USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 919 hydrogens (12 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 81 LYS NZ :NH3+ -166:sc= -1.41! (180deg=-0.524!) USER MOD Set 1.2: A 82 LYS NZ :NH3+ -101:sc= -1.18 (180deg=-2.49!) USER MOD Set 2.1: A 21 LYS NZ :NH3+ 173:sc= -8.76! (180deg=-1.84) USER MOD Set 2.2: A 51 ASN : amide:sc= -8.49! C(o=-17!,f=-11!) USER MOD Set 3.1: A 8 LYS NZ :NH3+ -161:sc= -0.109 (180deg=-0.773) USER MOD Set 3.2: A 12 GLN : amide:sc= -0.0261 K(o=-0.13,f=-1.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= -0.0312 (180deg=-0.719) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 46:sc= 0.46 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -127:sc= -0.912 (180deg=-2.38!) USER MOD Single : A 43 HIS : no HD1:sc= -0.525 X(o=-0.52,f=-0.064) USER MOD Single : A 44 SER OG : rot 152:sc= 0.725 USER MOD Single : A 46 SER OG : rot 91:sc= 1.09 USER MOD Single : A 48 LYS NZ :NH3+ -131:sc= -1.33 (180deg=-3.47!) USER MOD Single : A 49 TYR OH : rot -178:sc= 0.017 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.00102 X(o=0.001,f=-0.27) USER MOD Single : A 67 SER OG : rot 100:sc= 1.29 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.818 USER MOD Single : A 76 THR OG1 : rot -35:sc= -1.47! USER MOD Single : A 78 GLN : amide:sc= -2.98! C(o=-3!,f=-3.2!) USER MOD Single : A 84 GLN : amide:sc= -3.14! K(o=-3.1!,f=-0.39) USER MOD Single : A 85 LYS NZ :NH3+ -136:sc= -1.98 (180deg=-4.4!) USER MOD Single : A 90 SER OG : rot 106:sc= 0.991 USER MOD Single : A 93 ASN : amide:sc= -1.01 K(o=-1,f=-5.5!) USER MOD Single : A 94 LYS NZ :NH3+ -113:sc= 1.53 (180deg=-0.577!) USER MOD Single : A 96 LYS NZ :NH3+ -148:sc= -0.302 (180deg=-1.46!) USER MOD Single : A 100 THR OG1 : rot 73:sc= 0.687 USER MOD Single : A 102 ASN : amide:sc= -0.863 K(o=-0.86,f=-1.8!) USER MOD Single : B 1 PHE N :NH3+ -153:sc= 0.233 (180deg=0.0417) USER MOD Single : B 5 TYR OH : rot 12:sc= -1.9 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 12 HIS : no HD1:sc= -2.44! K(o=-2.4!,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.298 -1.490 8.839 1.00 0.73 N ATOM 2 CA MET A 1 -6.137 -2.117 9.533 1.00 0.31 C ATOM 3 C MET A 1 -4.913 -2.076 8.613 1.00 0.24 C ATOM 4 O MET A 1 -4.990 -2.401 7.445 1.00 0.21 O ATOM 5 CB MET A 1 -6.479 -3.572 9.884 1.00 0.70 C ATOM 6 CG MET A 1 -7.301 -4.201 8.754 1.00 1.55 C ATOM 7 SD MET A 1 -7.202 -6.006 8.868 1.00 2.25 S ATOM 8 CE MET A 1 -8.688 -6.263 9.868 1.00 2.89 C ATOM 0 H1 MET A 1 -8.181 -1.791 9.298 1.00 0.73 H new ATOM 0 H2 MET A 1 -7.216 -0.455 8.892 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.308 -1.786 7.842 1.00 0.73 H new ATOM 0 HA MET A 1 -5.916 -1.570 10.449 1.00 0.31 H new ATOM 0 HB2 MET A 1 -5.563 -4.142 10.041 1.00 0.70 H new ATOM 0 HB3 MET A 1 -7.041 -3.608 10.818 1.00 0.70 H new ATOM 0 HG2 MET A 1 -8.340 -3.878 8.822 1.00 1.55 H new ATOM 0 HG3 MET A 1 -6.926 -3.866 7.787 1.00 1.55 H new ATOM 0 HE1 MET A 1 -8.818 -7.328 10.059 1.00 2.89 H new ATOM 0 HE2 MET A 1 -8.585 -5.734 10.816 1.00 2.89 H new ATOM 0 HE3 MET A 1 -9.557 -5.881 9.333 1.00 2.89 H new ATOM 20 N VAL A 2 -3.780 -1.679 9.134 1.00 0.24 N ATOM 21 CA VAL A 2 -2.543 -1.617 8.298 1.00 0.19 C ATOM 22 C VAL A 2 -1.753 -2.921 8.464 1.00 0.22 C ATOM 23 O VAL A 2 -2.027 -3.714 9.343 1.00 0.28 O ATOM 24 CB VAL A 2 -1.686 -0.428 8.752 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.352 -0.426 7.992 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.440 0.879 8.476 1.00 0.30 C ATOM 0 H VAL A 2 -3.658 -1.394 10.106 1.00 0.24 H new ATOM 0 HA VAL A 2 -2.811 -1.490 7.249 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.487 -0.514 9.820 1.00 0.20 H new ATOM 0 HG11 VAL A 2 0.252 0.421 8.319 1.00 0.18 H new ATOM 0 HG12 VAL A 2 0.184 -1.353 8.195 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.543 -0.344 6.922 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -1.832 1.725 8.798 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.643 0.964 7.408 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.382 0.879 9.025 1.00 0.30 H new ATOM 36 N LYS A 3 -0.777 -3.149 7.626 1.00 0.18 N ATOM 37 CA LYS A 3 0.035 -4.401 7.730 1.00 0.22 C ATOM 38 C LYS A 3 1.431 -4.130 7.171 1.00 0.16 C ATOM 39 O LYS A 3 1.589 -3.760 6.024 1.00 0.13 O ATOM 40 CB LYS A 3 -0.624 -5.518 6.910 1.00 0.26 C ATOM 41 CG LYS A 3 0.183 -6.825 7.019 1.00 0.34 C ATOM 42 CD LYS A 3 0.191 -7.334 8.471 1.00 0.81 C ATOM 43 CE LYS A 3 0.493 -8.838 8.500 1.00 1.37 C ATOM 44 NZ LYS A 3 -0.755 -9.604 8.216 1.00 1.97 N ATOM 0 H LYS A 3 -0.505 -2.521 6.870 1.00 0.18 H new ATOM 0 HA LYS A 3 0.098 -4.709 8.774 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.642 -5.683 7.264 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.695 -5.215 5.865 1.00 0.26 H new ATOM 0 HG2 LYS A 3 -0.249 -7.582 6.365 1.00 0.34 H new ATOM 0 HG3 LYS A 3 1.205 -6.657 6.681 1.00 0.34 H new ATOM 0 HD2 LYS A 3 0.940 -6.793 9.050 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.774 -7.140 8.938 1.00 0.81 H new ATOM 0 HE2 LYS A 3 1.257 -9.080 7.761 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.891 -9.121 9.474 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 -0.549 -10.623 8.236 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -1.471 -9.381 8.937 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -1.117 -9.342 7.277 1.00 1.97 H new ATOM 58 N GLN A 4 2.446 -4.309 7.968 1.00 0.18 N ATOM 59 CA GLN A 4 3.833 -4.062 7.483 1.00 0.15 C ATOM 60 C GLN A 4 4.399 -5.347 6.873 1.00 0.13 C ATOM 61 O GLN A 4 4.267 -6.423 7.424 1.00 0.14 O ATOM 62 CB GLN A 4 4.702 -3.617 8.664 1.00 0.20 C ATOM 63 CG GLN A 4 6.188 -3.677 8.280 1.00 0.21 C ATOM 64 CD GLN A 4 7.014 -2.861 9.277 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.598 -2.645 10.398 1.00 0.81 O ATOM 66 NE2 GLN A 4 8.179 -2.396 8.913 1.00 0.98 N ATOM 0 H GLN A 4 2.375 -4.617 8.938 1.00 0.18 H new ATOM 0 HA GLN A 4 3.827 -3.282 6.722 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.436 -2.602 8.959 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.515 -4.259 9.525 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.530 -4.712 8.272 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.329 -3.287 7.272 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.529 -2.577 7.972 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.739 -1.852 9.570 1.00 0.98 H new ATOM 75 N ILE A 5 5.038 -5.231 5.739 1.00 0.10 N ATOM 76 CA ILE A 5 5.639 -6.422 5.065 1.00 0.10 C ATOM 77 C ILE A 5 7.162 -6.324 5.190 1.00 0.10 C ATOM 78 O ILE A 5 7.793 -5.532 4.520 1.00 0.11 O ATOM 79 CB ILE A 5 5.261 -6.410 3.574 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.800 -5.948 3.377 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.457 -7.799 2.967 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.805 -6.891 4.070 1.00 0.19 C ATOM 0 H ILE A 5 5.171 -4.349 5.244 1.00 0.10 H new ATOM 0 HA ILE A 5 5.273 -7.339 5.526 1.00 0.10 H new ATOM 0 HB ILE A 5 5.916 -5.703 3.065 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.681 -4.940 3.773 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.574 -5.901 2.312 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.186 -7.776 1.912 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.501 -8.096 3.067 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.824 -8.517 3.489 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.789 -6.531 3.908 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.905 -7.894 3.655 1.00 0.19 H new ATOM 0 HD13 ILE A 5 3.014 -6.918 5.139 1.00 0.19 H new ATOM 94 N GLU A 6 7.757 -7.113 6.042 1.00 0.11 N ATOM 95 CA GLU A 6 9.239 -7.052 6.209 1.00 0.14 C ATOM 96 C GLU A 6 9.898 -8.161 5.383 1.00 0.14 C ATOM 97 O GLU A 6 11.106 -8.231 5.281 1.00 0.17 O ATOM 98 CB GLU A 6 9.584 -7.251 7.684 1.00 0.18 C ATOM 99 CG GLU A 6 8.722 -6.327 8.543 1.00 0.31 C ATOM 100 CD GLU A 6 9.270 -6.299 9.971 1.00 1.20 C ATOM 101 OE1 GLU A 6 9.266 -7.341 10.606 1.00 1.97 O ATOM 102 OE2 GLU A 6 9.683 -5.237 10.406 1.00 1.96 O ATOM 0 H GLU A 6 7.282 -7.798 6.630 1.00 0.11 H new ATOM 0 HA GLU A 6 9.604 -6.083 5.869 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.417 -8.290 7.970 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.640 -7.040 7.852 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.719 -5.321 8.124 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.689 -6.674 8.545 1.00 0.31 H new ATOM 109 N SER A 7 9.118 -9.027 4.789 1.00 0.13 N ATOM 110 CA SER A 7 9.713 -10.124 3.970 1.00 0.15 C ATOM 111 C SER A 7 8.720 -10.573 2.897 1.00 0.14 C ATOM 112 O SER A 7 7.523 -10.421 3.035 1.00 0.12 O ATOM 113 CB SER A 7 10.058 -11.304 4.874 1.00 0.20 C ATOM 114 OG SER A 7 8.937 -11.617 5.689 1.00 0.23 O ATOM 0 H SER A 7 8.099 -9.022 4.835 1.00 0.13 H new ATOM 0 HA SER A 7 10.618 -9.758 3.486 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.336 -12.169 4.272 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.918 -11.060 5.497 1.00 0.20 H new ATOM 0 HG SER A 7 9.156 -12.376 6.269 1.00 0.23 H new ATOM 120 N LYS A 8 9.217 -11.124 1.823 1.00 0.15 N ATOM 121 CA LYS A 8 8.321 -11.586 0.726 1.00 0.14 C ATOM 122 C LYS A 8 7.244 -12.524 1.279 1.00 0.14 C ATOM 123 O LYS A 8 6.143 -12.585 0.770 1.00 0.13 O ATOM 124 CB LYS A 8 9.156 -12.325 -0.326 1.00 0.17 C ATOM 125 CG LYS A 8 8.370 -12.420 -1.637 1.00 0.21 C ATOM 126 CD LYS A 8 9.010 -13.470 -2.546 1.00 0.22 C ATOM 127 CE LYS A 8 8.350 -13.417 -3.924 1.00 1.06 C ATOM 128 NZ LYS A 8 6.875 -13.280 -3.763 1.00 1.90 N ATOM 0 H LYS A 8 10.212 -11.275 1.658 1.00 0.15 H new ATOM 0 HA LYS A 8 7.833 -10.723 0.273 1.00 0.14 H new ATOM 0 HB2 LYS A 8 10.096 -11.800 -0.492 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.407 -13.324 0.031 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.333 -12.686 -1.432 1.00 0.21 H new ATOM 0 HG3 LYS A 8 8.358 -11.451 -2.136 1.00 0.21 H new ATOM 0 HD2 LYS A 8 10.081 -13.286 -2.636 1.00 0.22 H new ATOM 0 HD3 LYS A 8 8.893 -14.463 -2.112 1.00 0.22 H new ATOM 0 HE2 LYS A 8 8.744 -12.577 -4.496 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.583 -14.322 -4.486 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 6.402 -13.562 -4.645 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 6.552 -13.892 -2.986 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 6.640 -12.291 -3.545 1.00 1.90 H new ATOM 142 N THR A 9 7.550 -13.266 2.307 1.00 0.16 N ATOM 143 CA THR A 9 6.537 -14.203 2.872 1.00 0.18 C ATOM 144 C THR A 9 5.306 -13.425 3.344 1.00 0.16 C ATOM 145 O THR A 9 4.181 -13.829 3.123 1.00 0.17 O ATOM 146 CB THR A 9 7.143 -14.958 4.050 1.00 0.21 C ATOM 147 OG1 THR A 9 8.377 -15.540 3.656 1.00 0.24 O ATOM 148 CG2 THR A 9 6.181 -16.056 4.511 1.00 0.25 C ATOM 0 H THR A 9 8.454 -13.265 2.779 1.00 0.16 H new ATOM 0 HA THR A 9 6.237 -14.910 2.099 1.00 0.18 H new ATOM 0 HB THR A 9 7.315 -14.264 4.873 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.767 -16.024 4.414 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.618 -16.593 5.353 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.237 -15.607 4.818 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.002 -16.751 3.691 1.00 0.25 H new ATOM 156 N ALA A 10 5.510 -12.317 3.998 1.00 0.16 N ATOM 157 CA ALA A 10 4.355 -11.514 4.494 1.00 0.17 C ATOM 158 C ALA A 10 3.619 -10.874 3.309 1.00 0.15 C ATOM 159 O ALA A 10 2.448 -10.561 3.394 1.00 0.17 O ATOM 160 CB ALA A 10 4.871 -10.428 5.449 1.00 0.20 C ATOM 0 H ALA A 10 6.429 -11.930 4.212 1.00 0.16 H new ATOM 0 HA ALA A 10 3.658 -12.161 5.027 1.00 0.17 H new ATOM 0 HB1 ALA A 10 4.032 -9.837 5.815 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.380 -10.896 6.291 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.568 -9.779 4.919 1.00 0.20 H new ATOM 166 N PHE A 11 4.288 -10.675 2.205 1.00 0.12 N ATOM 167 CA PHE A 11 3.611 -10.054 1.027 1.00 0.11 C ATOM 168 C PHE A 11 2.447 -10.933 0.573 1.00 0.13 C ATOM 169 O PHE A 11 1.296 -10.562 0.686 1.00 0.16 O ATOM 170 CB PHE A 11 4.607 -9.901 -0.130 1.00 0.10 C ATOM 171 CG PHE A 11 3.890 -9.350 -1.343 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.443 -8.014 -1.349 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.669 -10.170 -2.468 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.776 -7.499 -2.478 1.00 0.20 C ATOM 175 CE2 PHE A 11 3.001 -9.655 -3.596 1.00 0.18 C ATOM 176 CZ PHE A 11 2.556 -8.319 -3.602 1.00 0.21 C ATOM 0 H PHE A 11 5.270 -10.914 2.067 1.00 0.12 H new ATOM 0 HA PHE A 11 3.236 -9.072 1.316 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.418 -9.234 0.160 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.057 -10.865 -0.367 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.612 -7.384 -0.488 1.00 0.16 H new ATOM 0 HD2 PHE A 11 4.012 -11.194 -2.465 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.433 -6.475 -2.482 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.830 -10.285 -4.456 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.046 -7.923 -4.468 1.00 0.21 H new ATOM 186 N GLN A 12 2.736 -12.089 0.047 1.00 0.15 N ATOM 187 CA GLN A 12 1.645 -12.982 -0.432 1.00 0.19 C ATOM 188 C GLN A 12 0.649 -13.239 0.698 1.00 0.17 C ATOM 189 O GLN A 12 -0.549 -13.211 0.497 1.00 0.16 O ATOM 190 CB GLN A 12 2.245 -14.311 -0.895 1.00 0.24 C ATOM 191 CG GLN A 12 3.281 -14.048 -1.991 1.00 1.21 C ATOM 192 CD GLN A 12 3.815 -15.381 -2.518 1.00 1.77 C ATOM 193 OE1 GLN A 12 3.573 -16.419 -1.934 1.00 2.35 O ATOM 194 NE2 GLN A 12 4.536 -15.396 -3.606 1.00 2.47 N ATOM 0 H GLN A 12 3.681 -12.455 -0.072 1.00 0.15 H new ATOM 0 HA GLN A 12 1.127 -12.503 -1.263 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.712 -14.824 -0.054 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.459 -14.966 -1.272 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.830 -13.478 -2.803 1.00 1.21 H new ATOM 0 HG3 GLN A 12 4.100 -13.447 -1.596 1.00 1.21 H new ATOM 0 HE21 GLN A 12 4.739 -14.524 -4.096 1.00 2.47 H new ATOM 0 HE22 GLN A 12 4.897 -16.279 -3.967 1.00 2.47 H new ATOM 203 N GLU A 13 1.128 -13.494 1.882 1.00 0.19 N ATOM 204 CA GLU A 13 0.203 -13.756 3.014 1.00 0.20 C ATOM 205 C GLU A 13 -0.732 -12.558 3.206 1.00 0.18 C ATOM 206 O GLU A 13 -1.892 -12.714 3.532 1.00 0.19 O ATOM 207 CB GLU A 13 1.018 -13.991 4.290 1.00 0.25 C ATOM 208 CG GLU A 13 1.553 -15.426 4.312 1.00 0.30 C ATOM 209 CD GLU A 13 0.412 -16.393 4.638 1.00 1.29 C ATOM 210 OE1 GLU A 13 -0.282 -16.152 5.611 1.00 2.10 O ATOM 211 OE2 GLU A 13 0.255 -17.358 3.909 1.00 2.03 O ATOM 0 H GLU A 13 2.121 -13.532 2.114 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.395 -14.641 2.799 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.847 -13.284 4.338 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.396 -13.812 5.167 1.00 0.25 H new ATOM 0 HG2 GLU A 13 1.991 -15.677 3.346 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.345 -15.518 5.055 1.00 0.30 H new ATOM 218 N ALA A 14 -0.244 -11.363 3.008 1.00 0.18 N ATOM 219 CA ALA A 14 -1.121 -10.173 3.183 1.00 0.18 C ATOM 220 C ALA A 14 -2.287 -10.254 2.187 1.00 0.18 C ATOM 221 O ALA A 14 -3.432 -10.034 2.531 1.00 0.19 O ATOM 222 CB ALA A 14 -0.306 -8.904 2.932 1.00 0.20 C ATOM 0 H ALA A 14 0.718 -11.161 2.734 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.517 -10.149 4.198 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.945 -8.030 3.059 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.520 -8.856 3.641 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.089 -8.920 1.916 1.00 0.20 H new ATOM 228 N LEU A 15 -1.997 -10.573 0.953 1.00 0.17 N ATOM 229 CA LEU A 15 -3.069 -10.680 -0.085 1.00 0.18 C ATOM 230 C LEU A 15 -4.022 -11.823 0.269 1.00 0.18 C ATOM 231 O LEU A 15 -5.225 -11.651 0.294 1.00 0.18 O ATOM 232 CB LEU A 15 -2.420 -10.943 -1.447 1.00 0.19 C ATOM 233 CG LEU A 15 -1.177 -10.059 -1.605 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.643 -10.179 -3.034 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.545 -8.597 -1.323 1.00 0.62 C ATOM 0 H LEU A 15 -1.054 -10.766 0.615 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.637 -9.750 -0.124 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.144 -11.994 -1.533 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.131 -10.734 -2.246 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.412 -10.384 -0.900 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.241 -9.551 -3.146 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.379 -11.217 -3.238 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.410 -9.855 -3.737 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.660 -7.971 -1.436 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.311 -8.272 -2.027 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.925 -8.507 -0.306 1.00 0.62 H new ATOM 247 N ASP A 16 -3.504 -12.987 0.543 1.00 0.19 N ATOM 248 CA ASP A 16 -4.397 -14.125 0.896 1.00 0.21 C ATOM 249 C ASP A 16 -5.142 -13.793 2.190 1.00 0.20 C ATOM 250 O ASP A 16 -6.276 -14.185 2.385 1.00 0.20 O ATOM 251 CB ASP A 16 -3.562 -15.392 1.094 1.00 0.24 C ATOM 252 CG ASP A 16 -4.492 -16.593 1.270 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.585 -16.555 0.731 1.00 1.09 O ATOM 254 OD2 ASP A 16 -4.096 -17.532 1.941 1.00 1.07 O ATOM 0 H ASP A 16 -2.506 -13.199 0.538 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.114 -14.292 0.092 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.908 -15.547 0.236 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.920 -15.284 1.968 1.00 0.24 H new ATOM 259 N ALA A 17 -4.512 -13.068 3.076 1.00 0.22 N ATOM 260 CA ALA A 17 -5.180 -12.702 4.357 1.00 0.24 C ATOM 261 C ALA A 17 -6.089 -11.488 4.138 1.00 0.21 C ATOM 262 O ALA A 17 -6.971 -11.212 4.926 1.00 0.22 O ATOM 263 CB ALA A 17 -4.115 -12.360 5.401 1.00 0.30 C ATOM 0 H ALA A 17 -3.562 -12.713 2.967 1.00 0.22 H new ATOM 0 HA ALA A 17 -5.781 -13.542 4.706 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -4.599 -12.092 6.340 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.470 -13.224 5.559 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.516 -11.520 5.048 1.00 0.30 H new ATOM 269 N ALA A 18 -5.877 -10.758 3.075 1.00 0.21 N ATOM 270 CA ALA A 18 -6.726 -9.559 2.810 1.00 0.22 C ATOM 271 C ALA A 18 -8.153 -9.999 2.475 1.00 0.21 C ATOM 272 O ALA A 18 -9.047 -9.186 2.344 1.00 0.24 O ATOM 273 CB ALA A 18 -6.143 -8.773 1.634 1.00 0.23 C ATOM 0 H ALA A 18 -5.154 -10.940 2.379 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.745 -8.927 3.698 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.762 -7.897 1.439 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.129 -8.454 1.876 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.122 -9.407 0.747 1.00 0.23 H new ATOM 279 N GLY A 19 -8.376 -11.276 2.343 1.00 0.22 N ATOM 280 CA GLY A 19 -9.748 -11.764 2.024 1.00 0.24 C ATOM 281 C GLY A 19 -10.103 -11.411 0.578 1.00 0.20 C ATOM 282 O GLY A 19 -9.579 -11.982 -0.358 1.00 0.28 O ATOM 0 H GLY A 19 -7.668 -12.004 2.442 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.802 -12.843 2.168 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.471 -11.315 2.705 1.00 0.24 H new ATOM 286 N ASP A 20 -11.001 -10.477 0.389 1.00 0.13 N ATOM 287 CA ASP A 20 -11.413 -10.082 -0.995 1.00 0.18 C ATOM 288 C ASP A 20 -11.569 -8.558 -1.070 1.00 0.15 C ATOM 289 O ASP A 20 -11.895 -8.010 -2.103 1.00 0.22 O ATOM 290 CB ASP A 20 -12.751 -10.754 -1.324 1.00 0.26 C ATOM 291 CG ASP A 20 -13.298 -10.216 -2.647 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.499 -9.822 -3.480 1.00 2.21 O ATOM 293 OD2 ASP A 20 -14.508 -10.210 -2.806 1.00 2.19 O ATOM 0 H ASP A 20 -11.470 -9.967 1.138 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.655 -10.398 -1.712 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -12.618 -11.834 -1.389 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.467 -10.568 -0.523 1.00 0.26 H new ATOM 298 N LYS A 21 -11.337 -7.866 0.012 1.00 0.12 N ATOM 299 CA LYS A 21 -11.471 -6.385 -0.016 1.00 0.19 C ATOM 300 C LYS A 21 -10.338 -5.791 -0.857 1.00 0.15 C ATOM 301 O LYS A 21 -9.390 -6.469 -1.198 1.00 0.15 O ATOM 302 CB LYS A 21 -11.394 -5.862 1.416 1.00 0.27 C ATOM 303 CG LYS A 21 -12.159 -6.812 2.349 1.00 0.29 C ATOM 304 CD LYS A 21 -12.459 -6.109 3.688 1.00 0.30 C ATOM 305 CE LYS A 21 -13.837 -5.432 3.639 1.00 1.12 C ATOM 306 NZ LYS A 21 -14.067 -4.856 2.285 1.00 1.90 N ATOM 0 H LYS A 21 -11.061 -8.262 0.911 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.425 -6.098 -0.458 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.353 -5.785 1.731 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.819 -4.860 1.472 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.090 -7.126 1.877 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -11.571 -7.713 2.526 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -12.432 -6.834 4.501 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.689 -5.366 3.897 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.617 -6.156 3.874 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -13.894 -4.647 4.393 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -15.043 -4.504 2.219 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.404 -4.071 2.125 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.914 -5.590 1.565 1.00 1.90 H new ATOM 320 N LEU A 22 -10.425 -4.534 -1.198 1.00 0.13 N ATOM 321 CA LEU A 22 -9.347 -3.918 -2.017 1.00 0.11 C ATOM 322 C LEU A 22 -8.037 -3.973 -1.208 1.00 0.10 C ATOM 323 O LEU A 22 -8.053 -4.172 -0.010 1.00 0.11 O ATOM 324 CB LEU A 22 -9.734 -2.451 -2.333 1.00 0.12 C ATOM 325 CG LEU A 22 -9.414 -2.069 -3.795 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.719 -0.571 -3.998 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.936 -2.347 -4.120 1.00 0.11 C ATOM 0 H LEU A 22 -11.192 -3.911 -0.946 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.213 -4.454 -2.957 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.798 -2.309 -2.146 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.200 -1.782 -1.658 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.029 -2.671 -4.464 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.496 -0.291 -5.028 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.772 -0.383 -3.790 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.104 0.021 -3.320 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.733 -2.071 -5.155 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.301 -1.760 -3.456 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.726 -3.407 -3.980 1.00 0.11 H new ATOM 339 N VAL A 23 -6.908 -3.795 -1.846 1.00 0.08 N ATOM 340 CA VAL A 23 -5.610 -3.835 -1.108 1.00 0.09 C ATOM 341 C VAL A 23 -4.636 -2.835 -1.739 1.00 0.08 C ATOM 342 O VAL A 23 -4.070 -3.085 -2.784 1.00 0.09 O ATOM 343 CB VAL A 23 -5.023 -5.247 -1.198 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.803 -5.360 -0.280 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.078 -6.267 -0.766 1.00 0.10 C ATOM 0 H VAL A 23 -6.830 -3.623 -2.848 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.773 -3.573 -0.063 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.721 -5.445 -2.227 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.389 -6.366 -0.347 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.048 -4.636 -0.587 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.102 -5.159 0.749 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.660 -7.272 -0.830 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.381 -6.065 0.261 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.946 -6.192 -1.421 1.00 0.10 H new ATOM 355 N VAL A 24 -4.429 -1.705 -1.105 1.00 0.08 N ATOM 356 CA VAL A 24 -3.484 -0.683 -1.654 1.00 0.08 C ATOM 357 C VAL A 24 -2.165 -0.771 -0.883 1.00 0.08 C ATOM 358 O VAL A 24 -2.147 -0.787 0.332 1.00 0.08 O ATOM 359 CB VAL A 24 -4.087 0.715 -1.501 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.316 1.705 -2.379 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.558 0.686 -1.930 1.00 0.09 C ATOM 0 H VAL A 24 -4.877 -1.446 -0.226 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.305 -0.872 -2.713 1.00 0.08 H new ATOM 0 HB VAL A 24 -4.019 1.028 -0.459 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.746 2.700 -2.269 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.270 1.726 -2.072 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.382 1.394 -3.422 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.988 1.682 -1.821 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.627 0.373 -2.972 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.106 -0.017 -1.303 1.00 0.09 H new ATOM 371 N VAL A 25 -1.060 -0.849 -1.583 1.00 0.09 N ATOM 372 CA VAL A 25 0.273 -0.959 -0.905 1.00 0.09 C ATOM 373 C VAL A 25 1.016 0.365 -1.008 1.00 0.10 C ATOM 374 O VAL A 25 0.933 1.058 -2.000 1.00 0.17 O ATOM 375 CB VAL A 25 1.101 -2.044 -1.600 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.278 -2.456 -0.711 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.215 -3.257 -1.877 1.00 0.09 C ATOM 0 H VAL A 25 -1.022 -0.841 -2.602 1.00 0.09 H new ATOM 0 HA VAL A 25 0.122 -1.212 0.144 1.00 0.09 H new ATOM 0 HB VAL A 25 1.489 -1.653 -2.540 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.861 -3.228 -1.214 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.911 -1.589 -0.521 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.901 -2.844 0.235 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.802 -4.031 -2.372 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.176 -3.644 -0.936 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.614 -2.963 -2.521 1.00 0.09 H new ATOM 387 N ASP A 26 1.763 0.707 0.008 1.00 0.08 N ATOM 388 CA ASP A 26 2.547 1.976 -0.008 1.00 0.08 C ATOM 389 C ASP A 26 4.035 1.625 -0.006 1.00 0.08 C ATOM 390 O ASP A 26 4.626 1.388 1.029 1.00 0.09 O ATOM 391 CB ASP A 26 2.211 2.807 1.234 1.00 0.09 C ATOM 392 CG ASP A 26 3.142 4.019 1.308 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.681 4.390 0.280 1.00 0.93 O ATOM 394 OD2 ASP A 26 3.299 4.556 2.393 1.00 0.96 O ATOM 0 H ASP A 26 1.864 0.154 0.859 1.00 0.08 H new ATOM 0 HA ASP A 26 2.300 2.557 -0.897 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.172 3.135 1.194 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.318 2.198 2.132 1.00 0.09 H new ATOM 399 N PHE A 27 4.646 1.589 -1.158 1.00 0.08 N ATOM 400 CA PHE A 27 6.093 1.257 -1.220 1.00 0.09 C ATOM 401 C PHE A 27 6.875 2.534 -0.933 1.00 0.11 C ATOM 402 O PHE A 27 7.387 3.178 -1.828 1.00 0.13 O ATOM 403 CB PHE A 27 6.444 0.764 -2.625 1.00 0.10 C ATOM 404 CG PHE A 27 6.026 -0.678 -2.803 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.701 -0.995 -3.163 1.00 0.19 C ATOM 406 CD2 PHE A 27 6.970 -1.706 -2.624 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.323 -2.342 -3.341 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.593 -3.051 -2.805 1.00 0.21 C ATOM 409 CZ PHE A 27 5.270 -3.369 -3.162 1.00 0.23 C ATOM 0 H PHE A 27 4.204 1.775 -2.058 1.00 0.08 H new ATOM 0 HA PHE A 27 6.337 0.480 -0.496 1.00 0.09 H new ATOM 0 HB2 PHE A 27 5.948 1.387 -3.369 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.517 0.861 -2.793 1.00 0.10 H new ATOM 0 HD1 PHE A 27 3.976 -0.207 -3.302 1.00 0.19 H new ATOM 0 HD2 PHE A 27 7.985 -1.463 -2.347 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.307 -2.586 -3.615 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.320 -3.838 -2.670 1.00 0.21 H new ATOM 0 HZ PHE A 27 4.981 -4.400 -3.299 1.00 0.23 H new ATOM 419 N SER A 28 6.956 2.909 0.315 1.00 0.11 N ATOM 420 CA SER A 28 7.687 4.152 0.692 1.00 0.12 C ATOM 421 C SER A 28 9.044 3.779 1.277 1.00 0.10 C ATOM 422 O SER A 28 9.514 2.667 1.135 1.00 0.11 O ATOM 423 CB SER A 28 6.873 4.911 1.741 1.00 0.17 C ATOM 424 OG SER A 28 5.718 5.467 1.125 1.00 1.03 O ATOM 0 H SER A 28 6.542 2.402 1.097 1.00 0.11 H new ATOM 0 HA SER A 28 7.830 4.779 -0.188 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.581 4.239 2.548 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.478 5.701 2.186 1.00 0.17 H new ATOM 0 HG SER A 28 5.297 4.794 0.551 1.00 1.03 H new ATOM 430 N ALA A 29 9.675 4.705 1.942 1.00 0.10 N ATOM 431 CA ALA A 29 11.008 4.429 2.559 1.00 0.15 C ATOM 432 C ALA A 29 11.060 5.108 3.932 1.00 0.18 C ATOM 433 O ALA A 29 10.819 6.291 4.065 1.00 0.26 O ATOM 434 CB ALA A 29 12.113 4.975 1.646 1.00 0.19 C ATOM 0 H ALA A 29 9.323 5.651 2.087 1.00 0.10 H new ATOM 0 HA ALA A 29 11.158 3.356 2.681 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.087 4.775 2.094 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.054 4.488 0.673 1.00 0.19 H new ATOM 0 HB3 ALA A 29 11.984 6.050 1.522 1.00 0.19 H new ATOM 440 N THR A 30 11.344 4.349 4.955 1.00 0.18 N ATOM 441 CA THR A 30 11.382 4.919 6.335 1.00 0.23 C ATOM 442 C THR A 30 12.497 5.960 6.472 1.00 0.26 C ATOM 443 O THR A 30 12.399 6.877 7.262 1.00 0.31 O ATOM 444 CB THR A 30 11.621 3.786 7.338 1.00 0.26 C ATOM 445 OG1 THR A 30 11.560 4.306 8.659 1.00 0.32 O ATOM 446 CG2 THR A 30 12.999 3.166 7.097 1.00 0.28 C ATOM 0 H THR A 30 11.553 3.352 4.895 1.00 0.18 H new ATOM 0 HA THR A 30 10.429 5.409 6.535 1.00 0.23 H new ATOM 0 HB THR A 30 10.855 3.021 7.210 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.711 3.583 9.303 1.00 0.32 H new ATOM 0 HG21 THR A 30 13.166 2.360 7.812 1.00 0.28 H new ATOM 0 HG22 THR A 30 13.046 2.767 6.084 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.768 3.928 7.223 1.00 0.28 H new ATOM 454 N TRP A 31 13.561 5.830 5.726 1.00 0.26 N ATOM 455 CA TRP A 31 14.675 6.819 5.844 1.00 0.32 C ATOM 456 C TRP A 31 14.422 8.006 4.916 1.00 0.32 C ATOM 457 O TRP A 31 15.020 9.055 5.056 1.00 0.36 O ATOM 458 CB TRP A 31 15.998 6.150 5.457 1.00 0.34 C ATOM 459 CG TRP A 31 16.000 5.819 3.999 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.685 4.612 3.474 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.333 6.681 2.875 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.809 4.676 2.097 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.201 5.931 1.677 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.733 8.033 2.778 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.458 6.503 0.421 1.00 0.32 C ATOM 466 CZ3 TRP A 31 16.992 8.613 1.519 1.00 0.44 C ATOM 467 CH2 TRP A 31 16.853 7.850 0.342 1.00 0.40 C ATOM 0 H TRP A 31 13.708 5.087 5.043 1.00 0.26 H new ATOM 0 HA TRP A 31 14.727 7.172 6.874 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.831 6.814 5.688 1.00 0.34 H new ATOM 0 HB3 TRP A 31 16.141 5.243 6.044 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.386 3.741 4.038 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.632 3.892 1.469 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.841 8.626 3.674 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.353 5.913 -0.477 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.298 9.647 1.456 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.050 8.300 -0.620 1.00 0.40 H new ATOM 478 N CYS A 32 13.552 7.848 3.959 1.00 0.28 N ATOM 479 CA CYS A 32 13.276 8.959 3.002 1.00 0.30 C ATOM 480 C CYS A 32 12.101 9.804 3.509 1.00 0.31 C ATOM 481 O CYS A 32 11.042 9.300 3.827 1.00 0.29 O ATOM 482 CB CYS A 32 12.951 8.348 1.634 1.00 0.28 C ATOM 483 SG CYS A 32 13.471 9.479 0.319 1.00 0.32 S ATOM 0 H CYS A 32 13.017 6.995 3.796 1.00 0.28 H new ATOM 0 HA CYS A 32 14.147 9.609 2.915 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.458 7.390 1.524 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.881 8.153 1.557 1.00 0.28 H new ATOM 488 N GLY A 33 12.297 11.092 3.586 1.00 0.34 N ATOM 489 CA GLY A 33 11.223 12.002 4.073 1.00 0.36 C ATOM 490 C GLY A 33 10.086 12.139 3.043 1.00 0.35 C ATOM 491 O GLY A 33 8.943 11.950 3.391 1.00 0.33 O ATOM 0 H GLY A 33 13.167 11.558 3.329 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.821 11.621 5.012 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.645 12.985 4.283 1.00 0.36 H new ATOM 495 N PRO A 34 10.412 12.493 1.817 1.00 0.37 N ATOM 496 CA PRO A 34 9.389 12.687 0.764 1.00 0.38 C ATOM 497 C PRO A 34 8.420 11.499 0.699 1.00 0.35 C ATOM 498 O PRO A 34 7.239 11.668 0.467 1.00 0.36 O ATOM 499 CB PRO A 34 10.203 12.842 -0.541 1.00 0.42 C ATOM 500 CG PRO A 34 11.672 13.122 -0.119 1.00 0.44 C ATOM 501 CD PRO A 34 11.803 12.721 1.368 1.00 0.40 C ATOM 0 HA PRO A 34 8.757 13.555 0.953 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.140 11.938 -1.147 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.812 13.659 -1.147 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.365 12.549 -0.735 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.918 14.175 -0.257 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.409 11.823 1.484 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.283 13.508 1.950 1.00 0.40 H new ATOM 509 N ALA A 35 8.895 10.306 0.905 1.00 0.33 N ATOM 510 CA ALA A 35 7.975 9.137 0.850 1.00 0.32 C ATOM 511 C ALA A 35 7.133 9.107 2.128 1.00 0.39 C ATOM 512 O ALA A 35 5.923 9.220 2.095 1.00 0.81 O ATOM 513 CB ALA A 35 8.795 7.848 0.735 1.00 0.36 C ATOM 0 H ALA A 35 9.871 10.089 1.107 1.00 0.33 H new ATOM 0 HA ALA A 35 7.319 9.219 -0.017 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.122 6.991 0.695 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.397 7.880 -0.173 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.450 7.755 1.601 1.00 0.36 H new ATOM 519 N LYS A 36 7.772 8.964 3.253 1.00 0.30 N ATOM 520 CA LYS A 36 7.034 8.934 4.548 1.00 0.28 C ATOM 521 C LYS A 36 6.272 10.248 4.749 1.00 0.24 C ATOM 522 O LYS A 36 5.351 10.331 5.537 1.00 0.25 O ATOM 523 CB LYS A 36 8.053 8.758 5.679 1.00 0.35 C ATOM 524 CG LYS A 36 7.338 8.728 7.034 1.00 0.38 C ATOM 525 CD LYS A 36 8.359 8.459 8.141 1.00 0.49 C ATOM 526 CE LYS A 36 7.635 8.285 9.477 1.00 1.22 C ATOM 527 NZ LYS A 36 8.619 8.393 10.591 1.00 1.92 N ATOM 0 H LYS A 36 8.784 8.866 3.333 1.00 0.30 H new ATOM 0 HA LYS A 36 6.319 8.111 4.547 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.612 7.834 5.534 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.775 9.574 5.658 1.00 0.35 H new ATOM 0 HG2 LYS A 36 6.833 9.677 7.212 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.571 7.954 7.036 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.935 7.563 7.909 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.067 9.285 8.205 1.00 0.49 H new ATOM 0 HE2 LYS A 36 6.861 9.045 9.586 1.00 1.22 H new ATOM 0 HE3 LYS A 36 7.137 7.316 9.510 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 8.128 8.275 11.500 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 9.342 7.652 10.489 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 9.075 9.327 10.562 1.00 1.92 H new ATOM 541 N MET A 37 6.657 11.280 4.053 1.00 0.23 N ATOM 542 CA MET A 37 5.974 12.595 4.219 1.00 0.24 C ATOM 543 C MET A 37 4.483 12.459 3.895 1.00 0.20 C ATOM 544 O MET A 37 3.686 13.299 4.260 1.00 0.20 O ATOM 545 CB MET A 37 6.626 13.624 3.281 1.00 0.29 C ATOM 546 CG MET A 37 5.791 14.911 3.220 1.00 1.31 C ATOM 547 SD MET A 37 5.411 15.482 4.897 1.00 2.12 S ATOM 548 CE MET A 37 4.133 16.680 4.442 1.00 3.13 C ATOM 0 H MET A 37 7.418 11.271 3.374 1.00 0.23 H new ATOM 0 HA MET A 37 6.075 12.929 5.252 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.633 13.854 3.630 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.724 13.201 2.281 1.00 0.29 H new ATOM 0 HG2 MET A 37 6.337 15.684 2.679 1.00 1.31 H new ATOM 0 HG3 MET A 37 4.867 14.729 2.671 1.00 1.31 H new ATOM 0 HE1 MET A 37 3.750 17.162 5.341 1.00 3.13 H new ATOM 0 HE2 MET A 37 4.560 17.434 3.780 1.00 3.13 H new ATOM 0 HE3 MET A 37 3.319 16.167 3.930 1.00 3.13 H new ATOM 558 N ILE A 38 4.099 11.417 3.201 1.00 0.18 N ATOM 559 CA ILE A 38 2.657 11.237 2.837 1.00 0.15 C ATOM 560 C ILE A 38 1.986 10.240 3.782 1.00 0.16 C ATOM 561 O ILE A 38 0.903 9.762 3.518 1.00 0.16 O ATOM 562 CB ILE A 38 2.558 10.708 1.401 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.385 11.615 0.473 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.081 10.680 0.940 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.456 11.016 -0.950 1.00 0.28 C ATOM 0 H ILE A 38 4.722 10.681 2.869 1.00 0.18 H new ATOM 0 HA ILE A 38 2.153 12.200 2.920 1.00 0.15 H new ATOM 0 HB ILE A 38 2.949 9.691 1.362 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.938 12.608 0.434 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.392 11.734 0.874 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.026 10.302 -0.081 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.506 10.029 1.599 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.669 11.689 0.977 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.045 11.671 -1.592 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.925 10.033 -0.908 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.449 10.921 -1.355 1.00 0.28 H new ATOM 577 N LYS A 39 2.604 9.913 4.887 1.00 0.19 N ATOM 578 CA LYS A 39 1.956 8.939 5.806 1.00 0.22 C ATOM 579 C LYS A 39 0.684 9.501 6.483 1.00 0.20 C ATOM 580 O LYS A 39 -0.207 8.733 6.773 1.00 0.21 O ATOM 581 CB LYS A 39 2.961 8.369 6.841 1.00 0.31 C ATOM 582 CG LYS A 39 3.222 9.321 8.031 1.00 0.34 C ATOM 583 CD LYS A 39 3.771 8.522 9.227 1.00 0.45 C ATOM 584 CE LYS A 39 2.710 7.544 9.774 1.00 1.16 C ATOM 585 NZ LYS A 39 2.966 6.182 9.221 1.00 1.62 N ATOM 0 H LYS A 39 3.511 10.271 5.187 1.00 0.19 H new ATOM 0 HA LYS A 39 1.623 8.108 5.184 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.582 7.420 7.221 1.00 0.31 H new ATOM 0 HB3 LYS A 39 3.906 8.157 6.341 1.00 0.31 H new ATOM 0 HG2 LYS A 39 3.934 10.094 7.741 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.299 9.827 8.313 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.658 7.968 8.922 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.079 9.208 10.016 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.747 7.520 10.863 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.711 7.880 9.497 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.098 5.818 8.779 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.722 6.233 8.508 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.257 5.544 9.989 1.00 1.62 H new ATOM 599 N PRO A 40 0.593 10.794 6.748 1.00 0.20 N ATOM 600 CA PRO A 40 -0.609 11.319 7.415 1.00 0.21 C ATOM 601 C PRO A 40 -1.833 11.125 6.506 1.00 0.17 C ATOM 602 O PRO A 40 -2.947 11.438 6.876 1.00 0.20 O ATOM 603 CB PRO A 40 -0.305 12.807 7.688 1.00 0.24 C ATOM 604 CG PRO A 40 1.145 13.080 7.195 1.00 0.25 C ATOM 605 CD PRO A 40 1.611 11.825 6.429 1.00 0.21 C ATOM 0 HA PRO A 40 -0.842 10.803 8.346 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -1.016 13.447 7.165 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.398 13.030 8.751 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.173 13.957 6.549 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.806 13.284 8.038 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.664 12.012 5.356 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.605 11.512 6.747 1.00 0.21 H new ATOM 613 N PHE A 41 -1.625 10.602 5.322 1.00 0.14 N ATOM 614 CA PHE A 41 -2.762 10.363 4.374 1.00 0.14 C ATOM 615 C PHE A 41 -2.978 8.856 4.212 1.00 0.11 C ATOM 616 O PHE A 41 -3.867 8.280 4.800 1.00 0.13 O ATOM 617 CB PHE A 41 -2.426 10.973 3.004 1.00 0.15 C ATOM 618 CG PHE A 41 -2.699 12.457 3.026 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.766 13.338 3.604 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.890 12.959 2.466 1.00 0.26 C ATOM 621 CE1 PHE A 41 -2.024 14.722 3.623 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.149 14.343 2.484 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.216 15.225 3.063 1.00 0.27 C ATOM 0 H PHE A 41 -0.709 10.328 4.968 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.666 10.826 4.769 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.379 10.790 2.761 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.022 10.495 2.227 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.853 12.953 4.033 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.605 12.282 2.023 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.309 15.398 4.067 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.062 14.728 2.054 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.414 16.287 3.078 1.00 0.27 H new ATOM 633 N PHE A 42 -2.168 8.225 3.406 1.00 0.10 N ATOM 634 CA PHE A 42 -2.312 6.758 3.169 1.00 0.11 C ATOM 635 C PHE A 42 -2.612 6.020 4.479 1.00 0.11 C ATOM 636 O PHE A 42 -3.589 5.306 4.586 1.00 0.12 O ATOM 637 CB PHE A 42 -1.008 6.230 2.569 1.00 0.13 C ATOM 638 CG PHE A 42 -1.111 4.742 2.363 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.830 4.241 1.265 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.480 3.855 3.257 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.919 2.856 1.058 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.572 2.465 3.052 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.292 1.964 1.950 1.00 0.10 C ATOM 0 H PHE A 42 -1.404 8.668 2.896 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.143 6.586 2.484 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.806 6.725 1.619 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.173 6.458 3.231 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.314 4.922 0.580 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.074 4.241 4.100 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.470 2.473 0.212 1.00 0.11 H new ATOM 0 HE2 PHE A 42 -0.091 1.784 3.739 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.363 0.898 1.789 1.00 0.10 H new ATOM 653 N HIS A 43 -1.784 6.177 5.473 1.00 0.14 N ATOM 654 CA HIS A 43 -2.034 5.475 6.766 1.00 0.16 C ATOM 655 C HIS A 43 -3.292 6.049 7.440 1.00 0.16 C ATOM 656 O HIS A 43 -4.001 5.346 8.134 1.00 0.18 O ATOM 657 CB HIS A 43 -0.781 5.609 7.664 1.00 0.21 C ATOM 658 CG HIS A 43 -1.145 5.556 9.126 1.00 0.27 C ATOM 659 ND1 HIS A 43 -1.109 4.382 9.861 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.598 6.526 9.985 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.535 4.672 11.105 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.846 5.965 11.235 1.00 0.39 N ATOM 0 H HIS A 43 -0.947 6.759 5.448 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.216 4.414 6.593 1.00 0.16 H new ATOM 0 HB2 HIS A 43 -0.078 4.808 7.433 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.275 6.550 7.447 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.740 7.566 9.730 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.616 3.947 11.901 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.191 6.439 12.070 1.00 0.39 H new ATOM 670 N SER A 44 -3.583 7.305 7.244 1.00 0.20 N ATOM 671 CA SER A 44 -4.801 7.884 7.883 1.00 0.25 C ATOM 672 C SER A 44 -6.060 7.214 7.313 1.00 0.20 C ATOM 673 O SER A 44 -6.986 6.907 8.036 1.00 0.21 O ATOM 674 CB SER A 44 -4.852 9.392 7.629 1.00 0.34 C ATOM 675 OG SER A 44 -3.923 10.038 8.487 1.00 0.97 O ATOM 0 H SER A 44 -3.037 7.952 6.675 1.00 0.20 H new ATOM 0 HA SER A 44 -4.760 7.704 8.957 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.614 9.606 6.587 1.00 0.34 H new ATOM 0 HB3 SER A 44 -5.858 9.770 7.811 1.00 0.34 H new ATOM 0 HG SER A 44 -3.607 10.864 8.065 1.00 0.97 H new ATOM 681 N LEU A 45 -6.105 6.984 6.025 1.00 0.18 N ATOM 682 CA LEU A 45 -7.314 6.334 5.430 1.00 0.18 C ATOM 683 C LEU A 45 -7.645 5.064 6.217 1.00 0.16 C ATOM 684 O LEU A 45 -8.719 4.511 6.095 1.00 0.23 O ATOM 685 CB LEU A 45 -7.041 5.955 3.967 1.00 0.19 C ATOM 686 CG LEU A 45 -6.607 7.186 3.159 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.414 6.774 1.695 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.681 8.283 3.252 1.00 0.50 C ATOM 0 H LEU A 45 -5.364 7.216 5.364 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.150 7.032 5.474 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.264 5.192 3.923 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.938 5.522 3.525 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.672 7.577 3.561 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.105 7.641 1.111 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.647 6.002 1.632 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.352 6.385 1.300 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.364 9.152 2.676 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.622 7.906 2.852 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.819 8.570 4.295 1.00 0.50 H new ATOM 700 N SER A 46 -6.732 4.597 7.021 1.00 0.20 N ATOM 701 CA SER A 46 -6.998 3.362 7.812 1.00 0.25 C ATOM 702 C SER A 46 -8.229 3.567 8.701 1.00 0.17 C ATOM 703 O SER A 46 -8.927 2.630 9.033 1.00 0.15 O ATOM 704 CB SER A 46 -5.787 3.047 8.690 1.00 0.36 C ATOM 705 OG SER A 46 -4.661 2.787 7.862 1.00 0.51 O ATOM 0 H SER A 46 -5.813 5.016 7.165 1.00 0.20 H new ATOM 0 HA SER A 46 -7.181 2.533 7.128 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.578 3.885 9.355 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.996 2.183 9.321 1.00 0.36 H new ATOM 0 HG SER A 46 -4.171 3.621 7.705 1.00 0.51 H new ATOM 711 N GLU A 47 -8.493 4.786 9.101 1.00 0.21 N ATOM 712 CA GLU A 47 -9.674 5.050 9.984 1.00 0.21 C ATOM 713 C GLU A 47 -10.877 5.489 9.145 1.00 0.18 C ATOM 714 O GLU A 47 -12.013 5.330 9.548 1.00 0.18 O ATOM 715 CB GLU A 47 -9.319 6.160 10.981 1.00 0.32 C ATOM 716 CG GLU A 47 -7.897 5.945 11.502 1.00 0.39 C ATOM 717 CD GLU A 47 -7.671 6.807 12.747 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.307 6.538 13.752 1.00 1.98 O ATOM 719 OE2 GLU A 47 -6.864 7.719 12.673 1.00 2.00 O ATOM 0 H GLU A 47 -7.944 5.610 8.855 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.931 4.135 10.518 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.397 7.135 10.499 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.026 6.157 11.811 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.742 4.893 11.742 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.173 6.206 10.730 1.00 0.39 H new ATOM 726 N LYS A 48 -10.645 6.044 7.986 1.00 0.18 N ATOM 727 CA LYS A 48 -11.785 6.497 7.133 1.00 0.17 C ATOM 728 C LYS A 48 -12.203 5.366 6.192 1.00 0.15 C ATOM 729 O LYS A 48 -13.287 5.373 5.643 1.00 0.18 O ATOM 730 CB LYS A 48 -11.352 7.720 6.314 1.00 0.21 C ATOM 731 CG LYS A 48 -12.537 8.242 5.472 1.00 0.26 C ATOM 732 CD LYS A 48 -12.410 9.760 5.255 1.00 1.09 C ATOM 733 CE LYS A 48 -11.011 10.115 4.722 1.00 1.51 C ATOM 734 NZ LYS A 48 -10.102 10.401 5.868 1.00 2.16 N ATOM 0 H LYS A 48 -9.718 6.204 7.592 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.630 6.766 7.766 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.995 8.506 6.980 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.521 7.454 5.661 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.561 7.731 4.510 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -13.477 8.017 5.976 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -13.170 10.097 4.550 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -12.591 10.284 6.194 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -10.616 9.291 4.128 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -11.070 10.983 4.065 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -9.600 11.296 5.698 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -10.660 10.478 6.743 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -9.411 9.629 5.964 1.00 2.16 H new ATOM 748 N TYR A 49 -11.349 4.391 6.004 1.00 0.13 N ATOM 749 CA TYR A 49 -11.686 3.245 5.101 1.00 0.13 C ATOM 750 C TYR A 49 -11.256 1.935 5.763 1.00 0.11 C ATOM 751 O TYR A 49 -10.408 1.222 5.264 1.00 0.11 O ATOM 752 CB TYR A 49 -10.962 3.427 3.760 1.00 0.15 C ATOM 753 CG TYR A 49 -11.734 4.416 2.916 1.00 0.16 C ATOM 754 CD1 TYR A 49 -12.996 4.058 2.410 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.208 5.699 2.659 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.734 4.975 1.642 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.946 6.620 1.895 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.211 6.259 1.384 1.00 0.21 C ATOM 759 OH TYR A 49 -13.937 7.161 0.635 1.00 0.24 O ATOM 0 H TYR A 49 -10.428 4.338 6.439 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.761 3.215 4.923 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -9.946 3.785 3.926 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -10.882 2.471 3.242 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.399 3.077 2.612 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.239 5.974 3.049 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.701 4.697 1.250 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.545 7.603 1.699 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.420 7.986 0.526 1.00 0.24 H new ATOM 769 N SER A 50 -11.844 1.614 6.883 1.00 0.12 N ATOM 770 CA SER A 50 -11.485 0.349 7.583 1.00 0.13 C ATOM 771 C SER A 50 -11.960 -0.841 6.747 1.00 0.13 C ATOM 772 O SER A 50 -11.713 -1.985 7.077 1.00 0.14 O ATOM 773 CB SER A 50 -12.163 0.315 8.952 1.00 0.16 C ATOM 774 OG SER A 50 -13.565 0.488 8.785 1.00 0.17 O ATOM 0 H SER A 50 -12.560 2.175 7.344 1.00 0.12 H new ATOM 0 HA SER A 50 -10.404 0.296 7.714 1.00 0.13 H new ATOM 0 HB2 SER A 50 -11.958 -0.633 9.449 1.00 0.16 H new ATOM 0 HB3 SER A 50 -11.761 1.102 9.590 1.00 0.16 H new ATOM 0 HG SER A 50 -14.004 0.465 9.661 1.00 0.17 H new ATOM 780 N ASN A 51 -12.645 -0.579 5.665 1.00 0.13 N ATOM 781 CA ASN A 51 -13.145 -1.687 4.798 1.00 0.15 C ATOM 782 C ASN A 51 -12.112 -1.973 3.710 1.00 0.13 C ATOM 783 O ASN A 51 -12.278 -2.863 2.900 1.00 0.14 O ATOM 784 CB ASN A 51 -14.462 -1.260 4.150 1.00 0.17 C ATOM 785 CG ASN A 51 -15.039 -2.422 3.340 1.00 0.20 C ATOM 786 OD1 ASN A 51 -15.729 -3.267 3.874 1.00 0.34 O ATOM 787 ND2 ASN A 51 -14.786 -2.497 2.062 1.00 0.32 N ATOM 0 H ASN A 51 -12.881 0.360 5.343 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.306 -2.584 5.396 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.172 -0.951 4.917 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.297 -0.399 3.502 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -15.168 -3.266 1.511 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -14.206 -1.787 1.614 1.00 0.32 H new ATOM 794 N VAL A 52 -11.038 -1.224 3.700 1.00 0.11 N ATOM 795 CA VAL A 52 -9.959 -1.432 2.683 1.00 0.10 C ATOM 796 C VAL A 52 -8.686 -1.857 3.410 1.00 0.10 C ATOM 797 O VAL A 52 -8.439 -1.458 4.531 1.00 0.11 O ATOM 798 CB VAL A 52 -9.703 -0.121 1.940 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.505 -0.285 0.998 1.00 0.12 C ATOM 800 CG2 VAL A 52 -10.949 0.256 1.133 1.00 0.12 C ATOM 0 H VAL A 52 -10.860 -0.468 4.361 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.259 -2.199 1.968 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.484 0.668 2.660 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.326 0.652 0.470 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.620 -0.550 1.577 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.715 -1.074 0.276 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.769 1.191 0.602 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.169 -0.533 0.414 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.796 0.379 1.808 1.00 0.12 H new ATOM 810 N ILE A 53 -7.881 -2.678 2.791 1.00 0.09 N ATOM 811 CA ILE A 53 -6.627 -3.148 3.454 1.00 0.09 C ATOM 812 C ILE A 53 -5.445 -2.302 2.969 1.00 0.09 C ATOM 813 O ILE A 53 -5.176 -2.214 1.787 1.00 0.14 O ATOM 814 CB ILE A 53 -6.381 -4.617 3.077 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.708 -5.395 3.047 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.403 -5.265 4.065 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.585 -5.107 4.286 1.00 0.17 C ATOM 0 H ILE A 53 -8.037 -3.045 1.852 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.726 -3.052 4.535 1.00 0.09 H new ATOM 0 HB ILE A 53 -5.940 -4.649 2.081 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.260 -5.132 2.145 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.499 -6.463 2.993 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.239 -6.305 3.785 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.454 -4.729 4.042 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.820 -5.222 5.071 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.510 -5.679 4.218 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.046 -5.395 5.188 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.819 -4.043 4.327 1.00 0.17 H new ATOM 829 N PHE A 54 -4.732 -1.693 3.880 1.00 0.08 N ATOM 830 CA PHE A 54 -3.550 -0.856 3.503 1.00 0.08 C ATOM 831 C PHE A 54 -2.279 -1.578 3.939 1.00 0.08 C ATOM 832 O PHE A 54 -2.138 -1.971 5.079 1.00 0.11 O ATOM 833 CB PHE A 54 -3.639 0.496 4.210 1.00 0.08 C ATOM 834 CG PHE A 54 -4.898 1.200 3.762 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.994 1.688 2.445 1.00 0.09 C ATOM 836 CD2 PHE A 54 -5.977 1.362 4.654 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.167 2.340 2.018 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.150 2.012 4.227 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.245 2.503 2.910 1.00 0.09 C ATOM 0 H PHE A 54 -4.919 -1.739 4.882 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.534 -0.697 2.425 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.650 0.356 5.291 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.764 1.102 3.976 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.167 1.562 1.761 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.904 0.988 5.664 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.240 2.715 1.008 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.978 2.134 4.910 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.144 3.004 2.584 1.00 0.09 H new ATOM 849 N LEU A 55 -1.355 -1.768 3.034 1.00 0.08 N ATOM 850 CA LEU A 55 -0.082 -2.477 3.372 1.00 0.09 C ATOM 851 C LEU A 55 1.067 -1.464 3.364 1.00 0.09 C ATOM 852 O LEU A 55 0.916 -0.342 2.920 1.00 0.10 O ATOM 853 CB LEU A 55 0.191 -3.562 2.312 1.00 0.10 C ATOM 854 CG LEU A 55 -0.616 -4.836 2.607 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.091 -4.492 2.841 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.493 -5.786 1.408 1.00 0.12 C ATOM 0 H LEU A 55 -1.428 -1.459 2.064 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.164 -2.939 4.356 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.069 -3.183 1.324 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.255 -3.798 2.293 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.225 -5.312 3.506 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.649 -5.405 3.049 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.176 -3.814 3.690 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.498 -4.012 1.951 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -1.062 -6.695 1.604 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.885 -5.298 0.516 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.555 -6.040 1.251 1.00 0.12 H new ATOM 868 N GLU A 56 2.214 -1.855 3.845 1.00 0.09 N ATOM 869 CA GLU A 56 3.390 -0.933 3.866 1.00 0.09 C ATOM 870 C GLU A 56 4.631 -1.751 3.515 1.00 0.09 C ATOM 871 O GLU A 56 4.772 -2.881 3.941 1.00 0.10 O ATOM 872 CB GLU A 56 3.538 -0.319 5.265 1.00 0.09 C ATOM 873 CG GLU A 56 4.481 0.891 5.217 1.00 0.11 C ATOM 874 CD GLU A 56 4.316 1.721 6.495 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.998 1.141 7.519 1.00 1.31 O ATOM 876 OE2 GLU A 56 4.510 2.925 6.425 1.00 1.24 O ATOM 0 H GLU A 56 2.391 -2.783 4.229 1.00 0.09 H new ATOM 0 HA GLU A 56 3.259 -0.124 3.148 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.562 -0.013 5.641 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.927 -1.065 5.958 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.514 0.557 5.119 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.260 1.503 4.343 1.00 0.11 H new ATOM 883 N VAL A 57 5.517 -1.214 2.717 1.00 0.08 N ATOM 884 CA VAL A 57 6.728 -1.992 2.311 1.00 0.08 C ATOM 885 C VAL A 57 7.966 -1.094 2.280 1.00 0.09 C ATOM 886 O VAL A 57 7.919 0.042 1.846 1.00 0.14 O ATOM 887 CB VAL A 57 6.485 -2.566 0.913 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.617 -3.527 0.548 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.151 -3.316 0.897 1.00 0.09 C ATOM 0 H VAL A 57 5.456 -0.273 2.329 1.00 0.08 H new ATOM 0 HA VAL A 57 6.902 -2.790 3.033 1.00 0.08 H new ATOM 0 HB VAL A 57 6.455 -1.753 0.187 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.442 -3.934 -0.448 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.566 -2.992 0.559 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.651 -4.341 1.272 1.00 0.10 H new ATOM 0 HG21 VAL A 57 4.976 -3.726 -0.098 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.181 -4.128 1.624 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.344 -2.629 1.154 1.00 0.09 H new ATOM 899 N ASP A 58 9.084 -1.612 2.727 1.00 0.09 N ATOM 900 CA ASP A 58 10.352 -0.823 2.719 1.00 0.09 C ATOM 901 C ASP A 58 11.148 -1.220 1.471 1.00 0.10 C ATOM 902 O ASP A 58 11.607 -2.338 1.348 1.00 0.11 O ATOM 903 CB ASP A 58 11.163 -1.149 3.983 1.00 0.11 C ATOM 904 CG ASP A 58 12.164 -0.024 4.262 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.722 1.090 4.496 1.00 1.08 O ATOM 906 OD2 ASP A 58 13.353 -0.295 4.241 1.00 1.06 O ATOM 0 H ASP A 58 9.171 -2.557 3.100 1.00 0.09 H new ATOM 0 HA ASP A 58 10.140 0.246 2.705 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.493 -1.272 4.834 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.691 -2.094 3.854 1.00 0.11 H new ATOM 911 N VAL A 59 11.292 -0.326 0.536 1.00 0.12 N ATOM 912 CA VAL A 59 12.032 -0.668 -0.712 1.00 0.15 C ATOM 913 C VAL A 59 13.531 -0.813 -0.436 1.00 0.18 C ATOM 914 O VAL A 59 14.279 -1.253 -1.286 1.00 0.27 O ATOM 915 CB VAL A 59 11.809 0.434 -1.751 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.330 0.476 -2.131 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.219 1.789 -1.167 1.00 0.22 C ATOM 0 H VAL A 59 10.930 0.627 0.580 1.00 0.12 H new ATOM 0 HA VAL A 59 11.657 -1.619 -1.089 1.00 0.15 H new ATOM 0 HB VAL A 59 12.413 0.225 -2.634 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.167 1.260 -2.871 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.034 -0.486 -2.550 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.732 0.684 -1.244 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.058 2.569 -1.911 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.618 2.001 -0.283 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.273 1.762 -0.891 1.00 0.22 H new ATOM 927 N ASP A 60 13.983 -0.432 0.733 1.00 0.16 N ATOM 928 CA ASP A 60 15.445 -0.531 1.049 1.00 0.18 C ATOM 929 C ASP A 60 15.720 -1.709 1.990 1.00 0.17 C ATOM 930 O ASP A 60 16.735 -2.368 1.883 1.00 0.18 O ATOM 931 CB ASP A 60 15.902 0.762 1.722 1.00 0.21 C ATOM 932 CG ASP A 60 15.667 1.944 0.778 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.533 2.202 -0.041 1.00 1.08 O ATOM 934 OD2 ASP A 60 14.629 2.572 0.894 1.00 1.11 O ATOM 0 H ASP A 60 13.404 -0.056 1.484 1.00 0.16 H new ATOM 0 HA ASP A 60 15.992 -0.689 0.120 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.355 0.912 2.652 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.959 0.695 1.981 1.00 0.21 H new ATOM 939 N ASP A 61 14.839 -1.976 2.920 1.00 0.17 N ATOM 940 CA ASP A 61 15.072 -3.106 3.875 1.00 0.17 C ATOM 941 C ASP A 61 14.377 -4.371 3.360 1.00 0.16 C ATOM 942 O ASP A 61 14.741 -5.474 3.716 1.00 0.18 O ATOM 943 CB ASP A 61 14.510 -2.729 5.249 1.00 0.19 C ATOM 944 CG ASP A 61 15.087 -3.659 6.319 1.00 0.22 C ATOM 945 OD1 ASP A 61 16.245 -3.488 6.662 1.00 1.07 O ATOM 946 OD2 ASP A 61 14.360 -4.523 6.780 1.00 1.12 O ATOM 0 H ASP A 61 13.969 -1.462 3.061 1.00 0.17 H new ATOM 0 HA ASP A 61 16.142 -3.298 3.959 1.00 0.17 H new ATOM 0 HB2 ASP A 61 14.758 -1.694 5.482 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.422 -2.801 5.239 1.00 0.19 H new ATOM 951 N ALA A 62 13.391 -4.215 2.509 1.00 0.16 N ATOM 952 CA ALA A 62 12.667 -5.399 1.940 1.00 0.16 C ATOM 953 C ALA A 62 12.840 -5.386 0.420 1.00 0.16 C ATOM 954 O ALA A 62 11.895 -5.530 -0.330 1.00 0.15 O ATOM 955 CB ALA A 62 11.179 -5.311 2.293 1.00 0.17 C ATOM 0 H ALA A 62 13.053 -3.310 2.181 1.00 0.16 H new ATOM 0 HA ALA A 62 13.072 -6.322 2.354 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.655 -6.172 1.878 1.00 0.17 H new ATOM 0 HB2 ALA A 62 11.062 -5.302 3.377 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.759 -4.396 1.875 1.00 0.17 H new ATOM 961 N GLN A 63 14.050 -5.201 -0.032 1.00 0.20 N ATOM 962 CA GLN A 63 14.317 -5.159 -1.499 1.00 0.22 C ATOM 963 C GLN A 63 13.768 -6.419 -2.174 1.00 0.20 C ATOM 964 O GLN A 63 13.675 -6.490 -3.383 1.00 0.20 O ATOM 965 CB GLN A 63 15.828 -5.072 -1.728 1.00 0.29 C ATOM 966 CG GLN A 63 16.541 -6.051 -0.794 1.00 0.90 C ATOM 967 CD GLN A 63 18.023 -6.128 -1.165 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.365 -6.448 -2.286 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.924 -5.845 -0.264 1.00 2.22 N ATOM 0 H GLN A 63 14.873 -5.076 0.557 1.00 0.20 H new ATOM 0 HA GLN A 63 13.824 -4.288 -1.930 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.064 -5.306 -2.766 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.177 -4.056 -1.543 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.431 -5.727 0.241 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.085 -7.038 -0.869 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.637 -5.576 0.677 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.915 -5.893 -0.501 1.00 2.22 H new ATOM 978 N ASP A 64 13.405 -7.414 -1.413 1.00 0.19 N ATOM 979 CA ASP A 64 12.868 -8.657 -2.032 1.00 0.20 C ATOM 980 C ASP A 64 11.488 -8.370 -2.626 1.00 0.17 C ATOM 981 O ASP A 64 11.164 -8.813 -3.709 1.00 0.19 O ATOM 982 CB ASP A 64 12.760 -9.749 -0.961 1.00 0.22 C ATOM 983 CG ASP A 64 12.263 -9.133 0.347 1.00 0.23 C ATOM 984 OD1 ASP A 64 13.091 -8.662 1.109 1.00 1.11 O ATOM 985 OD2 ASP A 64 11.063 -9.144 0.566 1.00 1.09 O ATOM 0 H ASP A 64 13.457 -7.420 -0.394 1.00 0.19 H new ATOM 0 HA ASP A 64 13.536 -8.996 -2.824 1.00 0.20 H new ATOM 0 HB2 ASP A 64 12.075 -10.530 -1.291 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.731 -10.220 -0.808 1.00 0.22 H new ATOM 990 N VAL A 65 10.677 -7.623 -1.931 1.00 0.15 N ATOM 991 CA VAL A 65 9.327 -7.303 -2.466 1.00 0.16 C ATOM 992 C VAL A 65 9.473 -6.274 -3.588 1.00 0.16 C ATOM 993 O VAL A 65 8.894 -6.410 -4.649 1.00 0.19 O ATOM 994 CB VAL A 65 8.458 -6.730 -1.345 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.994 -6.714 -1.794 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.605 -7.599 -0.087 1.00 0.18 C ATOM 0 H VAL A 65 10.891 -7.222 -1.018 1.00 0.15 H new ATOM 0 HA VAL A 65 8.855 -8.205 -2.855 1.00 0.16 H new ATOM 0 HB VAL A 65 8.778 -5.713 -1.119 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.373 -6.306 -0.996 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.893 -6.094 -2.685 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.672 -7.730 -2.021 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.986 -7.191 0.712 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.286 -8.617 -0.309 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.648 -7.607 0.230 1.00 0.18 H new ATOM 1006 N ALA A 66 10.254 -5.252 -3.367 1.00 0.16 N ATOM 1007 CA ALA A 66 10.453 -4.222 -4.425 1.00 0.18 C ATOM 1008 C ALA A 66 11.107 -4.884 -5.638 1.00 0.19 C ATOM 1009 O ALA A 66 10.812 -4.560 -6.771 1.00 0.20 O ATOM 1010 CB ALA A 66 11.365 -3.114 -3.895 1.00 0.22 C ATOM 0 H ALA A 66 10.763 -5.086 -2.499 1.00 0.16 H new ATOM 0 HA ALA A 66 9.493 -3.791 -4.709 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.510 -2.361 -4.669 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.906 -2.652 -3.021 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.329 -3.539 -3.617 1.00 0.22 H new ATOM 1016 N SER A 67 11.987 -5.820 -5.407 1.00 0.21 N ATOM 1017 CA SER A 67 12.652 -6.511 -6.543 1.00 0.26 C ATOM 1018 C SER A 67 11.590 -7.267 -7.346 1.00 0.26 C ATOM 1019 O SER A 67 11.569 -7.232 -8.560 1.00 0.29 O ATOM 1020 CB SER A 67 13.696 -7.494 -6.004 1.00 0.31 C ATOM 1021 OG SER A 67 14.862 -6.777 -5.609 1.00 1.29 O ATOM 0 H SER A 67 12.273 -6.135 -4.480 1.00 0.21 H new ATOM 0 HA SER A 67 13.150 -5.784 -7.184 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.289 -8.044 -5.156 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.949 -8.228 -6.769 1.00 0.31 H new ATOM 0 HG SER A 67 14.853 -6.648 -4.638 1.00 1.29 H new ATOM 1027 N GLU A 68 10.700 -7.944 -6.669 1.00 0.26 N ATOM 1028 CA GLU A 68 9.626 -8.696 -7.378 1.00 0.30 C ATOM 1029 C GLU A 68 8.714 -7.707 -8.111 1.00 0.31 C ATOM 1030 O GLU A 68 8.293 -7.945 -9.226 1.00 0.36 O ATOM 1031 CB GLU A 68 8.813 -9.495 -6.349 1.00 0.31 C ATOM 1032 CG GLU A 68 7.625 -10.195 -7.025 1.00 0.39 C ATOM 1033 CD GLU A 68 8.125 -11.089 -8.161 1.00 1.43 C ATOM 1034 OE1 GLU A 68 9.025 -11.876 -7.917 1.00 2.19 O ATOM 1035 OE2 GLU A 68 7.598 -10.973 -9.255 1.00 2.20 O ATOM 0 H GLU A 68 10.672 -8.008 -5.651 1.00 0.26 H new ATOM 0 HA GLU A 68 10.065 -9.381 -8.103 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.452 -10.235 -5.868 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.452 -8.828 -5.566 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.080 -10.792 -6.294 1.00 0.39 H new ATOM 0 HG3 GLU A 68 6.928 -9.453 -7.414 1.00 0.39 H new ATOM 1042 N ALA A 69 8.399 -6.601 -7.488 1.00 0.29 N ATOM 1043 CA ALA A 69 7.508 -5.594 -8.140 1.00 0.31 C ATOM 1044 C ALA A 69 8.347 -4.636 -8.992 1.00 0.29 C ATOM 1045 O ALA A 69 7.829 -3.743 -9.632 1.00 0.33 O ATOM 1046 CB ALA A 69 6.767 -4.803 -7.058 1.00 0.31 C ATOM 0 H ALA A 69 8.721 -6.351 -6.553 1.00 0.29 H new ATOM 0 HA ALA A 69 6.788 -6.104 -8.780 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.115 -4.066 -7.528 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.168 -5.485 -6.455 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.490 -4.294 -6.420 1.00 0.31 H new ATOM 1052 N GLU A 70 9.638 -4.819 -9.011 1.00 0.27 N ATOM 1053 CA GLU A 70 10.512 -3.927 -9.825 1.00 0.29 C ATOM 1054 C GLU A 70 10.147 -2.457 -9.581 1.00 0.25 C ATOM 1055 O GLU A 70 9.916 -1.706 -10.507 1.00 0.26 O ATOM 1056 CB GLU A 70 10.328 -4.256 -11.309 1.00 0.38 C ATOM 1057 CG GLU A 70 10.741 -5.707 -11.567 1.00 1.18 C ATOM 1058 CD GLU A 70 10.809 -5.959 -13.074 1.00 1.61 C ATOM 1059 OE1 GLU A 70 11.554 -5.260 -13.740 1.00 2.06 O ATOM 1060 OE2 GLU A 70 10.114 -6.848 -13.538 1.00 2.34 O ATOM 0 H GLU A 70 10.128 -5.551 -8.496 1.00 0.27 H new ATOM 0 HA GLU A 70 11.550 -4.086 -9.535 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.288 -4.106 -11.599 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.929 -3.582 -11.919 1.00 0.38 H new ATOM 0 HG2 GLU A 70 11.710 -5.907 -11.110 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.025 -6.387 -11.106 1.00 1.18 H new ATOM 1067 N VAL A 71 10.111 -2.036 -8.343 1.00 0.22 N ATOM 1068 CA VAL A 71 9.781 -0.610 -8.047 1.00 0.19 C ATOM 1069 C VAL A 71 11.031 0.246 -8.265 1.00 0.23 C ATOM 1070 O VAL A 71 12.118 -0.124 -7.864 1.00 0.28 O ATOM 1071 CB VAL A 71 9.317 -0.475 -6.597 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.756 0.931 -6.386 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.217 -1.501 -6.307 1.00 0.19 C ATOM 0 H VAL A 71 10.296 -2.617 -7.525 1.00 0.22 H new ATOM 0 HA VAL A 71 8.982 -0.276 -8.709 1.00 0.19 H new ATOM 0 HB VAL A 71 10.159 -0.649 -5.927 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.422 1.038 -5.354 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.532 1.667 -6.595 1.00 0.19 H new ATOM 0 HG13 VAL A 71 7.914 1.091 -7.059 1.00 0.19 H new ATOM 0 HG21 VAL A 71 7.890 -1.401 -5.272 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.372 -1.327 -6.973 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.605 -2.506 -6.469 1.00 0.19 H new ATOM 1083 N LYS A 72 10.891 1.383 -8.906 1.00 0.24 N ATOM 1084 CA LYS A 72 12.075 2.270 -9.163 1.00 0.29 C ATOM 1085 C LYS A 72 11.762 3.698 -8.702 1.00 0.26 C ATOM 1086 O LYS A 72 12.565 4.596 -8.858 1.00 0.27 O ATOM 1087 CB LYS A 72 12.384 2.286 -10.664 1.00 0.35 C ATOM 1088 CG LYS A 72 12.546 0.852 -11.189 1.00 0.43 C ATOM 1089 CD LYS A 72 13.844 0.231 -10.653 1.00 1.16 C ATOM 1090 CE LYS A 72 14.207 -1.000 -11.490 1.00 1.66 C ATOM 1091 NZ LYS A 72 15.291 -1.765 -10.810 1.00 2.40 N ATOM 0 H LYS A 72 10.004 1.737 -9.264 1.00 0.24 H new ATOM 0 HA LYS A 72 12.934 1.888 -8.612 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.581 2.789 -11.202 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.296 2.854 -10.849 1.00 0.35 H new ATOM 0 HG2 LYS A 72 11.692 0.247 -10.883 1.00 0.43 H new ATOM 0 HG3 LYS A 72 12.560 0.856 -12.279 1.00 0.43 H new ATOM 0 HD2 LYS A 72 14.652 0.961 -10.692 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.720 -0.051 -9.607 1.00 1.16 H new ATOM 0 HE2 LYS A 72 13.330 -1.633 -11.623 1.00 1.66 H new ATOM 0 HE3 LYS A 72 14.533 -0.693 -12.484 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 15.536 -2.600 -11.379 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 16.130 -1.159 -10.705 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 14.964 -2.070 -9.871 1.00 2.40 H new ATOM 1105 N ALA A 73 10.603 3.920 -8.134 1.00 0.22 N ATOM 1106 CA ALA A 73 10.251 5.300 -7.665 1.00 0.20 C ATOM 1107 C ALA A 73 9.282 5.199 -6.483 1.00 0.18 C ATOM 1108 O ALA A 73 8.284 4.519 -6.557 1.00 0.16 O ATOM 1109 CB ALA A 73 9.588 6.074 -8.816 1.00 0.21 C ATOM 0 H ALA A 73 9.887 3.211 -7.974 1.00 0.22 H new ATOM 0 HA ALA A 73 11.153 5.825 -7.350 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.331 7.078 -8.479 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.279 6.140 -9.656 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.683 5.554 -9.131 1.00 0.21 H new ATOM 1115 N THR A 74 9.576 5.872 -5.391 1.00 0.18 N ATOM 1116 CA THR A 74 8.674 5.812 -4.192 1.00 0.17 C ATOM 1117 C THR A 74 8.029 7.193 -3.967 1.00 0.17 C ATOM 1118 O THR A 74 8.645 8.195 -4.273 1.00 0.19 O ATOM 1119 CB THR A 74 9.513 5.462 -2.948 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.552 6.415 -2.803 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.138 4.062 -3.070 1.00 0.19 C ATOM 0 H THR A 74 10.402 6.460 -5.279 1.00 0.18 H new ATOM 0 HA THR A 74 7.903 5.059 -4.356 1.00 0.17 H new ATOM 0 HB THR A 74 8.854 5.474 -2.080 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.087 6.197 -2.012 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.723 3.846 -2.176 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.348 3.319 -3.175 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.786 4.028 -3.945 1.00 0.19 H new ATOM 1129 N PRO A 75 6.831 7.235 -3.402 1.00 0.17 N ATOM 1130 CA PRO A 75 6.032 6.046 -3.006 1.00 0.16 C ATOM 1131 C PRO A 75 5.357 5.436 -4.247 1.00 0.14 C ATOM 1132 O PRO A 75 4.934 6.151 -5.135 1.00 0.14 O ATOM 1133 CB PRO A 75 4.960 6.611 -2.044 1.00 0.17 C ATOM 1134 CG PRO A 75 4.999 8.163 -2.169 1.00 0.20 C ATOM 1135 CD PRO A 75 6.194 8.525 -3.078 1.00 0.19 C ATOM 0 HA PRO A 75 6.636 5.264 -2.547 1.00 0.16 H new ATOM 0 HB2 PRO A 75 3.972 6.229 -2.302 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.163 6.303 -1.018 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.067 8.537 -2.593 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.110 8.624 -1.188 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.862 9.039 -3.980 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.890 9.192 -2.569 1.00 0.19 H new ATOM 1143 N THR A 76 5.223 4.129 -4.302 1.00 0.13 N ATOM 1144 CA THR A 76 4.539 3.482 -5.474 1.00 0.12 C ATOM 1145 C THR A 76 3.244 2.850 -4.978 1.00 0.12 C ATOM 1146 O THR A 76 3.259 1.900 -4.220 1.00 0.18 O ATOM 1147 CB THR A 76 5.430 2.386 -6.090 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.775 2.823 -6.073 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.004 2.121 -7.543 1.00 0.13 C ATOM 0 H THR A 76 5.557 3.482 -3.587 1.00 0.13 H new ATOM 0 HA THR A 76 4.341 4.235 -6.237 1.00 0.12 H new ATOM 0 HB THR A 76 5.326 1.468 -5.512 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.807 3.790 -6.228 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.638 1.345 -7.972 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.965 1.793 -7.563 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.107 3.037 -8.125 1.00 0.13 H new ATOM 1157 N PHE A 77 2.117 3.363 -5.388 1.00 0.09 N ATOM 1158 CA PHE A 77 0.833 2.769 -4.918 1.00 0.09 C ATOM 1159 C PHE A 77 0.441 1.624 -5.835 1.00 0.09 C ATOM 1160 O PHE A 77 0.225 1.800 -7.018 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.267 3.826 -4.910 1.00 0.10 C ATOM 1162 CG PHE A 77 0.035 4.820 -3.824 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.202 4.468 -2.485 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.558 6.088 -4.143 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.080 5.387 -1.457 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.840 7.009 -3.115 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.600 6.660 -1.772 1.00 0.12 C ATOM 0 H PHE A 77 2.029 4.158 -6.021 1.00 0.09 H new ATOM 0 HA PHE A 77 0.964 2.394 -3.903 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.319 4.326 -5.877 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.238 3.361 -4.739 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.600 3.493 -2.245 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.742 6.354 -5.173 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.102 5.118 -0.427 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.240 7.983 -3.357 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.814 7.366 -0.984 1.00 0.12 H new ATOM 1177 N GLN A 78 0.350 0.447 -5.282 1.00 0.07 N ATOM 1178 CA GLN A 78 -0.025 -0.752 -6.078 1.00 0.07 C ATOM 1179 C GLN A 78 -1.332 -1.301 -5.520 1.00 0.06 C ATOM 1180 O GLN A 78 -1.505 -1.420 -4.322 1.00 0.07 O ATOM 1181 CB GLN A 78 1.082 -1.802 -5.943 1.00 0.08 C ATOM 1182 CG GLN A 78 2.449 -1.146 -6.177 1.00 0.12 C ATOM 1183 CD GLN A 78 3.480 -2.218 -6.541 1.00 0.14 C ATOM 1184 OE1 GLN A 78 4.581 -2.218 -6.028 1.00 0.81 O ATOM 1185 NE2 GLN A 78 3.165 -3.139 -7.410 1.00 1.03 N ATOM 0 H GLN A 78 0.523 0.264 -4.294 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.149 -0.497 -7.130 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.049 -2.253 -4.951 1.00 0.08 H new ATOM 0 HB3 GLN A 78 0.925 -2.605 -6.664 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.378 -0.410 -6.977 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.766 -0.613 -5.281 1.00 0.12 H new ATOM 0 HE21 GLN A 78 2.240 -3.139 -7.841 1.00 1.03 H new ATOM 0 HE22 GLN A 78 3.843 -3.859 -7.659 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.261 -1.613 -6.381 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.585 -2.131 -5.922 1.00 0.07 C ATOM 1196 C PHE A 79 -3.686 -3.616 -6.249 1.00 0.07 C ATOM 1197 O PHE A 79 -3.526 -4.027 -7.381 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.694 -1.360 -6.645 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.626 0.095 -6.235 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.562 0.897 -6.677 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.612 0.642 -5.400 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.480 2.248 -6.288 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.535 1.989 -5.001 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.470 2.793 -5.446 1.00 0.11 C ATOM 0 H PHE A 79 -2.160 -1.531 -7.393 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.689 -1.996 -4.845 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.576 -1.453 -7.725 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.669 -1.777 -6.394 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.802 0.476 -7.319 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.433 0.027 -5.062 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.662 2.863 -6.633 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.293 2.405 -4.354 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.411 3.828 -5.142 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.952 -4.422 -5.253 1.00 0.07 N ATOM 1215 CA PHE A 80 -4.069 -5.895 -5.465 1.00 0.08 C ATOM 1216 C PHE A 80 -5.444 -6.354 -4.989 1.00 0.11 C ATOM 1217 O PHE A 80 -6.072 -5.724 -4.160 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.994 -6.619 -4.648 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.641 -6.436 -5.295 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.268 -7.237 -6.392 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.747 -5.470 -4.795 1.00 0.09 C ATOM 1222 CE1 PHE A 80 -0.002 -7.073 -6.988 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.519 -5.305 -5.390 1.00 0.11 C ATOM 1224 CZ PHE A 80 0.891 -6.106 -6.487 1.00 0.14 C ATOM 0 H PHE A 80 -4.095 -4.117 -4.290 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.939 -6.124 -6.523 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.975 -6.229 -3.630 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.232 -7.680 -4.578 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.953 -7.978 -6.777 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -1.032 -4.855 -3.954 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.283 -7.688 -7.828 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.204 -4.564 -5.005 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.861 -5.979 -6.944 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.911 -7.452 -5.506 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.238 -7.974 -5.093 1.00 0.14 C ATOM 1236 C LYS A 81 -7.216 -9.480 -5.325 1.00 0.14 C ATOM 1237 O LYS A 81 -6.905 -9.934 -6.402 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.335 -7.310 -5.942 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.695 -7.414 -5.234 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.734 -6.579 -5.994 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.966 -6.359 -5.110 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.583 -7.674 -4.780 1.00 1.48 N ATOM 0 H LYS A 81 -5.425 -8.015 -6.204 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.446 -7.756 -4.046 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -8.087 -6.263 -6.115 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.389 -7.790 -6.919 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -10.014 -8.455 -5.187 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.610 -7.060 -4.207 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.304 -5.619 -6.281 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -11.021 -7.088 -6.914 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.682 -5.839 -4.195 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.688 -5.726 -5.626 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.535 -7.523 -4.389 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.651 -8.252 -5.642 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -11.995 -8.167 -4.078 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.507 -10.258 -4.323 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.464 -11.736 -4.498 1.00 0.20 C ATOM 1258 C LYS A 82 -6.094 -12.152 -5.045 1.00 0.20 C ATOM 1259 O LYS A 82 -5.991 -13.029 -5.879 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.546 -12.182 -5.488 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.929 -12.082 -4.841 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.010 -12.493 -5.858 1.00 0.36 C ATOM 1263 CE LYS A 82 -12.350 -11.853 -5.485 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.311 -10.401 -5.816 1.00 1.67 N ATOM 0 H LYS A 82 -7.772 -9.937 -3.392 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.638 -12.206 -3.530 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.509 -11.560 -6.382 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.358 -13.208 -5.805 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.978 -12.727 -3.964 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.108 -11.063 -4.498 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.715 -12.182 -6.860 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.109 -13.578 -5.878 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -13.162 -12.339 -6.026 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -12.548 -11.990 -4.422 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -12.140 -9.852 -4.949 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -11.546 -10.221 -6.497 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.220 -10.116 -6.233 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.041 -11.543 -4.577 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.683 -11.921 -5.066 1.00 0.21 C ATOM 1280 C GLY A 83 -3.501 -11.486 -6.523 1.00 0.19 C ATOM 1281 O GLY A 83 -2.520 -11.826 -7.155 1.00 0.22 O ATOM 0 H GLY A 83 -5.060 -10.801 -3.878 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.921 -11.453 -4.442 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.546 -12.999 -4.982 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.437 -10.742 -7.066 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.319 -10.288 -8.496 1.00 0.17 C ATOM 1287 C GLN A 84 -4.112 -8.768 -8.555 1.00 0.16 C ATOM 1288 O GLN A 84 -4.664 -8.023 -7.775 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.609 -10.650 -9.249 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.583 -12.129 -9.643 1.00 0.23 C ATOM 1291 CD GLN A 84 -4.651 -12.311 -10.840 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -4.569 -13.381 -11.411 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -3.942 -11.293 -11.246 1.00 2.08 N ATOM 0 H GLN A 84 -5.279 -10.428 -6.583 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.464 -10.783 -8.957 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.476 -10.447 -8.621 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.708 -10.029 -10.139 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.241 -12.736 -8.804 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -6.588 -12.469 -9.894 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -4.014 -10.397 -10.764 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -3.316 -11.394 -12.045 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.326 -8.306 -9.496 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.088 -6.836 -9.627 1.00 0.17 C ATOM 1304 C LYS A 85 -4.205 -6.225 -10.471 1.00 0.16 C ATOM 1305 O LYS A 85 -4.711 -6.848 -11.383 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.744 -6.583 -10.315 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.550 -5.074 -10.508 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.079 -4.770 -10.815 1.00 0.30 C ATOM 1309 CE LYS A 85 0.323 -5.412 -12.147 1.00 0.89 C ATOM 1310 NZ LYS A 85 0.629 -6.853 -11.929 1.00 1.70 N ATOM 0 H LYS A 85 -2.838 -8.885 -10.180 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.074 -6.383 -8.636 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.932 -6.992 -9.714 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.714 -7.091 -11.279 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.181 -4.719 -11.323 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.860 -4.541 -9.609 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.076 -3.692 -10.860 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.554 -5.150 -10.013 1.00 0.30 H new ATOM 0 HE2 LYS A 85 -0.483 -5.306 -12.873 1.00 0.89 H new ATOM 0 HE3 LYS A 85 1.193 -4.903 -12.561 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 1.497 -7.105 -12.443 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 0.765 -7.029 -10.913 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 -0.161 -7.432 -12.278 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.601 -5.011 -10.169 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.698 -4.350 -10.947 1.00 0.16 C ATOM 1326 C VAL A 86 -5.262 -2.948 -11.388 1.00 0.18 C ATOM 1327 O VAL A 86 -5.977 -2.265 -12.094 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.943 -4.251 -10.066 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.436 -5.658 -9.726 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.600 -3.510 -8.770 1.00 0.17 C ATOM 0 H VAL A 86 -4.210 -4.447 -9.414 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.920 -4.942 -11.835 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.721 -3.706 -10.601 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.324 -5.590 -9.098 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.682 -6.190 -10.645 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.654 -6.198 -9.192 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.490 -3.441 -8.144 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.821 -4.054 -8.235 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.245 -2.507 -9.007 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.098 -2.508 -10.986 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.636 -1.146 -11.400 1.00 0.18 C ATOM 1342 C GLY A 87 -2.567 -0.631 -10.433 1.00 0.10 C ATOM 1343 O GLY A 87 -2.254 -1.263 -9.443 1.00 0.08 O ATOM 0 H GLY A 87 -3.450 -3.027 -10.393 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.233 -1.183 -12.412 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.481 -0.458 -11.419 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.009 0.519 -10.712 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.963 1.082 -9.810 1.00 0.10 C ATOM 1349 C GLU A 88 -0.587 2.493 -10.257 1.00 0.10 C ATOM 1350 O GLU A 88 -0.822 2.884 -11.383 1.00 0.11 O ATOM 1351 CB GLU A 88 0.284 0.196 -9.854 1.00 0.17 C ATOM 1352 CG GLU A 88 0.759 0.035 -11.300 1.00 0.25 C ATOM 1353 CD GLU A 88 2.047 -0.791 -11.323 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.518 -1.147 -10.255 1.00 2.04 O ATOM 1355 OE2 GLU A 88 2.542 -1.051 -12.408 1.00 1.94 O ATOM 0 H GLU A 88 -2.233 1.092 -11.526 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.357 1.118 -8.795 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.076 0.638 -9.249 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.062 -0.781 -9.424 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.011 -0.456 -11.895 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.933 1.013 -11.748 1.00 0.25 H new ATOM 1362 N PHE A 89 0.017 3.253 -9.384 1.00 0.09 N ATOM 1363 CA PHE A 89 0.434 4.631 -9.762 1.00 0.09 C ATOM 1364 C PHE A 89 1.351 5.214 -8.685 1.00 0.09 C ATOM 1365 O PHE A 89 1.063 5.162 -7.510 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.796 5.534 -9.988 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.418 5.980 -8.677 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.783 6.957 -7.881 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.650 5.429 -8.258 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.374 7.376 -6.675 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.239 5.852 -7.052 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.600 6.826 -6.260 1.00 0.11 C ATOM 0 H PHE A 89 0.239 2.979 -8.427 1.00 0.09 H new ATOM 0 HA PHE A 89 0.987 4.584 -10.700 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.502 6.409 -10.567 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.538 4.996 -10.578 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.157 7.383 -8.198 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.140 4.682 -8.864 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.885 8.122 -6.066 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.181 5.430 -6.734 1.00 0.10 H new ATOM 0 HZ PHE A 89 -3.052 7.150 -5.334 1.00 0.11 H new ATOM 1382 N SER A 90 2.466 5.772 -9.085 1.00 0.13 N ATOM 1383 CA SER A 90 3.422 6.371 -8.098 1.00 0.14 C ATOM 1384 C SER A 90 3.271 7.892 -8.118 1.00 0.14 C ATOM 1385 O SER A 90 2.278 8.421 -8.578 1.00 0.17 O ATOM 1386 CB SER A 90 4.850 5.996 -8.489 1.00 0.15 C ATOM 1387 OG SER A 90 5.299 6.868 -9.519 1.00 0.16 O ATOM 0 H SER A 90 2.759 5.840 -10.060 1.00 0.13 H new ATOM 0 HA SER A 90 3.208 5.994 -7.098 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.508 6.069 -7.623 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.886 4.962 -8.831 1.00 0.15 H new ATOM 0 HG SER A 90 5.943 7.507 -9.149 1.00 0.16 H new ATOM 1393 N GLY A 91 4.244 8.601 -7.619 1.00 0.12 N ATOM 1394 CA GLY A 91 4.150 10.089 -7.607 1.00 0.13 C ATOM 1395 C GLY A 91 3.272 10.524 -6.435 1.00 0.13 C ATOM 1396 O GLY A 91 2.194 10.002 -6.230 1.00 0.13 O ATOM 0 H GLY A 91 5.100 8.216 -7.219 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.144 10.528 -7.516 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.728 10.447 -8.546 1.00 0.13 H new ATOM 1400 N ALA A 92 3.727 11.461 -5.652 1.00 0.15 N ATOM 1401 CA ALA A 92 2.914 11.905 -4.483 1.00 0.17 C ATOM 1402 C ALA A 92 1.554 12.448 -4.938 1.00 0.15 C ATOM 1403 O ALA A 92 1.424 13.600 -5.299 1.00 0.16 O ATOM 1404 CB ALA A 92 3.666 13.000 -3.716 1.00 0.20 C ATOM 0 H ALA A 92 4.621 11.937 -5.768 1.00 0.15 H new ATOM 0 HA ALA A 92 2.748 11.045 -3.835 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.069 13.322 -2.863 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.620 12.608 -3.364 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.844 13.849 -4.375 1.00 0.20 H new ATOM 1410 N ASN A 93 0.533 11.632 -4.888 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.834 12.095 -5.277 1.00 0.13 C ATOM 1412 C ASN A 93 -1.842 11.458 -4.314 1.00 0.12 C ATOM 1413 O ASN A 93 -2.517 10.503 -4.643 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.142 11.675 -6.721 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.262 12.557 -7.283 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.303 12.701 -6.673 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.085 13.164 -8.424 1.00 1.15 N ATOM 0 H ASN A 93 0.588 10.657 -4.592 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.895 13.182 -5.220 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.247 11.769 -7.337 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.441 10.627 -6.750 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -2.821 13.760 -8.804 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.211 13.043 -8.936 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.921 11.967 -3.116 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.855 11.386 -2.106 1.00 0.20 C ATOM 1426 C LYS A 94 -4.309 11.546 -2.558 1.00 0.18 C ATOM 1427 O LYS A 94 -5.151 10.726 -2.253 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.652 12.083 -0.752 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.561 13.621 -0.936 1.00 0.38 C ATOM 1430 CD LYS A 94 -1.090 14.079 -0.941 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.571 14.211 0.498 1.00 0.78 C ATOM 1432 NZ LYS A 94 -0.976 15.532 1.054 1.00 1.19 N ATOM 0 H LYS A 94 -1.376 12.765 -2.790 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.639 10.322 -2.005 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.479 11.840 -0.084 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.742 11.714 -0.280 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -3.041 13.910 -1.871 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -3.101 14.122 -0.132 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.480 13.362 -1.491 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -1.001 15.035 -1.457 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.971 13.407 1.115 1.00 0.78 H new ATOM 0 HE3 LYS A 94 0.515 14.115 0.514 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 -0.131 16.119 1.204 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 -1.615 16.009 0.386 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 -1.466 15.392 1.961 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.621 12.585 -3.282 1.00 0.19 N ATOM 1447 CA GLU A 95 -6.026 12.762 -3.735 1.00 0.20 C ATOM 1448 C GLU A 95 -6.380 11.627 -4.699 1.00 0.17 C ATOM 1449 O GLU A 95 -7.523 11.240 -4.834 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.161 14.105 -4.453 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.776 15.237 -3.499 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.773 15.292 -2.340 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -6.572 14.571 -1.377 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -7.720 16.055 -2.434 1.00 1.86 O ATOM 0 H GLU A 95 -3.969 13.312 -3.577 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.700 12.743 -2.879 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.519 14.124 -5.334 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.185 14.242 -4.801 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -4.768 15.077 -3.117 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.769 16.188 -4.031 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.394 11.087 -5.360 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.644 9.970 -6.311 1.00 0.14 C ATOM 1463 C LYS A 96 -6.043 8.721 -5.523 1.00 0.12 C ATOM 1464 O LYS A 96 -6.876 7.951 -5.947 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.368 9.693 -7.113 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.673 8.725 -8.263 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.466 8.635 -9.217 1.00 0.24 C ATOM 1468 CE LYS A 96 -3.523 9.759 -10.262 1.00 1.18 C ATOM 1469 NZ LYS A 96 -4.808 9.678 -11.014 1.00 2.05 N ATOM 0 H LYS A 96 -4.419 11.375 -5.281 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.448 10.238 -6.996 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -3.967 10.626 -7.509 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.604 9.268 -6.462 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.905 7.737 -7.865 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.553 9.064 -8.809 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.539 8.706 -8.648 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.461 7.666 -9.716 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -3.437 10.729 -9.772 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -2.682 9.673 -10.950 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -4.661 10.008 -11.989 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -5.140 8.693 -11.028 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -5.520 10.277 -10.550 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.453 8.517 -4.376 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.806 7.319 -3.561 1.00 0.11 C ATOM 1485 C LEU A 97 -7.321 7.280 -3.357 1.00 0.11 C ATOM 1486 O LEU A 97 -7.939 6.235 -3.397 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.128 7.407 -2.181 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.654 7.001 -2.274 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.986 7.291 -0.924 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.532 5.497 -2.625 1.00 0.13 C ATOM 0 H LEU A 97 -4.744 9.126 -3.969 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.469 6.422 -4.080 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.207 8.424 -1.796 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.645 6.758 -1.474 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.160 7.571 -3.061 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.934 7.008 -0.970 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.066 8.355 -0.699 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.482 6.717 -0.142 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.479 5.222 -2.688 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -4.017 4.902 -1.851 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -4.014 5.307 -3.584 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.919 8.414 -3.121 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.394 8.445 -2.893 1.00 0.14 C ATOM 1504 C GLU A 98 -10.122 8.016 -4.172 1.00 0.13 C ATOM 1505 O GLU A 98 -10.902 7.084 -4.174 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.817 9.872 -2.510 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.168 9.842 -1.780 1.00 0.21 C ATOM 1508 CD GLU A 98 -10.957 9.447 -0.316 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -9.910 8.897 -0.016 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -11.846 9.702 0.480 1.00 2.15 O ATOM 0 H GLU A 98 -7.453 9.320 -3.076 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.654 7.759 -2.087 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.059 10.326 -1.871 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.891 10.490 -3.405 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.645 10.821 -1.837 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.838 9.132 -2.265 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.881 8.703 -5.254 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.561 8.358 -6.535 1.00 0.14 C ATOM 1519 C ALA A 99 -10.233 6.921 -6.954 1.00 0.12 C ATOM 1520 O ALA A 99 -11.078 6.211 -7.454 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.092 9.320 -7.628 1.00 0.15 C ATOM 0 H ALA A 99 -9.238 9.493 -5.307 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.638 8.443 -6.393 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.586 9.072 -8.567 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.342 10.342 -7.345 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -9.013 9.232 -7.752 1.00 0.15 H new ATOM 1527 N THR A 100 -9.013 6.494 -6.773 1.00 0.11 N ATOM 1528 CA THR A 100 -8.632 5.109 -7.186 1.00 0.11 C ATOM 1529 C THR A 100 -9.350 4.076 -6.312 1.00 0.10 C ATOM 1530 O THR A 100 -9.927 3.128 -6.804 1.00 0.11 O ATOM 1531 CB THR A 100 -7.118 4.935 -7.046 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.459 5.992 -7.731 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.699 3.595 -7.652 1.00 0.12 C ATOM 0 H THR A 100 -8.261 7.044 -6.357 1.00 0.11 H new ATOM 0 HA THR A 100 -8.926 4.956 -8.224 1.00 0.11 H new ATOM 0 HB THR A 100 -6.844 4.956 -5.991 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.560 6.824 -7.223 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.621 3.472 -7.552 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.207 2.785 -7.129 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.970 3.572 -8.707 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.320 4.250 -5.021 1.00 0.10 N ATOM 1542 CA ILE A 101 -10.006 3.273 -4.121 1.00 0.11 C ATOM 1543 C ILE A 101 -11.498 3.236 -4.470 1.00 0.13 C ATOM 1544 O ILE A 101 -12.068 2.183 -4.675 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.819 3.716 -2.659 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.345 3.508 -2.245 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.738 2.885 -1.749 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.996 4.386 -1.032 1.00 0.18 C ATOM 0 H ILE A 101 -8.852 5.023 -4.548 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.580 2.278 -4.251 1.00 0.11 H new ATOM 0 HB ILE A 101 -10.076 4.771 -2.560 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.174 2.459 -2.003 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.689 3.754 -3.080 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.605 3.199 -0.714 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.776 3.037 -2.044 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.485 1.829 -1.843 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.954 4.226 -0.755 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.147 5.435 -1.287 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.639 4.120 -0.193 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.134 4.372 -4.543 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.587 4.393 -4.881 1.00 0.17 C ATOM 1562 C ASN A 102 -13.796 3.782 -6.270 1.00 0.18 C ATOM 1563 O ASN A 102 -14.894 3.419 -6.640 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.088 5.838 -4.881 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.607 5.854 -5.070 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.100 5.574 -6.145 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.374 6.170 -4.062 1.00 1.03 N ATOM 0 H ASN A 102 -11.712 5.287 -4.384 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.141 3.815 -4.142 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.823 6.326 -3.943 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.606 6.401 -5.680 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.387 6.182 -4.176 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.960 6.405 -3.160 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.752 3.678 -7.043 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.883 3.103 -8.412 1.00 0.18 C ATOM 1576 C GLU A 103 -12.956 1.573 -8.344 1.00 0.19 C ATOM 1577 O GLU A 103 -13.905 0.962 -8.792 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.663 3.513 -9.249 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.984 3.381 -10.741 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.866 4.551 -11.185 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -12.526 5.677 -10.865 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -13.865 4.300 -11.839 1.00 2.02 O ATOM 0 H GLU A 103 -11.809 3.968 -6.785 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.797 3.481 -8.869 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.382 4.541 -9.018 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.809 2.885 -8.995 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -11.061 3.368 -11.321 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.494 2.436 -10.931 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.936 0.954 -7.812 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.901 -0.538 -7.737 1.00 0.19 C ATOM 1591 C LEU A 104 -12.475 -1.030 -6.406 1.00 0.19 C ATOM 1592 O LEU A 104 -12.220 -2.144 -5.991 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.447 -0.996 -7.861 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.766 -0.238 -9.004 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.338 -0.754 -9.176 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.549 -0.449 -10.306 1.00 0.35 C ATOM 0 H LEU A 104 -11.118 1.422 -7.422 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.505 -0.951 -8.545 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.917 -0.816 -6.925 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.408 -2.069 -8.048 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.743 0.826 -8.768 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.852 -0.215 -9.989 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.781 -0.597 -8.253 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.361 -1.819 -9.409 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -10.060 0.092 -11.116 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.577 -1.512 -10.545 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.566 -0.077 -10.183 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.245 -0.226 -5.732 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.821 -0.680 -4.435 1.00 0.22 C ATOM 1610 C VAL A 105 -14.772 -1.853 -4.685 1.00 0.26 C ATOM 1611 O VAL A 105 -15.194 -2.017 -5.818 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.586 0.471 -3.778 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.629 1.015 -4.757 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.286 -0.033 -2.509 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.062 -2.568 -3.740 1.00 1.18 O ATOM 0 H VAL A 105 -13.500 0.719 -6.018 1.00 0.20 H new ATOM 0 HA VAL A 105 -13.016 -0.998 -3.773 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.888 1.265 -3.513 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.174 1.835 -4.289 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.130 1.377 -5.656 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.327 0.221 -5.024 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.830 0.788 -2.043 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.984 -0.829 -2.770 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.542 -0.417 -1.811 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 23.226 0.434 5.917 1.00 0.00 N ATOM 1627 CA PHE B 1 22.576 1.553 5.180 1.00 0.00 C ATOM 1628 C PHE B 1 21.294 1.046 4.510 1.00 0.00 C ATOM 1629 O PHE B 1 21.181 -0.116 4.174 1.00 0.00 O ATOM 1630 CB PHE B 1 23.550 2.102 4.121 1.00 0.00 C ATOM 1631 CG PHE B 1 23.588 1.191 2.910 1.00 0.00 C ATOM 1632 CD1 PHE B 1 24.495 0.113 2.863 1.00 0.00 C ATOM 1633 CD2 PHE B 1 22.711 1.421 1.833 1.00 0.00 C ATOM 1634 CE1 PHE B 1 24.524 -0.730 1.735 1.00 0.00 C ATOM 1635 CE2 PHE B 1 22.741 0.577 0.707 1.00 0.00 C ATOM 1636 CZ PHE B 1 23.647 -0.499 0.658 1.00 0.00 C ATOM 0 H1 PHE B 1 23.785 0.817 6.706 1.00 0.00 H new ATOM 0 H2 PHE B 1 22.496 -0.207 6.289 1.00 0.00 H new ATOM 0 H3 PHE B 1 23.851 -0.090 5.272 1.00 0.00 H new ATOM 0 HA PHE B 1 22.320 2.353 5.874 1.00 0.00 H new ATOM 0 HB2 PHE B 1 23.242 3.104 3.820 1.00 0.00 H new ATOM 0 HB3 PHE B 1 24.549 2.190 4.548 1.00 0.00 H new ATOM 0 HD1 PHE B 1 25.166 -0.066 3.690 1.00 0.00 H new ATOM 0 HD2 PHE B 1 22.015 2.246 1.871 1.00 0.00 H new ATOM 0 HE1 PHE B 1 25.220 -1.555 1.696 1.00 0.00 H new ATOM 0 HE2 PHE B 1 22.069 0.755 -0.119 1.00 0.00 H new ATOM 0 HZ PHE B 1 23.669 -1.147 -0.205 1.00 0.00 H new ATOM 1648 N ARG B 2 20.333 1.913 4.306 1.00 0.00 N ATOM 1649 CA ARG B 2 19.054 1.497 3.646 1.00 0.00 C ATOM 1650 C ARG B 2 18.704 2.506 2.548 1.00 0.00 C ATOM 1651 O ARG B 2 17.832 3.338 2.703 1.00 0.00 O ATOM 1652 CB ARG B 2 17.927 1.443 4.691 1.00 0.00 C ATOM 1653 CG ARG B 2 18.365 0.580 5.916 1.00 0.00 C ATOM 1654 CD ARG B 2 18.807 1.454 7.125 1.00 0.00 C ATOM 1655 NE ARG B 2 17.881 1.247 8.291 1.00 0.00 N ATOM 1656 CZ ARG B 2 16.577 1.301 8.159 1.00 0.00 C ATOM 1657 NH1 ARG B 2 16.037 1.601 7.011 1.00 0.00 N ATOM 1658 NH2 ARG B 2 15.812 1.066 9.190 1.00 0.00 N ATOM 0 H ARG B 2 20.379 2.897 4.570 1.00 0.00 H new ATOM 0 HA ARG B 2 19.172 0.508 3.204 1.00 0.00 H new ATOM 0 HB2 ARG B 2 17.677 2.452 5.019 1.00 0.00 H new ATOM 0 HB3 ARG B 2 17.027 1.021 4.244 1.00 0.00 H new ATOM 0 HG2 ARG B 2 17.539 -0.064 6.218 1.00 0.00 H new ATOM 0 HG3 ARG B 2 19.187 -0.073 5.623 1.00 0.00 H new ATOM 0 HD2 ARG B 2 19.827 1.198 7.413 1.00 0.00 H new ATOM 0 HD3 ARG B 2 18.811 2.506 6.839 1.00 0.00 H new ATOM 0 HE ARG B 2 18.278 1.059 9.212 1.00 0.00 H new ATOM 0 HH11 ARG B 2 16.630 1.797 6.204 1.00 0.00 H new ATOM 0 HH12 ARG B 2 15.022 1.640 6.920 1.00 0.00 H new ATOM 0 HH21 ARG B 2 16.229 0.842 10.094 1.00 0.00 H new ATOM 0 HH22 ARG B 2 14.798 1.107 9.092 1.00 0.00 H new ATOM 1672 N PHE B 3 19.387 2.426 1.432 1.00 0.00 N ATOM 1673 CA PHE B 3 19.124 3.361 0.292 1.00 0.00 C ATOM 1674 C PHE B 3 18.961 2.541 -0.994 1.00 0.00 C ATOM 1675 O PHE B 3 19.633 1.546 -1.187 1.00 0.00 O ATOM 1676 CB PHE B 3 20.319 4.310 0.133 1.00 0.00 C ATOM 1677 CG PHE B 3 20.274 5.387 1.195 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.613 5.080 2.529 1.00 0.00 C ATOM 1679 CD2 PHE B 3 19.907 6.702 0.849 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.585 6.087 3.512 1.00 0.00 C ATOM 1681 CE2 PHE B 3 19.878 7.709 1.834 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.217 7.401 3.165 1.00 0.00 C ATOM 0 H PHE B 3 20.125 1.744 1.260 1.00 0.00 H new ATOM 0 HA PHE B 3 18.219 3.937 0.485 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.251 3.750 0.212 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.303 4.765 -0.858 1.00 0.00 H new ATOM 0 HD1 PHE B 3 20.894 4.072 2.796 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.648 6.939 -0.172 1.00 0.00 H new ATOM 0 HE1 PHE B 3 20.846 5.852 4.533 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.596 8.717 1.568 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.195 8.173 3.920 1.00 0.00 H new ATOM 1692 N ARG B 4 18.081 2.950 -1.878 1.00 0.00 N ATOM 1693 CA ARG B 4 17.881 2.194 -3.160 1.00 0.00 C ATOM 1694 C ARG B 4 17.787 3.191 -4.325 1.00 0.00 C ATOM 1695 O ARG B 4 18.754 3.404 -5.030 1.00 0.00 O ATOM 1696 CB ARG B 4 16.598 1.348 -3.066 1.00 0.00 C ATOM 1697 CG ARG B 4 16.668 0.158 -4.053 1.00 0.00 C ATOM 1698 CD ARG B 4 17.338 -1.067 -3.410 1.00 0.00 C ATOM 1699 NE ARG B 4 16.970 -2.279 -4.198 1.00 0.00 N ATOM 1700 CZ ARG B 4 17.625 -3.396 -4.037 1.00 0.00 C ATOM 1701 NH1 ARG B 4 18.613 -3.458 -3.188 1.00 0.00 N ATOM 1702 NH2 ARG B 4 17.289 -4.453 -4.726 1.00 0.00 N ATOM 0 H ARG B 4 17.491 3.775 -1.768 1.00 0.00 H new ATOM 0 HA ARG B 4 18.725 1.526 -3.333 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.471 0.979 -2.048 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.729 1.966 -3.291 1.00 0.00 H new ATOM 0 HG2 ARG B 4 15.662 -0.105 -4.379 1.00 0.00 H new ATOM 0 HG3 ARG B 4 17.224 0.454 -4.942 1.00 0.00 H new ATOM 0 HD2 ARG B 4 18.421 -0.941 -3.393 1.00 0.00 H new ATOM 0 HD3 ARG B 4 17.014 -1.176 -2.375 1.00 0.00 H new ATOM 0 HE ARG B 4 16.201 -2.234 -4.867 1.00 0.00 H new ATOM 0 HH11 ARG B 4 18.875 -2.633 -2.649 1.00 0.00 H new ATOM 0 HH12 ARG B 4 19.124 -4.332 -3.063 1.00 0.00 H new ATOM 0 HH21 ARG B 4 16.515 -4.405 -5.389 1.00 0.00 H new ATOM 0 HH22 ARG B 4 17.800 -5.327 -4.601 1.00 0.00 H new ATOM 1716 N TYR B 5 16.643 3.814 -4.531 1.00 0.00 N ATOM 1717 CA TYR B 5 16.509 4.812 -5.649 1.00 0.00 C ATOM 1718 C TYR B 5 15.917 6.128 -5.118 1.00 0.00 C ATOM 1719 O TYR B 5 15.884 6.369 -3.927 1.00 0.00 O ATOM 1720 CB TYR B 5 15.648 4.244 -6.792 1.00 0.00 C ATOM 1721 CG TYR B 5 14.482 3.444 -6.268 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.632 2.074 -5.979 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.233 4.062 -6.109 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.526 1.327 -5.522 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.132 3.317 -5.658 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.277 1.950 -5.362 1.00 0.00 C ATOM 1727 OH TYR B 5 11.194 1.222 -4.917 1.00 0.00 O ATOM 0 H TYR B 5 15.800 3.674 -3.975 1.00 0.00 H new ATOM 0 HA TYR B 5 17.501 5.017 -6.051 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.279 5.062 -7.411 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.264 3.613 -7.432 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.592 1.596 -6.107 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.118 5.112 -6.334 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.639 0.277 -5.295 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.171 3.795 -5.538 1.00 0.00 H new ATOM 0 HH TYR B 5 11.499 0.354 -4.581 1.00 0.00 H new ATOM 1737 N VAL B 6 15.505 7.005 -6.000 1.00 0.00 N ATOM 1738 CA VAL B 6 14.980 8.338 -5.562 1.00 0.00 C ATOM 1739 C VAL B 6 13.524 8.267 -5.088 1.00 0.00 C ATOM 1740 O VAL B 6 12.734 7.461 -5.547 1.00 0.00 O ATOM 1741 CB VAL B 6 15.058 9.312 -6.746 1.00 0.00 C ATOM 1742 CG1 VAL B 6 15.043 10.755 -6.236 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.344 9.060 -7.525 1.00 0.00 C ATOM 0 H VAL B 6 15.509 6.855 -7.009 1.00 0.00 H new ATOM 0 HA VAL B 6 15.590 8.673 -4.723 1.00 0.00 H new ATOM 0 HB VAL B 6 14.198 9.155 -7.398 1.00 0.00 H new ATOM 0 HG11 VAL B 6 15.099 11.440 -7.082 1.00 0.00 H new ATOM 0 HG12 VAL B 6 14.122 10.936 -5.682 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.898 10.918 -5.580 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.401 9.751 -8.366 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.202 9.214 -6.870 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.350 8.035 -7.896 1.00 0.00 H new ATOM 1753 N CYS B 7 13.164 9.151 -4.188 1.00 0.00 N ATOM 1754 CA CYS B 7 11.759 9.211 -3.683 1.00 0.00 C ATOM 1755 C CYS B 7 11.041 10.369 -4.372 1.00 0.00 C ATOM 1756 O CYS B 7 11.133 11.504 -3.946 1.00 0.00 O ATOM 1757 CB CYS B 7 11.756 9.441 -2.165 1.00 0.00 C ATOM 1758 SG CYS B 7 13.073 8.474 -1.390 1.00 0.00 S ATOM 0 H CYS B 7 13.793 9.841 -3.778 1.00 0.00 H new ATOM 0 HA CYS B 7 11.252 8.271 -3.899 1.00 0.00 H new ATOM 0 HB2 CYS B 7 11.896 10.500 -1.949 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.790 9.156 -1.748 1.00 0.00 H new ATOM 1763 N GLU B 8 10.331 10.111 -5.439 1.00 0.00 N ATOM 1764 CA GLU B 8 9.628 11.227 -6.138 1.00 0.00 C ATOM 1765 C GLU B 8 8.290 11.517 -5.451 1.00 0.00 C ATOM 1766 O GLU B 8 7.263 11.683 -6.090 1.00 0.00 O ATOM 1767 CB GLU B 8 9.393 10.871 -7.610 1.00 0.00 C ATOM 1768 CG GLU B 8 8.967 9.406 -7.737 1.00 0.00 C ATOM 1769 CD GLU B 8 8.291 9.189 -9.096 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.977 9.295 -10.100 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.101 8.921 -9.108 1.00 0.00 O ATOM 0 H GLU B 8 10.208 9.187 -5.853 1.00 0.00 H new ATOM 0 HA GLU B 8 10.254 12.118 -6.089 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.624 11.519 -8.030 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.304 11.044 -8.184 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.835 8.754 -7.642 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.281 9.144 -6.931 1.00 0.00 H new ATOM 1778 N GLY B 9 8.300 11.618 -4.153 1.00 0.00 N ATOM 1779 CA GLY B 9 7.043 11.944 -3.432 1.00 0.00 C ATOM 1780 C GLY B 9 6.743 13.431 -3.705 1.00 0.00 C ATOM 1781 O GLY B 9 6.746 13.825 -4.854 1.00 0.00 O ATOM 0 H GLY B 9 9.122 11.489 -3.563 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.224 11.315 -3.780 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.153 11.762 -2.363 1.00 0.00 H new ATOM 1785 N PRO B 10 6.525 14.246 -2.686 1.00 0.00 N ATOM 1786 CA PRO B 10 6.278 15.680 -2.922 1.00 0.00 C ATOM 1787 C PRO B 10 7.576 16.332 -3.425 1.00 0.00 C ATOM 1788 O PRO B 10 7.760 17.531 -3.334 1.00 0.00 O ATOM 1789 CB PRO B 10 5.857 16.247 -1.546 1.00 0.00 C ATOM 1790 CG PRO B 10 6.051 15.112 -0.500 1.00 0.00 C ATOM 1791 CD PRO B 10 6.489 13.842 -1.264 1.00 0.00 C ATOM 0 HA PRO B 10 5.510 15.869 -3.672 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.462 17.116 -1.287 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.818 16.577 -1.567 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.803 15.394 0.236 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.124 14.931 0.045 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.466 13.496 -0.927 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.788 13.023 -1.104 1.00 0.00 H new ATOM 1799 N SER B 11 8.474 15.542 -3.949 1.00 0.00 N ATOM 1800 CA SER B 11 9.763 16.087 -4.457 1.00 0.00 C ATOM 1801 C SER B 11 9.569 16.596 -5.886 1.00 0.00 C ATOM 1802 O SER B 11 10.040 17.656 -6.248 1.00 0.00 O ATOM 1803 CB SER B 11 10.817 14.975 -4.450 1.00 0.00 C ATOM 1804 OG SER B 11 11.900 15.350 -5.291 1.00 0.00 O ATOM 0 H SER B 11 8.367 14.532 -4.047 1.00 0.00 H new ATOM 0 HA SER B 11 10.093 16.908 -3.820 1.00 0.00 H new ATOM 0 HB2 SER B 11 11.173 14.802 -3.434 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.378 14.040 -4.798 1.00 0.00 H new ATOM 0 HG SER B 11 12.577 14.642 -5.288 1.00 0.00 H new ATOM 1810 N HIS B 12 8.876 15.849 -6.703 1.00 0.00 N ATOM 1811 CA HIS B 12 8.651 16.290 -8.108 1.00 0.00 C ATOM 1812 C HIS B 12 7.939 17.644 -8.107 1.00 0.00 C ATOM 1813 O HIS B 12 7.479 18.113 -7.085 1.00 0.00 O ATOM 1814 CB HIS B 12 7.785 15.257 -8.834 1.00 0.00 C ATOM 1815 CG HIS B 12 7.669 15.628 -10.287 1.00 0.00 C ATOM 1816 ND1 HIS B 12 6.459 15.594 -10.964 1.00 0.00 N ATOM 1817 CD2 HIS B 12 8.601 16.040 -11.206 1.00 0.00 C ATOM 1818 CE1 HIS B 12 6.695 15.976 -12.233 1.00 0.00 C ATOM 1819 NE2 HIS B 12 7.984 16.259 -12.434 1.00 0.00 N ATOM 0 H HIS B 12 8.456 14.952 -6.457 1.00 0.00 H new ATOM 0 HA HIS B 12 9.609 16.383 -8.619 1.00 0.00 H new ATOM 0 HB2 HIS B 12 8.225 14.265 -8.736 1.00 0.00 H new ATOM 0 HB3 HIS B 12 6.795 15.213 -8.379 1.00 0.00 H new ATOM 0 HD2 HIS B 12 9.654 16.174 -11.007 1.00 0.00 H new ATOM 0 HE1 HIS B 12 5.934 16.045 -12.996 1.00 0.00 H new ATOM 0 HE2 HIS B 12 8.422 16.569 -13.301 1.00 0.00 H new ATOM 1827 N GLY B 13 7.843 18.277 -9.244 1.00 0.00 N ATOM 1828 CA GLY B 13 7.161 19.601 -9.304 1.00 0.00 C ATOM 1829 C GLY B 13 6.883 19.969 -10.762 1.00 0.00 C ATOM 1830 O GLY B 13 5.998 20.776 -10.990 1.00 0.00 O ATOM 1831 OXT GLY B 13 7.562 19.438 -11.626 1.00 0.00 O ATOM 0 H GLY B 13 8.207 17.935 -10.133 1.00 0.00 H new ATOM 0 HA2 GLY B 13 6.227 19.566 -8.743 1.00 0.00 H new ATOM 0 HA3 GLY B 13 7.785 20.364 -8.838 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -7.152 -10.615 -1.581 1.00 0.24 O HETATM 1839 O HOH A 107 8.837 -3.337 5.102 1.00 0.40 O HETATM 1842 O HOH A 108 12.783 1.611 2.189 1.00 0.32 O HETATM 1845 O HOH A 109 -8.942 -8.637 -0.069 1.00 0.26 O HETATM 1848 O HOH A 110 -7.615 -13.156 0.585 1.00 0.21 O HETATM 1851 O HOH A 111 -12.077 -2.691 0.343 1.00 0.37 O