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 80 HIS : no HD1:sc= -0.744 K(o=0.13,f=-8.2!) USER MOD Set 1.2: A 129 HIS : no HD1:sc= -0.781 K(o=0.13,f=-4.1) USER MOD Set 1.3: A 145 SER OG : rot 121:sc= 1.66 USER MOD Set 2.1: A 66 GLN : amide:sc= -6.41! C(o=-5.4!,f=-5.3!) USER MOD Set 2.2: A 70 SER OG : rot -53:sc= 1.02 USER MOD Single : A 44 GLN : amide:sc= 0.758 K(o=0.76,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -167:sc= 1.22 (180deg=0.998) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -162:sc= 0.743 (180deg=0.584) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.177 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.00014) USER MOD Single : A 75 GLN : amide:sc= -0.77 K(o=-0.77,f=-0.26) USER MOD Single : A 85 TYR OH : rot 150:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.444! K(o=-0.44!,f=-1.2) 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 104 SER OG : rot -85:sc= 1.26 USER MOD Single : A 105 ASN : amide:sc= 0.694 K(o=0.69,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 111 GLN : amide:sc= 1.05 K(o=1,f=-0.5) USER MOD Single : A 113 TYR OH : rot -114:sc= 0.00752 USER MOD Single : A 115 ASN : amide:sc= -0.0637 K(o=-0.064,f=-0.69) USER MOD Single : A 122 CYS SG : rot -152:sc= 0.169 USER MOD Single : A 127 GLN : amide:sc= 0.744 K(o=0.74,f=-0.069) USER MOD Single : A 128 MET CE :methyl -114:sc= -0.505 (180deg=-1.02) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 ASN : amide:sc= 0.833 K(o=0.83,f=-6.9!) USER MOD Single : A 139 LYS NZ :NH3+ 154:sc= 1.24 (180deg=0.486) USER MOD Single : A 140 LYS NZ :NH3+ 155:sc= 0.988 (180deg=0.0482) USER MOD Single : A 144 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 42 -1.370 -3.029 -17.543 1.00 1.07 N ATOM 129 CA ALA A 42 -2.081 -2.125 -16.644 1.00 0.89 C ATOM 130 C ALA A 42 -3.556 -2.504 -16.432 1.00 0.74 C ATOM 131 O ALA A 42 -4.046 -2.401 -15.311 1.00 0.61 O ATOM 132 CB ALA A 42 -1.911 -0.703 -17.165 1.00 1.07 C ATOM 0 HA ALA A 42 -1.643 -2.207 -15.649 1.00 0.89 H new ATOM 0 HB1 ALA A 42 -2.435 -0.009 -16.507 1.00 1.07 H new ATOM 0 HB2 ALA A 42 -0.851 -0.449 -17.190 1.00 1.07 H new ATOM 0 HB3 ALA A 42 -2.325 -0.632 -18.171 1.00 1.07 H new ATOM 138 N GLU A 43 -4.237 -3.035 -17.450 1.00 0.82 N ATOM 139 CA GLU A 43 -5.599 -3.571 -17.313 1.00 0.77 C ATOM 140 C GLU A 43 -5.708 -4.786 -16.368 1.00 0.73 C ATOM 141 O GLU A 43 -6.785 -5.053 -15.827 1.00 0.75 O ATOM 142 CB GLU A 43 -6.181 -3.898 -18.696 1.00 0.91 C ATOM 143 CG GLU A 43 -5.496 -5.064 -19.426 1.00 0.94 C ATOM 144 CD GLU A 43 -6.216 -5.400 -20.736 1.00 1.45 C ATOM 145 OE1 GLU A 43 -7.472 -5.434 -20.758 1.00 2.77 O ATOM 146 OE2 GLU A 43 -5.547 -5.623 -21.774 1.00 2.35 O ATOM 0 H GLU A 43 -3.861 -3.107 -18.396 1.00 0.82 H new ATOM 0 HA GLU A 43 -6.189 -2.785 -16.841 1.00 0.77 H new ATOM 0 HB2 GLU A 43 -7.240 -4.131 -18.583 1.00 0.91 H new ATOM 0 HB3 GLU A 43 -6.115 -3.008 -19.322 1.00 0.91 H new ATOM 0 HG2 GLU A 43 -4.458 -4.806 -19.635 1.00 0.94 H new ATOM 0 HG3 GLU A 43 -5.482 -5.942 -18.780 1.00 0.94 H new ATOM 153 N GLN A 44 -4.617 -5.522 -16.131 1.00 0.78 N ATOM 154 CA GLN A 44 -4.566 -6.587 -15.127 1.00 0.77 C ATOM 155 C GLN A 44 -4.261 -6.021 -13.746 1.00 0.63 C ATOM 156 O GLN A 44 -4.963 -6.324 -12.782 1.00 0.61 O ATOM 157 CB GLN A 44 -3.498 -7.608 -15.520 1.00 0.90 C ATOM 158 CG GLN A 44 -3.222 -8.678 -14.452 1.00 0.89 C ATOM 159 CD GLN A 44 -4.442 -9.537 -14.136 1.00 1.04 C ATOM 160 OE1 GLN A 44 -4.643 -10.600 -14.704 1.00 1.43 O ATOM 161 NE2 GLN A 44 -5.318 -9.106 -13.258 1.00 1.03 N ATOM 0 H GLN A 44 -3.739 -5.394 -16.635 1.00 0.78 H new ATOM 0 HA GLN A 44 -5.541 -7.073 -15.086 1.00 0.77 H new ATOM 0 HB2 GLN A 44 -3.806 -8.102 -16.441 1.00 0.90 H new ATOM 0 HB3 GLN A 44 -2.569 -7.080 -15.737 1.00 0.90 H new ATOM 0 HG2 GLN A 44 -2.410 -9.321 -14.792 1.00 0.89 H new ATOM 0 HG3 GLN A 44 -2.881 -8.191 -13.538 1.00 0.89 H new ATOM 0 HE21 GLN A 44 -5.164 -8.220 -12.776 1.00 1.03 H new ATOM 0 HE22 GLN A 44 -6.153 -9.657 -13.058 1.00 1.03 H new ATOM 170 N LEU A 45 -3.203 -5.225 -13.628 1.00 0.57 N ATOM 171 CA LEU A 45 -2.813 -4.593 -12.374 1.00 0.43 C ATOM 172 C LEU A 45 -3.924 -3.718 -11.781 1.00 0.34 C ATOM 173 O LEU A 45 -4.110 -3.751 -10.570 1.00 0.30 O ATOM 174 CB LEU A 45 -1.544 -3.797 -12.644 1.00 0.43 C ATOM 175 CG LEU A 45 -0.242 -4.618 -12.606 1.00 0.47 C ATOM 176 CD1 LEU A 45 0.164 -4.896 -11.154 1.00 0.36 C ATOM 177 CD2 LEU A 45 -0.264 -5.939 -13.375 1.00 0.66 C ATOM 0 H LEU A 45 -2.587 -4.999 -14.409 1.00 0.57 H new ATOM 0 HA LEU A 45 -2.629 -5.358 -11.619 1.00 0.43 H new ATOM 0 HB2 LEU A 45 -1.630 -3.325 -13.623 1.00 0.43 H new ATOM 0 HB3 LEU A 45 -1.472 -2.995 -11.909 1.00 0.43 H new ATOM 0 HG LEU A 45 0.487 -3.991 -13.119 1.00 0.47 H new ATOM 0 HD11 LEU A 45 1.086 -5.477 -11.139 1.00 0.36 H new ATOM 0 HD12 LEU A 45 0.322 -3.952 -10.633 1.00 0.36 H new ATOM 0 HD13 LEU A 45 -0.627 -5.457 -10.656 1.00 0.36 H new ATOM 0 HD21 LEU A 45 0.703 -6.432 -13.279 1.00 0.66 H new ATOM 0 HD22 LEU A 45 -1.042 -6.584 -12.967 1.00 0.66 H new ATOM 0 HD23 LEU A 45 -0.469 -5.744 -14.428 1.00 0.66 H new ATOM 189 N ASP A 46 -4.730 -3.061 -12.619 1.00 0.38 N ATOM 190 CA ASP A 46 -5.983 -2.389 -12.230 1.00 0.36 C ATOM 191 C ASP A 46 -6.937 -3.356 -11.502 1.00 0.38 C ATOM 192 O ASP A 46 -7.436 -3.114 -10.399 1.00 0.42 O ATOM 193 CB ASP A 46 -6.678 -1.879 -13.505 1.00 0.47 C ATOM 194 CG ASP A 46 -8.134 -1.453 -13.269 1.00 1.05 C ATOM 195 OD1 ASP A 46 -8.418 -0.705 -12.310 1.00 1.68 O ATOM 196 OD2 ASP A 46 -9.005 -1.908 -14.052 1.00 2.24 O ATOM 0 H ASP A 46 -4.528 -2.977 -13.615 1.00 0.38 H new ATOM 0 HA ASP A 46 -5.742 -1.569 -11.554 1.00 0.36 H new ATOM 0 HB2 ASP A 46 -6.118 -1.033 -13.903 1.00 0.47 H new ATOM 0 HB3 ASP A 46 -6.653 -2.662 -14.263 1.00 0.47 H new ATOM 201 N ALA A 47 -7.132 -4.521 -12.115 1.00 0.48 N ATOM 202 CA ALA A 47 -8.056 -5.535 -11.630 1.00 0.63 C ATOM 203 C ALA A 47 -7.529 -6.160 -10.339 1.00 0.66 C ATOM 204 O ALA A 47 -8.331 -6.583 -9.510 1.00 0.85 O ATOM 205 CB ALA A 47 -8.263 -6.589 -12.723 1.00 0.77 C ATOM 0 H ALA A 47 -6.646 -4.787 -12.971 1.00 0.48 H new ATOM 0 HA ALA A 47 -9.019 -5.079 -11.400 1.00 0.63 H new ATOM 0 HB1 ALA A 47 -8.955 -7.352 -12.366 1.00 0.77 H new ATOM 0 HB2 ALA A 47 -8.675 -6.114 -13.613 1.00 0.77 H new ATOM 0 HB3 ALA A 47 -7.307 -7.052 -12.968 1.00 0.77 H new ATOM 211 N LEU A 48 -6.201 -6.165 -10.171 1.00 0.54 N ATOM 212 CA LEU A 48 -5.470 -6.592 -8.983 1.00 0.54 C ATOM 213 C LEU A 48 -5.597 -5.584 -7.825 1.00 0.52 C ATOM 214 O LEU A 48 -5.972 -5.972 -6.721 1.00 0.60 O ATOM 215 CB LEU A 48 -4.004 -6.816 -9.397 1.00 0.49 C ATOM 216 CG LEU A 48 -3.536 -8.274 -9.298 1.00 0.59 C ATOM 217 CD1 LEU A 48 -2.291 -8.492 -10.157 1.00 0.65 C ATOM 218 CD2 LEU A 48 -3.204 -8.631 -7.861 1.00 0.93 C ATOM 0 H LEU A 48 -5.573 -5.850 -10.911 1.00 0.54 H new ATOM 0 HA LEU A 48 -5.896 -7.519 -8.600 1.00 0.54 H new ATOM 0 HB2 LEU A 48 -3.872 -6.473 -10.423 1.00 0.49 H new ATOM 0 HB3 LEU A 48 -3.363 -6.197 -8.769 1.00 0.49 H new ATOM 0 HG LEU A 48 -4.346 -8.910 -9.654 1.00 0.59 H new ATOM 0 HD11 LEU A 48 -1.971 -9.531 -10.077 1.00 0.65 H new ATOM 0 HD12 LEU A 48 -2.522 -8.263 -11.197 1.00 0.65 H new ATOM 0 HD13 LEU A 48 -1.491 -7.838 -9.811 1.00 0.65 H new ATOM 0 HD21 LEU A 48 -2.874 -9.669 -7.811 1.00 0.93 H new ATOM 0 HD22 LEU A 48 -2.409 -7.979 -7.499 1.00 0.93 H new ATOM 0 HD23 LEU A 48 -4.090 -8.502 -7.240 1.00 0.93 H new ATOM 230 N VAL A 49 -5.376 -4.283 -8.063 1.00 0.45 N ATOM 231 CA VAL A 49 -5.616 -3.232 -7.047 1.00 0.46 C ATOM 232 C VAL A 49 -7.101 -3.088 -6.693 1.00 0.48 C ATOM 233 O VAL A 49 -7.428 -2.522 -5.654 1.00 0.53 O ATOM 234 CB VAL A 49 -5.047 -1.852 -7.432 1.00 0.45 C ATOM 235 CG1 VAL A 49 -3.539 -1.832 -7.618 1.00 0.47 C ATOM 236 CG2 VAL A 49 -5.642 -1.289 -8.715 1.00 0.40 C ATOM 0 H VAL A 49 -5.030 -3.926 -8.953 1.00 0.45 H new ATOM 0 HA VAL A 49 -5.071 -3.580 -6.169 1.00 0.46 H new ATOM 0 HB VAL A 49 -5.325 -1.239 -6.575 1.00 0.45 H new ATOM 0 HG11 VAL A 49 -3.219 -0.825 -7.887 1.00 0.47 H new ATOM 0 HG12 VAL A 49 -3.054 -2.131 -6.689 1.00 0.47 H new ATOM 0 HG13 VAL A 49 -3.261 -2.526 -8.412 1.00 0.47 H new ATOM 0 HG21 VAL A 49 -5.197 -0.317 -8.926 1.00 0.40 H new ATOM 0 HG22 VAL A 49 -5.436 -1.970 -9.541 1.00 0.40 H new ATOM 0 HG23 VAL A 49 -6.720 -1.177 -8.598 1.00 0.40 H new ATOM 246 N LYS A 50 -8.016 -3.616 -7.517 1.00 0.48 N ATOM 247 CA LYS A 50 -9.461 -3.629 -7.227 1.00 0.49 C ATOM 248 C LYS A 50 -9.999 -4.713 -6.292 1.00 0.39 C ATOM 249 O LYS A 50 -11.157 -4.646 -5.869 1.00 0.48 O ATOM 250 CB LYS A 50 -10.223 -3.572 -8.558 1.00 0.68 C ATOM 251 CG LYS A 50 -10.930 -2.228 -8.631 1.00 1.11 C ATOM 252 CD LYS A 50 -9.989 -1.008 -8.552 1.00 1.18 C ATOM 253 CE LYS A 50 -10.509 0.264 -9.233 1.00 2.37 C ATOM 254 NZ LYS A 50 -10.409 0.209 -10.713 1.00 4.01 N ATOM 0 H LYS A 50 -7.776 -4.049 -8.409 1.00 0.48 H new ATOM 0 HA LYS A 50 -9.638 -2.741 -6.621 1.00 0.49 H new ATOM 0 HB2 LYS A 50 -9.536 -3.689 -9.397 1.00 0.68 H new ATOM 0 HB3 LYS A 50 -10.944 -4.387 -8.621 1.00 0.68 H new ATOM 0 HG2 LYS A 50 -11.493 -2.177 -9.563 1.00 1.11 H new ATOM 0 HG3 LYS A 50 -11.653 -2.167 -7.818 1.00 1.11 H new ATOM 0 HD2 LYS A 50 -9.796 -0.786 -7.502 1.00 1.18 H new ATOM 0 HD3 LYS A 50 -9.033 -1.277 -9.002 1.00 1.18 H new ATOM 0 HE2 LYS A 50 -11.550 0.422 -8.950 1.00 2.37 H new ATOM 0 HE3 LYS A 50 -9.945 1.122 -8.867 1.00 2.37 H new ATOM 0 HZ1 LYS A 50 -10.562 1.159 -11.107 1.00 4.01 H new ATOM 0 HZ2 LYS A 50 -9.464 -0.130 -10.985 1.00 4.01 H new ATOM 0 HZ3 LYS A 50 -11.130 -0.441 -11.086 1.00 4.01 H new ATOM 268 N LYS A 51 -9.158 -5.671 -5.916 1.00 0.39 N ATOM 269 CA LYS A 51 -9.459 -6.773 -4.977 1.00 0.42 C ATOM 270 C LYS A 51 -9.785 -6.266 -3.571 1.00 0.52 C ATOM 271 O LYS A 51 -10.590 -6.888 -2.874 1.00 0.71 O ATOM 272 CB LYS A 51 -8.275 -7.752 -4.902 1.00 0.52 C ATOM 273 CG LYS A 51 -8.333 -8.972 -5.842 1.00 0.68 C ATOM 274 CD LYS A 51 -8.401 -8.559 -7.311 1.00 1.00 C ATOM 275 CE LYS A 51 -7.813 -9.573 -8.301 1.00 0.86 C ATOM 276 NZ LYS A 51 -8.623 -10.800 -8.457 1.00 1.24 N ATOM 0 H LYS A 51 -8.201 -5.712 -6.267 1.00 0.39 H new ATOM 0 HA LYS A 51 -10.341 -7.284 -5.363 1.00 0.42 H new ATOM 0 HB2 LYS A 51 -7.361 -7.199 -5.116 1.00 0.52 H new ATOM 0 HB3 LYS A 51 -8.196 -8.114 -3.877 1.00 0.52 H new ATOM 0 HG2 LYS A 51 -7.454 -9.596 -5.681 1.00 0.68 H new ATOM 0 HG3 LYS A 51 -9.204 -9.579 -5.595 1.00 0.68 H new ATOM 0 HD2 LYS A 51 -9.444 -8.381 -7.574 1.00 1.00 H new ATOM 0 HD3 LYS A 51 -7.876 -7.612 -7.430 1.00 1.00 H new ATOM 0 HE2 LYS A 51 -7.706 -9.095 -9.275 1.00 0.86 H new ATOM 0 HE3 LYS A 51 -6.812 -9.850 -7.970 1.00 0.86 H new ATOM 0 HZ1 LYS A 51 -8.163 -11.435 -9.140 1.00 1.24 H new ATOM 0 HZ2 LYS A 51 -8.706 -11.281 -7.538 1.00 1.24 H new ATOM 0 HZ3 LYS A 51 -9.571 -10.548 -8.803 1.00 1.24 H new ATOM 290 N ASP A 52 -9.177 -5.157 -3.146 1.00 0.47 N ATOM 291 CA ASP A 52 -9.466 -4.524 -1.859 1.00 0.47 C ATOM 292 C ASP A 52 -9.494 -2.996 -1.928 1.00 0.46 C ATOM 293 O ASP A 52 -9.246 -2.386 -2.968 1.00 0.42 O ATOM 294 CB ASP A 52 -8.446 -4.999 -0.815 1.00 0.49 C ATOM 295 CG ASP A 52 -9.125 -5.221 0.523 1.00 0.57 C ATOM 296 OD1 ASP A 52 -9.193 -4.249 1.301 1.00 1.91 O ATOM 297 OD2 ASP A 52 -9.653 -6.333 0.752 1.00 1.64 O ATOM 0 H ASP A 52 -8.465 -4.670 -3.690 1.00 0.47 H new ATOM 0 HA ASP A 52 -10.471 -4.830 -1.568 1.00 0.47 H new ATOM 0 HB2 ASP A 52 -7.977 -5.924 -1.150 1.00 0.49 H new ATOM 0 HB3 ASP A 52 -7.653 -4.259 -0.709 1.00 0.49 H new ATOM 302 N LYS A 53 -9.776 -2.370 -0.787 1.00 0.50 N ATOM 303 CA LYS A 53 -9.753 -0.914 -0.609 1.00 0.45 C ATOM 304 C LYS A 53 -8.439 -0.363 -0.095 1.00 0.36 C ATOM 305 O LYS A 53 -8.239 0.844 -0.161 1.00 0.32 O ATOM 306 CB LYS A 53 -10.910 -0.415 0.246 1.00 0.47 C ATOM 307 CG LYS A 53 -11.722 -1.442 1.020 1.00 0.89 C ATOM 308 CD LYS A 53 -11.077 -1.922 2.329 1.00 0.58 C ATOM 309 CE LYS A 53 -11.687 -3.258 2.773 1.00 1.02 C ATOM 310 NZ LYS A 53 -11.014 -3.808 3.973 1.00 1.47 N ATOM 0 H LYS A 53 -10.034 -2.872 0.063 1.00 0.50 H new ATOM 0 HA LYS A 53 -9.872 -0.524 -1.620 1.00 0.45 H new ATOM 0 HB2 LYS A 53 -10.510 0.303 0.962 1.00 0.47 H new ATOM 0 HB3 LYS A 53 -11.594 0.130 -0.404 1.00 0.47 H new ATOM 0 HG2 LYS A 53 -12.698 -1.015 1.248 1.00 0.89 H new ATOM 0 HG3 LYS A 53 -11.894 -2.306 0.378 1.00 0.89 H new ATOM 0 HD2 LYS A 53 -10.002 -2.035 2.191 1.00 0.58 H new ATOM 0 HD3 LYS A 53 -11.221 -1.173 3.108 1.00 0.58 H new ATOM 0 HE2 LYS A 53 -12.747 -3.119 2.984 1.00 1.02 H new ATOM 0 HE3 LYS A 53 -11.616 -3.977 1.957 1.00 1.02 H new ATOM 0 HZ1 LYS A 53 -11.233 -4.821 4.060 1.00 1.47 H new ATOM 0 HZ2 LYS A 53 -9.986 -3.683 3.882 1.00 1.47 H new ATOM 0 HZ3 LYS A 53 -11.350 -3.307 4.820 1.00 1.47 H new ATOM 324 N VAL A 54 -7.564 -1.230 0.400 1.00 0.43 N ATOM 325 CA VAL A 54 -6.233 -0.888 0.918 1.00 0.44 C ATOM 326 C VAL A 54 -5.332 -2.013 0.463 1.00 0.51 C ATOM 327 O VAL A 54 -5.072 -2.985 1.172 1.00 0.88 O ATOM 328 CB VAL A 54 -6.169 -0.697 2.451 1.00 0.45 C ATOM 329 CG1 VAL A 54 -5.177 0.391 2.846 1.00 0.48 C ATOM 330 CG2 VAL A 54 -7.512 -0.375 3.084 1.00 0.51 C ATOM 0 H VAL A 54 -7.763 -2.229 0.456 1.00 0.43 H new ATOM 0 HA VAL A 54 -5.927 0.085 0.533 1.00 0.44 H new ATOM 0 HB VAL A 54 -5.838 -1.663 2.831 1.00 0.45 H new ATOM 0 HG11 VAL A 54 -5.162 0.494 3.931 1.00 0.48 H new ATOM 0 HG12 VAL A 54 -4.181 0.121 2.494 1.00 0.48 H new ATOM 0 HG13 VAL A 54 -5.477 1.337 2.396 1.00 0.48 H new ATOM 0 HG21 VAL A 54 -7.388 -0.255 4.160 1.00 0.51 H new ATOM 0 HG22 VAL A 54 -7.902 0.549 2.659 1.00 0.51 H new ATOM 0 HG23 VAL A 54 -8.211 -1.188 2.888 1.00 0.51 H new ATOM 340 N VAL A 55 -4.953 -1.946 -0.801 1.00 0.34 N ATOM 341 CA VAL A 55 -4.140 -3.019 -1.366 1.00 0.29 C ATOM 342 C VAL A 55 -2.682 -2.615 -1.234 1.00 0.26 C ATOM 343 O VAL A 55 -2.245 -1.628 -1.825 1.00 0.32 O ATOM 344 CB VAL A 55 -4.546 -3.392 -2.801 1.00 0.31 C ATOM 345 CG1 VAL A 55 -4.005 -4.783 -3.091 1.00 0.99 C ATOM 346 CG2 VAL A 55 -6.050 -3.592 -2.976 1.00 0.98 C ATOM 0 H VAL A 55 -5.184 -1.187 -1.442 1.00 0.34 H new ATOM 0 HA VAL A 55 -4.309 -3.940 -0.808 1.00 0.29 H new ATOM 0 HB VAL A 55 -4.179 -2.584 -3.433 1.00 0.31 H new ATOM 0 HG11 VAL A 55 -4.278 -5.076 -4.105 1.00 0.99 H new ATOM 0 HG12 VAL A 55 -2.919 -4.779 -2.995 1.00 0.99 H new ATOM 0 HG13 VAL A 55 -4.429 -5.494 -2.382 1.00 0.99 H new ATOM 0 HG21 VAL A 55 -6.264 -3.853 -4.012 1.00 0.98 H new ATOM 0 HG22 VAL A 55 -6.389 -4.396 -2.322 1.00 0.98 H new ATOM 0 HG23 VAL A 55 -6.572 -2.670 -2.719 1.00 0.98 H new ATOM 356 N VAL A 56 -1.945 -3.371 -0.423 1.00 0.22 N ATOM 357 CA VAL A 56 -0.549 -3.101 -0.065 1.00 0.22 C ATOM 358 C VAL A 56 0.353 -4.069 -0.796 1.00 0.22 C ATOM 359 O VAL A 56 -0.041 -5.192 -1.070 1.00 0.24 O ATOM 360 CB VAL A 56 -0.358 -3.145 1.461 1.00 0.24 C ATOM 361 CG1 VAL A 56 1.045 -2.784 1.902 1.00 0.29 C ATOM 362 CG2 VAL A 56 -1.177 -2.044 2.110 1.00 0.33 C ATOM 0 H VAL A 56 -2.311 -4.215 0.018 1.00 0.22 H new ATOM 0 HA VAL A 56 -0.276 -2.093 -0.377 1.00 0.22 H new ATOM 0 HB VAL A 56 -0.628 -4.163 1.741 1.00 0.24 H new ATOM 0 HG11 VAL A 56 1.109 -2.835 2.989 1.00 0.29 H new ATOM 0 HG12 VAL A 56 1.756 -3.484 1.463 1.00 0.29 H new ATOM 0 HG13 VAL A 56 1.281 -1.772 1.572 1.00 0.29 H new ATOM 0 HG21 VAL A 56 -1.040 -2.077 3.191 1.00 0.33 H new ATOM 0 HG22 VAL A 56 -0.849 -1.076 1.732 1.00 0.33 H new ATOM 0 HG23 VAL A 56 -2.231 -2.187 1.873 1.00 0.33 H new ATOM 372 N PHE A 57 1.551 -3.626 -1.142 1.00 0.24 N ATOM 373 CA PHE A 57 2.372 -4.254 -2.170 1.00 0.26 C ATOM 374 C PHE A 57 3.833 -4.225 -1.756 1.00 0.28 C ATOM 375 O PHE A 57 4.453 -3.156 -1.782 1.00 0.36 O ATOM 376 CB PHE A 57 2.198 -3.390 -3.412 1.00 0.30 C ATOM 377 CG PHE A 57 0.989 -3.734 -4.251 1.00 0.31 C ATOM 378 CD1 PHE A 57 1.041 -4.793 -5.176 1.00 1.83 C ATOM 379 CD2 PHE A 57 -0.188 -2.988 -4.107 1.00 1.56 C ATOM 380 CE1 PHE A 57 -0.078 -5.083 -5.980 1.00 1.85 C ATOM 381 CE2 PHE A 57 -1.314 -3.294 -4.891 1.00 1.56 C ATOM 382 CZ PHE A 57 -1.259 -4.328 -5.846 1.00 0.35 C ATOM 0 H PHE A 57 1.988 -2.810 -0.713 1.00 0.24 H new ATOM 0 HA PHE A 57 2.082 -5.292 -2.335 1.00 0.26 H new ATOM 0 HB2 PHE A 57 2.127 -2.346 -3.106 1.00 0.30 H new ATOM 0 HB3 PHE A 57 3.091 -3.481 -4.030 1.00 0.30 H new ATOM 0 HD1 PHE A 57 1.940 -5.384 -5.269 1.00 1.83 H new ATOM 0 HD2 PHE A 57 -0.230 -2.178 -3.394 1.00 1.56 H new ATOM 0 HE1 PHE A 57 -0.030 -5.886 -6.701 1.00 1.85 H new ATOM 0 HE2 PHE A 57 -2.227 -2.733 -4.760 1.00 1.56 H new ATOM 0 HZ PHE A 57 -2.115 -4.540 -6.470 1.00 0.35 H new ATOM 392 N LEU A 58 4.378 -5.366 -1.332 1.00 0.27 N ATOM 393 CA LEU A 58 5.708 -5.405 -0.758 1.00 0.29 C ATOM 394 C LEU A 58 6.379 -6.777 -0.948 1.00 0.40 C ATOM 395 O LEU A 58 5.702 -7.803 -1.067 1.00 0.49 O ATOM 396 CB LEU A 58 5.642 -4.908 0.700 1.00 0.26 C ATOM 397 CG LEU A 58 4.317 -4.996 1.494 1.00 0.25 C ATOM 398 CD1 LEU A 58 3.905 -6.376 2.001 1.00 0.27 C ATOM 399 CD2 LEU A 58 4.412 -4.043 2.676 1.00 0.35 C ATOM 0 H LEU A 58 3.912 -6.272 -1.379 1.00 0.27 H new ATOM 0 HA LEU A 58 6.368 -4.723 -1.294 1.00 0.29 H new ATOM 0 HB2 LEU A 58 6.394 -5.460 1.264 1.00 0.26 H new ATOM 0 HB3 LEU A 58 5.949 -3.862 0.699 1.00 0.26 H new ATOM 0 HG LEU A 58 3.538 -4.731 0.779 1.00 0.25 H new ATOM 0 HD11 LEU A 58 2.961 -6.299 2.540 1.00 0.27 H new ATOM 0 HD12 LEU A 58 3.786 -7.054 1.156 1.00 0.27 H new ATOM 0 HD13 LEU A 58 4.674 -6.762 2.670 1.00 0.27 H new ATOM 0 HD21 LEU A 58 3.488 -4.086 3.253 1.00 0.35 H new ATOM 0 HD22 LEU A 58 5.250 -4.332 3.310 1.00 0.35 H new ATOM 0 HD23 LEU A 58 4.566 -3.027 2.313 1.00 0.35 H new ATOM 411 N LYS A 59 7.718 -6.842 -0.979 1.00 0.46 N ATOM 412 CA LYS A 59 8.445 -8.121 -1.077 1.00 0.62 C ATOM 413 C LYS A 59 8.449 -8.834 0.285 1.00 0.71 C ATOM 414 O LYS A 59 9.496 -9.081 0.851 1.00 0.84 O ATOM 415 CB LYS A 59 9.877 -7.868 -1.622 1.00 0.77 C ATOM 416 CG LYS A 59 10.701 -6.834 -0.821 1.00 0.92 C ATOM 417 CD LYS A 59 12.202 -7.121 -0.672 1.00 1.31 C ATOM 418 CE LYS A 59 12.834 -7.332 -2.041 1.00 1.56 C ATOM 419 NZ LYS A 59 14.308 -7.332 -1.946 1.00 1.99 N ATOM 0 H LYS A 59 8.323 -6.022 -0.938 1.00 0.46 H new ATOM 0 HA LYS A 59 7.940 -8.783 -1.780 1.00 0.62 H new ATOM 0 HB2 LYS A 59 10.419 -8.814 -1.633 1.00 0.77 H new ATOM 0 HB3 LYS A 59 9.803 -7.531 -2.656 1.00 0.77 H new ATOM 0 HG2 LYS A 59 10.586 -5.861 -1.299 1.00 0.92 H new ATOM 0 HG3 LYS A 59 10.269 -6.752 0.176 1.00 0.92 H new ATOM 0 HD2 LYS A 59 12.690 -6.290 -0.162 1.00 1.31 H new ATOM 0 HD3 LYS A 59 12.351 -8.006 -0.054 1.00 1.31 H new ATOM 0 HE2 LYS A 59 12.493 -8.278 -2.462 1.00 1.56 H new ATOM 0 HE3 LYS A 59 12.509 -6.545 -2.721 1.00 1.56 H new ATOM 0 HZ1 LYS A 59 14.717 -7.477 -2.891 1.00 1.99 H new ATOM 0 HZ2 LYS A 59 14.631 -6.420 -1.566 1.00 1.99 H new ATOM 0 HZ3 LYS A 59 14.615 -8.099 -1.314 1.00 1.99 H new ATOM 433 N GLY A 60 7.303 -9.168 0.865 1.00 0.70 N ATOM 434 CA GLY A 60 7.225 -9.534 2.292 1.00 0.73 C ATOM 435 C GLY A 60 5.791 -9.795 2.754 1.00 0.75 C ATOM 436 O GLY A 60 4.853 -9.658 1.967 1.00 0.90 O ATOM 0 H GLY A 60 6.408 -9.196 0.377 1.00 0.70 H new ATOM 0 HA2 GLY A 60 7.828 -10.425 2.468 1.00 0.73 H new ATOM 0 HA3 GLY A 60 7.656 -8.733 2.893 1.00 0.73 H new ATOM 440 N THR A 61 5.610 -10.134 4.024 1.00 0.83 N ATOM 441 CA THR A 61 4.283 -10.200 4.677 1.00 0.77 C ATOM 442 C THR A 61 4.229 -9.221 5.858 1.00 0.76 C ATOM 443 O THR A 61 5.279 -8.811 6.358 1.00 0.85 O ATOM 444 CB THR A 61 3.906 -11.639 5.090 1.00 0.94 C ATOM 445 OG1 THR A 61 4.600 -12.046 6.243 1.00 1.35 O ATOM 446 CG2 THR A 61 4.158 -12.667 3.986 1.00 0.78 C ATOM 0 H THR A 61 6.380 -10.376 4.647 1.00 0.83 H new ATOM 0 HA THR A 61 3.530 -9.895 3.950 1.00 0.77 H new ATOM 0 HB THR A 61 2.835 -11.604 5.291 1.00 0.94 H new ATOM 0 HG1 THR A 61 4.337 -12.960 6.478 1.00 1.35 H new ATOM 0 HG21 THR A 61 3.873 -13.658 4.339 1.00 0.78 H new ATOM 0 HG22 THR A 61 3.565 -12.410 3.108 1.00 0.78 H new ATOM 0 HG23 THR A 61 5.216 -12.666 3.723 1.00 0.78 H new ATOM 454 N PRO A 62 3.040 -8.784 6.312 1.00 0.65 N ATOM 455 CA PRO A 62 2.928 -7.772 7.365 1.00 0.60 C ATOM 456 C PRO A 62 3.266 -8.337 8.757 1.00 0.89 C ATOM 457 O PRO A 62 3.632 -7.585 9.656 1.00 0.99 O ATOM 458 CB PRO A 62 1.477 -7.292 7.291 1.00 0.49 C ATOM 459 CG PRO A 62 0.740 -8.550 6.832 1.00 0.65 C ATOM 460 CD PRO A 62 1.719 -9.183 5.855 1.00 0.64 C ATOM 0 HA PRO A 62 3.640 -6.960 7.216 1.00 0.60 H new ATOM 0 HB2 PRO A 62 1.116 -6.939 8.257 1.00 0.49 H new ATOM 0 HB3 PRO A 62 1.356 -6.470 6.586 1.00 0.49 H new ATOM 0 HG2 PRO A 62 0.517 -9.214 7.667 1.00 0.65 H new ATOM 0 HG3 PRO A 62 -0.209 -8.310 6.353 1.00 0.65 H new ATOM 0 HD2 PRO A 62 1.618 -10.268 5.847 1.00 0.64 H new ATOM 0 HD3 PRO A 62 1.535 -8.838 4.837 1.00 0.64 H new ATOM 468 N GLU A 63 3.144 -9.658 8.926 1.00 1.12 N ATOM 469 CA GLU A 63 3.450 -10.399 10.158 1.00 1.42 C ATOM 470 C GLU A 63 4.921 -10.848 10.240 1.00 1.57 C ATOM 471 O GLU A 63 5.452 -11.060 11.334 1.00 1.70 O ATOM 472 CB GLU A 63 2.465 -11.579 10.277 1.00 1.61 C ATOM 473 CG GLU A 63 2.579 -12.629 9.159 1.00 1.82 C ATOM 474 CD GLU A 63 1.412 -13.621 9.224 1.00 3.05 C ATOM 475 OE1 GLU A 63 1.500 -14.638 9.951 1.00 3.86 O ATOM 476 OE2 GLU A 63 0.386 -13.385 8.542 1.00 4.08 O ATOM 0 H GLU A 63 2.815 -10.267 8.177 1.00 1.12 H new ATOM 0 HA GLU A 63 3.320 -9.733 11.011 1.00 1.42 H new ATOM 0 HB2 GLU A 63 2.624 -12.071 11.236 1.00 1.61 H new ATOM 0 HB3 GLU A 63 1.448 -11.186 10.285 1.00 1.61 H new ATOM 0 HG2 GLU A 63 2.588 -12.134 8.188 1.00 1.82 H new ATOM 0 HG3 GLU A 63 3.524 -13.165 9.252 1.00 1.82 H new ATOM 483 N GLN A 64 5.601 -10.957 9.093 1.00 1.59 N ATOM 484 CA GLN A 64 7.037 -11.162 8.967 1.00 1.64 C ATOM 485 C GLN A 64 7.619 -10.083 8.027 1.00 1.72 C ATOM 486 O GLN A 64 7.899 -10.369 6.856 1.00 1.73 O ATOM 487 CB GLN A 64 7.306 -12.572 8.461 1.00 1.75 C ATOM 488 CG GLN A 64 6.905 -13.694 9.429 1.00 1.88 C ATOM 489 CD GLN A 64 6.895 -15.054 8.739 1.00 2.22 C ATOM 490 OE1 GLN A 64 7.791 -15.423 7.989 1.00 2.53 O ATOM 491 NE2 GLN A 64 5.846 -15.829 8.901 1.00 2.83 N ATOM 0 H GLN A 64 5.136 -10.901 8.187 1.00 1.59 H new ATOM 0 HA GLN A 64 7.528 -11.063 9.935 1.00 1.64 H new ATOM 0 HB2 GLN A 64 6.771 -12.714 7.522 1.00 1.75 H new ATOM 0 HB3 GLN A 64 8.369 -12.666 8.239 1.00 1.75 H new ATOM 0 HG2 GLN A 64 7.600 -13.716 10.269 1.00 1.88 H new ATOM 0 HG3 GLN A 64 5.917 -13.486 9.839 1.00 1.88 H new ATOM 0 HE21 GLN A 64 5.089 -15.540 9.521 1.00 2.83 H new ATOM 0 HE22 GLN A 64 5.789 -16.719 8.407 1.00 2.83 H new ATOM 500 N PRO A 65 7.769 -8.830 8.498 1.00 2.19 N ATOM 501 CA PRO A 65 8.244 -7.711 7.686 1.00 2.38 C ATOM 502 C PRO A 65 9.652 -8.005 7.154 1.00 2.00 C ATOM 503 O PRO A 65 10.604 -8.148 7.929 1.00 2.38 O ATOM 504 CB PRO A 65 8.186 -6.486 8.607 1.00 3.03 C ATOM 505 CG PRO A 65 8.260 -7.070 10.019 1.00 3.24 C ATOM 506 CD PRO A 65 7.553 -8.415 9.875 1.00 2.77 C ATOM 0 HA PRO A 65 7.635 -7.537 6.799 1.00 2.38 H new ATOM 0 HB2 PRO A 65 9.015 -5.804 8.415 1.00 3.03 H new ATOM 0 HB3 PRO A 65 7.266 -5.920 8.458 1.00 3.03 H new ATOM 0 HG2 PRO A 65 9.291 -7.190 10.352 1.00 3.24 H new ATOM 0 HG3 PRO A 65 7.763 -6.429 10.747 1.00 3.24 H new ATOM 0 HD2 PRO A 65 7.960 -9.147 10.573 1.00 2.77 H new ATOM 0 HD3 PRO A 65 6.489 -8.323 10.094 1.00 2.77 H new ATOM 514 N GLN A 66 9.774 -8.147 5.827 1.00 1.40 N ATOM 515 CA GLN A 66 10.955 -8.721 5.172 1.00 1.20 C ATOM 516 C GLN A 66 12.240 -7.944 5.514 1.00 1.62 C ATOM 517 O GLN A 66 13.286 -8.502 5.848 1.00 2.09 O ATOM 518 CB GLN A 66 10.753 -8.789 3.653 1.00 0.84 C ATOM 519 CG GLN A 66 11.236 -7.622 2.780 1.00 1.49 C ATOM 520 CD GLN A 66 10.323 -6.407 2.773 1.00 1.00 C ATOM 521 OE1 GLN A 66 10.681 -5.288 3.105 1.00 2.46 O ATOM 522 NE2 GLN A 66 9.122 -6.583 2.300 1.00 1.96 N ATOM 0 H GLN A 66 9.046 -7.863 5.171 1.00 1.40 H new ATOM 0 HA GLN A 66 11.077 -9.734 5.555 1.00 1.20 H new ATOM 0 HB2 GLN A 66 11.248 -9.692 3.296 1.00 0.84 H new ATOM 0 HB3 GLN A 66 9.686 -8.916 3.469 1.00 0.84 H new ATOM 0 HG2 GLN A 66 12.223 -7.314 3.124 1.00 1.49 H new ATOM 0 HG3 GLN A 66 11.352 -7.977 1.756 1.00 1.49 H new ATOM 0 HE21 GLN A 66 8.815 -7.515 2.020 1.00 1.96 H new ATOM 0 HE22 GLN A 66 8.488 -5.789 2.209 1.00 1.96 H new ATOM 531 N CYS A 67 12.121 -6.623 5.381 1.00 1.53 N ATOM 532 CA CYS A 67 13.152 -5.597 5.401 1.00 1.77 C ATOM 533 C CYS A 67 12.485 -4.285 5.886 1.00 1.84 C ATOM 534 O CYS A 67 11.253 -4.168 5.826 1.00 2.30 O ATOM 535 CB CYS A 67 13.777 -5.457 3.985 1.00 1.69 C ATOM 536 SG CYS A 67 15.169 -4.293 4.001 1.00 2.28 S ATOM 0 H CYS A 67 11.200 -6.206 5.242 1.00 1.53 H new ATOM 0 HA CYS A 67 13.967 -5.853 6.078 1.00 1.77 H new ATOM 0 HB2 CYS A 67 14.117 -6.432 3.636 1.00 1.69 H new ATOM 0 HB3 CYS A 67 13.019 -5.113 3.281 1.00 1.69 H new ATOM 0 HG CYS A 67 15.670 -4.200 2.805 1.00 2.28 H new ATOM 542 N GLY A 68 13.266 -3.294 6.330 1.00 1.98 N ATOM 543 CA GLY A 68 12.826 -2.008 6.902 1.00 2.10 C ATOM 544 C GLY A 68 11.538 -1.414 6.324 1.00 1.99 C ATOM 545 O GLY A 68 10.603 -1.081 7.057 1.00 3.59 O ATOM 0 H GLY A 68 14.283 -3.368 6.300 1.00 1.98 H new ATOM 0 HA2 GLY A 68 12.691 -2.139 7.976 1.00 2.10 H new ATOM 0 HA3 GLY A 68 13.628 -1.282 6.768 1.00 2.10 H new ATOM 549 N PHE A 69 11.453 -1.329 4.995 1.00 0.98 N ATOM 550 CA PHE A 69 10.359 -0.646 4.306 1.00 0.89 C ATOM 551 C PHE A 69 8.999 -1.325 4.463 1.00 0.75 C ATOM 552 O PHE A 69 7.986 -0.628 4.503 1.00 0.72 O ATOM 553 CB PHE A 69 10.721 -0.467 2.830 1.00 1.60 C ATOM 554 CG PHE A 69 11.583 0.757 2.607 1.00 0.78 C ATOM 555 CD1 PHE A 69 12.804 0.939 3.283 1.00 2.23 C ATOM 556 CD2 PHE A 69 11.061 1.801 1.835 1.00 1.79 C ATOM 557 CE1 PHE A 69 13.450 2.182 3.248 1.00 2.57 C ATOM 558 CE2 PHE A 69 11.690 3.051 1.800 1.00 2.12 C ATOM 559 CZ PHE A 69 12.889 3.248 2.516 1.00 1.86 C ATOM 0 H PHE A 69 12.145 -1.734 4.365 1.00 0.98 H new ATOM 0 HA PHE A 69 10.243 0.327 4.784 1.00 0.89 H new ATOM 0 HB2 PHE A 69 11.248 -1.352 2.475 1.00 1.60 H new ATOM 0 HB3 PHE A 69 9.809 -0.381 2.240 1.00 1.60 H new ATOM 0 HD1 PHE A 69 13.244 0.118 3.830 1.00 2.23 H new ATOM 0 HD2 PHE A 69 10.162 1.640 1.259 1.00 1.79 H new ATOM 0 HE1 PHE A 69 14.378 2.323 3.782 1.00 2.57 H new ATOM 0 HE2 PHE A 69 11.260 3.860 1.228 1.00 2.12 H new ATOM 0 HZ PHE A 69 13.376 4.212 2.503 1.00 1.86 H new ATOM 569 N SER A 70 8.949 -2.653 4.609 1.00 0.78 N ATOM 570 CA SER A 70 7.676 -3.346 4.856 1.00 0.70 C ATOM 571 C SER A 70 7.073 -3.045 6.223 1.00 0.54 C ATOM 572 O SER A 70 5.857 -3.073 6.371 1.00 0.61 O ATOM 573 CB SER A 70 7.814 -4.856 4.747 1.00 0.93 C ATOM 574 OG SER A 70 8.826 -5.367 5.592 1.00 1.76 O ATOM 0 H SER A 70 9.763 -3.265 4.562 1.00 0.78 H new ATOM 0 HA SER A 70 7.014 -2.963 4.080 1.00 0.70 H new ATOM 0 HB2 SER A 70 6.863 -5.324 5.000 1.00 0.93 H new ATOM 0 HB3 SER A 70 8.037 -5.124 3.714 1.00 0.93 H new ATOM 0 HG SER A 70 9.663 -4.884 5.429 1.00 1.76 H new ATOM 580 N ASN A 71 7.895 -2.733 7.222 1.00 0.53 N ATOM 581 CA ASN A 71 7.406 -2.327 8.533 1.00 0.57 C ATOM 582 C ASN A 71 7.060 -0.840 8.542 1.00 0.61 C ATOM 583 O ASN A 71 6.049 -0.473 9.119 1.00 0.66 O ATOM 584 CB ASN A 71 8.515 -2.649 9.547 1.00 0.72 C ATOM 585 CG ASN A 71 8.064 -2.600 10.996 1.00 1.61 C ATOM 586 OD1 ASN A 71 7.446 -3.524 11.512 1.00 2.71 O ATOM 587 ND2 ASN A 71 8.370 -1.539 11.700 1.00 2.27 N ATOM 0 H ASN A 71 8.912 -2.755 7.145 1.00 0.53 H new ATOM 0 HA ASN A 71 6.492 -2.862 8.791 1.00 0.57 H new ATOM 0 HB2 ASN A 71 8.910 -3.642 9.334 1.00 0.72 H new ATOM 0 HB3 ASN A 71 9.335 -1.944 9.409 1.00 0.72 H new ATOM 0 HD21 ASN A 71 8.094 -1.480 12.680 1.00 2.27 H new ATOM 0 HD22 ASN A 71 8.884 -0.771 11.268 1.00 2.27 H new ATOM 594 N ALA A 72 7.821 -0.003 7.836 1.00 0.65 N ATOM 595 CA ALA A 72 7.567 1.440 7.746 1.00 0.73 C ATOM 596 C ALA A 72 6.151 1.766 7.256 1.00 0.65 C ATOM 597 O ALA A 72 5.466 2.621 7.822 1.00 0.73 O ATOM 598 CB ALA A 72 8.635 2.060 6.840 1.00 0.84 C ATOM 0 H ALA A 72 8.638 -0.307 7.306 1.00 0.65 H new ATOM 0 HA ALA A 72 7.629 1.870 8.746 1.00 0.73 H new ATOM 0 HB1 ALA A 72 8.465 3.134 6.759 1.00 0.84 H new ATOM 0 HB2 ALA A 72 9.622 1.880 7.266 1.00 0.84 H new ATOM 0 HB3 ALA A 72 8.579 1.608 5.850 1.00 0.84 H new ATOM 604 N VAL A 73 5.676 1.035 6.248 1.00 0.55 N ATOM 605 CA VAL A 73 4.339 1.167 5.703 1.00 0.53 C ATOM 606 C VAL A 73 3.251 0.579 6.604 1.00 0.51 C ATOM 607 O VAL A 73 2.183 1.170 6.757 1.00 0.52 O ATOM 608 CB VAL A 73 4.328 0.552 4.296 1.00 0.55 C ATOM 609 CG1 VAL A 73 5.225 1.350 3.340 1.00 0.64 C ATOM 610 CG2 VAL A 73 4.754 -0.904 4.238 1.00 0.49 C ATOM 0 H VAL A 73 6.231 0.318 5.781 1.00 0.55 H new ATOM 0 HA VAL A 73 4.092 2.227 5.644 1.00 0.53 H new ATOM 0 HB VAL A 73 3.283 0.598 3.990 1.00 0.55 H new ATOM 0 HG11 VAL A 73 5.199 0.893 2.351 1.00 0.64 H new ATOM 0 HG12 VAL A 73 4.865 2.377 3.275 1.00 0.64 H new ATOM 0 HG13 VAL A 73 6.249 1.347 3.714 1.00 0.64 H new ATOM 0 HG21 VAL A 73 4.716 -1.253 3.206 1.00 0.49 H new ATOM 0 HG22 VAL A 73 5.772 -1.001 4.616 1.00 0.49 H new ATOM 0 HG23 VAL A 73 4.081 -1.505 4.850 1.00 0.49 H new ATOM 620 N VAL A 74 3.532 -0.556 7.248 1.00 0.50 N ATOM 621 CA VAL A 74 2.581 -1.260 8.125 1.00 0.50 C ATOM 622 C VAL A 74 2.450 -0.586 9.494 1.00 0.53 C ATOM 623 O VAL A 74 1.349 -0.557 10.039 1.00 0.54 O ATOM 624 CB VAL A 74 2.915 -2.759 8.202 1.00 0.47 C ATOM 625 CG1 VAL A 74 1.993 -3.542 9.142 1.00 0.50 C ATOM 626 CG2 VAL A 74 2.772 -3.366 6.798 1.00 0.56 C ATOM 0 H VAL A 74 4.437 -1.022 7.177 1.00 0.50 H new ATOM 0 HA VAL A 74 1.589 -1.188 7.680 1.00 0.50 H new ATOM 0 HB VAL A 74 3.930 -2.835 8.592 1.00 0.47 H new ATOM 0 HG11 VAL A 74 2.286 -4.592 9.148 1.00 0.50 H new ATOM 0 HG12 VAL A 74 2.074 -3.137 10.151 1.00 0.50 H new ATOM 0 HG13 VAL A 74 0.963 -3.455 8.797 1.00 0.50 H new ATOM 0 HG21 VAL A 74 3.006 -4.430 6.836 1.00 0.56 H new ATOM 0 HG22 VAL A 74 1.749 -3.232 6.446 1.00 0.56 H new ATOM 0 HG23 VAL A 74 3.459 -2.868 6.114 1.00 0.56 H new ATOM 636 N GLN A 75 3.512 0.055 9.992 1.00 0.55 N ATOM 637 CA GLN A 75 3.481 0.989 11.117 1.00 0.61 C ATOM 638 C GLN A 75 2.533 2.148 10.821 1.00 0.55 C ATOM 639 O GLN A 75 1.630 2.396 11.609 1.00 0.58 O ATOM 640 CB GLN A 75 4.885 1.521 11.454 1.00 0.73 C ATOM 641 CG GLN A 75 5.724 0.506 12.246 1.00 0.79 C ATOM 642 CD GLN A 75 5.203 0.244 13.659 1.00 1.19 C ATOM 643 OE1 GLN A 75 4.886 1.143 14.432 1.00 2.34 O ATOM 644 NE2 GLN A 75 5.088 -1.001 14.054 1.00 0.89 N ATOM 0 H GLN A 75 4.449 -0.068 9.608 1.00 0.55 H new ATOM 0 HA GLN A 75 3.116 0.444 11.987 1.00 0.61 H new ATOM 0 HB2 GLN A 75 5.405 1.775 10.530 1.00 0.73 H new ATOM 0 HB3 GLN A 75 4.793 2.441 12.032 1.00 0.73 H new ATOM 0 HG2 GLN A 75 5.750 -0.436 11.698 1.00 0.79 H new ATOM 0 HG3 GLN A 75 6.751 0.867 12.308 1.00 0.79 H new ATOM 0 HE21 GLN A 75 5.347 -1.761 13.425 1.00 0.89 H new ATOM 0 HE22 GLN A 75 4.740 -1.209 14.990 1.00 0.89 H new ATOM 653 N ILE A 76 2.652 2.818 9.670 1.00 0.49 N ATOM 654 CA ILE A 76 1.750 3.939 9.345 1.00 0.44 C ATOM 655 C ILE A 76 0.288 3.469 9.301 1.00 0.40 C ATOM 656 O ILE A 76 -0.585 4.130 9.863 1.00 0.41 O ATOM 657 CB ILE A 76 2.216 4.637 8.049 1.00 0.41 C ATOM 658 CG1 ILE A 76 3.510 5.418 8.362 1.00 0.49 C ATOM 659 CG2 ILE A 76 1.148 5.590 7.479 1.00 0.39 C ATOM 660 CD1 ILE A 76 4.253 5.888 7.113 1.00 0.50 C ATOM 0 H ILE A 76 3.350 2.612 8.955 1.00 0.49 H new ATOM 0 HA ILE A 76 1.797 4.688 10.135 1.00 0.44 H new ATOM 0 HB ILE A 76 2.393 3.876 7.289 1.00 0.41 H new ATOM 0 HG12 ILE A 76 3.263 6.284 8.976 1.00 0.49 H new ATOM 0 HG13 ILE A 76 4.173 4.786 8.954 1.00 0.49 H new ATOM 0 HG21 ILE A 76 1.525 6.056 6.568 1.00 0.39 H new ATOM 0 HG22 ILE A 76 0.243 5.027 7.251 1.00 0.39 H new ATOM 0 HG23 ILE A 76 0.920 6.362 8.214 1.00 0.39 H new ATOM 0 HD11 ILE A 76 5.152 6.430 7.407 1.00 0.50 H new ATOM 0 HD12 ILE A 76 4.531 5.025 6.508 1.00 0.50 H new ATOM 0 HD13 ILE A 76 3.607 6.546 6.531 1.00 0.50 H new ATOM 672 N LEU A 77 0.023 2.299 8.717 1.00 0.38 N ATOM 673 CA LEU A 77 -1.317 1.702 8.687 1.00 0.39 C ATOM 674 C LEU A 77 -1.869 1.387 10.089 1.00 0.47 C ATOM 675 O LEU A 77 -2.903 1.943 10.464 1.00 0.49 O ATOM 676 CB LEU A 77 -1.306 0.486 7.744 1.00 0.40 C ATOM 677 CG LEU A 77 -1.261 0.916 6.265 1.00 0.34 C ATOM 678 CD1 LEU A 77 -0.830 -0.243 5.370 1.00 0.41 C ATOM 679 CD2 LEU A 77 -2.638 1.400 5.800 1.00 0.36 C ATOM 0 H LEU A 77 0.733 1.735 8.249 1.00 0.38 H new ATOM 0 HA LEU A 77 -2.018 2.436 8.290 1.00 0.39 H new ATOM 0 HB2 LEU A 77 -0.443 -0.141 7.968 1.00 0.40 H new ATOM 0 HB3 LEU A 77 -2.195 -0.120 7.920 1.00 0.40 H new ATOM 0 HG LEU A 77 -0.536 1.727 6.187 1.00 0.34 H new ATOM 0 HD11 LEU A 77 -0.807 0.088 4.332 1.00 0.41 H new ATOM 0 HD12 LEU A 77 0.163 -0.581 5.665 1.00 0.41 H new ATOM 0 HD13 LEU A 77 -1.538 -1.065 5.473 1.00 0.41 H new ATOM 0 HD21 LEU A 77 -2.584 1.699 4.753 1.00 0.36 H new ATOM 0 HD22 LEU A 77 -3.363 0.594 5.910 1.00 0.36 H new ATOM 0 HD23 LEU A 77 -2.948 2.252 6.405 1.00 0.36 H new ATOM 691 N ARG A 78 -1.184 0.571 10.902 1.00 0.51 N ATOM 692 CA ARG A 78 -1.595 0.227 12.262 1.00 0.63 C ATOM 693 C ARG A 78 -1.650 1.412 13.236 1.00 0.69 C ATOM 694 O ARG A 78 -2.527 1.423 14.098 1.00 0.78 O ATOM 695 CB ARG A 78 -0.681 -0.911 12.734 1.00 0.71 C ATOM 696 CG ARG A 78 0.709 -0.466 13.214 1.00 0.87 C ATOM 697 CD ARG A 78 1.685 -1.635 13.404 1.00 1.20 C ATOM 698 NE ARG A 78 1.313 -2.518 14.521 1.00 1.50 N ATOM 699 CZ ARG A 78 1.982 -3.558 14.984 1.00 2.34 C ATOM 700 NH1 ARG A 78 3.118 -3.966 14.497 1.00 3.24 N ATOM 701 NH2 ARG A 78 1.478 -4.230 15.972 1.00 3.15 N ATOM 0 H ARG A 78 -0.311 0.124 10.622 1.00 0.51 H new ATOM 0 HA ARG A 78 -2.634 -0.101 12.247 1.00 0.63 H new ATOM 0 HB2 ARG A 78 -1.177 -1.443 13.546 1.00 0.71 H new ATOM 0 HB3 ARG A 78 -0.557 -1.621 11.916 1.00 0.71 H new ATOM 0 HG2 ARG A 78 1.128 0.235 12.493 1.00 0.87 H new ATOM 0 HG3 ARG A 78 0.606 0.070 14.157 1.00 0.87 H new ATOM 0 HD2 ARG A 78 1.727 -2.219 12.485 1.00 1.20 H new ATOM 0 HD3 ARG A 78 2.686 -1.241 13.577 1.00 1.20 H new ATOM 0 HE ARG A 78 0.435 -2.301 14.993 1.00 1.50 H new ATOM 0 HH11 ARG A 78 3.542 -3.474 13.711 1.00 3.24 H new ATOM 0 HH12 ARG A 78 3.584 -4.778 14.902 1.00 3.24 H new ATOM 0 HH21 ARG A 78 0.583 -3.951 16.374 1.00 3.15 H new ATOM 0 HH22 ARG A 78 1.976 -5.037 16.347 1.00 3.15 H new ATOM 715 N LEU A 79 -0.816 2.446 13.074 1.00 0.65 N ATOM 716 CA LEU A 79 -0.906 3.708 13.818 1.00 0.68 C ATOM 717 C LEU A 79 -2.217 4.440 13.519 1.00 0.62 C ATOM 718 O LEU A 79 -2.852 4.962 14.434 1.00 0.69 O ATOM 719 CB LEU A 79 0.273 4.608 13.420 1.00 0.65 C ATOM 720 CG LEU A 79 1.624 4.222 14.042 1.00 0.76 C ATOM 721 CD1 LEU A 79 2.725 5.017 13.333 1.00 0.75 C ATOM 722 CD2 LEU A 79 1.675 4.567 15.529 1.00 0.92 C ATOM 0 H LEU A 79 -0.044 2.428 12.408 1.00 0.65 H new ATOM 0 HA LEU A 79 -0.876 3.481 14.884 1.00 0.68 H new ATOM 0 HB2 LEU A 79 0.372 4.592 12.335 1.00 0.65 H new ATOM 0 HB3 LEU A 79 0.039 5.634 13.704 1.00 0.65 H new ATOM 0 HG LEU A 79 1.761 3.147 13.928 1.00 0.76 H new ATOM 0 HD11 LEU A 79 3.694 4.757 13.760 1.00 0.75 H new ATOM 0 HD12 LEU A 79 2.721 4.776 12.270 1.00 0.75 H new ATOM 0 HD13 LEU A 79 2.545 6.084 13.464 1.00 0.75 H new ATOM 0 HD21 LEU A 79 2.645 4.280 15.936 1.00 0.92 H new ATOM 0 HD22 LEU A 79 1.530 5.639 15.659 1.00 0.92 H new ATOM 0 HD23 LEU A 79 0.887 4.028 16.055 1.00 0.92 H new ATOM 734 N HIS A 80 -2.655 4.419 12.258 1.00 0.53 N ATOM 735 CA HIS A 80 -3.975 4.872 11.828 1.00 0.49 C ATOM 736 C HIS A 80 -5.107 3.865 12.134 1.00 0.58 C ATOM 737 O HIS A 80 -6.255 4.125 11.779 1.00 0.59 O ATOM 738 CB HIS A 80 -3.903 5.259 10.341 1.00 0.41 C ATOM 739 CG HIS A 80 -3.312 6.628 10.116 1.00 0.39 C ATOM 740 ND1 HIS A 80 -3.934 7.809 10.425 1.00 0.44 N ATOM 741 CD2 HIS A 80 -2.111 6.954 9.542 1.00 0.33 C ATOM 742 CE1 HIS A 80 -3.160 8.821 10.026 1.00 0.38 C ATOM 743 NE2 HIS A 80 -2.027 8.354 9.465 1.00 0.33 N ATOM 0 H HIS A 80 -2.082 4.076 11.487 1.00 0.53 H new ATOM 0 HA HIS A 80 -4.245 5.750 12.415 1.00 0.49 H new ATOM 0 HB2 HIS A 80 -3.306 4.519 9.807 1.00 0.41 H new ATOM 0 HB3 HIS A 80 -4.905 5.228 9.914 1.00 0.41 H new ATOM 0 HD2 HIS A 80 -1.359 6.255 9.207 1.00 0.33 H new ATOM 0 HE1 HIS A 80 -3.407 9.866 10.137 1.00 0.38 H new ATOM 0 HE2 HIS A 80 -1.266 8.904 9.067 1.00 0.33 H new ATOM 751 N GLY A 81 -4.834 2.750 12.820 1.00 0.67 N ATOM 752 CA GLY A 81 -5.832 1.749 13.220 1.00 0.80 C ATOM 753 C GLY A 81 -6.123 0.672 12.168 1.00 0.79 C ATOM 754 O GLY A 81 -6.993 -0.173 12.381 1.00 1.00 O ATOM 0 H GLY A 81 -3.889 2.512 13.121 1.00 0.67 H new ATOM 0 HA2 GLY A 81 -5.491 1.262 14.133 1.00 0.80 H new ATOM 0 HA3 GLY A 81 -6.763 2.262 13.461 1.00 0.80 H new ATOM 758 N VAL A 82 -5.426 0.689 11.029 1.00 0.61 N ATOM 759 CA VAL A 82 -5.729 -0.158 9.869 1.00 0.58 C ATOM 760 C VAL A 82 -4.898 -1.437 9.890 1.00 0.56 C ATOM 761 O VAL A 82 -3.671 -1.413 9.815 1.00 0.57 O ATOM 762 CB VAL A 82 -5.540 0.610 8.543 1.00 0.54 C ATOM 763 CG1 VAL A 82 -6.038 -0.223 7.351 1.00 0.53 C ATOM 764 CG2 VAL A 82 -6.305 1.941 8.518 1.00 0.58 C ATOM 0 H VAL A 82 -4.623 1.300 10.883 1.00 0.61 H new ATOM 0 HA VAL A 82 -6.779 -0.442 9.935 1.00 0.58 H new ATOM 0 HB VAL A 82 -4.470 0.805 8.467 1.00 0.54 H new ATOM 0 HG11 VAL A 82 -5.894 0.340 6.429 1.00 0.53 H new ATOM 0 HG12 VAL A 82 -5.476 -1.156 7.299 1.00 0.53 H new ATOM 0 HG13 VAL A 82 -7.097 -0.445 7.479 1.00 0.53 H new ATOM 0 HG21 VAL A 82 -6.137 2.439 7.563 1.00 0.58 H new ATOM 0 HG22 VAL A 82 -7.371 1.751 8.645 1.00 0.58 H new ATOM 0 HG23 VAL A 82 -5.951 2.579 9.328 1.00 0.58 H new ATOM 774 N ARG A 83 -5.607 -2.567 9.885 1.00 0.55 N ATOM 775 CA ARG A 83 -5.127 -3.934 9.658 1.00 0.44 C ATOM 776 C ARG A 83 -5.853 -4.588 8.477 1.00 0.44 C ATOM 777 O ARG A 83 -5.623 -5.737 8.123 1.00 0.58 O ATOM 778 CB ARG A 83 -5.258 -4.735 10.953 1.00 0.61 C ATOM 779 CG ARG A 83 -6.686 -4.816 11.491 1.00 0.82 C ATOM 780 CD ARG A 83 -6.957 -3.724 12.525 1.00 1.91 C ATOM 781 NE ARG A 83 -8.041 -4.095 13.445 1.00 2.39 N ATOM 782 CZ ARG A 83 -9.340 -4.080 13.238 1.00 2.98 C ATOM 783 NH1 ARG A 83 -9.910 -3.716 12.126 1.00 3.53 N ATOM 784 NH2 ARG A 83 -10.118 -4.465 14.198 1.00 3.62 N ATOM 0 H ARG A 83 -6.613 -2.550 10.053 1.00 0.55 H new ATOM 0 HA ARG A 83 -4.073 -3.912 9.383 1.00 0.44 H new ATOM 0 HB2 ARG A 83 -4.887 -5.746 10.782 1.00 0.61 H new ATOM 0 HB3 ARG A 83 -4.619 -4.285 11.713 1.00 0.61 H new ATOM 0 HG2 ARG A 83 -7.393 -4.721 10.666 1.00 0.82 H new ATOM 0 HG3 ARG A 83 -6.851 -5.795 11.942 1.00 0.82 H new ATOM 0 HD2 ARG A 83 -6.048 -3.530 13.095 1.00 1.91 H new ATOM 0 HD3 ARG A 83 -7.216 -2.797 12.014 1.00 1.91 H new ATOM 0 HE ARG A 83 -7.746 -4.407 14.370 1.00 2.39 H new ATOM 0 HH11 ARG A 83 -9.340 -3.414 11.336 1.00 3.53 H new ATOM 0 HH12 ARG A 83 -10.927 -3.733 12.045 1.00 3.53 H new ATOM 0 HH21 ARG A 83 -9.720 -4.769 15.086 1.00 3.62 H new ATOM 0 HH22 ARG A 83 -11.129 -4.464 14.066 1.00 3.62 H new ATOM 798 N ASP A 84 -6.755 -3.811 7.890 1.00 0.67 N ATOM 799 CA ASP A 84 -7.804 -4.184 6.950 1.00 0.88 C ATOM 800 C ASP A 84 -7.376 -3.974 5.492 1.00 0.80 C ATOM 801 O ASP A 84 -8.204 -3.934 4.576 1.00 0.94 O ATOM 802 CB ASP A 84 -9.071 -3.398 7.327 1.00 1.33 C ATOM 803 CG ASP A 84 -9.377 -3.471 8.827 1.00 2.55 C ATOM 804 OD1 ASP A 84 -8.760 -2.708 9.617 1.00 4.02 O ATOM 805 OD2 ASP A 84 -10.207 -4.319 9.222 1.00 3.12 O ATOM 0 H ASP A 84 -6.772 -2.809 8.078 1.00 0.67 H new ATOM 0 HA ASP A 84 -8.011 -5.252 7.021 1.00 0.88 H new ATOM 0 HB2 ASP A 84 -8.949 -2.355 7.034 1.00 1.33 H new ATOM 0 HB3 ASP A 84 -9.919 -3.790 6.766 1.00 1.33 H new ATOM 810 N TYR A 85 -6.061 -3.856 5.288 1.00 0.62 N ATOM 811 CA TYR A 85 -5.430 -4.048 3.998 1.00 0.51 C ATOM 812 C TYR A 85 -5.391 -5.535 3.611 1.00 0.52 C ATOM 813 O TYR A 85 -5.465 -6.441 4.449 1.00 0.61 O ATOM 814 CB TYR A 85 -3.987 -3.478 3.984 1.00 0.47 C ATOM 815 CG TYR A 85 -3.119 -3.871 5.157 1.00 0.51 C ATOM 816 CD1 TYR A 85 -3.053 -3.122 6.356 1.00 1.99 C ATOM 817 CD2 TYR A 85 -2.409 -5.068 5.033 1.00 1.50 C ATOM 818 CE1 TYR A 85 -2.337 -3.629 7.459 1.00 2.02 C ATOM 819 CE2 TYR A 85 -1.709 -5.579 6.138 1.00 1.49 C ATOM 820 CZ TYR A 85 -1.707 -4.888 7.365 1.00 0.57 C ATOM 821 OH TYR A 85 -1.137 -5.477 8.449 1.00 0.59 O ATOM 0 H TYR A 85 -5.403 -3.621 6.031 1.00 0.62 H new ATOM 0 HA TYR A 85 -6.032 -3.506 3.269 1.00 0.51 H new ATOM 0 HB2 TYR A 85 -3.496 -3.803 3.067 1.00 0.47 H new ATOM 0 HB3 TYR A 85 -4.045 -2.390 3.946 1.00 0.47 H new ATOM 0 HD1 TYR A 85 -3.549 -2.165 6.425 1.00 1.99 H new ATOM 0 HD2 TYR A 85 -2.399 -5.598 4.092 1.00 1.50 H new ATOM 0 HE1 TYR A 85 -2.271 -3.056 8.372 1.00 2.02 H new ATOM 0 HE2 TYR A 85 -1.168 -6.509 6.046 1.00 1.49 H new ATOM 0 HH TYR A 85 -1.188 -6.451 8.356 1.00 0.59 H new ATOM 831 N ALA A 86 -5.171 -5.758 2.319 1.00 0.47 N ATOM 832 CA ALA A 86 -4.663 -7.009 1.772 1.00 0.46 C ATOM 833 C ALA A 86 -3.197 -6.778 1.388 1.00 0.37 C ATOM 834 O ALA A 86 -2.912 -5.929 0.541 1.00 0.36 O ATOM 835 CB ALA A 86 -5.546 -7.426 0.591 1.00 0.52 C ATOM 0 H ALA A 86 -5.347 -5.052 1.604 1.00 0.47 H new ATOM 0 HA ALA A 86 -4.698 -7.829 2.490 1.00 0.46 H new ATOM 0 HB1 ALA A 86 -5.176 -8.362 0.172 1.00 0.52 H new ATOM 0 HB2 ALA A 86 -6.572 -7.562 0.934 1.00 0.52 H new ATOM 0 HB3 ALA A 86 -5.520 -6.651 -0.175 1.00 0.52 H new ATOM 841 N ALA A 87 -2.261 -7.451 2.063 1.00 0.33 N ATOM 842 CA ALA A 87 -0.831 -7.213 1.885 1.00 0.33 C ATOM 843 C ALA A 87 -0.247 -8.225 0.862 1.00 0.35 C ATOM 844 O ALA A 87 -0.003 -9.386 1.207 1.00 0.45 O ATOM 845 CB ALA A 87 -0.121 -7.355 3.239 1.00 0.38 C ATOM 0 H ALA A 87 -2.476 -8.176 2.748 1.00 0.33 H new ATOM 0 HA ALA A 87 -0.675 -6.205 1.502 1.00 0.33 H new ATOM 0 HB1 ALA A 87 0.947 -7.178 3.110 1.00 0.38 H new ATOM 0 HB2 ALA A 87 -0.527 -6.627 3.941 1.00 0.38 H new ATOM 0 HB3 ALA A 87 -0.278 -8.361 3.628 1.00 0.38 H new ATOM 851 N TYR A 88 -0.021 -7.816 -0.385 1.00 0.31 N ATOM 852 CA TYR A 88 0.492 -8.651 -1.477 1.00 0.35 C ATOM 853 C TYR A 88 1.999 -8.879 -1.384 1.00 0.34 C ATOM 854 O TYR A 88 2.792 -7.931 -1.397 1.00 0.38 O ATOM 855 CB TYR A 88 0.126 -8.067 -2.856 1.00 0.39 C ATOM 856 CG TYR A 88 -1.318 -8.311 -3.271 1.00 0.48 C ATOM 857 CD1 TYR A 88 -2.388 -7.760 -2.533 1.00 1.88 C ATOM 858 CD2 TYR A 88 -1.592 -9.107 -4.397 1.00 1.78 C ATOM 859 CE1 TYR A 88 -3.720 -8.089 -2.860 1.00 1.93 C ATOM 860 CE2 TYR A 88 -2.919 -9.400 -4.756 1.00 1.86 C ATOM 861 CZ TYR A 88 -3.982 -8.937 -3.956 1.00 0.84 C ATOM 862 OH TYR A 88 -5.244 -9.369 -4.210 1.00 1.09 O ATOM 0 H TYR A 88 -0.197 -6.855 -0.677 1.00 0.31 H new ATOM 0 HA TYR A 88 0.006 -9.621 -1.368 1.00 0.35 H new ATOM 0 HB2 TYR A 88 0.313 -6.993 -2.845 1.00 0.39 H new ATOM 0 HB3 TYR A 88 0.787 -8.498 -3.608 1.00 0.39 H new ATOM 0 HD1 TYR A 88 -2.186 -7.084 -1.715 1.00 1.88 H new ATOM 0 HD2 TYR A 88 -0.777 -9.496 -4.990 1.00 1.78 H new ATOM 0 HE1 TYR A 88 -4.536 -7.693 -2.273 1.00 1.93 H new ATOM 0 HE2 TYR A 88 -3.123 -9.979 -5.644 1.00 1.86 H new ATOM 0 HH TYR A 88 -5.239 -9.944 -5.004 1.00 1.09 H new ATOM 872 N ASN A 89 2.371 -10.160 -1.352 1.00 0.39 N ATOM 873 CA ASN A 89 3.715 -10.675 -1.326 1.00 0.47 C ATOM 874 C ASN A 89 4.290 -10.828 -2.738 1.00 0.44 C ATOM 875 O ASN A 89 4.047 -11.828 -3.422 1.00 0.48 O ATOM 876 CB ASN A 89 3.619 -12.026 -0.606 1.00 0.63 C ATOM 877 CG ASN A 89 4.981 -12.595 -0.338 1.00 1.16 C ATOM 878 OD1 ASN A 89 5.483 -13.497 -0.994 1.00 2.27 O ATOM 879 ND2 ASN A 89 5.625 -12.004 0.624 1.00 0.98 N ATOM 0 H ASN A 89 1.679 -10.909 -1.343 1.00 0.39 H new ATOM 0 HA ASN A 89 4.394 -9.994 -0.812 1.00 0.47 H new ATOM 0 HB2 ASN A 89 3.082 -11.903 0.334 1.00 0.63 H new ATOM 0 HB3 ASN A 89 3.043 -12.725 -1.213 1.00 0.63 H new ATOM 0 HD21 ASN A 89 6.578 -12.289 0.851 1.00 0.98 H new ATOM 0 HD22 ASN A 89 5.178 -11.255 1.152 1.00 0.98 H new ATOM 886 N VAL A 90 5.098 -9.860 -3.172 1.00 0.45 N ATOM 887 CA VAL A 90 5.714 -9.923 -4.516 1.00 0.54 C ATOM 888 C VAL A 90 6.979 -10.806 -4.575 1.00 0.70 C ATOM 889 O VAL A 90 7.585 -10.943 -5.636 1.00 0.91 O ATOM 890 CB VAL A 90 5.918 -8.535 -5.151 1.00 0.55 C ATOM 891 CG1 VAL A 90 4.614 -7.730 -5.072 1.00 0.52 C ATOM 892 CG2 VAL A 90 7.042 -7.722 -4.508 1.00 0.59 C ATOM 0 H VAL A 90 5.344 -9.032 -2.630 1.00 0.45 H new ATOM 0 HA VAL A 90 4.981 -10.432 -5.142 1.00 0.54 H new ATOM 0 HB VAL A 90 6.207 -8.716 -6.186 1.00 0.55 H new ATOM 0 HG11 VAL A 90 4.764 -6.749 -5.523 1.00 0.52 H new ATOM 0 HG12 VAL A 90 3.827 -8.259 -5.609 1.00 0.52 H new ATOM 0 HG13 VAL A 90 4.324 -7.609 -4.028 1.00 0.52 H new ATOM 0 HG21 VAL A 90 7.125 -6.757 -5.008 1.00 0.59 H new ATOM 0 HG22 VAL A 90 6.820 -7.565 -3.452 1.00 0.59 H new ATOM 0 HG23 VAL A 90 7.983 -8.263 -4.604 1.00 0.59 H new ATOM 902 N LEU A 91 7.381 -11.432 -3.456 1.00 0.71 N ATOM 903 CA LEU A 91 8.468 -12.429 -3.424 1.00 0.88 C ATOM 904 C LEU A 91 8.079 -13.718 -4.142 1.00 0.75 C ATOM 905 O LEU A 91 8.900 -14.270 -4.873 1.00 0.83 O ATOM 906 CB LEU A 91 8.846 -12.803 -1.976 1.00 1.07 C ATOM 907 CG LEU A 91 9.649 -11.743 -1.225 1.00 1.26 C ATOM 908 CD1 LEU A 91 9.785 -12.135 0.243 1.00 1.42 C ATOM 909 CD2 LEU A 91 11.050 -11.544 -1.792 1.00 1.73 C ATOM 0 H LEU A 91 6.960 -11.261 -2.543 1.00 0.71 H new ATOM 0 HA LEU A 91 9.314 -11.963 -3.930 1.00 0.88 H new ATOM 0 HB2 LEU A 91 7.932 -13.007 -1.419 1.00 1.07 H new ATOM 0 HB3 LEU A 91 9.422 -13.728 -1.994 1.00 1.07 H new ATOM 0 HG LEU A 91 9.100 -10.808 -1.337 1.00 1.26 H new ATOM 0 HD11 LEU A 91 10.359 -11.374 0.771 1.00 1.42 H new ATOM 0 HD12 LEU A 91 8.795 -12.218 0.691 1.00 1.42 H new ATOM 0 HD13 LEU A 91 10.299 -13.093 0.318 1.00 1.42 H new ATOM 0 HD21 LEU A 91 11.570 -10.779 -1.216 1.00 1.73 H new ATOM 0 HD22 LEU A 91 11.603 -12.481 -1.733 1.00 1.73 H new ATOM 0 HD23 LEU A 91 10.980 -11.229 -2.833 1.00 1.73 H new ATOM 921 N ASP A 92 6.853 -14.197 -3.914 1.00 0.78 N ATOM 922 CA ASP A 92 6.401 -15.480 -4.474 1.00 0.86 C ATOM 923 C ASP A 92 6.175 -15.403 -5.982 1.00 0.79 C ATOM 924 O ASP A 92 6.611 -16.273 -6.740 1.00 1.14 O ATOM 925 CB ASP A 92 5.127 -15.969 -3.794 1.00 1.18 C ATOM 926 CG ASP A 92 4.860 -17.446 -4.120 1.00 1.63 C ATOM 927 OD1 ASP A 92 5.711 -18.289 -3.741 1.00 2.74 O ATOM 928 OD2 ASP A 92 3.837 -17.758 -4.779 1.00 2.34 O ATOM 0 H ASP A 92 6.154 -13.718 -3.346 1.00 0.78 H new ATOM 0 HA ASP A 92 7.203 -16.193 -4.283 1.00 0.86 H new ATOM 0 HB2 ASP A 92 5.215 -15.841 -2.715 1.00 1.18 H new ATOM 0 HB3 ASP A 92 4.282 -15.363 -4.119 1.00 1.18 H new ATOM 933 N ASP A 93 5.484 -14.341 -6.391 1.00 0.62 N ATOM 934 CA ASP A 93 5.023 -14.088 -7.744 1.00 0.69 C ATOM 935 C ASP A 93 5.885 -13.016 -8.450 1.00 0.77 C ATOM 936 O ASP A 93 5.612 -11.813 -8.330 1.00 0.68 O ATOM 937 CB ASP A 93 3.553 -13.668 -7.663 1.00 0.91 C ATOM 938 CG ASP A 93 2.606 -14.784 -7.215 1.00 1.14 C ATOM 939 OD1 ASP A 93 2.427 -15.764 -7.981 1.00 1.41 O ATOM 940 OD2 ASP A 93 2.009 -14.683 -6.117 1.00 2.66 O ATOM 0 H ASP A 93 5.219 -13.596 -5.747 1.00 0.62 H new ATOM 0 HA ASP A 93 5.120 -14.992 -8.346 1.00 0.69 H new ATOM 0 HB2 ASP A 93 3.463 -12.831 -6.971 1.00 0.91 H new ATOM 0 HB3 ASP A 93 3.235 -13.308 -8.641 1.00 0.91 H new ATOM 945 N PRO A 94 6.891 -13.402 -9.256 1.00 1.01 N ATOM 946 CA PRO A 94 7.665 -12.440 -10.041 1.00 1.10 C ATOM 947 C PRO A 94 6.829 -11.779 -11.146 1.00 0.90 C ATOM 948 O PRO A 94 7.173 -10.710 -11.647 1.00 0.82 O ATOM 949 CB PRO A 94 8.816 -13.260 -10.602 1.00 1.46 C ATOM 950 CG PRO A 94 8.202 -14.640 -10.816 1.00 1.46 C ATOM 951 CD PRO A 94 7.320 -14.761 -9.572 1.00 1.23 C ATOM 0 HA PRO A 94 8.011 -11.602 -9.437 1.00 1.10 H new ATOM 0 HB2 PRO A 94 9.191 -12.839 -11.535 1.00 1.46 H new ATOM 0 HB3 PRO A 94 9.656 -13.298 -9.909 1.00 1.46 H new ATOM 0 HG2 PRO A 94 7.624 -14.696 -11.739 1.00 1.46 H new ATOM 0 HG3 PRO A 94 8.957 -15.425 -10.865 1.00 1.46 H new ATOM 0 HD2 PRO A 94 6.463 -15.408 -9.761 1.00 1.23 H new ATOM 0 HD3 PRO A 94 7.873 -15.200 -8.741 1.00 1.23 H new ATOM 959 N GLU A 95 5.692 -12.379 -11.491 1.00 0.87 N ATOM 960 CA GLU A 95 4.613 -11.797 -12.264 1.00 0.79 C ATOM 961 C GLU A 95 4.012 -10.558 -11.580 1.00 0.61 C ATOM 962 O GLU A 95 3.846 -9.508 -12.206 1.00 0.59 O ATOM 963 CB GLU A 95 3.552 -12.876 -12.408 1.00 0.93 C ATOM 964 CG GLU A 95 4.039 -14.166 -13.093 1.00 1.16 C ATOM 965 CD GLU A 95 4.607 -13.978 -14.510 1.00 2.12 C ATOM 966 OE1 GLU A 95 4.142 -13.081 -15.254 1.00 3.13 O ATOM 967 OE2 GLU A 95 5.512 -14.737 -14.924 1.00 3.30 O ATOM 0 H GLU A 95 5.494 -13.342 -11.219 1.00 0.87 H new ATOM 0 HA GLU A 95 4.990 -11.463 -13.231 1.00 0.79 H new ATOM 0 HB2 GLU A 95 3.171 -13.127 -11.418 1.00 0.93 H new ATOM 0 HB3 GLU A 95 2.716 -12.471 -12.978 1.00 0.93 H new ATOM 0 HG2 GLU A 95 4.807 -14.623 -12.468 1.00 1.16 H new ATOM 0 HG3 GLU A 95 3.208 -14.869 -13.142 1.00 1.16 H new ATOM 974 N LEU A 96 3.739 -10.652 -10.270 1.00 0.52 N ATOM 975 CA LEU A 96 3.322 -9.501 -9.462 1.00 0.42 C ATOM 976 C LEU A 96 4.455 -8.472 -9.372 1.00 0.43 C ATOM 977 O LEU A 96 4.196 -7.274 -9.473 1.00 0.45 O ATOM 978 CB LEU A 96 2.904 -9.880 -8.023 1.00 0.48 C ATOM 979 CG LEU A 96 1.599 -10.667 -7.811 1.00 0.45 C ATOM 980 CD1 LEU A 96 1.395 -10.881 -6.306 1.00 0.54 C ATOM 981 CD2 LEU A 96 0.380 -9.909 -8.327 1.00 0.71 C ATOM 0 H LEU A 96 3.801 -11.524 -9.745 1.00 0.52 H new ATOM 0 HA LEU A 96 2.451 -9.086 -9.970 1.00 0.42 H new ATOM 0 HB2 LEU A 96 3.715 -10.463 -7.587 1.00 0.48 H new ATOM 0 HB3 LEU A 96 2.830 -8.957 -7.448 1.00 0.48 H new ATOM 0 HG LEU A 96 1.690 -11.606 -8.357 1.00 0.45 H new ATOM 0 HD11 LEU A 96 0.473 -11.438 -6.139 1.00 0.54 H new ATOM 0 HD12 LEU A 96 2.237 -11.443 -5.901 1.00 0.54 H new ATOM 0 HD13 LEU A 96 1.330 -9.914 -5.807 1.00 0.54 H new ATOM 0 HD21 LEU A 96 -0.517 -10.503 -8.156 1.00 0.71 H new ATOM 0 HD22 LEU A 96 0.292 -8.959 -7.800 1.00 0.71 H new ATOM 0 HD23 LEU A 96 0.493 -9.722 -9.395 1.00 0.71 H new ATOM 993 N ARG A 97 5.707 -8.928 -9.205 1.00 0.52 N ATOM 994 CA ARG A 97 6.876 -8.035 -9.090 1.00 0.65 C ATOM 995 C ARG A 97 7.064 -7.179 -10.345 1.00 0.61 C ATOM 996 O ARG A 97 7.116 -5.957 -10.252 1.00 0.61 O ATOM 997 CB ARG A 97 8.141 -8.844 -8.758 1.00 0.91 C ATOM 998 CG ARG A 97 9.232 -7.945 -8.154 1.00 1.23 C ATOM 999 CD ARG A 97 10.555 -8.698 -7.978 1.00 1.53 C ATOM 1000 NE ARG A 97 11.300 -8.800 -9.241 1.00 2.00 N ATOM 1001 CZ ARG A 97 11.480 -9.884 -9.967 1.00 2.51 C ATOM 1002 NH1 ARG A 97 11.029 -11.056 -9.627 1.00 2.34 N ATOM 1003 NH2 ARG A 97 12.122 -9.825 -11.092 1.00 3.69 N ATOM 0 H ARG A 97 5.939 -9.920 -9.146 1.00 0.52 H new ATOM 0 HA ARG A 97 6.691 -7.345 -8.267 1.00 0.65 H new ATOM 0 HB2 ARG A 97 7.893 -9.641 -8.057 1.00 0.91 H new ATOM 0 HB3 ARG A 97 8.519 -9.321 -9.662 1.00 0.91 H new ATOM 0 HG2 ARG A 97 9.389 -7.080 -8.799 1.00 1.23 H new ATOM 0 HG3 ARG A 97 8.898 -7.566 -7.188 1.00 1.23 H new ATOM 0 HD2 ARG A 97 11.168 -8.187 -7.235 1.00 1.53 H new ATOM 0 HD3 ARG A 97 10.355 -9.698 -7.593 1.00 1.53 H new ATOM 0 HE ARG A 97 11.722 -7.940 -9.592 1.00 2.00 H new ATOM 0 HH11 ARG A 97 10.506 -11.169 -8.759 1.00 2.34 H new ATOM 0 HH12 ARG A 97 11.198 -11.862 -10.229 1.00 2.34 H new ATOM 0 HH21 ARG A 97 12.493 -8.934 -11.422 1.00 3.69 H new ATOM 0 HH22 ARG A 97 12.256 -10.670 -11.647 1.00 3.69 H new ATOM 1017 N GLN A 98 7.062 -7.794 -11.526 1.00 0.60 N ATOM 1018 CA GLN A 98 7.137 -7.079 -12.805 1.00 0.59 C ATOM 1019 C GLN A 98 5.930 -6.165 -13.022 1.00 0.58 C ATOM 1020 O GLN A 98 6.068 -4.993 -13.412 1.00 0.61 O ATOM 1021 CB GLN A 98 7.217 -8.134 -13.921 1.00 0.64 C ATOM 1022 CG GLN A 98 7.540 -7.584 -15.320 1.00 0.94 C ATOM 1023 CD GLN A 98 6.903 -8.446 -16.409 1.00 1.59 C ATOM 1024 OE1 GLN A 98 7.528 -9.284 -17.044 1.00 2.15 O ATOM 1025 NE2 GLN A 98 5.629 -8.273 -16.676 1.00 2.25 N ATOM 0 H GLN A 98 7.008 -8.808 -11.626 1.00 0.60 H new ATOM 0 HA GLN A 98 8.017 -6.436 -12.810 1.00 0.59 H new ATOM 0 HB2 GLN A 98 7.977 -8.867 -13.652 1.00 0.64 H new ATOM 0 HB3 GLN A 98 6.265 -8.664 -13.967 1.00 0.64 H new ATOM 0 HG2 GLN A 98 7.178 -6.559 -15.404 1.00 0.94 H new ATOM 0 HG3 GLN A 98 8.620 -7.553 -15.462 1.00 0.94 H new ATOM 0 HE21 GLN A 98 5.089 -7.580 -16.158 1.00 2.25 H new ATOM 0 HE22 GLN A 98 5.179 -8.832 -17.401 1.00 2.25 H new ATOM 1034 N GLY A 99 4.751 -6.704 -12.700 1.00 0.55 N ATOM 1035 CA GLY A 99 3.498 -5.966 -12.752 1.00 0.56 C ATOM 1036 C GLY A 99 3.576 -4.662 -11.965 1.00 0.54 C ATOM 1037 O GLY A 99 3.220 -3.606 -12.485 1.00 0.57 O ATOM 0 H GLY A 99 4.644 -7.671 -12.395 1.00 0.55 H new ATOM 0 HA2 GLY A 99 3.246 -5.749 -13.790 1.00 0.56 H new ATOM 0 HA3 GLY A 99 2.695 -6.585 -12.352 1.00 0.56 H new ATOM 1041 N ILE A 100 4.115 -4.699 -10.742 1.00 0.53 N ATOM 1042 CA ILE A 100 4.131 -3.534 -9.864 1.00 0.55 C ATOM 1043 C ILE A 100 5.282 -2.580 -10.184 1.00 0.62 C ATOM 1044 O ILE A 100 5.111 -1.364 -10.068 1.00 0.69 O ATOM 1045 CB ILE A 100 4.034 -3.972 -8.405 1.00 0.54 C ATOM 1046 CG1 ILE A 100 3.372 -2.887 -7.554 1.00 0.56 C ATOM 1047 CG2 ILE A 100 5.370 -4.378 -7.762 1.00 0.55 C ATOM 1048 CD1 ILE A 100 1.993 -2.367 -7.988 1.00 0.64 C ATOM 0 H ILE A 100 4.547 -5.531 -10.340 1.00 0.53 H new ATOM 0 HA ILE A 100 3.243 -2.930 -10.053 1.00 0.55 H new ATOM 0 HB ILE A 100 3.420 -4.872 -8.428 1.00 0.54 H new ATOM 0 HG12 ILE A 100 3.279 -3.271 -6.538 1.00 0.56 H new ATOM 0 HG13 ILE A 100 4.051 -2.036 -7.512 1.00 0.56 H new ATOM 0 HG21 ILE A 100 5.201 -4.673 -6.727 1.00 0.55 H new ATOM 0 HG22 ILE A 100 5.799 -5.215 -8.312 1.00 0.55 H new ATOM 0 HG23 ILE A 100 6.059 -3.534 -7.790 1.00 0.55 H new ATOM 0 HD11 ILE A 100 1.655 -1.603 -7.287 1.00 0.64 H new ATOM 0 HD12 ILE A 100 2.064 -1.937 -8.987 1.00 0.64 H new ATOM 0 HD13 ILE A 100 1.280 -3.191 -7.998 1.00 0.64 H new ATOM 1060 N LYS A 101 6.419 -3.105 -10.663 1.00 0.62 N ATOM 1061 CA LYS A 101 7.550 -2.301 -11.140 1.00 0.70 C ATOM 1062 C LYS A 101 7.197 -1.452 -12.358 1.00 0.74 C ATOM 1063 O LYS A 101 7.625 -0.298 -12.415 1.00 0.84 O ATOM 1064 CB LYS A 101 8.765 -3.192 -11.434 1.00 0.74 C ATOM 1065 CG LYS A 101 9.454 -3.654 -10.140 1.00 0.79 C ATOM 1066 CD LYS A 101 10.648 -4.574 -10.426 1.00 0.92 C ATOM 1067 CE LYS A 101 11.826 -3.825 -11.066 1.00 1.60 C ATOM 1068 NZ LYS A 101 12.837 -4.748 -11.624 1.00 1.78 N ATOM 0 H LYS A 101 6.579 -4.110 -10.730 1.00 0.62 H new ATOM 0 HA LYS A 101 7.805 -1.610 -10.337 1.00 0.70 H new ATOM 0 HB2 LYS A 101 8.448 -4.062 -12.009 1.00 0.74 H new ATOM 0 HB3 LYS A 101 9.478 -2.645 -12.051 1.00 0.74 H new ATOM 0 HG2 LYS A 101 9.793 -2.784 -9.578 1.00 0.79 H new ATOM 0 HG3 LYS A 101 8.734 -4.178 -9.512 1.00 0.79 H new ATOM 0 HD2 LYS A 101 10.978 -5.036 -9.496 1.00 0.92 H new ATOM 0 HD3 LYS A 101 10.331 -5.380 -11.088 1.00 0.92 H new ATOM 0 HE2 LYS A 101 11.454 -3.175 -11.858 1.00 1.60 H new ATOM 0 HE3 LYS A 101 12.295 -3.183 -10.320 1.00 1.60 H new ATOM 0 HZ1 LYS A 101 13.613 -4.199 -12.045 1.00 1.78 H new ATOM 0 HZ2 LYS A 101 13.212 -5.352 -10.865 1.00 1.78 H new ATOM 0 HZ3 LYS A 101 12.398 -5.343 -12.355 1.00 1.78 H new ATOM 1082 N ASP A 102 6.385 -1.965 -13.290 1.00 0.69 N ATOM 1083 CA ASP A 102 5.881 -1.108 -14.378 1.00 0.80 C ATOM 1084 C ASP A 102 4.711 -0.213 -13.913 1.00 0.79 C ATOM 1085 O ASP A 102 4.751 1.010 -14.071 1.00 0.91 O ATOM 1086 CB ASP A 102 5.538 -1.945 -15.622 1.00 0.88 C ATOM 1087 CG ASP A 102 5.709 -1.122 -16.904 1.00 1.18 C ATOM 1088 OD1 ASP A 102 6.872 -0.838 -17.285 1.00 2.57 O ATOM 1089 OD2 ASP A 102 4.695 -0.784 -17.558 1.00 1.82 O ATOM 0 H ASP A 102 6.069 -2.935 -13.318 1.00 0.69 H new ATOM 0 HA ASP A 102 6.680 -0.425 -14.666 1.00 0.80 H new ATOM 0 HB2 ASP A 102 6.181 -2.824 -15.662 1.00 0.88 H new ATOM 0 HB3 ASP A 102 4.511 -2.304 -15.551 1.00 0.88 H new ATOM 1094 N TYR A 103 3.689 -0.780 -13.259 1.00 0.70 N ATOM 1095 CA TYR A 103 2.454 -0.068 -12.910 1.00 0.71 C ATOM 1096 C TYR A 103 2.644 1.105 -11.938 1.00 0.86 C ATOM 1097 O TYR A 103 1.966 2.126 -12.078 1.00 1.01 O ATOM 1098 CB TYR A 103 1.475 -1.083 -12.325 1.00 0.63 C ATOM 1099 CG TYR A 103 0.069 -0.568 -12.141 1.00 0.58 C ATOM 1100 CD1 TYR A 103 -0.851 -0.720 -13.190 1.00 1.75 C ATOM 1101 CD2 TYR A 103 -0.331 0.012 -10.925 1.00 1.80 C ATOM 1102 CE1 TYR A 103 -2.203 -0.378 -12.994 1.00 1.76 C ATOM 1103 CE2 TYR A 103 -1.674 0.407 -10.746 1.00 1.81 C ATOM 1104 CZ TYR A 103 -2.616 0.197 -11.777 1.00 0.63 C ATOM 1105 OH TYR A 103 -3.903 0.603 -11.639 1.00 0.73 O ATOM 0 H TYR A 103 3.697 -1.754 -12.955 1.00 0.70 H new ATOM 0 HA TYR A 103 2.073 0.386 -13.825 1.00 0.71 H new ATOM 0 HB2 TYR A 103 1.445 -1.956 -12.977 1.00 0.63 H new ATOM 0 HB3 TYR A 103 1.854 -1.418 -11.360 1.00 0.63 H new ATOM 0 HD1 TYR A 103 -0.522 -1.099 -14.147 1.00 1.75 H new ATOM 0 HD2 TYR A 103 0.387 0.155 -10.131 1.00 1.80 H new ATOM 0 HE1 TYR A 103 -2.924 -0.557 -13.778 1.00 1.76 H new ATOM 0 HE2 TYR A 103 -1.982 0.870 -9.820 1.00 1.81 H new ATOM 0 HH TYR A 103 -4.034 0.978 -10.743 1.00 0.73 H new ATOM 1115 N SER A 104 3.568 0.985 -10.977 1.00 0.87 N ATOM 1116 CA SER A 104 3.961 2.068 -10.055 1.00 1.02 C ATOM 1117 C SER A 104 5.115 2.936 -10.580 1.00 1.18 C ATOM 1118 O SER A 104 5.499 3.919 -9.936 1.00 1.36 O ATOM 1119 CB SER A 104 4.319 1.494 -8.683 1.00 0.99 C ATOM 1120 OG SER A 104 5.576 0.842 -8.703 1.00 1.87 O ATOM 0 H SER A 104 4.076 0.116 -10.812 1.00 0.87 H new ATOM 0 HA SER A 104 3.095 2.724 -9.971 1.00 1.02 H new ATOM 0 HB2 SER A 104 4.336 2.296 -7.945 1.00 0.99 H new ATOM 0 HB3 SER A 104 3.548 0.790 -8.370 1.00 0.99 H new ATOM 0 HG SER A 104 5.460 -0.082 -9.007 1.00 1.87 H new ATOM 1126 N ASN A 105 5.671 2.566 -11.739 1.00 1.15 N ATOM 1127 CA ASN A 105 6.847 3.164 -12.383 1.00 1.26 C ATOM 1128 C ASN A 105 8.137 3.240 -11.516 1.00 1.31 C ATOM 1129 O ASN A 105 9.036 4.016 -11.852 1.00 1.41 O ATOM 1130 CB ASN A 105 6.431 4.511 -13.018 1.00 1.41 C ATOM 1131 CG ASN A 105 7.030 4.769 -14.381 1.00 1.57 C ATOM 1132 OD1 ASN A 105 6.320 4.957 -15.359 1.00 2.01 O ATOM 1133 ND2 ASN A 105 8.328 4.799 -14.499 1.00 1.43 N ATOM 0 H ASN A 105 5.289 1.794 -12.286 1.00 1.15 H new ATOM 0 HA ASN A 105 7.170 2.478 -13.166 1.00 1.26 H new ATOM 0 HB2 ASN A 105 5.345 4.540 -13.101 1.00 1.41 H new ATOM 0 HB3 ASN A 105 6.721 5.320 -12.348 1.00 1.41 H new ATOM 0 HD21 ASN A 105 8.753 4.980 -15.408 1.00 1.43 H new ATOM 0 HD22 ASN A 105 8.918 4.642 -13.682 1.00 1.43 H new ATOM 1140 N TRP A 106 8.249 2.484 -10.412 1.00 1.29 N ATOM 1141 CA TRP A 106 9.466 2.376 -9.590 1.00 1.12 C ATOM 1142 C TRP A 106 10.022 0.954 -9.631 1.00 1.06 C ATOM 1143 O TRP A 106 9.255 0.019 -9.379 1.00 1.14 O ATOM 1144 CB TRP A 106 9.219 2.760 -8.118 1.00 1.04 C ATOM 1145 CG TRP A 106 9.825 4.077 -7.735 1.00 1.19 C ATOM 1146 CD1 TRP A 106 10.797 4.232 -6.813 1.00 1.26 C ATOM 1147 CD2 TRP A 106 9.594 5.414 -8.285 1.00 1.34 C ATOM 1148 NE1 TRP A 106 11.202 5.549 -6.769 1.00 1.39 N ATOM 1149 CE2 TRP A 106 10.503 6.323 -7.665 1.00 1.45 C ATOM 1150 CE3 TRP A 106 8.738 5.950 -9.270 1.00 1.45 C ATOM 1151 CZ2 TRP A 106 10.572 7.679 -8.014 1.00 1.64 C ATOM 1152 CZ3 TRP A 106 8.804 7.309 -9.640 1.00 1.64 C ATOM 1153 CH2 TRP A 106 9.724 8.172 -9.020 1.00 1.73 C ATOM 0 H TRP A 106 7.478 1.918 -10.058 1.00 1.29 H new ATOM 0 HA TRP A 106 10.183 3.077 -10.016 1.00 1.12 H new ATOM 0 HB2 TRP A 106 8.145 2.796 -7.935 1.00 1.04 H new ATOM 0 HB3 TRP A 106 9.626 1.980 -7.474 1.00 1.04 H new ATOM 0 HD1 TRP A 106 11.199 3.440 -6.199 1.00 1.26 H new ATOM 0 HE1 TRP A 106 11.930 5.905 -6.149 1.00 1.39 H new ATOM 0 HE3 TRP A 106 8.017 5.306 -9.751 1.00 1.45 H new ATOM 0 HZ2 TRP A 106 11.269 8.337 -7.516 1.00 1.64 H new ATOM 0 HZ3 TRP A 106 8.143 7.689 -10.405 1.00 1.64 H new ATOM 0 HH2 TRP A 106 9.779 9.209 -9.316 1.00 1.73 H new ATOM 1164 N PRO A 107 11.340 0.757 -9.802 1.00 1.03 N ATOM 1165 CA PRO A 107 11.925 -0.567 -9.696 1.00 1.08 C ATOM 1166 C PRO A 107 11.917 -1.094 -8.252 1.00 0.98 C ATOM 1167 O PRO A 107 11.777 -2.306 -8.073 1.00 1.03 O ATOM 1168 CB PRO A 107 13.340 -0.433 -10.269 1.00 1.25 C ATOM 1169 CG PRO A 107 13.704 1.020 -9.975 1.00 1.20 C ATOM 1170 CD PRO A 107 12.363 1.740 -10.129 1.00 1.05 C ATOM 0 HA PRO A 107 11.346 -1.306 -10.250 1.00 1.08 H new ATOM 0 HB2 PRO A 107 14.034 -1.125 -9.792 1.00 1.25 H new ATOM 0 HB3 PRO A 107 13.362 -0.645 -11.338 1.00 1.25 H new ATOM 0 HG2 PRO A 107 14.115 1.140 -8.973 1.00 1.20 H new ATOM 0 HG3 PRO A 107 14.450 1.400 -10.673 1.00 1.20 H new ATOM 0 HD2 PRO A 107 12.304 2.601 -9.463 1.00 1.05 H new ATOM 0 HD3 PRO A 107 12.235 2.113 -11.145 1.00 1.05 H new ATOM 1178 N THR A 108 12.048 -0.231 -7.224 1.00 0.99 N ATOM 1179 CA THR A 108 12.463 -0.719 -5.891 1.00 1.27 C ATOM 1180 C THR A 108 11.964 0.076 -4.672 1.00 1.13 C ATOM 1181 O THR A 108 12.733 0.437 -3.777 1.00 1.58 O ATOM 1182 CB THR A 108 13.997 -0.911 -5.822 1.00 2.10 C ATOM 1183 OG1 THR A 108 14.567 -1.300 -7.058 1.00 3.47 O ATOM 1184 CG2 THR A 108 14.406 -2.009 -4.840 1.00 2.06 C ATOM 0 H THR A 108 11.880 0.773 -7.284 1.00 0.99 H new ATOM 0 HA THR A 108 11.951 -1.677 -5.806 1.00 1.27 H new ATOM 0 HB THR A 108 14.359 0.069 -5.511 1.00 2.10 H new ATOM 0 HG1 THR A 108 15.536 -1.404 -6.953 1.00 3.47 H new ATOM 0 HG21 THR A 108 15.492 -2.102 -4.830 1.00 2.06 H new ATOM 0 HG22 THR A 108 14.055 -1.752 -3.840 1.00 2.06 H new ATOM 0 HG23 THR A 108 13.963 -2.956 -5.148 1.00 2.06 H new ATOM 1192 N ILE A 109 10.655 0.328 -4.610 1.00 1.01 N ATOM 1193 CA ILE A 109 9.942 0.827 -3.410 1.00 0.82 C ATOM 1194 C ILE A 109 8.587 0.087 -3.244 1.00 0.83 C ATOM 1195 O ILE A 109 7.883 -0.083 -4.247 1.00 1.48 O ATOM 1196 CB ILE A 109 9.761 2.369 -3.509 1.00 1.40 C ATOM 1197 CG1 ILE A 109 11.079 3.179 -3.424 1.00 2.50 C ATOM 1198 CG2 ILE A 109 8.789 2.931 -2.459 1.00 1.38 C ATOM 1199 CD1 ILE A 109 11.783 3.174 -2.060 1.00 3.99 C ATOM 0 H ILE A 109 10.036 0.190 -5.409 1.00 1.01 H new ATOM 0 HA ILE A 109 10.533 0.620 -2.518 1.00 0.82 H new ATOM 0 HB ILE A 109 9.344 2.497 -4.508 1.00 1.40 H new ATOM 0 HG12 ILE A 109 11.771 2.788 -4.170 1.00 2.50 H new ATOM 0 HG13 ILE A 109 10.866 4.212 -3.697 1.00 2.50 H new ATOM 0 HG21 ILE A 109 8.706 4.011 -2.581 1.00 1.38 H new ATOM 0 HG22 ILE A 109 7.808 2.475 -2.590 1.00 1.38 H new ATOM 0 HG23 ILE A 109 9.163 2.706 -1.460 1.00 1.38 H new ATOM 0 HD11 ILE A 109 12.693 3.772 -2.118 1.00 3.99 H new ATOM 0 HD12 ILE A 109 11.119 3.596 -1.306 1.00 3.99 H new ATOM 0 HD13 ILE A 109 12.038 2.150 -1.786 1.00 3.99 H new ATOM 1211 N PRO A 110 8.158 -0.330 -2.030 1.00 0.59 N ATOM 1212 CA PRO A 110 6.822 -0.909 -1.805 1.00 0.74 C ATOM 1213 C PRO A 110 5.709 0.156 -1.821 1.00 0.58 C ATOM 1214 O PRO A 110 5.962 1.313 -1.479 1.00 0.52 O ATOM 1215 CB PRO A 110 6.912 -1.656 -0.475 1.00 1.00 C ATOM 1216 CG PRO A 110 8.059 -1.003 0.279 1.00 0.55 C ATOM 1217 CD PRO A 110 8.947 -0.381 -0.804 1.00 0.60 C ATOM 0 HA PRO A 110 6.545 -1.588 -2.611 1.00 0.74 H new ATOM 0 HB2 PRO A 110 5.979 -1.577 0.084 1.00 1.00 H new ATOM 0 HB3 PRO A 110 7.100 -2.718 -0.633 1.00 1.00 H new ATOM 0 HG2 PRO A 110 7.694 -0.245 0.972 1.00 0.55 H new ATOM 0 HG3 PRO A 110 8.611 -1.735 0.868 1.00 0.55 H new ATOM 0 HD2 PRO A 110 9.268 0.619 -0.511 1.00 0.60 H new ATOM 0 HD3 PRO A 110 9.849 -0.976 -0.951 1.00 0.60 H new ATOM 1225 N GLN A 111 4.485 -0.213 -2.226 1.00 0.63 N ATOM 1226 CA GLN A 111 3.399 0.724 -2.576 1.00 0.69 C ATOM 1227 C GLN A 111 2.113 0.450 -1.777 1.00 0.53 C ATOM 1228 O GLN A 111 1.947 -0.631 -1.199 1.00 0.43 O ATOM 1229 CB GLN A 111 3.082 0.630 -4.086 1.00 0.90 C ATOM 1230 CG GLN A 111 4.245 0.671 -5.087 1.00 1.01 C ATOM 1231 CD GLN A 111 4.935 2.024 -5.177 1.00 1.82 C ATOM 1232 OE1 GLN A 111 4.372 3.036 -5.569 1.00 3.43 O ATOM 1233 NE2 GLN A 111 6.201 2.092 -4.858 1.00 2.21 N ATOM 0 H GLN A 111 4.213 -1.191 -2.323 1.00 0.63 H new ATOM 0 HA GLN A 111 3.749 1.725 -2.323 1.00 0.69 H new ATOM 0 HB2 GLN A 111 2.536 -0.298 -4.252 1.00 0.90 H new ATOM 0 HB3 GLN A 111 2.404 1.447 -4.333 1.00 0.90 H new ATOM 0 HG2 GLN A 111 4.980 -0.083 -4.805 1.00 1.01 H new ATOM 0 HG3 GLN A 111 3.871 0.399 -6.074 1.00 1.01 H new ATOM 0 HE21 GLN A 111 6.689 1.259 -4.529 1.00 2.21 H new ATOM 0 HE22 GLN A 111 6.700 2.978 -4.938 1.00 2.21 H new ATOM 1242 N VAL A 112 1.150 1.381 -1.806 1.00 0.57 N ATOM 1243 CA VAL A 112 -0.255 1.085 -1.503 1.00 0.55 C ATOM 1244 C VAL A 112 -1.141 1.633 -2.630 1.00 0.71 C ATOM 1245 O VAL A 112 -0.686 2.462 -3.413 1.00 1.19 O ATOM 1246 CB VAL A 112 -0.603 1.516 -0.062 1.00 0.57 C ATOM 1247 CG1 VAL A 112 -0.546 3.023 0.202 1.00 0.68 C ATOM 1248 CG2 VAL A 112 -1.948 0.964 0.420 1.00 0.51 C ATOM 0 H VAL A 112 1.323 2.359 -2.040 1.00 0.57 H new ATOM 0 HA VAL A 112 -0.453 0.013 -1.494 1.00 0.55 H new ATOM 0 HB VAL A 112 0.201 1.066 0.521 1.00 0.57 H new ATOM 0 HG11 VAL A 112 -0.807 3.220 1.242 1.00 0.68 H new ATOM 0 HG12 VAL A 112 0.462 3.389 0.005 1.00 0.68 H new ATOM 0 HG13 VAL A 112 -1.252 3.534 -0.452 1.00 0.68 H new ATOM 0 HG21 VAL A 112 -2.136 1.302 1.439 1.00 0.51 H new ATOM 0 HG22 VAL A 112 -2.744 1.322 -0.233 1.00 0.51 H new ATOM 0 HG23 VAL A 112 -1.923 -0.125 0.398 1.00 0.51 H new ATOM 1258 N TYR A 113 -2.343 1.091 -2.809 1.00 0.46 N ATOM 1259 CA TYR A 113 -3.447 1.683 -3.592 1.00 0.42 C ATOM 1260 C TYR A 113 -4.725 1.707 -2.751 1.00 0.40 C ATOM 1261 O TYR A 113 -5.071 0.705 -2.115 1.00 0.40 O ATOM 1262 CB TYR A 113 -3.667 0.891 -4.887 1.00 0.44 C ATOM 1263 CG TYR A 113 -2.478 1.002 -5.809 1.00 0.49 C ATOM 1264 CD1 TYR A 113 -1.339 0.220 -5.550 1.00 1.23 C ATOM 1265 CD2 TYR A 113 -2.455 1.967 -6.830 1.00 1.68 C ATOM 1266 CE1 TYR A 113 -0.151 0.451 -6.255 1.00 1.17 C ATOM 1267 CE2 TYR A 113 -1.275 2.173 -7.566 1.00 1.78 C ATOM 1268 CZ TYR A 113 -0.111 1.428 -7.271 1.00 0.69 C ATOM 1269 OH TYR A 113 1.035 1.654 -7.964 1.00 0.90 O ATOM 0 H TYR A 113 -2.594 0.191 -2.400 1.00 0.46 H new ATOM 0 HA TYR A 113 -3.184 2.707 -3.859 1.00 0.42 H new ATOM 0 HB2 TYR A 113 -3.847 -0.157 -4.648 1.00 0.44 H new ATOM 0 HB3 TYR A 113 -4.558 1.260 -5.394 1.00 0.44 H new ATOM 0 HD1 TYR A 113 -1.380 -0.561 -4.805 1.00 1.23 H new ATOM 0 HD2 TYR A 113 -3.339 2.547 -7.048 1.00 1.68 H new ATOM 0 HE1 TYR A 113 0.735 -0.120 -6.020 1.00 1.17 H new ATOM 0 HE2 TYR A 113 -1.258 2.904 -8.361 1.00 1.78 H new ATOM 0 HH TYR A 113 1.364 2.556 -7.767 1.00 0.90 H new ATOM 1279 N LEU A 114 -5.432 2.841 -2.754 1.00 0.41 N ATOM 1280 CA LEU A 114 -6.706 3.001 -2.054 1.00 0.39 C ATOM 1281 C LEU A 114 -7.869 3.013 -3.028 1.00 0.44 C ATOM 1282 O LEU A 114 -7.906 3.850 -3.928 1.00 0.50 O ATOM 1283 CB LEU A 114 -6.733 4.228 -1.135 1.00 0.47 C ATOM 1284 CG LEU A 114 -6.352 3.885 0.314 1.00 0.48 C ATOM 1285 CD1 LEU A 114 -4.922 3.385 0.443 1.00 0.57 C ATOM 1286 CD2 LEU A 114 -6.601 5.113 1.182 1.00 0.61 C ATOM 0 H LEU A 114 -5.131 3.681 -3.248 1.00 0.41 H new ATOM 0 HA LEU A 114 -6.814 2.132 -1.405 1.00 0.39 H new ATOM 0 HB2 LEU A 114 -6.046 4.981 -1.520 1.00 0.47 H new ATOM 0 HB3 LEU A 114 -7.730 4.668 -1.151 1.00 0.47 H new ATOM 0 HG LEU A 114 -6.977 3.059 0.654 1.00 0.48 H new ATOM 0 HD11 LEU A 114 -4.709 3.158 1.488 1.00 0.57 H new ATOM 0 HD12 LEU A 114 -4.796 2.484 -0.157 1.00 0.57 H new ATOM 0 HD13 LEU A 114 -4.234 4.154 0.091 1.00 0.57 H new ATOM 0 HD21 LEU A 114 -6.336 4.888 2.215 1.00 0.61 H new ATOM 0 HD22 LEU A 114 -5.991 5.942 0.823 1.00 0.61 H new ATOM 0 HD23 LEU A 114 -7.654 5.388 1.129 1.00 0.61 H new ATOM 1298 N ASN A 115 -8.832 2.110 -2.831 1.00 0.44 N ATOM 1299 CA ASN A 115 -9.971 1.953 -3.751 1.00 0.52 C ATOM 1300 C ASN A 115 -9.521 1.653 -5.211 1.00 0.56 C ATOM 1301 O ASN A 115 -10.128 2.109 -6.182 1.00 0.68 O ATOM 1302 CB ASN A 115 -10.873 3.193 -3.594 1.00 0.58 C ATOM 1303 CG ASN A 115 -12.355 2.897 -3.729 1.00 0.68 C ATOM 1304 OD1 ASN A 115 -12.799 1.824 -4.134 1.00 0.78 O ATOM 1305 ND2 ASN A 115 -13.175 3.818 -3.299 1.00 0.74 N ATOM 0 H ASN A 115 -8.849 1.470 -2.037 1.00 0.44 H new ATOM 0 HA ASN A 115 -10.557 1.071 -3.492 1.00 0.52 H new ATOM 0 HB2 ASN A 115 -10.690 3.642 -2.618 1.00 0.58 H new ATOM 0 HB3 ASN A 115 -10.591 3.933 -4.343 1.00 0.58 H new ATOM 0 HD21 ASN A 115 -14.180 3.646 -3.300 1.00 0.74 H new ATOM 0 HD22 ASN A 115 -12.810 4.709 -2.962 1.00 0.74 H new ATOM 1312 N GLY A 116 -8.391 0.950 -5.363 1.00 0.49 N ATOM 1313 CA GLY A 116 -7.626 0.782 -6.600 1.00 0.47 C ATOM 1314 C GLY A 116 -6.765 1.964 -7.068 1.00 0.46 C ATOM 1315 O GLY A 116 -6.014 1.833 -8.030 1.00 0.68 O ATOM 0 H GLY A 116 -7.964 0.456 -4.579 1.00 0.49 H new ATOM 0 HA2 GLY A 116 -6.973 -0.082 -6.477 1.00 0.47 H new ATOM 0 HA3 GLY A 116 -8.327 0.540 -7.399 1.00 0.47 H new ATOM 1319 N GLU A 117 -6.873 3.134 -6.448 1.00 0.47 N ATOM 1320 CA GLU A 117 -6.305 4.384 -6.957 1.00 0.59 C ATOM 1321 C GLU A 117 -5.077 4.842 -6.162 1.00 0.61 C ATOM 1322 O GLU A 117 -4.868 4.514 -4.993 1.00 0.51 O ATOM 1323 CB GLU A 117 -7.421 5.420 -7.102 1.00 0.90 C ATOM 1324 CG GLU A 117 -7.050 6.652 -7.912 1.00 1.29 C ATOM 1325 CD GLU A 117 -8.282 7.363 -8.495 1.00 1.92 C ATOM 1326 OE1 GLU A 117 -9.276 7.594 -7.766 1.00 2.77 O ATOM 1327 OE2 GLU A 117 -8.290 7.677 -9.708 1.00 2.50 O ATOM 0 H GLU A 117 -7.366 3.246 -5.562 1.00 0.47 H new ATOM 0 HA GLU A 117 -5.896 4.226 -7.955 1.00 0.59 H new ATOM 0 HB2 GLU A 117 -8.282 4.942 -7.569 1.00 0.90 H new ATOM 0 HB3 GLU A 117 -7.733 5.738 -6.107 1.00 0.90 H new ATOM 0 HG2 GLU A 117 -6.498 7.347 -7.279 1.00 1.29 H new ATOM 0 HG3 GLU A 117 -6.383 6.362 -8.724 1.00 1.29 H new ATOM 1334 N PHE A 118 -4.199 5.533 -6.875 1.00 0.81 N ATOM 1335 CA PHE A 118 -2.813 5.761 -6.503 1.00 0.81 C ATOM 1336 C PHE A 118 -2.602 6.941 -5.559 1.00 0.70 C ATOM 1337 O PHE A 118 -3.248 7.992 -5.595 1.00 0.83 O ATOM 1338 CB PHE A 118 -1.996 5.845 -7.797 1.00 1.05 C ATOM 1339 CG PHE A 118 -0.478 5.812 -7.724 1.00 1.15 C ATOM 1340 CD1 PHE A 118 0.242 5.149 -6.705 1.00 1.53 C ATOM 1341 CD2 PHE A 118 0.221 6.386 -8.799 1.00 2.53 C ATOM 1342 CE1 PHE A 118 1.644 5.061 -6.775 1.00 1.59 C ATOM 1343 CE2 PHE A 118 1.622 6.302 -8.865 1.00 2.72 C ATOM 1344 CZ PHE A 118 2.333 5.642 -7.852 1.00 1.58 C ATOM 0 H PHE A 118 -4.445 5.967 -7.765 1.00 0.81 H new ATOM 0 HA PHE A 118 -2.460 4.923 -5.902 1.00 0.81 H new ATOM 0 HB2 PHE A 118 -2.311 5.021 -8.437 1.00 1.05 H new ATOM 0 HB3 PHE A 118 -2.279 6.768 -8.303 1.00 1.05 H new ATOM 0 HD1 PHE A 118 -0.285 4.709 -5.871 1.00 1.53 H new ATOM 0 HD2 PHE A 118 -0.323 6.896 -9.581 1.00 2.53 H new ATOM 0 HE1 PHE A 118 2.191 4.546 -5.999 1.00 1.59 H new ATOM 0 HE2 PHE A 118 2.151 6.745 -9.695 1.00 2.72 H new ATOM 0 HZ PHE A 118 3.410 5.581 -7.900 1.00 1.58 H new ATOM 1354 N VAL A 119 -1.678 6.652 -4.662 1.00 0.54 N ATOM 1355 CA VAL A 119 -1.486 7.211 -3.338 1.00 0.43 C ATOM 1356 C VAL A 119 0.012 7.414 -3.131 1.00 0.85 C ATOM 1357 O VAL A 119 0.449 8.542 -2.912 1.00 1.15 O ATOM 1358 CB VAL A 119 -2.114 6.266 -2.294 1.00 0.69 C ATOM 1359 CG1 VAL A 119 -3.606 6.521 -2.082 1.00 1.45 C ATOM 1360 CG2 VAL A 119 -2.020 4.804 -2.627 1.00 2.52 C ATOM 0 H VAL A 119 -0.970 5.946 -4.865 1.00 0.54 H new ATOM 0 HA VAL A 119 -1.979 8.177 -3.226 1.00 0.43 H new ATOM 0 HB VAL A 119 -1.523 6.492 -1.407 1.00 0.69 H new ATOM 0 HG11 VAL A 119 -3.992 5.826 -1.336 1.00 1.45 H new ATOM 0 HG12 VAL A 119 -3.755 7.544 -1.735 1.00 1.45 H new ATOM 0 HG13 VAL A 119 -4.137 6.376 -3.023 1.00 1.45 H new ATOM 0 HG21 VAL A 119 -2.488 4.220 -1.835 1.00 2.52 H new ATOM 0 HG22 VAL A 119 -2.531 4.612 -3.570 1.00 2.52 H new ATOM 0 HG23 VAL A 119 -0.972 4.518 -2.718 1.00 2.52 H new ATOM 1370 N GLY A 120 0.800 6.353 -3.340 1.00 0.92 N ATOM 1371 CA GLY A 120 2.250 6.420 -3.520 1.00 1.07 C ATOM 1372 C GLY A 120 3.030 5.225 -2.963 1.00 0.72 C ATOM 1373 O GLY A 120 2.469 4.320 -2.337 1.00 0.57 O ATOM 0 H GLY A 120 0.435 5.402 -3.389 1.00 0.92 H new ATOM 0 HA2 GLY A 120 2.465 6.510 -4.585 1.00 1.07 H new ATOM 0 HA3 GLY A 120 2.618 7.328 -3.043 1.00 1.07 H new ATOM 1377 N GLY A 121 4.347 5.251 -3.183 1.00 0.72 N ATOM 1378 CA GLY A 121 5.307 4.354 -2.537 1.00 0.56 C ATOM 1379 C GLY A 121 5.652 4.753 -1.100 1.00 0.53 C ATOM 1380 O GLY A 121 5.263 5.823 -0.638 1.00 0.58 O ATOM 0 H GLY A 121 4.784 5.909 -3.828 1.00 0.72 H new ATOM 0 HA2 GLY A 121 4.902 3.342 -2.536 1.00 0.56 H new ATOM 0 HA3 GLY A 121 6.223 4.330 -3.128 1.00 0.56 H new ATOM 1384 N CYS A 122 6.442 3.940 -0.392 1.00 0.48 N ATOM 1385 CA CYS A 122 6.889 4.230 0.981 1.00 0.47 C ATOM 1386 C CYS A 122 7.530 5.630 1.140 1.00 0.65 C ATOM 1387 O CYS A 122 7.268 6.317 2.124 1.00 0.85 O ATOM 1388 CB CYS A 122 7.865 3.129 1.427 1.00 0.51 C ATOM 1389 SG CYS A 122 8.290 3.356 3.180 1.00 0.83 S ATOM 0 H CYS A 122 6.794 3.054 -0.755 1.00 0.48 H new ATOM 0 HA CYS A 122 6.006 4.240 1.620 1.00 0.47 H new ATOM 0 HB2 CYS A 122 7.414 2.148 1.277 1.00 0.51 H new ATOM 0 HB3 CYS A 122 8.768 3.162 0.817 1.00 0.51 H new ATOM 0 HG CYS A 122 9.478 2.878 3.404 1.00 0.83 H new ATOM 1395 N ASP A 123 8.322 6.085 0.161 1.00 0.71 N ATOM 1396 CA ASP A 123 8.971 7.411 0.169 1.00 0.92 C ATOM 1397 C ASP A 123 7.968 8.582 0.057 1.00 0.98 C ATOM 1398 O ASP A 123 8.271 9.709 0.454 1.00 1.33 O ATOM 1399 CB ASP A 123 9.971 7.447 -0.996 1.00 1.13 C ATOM 1400 CG ASP A 123 11.036 8.541 -0.851 1.00 1.42 C ATOM 1401 OD1 ASP A 123 11.944 8.386 0.002 1.00 1.78 O ATOM 1402 OD2 ASP A 123 10.992 9.529 -1.622 1.00 2.64 O ATOM 0 H ASP A 123 8.536 5.538 -0.673 1.00 0.71 H new ATOM 0 HA ASP A 123 9.472 7.545 1.128 1.00 0.92 H new ATOM 0 HB2 ASP A 123 10.464 6.478 -1.072 1.00 1.13 H new ATOM 0 HB3 ASP A 123 9.427 7.601 -1.928 1.00 1.13 H new ATOM 1407 N ILE A 124 6.768 8.313 -0.472 1.00 0.76 N ATOM 1408 CA ILE A 124 5.610 9.219 -0.540 1.00 0.74 C ATOM 1409 C ILE A 124 4.747 9.106 0.718 1.00 0.65 C ATOM 1410 O ILE A 124 4.376 10.115 1.315 1.00 0.65 O ATOM 1411 CB ILE A 124 4.783 8.926 -1.803 1.00 0.75 C ATOM 1412 CG1 ILE A 124 5.636 8.975 -3.082 1.00 0.95 C ATOM 1413 CG2 ILE A 124 3.591 9.894 -1.879 1.00 0.71 C ATOM 1414 CD1 ILE A 124 6.533 10.202 -3.263 1.00 1.18 C ATOM 0 H ILE A 124 6.565 7.404 -0.889 1.00 0.76 H new ATOM 0 HA ILE A 124 5.977 10.244 -0.595 1.00 0.74 H new ATOM 0 HB ILE A 124 4.404 7.907 -1.732 1.00 0.75 H new ATOM 0 HG12 ILE A 124 6.267 8.086 -3.105 1.00 0.95 H new ATOM 0 HG13 ILE A 124 4.967 8.913 -3.940 1.00 0.95 H new ATOM 0 HG21 ILE A 124 3.008 9.683 -2.775 1.00 0.71 H new ATOM 0 HG22 ILE A 124 2.962 9.766 -0.998 1.00 0.71 H new ATOM 0 HG23 ILE A 124 3.957 10.920 -1.918 1.00 0.71 H new ATOM 0 HD11 ILE A 124 7.081 10.117 -4.201 1.00 1.18 H new ATOM 0 HD12 ILE A 124 5.919 11.102 -3.283 1.00 1.18 H new ATOM 0 HD13 ILE A 124 7.239 10.262 -2.434 1.00 1.18 H new ATOM 1426 N LEU A 125 4.470 7.880 1.166 1.00 0.59 N ATOM 1427 CA LEU A 125 3.691 7.597 2.377 1.00 0.53 C ATOM 1428 C LEU A 125 4.266 8.315 3.612 1.00 0.56 C ATOM 1429 O LEU A 125 3.510 8.805 4.450 1.00 0.56 O ATOM 1430 CB LEU A 125 3.661 6.068 2.585 1.00 0.49 C ATOM 1431 CG LEU A 125 2.509 5.593 3.489 1.00 0.44 C ATOM 1432 CD1 LEU A 125 1.174 5.600 2.741 1.00 0.50 C ATOM 1433 CD2 LEU A 125 2.753 4.159 3.953 1.00 0.50 C ATOM 0 H LEU A 125 4.787 7.037 0.688 1.00 0.59 H new ATOM 0 HA LEU A 125 2.677 7.977 2.249 1.00 0.53 H new ATOM 0 HB2 LEU A 125 3.576 5.579 1.615 1.00 0.49 H new ATOM 0 HB3 LEU A 125 4.608 5.750 3.020 1.00 0.49 H new ATOM 0 HG LEU A 125 2.470 6.279 4.335 1.00 0.44 H new ATOM 0 HD11 LEU A 125 0.382 5.259 3.408 1.00 0.50 H new ATOM 0 HD12 LEU A 125 0.953 6.612 2.401 1.00 0.50 H new ATOM 0 HD13 LEU A 125 1.236 4.934 1.880 1.00 0.50 H new ATOM 0 HD21 LEU A 125 1.930 3.838 4.591 1.00 0.50 H new ATOM 0 HD22 LEU A 125 2.817 3.502 3.086 1.00 0.50 H new ATOM 0 HD23 LEU A 125 3.686 4.112 4.514 1.00 0.50 H new ATOM 1445 N LEU A 126 5.595 8.457 3.671 1.00 0.62 N ATOM 1446 CA LEU A 126 6.323 9.160 4.740 1.00 0.70 C ATOM 1447 C LEU A 126 6.072 10.677 4.719 1.00 0.75 C ATOM 1448 O LEU A 126 6.179 11.342 5.743 1.00 0.87 O ATOM 1449 CB LEU A 126 7.836 8.853 4.624 1.00 0.77 C ATOM 1450 CG LEU A 126 8.578 8.520 5.934 1.00 0.81 C ATOM 1451 CD1 LEU A 126 8.506 9.617 6.994 1.00 0.86 C ATOM 1452 CD2 LEU A 126 8.065 7.232 6.562 1.00 0.84 C ATOM 0 H LEU A 126 6.214 8.075 2.956 1.00 0.62 H new ATOM 0 HA LEU A 126 5.948 8.795 5.696 1.00 0.70 H new ATOM 0 HB2 LEU A 126 7.961 8.014 3.939 1.00 0.77 H new ATOM 0 HB3 LEU A 126 8.324 9.714 4.166 1.00 0.77 H new ATOM 0 HG LEU A 126 9.618 8.414 5.625 1.00 0.81 H new ATOM 0 HD11 LEU A 126 9.053 9.301 7.882 1.00 0.86 H new ATOM 0 HD12 LEU A 126 8.949 10.532 6.601 1.00 0.86 H new ATOM 0 HD13 LEU A 126 7.464 9.802 7.256 1.00 0.86 H new ATOM 0 HD21 LEU A 126 8.613 7.033 7.483 1.00 0.84 H new ATOM 0 HD22 LEU A 126 7.003 7.334 6.787 1.00 0.84 H new ATOM 0 HD23 LEU A 126 8.210 6.405 5.867 1.00 0.84 H new ATOM 1464 N GLN A 127 5.705 11.244 3.572 1.00 0.75 N ATOM 1465 CA GLN A 127 5.260 12.629 3.446 1.00 0.81 C ATOM 1466 C GLN A 127 3.800 12.747 3.898 1.00 0.72 C ATOM 1467 O GLN A 127 3.456 13.492 4.819 1.00 0.73 O ATOM 1468 CB GLN A 127 5.413 13.068 1.980 1.00 0.90 C ATOM 1469 CG GLN A 127 6.722 12.632 1.302 1.00 0.99 C ATOM 1470 CD GLN A 127 7.968 12.865 2.146 1.00 1.06 C ATOM 1471 OE1 GLN A 127 8.185 13.931 2.707 1.00 1.12 O ATOM 1472 NE2 GLN A 127 8.805 11.864 2.288 1.00 1.12 N ATOM 0 H GLN A 127 5.709 10.741 2.684 1.00 0.75 H new ATOM 0 HA GLN A 127 5.866 13.277 4.079 1.00 0.81 H new ATOM 0 HB2 GLN A 127 4.575 12.669 1.408 1.00 0.90 H new ATOM 0 HB3 GLN A 127 5.342 14.155 1.933 1.00 0.90 H new ATOM 0 HG2 GLN A 127 6.656 11.572 1.056 1.00 0.99 H new ATOM 0 HG3 GLN A 127 6.828 13.171 0.361 1.00 0.99 H new ATOM 0 HE21 GLN A 127 8.623 10.976 1.820 1.00 1.12 H new ATOM 0 HE22 GLN A 127 9.638 11.974 2.867 1.00 1.12 H new ATOM 1481 N MET A 128 2.945 11.927 3.286 1.00 0.65 N ATOM 1482 CA MET A 128 1.494 12.009 3.406 1.00 0.60 C ATOM 1483 C MET A 128 0.964 11.667 4.798 1.00 0.54 C ATOM 1484 O MET A 128 -0.076 12.183 5.204 1.00 0.56 O ATOM 1485 CB MET A 128 0.889 11.043 2.401 1.00 0.57 C ATOM 1486 CG MET A 128 1.197 11.413 0.951 1.00 0.67 C ATOM 1487 SD MET A 128 0.262 10.411 -0.221 1.00 0.71 S ATOM 1488 CE MET A 128 -1.346 11.154 0.096 1.00 0.64 C ATOM 0 H MET A 128 3.253 11.168 2.678 1.00 0.65 H new ATOM 0 HA MET A 128 1.211 13.045 3.217 1.00 0.60 H new ATOM 0 HB2 MET A 128 1.264 10.039 2.601 1.00 0.57 H new ATOM 0 HB3 MET A 128 -0.192 11.013 2.540 1.00 0.57 H new ATOM 0 HG2 MET A 128 0.967 12.466 0.790 1.00 0.67 H new ATOM 0 HG3 MET A 128 2.263 11.287 0.764 1.00 0.67 H new ATOM 0 HE1 MET A 128 -2.006 10.414 0.550 1.00 0.64 H new ATOM 0 HE2 MET A 128 -1.229 12.000 0.774 1.00 0.64 H new ATOM 0 HE3 MET A 128 -1.779 11.499 -0.843 1.00 0.64 H new ATOM 1498 N HIS A 129 1.674 10.815 5.539 1.00 0.51 N ATOM 1499 CA HIS A 129 1.388 10.538 6.960 1.00 0.50 C ATOM 1500 C HIS A 129 1.400 11.817 7.784 1.00 0.60 C ATOM 1501 O HIS A 129 0.528 12.075 8.609 1.00 0.60 O ATOM 1502 CB HIS A 129 2.481 9.656 7.564 1.00 0.53 C ATOM 1503 CG HIS A 129 2.194 9.132 8.948 1.00 0.55 C ATOM 1504 ND1 HIS A 129 1.042 8.563 9.447 1.00 0.51 N ATOM 1505 CD2 HIS A 129 3.096 9.145 9.966 1.00 0.63 C ATOM 1506 CE1 HIS A 129 1.287 8.176 10.710 1.00 0.58 C ATOM 1507 NE2 HIS A 129 2.539 8.503 11.078 1.00 0.66 N ATOM 0 H HIS A 129 2.470 10.291 5.174 1.00 0.51 H new ATOM 0 HA HIS A 129 0.410 10.057 6.988 1.00 0.50 H new ATOM 0 HB2 HIS A 129 2.649 8.808 6.900 1.00 0.53 H new ATOM 0 HB3 HIS A 129 3.410 10.226 7.594 1.00 0.53 H new ATOM 0 HD2 HIS A 129 4.083 9.581 9.923 1.00 0.63 H new ATOM 0 HE1 HIS A 129 0.574 7.670 11.345 1.00 0.58 H new ATOM 0 HE2 HIS A 129 2.987 8.322 11.976 1.00 0.66 H new ATOM 1515 N GLN A 130 2.475 12.566 7.577 1.00 0.69 N ATOM 1516 CA GLN A 130 2.973 13.555 8.509 1.00 0.78 C ATOM 1517 C GLN A 130 2.403 14.952 8.188 1.00 0.81 C ATOM 1518 O GLN A 130 2.307 15.813 9.060 1.00 0.95 O ATOM 1519 CB GLN A 130 4.497 13.434 8.524 1.00 0.84 C ATOM 1520 CG GLN A 130 4.990 12.017 8.796 1.00 0.81 C ATOM 1521 CD GLN A 130 6.329 11.982 9.529 1.00 0.92 C ATOM 1522 OE1 GLN A 130 6.402 11.717 10.724 1.00 1.06 O ATOM 1523 NE2 GLN A 130 7.421 12.269 8.856 1.00 0.98 N ATOM 0 H GLN A 130 3.038 12.496 6.729 1.00 0.69 H new ATOM 0 HA GLN A 130 2.630 13.382 9.529 1.00 0.78 H new ATOM 0 HB2 GLN A 130 4.890 13.769 7.564 1.00 0.84 H new ATOM 0 HB3 GLN A 130 4.900 14.103 9.285 1.00 0.84 H new ATOM 0 HG2 GLN A 130 4.244 11.486 9.387 1.00 0.81 H new ATOM 0 HG3 GLN A 130 5.086 11.484 7.850 1.00 0.81 H new ATOM 0 HE21 GLN A 130 7.364 12.490 7.862 1.00 0.98 H new ATOM 0 HE22 GLN A 130 8.325 12.271 9.328 1.00 0.98 H new ATOM 1532 N ASN A 131 1.937 15.138 6.945 1.00 0.73 N ATOM 1533 CA ASN A 131 0.977 16.169 6.539 1.00 0.71 C ATOM 1534 C ASN A 131 -0.493 15.734 6.796 1.00 0.70 C ATOM 1535 O ASN A 131 -1.348 16.571 7.092 1.00 0.80 O ATOM 1536 CB ASN A 131 1.311 16.583 5.093 1.00 0.75 C ATOM 1537 CG ASN A 131 0.185 16.283 4.142 1.00 1.35 C ATOM 1538 OD1 ASN A 131 0.018 15.162 3.684 1.00 3.16 O ATOM 1539 ND2 ASN A 131 -0.673 17.234 3.895 1.00 1.08 N ATOM 0 H ASN A 131 2.232 14.550 6.165 1.00 0.73 H new ATOM 0 HA ASN A 131 1.070 17.061 7.159 1.00 0.71 H new ATOM 0 HB2 ASN A 131 1.534 17.650 5.065 1.00 0.75 H new ATOM 0 HB3 ASN A 131 2.210 16.061 4.766 1.00 0.75 H new ATOM 0 HD21 ASN A 131 -1.491 17.045 3.316 1.00 1.08 H new ATOM 0 HD22 ASN A 131 -0.526 18.167 4.281 1.00 1.08 H new ATOM 1546 N GLY A 132 -0.813 14.435 6.734 1.00 0.65 N ATOM 1547 CA GLY A 132 -2.125 13.888 7.101 1.00 0.65 C ATOM 1548 C GLY A 132 -3.107 13.794 5.934 1.00 0.55 C ATOM 1549 O GLY A 132 -4.310 13.659 6.151 1.00 0.54 O ATOM 0 H GLY A 132 -0.154 13.722 6.421 1.00 0.65 H new ATOM 0 HA2 GLY A 132 -1.987 12.894 7.527 1.00 0.65 H new ATOM 0 HA3 GLY A 132 -2.562 14.511 7.881 1.00 0.65 H new ATOM 1553 N ASP A 133 -2.622 13.806 4.693 1.00 0.56 N ATOM 1554 CA ASP A 133 -3.442 13.540 3.507 1.00 0.60 C ATOM 1555 C ASP A 133 -3.927 12.079 3.453 1.00 0.54 C ATOM 1556 O ASP A 133 -4.874 11.782 2.720 1.00 0.67 O ATOM 1557 CB ASP A 133 -2.626 13.853 2.244 1.00 0.81 C ATOM 1558 CG ASP A 133 -2.553 15.333 1.851 1.00 0.70 C ATOM 1559 OD1 ASP A 133 -3.023 16.236 2.591 1.00 1.81 O ATOM 1560 OD2 ASP A 133 -1.987 15.596 0.763 1.00 1.90 O ATOM 0 H ASP A 133 -1.644 14.001 4.479 1.00 0.56 H new ATOM 0 HA ASP A 133 -4.323 14.180 3.562 1.00 0.60 H new ATOM 0 HB2 ASP A 133 -1.611 13.484 2.389 1.00 0.81 H new ATOM 0 HB3 ASP A 133 -3.052 13.295 1.410 1.00 0.81 H new ATOM 1565 N LEU A 134 -3.343 11.164 4.247 1.00 0.43 N ATOM 1566 CA LEU A 134 -3.771 9.757 4.271 1.00 0.40 C ATOM 1567 C LEU A 134 -5.118 9.629 4.972 1.00 0.44 C ATOM 1568 O LEU A 134 -5.914 8.747 4.688 1.00 0.46 O ATOM 1569 CB LEU A 134 -2.749 8.873 5.015 1.00 0.37 C ATOM 1570 CG LEU A 134 -1.340 8.839 4.416 1.00 0.40 C ATOM 1571 CD1 LEU A 134 -0.454 7.869 5.194 1.00 0.41 C ATOM 1572 CD2 LEU A 134 -1.342 8.427 2.949 1.00 0.44 C ATOM 0 H LEU A 134 -2.572 11.376 4.881 1.00 0.43 H new ATOM 0 HA LEU A 134 -3.849 9.422 3.237 1.00 0.40 H new ATOM 0 HB2 LEU A 134 -2.677 9.221 6.045 1.00 0.37 H new ATOM 0 HB3 LEU A 134 -3.134 7.854 5.049 1.00 0.37 H new ATOM 0 HG LEU A 134 -0.948 9.854 4.487 1.00 0.40 H new ATOM 0 HD11 LEU A 134 0.544 7.856 4.756 1.00 0.41 H new ATOM 0 HD12 LEU A 134 -0.390 8.189 6.234 1.00 0.41 H new ATOM 0 HD13 LEU A 134 -0.883 6.868 5.148 1.00 0.41 H new ATOM 0 HD21 LEU A 134 -0.319 8.419 2.572 1.00 0.44 H new ATOM 0 HD22 LEU A 134 -1.773 7.431 2.852 1.00 0.44 H new ATOM 0 HD23 LEU A 134 -1.935 9.137 2.373 1.00 0.44 H new ATOM 1584 N VAL A 135 -5.350 10.548 5.899 1.00 0.47 N ATOM 1585 CA VAL A 135 -6.483 10.602 6.810 1.00 0.49 C ATOM 1586 C VAL A 135 -7.742 10.998 6.052 1.00 0.56 C ATOM 1587 O VAL A 135 -8.808 10.428 6.265 1.00 0.62 O ATOM 1588 CB VAL A 135 -6.160 11.630 7.897 1.00 0.43 C ATOM 1589 CG1 VAL A 135 -7.059 11.460 9.094 1.00 0.45 C ATOM 1590 CG2 VAL A 135 -4.776 11.338 8.462 1.00 0.41 C ATOM 0 H VAL A 135 -4.708 11.327 6.043 1.00 0.47 H new ATOM 0 HA VAL A 135 -6.660 9.626 7.262 1.00 0.49 H new ATOM 0 HB VAL A 135 -6.262 12.614 7.438 1.00 0.43 H new ATOM 0 HG11 VAL A 135 -6.805 12.204 9.849 1.00 0.45 H new ATOM 0 HG12 VAL A 135 -8.098 11.591 8.790 1.00 0.45 H new ATOM 0 HG13 VAL A 135 -6.926 10.461 9.510 1.00 0.45 H new ATOM 0 HG21 VAL A 135 -4.538 12.066 9.237 1.00 0.41 H new ATOM 0 HG22 VAL A 135 -4.762 10.335 8.889 1.00 0.41 H new ATOM 0 HG23 VAL A 135 -4.036 11.403 7.664 1.00 0.41 H new ATOM 1600 N GLU A 136 -7.583 11.924 5.108 1.00 0.58 N ATOM 1601 CA GLU A 136 -8.615 12.361 4.174 1.00 0.64 C ATOM 1602 C GLU A 136 -8.915 11.271 3.150 1.00 0.63 C ATOM 1603 O GLU A 136 -10.075 10.970 2.890 1.00 0.79 O ATOM 1604 CB GLU A 136 -8.158 13.651 3.474 1.00 0.70 C ATOM 1605 CG GLU A 136 -7.657 14.724 4.448 1.00 1.13 C ATOM 1606 CD GLU A 136 -8.633 14.961 5.604 1.00 1.74 C ATOM 1607 OE1 GLU A 136 -9.820 15.272 5.342 1.00 2.13 O ATOM 1608 OE2 GLU A 136 -8.235 14.842 6.785 1.00 2.95 O ATOM 0 H GLU A 136 -6.696 12.408 4.969 1.00 0.58 H new ATOM 0 HA GLU A 136 -9.533 12.560 4.727 1.00 0.64 H new ATOM 0 HB2 GLU A 136 -7.363 13.411 2.768 1.00 0.70 H new ATOM 0 HB3 GLU A 136 -8.988 14.055 2.894 1.00 0.70 H new ATOM 0 HG2 GLU A 136 -6.689 14.424 4.849 1.00 1.13 H new ATOM 0 HG3 GLU A 136 -7.503 15.658 3.908 1.00 1.13 H new ATOM 1615 N GLU A 137 -7.881 10.608 2.629 1.00 0.54 N ATOM 1616 CA GLU A 137 -8.066 9.459 1.738 1.00 0.55 C ATOM 1617 C GLU A 137 -8.743 8.273 2.452 1.00 0.58 C ATOM 1618 O GLU A 137 -9.598 7.620 1.860 1.00 0.69 O ATOM 1619 CB GLU A 137 -6.726 9.078 1.079 1.00 0.57 C ATOM 1620 CG GLU A 137 -6.868 8.807 -0.430 1.00 0.91 C ATOM 1621 CD GLU A 137 -7.235 10.058 -1.250 1.00 0.83 C ATOM 1622 OE1 GLU A 137 -6.874 11.197 -0.872 1.00 1.79 O ATOM 1623 OE2 GLU A 137 -7.903 9.944 -2.306 1.00 1.52 O ATOM 0 H GLU A 137 -6.906 10.847 2.808 1.00 0.54 H new ATOM 0 HA GLU A 137 -8.754 9.747 0.943 1.00 0.55 H new ATOM 0 HB2 GLU A 137 -6.007 9.882 1.235 1.00 0.57 H new ATOM 0 HB3 GLU A 137 -6.323 8.191 1.568 1.00 0.57 H new ATOM 0 HG2 GLU A 137 -5.931 8.398 -0.807 1.00 0.91 H new ATOM 0 HG3 GLU A 137 -7.632 8.045 -0.583 1.00 0.91 H new ATOM 1630 N LEU A 138 -8.474 8.051 3.748 1.00 0.53 N ATOM 1631 CA LEU A 138 -9.221 7.087 4.566 1.00 0.56 C ATOM 1632 C LEU A 138 -10.691 7.513 4.751 1.00 0.61 C ATOM 1633 O LEU A 138 -11.583 6.681 4.578 1.00 0.65 O ATOM 1634 CB LEU A 138 -8.498 6.889 5.916 1.00 0.55 C ATOM 1635 CG LEU A 138 -7.239 6.000 5.856 1.00 0.55 C ATOM 1636 CD1 LEU A 138 -6.490 6.084 7.189 1.00 0.58 C ATOM 1637 CD2 LEU A 138 -7.563 4.527 5.597 1.00 0.56 C ATOM 0 H LEU A 138 -7.734 8.535 4.256 1.00 0.53 H new ATOM 0 HA LEU A 138 -9.249 6.130 4.046 1.00 0.56 H new ATOM 0 HB2 LEU A 138 -8.216 7.867 6.307 1.00 0.55 H new ATOM 0 HB3 LEU A 138 -9.200 6.452 6.626 1.00 0.55 H new ATOM 0 HG LEU A 138 -6.636 6.371 5.027 1.00 0.55 H new ATOM 0 HD11 LEU A 138 -5.600 5.456 7.147 1.00 0.58 H new ATOM 0 HD12 LEU A 138 -6.196 7.117 7.377 1.00 0.58 H new ATOM 0 HD13 LEU A 138 -7.140 5.739 7.994 1.00 0.58 H new ATOM 0 HD21 LEU A 138 -6.638 3.951 5.565 1.00 0.56 H new ATOM 0 HD22 LEU A 138 -8.199 4.148 6.397 1.00 0.56 H new ATOM 0 HD23 LEU A 138 -8.083 4.431 4.644 1.00 0.56 H new ATOM 1649 N LYS A 139 -10.970 8.803 5.006 1.00 0.64 N ATOM 1650 CA LYS A 139 -12.347 9.333 5.128 1.00 0.74 C ATOM 1651 C LYS A 139 -13.168 9.139 3.842 1.00 0.80 C ATOM 1652 O LYS A 139 -14.368 8.886 3.952 1.00 0.87 O ATOM 1653 CB LYS A 139 -12.340 10.821 5.542 1.00 0.82 C ATOM 1654 CG LYS A 139 -11.895 11.081 6.990 1.00 0.88 C ATOM 1655 CD LYS A 139 -11.591 12.575 7.189 1.00 0.64 C ATOM 1656 CE LYS A 139 -10.703 12.826 8.411 1.00 0.59 C ATOM 1657 NZ LYS A 139 -10.350 14.261 8.512 1.00 0.77 N ATOM 0 H LYS A 139 -10.248 9.512 5.134 1.00 0.64 H new ATOM 0 HA LYS A 139 -12.831 8.754 5.914 1.00 0.74 H new ATOM 0 HB2 LYS A 139 -11.680 11.368 4.869 1.00 0.82 H new ATOM 0 HB3 LYS A 139 -13.342 11.227 5.405 1.00 0.82 H new ATOM 0 HG2 LYS A 139 -12.677 10.766 7.681 1.00 0.88 H new ATOM 0 HG3 LYS A 139 -11.009 10.488 7.219 1.00 0.88 H new ATOM 0 HD2 LYS A 139 -11.099 12.966 6.298 1.00 0.64 H new ATOM 0 HD3 LYS A 139 -12.527 13.123 7.303 1.00 0.64 H new ATOM 0 HE2 LYS A 139 -11.222 12.509 9.316 1.00 0.59 H new ATOM 0 HE3 LYS A 139 -9.795 12.227 8.337 1.00 0.59 H new ATOM 0 HZ1 LYS A 139 -10.150 14.500 9.504 1.00 0.77 H new ATOM 0 HZ2 LYS A 139 -9.508 14.453 7.933 1.00 0.77 H new ATOM 0 HZ3 LYS A 139 -11.144 14.839 8.170 1.00 0.77 H new ATOM 1671 N LYS A 140 -12.556 9.157 2.647 1.00 0.79 N ATOM 1672 CA LYS A 140 -13.229 8.871 1.358 1.00 0.84 C ATOM 1673 C LYS A 140 -13.726 7.425 1.242 1.00 0.82 C ATOM 1674 O LYS A 140 -14.746 7.197 0.597 1.00 0.91 O ATOM 1675 CB LYS A 140 -12.294 9.217 0.185 1.00 0.91 C ATOM 1676 CG LYS A 140 -11.982 10.720 0.126 1.00 1.04 C ATOM 1677 CD LYS A 140 -10.840 11.045 -0.843 1.00 1.18 C ATOM 1678 CE LYS A 140 -10.225 12.397 -0.471 1.00 1.97 C ATOM 1679 NZ LYS A 140 -9.173 12.803 -1.434 1.00 2.17 N ATOM 0 H LYS A 140 -11.565 9.373 2.542 1.00 0.79 H new ATOM 0 HA LYS A 140 -14.116 9.503 1.319 1.00 0.84 H new ATOM 0 HB2 LYS A 140 -11.364 8.657 0.284 1.00 0.91 H new ATOM 0 HB3 LYS A 140 -12.756 8.905 -0.752 1.00 0.91 H new ATOM 0 HG2 LYS A 140 -12.877 11.262 -0.178 1.00 1.04 H new ATOM 0 HG3 LYS A 140 -11.719 11.073 1.123 1.00 1.04 H new ATOM 0 HD2 LYS A 140 -10.081 10.264 -0.802 1.00 1.18 H new ATOM 0 HD3 LYS A 140 -11.214 11.073 -1.867 1.00 1.18 H new ATOM 0 HE2 LYS A 140 -11.006 13.157 -0.443 1.00 1.97 H new ATOM 0 HE3 LYS A 140 -9.799 12.340 0.531 1.00 1.97 H new ATOM 0 HZ1 LYS A 140 -9.078 13.839 -1.428 1.00 2.17 H new ATOM 0 HZ2 LYS A 140 -8.267 12.371 -1.161 1.00 2.17 H new ATOM 0 HZ3 LYS A 140 -9.435 12.485 -2.389 1.00 2.17 H new ATOM 1693 N LEU A 141 -13.086 6.469 1.925 1.00 0.78 N ATOM 1694 CA LEU A 141 -13.552 5.089 2.082 1.00 0.79 C ATOM 1695 C LEU A 141 -14.512 4.899 3.280 1.00 0.81 C ATOM 1696 O LEU A 141 -14.973 3.785 3.555 1.00 0.93 O ATOM 1697 CB LEU A 141 -12.309 4.188 2.212 1.00 0.77 C ATOM 1698 CG LEU A 141 -11.618 3.712 0.919 1.00 0.72 C ATOM 1699 CD1 LEU A 141 -12.561 2.957 -0.016 1.00 1.22 C ATOM 1700 CD2 LEU A 141 -10.939 4.850 0.162 1.00 1.25 C ATOM 0 H LEU A 141 -12.200 6.642 2.399 1.00 0.78 H new ATOM 0 HA LEU A 141 -14.140 4.816 1.206 1.00 0.79 H new ATOM 0 HB2 LEU A 141 -11.570 4.724 2.807 1.00 0.77 H new ATOM 0 HB3 LEU A 141 -12.596 3.304 2.781 1.00 0.77 H new ATOM 0 HG LEU A 141 -10.848 3.017 1.253 1.00 0.72 H new ATOM 0 HD11 LEU A 141 -12.017 2.647 -0.909 1.00 1.22 H new ATOM 0 HD12 LEU A 141 -12.952 2.077 0.494 1.00 1.22 H new ATOM 0 HD13 LEU A 141 -13.388 3.607 -0.302 1.00 1.22 H new ATOM 0 HD21 LEU A 141 -10.469 4.458 -0.740 1.00 1.25 H new ATOM 0 HD22 LEU A 141 -11.682 5.599 -0.113 1.00 1.25 H new ATOM 0 HD23 LEU A 141 -10.180 5.308 0.797 1.00 1.25 H new ATOM 1712 N GLY A 142 -14.773 5.970 4.032 1.00 0.74 N ATOM 1713 CA GLY A 142 -15.500 5.969 5.306 1.00 0.73 C ATOM 1714 C GLY A 142 -14.640 5.615 6.528 1.00 0.62 C ATOM 1715 O GLY A 142 -15.156 5.621 7.647 1.00 0.74 O ATOM 0 H GLY A 142 -14.470 6.905 3.758 1.00 0.74 H new ATOM 0 HA2 GLY A 142 -15.940 6.954 5.460 1.00 0.73 H new ATOM 0 HA3 GLY A 142 -16.324 5.259 5.239 1.00 0.73 H new ATOM 1719 N ILE A 143 -13.346 5.317 6.354 1.00 0.54 N ATOM 1720 CA ILE A 143 -12.486 4.799 7.426 1.00 0.52 C ATOM 1721 C ILE A 143 -12.030 5.911 8.380 1.00 0.50 C ATOM 1722 O ILE A 143 -11.522 6.964 7.983 1.00 0.56 O ATOM 1723 CB ILE A 143 -11.283 3.971 6.907 1.00 0.55 C ATOM 1724 CG1 ILE A 143 -11.697 2.816 5.961 1.00 0.60 C ATOM 1725 CG2 ILE A 143 -10.536 3.416 8.141 1.00 0.58 C ATOM 1726 CD1 ILE A 143 -10.529 2.150 5.206 1.00 0.63 C ATOM 0 H ILE A 143 -12.864 5.429 5.462 1.00 0.54 H new ATOM 0 HA ILE A 143 -13.109 4.106 7.992 1.00 0.52 H new ATOM 0 HB ILE A 143 -10.644 4.622 6.310 1.00 0.55 H new ATOM 0 HG12 ILE A 143 -12.215 2.055 6.544 1.00 0.60 H new ATOM 0 HG13 ILE A 143 -12.411 3.200 5.232 1.00 0.60 H new ATOM 0 HG21 ILE A 143 -9.680 2.826 7.813 1.00 0.58 H new ATOM 0 HG22 ILE A 143 -10.190 4.244 8.760 1.00 0.58 H new ATOM 0 HG23 ILE A 143 -11.210 2.786 8.721 1.00 0.58 H new ATOM 0 HD11 ILE A 143 -10.914 1.354 4.569 1.00 0.63 H new ATOM 0 HD12 ILE A 143 -10.022 2.894 4.591 1.00 0.63 H new ATOM 0 HD13 ILE A 143 -9.824 1.731 5.924 1.00 0.63 H new ATOM 1738 N HIS A 144 -12.150 5.601 9.665 1.00 0.51 N ATOM 1739 CA HIS A 144 -11.674 6.362 10.811 1.00 0.54 C ATOM 1740 C HIS A 144 -10.203 6.061 11.117 1.00 0.53 C ATOM 1741 O HIS A 144 -9.862 4.950 11.527 1.00 0.58 O ATOM 1742 CB HIS A 144 -12.571 5.913 11.963 1.00 0.68 C ATOM 1743 CG HIS A 144 -12.448 6.699 13.240 1.00 0.95 C ATOM 1744 ND1 HIS A 144 -12.927 7.966 13.469 1.00 1.20 N ATOM 1745 CD2 HIS A 144 -11.938 6.243 14.424 1.00 1.22 C ATOM 1746 CE1 HIS A 144 -12.714 8.270 14.760 1.00 1.42 C ATOM 1747 NE2 HIS A 144 -12.130 7.238 15.395 1.00 1.45 N ATOM 0 H HIS A 144 -12.620 4.743 9.954 1.00 0.51 H new ATOM 0 HA HIS A 144 -11.723 7.436 10.634 1.00 0.54 H new ATOM 0 HB2 HIS A 144 -13.608 5.960 11.629 1.00 0.68 H new ATOM 0 HB3 HIS A 144 -12.353 4.867 12.181 1.00 0.68 H new ATOM 0 HD2 HIS A 144 -11.469 5.284 14.584 1.00 1.22 H new ATOM 0 HE1 HIS A 144 -12.975 9.210 15.223 1.00 1.42 H new ATOM 0 HE2 HIS A 144 -11.878 7.189 16.382 1.00 1.45 H new ATOM 1755 N SER A 145 -9.322 7.048 10.964 1.00 0.52 N ATOM 1756 CA SER A 145 -7.989 7.013 11.560 1.00 0.54 C ATOM 1757 C SER A 145 -8.057 6.982 13.100 1.00 0.58 C ATOM 1758 O SER A 145 -8.826 7.686 13.739 1.00 0.70 O ATOM 1759 CB SER A 145 -7.189 8.205 11.017 1.00 0.56 C ATOM 1760 OG SER A 145 -6.192 8.644 11.920 1.00 0.53 O ATOM 0 H SER A 145 -9.512 7.892 10.424 1.00 0.52 H new ATOM 0 HA SER A 145 -7.476 6.093 11.281 1.00 0.54 H new ATOM 0 HB2 SER A 145 -6.722 7.925 10.073 1.00 0.56 H new ATOM 0 HB3 SER A 145 -7.870 9.029 10.804 1.00 0.56 H new ATOM 0 HG SER A 145 -5.312 8.578 11.493 1.00 0.53 H new ATOM 1766 N ALA A 146 -7.192 6.196 13.723 1.00 0.65 N ATOM 1767 CA ALA A 146 -6.993 6.106 15.173 1.00 0.77 C ATOM 1768 C ALA A 146 -6.232 7.317 15.765 1.00 0.82 C ATOM 1769 O ALA A 146 -6.045 7.404 16.979 1.00 1.20 O ATOM 1770 CB ALA A 146 -6.314 4.770 15.488 1.00 0.78 C ATOM 0 H ALA A 146 -6.574 5.568 13.209 1.00 0.65 H new ATOM 0 HA ALA A 146 -7.967 6.141 15.661 1.00 0.77 H new ATOM 0 HB1 ALA A 146 -6.158 4.686 16.563 1.00 0.78 H new ATOM 0 HB2 ALA A 146 -6.948 3.951 15.148 1.00 0.78 H new ATOM 0 HB3 ALA A 146 -5.352 4.721 14.977 1.00 0.78 H new ATOM 1776 N LEU A 147 -5.789 8.263 14.921 1.00 0.55 N ATOM 1777 CA LEU A 147 -5.178 9.522 15.290 1.00 0.57 C ATOM 1778 C LEU A 147 -6.193 10.685 15.330 1.00 0.61 C ATOM 1779 O LEU A 147 -5.857 11.776 15.796 1.00 0.75 O ATOM 1780 CB LEU A 147 -4.041 9.766 14.289 1.00 0.55 C ATOM 1781 CG LEU A 147 -3.008 8.645 14.069 1.00 0.58 C ATOM 1782 CD1 LEU A 147 -1.780 9.187 13.338 1.00 0.61 C ATOM 1783 CD2 LEU A 147 -2.546 8.019 15.376 1.00 0.62 C ATOM 0 H LEU A 147 -5.858 8.150 13.910 1.00 0.55 H new ATOM 0 HA LEU A 147 -4.788 9.473 16.307 1.00 0.57 H new ATOM 0 HB2 LEU A 147 -4.492 9.997 13.324 1.00 0.55 H new ATOM 0 HB3 LEU A 147 -3.501 10.657 14.610 1.00 0.55 H new ATOM 0 HG LEU A 147 -3.505 7.881 13.472 1.00 0.58 H new ATOM 0 HD11 LEU A 147 -1.060 8.382 13.190 1.00 0.61 H new ATOM 0 HD12 LEU A 147 -2.080 9.587 12.370 1.00 0.61 H new ATOM 0 HD13 LEU A 147 -1.323 9.979 13.932 1.00 0.61 H new ATOM 0 HD21 LEU A 147 -1.819 7.235 15.167 1.00 0.62 H new ATOM 0 HD22 LEU A 147 -2.086 8.783 16.003 1.00 0.62 H new ATOM 0 HD23 LEU A 147 -3.402 7.590 15.897 1.00 0.62 H new ATOM 1795 N LEU A 148 -7.443 10.455 14.895 1.00 0.59 N ATOM 1796 CA LEU A 148 -8.559 11.408 14.981 1.00 0.66 C ATOM 1797 C LEU A 148 -8.811 11.911 16.419 1.00 0.89 C ATOM 1798 O LEU A 148 -9.321 13.020 16.617 1.00 1.13 O ATOM 1799 CB LEU A 148 -9.846 10.750 14.442 1.00 0.68 C ATOM 1800 CG LEU A 148 -10.215 11.218 13.017 1.00 0.89 C ATOM 1801 CD1 LEU A 148 -9.728 10.195 12.040 1.00 2.08 C ATOM 1802 CD2 LEU A 148 -11.703 11.489 12.826 1.00 2.17 C ATOM 0 H LEU A 148 -7.712 9.572 14.460 1.00 0.59 H new ATOM 0 HA LEU A 148 -8.284 12.273 14.377 1.00 0.66 H new ATOM 0 HB2 LEU A 148 -9.720 9.667 14.441 1.00 0.68 H new ATOM 0 HB3 LEU A 148 -10.672 10.975 15.117 1.00 0.68 H new ATOM 0 HG LEU A 148 -9.727 12.177 12.846 1.00 0.89 H new ATOM 0 HD11 LEU A 148 -9.980 10.510 11.027 1.00 2.08 H new ATOM 0 HD12 LEU A 148 -8.646 10.093 12.129 1.00 2.08 H new ATOM 0 HD13 LEU A 148 -10.202 9.236 12.251 1.00 2.08 H new ATOM 0 HD21 LEU A 148 -11.885 11.813 11.801 1.00 2.17 H new ATOM 0 HD22 LEU A 148 -12.267 10.578 13.024 1.00 2.17 H new ATOM 0 HD23 LEU A 148 -12.022 12.270 13.516 1.00 2.17 H new ATOM 1814 N ASP A 149 -8.468 11.099 17.423 1.00 1.06 N ATOM 1815 CA ASP A 149 -8.660 11.367 18.855 1.00 1.53 C ATOM 1816 C ASP A 149 -7.512 12.144 19.530 1.00 1.82 C ATOM 1817 O ASP A 149 -7.362 12.158 20.749 1.00 2.29 O ATOM 1818 CB ASP A 149 -9.022 10.056 19.563 1.00 2.12 C ATOM 1819 CG ASP A 149 -9.551 10.264 20.982 1.00 2.85 C ATOM 1820 OD1 ASP A 149 -10.376 11.189 21.189 1.00 2.89 O ATOM 1821 OD2 ASP A 149 -9.169 9.493 21.897 1.00 3.85 O ATOM 0 H ASP A 149 -8.028 10.194 17.254 1.00 1.06 H new ATOM 0 HA ASP A 149 -9.493 12.063 18.953 1.00 1.53 H new ATOM 0 HB2 ASP A 149 -9.774 9.529 18.976 1.00 2.12 H new ATOM 0 HB3 ASP A 149 -8.141 9.416 19.601 1.00 2.12 H new ATOM 1826 N GLU A 150 -6.703 12.826 18.726 1.00 1.85 N ATOM 1827 CA GLU A 150 -5.738 13.853 19.137 1.00 2.63 C ATOM 1828 C GLU A 150 -6.439 15.121 19.644 1.00 2.87 C ATOM 1829 O GLU A 150 -6.144 15.576 20.770 1.00 3.36 O ATOM 1830 CB GLU A 150 -4.802 14.089 17.937 1.00 3.38 C ATOM 1831 CG GLU A 150 -3.724 15.136 18.211 1.00 4.69 C ATOM 1832 CD GLU A 150 -2.624 15.146 17.130 1.00 5.65 C ATOM 1833 OE1 GLU A 150 -2.943 15.200 15.916 1.00 6.74 O ATOM 1834 OE2 GLU A 150 -1.413 15.100 17.468 1.00 5.88 O ATOM 0 H GLU A 150 -6.698 12.673 17.717 1.00 1.85 H new ATOM 0 HA GLU A 150 -5.145 13.525 19.991 1.00 2.63 H new ATOM 0 HB2 GLU A 150 -4.324 13.147 17.667 1.00 3.38 H new ATOM 0 HB3 GLU A 150 -5.395 14.404 17.078 1.00 3.38 H new ATOM 0 HG2 GLU A 150 -4.185 16.122 18.265 1.00 4.69 H new ATOM 0 HG3 GLU A 150 -3.272 14.942 19.184 1.00 4.69 H new