A 108 12.723 0.404 -7.261 1.00 0.91 H new ATOM 0 HA THR A 108 11.945 -1.971 -5.836 1.00 1.15 H new ATOM 0 HB THR A 108 13.823 -1.349 -4.118 1.00 1.68 H new ATOM 0 HG1 THR A 108 15.856 -0.975 -5.254 1.00 3.54 H new ATOM 0 HG21 THR A 108 15.302 -3.150 -5.106 1.00 2.30 H new ATOM 0 HG22 THR A 108 13.580 -3.597 -5.135 1.00 2.30 H new ATOM 0 HG23 THR A 108 14.376 -3.029 -6.621 1.00 2.30 H new ATOM 1192 N ILE A 109 10.533 -0.125 -4.827 1.00 0.80 N ATOM 1193 CA ILE A 109 9.661 0.596 -3.877 1.00 0.72 C ATOM 1194 C ILE A 109 8.496 -0.326 -3.447 1.00 0.82 C ATOM 1195 O ILE A 109 8.007 -1.082 -4.291 1.00 1.31 O ATOM 1196 CB ILE A 109 9.142 1.903 -4.534 1.00 1.15 C ATOM 1197 CG1 ILE A 109 10.257 2.939 -4.796 1.00 1.88 C ATOM 1198 CG2 ILE A 109 8.024 2.601 -3.750 1.00 1.34 C ATOM 1199 CD1 ILE A 109 10.928 3.567 -3.566 1.00 3.26 C ATOM 0 H ILE A 109 10.002 -0.671 -5.505 1.00 0.80 H new ATOM 0 HA ILE A 109 10.224 0.870 -2.985 1.00 0.72 H new ATOM 0 HB ILE A 109 8.736 1.551 -5.482 1.00 1.15 H new ATOM 0 HG12 ILE A 109 11.030 2.460 -5.396 1.00 1.88 H new ATOM 0 HG13 ILE A 109 9.837 3.743 -5.400 1.00 1.88 H new ATOM 0 HG21 ILE A 109 7.719 3.505 -4.278 1.00 1.34 H new ATOM 0 HG22 ILE A 109 7.170 1.929 -3.658 1.00 1.34 H new ATOM 0 HG23 ILE A 109 8.387 2.865 -2.757 1.00 1.34 H new ATOM 0 HD11 ILE A 109 11.691 4.275 -3.890 1.00 3.26 H new ATOM 0 HD12 ILE A 109 10.179 4.088 -2.969 1.00 3.26 H new ATOM 0 HD13 ILE A 109 11.391 2.784 -2.965 1.00 3.26 H new ATOM 1211 N PRO A 110 8.014 -0.278 -2.186 1.00 0.67 N ATOM 1212 CA PRO A 110 6.713 -0.805 -1.772 1.00 0.69 C ATOM 1213 C PRO A 110 5.639 0.302 -1.691 1.00 0.47 C ATOM 1214 O PRO A 110 5.965 1.460 -1.405 1.00 0.46 O ATOM 1215 CB PRO A 110 6.992 -1.472 -0.427 1.00 0.94 C ATOM 1216 CG PRO A 110 8.214 -0.757 0.154 1.00 0.65 C ATOM 1217 CD PRO A 110 8.729 0.136 -0.990 1.00 0.74 C ATOM 0 HA PRO A 110 6.297 -1.512 -2.490 1.00 0.69 H new ATOM 0 HB2 PRO A 110 6.134 -1.381 0.239 1.00 0.94 H new ATOM 0 HB3 PRO A 110 7.187 -2.537 -0.553 1.00 0.94 H new ATOM 0 HG2 PRO A 110 7.946 -0.164 1.029 1.00 0.65 H new ATOM 0 HG3 PRO A 110 8.975 -1.470 0.473 1.00 0.65 H new ATOM 0 HD2 PRO A 110 8.547 1.189 -0.773 1.00 0.74 H new ATOM 0 HD3 PRO A 110 9.805 0.019 -1.120 1.00 0.74 H new ATOM 1225 N GLN A 111 4.366 -0.034 -1.936 1.00 0.40 N ATOM 1226 CA GLN A 111 3.270 0.922 -2.163 1.00 0.40 C ATOM 1227 C GLN A 111 2.027 0.629 -1.309 1.00 0.32 C ATOM 1228 O GLN A 111 1.840 -0.485 -0.808 1.00 0.33 O ATOM 1229 CB GLN A 111 2.837 0.919 -3.649 1.00 0.69 C ATOM 1230 CG GLN A 111 3.927 1.191 -4.697 1.00 0.73 C ATOM 1231 CD GLN A 111 4.848 0.007 -4.976 1.00 1.26 C ATOM 1232 OE1 GLN A 111 4.646 -1.125 -4.571 1.00 2.59 O ATOM 1233 NE2 GLN A 111 5.938 0.241 -5.659 1.00 1.47 N ATOM 0 H GLN A 111 4.059 -1.006 -1.984 1.00 0.40 H new ATOM 0 HA GLN A 111 3.668 1.895 -1.874 1.00 0.40 H new ATOM 0 HB2 GLN A 111 2.391 -0.051 -3.869 1.00 0.69 H new ATOM 0 HB3 GLN A 111 2.053 1.666 -3.774 1.00 0.69 H new ATOM 0 HG2 GLN A 111 3.449 1.491 -5.630 1.00 0.73 H new ATOM 0 HG3 GLN A 111 4.532 2.034 -4.363 1.00 0.73 H new ATOM 0 HE21 GLN A 111 6.129 1.180 -6.008 1.00 1.47 H new ATOM 0 HE22 GLN A 111 6.597 -0.515 -5.842 1.00 1.47 H new ATOM 1242 N VAL A 112 1.114 1.605 -1.231 1.00 0.36 N ATOM 1243 CA VAL A 112 -0.292 1.353 -0.923 1.00 0.36 C ATOM 1244 C VAL A 112 -1.184 2.126 -1.891 1.00 0.45 C ATOM 1245 O VAL A 112 -0.883 3.260 -2.278 1.00 0.65 O ATOM 1246 CB VAL A 112 -0.600 1.616 0.563 1.00 0.35 C ATOM 1247 CG1 VAL A 112 -0.570 3.089 0.966 1.00 0.39 C ATOM 1248 CG2 VAL A 112 -1.947 1.016 0.989 1.00 0.34 C ATOM 0 H VAL A 112 1.333 2.590 -1.380 1.00 0.36 H new ATOM 0 HA VAL A 112 -0.513 0.296 -1.072 1.00 0.36 H new ATOM 0 HB VAL A 112 0.215 1.117 1.087 1.00 0.35 H new ATOM 0 HG11 VAL A 112 -0.798 3.180 2.028 1.00 0.39 H new ATOM 0 HG12 VAL A 112 0.421 3.499 0.771 1.00 0.39 H new ATOM 0 HG13 VAL A 112 -1.311 3.640 0.387 1.00 0.39 H new ATOM 0 HG21 VAL A 112 -2.122 1.226 2.044 1.00 0.34 H new ATOM 0 HG22 VAL A 112 -2.746 1.457 0.394 1.00 0.34 H new ATOM 0 HG23 VAL A 112 -1.931 -0.063 0.832 1.00 0.34 H new ATOM 1258 N TYR A 113 -2.279 1.485 -2.281 1.00 0.42 N ATOM 1259 CA TYR A 113 -3.340 2.046 -3.114 1.00 0.41 C ATOM 1260 C TYR A 113 -4.637 2.018 -2.309 1.00 0.36 C ATOM 1261 O TYR A 113 -4.974 0.992 -1.708 1.00 0.36 O ATOM 1262 CB TYR A 113 -3.477 1.249 -4.423 1.00 0.42 C ATOM 1263 CG TYR A 113 -2.206 1.187 -5.250 1.00 0.45 C ATOM 1264 CD1 TYR A 113 -1.211 0.249 -4.920 1.00 1.42 C ATOM 1265 CD2 TYR A 113 -2.014 2.052 -6.343 1.00 1.53 C ATOM 1266 CE1 TYR A 113 -0.014 0.190 -5.656 1.00 1.51 C ATOM 1267 CE2 TYR A 113 -0.809 2.009 -7.071 1.00 1.56 C ATOM 1268 CZ TYR A 113 0.201 1.086 -6.721 1.00 0.74 C ATOM 1269 OH TYR A 113 1.381 1.070 -7.393 1.00 0.96 O ATOM 0 H TYR A 113 -2.461 0.517 -2.015 1.00 0.42 H new ATOM 0 HA TYR A 113 -3.103 3.074 -3.389 1.00 0.41 H new ATOM 0 HB2 TYR A 113 -3.792 0.233 -4.185 1.00 0.42 H new ATOM 0 HB3 TYR A 113 -4.268 1.695 -5.026 1.00 0.42 H new ATOM 0 HD1 TYR A 113 -1.367 -0.431 -4.095 1.00 1.42 H new ATOM 0 HD2 TYR A 113 -2.790 2.749 -6.624 1.00 1.53 H new ATOM 0 HE1 TYR A 113 0.740 -0.542 -5.405 1.00 1.51 H new ATOM 0 HE2 TYR A 113 -0.657 2.684 -7.900 1.00 1.56 H new ATOM 0 HH TYR A 113 1.365 1.750 -8.098 1.00 0.96 H new ATOM 1279 N LEU A 114 -5.364 3.137 -2.283 1.00 0.36 N ATOM 1280 CA LEU A 114 -6.663 3.231 -1.615 1.00 0.33 C ATOM 1281 C LEU A 114 -7.762 3.398 -2.653 1.00 0.36 C ATOM 1282 O LEU A 114 -7.653 4.244 -3.544 1.00 0.40 O ATOM 1283 CB LEU A 114 -6.700 4.333 -0.540 1.00 0.37 C ATOM 1284 CG LEU A 114 -6.460 3.797 0.883 1.00 0.35 C ATOM 1285 CD1 LEU A 114 -5.040 3.298 1.064 1.00 0.35 C ATOM 1286 CD2 LEU A 114 -6.769 4.885 1.909 1.00 0.48 C ATOM 0 H LEU A 114 -5.067 4.006 -2.726 1.00 0.36 H new ATOM 0 HA LEU A 114 -6.835 2.300 -1.076 1.00 0.33 H new ATOM 0 HB2 LEU A 114 -5.944 5.083 -0.771 1.00 0.37 H new ATOM 0 HB3 LEU A 114 -7.668 4.834 -0.575 1.00 0.37 H new ATOM 0 HG LEU A 114 -7.129 2.951 1.037 1.00 0.35 H new ATOM 0 HD11 LEU A 114 -4.911 2.928 2.081 1.00 0.35 H new ATOM 0 HD12 LEU A 114 -4.845 2.491 0.357 1.00 0.35 H new ATOM 0 HD13 LEU A 114 -4.341 4.115 0.884 1.00 0.35 H new ATOM 0 HD21 LEU A 114 -6.597 4.498 2.913 1.00 0.48 H new ATOM 0 HD22 LEU A 114 -6.121 5.744 1.735 1.00 0.48 H new ATOM 0 HD23 LEU A 114 -7.811 5.191 1.812 1.00 0.48 H new ATOM 1298 N ASN A 115 -8.815 2.588 -2.529 1.00 0.37 N ATOM 1299 CA ASN A 115 -9.932 2.563 -3.490 1.00 0.42 C ATOM 1300 C ASN A 115 -9.487 2.236 -4.941 1.00 0.39 C ATOM 1301 O ASN A 115 -10.104 2.670 -5.915 1.00 0.42 O ATOM 1302 CB ASN A 115 -10.714 3.880 -3.358 1.00 0.49 C ATOM 1303 CG ASN A 115 -12.201 3.755 -3.621 1.00 0.64 C ATOM 1304 OD1 ASN A 115 -12.713 2.782 -4.159 1.00 0.77 O ATOM 1305 ND2 ASN A 115 -12.953 4.732 -3.192 1.00 0.72 N ATOM 0 H ASN A 115 -8.922 1.927 -1.759 1.00 0.37 H new ATOM 0 HA ASN A 115 -10.600 1.737 -3.245 1.00 0.42 H new ATOM 0 HB2 ASN A 115 -10.567 4.276 -2.353 1.00 0.49 H new ATOM 0 HB3 ASN A 115 -10.295 4.608 -4.052 1.00 0.49 H new ATOM 0 HD21 ASN A 115 -13.966 4.684 -3.305 1.00 0.72 H new ATOM 0 HD22 ASN A 115 -12.528 5.544 -2.743 1.00 0.72 H new ATOM 1312 N GLY A 116 -8.364 1.526 -5.096 1.00 0.42 N ATOM 1313 CA GLY A 116 -7.662 1.292 -6.362 1.00 0.43 C ATOM 1314 C GLY A 116 -6.888 2.465 -6.976 1.00 0.45 C ATOM 1315 O GLY A 116 -6.504 2.375 -8.144 1.00 0.60 O ATOM 0 H GLY A 116 -7.899 1.079 -4.306 1.00 0.42 H new ATOM 0 HA2 GLY A 116 -6.961 0.471 -6.210 1.00 0.43 H new ATOM 0 HA3 GLY A 116 -8.395 0.954 -7.094 1.00 0.43 H new ATOM 1319 N GLU A 117 -6.671 3.565 -6.253 1.00 0.44 N ATOM 1320 CA GLU A 117 -5.929 4.738 -6.731 1.00 0.49 C ATOM 1321 C GLU A 117 -4.611 4.932 -5.979 1.00 0.45 C ATOM 1322 O GLU A 117 -4.478 4.590 -4.803 1.00 0.39 O ATOM 1323 CB GLU A 117 -6.838 5.968 -6.714 1.00 0.57 C ATOM 1324 CG GLU A 117 -6.191 7.230 -7.263 1.00 0.72 C ATOM 1325 CD GLU A 117 -7.176 8.379 -7.535 1.00 0.92 C ATOM 1326 OE1 GLU A 117 -8.382 8.292 -7.193 1.00 1.82 O ATOM 1327 OE2 GLU A 117 -6.760 9.389 -8.152 1.00 1.75 O ATOM 0 H GLU A 117 -7.013 3.670 -5.298 1.00 0.44 H new ATOM 0 HA GLU A 117 -5.631 4.573 -7.766 1.00 0.49 H new ATOM 0 HB2 GLU A 117 -7.735 5.751 -7.295 1.00 0.57 H new ATOM 0 HB3 GLU A 117 -7.159 6.154 -5.689 1.00 0.57 H new ATOM 0 HG2 GLU A 117 -5.436 7.574 -6.556 1.00 0.72 H new ATOM 0 HG3 GLU A 117 -5.672 6.985 -8.190 1.00 0.72 H new ATOM 1334 N PHE A 118 -3.621 5.457 -6.698 1.00 0.52 N ATOM 1335 CA PHE A 118 -2.258 5.651 -6.230 1.00 0.50 C ATOM 1336 C PHE A 118 -2.096 6.918 -5.397 1.00 0.50 C ATOM 1337 O PHE A 118 -2.689 7.982 -5.615 1.00 0.61 O ATOM 1338 CB PHE A 118 -1.317 5.617 -7.438 1.00 0.57 C ATOM 1339 CG PHE A 118 0.181 5.549 -7.194 1.00 0.63 C ATOM 1340 CD1 PHE A 118 0.747 4.882 -6.086 1.00 1.89 C ATOM 1341 CD2 PHE A 118 1.028 6.092 -8.177 1.00 2.04 C ATOM 1342 CE1 PHE A 118 2.143 4.734 -5.990 1.00 1.95 C ATOM 1343 CE2 PHE A 118 2.423 5.954 -8.078 1.00 2.11 C ATOM 1344 CZ PHE A 118 2.981 5.264 -6.987 1.00 0.95 C ATOM 0 H PHE A 118 -3.756 5.770 -7.659 1.00 0.52 H new ATOM 0 HA PHE A 118 -1.997 4.839 -5.551 1.00 0.50 H new ATOM 0 HB2 PHE A 118 -1.592 4.756 -8.047 1.00 0.57 H new ATOM 0 HB3 PHE A 118 -1.514 6.507 -8.036 1.00 0.57 H new ATOM 0 HD1 PHE A 118 0.108 4.485 -5.311 1.00 1.89 H new ATOM 0 HD2 PHE A 118 0.602 6.621 -9.017 1.00 2.04 H new ATOM 0 HE1 PHE A 118 2.572 4.212 -5.148 1.00 1.95 H new ATOM 0 HE2 PHE A 118 3.064 6.376 -8.837 1.00 2.11 H new ATOM 0 HZ PHE A 118 4.052 5.141 -6.915 1.00 0.95 H new ATOM 1354 N VAL A 119 -1.327 6.686 -4.347 1.00 0.42 N ATOM 1355 CA VAL A 119 -1.604 7.142 -2.993 1.00 0.38 C ATOM 1356 C VAL A 119 -0.280 7.189 -2.251 1.00 0.53 C ATOM 1357 O VAL A 119 0.065 8.237 -1.714 1.00 0.74 O ATOM 1358 CB VAL A 119 -2.639 6.156 -2.420 1.00 0.52 C ATOM 1359 CG1 VAL A 119 -2.537 5.753 -0.968 1.00 0.81 C ATOM 1360 CG2 VAL A 119 -4.019 6.780 -2.624 1.00 1.52 C ATOM 0 H VAL A 119 -0.459 6.155 -4.415 1.00 0.42 H new ATOM 0 HA VAL A 119 -2.028 8.143 -2.917 1.00 0.38 H new ATOM 0 HB VAL A 119 -2.445 5.229 -2.960 1.00 0.52 H new ATOM 0 HG11 VAL A 119 -3.339 5.056 -0.727 1.00 0.81 H new ATOM 0 HG12 VAL A 119 -1.574 5.274 -0.790 1.00 0.81 H new ATOM 0 HG13 VAL A 119 -2.624 6.638 -0.338 1.00 0.81 H new ATOM 0 HG21 VAL A 119 -4.783 6.110 -2.230 1.00 1.52 H new ATOM 0 HG22 VAL A 119 -4.068 7.734 -2.100 1.00 1.52 H new ATOM 0 HG23 VAL A 119 -4.192 6.941 -3.688 1.00 1.52 H new ATOM 1370 N GLY A 120 0.550 6.156 -2.426 1.00 0.48 N ATOM 1371 CA GLY A 120 1.968 6.400 -2.660 1.00 0.55 C ATOM 1372 C GLY A 120 2.892 5.212 -2.413 1.00 0.38 C ATOM 1373 O GLY A 120 2.489 4.190 -1.853 1.00 0.37 O ATOM 0 H GLY A 120 0.273 5.175 -2.410 1.00 0.48 H new ATOM 0 HA2 GLY A 120 2.096 6.728 -3.691 1.00 0.55 H new ATOM 0 HA3 GLY A 120 2.287 7.224 -2.021 1.00 0.55 H new ATOM 1377 N GLY A 121 4.146 5.361 -2.842 1.00 0.46 N ATOM 1378 CA GLY A 121 5.265 4.548 -2.373 1.00 0.41 C ATOM 1379 C GLY A 121 5.784 5.003 -1.002 1.00 0.43 C ATOM 1380 O GLY A 121 5.332 6.007 -0.441 1.00 0.43 O ATOM 0 H GLY A 121 4.415 6.060 -3.535 1.00 0.46 H new ATOM 0 HA2 GLY A 121 4.953 3.505 -2.313 1.00 0.41 H new ATOM 0 HA3 GLY A 121 6.076 4.597 -3.100 1.00 0.41 H new ATOM 1384 N CYS A 122 6.746 4.266 -0.439 1.00 0.55 N ATOM 1385 CA CYS A 122 7.185 4.488 0.944 1.00 0.61 C ATOM 1386 C CYS A 122 7.932 5.804 1.221 1.00 0.69 C ATOM 1387 O CYS A 122 7.992 6.231 2.377 1.00 0.83 O ATOM 1388 CB CYS A 122 7.964 3.273 1.457 1.00 0.57 C ATOM 1389 SG CYS A 122 7.779 3.286 3.264 1.00 0.70 S ATOM 0 H CYS A 122 7.236 3.511 -0.918 1.00 0.55 H new ATOM 0 HA CYS A 122 6.262 4.606 1.511 1.00 0.61 H new ATOM 0 HB2 CYS A 122 7.571 2.350 1.031 1.00 0.57 H new ATOM 0 HB3 CYS A 122 9.014 3.334 1.172 1.00 0.57 H new ATOM 0 HG CYS A 122 7.724 4.514 3.686 1.00 0.70 H new ATOM 1395 N ASP A 123 8.481 6.471 0.204 1.00 0.73 N ATOM 1396 CA ASP A 123 9.022 7.831 0.403 1.00 0.79 C ATOM 1397 C ASP A 123 7.889 8.843 0.625 1.00 0.59 C ATOM 1398 O ASP A 123 7.961 9.695 1.510 1.00 0.62 O ATOM 1399 CB ASP A 123 9.909 8.264 -0.774 1.00 1.05 C ATOM 1400 CG ASP A 123 10.612 9.593 -0.467 1.00 1.49 C ATOM 1401 OD1 ASP A 123 11.300 9.667 0.577 1.00 1.72 O ATOM 1402 OD2 ASP A 123 10.486 10.555 -1.265 1.00 2.84 O ATOM 0 H ASP A 123 8.565 6.109 -0.746 1.00 0.73 H new ATOM 0 HA ASP A 123 9.645 7.807 1.297 1.00 0.79 H new ATOM 0 HB2 ASP A 123 10.652 7.493 -0.978 1.00 1.05 H new ATOM 0 HB3 ASP A 123 9.302 8.368 -1.674 1.00 1.05 H new ATOM 1407 N ILE A 124 6.809 8.689 -0.142 1.00 0.54 N ATOM 1408 CA ILE A 124 5.652 9.587 -0.155 1.00 0.48 C ATOM 1409 C ILE A 124 4.749 9.353 1.059 1.00 0.41 C ATOM 1410 O ILE A 124 4.302 10.318 1.683 1.00 0.41 O ATOM 1411 CB ILE A 124 4.941 9.485 -1.513 1.00 0.57 C ATOM 1412 CG1 ILE A 124 5.974 9.993 -2.551 1.00 0.77 C ATOM 1413 CG2 ILE A 124 3.629 10.288 -1.487 1.00 0.52 C ATOM 1414 CD1 ILE A 124 5.384 10.398 -3.885 1.00 1.79 C ATOM 0 H ILE A 124 6.712 7.910 -0.793 1.00 0.54 H new ATOM 0 HA ILE A 124 5.979 10.622 -0.053 1.00 0.48 H new ATOM 0 HB ILE A 124 4.635 8.471 -1.769 1.00 0.57 H new ATOM 0 HG12 ILE A 124 6.503 10.847 -2.129 1.00 0.77 H new ATOM 0 HG13 ILE A 124 6.714 9.211 -2.719 1.00 0.77 H new ATOM 0 HG21 ILE A 124 3.134 10.208 -2.455 1.00 0.52 H new ATOM 0 HG22 ILE A 124 2.975 9.891 -0.711 1.00 0.52 H new ATOM 0 HG23 ILE A 124 3.847 11.335 -1.277 1.00 0.52 H new ATOM 0 HD11 ILE A 124 6.180 10.740 -4.546 1.00 1.79 H new ATOM 0 HD12 ILE A 124 4.881 9.542 -4.335 1.00 1.79 H new ATOM 0 HD13 ILE A 124 4.666 11.204 -3.735 1.00 1.79 H new ATOM 1426 N LEU A 125 4.550 8.097 1.481 1.00 0.36 N ATOM 1427 CA LEU A 125 3.765 7.790 2.683 1.00 0.33 C ATOM 1428 C LEU A 125 4.349 8.452 3.945 1.00 0.36 C ATOM 1429 O LEU A 125 3.597 8.875 4.823 1.00 0.36 O ATOM 1430 CB LEU A 125 3.646 6.262 2.871 1.00 0.30 C ATOM 1431 CG LEU A 125 2.311 5.870 3.530 1.00 0.40 C ATOM 1432 CD1 LEU A 125 1.157 5.965 2.529 1.00 0.55 C ATOM 1433 CD2 LEU A 125 2.338 4.433 4.047 1.00 0.44 C ATOM 0 H LEU A 125 4.923 7.275 1.006 1.00 0.36 H new ATOM 0 HA LEU A 125 2.769 8.207 2.537 1.00 0.33 H new ATOM 0 HB2 LEU A 125 3.732 5.769 1.903 1.00 0.30 H new ATOM 0 HB3 LEU A 125 4.473 5.906 3.485 1.00 0.30 H new ATOM 0 HG LEU A 125 2.165 6.564 4.357 1.00 0.40 H new ATOM 0 HD11 LEU A 125 0.226 5.683 3.020 1.00 0.55 H new ATOM 0 HD12 LEU A 125 1.078 6.988 2.161 1.00 0.55 H new ATOM 0 HD13 LEU A 125 1.345 5.292 1.692 1.00 0.55 H new ATOM 0 HD21 LEU A 125 1.379 4.193 4.505 1.00 0.44 H new ATOM 0 HD22 LEU A 125 2.524 3.751 3.217 1.00 0.44 H new ATOM 0 HD23 LEU A 125 3.130 4.328 4.788 1.00 0.44 H new ATOM 1445 N LEU A 126 5.676 8.610 3.999 1.00 0.42 N ATOM 1446 CA LEU A 126 6.398 9.245 5.110 1.00 0.48 C ATOM 1447 C LEU A 126 6.193 10.767 5.155 1.00 0.51 C ATOM 1448 O LEU A 126 6.389 11.401 6.189 1.00 0.71 O ATOM 1449 CB LEU A 126 7.897 8.878 5.006 1.00 0.54 C ATOM 1450 CG LEU A 126 8.593 8.416 6.302 1.00 0.59 C ATOM 1451 CD1 LEU A 126 8.518 9.444 7.427 1.00 0.60 C ATOM 1452 CD2 LEU A 126 8.010 7.100 6.819 1.00 0.68 C ATOM 0 H LEU A 126 6.295 8.292 3.253 1.00 0.42 H new ATOM 0 HA LEU A 126 5.991 8.866 6.048 1.00 0.48 H new ATOM 0 HB2 LEU A 126 8.002 8.087 4.264 1.00 0.54 H new ATOM 0 HB3 LEU A 126 8.433 9.747 4.624 1.00 0.54 H new ATOM 0 HG LEU A 126 9.638 8.282 6.024 1.00 0.59 H new ATOM 0 HD11 LEU A 126 9.027 9.056 8.309 1.00 0.60 H new ATOM 0 HD12 LEU A 126 8.999 10.368 7.108 1.00 0.60 H new ATOM 0 HD13 LEU A 126 7.474 9.643 7.669 1.00 0.60 H new ATOM 0 HD21 LEU A 126 8.526 6.808 7.733 1.00 0.68 H new ATOM 0 HD22 LEU A 126 6.948 7.230 7.028 1.00 0.68 H new ATOM 0 HD23 LEU A 126 8.139 6.324 6.065 1.00 0.68 H new ATOM 1464 N GLN A 127 5.757 11.371 4.052 1.00 0.44 N ATOM 1465 CA GLN A 127 5.284 12.748 4.015 1.00 0.46 C ATOM 1466 C GLN A 127 3.797 12.801 4.392 1.00 0.42 C ATOM 1467 O GLN A 127 3.401 13.468 5.348 1.00 0.46 O ATOM 1468 CB GLN A 127 5.507 13.307 2.607 1.00 0.51 C ATOM 1469 CG GLN A 127 6.837 12.912 1.942 1.00 0.58 C ATOM 1470 CD GLN A 127 8.078 13.055 2.826 1.00 0.64 C ATOM 1471 OE1 GLN A 127 8.339 14.075 3.453 1.00 0.73 O ATOM 1472 NE2 GLN A 127 8.881 12.019 2.932 1.00 0.68 N ATOM 0 H GLN A 127 5.723 10.907 3.144 1.00 0.44 H new ATOM 0 HA GLN A 127 5.836 13.353 4.734 1.00 0.46 H new ATOM 0 HB2 GLN A 127 4.689 12.974 1.969 1.00 0.51 H new ATOM 0 HB3 GLN A 127 5.453 14.395 2.654 1.00 0.51 H new ATOM 0 HG2 GLN A 127 6.765 11.876 1.610 1.00 0.58 H new ATOM 0 HG3 GLN A 127 6.974 13.523 1.050 1.00 0.58 H new ATOM 0 HE21 GLN A 127 8.679 11.162 2.417 1.00 0.68 H new ATOM 0 HE22 GLN A 127 9.706 12.072 3.529 1.00 0.68 H new ATOM 1481 N MET A 128 2.970 12.028 3.681 1.00 0.39 N ATOM 1482 CA MET A 128 1.517 12.102 3.752 1.00 0.38 C ATOM 1483 C MET A 128 0.931 11.689 5.102 1.00 0.37 C ATOM 1484 O MET A 128 -0.095 12.227 5.522 1.00 0.40 O ATOM 1485 CB MET A 128 0.946 11.238 2.639 1.00 0.37 C ATOM 1486 CG MET A 128 1.248 11.828 1.260 1.00 0.41 C ATOM 1487 SD MET A 128 0.377 11.001 -0.083 1.00 0.49 S ATOM 1488 CE MET A 128 -1.288 11.543 0.334 1.00 0.45 C ATOM 0 H MET A 128 3.305 11.320 3.028 1.00 0.39 H new ATOM 0 HA MET A 128 1.236 13.148 3.632 1.00 0.38 H new ATOM 0 HB2 MET A 128 1.364 10.234 2.706 1.00 0.37 H new ATOM 0 HB3 MET A 128 -0.132 11.143 2.767 1.00 0.37 H new ATOM 0 HG2 MET A 128 0.981 12.885 1.259 1.00 0.41 H new ATOM 0 HG3 MET A 128 2.321 11.771 1.076 1.00 0.41 H new ATOM 0 HE1 MET A 128 -1.933 10.673 0.458 1.00 0.45 H new ATOM 0 HE2 MET A 128 -1.263 12.112 1.263 1.00 0.45 H new ATOM 0 HE3 MET A 128 -1.677 12.172 -0.467 1.00 0.45 H new ATOM 1498 N HIS A 129 1.594 10.770 5.806 1.00 0.36 N ATOM 1499 CA HIS A 129 1.262 10.429 7.207 1.00 0.36 C ATOM 1500 C HIS A 129 1.292 11.663 8.097 1.00 0.42 C ATOM 1501 O HIS A 129 0.421 11.903 8.933 1.00 0.43 O ATOM 1502 CB HIS A 129 2.302 9.464 7.776 1.00 0.40 C ATOM 1503 CG HIS A 129 2.002 8.934 9.159 1.00 0.39 C ATOM 1504 ND1 HIS A 129 0.822 8.424 9.661 1.00 0.34 N ATOM 1505 CD2 HIS A 129 2.904 8.901 10.179 1.00 0.47 C ATOM 1506 CE1 HIS A 129 1.041 8.049 10.933 1.00 0.40 C ATOM 1507 NE2 HIS A 129 2.305 8.322 11.302 1.00 0.48 N ATOM 0 H HIS A 129 2.377 10.236 5.429 1.00 0.36 H new ATOM 0 HA HIS A 129 0.266 9.987 7.196 1.00 0.36 H new ATOM 0 HB2 HIS A 129 2.401 8.619 7.095 1.00 0.40 H new ATOM 0 HB3 HIS A 129 3.268 9.969 7.800 1.00 0.40 H new ATOM 0 HD2 HIS A 129 3.920 9.264 10.128 1.00 0.47 H new ATOM 0 HE1 HIS A 129 0.301 7.590 11.573 1.00 0.40 H new ATOM 0 HE2 HIS A 129 2.736 8.144 12.209 1.00 0.48 H new ATOM 1515 N GLN A 130 2.384 12.395 7.922 1.00 0.49 N ATOM 1516 CA GLN A 130 2.931 13.327 8.885 1.00 0.58 C ATOM 1517 C GLN A 130 2.409 14.753 8.628 1.00 0.61 C ATOM 1518 O GLN A 130 2.335 15.567 9.549 1.00 0.76 O ATOM 1519 CB GLN A 130 4.452 13.129 8.875 1.00 0.66 C ATOM 1520 CG GLN A 130 4.826 11.668 9.108 1.00 0.64 C ATOM 1521 CD GLN A 130 6.057 11.440 9.973 1.00 0.74 C ATOM 1522 OE1 GLN A 130 5.959 10.938 11.083 1.00 1.00 O ATOM 1523 NE2 GLN A 130 7.246 11.750 9.515 1.00 0.75 N ATOM 0 H GLN A 130 2.934 12.349 7.064 1.00 0.49 H new ATOM 0 HA GLN A 130 2.597 13.141 9.906 1.00 0.58 H new ATOM 0 HB2 GLN A 130 4.857 13.462 7.919 1.00 0.66 H new ATOM 0 HB3 GLN A 130 4.906 13.750 9.647 1.00 0.66 H new ATOM 0 HG2 GLN A 130 3.978 11.163 9.571 1.00 0.64 H new ATOM 0 HG3 GLN A 130 4.990 11.194 8.140 1.00 0.64 H new ATOM 0 HE21 GLN A 130 7.343 12.170 8.590 1.00 0.75 H new ATOM 0 HE22 GLN A 130 8.074 11.572 10.083 1.00 0.75 H new ATOM 1532 N ASN A 131 1.941 15.004 7.397 1.00 0.52 N ATOM 1533 CA ASN A 131 1.079 16.118 6.996 1.00 0.54 C ATOM 1534 C ASN A 131 -0.436 15.806 7.156 1.00 0.56 C ATOM 1535 O ASN A 131 -1.218 16.727 7.403 1.00 0.68 O ATOM 1536 CB ASN A 131 1.528 16.583 5.592 1.00 0.57 C ATOM 1537 CG ASN A 131 0.503 16.316 4.522 1.00 1.14 C ATOM 1538 OD1 ASN A 131 0.480 15.278 3.886 1.00 3.00 O ATOM 1539 ND2 ASN A 131 -0.418 17.217 4.348 1.00 1.04 N ATOM 0 H ASN A 131 2.169 14.397 6.610 1.00 0.52 H new ATOM 0 HA ASN A 131 1.201 16.962 7.675 1.00 0.54 H new ATOM 0 HB2 ASN A 131 1.743 17.651 5.622 1.00 0.57 H new ATOM 0 HB3 ASN A 131 2.458 16.078 5.329 1.00 0.57 H new ATOM 0 HD21 ASN A 131 -1.167 17.057 3.675 1.00 1.04 H new ATOM 0 HD22 ASN A 131 -0.391 18.084 4.885 1.00 1.04 H new ATOM 1546 N GLY A 132 -0.863 14.537 7.070 1.00 0.49 N ATOM 1547 CA GLY A 132 -2.232 14.090 7.389 1.00 0.48 C ATOM 1548 C GLY A 132 -3.147 13.931 6.171 1.00 0.46 C ATOM 1549 O GLY A 132 -4.351 13.732 6.323 1.00 0.51 O ATOM 0 H GLY A 132 -0.255 13.775 6.771 1.00 0.49 H new ATOM 0 HA2 GLY A 132 -2.176 13.136 7.913 1.00 0.48 H new ATOM 0 HA3 GLY A 132 -2.684 14.805 8.076 1.00 0.48 H new ATOM 1553 N ASP A 133 -2.600 13.938 4.955 1.00 0.45 N ATOM 1554 CA ASP A 133 -3.368 13.712 3.726 1.00 0.48 C ATOM 1555 C ASP A 133 -3.858 12.253 3.593 1.00 0.45 C ATOM 1556 O ASP A 133 -4.735 11.975 2.771 1.00 0.54 O ATOM 1557 CB ASP A 133 -2.519 14.118 2.511 1.00 0.59 C ATOM 1558 CG ASP A 133 -2.582 15.609 2.157 1.00 0.70 C ATOM 1559 OD1 ASP A 133 -2.747 16.476 3.048 1.00 1.86 O ATOM 1560 OD2 ASP A 133 -2.457 15.922 0.948 1.00 1.64 O ATOM 0 H ASP A 133 -1.606 14.101 4.792 1.00 0.45 H new ATOM 0 HA ASP A 133 -4.263 14.333 3.772 1.00 0.48 H new ATOM 0 HB2 ASP A 133 -1.481 13.847 2.703 1.00 0.59 H new ATOM 0 HB3 ASP A 133 -2.845 13.539 1.647 1.00 0.59 H new ATOM 1565 N LEU A 134 -3.356 11.314 4.417 1.00 0.36 N ATOM 1566 CA LEU A 134 -3.818 9.917 4.382 1.00 0.32 C ATOM 1567 C LEU A 134 -5.191 9.771 5.039 1.00 0.36 C ATOM 1568 O LEU A 134 -5.955 8.850 4.772 1.00 0.40 O ATOM 1569 CB LEU A 134 -2.833 8.986 5.116 1.00 0.29 C ATOM 1570 CG LEU A 134 -1.406 8.954 4.559 1.00 0.30 C ATOM 1571 CD1 LEU A 134 -0.565 7.926 5.311 1.00 0.31 C ATOM 1572 CD2 LEU A 134 -1.360 8.625 3.072 1.00 0.32 C ATOM 0 H LEU A 134 -2.633 11.498 5.112 1.00 0.36 H new ATOM 0 HA LEU A 134 -3.880 9.635 3.331 1.00 0.32 H new ATOM 0 HB2 LEU A 134 -2.788 9.288 6.162 1.00 0.29 H new ATOM 0 HB3 LEU A 134 -3.235 7.973 5.094 1.00 0.29 H new ATOM 0 HG LEU A 134 -1.002 9.957 4.697 1.00 0.30 H new ATOM 0 HD11 LEU A 134 0.446 7.915 4.904 1.00 0.31 H new ATOM 0 HD12 LEU A 134 -0.528 8.190 6.368 1.00 0.31 H new ATOM 0 HD13 LEU A 134 -1.012 6.938 5.199 1.00 0.31 H new ATOM 0 HD21 LEU A 134 -0.324 8.616 2.733 1.00 0.32 H new ATOM 0 HD22 LEU A 134 -1.805 7.645 2.902 1.00 0.32 H new ATOM 0 HD23 LEU A 134 -1.918 9.378 2.515 1.00 0.32 H new ATOM 1584 N VAL A 135 -5.484 10.704 5.934 1.00 0.38 N ATOM 1585 CA VAL A 135 -6.622 10.717 6.845 1.00 0.41 C ATOM 1586 C VAL A 135 -7.877 11.140 6.097 1.00 0.48 C ATOM 1587 O VAL A 135 -8.952 10.582 6.303 1.00 0.54 O ATOM 1588 CB VAL A 135 -6.281 11.703 7.968 1.00 0.39 C ATOM 1589 CG1 VAL A 135 -7.206 11.595 9.153 1.00 0.38 C ATOM 1590 CG2 VAL A 135 -4.930 11.326 8.563 1.00 0.41 C ATOM 0 H VAL A 135 -4.894 11.528 6.051 1.00 0.38 H new ATOM 0 HA VAL A 135 -6.815 9.728 7.261 1.00 0.41 H new ATOM 0 HB VAL A 135 -6.333 12.692 7.512 1.00 0.39 H new ATOM 0 HG11 VAL A 135 -6.911 12.319 9.912 1.00 0.38 H new ATOM 0 HG12 VAL A 135 -8.229 11.798 8.836 1.00 0.38 H new ATOM 0 HG13 VAL A 135 -7.148 10.589 9.569 1.00 0.38 H new ATOM 0 HG21 VAL A 135 -4.678 12.022 9.363 1.00 0.41 H new ATOM 0 HG22 VAL A 135 -4.979 10.314 8.964 1.00 0.41 H new ATOM 0 HG23 VAL A 135 -4.165 11.372 7.788 1.00 0.41 H new ATOM 1600 N GLU A 136 -7.704 12.068 5.156 1.00 0.50 N ATOM 1601 CA GLU A 136 -8.719 12.496 4.196 1.00 0.57 C ATOM 1602 C GLU A 136 -8.944 11.428 3.129 1.00 0.52 C ATOM 1603 O GLU A 136 -10.086 11.187 2.752 1.00 0.62 O ATOM 1604 CB GLU A 136 -8.295 13.824 3.551 1.00 0.68 C ATOM 1605 CG GLU A 136 -7.888 14.878 4.589 1.00 1.18 C ATOM 1606 CD GLU A 136 -8.964 15.086 5.666 1.00 1.76 C ATOM 1607 OE1 GLU A 136 -10.165 15.150 5.317 1.00 2.32 O ATOM 1608 OE2 GLU A 136 -8.620 15.157 6.870 1.00 2.82 O ATOM 0 H GLU A 136 -6.819 12.561 5.038 1.00 0.50 H new ATOM 0 HA GLU A 136 -9.661 12.643 4.725 1.00 0.57 H new ATOM 0 HB2 GLU A 136 -7.460 13.645 2.873 1.00 0.68 H new ATOM 0 HB3 GLU A 136 -9.117 14.210 2.949 1.00 0.68 H new ATOM 0 HG2 GLU A 136 -6.956 14.574 5.065 1.00 1.18 H new ATOM 0 HG3 GLU A 136 -7.695 15.825 4.085 1.00 1.18 H new ATOM 1615 N GLU A 137 -7.878 10.736 2.713 1.00 0.47 N ATOM 1616 CA GLU A 137 -7.965 9.564 1.828 1.00 0.50 C ATOM 1617 C GLU A 137 -8.792 8.438 2.466 1.00 0.48 C ATOM 1618 O GLU A 137 -9.696 7.902 1.831 1.00 0.53 O ATOM 1619 CB GLU A 137 -6.558 9.062 1.447 1.00 0.55 C ATOM 1620 CG GLU A 137 -6.529 8.293 0.112 1.00 0.94 C ATOM 1621 CD GLU A 137 -6.761 9.189 -1.115 1.00 0.79 C ATOM 1622 OE1 GLU A 137 -6.382 10.385 -1.081 1.00 1.37 O ATOM 1623 OE2 GLU A 137 -7.331 8.727 -2.129 1.00 1.74 O ATOM 0 H GLU A 137 -6.923 10.973 2.981 1.00 0.47 H new ATOM 0 HA GLU A 137 -8.478 9.874 0.917 1.00 0.50 H new ATOM 0 HB2 GLU A 137 -5.880 9.913 1.383 1.00 0.55 H new ATOM 0 HB3 GLU A 137 -6.183 8.415 2.240 1.00 0.55 H new ATOM 0 HG2 GLU A 137 -5.566 7.793 0.010 1.00 0.94 H new ATOM 0 HG3 GLU A 137 -7.292 7.514 0.133 1.00 0.94 H new ATOM 1630 N LEU A 138 -8.567 8.141 3.752 1.00 0.46 N ATOM 1631 CA LEU A 138 -9.377 7.182 4.512 1.00 0.47 C ATOM 1632 C LEU A 138 -10.861 7.604 4.573 1.00 0.52 C ATOM 1633 O LEU A 138 -11.748 6.767 4.389 1.00 0.56 O ATOM 1634 CB LEU A 138 -8.739 7.021 5.909 1.00 0.42 C ATOM 1635 CG LEU A 138 -7.492 6.114 5.934 1.00 0.45 C ATOM 1636 CD1 LEU A 138 -6.776 6.255 7.279 1.00 0.45 C ATOM 1637 CD2 LEU A 138 -7.840 4.635 5.749 1.00 0.49 C ATOM 0 H LEU A 138 -7.814 8.562 4.297 1.00 0.46 H new ATOM 0 HA LEU A 138 -9.382 6.214 4.010 1.00 0.47 H new ATOM 0 HB2 LEU A 138 -8.465 8.006 6.287 1.00 0.42 H new ATOM 0 HB3 LEU A 138 -9.485 6.613 6.592 1.00 0.42 H new ATOM 0 HG LEU A 138 -6.858 6.433 5.106 1.00 0.45 H new ATOM 0 HD11 LEU A 138 -5.896 5.612 7.292 1.00 0.45 H new ATOM 0 HD12 LEU A 138 -6.471 7.292 7.422 1.00 0.45 H new ATOM 0 HD13 LEU A 138 -7.451 5.962 8.083 1.00 0.45 H new ATOM 0 HD21 LEU A 138 -6.927 4.040 5.774 1.00 0.49 H new ATOM 0 HD22 LEU A 138 -8.504 4.314 6.552 1.00 0.49 H new ATOM 0 HD23 LEU A 138 -8.337 4.496 4.789 1.00 0.49 H new ATOM 1649 N LYS A 139 -11.153 8.905 4.720 1.00 0.56 N ATOM 1650 CA LYS A 139 -12.530 9.443 4.717 1.00 0.68 C ATOM 1651 C LYS A 139 -13.237 9.307 3.354 1.00 0.72 C ATOM 1652 O LYS A 139 -14.467 9.207 3.345 1.00 0.77 O ATOM 1653 CB LYS A 139 -12.538 10.902 5.212 1.00 0.79 C ATOM 1654 CG LYS A 139 -12.141 11.054 6.689 1.00 0.85 C ATOM 1655 CD LYS A 139 -11.807 12.518 7.004 1.00 0.70 C ATOM 1656 CE LYS A 139 -10.925 12.679 8.248 1.00 0.68 C ATOM 1657 NZ LYS A 139 -10.669 14.114 8.515 1.00 0.79 N ATOM 0 H LYS A 139 -10.438 9.622 4.845 1.00 0.56 H new ATOM 0 HA LYS A 139 -13.108 8.832 5.410 1.00 0.68 H new ATOM 0 HB2 LYS A 139 -11.854 11.489 4.599 1.00 0.79 H new ATOM 0 HB3 LYS A 139 -13.534 11.320 5.068 1.00 0.79 H new ATOM 0 HG2 LYS A 139 -12.956 10.714 7.328 1.00 0.85 H new ATOM 0 HG3 LYS A 139 -11.280 10.422 6.908 1.00 0.85 H new ATOM 0 HD2 LYS A 139 -11.300 12.961 6.147 1.00 0.70 H new ATOM 0 HD3 LYS A 139 -12.734 13.073 7.149 1.00 0.70 H new ATOM 0 HE2 LYS A 139 -11.413 12.223 9.110 1.00 0.68 H new ATOM 0 HE3 LYS A 139 -9.980 12.155 8.103 1.00 0.68 H new ATOM 0 HZ1 LYS A 139 -10.410 14.240 9.514 1.00 0.79 H new ATOM 0 HZ2 LYS A 139 -9.890 14.446 7.911 1.00 0.79 H new ATOM 0 HZ3 LYS A 139 -11.527 14.664 8.308 1.00 0.79 H new ATOM 1671 N LYS A 140 -12.520 9.197 2.222 1.00 0.78 N ATOM 1672 CA LYS A 140 -13.108 8.908 0.888 1.00 0.86 C ATOM 1673 C LYS A 140 -13.710 7.502 0.776 1.00 0.83 C ATOM 1674 O LYS A 140 -14.620 7.305 -0.026 1.00 0.99 O ATOM 1675 CB LYS A 140 -12.065 9.090 -0.228 1.00 1.02 C ATOM 1676 CG LYS A 140 -11.503 10.514 -0.297 1.00 1.12 C ATOM 1677 CD LYS A 140 -10.260 10.601 -1.182 1.00 1.33 C ATOM 1678 CE LYS A 140 -9.517 11.905 -0.870 1.00 1.81 C ATOM 1679 NZ LYS A 140 -8.423 12.139 -1.837 1.00 2.01 N ATOM 0 H LYS A 140 -11.506 9.306 2.200 1.00 0.78 H new ATOM 0 HA LYS A 140 -13.919 9.627 0.770 1.00 0.86 H new ATOM 0 HB2 LYS A 140 -11.245 8.389 -0.069 1.00 1.02 H new ATOM 0 HB3 LYS A 140 -12.519 8.838 -1.186 1.00 1.02 H new ATOM 0 HG2 LYS A 140 -12.269 11.187 -0.682 1.00 1.12 H new ATOM 0 HG3 LYS A 140 -11.256 10.854 0.709 1.00 1.12 H new ATOM 0 HD2 LYS A 140 -9.610 9.745 -1.003 1.00 1.33 H new ATOM 0 HD3 LYS A 140 -10.544 10.572 -2.234 1.00 1.33 H new ATOM 0 HE2 LYS A 140 -10.216 12.741 -0.898 1.00 1.81 H new ATOM 0 HE3 LYS A 140 -9.110 11.863 0.140 1.00 1.81 H new ATOM 0 HZ1 LYS A 140 -8.116 13.131 -1.781 1.00 2.01 H new ATOM 0 HZ2 LYS A 140 -7.622 11.515 -1.612 1.00 2.01 H new ATOM 0 HZ3 LYS A 140 -8.761 11.935 -2.799 1.00 2.01 H new ATOM 1693 N LEU A 141 -13.251 6.554 1.603 1.00 0.74 N ATOM 1694 CA LEU A 141 -13.820 5.219 1.779 1.00 0.74 C ATOM 1695 C LEU A 141 -14.868 5.171 2.914 1.00 0.70 C ATOM 1696 O LEU A 141 -15.542 4.154 3.110 1.00 0.83 O ATOM 1697 CB LEU A 141 -12.665 4.257 2.095 1.00 0.78 C ATOM 1698 CG LEU A 141 -11.765 3.776 0.945 1.00 0.67 C ATOM 1699 CD1 LEU A 141 -12.547 3.045 -0.143 1.00 1.24 C ATOM 1700 CD2 LEU A 141 -10.957 4.915 0.337 1.00 1.27 C ATOM 0 H LEU A 141 -12.434 6.708 2.194 1.00 0.74 H new ATOM 0 HA LEU A 141 -14.337 4.933 0.863 1.00 0.74 H new ATOM 0 HB2 LEU A 141 -12.026 4.740 2.834 1.00 0.78 H new ATOM 0 HB3 LEU A 141 -13.092 3.374 2.571 1.00 0.78 H new ATOM 0 HG LEU A 141 -11.071 3.064 1.391 1.00 0.67 H new ATOM 0 HD11 LEU A 141 -11.864 2.727 -0.931 1.00 1.24 H new ATOM 0 HD12 LEU A 141 -13.038 2.172 0.286 1.00 1.24 H new ATOM 0 HD13 LEU A 141 -13.298 3.714 -0.563 1.00 1.24 H new ATOM 0 HD21 LEU A 141 -10.336 4.529 -0.471 1.00 1.27 H new ATOM 0 HD22 LEU A 141 -11.635 5.673 -0.056 1.00 1.27 H new ATOM 0 HD23 LEU A 141 -10.321 5.359 1.103 1.00 1.27 H new ATOM 1712 N GLY A 142 -14.964 6.243 3.708 1.00 0.61 N ATOM 1713 CA GLY A 142 -15.691 6.288 4.979 1.00 0.57 C ATOM 1714 C GLY A 142 -14.954 5.626 6.153 1.00 0.60 C ATOM 1715 O GLY A 142 -15.600 5.310 7.154 1.00 0.82 O ATOM 0 H GLY A 142 -14.523 7.132 3.475 1.00 0.61 H new ATOM 0 HA2 GLY A 142 -15.892 7.329 5.232 1.00 0.57 H new ATOM 0 HA3 GLY A 142 -16.657 5.799 4.849 1.00 0.57 H new ATOM 1719 N ILE A 143 -13.639 5.376 6.053 1.00 0.47 N ATOM 1720 CA ILE A 143 -12.825 4.797 7.132 1.00 0.48 C ATOM 1721 C ILE A 143 -12.353 5.875 8.121 1.00 0.46 C ATOM 1722 O ILE A 143 -11.853 6.941 7.748 1.00 0.48 O ATOM 1723 CB ILE A 143 -11.621 3.966 6.619 1.00 0.52 C ATOM 1724 CG1 ILE A 143 -12.033 2.873 5.605 1.00 0.56 C ATOM 1725 CG2 ILE A 143 -10.932 3.330 7.847 1.00 0.61 C ATOM 1726 CD1 ILE A 143 -10.860 2.169 4.887 1.00 0.61 C ATOM 0 H ILE A 143 -13.104 5.574 5.207 1.00 0.47 H new ATOM 0 HA ILE A 143 -13.483 4.103 7.655 1.00 0.48 H new ATOM 0 HB ILE A 143 -10.941 4.629 6.084 1.00 0.52 H new ATOM 0 HG12 ILE A 143 -12.624 2.120 6.126 1.00 0.56 H new ATOM 0 HG13 ILE A 143 -12.681 3.323 4.853 1.00 0.56 H new ATOM 0 HG21 ILE A 143 -10.078 2.737 7.519 1.00 0.61 H new ATOM 0 HG22 ILE A 143 -10.590 4.116 8.520 1.00 0.61 H new ATOM 0 HG23 ILE A 143 -11.641 2.687 8.370 1.00 0.61 H new ATOM 0 HD11 ILE A 143 -11.252 1.421 4.198 1.00 0.61 H new ATOM 0 HD12 ILE A 143 -10.279 2.905 4.332 1.00 0.61 H new ATOM 0 HD13 ILE A 143 -10.221 1.684 5.624 1.00 0.61 H new ATOM 1738 N HIS A 144 -12.443 5.530 9.401 1.00 0.49 N ATOM 1739 CA HIS A 144 -11.960 6.292 10.546 1.00 0.51 C ATOM 1740 C HIS A 144 -10.488 5.987 10.867 1.00 0.49 C ATOM 1741 O HIS A 144 -10.159 4.892 11.336 1.00 0.55 O ATOM 1742 CB HIS A 144 -12.875 5.899 11.706 1.00 0.64 C ATOM 1743 CG HIS A 144 -12.753 6.731 12.958 1.00 0.84 C ATOM 1744 ND1 HIS A 144 -13.632 7.702 13.383 1.00 1.18 N ATOM 1745 CD2 HIS A 144 -11.834 6.561 13.957 1.00 1.03 C ATOM 1746 CE1 HIS A 144 -13.253 8.107 14.605 1.00 1.36 C ATOM 1747 NE2 HIS A 144 -12.169 7.422 15.009 1.00 1.27 N ATOM 0 H HIS A 144 -12.884 4.655 9.684 1.00 0.49 H new ATOM 0 HA HIS A 144 -11.990 7.363 10.347 1.00 0.51 H new ATOM 0 HB2 HIS A 144 -13.908 5.948 11.360 1.00 0.64 H new ATOM 0 HB3 HIS A 144 -12.675 4.859 11.964 1.00 0.64 H new ATOM 0 HD2 HIS A 144 -10.995 5.881 13.938 1.00 1.03 H new ATOM 0 HE1 HIS A 144 -13.748 8.874 15.182 1.00 1.36 H new ATOM 0 HE2 HIS A 144 -11.687 7.512 15.903 1.00 1.27 H new ATOM 1755 N SER A 145 -9.595 6.959 10.677 1.00 0.46 N ATOM 1756 CA SER A 145 -8.261 6.942 11.276 1.00 0.46 C ATOM 1757 C SER A 145 -8.357 6.922 12.807 1.00 0.49 C ATOM 1758 O SER A 145 -8.965 7.775 13.424 1.00 0.56 O ATOM 1759 CB SER A 145 -7.479 8.169 10.780 1.00 0.46 C ATOM 1760 OG SER A 145 -6.484 8.565 11.707 1.00 0.46 O ATOM 0 H SER A 145 -9.777 7.782 10.102 1.00 0.46 H new ATOM 0 HA SER A 145 -7.732 6.038 10.974 1.00 0.46 H new ATOM 0 HB2 SER A 145 -7.013 7.941 9.821 1.00 0.46 H new ATOM 0 HB3 SER A 145 -8.168 8.996 10.610 1.00 0.46 H new ATOM 0 HG SER A 145 -5.613 8.217 11.421 1.00 0.46 H new ATOM 1766 N ALA A 146 -7.690 5.984 13.458 1.00 0.48 N ATOM 1767 CA ALA A 146 -7.562 5.895 14.913 1.00 0.49 C ATOM 1768 C ALA A 146 -6.763 7.063 15.540 1.00 0.56 C ATOM 1769 O ALA A 146 -6.671 7.158 16.767 1.00 0.82 O ATOM 1770 CB ALA A 146 -6.961 4.527 15.251 1.00 0.53 C ATOM 0 H ALA A 146 -7.201 5.231 12.973 1.00 0.48 H new ATOM 0 HA ALA A 146 -8.553 5.989 15.358 1.00 0.49 H new ATOM 0 HB1 ALA A 146 -6.854 4.433 16.332 1.00 0.53 H new ATOM 0 HB2 ALA A 146 -7.618 3.740 14.882 1.00 0.53 H new ATOM 0 HB3 ALA A 146 -5.982 4.433 14.780 1.00 0.53 H new ATOM 1776 N LEU A 147 -6.212 7.979 14.731 1.00 0.47 N ATOM 1777 CA LEU A 147 -5.559 9.207 15.133 1.00 0.53 C ATOM 1778 C LEU A 147 -6.493 10.436 15.070 1.00 0.65 C ATOM 1779 O LEU A 147 -6.051 11.558 15.318 1.00 0.92 O ATOM 1780 CB LEU A 147 -4.327 9.348 14.229 1.00 0.54 C ATOM 1781 CG LEU A 147 -3.342 8.169 14.153 1.00 0.56 C ATOM 1782 CD1 LEU A 147 -2.025 8.601 13.510 1.00 0.69 C ATOM 1783 CD2 LEU A 147 -3.035 7.596 15.525 1.00 0.57 C ATOM 0 H LEU A 147 -6.217 7.863 13.718 1.00 0.47 H new ATOM 0 HA LEU A 147 -5.267 9.162 16.182 1.00 0.53 H new ATOM 0 HB2 LEU A 147 -4.678 9.554 13.218 1.00 0.54 H new ATOM 0 HB3 LEU A 147 -3.771 10.226 14.559 1.00 0.54 H new ATOM 0 HG LEU A 147 -3.825 7.403 13.546 1.00 0.56 H new ATOM 0 HD11 LEU A 147 -1.345 7.750 13.467 1.00 0.69 H new ATOM 0 HD12 LEU A 147 -2.215 8.965 12.500 1.00 0.69 H new ATOM 0 HD13 LEU A 147 -1.574 9.397 14.103 1.00 0.69 H new ATOM 0 HD21 LEU A 147 -2.336 6.766 15.424 1.00 0.57 H new ATOM 0 HD22 LEU A 147 -2.592 8.370 16.152 1.00 0.57 H new ATOM 0 HD23 LEU A 147 -3.957 7.240 15.985 1.00 0.57 H new ATOM 1795 N LEU A 148 -7.786 10.252 14.763 1.00 0.59 N ATOM 1796 CA LEU A 148 -8.795 11.295 14.614 1.00 0.75 C ATOM 1797 C LEU A 148 -8.920 12.248 15.816 1.00 1.09 C ATOM 1798 O LEU A 148 -9.329 13.402 15.652 1.00 1.55 O ATOM 1799 CB LEU A 148 -10.155 10.603 14.345 1.00 0.71 C ATOM 1800 CG LEU A 148 -10.712 11.020 12.972 1.00 1.09 C ATOM 1801 CD1 LEU A 148 -10.525 9.934 11.944 1.00 2.24 C ATOM 1802 CD2 LEU A 148 -12.176 11.442 13.006 1.00 2.44 C ATOM 0 H LEU A 148 -8.169 9.320 14.605 1.00 0.59 H new ATOM 0 HA LEU A 148 -8.482 11.929 13.784 1.00 0.75 H new ATOM 0 HB2 LEU A 148 -10.032 9.521 14.380 1.00 0.71 H new ATOM 0 HB3 LEU A 148 -10.866 10.868 15.128 1.00 0.71 H new ATOM 0 HG LEU A 148 -10.130 11.896 12.687 1.00 1.09 H new ATOM 0 HD11 LEU A 148 -10.930 10.265 10.988 1.00 2.24 H new ATOM 0 HD12 LEU A 148 -9.463 9.718 11.832 1.00 2.24 H new ATOM 0 HD13 LEU A 148 -11.047 9.033 12.267 1.00 2.24 H new ATOM 0 HD21 LEU A 148 -12.497 11.722 12.003 1.00 2.44 H new ATOM 0 HD22 LEU A 148 -12.786 10.612 13.364 1.00 2.44 H new ATOM 0 HD23 LEU A 148 -12.294 12.294 13.675 1.00 2.44 H new ATOM 1814 N ASP A 149 -8.573 11.765 17.010 1.00 1.30 N ATOM 1815 CA ASP A 149 -8.680 12.467 18.294 1.00 2.02 C ATOM 1816 C ASP A 149 -7.321 12.800 18.941 1.00 2.35 C ATOM 1817 O ASP A 149 -7.187 12.917 20.162 1.00 2.85 O ATOM 1818 CB ASP A 149 -9.614 11.650 19.189 1.00 2.39 C ATOM 1819 CG ASP A 149 -10.142 12.411 20.411 1.00 3.21 C ATOM 1820 OD1 ASP A 149 -10.302 13.654 20.354 1.00 4.67 O ATOM 1821 OD2 ASP A 149 -10.408 11.747 21.444 1.00 3.10 O ATOM 0 H ASP A 149 -8.190 10.826 17.115 1.00 1.30 H new ATOM 0 HA ASP A 149 -9.108 13.457 18.133 1.00 2.02 H new ATOM 0 HB2 ASP A 149 -10.461 11.308 18.594 1.00 2.39 H new ATOM 0 HB3 ASP A 149 -9.085 10.760 19.530 1.00 2.39 H new ATOM 1826 N GLU A 150 -6.285 12.913 18.113 1.00 2.22 N ATOM 1827 CA GLU A 150 -4.924 13.331 18.445 1.00 2.76 C ATOM 1828 C GLU A 150 -4.705 14.809 18.091 1.00 3.49 C ATOM 1829 O GLU A 150 -4.359 15.121 16.928 1.00 4.95 O ATOM 1830 CB GLU A 150 -3.953 12.393 17.715 1.00 2.71 C ATOM 1831 CG GLU A 150 -4.002 10.917 18.148 1.00 2.64 C ATOM 1832 CD GLU A 150 -3.229 10.651 19.446 1.00 2.98 C ATOM 1833 OE1 GLU A 150 -1.980 10.533 19.390 1.00 3.52 O ATOM 1834 OE2 GLU A 150 -3.854 10.504 20.531 1.00 3.83 O ATOM 0 H GLU A 150 -6.381 12.699 17.120 1.00 2.22 H new ATOM 0 HA GLU A 150 -4.745 13.256 19.518 1.00 2.76 H new ATOM 0 HB2 GLU A 150 -4.159 12.446 16.646 1.00 2.71 H new ATOM 0 HB3 GLU A 150 -2.938 12.763 17.863 1.00 2.71 H new ATOM 0 HG2 GLU A 150 -5.041 10.617 18.282 1.00 2.64 H new ATOM 0 HG3 GLU A 150 -3.591 10.296 17.352 1.00 2.64 H new