USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 541 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 THR OG1 : rot 180:sc= 0.249 USER MOD Set 1.2: A 60 ASN :FLIP amide:sc= -10.7! C(o=-13!,f=-10!) USER MOD Set 2.1: A 36 GLN : amide:sc= -2.12 K(o=-2.5,f=-12!) USER MOD Set 2.2: A 73 GLN : amide:sc= -0.37 K(o=-2.5,f=-4.7!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0487 USER MOD Single : A 23 THR OG1 : rot -109:sc= -0.871 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.045) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0274) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.394 K(o=-0.39,f=-5.5!) USER MOD Single : A 55 HIS : no HD1:sc= -4.38! C(o=-4.4!,f=-5!) USER MOD Single : A 59 GLN : amide:sc= -4.19! C(o=-4.2!,f=-5.5!) USER MOD Single : A 61 CYS SG : rot 30:sc= -2.94! USER MOD Single : A 65 GLN : amide:sc= -4.76! C(o=-4.8!,f=-4.3!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -122:sc= -1.61 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 27 N MET A 3 7.096 -10.985 24.553 1.00 0.00 N ATOM 28 CA MET A 3 5.978 -11.360 25.456 1.00 0.00 C ATOM 29 C MET A 3 4.643 -10.964 24.823 1.00 0.00 C ATOM 30 O MET A 3 4.587 -10.350 23.768 1.00 0.00 O ATOM 31 CB MET A 3 6.129 -10.670 26.813 1.00 0.00 C ATOM 32 CG MET A 3 7.588 -10.262 27.040 1.00 0.00 C ATOM 33 SD MET A 3 8.569 -11.720 27.471 1.00 0.00 S ATOM 34 CE MET A 3 10.091 -11.222 26.629 1.00 0.00 C ATOM 0 HA MET A 3 6.002 -12.439 25.607 1.00 0.00 H new ATOM 0 HB2 MET A 3 5.487 -9.790 26.855 1.00 0.00 H new ATOM 0 HB3 MET A 3 5.803 -11.341 27.608 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.989 -9.795 26.141 1.00 0.00 H new ATOM 0 HG3 MET A 3 7.649 -9.522 27.838 1.00 0.00 H new ATOM 0 HE1 MET A 3 10.851 -11.991 26.766 1.00 0.00 H new ATOM 0 HE2 MET A 3 9.893 -11.093 25.565 1.00 0.00 H new ATOM 0 HE3 MET A 3 10.448 -10.281 27.048 1.00 0.00 H new ATOM 44 N ILE A 4 3.568 -11.340 25.453 1.00 0.00 N ATOM 45 CA ILE A 4 2.221 -11.022 24.914 1.00 0.00 C ATOM 46 C ILE A 4 1.932 -9.525 25.021 1.00 0.00 C ATOM 47 O ILE A 4 2.231 -8.883 26.008 1.00 0.00 O ATOM 48 CB ILE A 4 1.174 -11.760 25.739 1.00 0.00 C ATOM 49 CG1 ILE A 4 0.432 -12.767 24.856 1.00 0.00 C ATOM 50 CG2 ILE A 4 0.182 -10.735 26.283 1.00 0.00 C ATOM 51 CD1 ILE A 4 1.373 -13.908 24.472 1.00 0.00 C ATOM 0 H ILE A 4 3.566 -11.861 26.330 1.00 0.00 H new ATOM 0 HA ILE A 4 2.188 -11.324 23.867 1.00 0.00 H new ATOM 0 HB ILE A 4 1.655 -12.295 26.558 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.435 -13.161 25.387 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.059 -12.273 23.959 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.577 -11.243 26.877 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.709 -10.014 26.908 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.296 -10.215 25.453 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.841 -14.622 23.844 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.226 -13.507 23.924 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.724 -14.409 25.374 1.00 0.00 H new ATOM 63 N VAL A 5 1.299 -8.984 24.022 1.00 0.00 N ATOM 64 CA VAL A 5 0.914 -7.555 24.046 1.00 0.00 C ATOM 65 C VAL A 5 -0.597 -7.528 24.178 1.00 0.00 C ATOM 66 O VAL A 5 -1.252 -8.530 23.978 1.00 0.00 O ATOM 67 CB VAL A 5 1.310 -6.874 22.742 1.00 0.00 C ATOM 68 CG1 VAL A 5 1.581 -5.390 23.000 1.00 0.00 C ATOM 69 CG2 VAL A 5 2.572 -7.530 22.181 1.00 0.00 C ATOM 0 H VAL A 5 1.028 -9.484 23.175 1.00 0.00 H new ATOM 0 HA VAL A 5 1.410 -7.033 24.864 1.00 0.00 H new ATOM 0 HB VAL A 5 0.498 -6.976 22.023 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.864 -4.904 22.066 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.681 -4.919 23.396 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.391 -5.288 23.722 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.853 -7.041 21.248 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.384 -7.431 22.901 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.380 -8.586 21.993 1.00 0.00 H new ATOM 79 N PHE A 6 -1.177 -6.421 24.506 1.00 0.00 N ATOM 80 CA PHE A 6 -2.648 -6.411 24.628 1.00 0.00 C ATOM 81 C PHE A 6 -3.251 -5.737 23.406 1.00 0.00 C ATOM 82 O PHE A 6 -3.200 -4.539 23.264 1.00 0.00 O ATOM 83 CB PHE A 6 -3.059 -5.653 25.879 1.00 0.00 C ATOM 84 CG PHE A 6 -4.400 -6.167 26.337 1.00 0.00 C ATOM 85 CD1 PHE A 6 -4.568 -7.530 26.619 1.00 0.00 C ATOM 86 CD2 PHE A 6 -5.473 -5.282 26.478 1.00 0.00 C ATOM 87 CE1 PHE A 6 -5.814 -8.004 27.045 1.00 0.00 C ATOM 88 CE2 PHE A 6 -6.719 -5.757 26.905 1.00 0.00 C ATOM 89 CZ PHE A 6 -6.888 -7.116 27.189 1.00 0.00 C ATOM 0 H PHE A 6 -0.707 -5.535 24.693 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.009 -7.437 24.697 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.315 -5.787 26.664 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.115 -4.584 25.672 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.738 -8.212 26.508 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -5.341 -4.233 26.258 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.947 -9.053 27.263 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.549 -5.075 27.015 1.00 0.00 H new ATOM 0 HZ PHE A 6 -7.849 -7.482 27.520 1.00 0.00 H new ATOM 99 N VAL A 7 -3.838 -6.493 22.530 1.00 0.00 N ATOM 100 CA VAL A 7 -4.459 -5.883 21.330 1.00 0.00 C ATOM 101 C VAL A 7 -5.906 -5.579 21.655 1.00 0.00 C ATOM 102 O VAL A 7 -6.690 -6.475 21.875 1.00 0.00 O ATOM 103 CB VAL A 7 -4.406 -6.877 20.164 1.00 0.00 C ATOM 104 CG1 VAL A 7 -5.419 -6.481 19.070 1.00 0.00 C ATOM 105 CG2 VAL A 7 -2.991 -6.878 19.579 1.00 0.00 C ATOM 0 H VAL A 7 -3.915 -7.508 22.593 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.927 -4.973 21.051 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.662 -7.872 20.528 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.368 -7.197 18.250 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.425 -6.480 19.489 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.181 -5.485 18.697 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.941 -7.582 18.748 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.744 -5.878 19.223 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.279 -7.175 20.349 1.00 0.00 H new ATOM 115 N ARG A 8 -6.302 -4.343 21.669 1.00 0.00 N ATOM 116 CA ARG A 8 -7.728 -4.096 21.959 1.00 0.00 C ATOM 117 C ARG A 8 -8.489 -4.297 20.654 1.00 0.00 C ATOM 118 O ARG A 8 -8.640 -3.390 19.861 1.00 0.00 O ATOM 119 CB ARG A 8 -7.920 -2.671 22.496 1.00 0.00 C ATOM 120 CG ARG A 8 -6.775 -2.324 23.460 1.00 0.00 C ATOM 121 CD ARG A 8 -7.020 -2.967 24.827 1.00 0.00 C ATOM 122 NE ARG A 8 -8.239 -2.378 25.451 1.00 0.00 N ATOM 123 CZ ARG A 8 -8.489 -2.586 26.715 1.00 0.00 C ATOM 124 NH1 ARG A 8 -7.994 -1.785 27.619 1.00 0.00 N ATOM 125 NH2 ARG A 8 -9.236 -3.592 27.078 1.00 0.00 N ATOM 0 H ARG A 8 -5.722 -3.521 21.499 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.099 -4.780 22.723 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.941 -1.960 21.670 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.878 -2.591 23.010 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.827 -2.673 23.051 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.696 -1.242 23.568 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.142 -4.044 24.716 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.157 -2.809 25.473 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.877 -1.813 24.891 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.412 -0.996 27.338 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.190 -1.948 28.607 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.626 -4.218 26.373 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.430 -3.753 28.066 1.00 0.00 H new ATOM 139 N PHE A 9 -8.966 -5.498 20.433 1.00 0.00 N ATOM 140 CA PHE A 9 -9.705 -5.811 19.177 1.00 0.00 C ATOM 141 C PHE A 9 -11.025 -5.039 19.194 1.00 0.00 C ATOM 142 O PHE A 9 -11.752 -5.063 20.166 1.00 0.00 O ATOM 143 CB PHE A 9 -10.009 -7.314 19.145 1.00 0.00 C ATOM 144 CG PHE A 9 -9.139 -8.092 18.169 1.00 0.00 C ATOM 145 CD1 PHE A 9 -8.705 -7.568 16.925 1.00 0.00 C ATOM 146 CD2 PHE A 9 -8.794 -9.403 18.522 1.00 0.00 C ATOM 147 CE1 PHE A 9 -7.936 -8.373 16.076 1.00 0.00 C ATOM 148 CE2 PHE A 9 -8.021 -10.187 17.667 1.00 0.00 C ATOM 149 CZ PHE A 9 -7.593 -9.675 16.446 1.00 0.00 C ATOM 0 H PHE A 9 -8.872 -6.282 21.079 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.113 -5.533 18.305 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.874 -7.725 20.146 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -11.056 -7.459 18.880 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.964 -6.560 16.636 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.130 -9.810 19.464 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.605 -7.983 15.125 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.754 -11.194 17.953 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.995 -10.285 15.784 1.00 0.00 H new ATOM 223 N PHE A 15 -7.327 -9.152 22.739 1.00 0.00 N ATOM 224 CA PHE A 15 -6.707 -10.486 22.530 1.00 0.00 C ATOM 225 C PHE A 15 -5.187 -10.359 22.694 1.00 0.00 C ATOM 226 O PHE A 15 -4.599 -9.400 22.238 1.00 0.00 O ATOM 227 CB PHE A 15 -7.050 -10.977 21.122 1.00 0.00 C ATOM 228 CG PHE A 15 -5.881 -10.758 20.192 1.00 0.00 C ATOM 229 CD1 PHE A 15 -4.823 -11.674 20.186 1.00 0.00 C ATOM 230 CD2 PHE A 15 -5.858 -9.652 19.324 1.00 0.00 C ATOM 231 CE1 PHE A 15 -3.744 -11.493 19.315 1.00 0.00 C ATOM 232 CE2 PHE A 15 -4.776 -9.474 18.457 1.00 0.00 C ATOM 233 CZ PHE A 15 -3.720 -10.393 18.452 1.00 0.00 C ATOM 0 HA PHE A 15 -7.086 -11.202 23.260 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.307 -12.036 21.151 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.926 -10.447 20.748 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.840 -12.522 20.855 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.673 -8.943 19.327 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.930 -12.202 19.309 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.755 -8.625 17.789 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.886 -10.252 17.781 1.00 0.00 H new ATOM 243 N PRO A 16 -4.597 -11.328 23.351 1.00 0.00 N ATOM 244 CA PRO A 16 -3.145 -11.343 23.598 1.00 0.00 C ATOM 245 C PRO A 16 -2.395 -11.734 22.323 1.00 0.00 C ATOM 246 O PRO A 16 -2.651 -12.761 21.726 1.00 0.00 O ATOM 247 CB PRO A 16 -2.974 -12.404 24.688 1.00 0.00 C ATOM 248 CG PRO A 16 -4.221 -13.316 24.606 1.00 0.00 C ATOM 249 CD PRO A 16 -5.318 -12.496 23.897 1.00 0.00 C ATOM 0 HA PRO A 16 -2.748 -10.373 23.897 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.061 -12.979 24.531 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.895 -11.941 25.672 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.999 -14.228 24.051 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.546 -13.619 25.601 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.799 -13.073 23.107 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.101 -12.192 24.592 1.00 0.00 H new ATOM 257 N VAL A 17 -1.479 -10.913 21.899 1.00 0.00 N ATOM 258 CA VAL A 17 -0.713 -11.212 20.658 1.00 0.00 C ATOM 259 C VAL A 17 0.738 -11.537 21.013 1.00 0.00 C ATOM 260 O VAL A 17 1.252 -11.093 22.014 1.00 0.00 O ATOM 261 CB VAL A 17 -0.736 -9.976 19.762 1.00 0.00 C ATOM 262 CG1 VAL A 17 -0.159 -8.793 20.539 1.00 0.00 C ATOM 263 CG2 VAL A 17 0.108 -10.230 18.512 1.00 0.00 C ATOM 0 H VAL A 17 -1.225 -10.040 22.362 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.161 -12.064 20.147 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.760 -9.757 19.461 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.170 -7.904 19.909 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.761 -8.614 21.430 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.867 -9.016 20.833 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.089 -9.346 17.875 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.136 -10.445 18.804 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.299 -11.080 17.965 1.00 0.00 H new ATOM 273 N GLU A 18 1.413 -12.291 20.197 1.00 0.00 N ATOM 274 CA GLU A 18 2.835 -12.602 20.503 1.00 0.00 C ATOM 275 C GLU A 18 3.721 -11.705 19.637 1.00 0.00 C ATOM 276 O GLU A 18 3.722 -11.809 18.426 1.00 0.00 O ATOM 277 CB GLU A 18 3.128 -14.071 20.186 1.00 0.00 C ATOM 278 CG GLU A 18 4.617 -14.348 20.397 1.00 0.00 C ATOM 279 CD GLU A 18 5.173 -15.108 19.191 1.00 0.00 C ATOM 280 OE1 GLU A 18 4.397 -15.774 18.525 1.00 0.00 O ATOM 281 OE2 GLU A 18 6.365 -15.011 18.954 1.00 0.00 O ATOM 0 H GLU A 18 1.047 -12.703 19.339 1.00 0.00 H new ATOM 0 HA GLU A 18 3.035 -12.425 21.560 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.532 -14.719 20.828 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.847 -14.296 19.157 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.157 -13.410 20.529 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.764 -14.931 21.306 1.00 0.00 H new ATOM 288 N VAL A 19 4.468 -10.816 20.237 1.00 0.00 N ATOM 289 CA VAL A 19 5.334 -9.921 19.418 1.00 0.00 C ATOM 290 C VAL A 19 6.603 -9.569 20.188 1.00 0.00 C ATOM 291 O VAL A 19 6.702 -9.773 21.382 1.00 0.00 O ATOM 292 CB VAL A 19 4.583 -8.637 19.081 1.00 0.00 C ATOM 293 CG1 VAL A 19 3.117 -8.773 19.496 1.00 0.00 C ATOM 294 CG2 VAL A 19 5.226 -7.460 19.820 1.00 0.00 C ATOM 0 H VAL A 19 4.516 -10.672 21.246 1.00 0.00 H new ATOM 0 HA VAL A 19 5.601 -10.442 18.498 1.00 0.00 H new ATOM 0 HB VAL A 19 4.634 -8.458 18.007 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.584 -7.854 19.254 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.663 -9.608 18.961 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.058 -8.955 20.569 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.689 -6.542 19.579 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.180 -7.636 20.895 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.267 -7.363 19.513 1.00 0.00 H new ATOM 304 N ASP A 20 7.571 -9.035 19.502 1.00 0.00 N ATOM 305 CA ASP A 20 8.844 -8.651 20.164 1.00 0.00 C ATOM 306 C ASP A 20 9.151 -7.193 19.824 1.00 0.00 C ATOM 307 O ASP A 20 8.399 -6.541 19.131 1.00 0.00 O ATOM 308 CB ASP A 20 9.978 -9.550 19.663 1.00 0.00 C ATOM 309 CG ASP A 20 9.791 -9.832 18.169 1.00 0.00 C ATOM 310 OD1 ASP A 20 9.593 -8.884 17.427 1.00 0.00 O ATOM 311 OD2 ASP A 20 9.855 -10.991 17.793 1.00 0.00 O ATOM 0 H ASP A 20 7.534 -8.846 18.500 1.00 0.00 H new ATOM 0 HA ASP A 20 8.753 -8.769 21.244 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.940 -9.068 19.834 1.00 0.00 H new ATOM 0 HB3 ASP A 20 9.987 -10.486 20.221 1.00 0.00 H new ATOM 316 N SER A 21 10.242 -6.673 20.308 1.00 0.00 N ATOM 317 CA SER A 21 10.588 -5.253 20.009 1.00 0.00 C ATOM 318 C SER A 21 10.775 -5.053 18.495 1.00 0.00 C ATOM 319 O SER A 21 10.925 -3.944 18.027 1.00 0.00 O ATOM 320 CB SER A 21 11.889 -4.896 20.725 1.00 0.00 C ATOM 321 OG SER A 21 11.959 -5.600 21.959 1.00 0.00 O ATOM 0 H SER A 21 10.911 -7.168 20.898 1.00 0.00 H new ATOM 0 HA SER A 21 9.778 -4.610 20.353 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.744 -5.152 20.099 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.935 -3.822 20.904 1.00 0.00 H new ATOM 0 HG SER A 21 12.794 -5.373 22.418 1.00 0.00 H new ATOM 327 N ASP A 22 10.786 -6.113 17.728 1.00 0.00 N ATOM 328 CA ASP A 22 10.984 -5.964 16.251 1.00 0.00 C ATOM 329 C ASP A 22 9.766 -6.497 15.484 1.00 0.00 C ATOM 330 O ASP A 22 9.840 -6.771 14.303 1.00 0.00 O ATOM 331 CB ASP A 22 12.227 -6.751 15.830 1.00 0.00 C ATOM 332 CG ASP A 22 12.750 -6.210 14.498 1.00 0.00 C ATOM 333 OD1 ASP A 22 13.398 -5.177 14.514 1.00 0.00 O ATOM 334 OD2 ASP A 22 12.496 -6.841 13.485 1.00 0.00 O ATOM 0 H ASP A 22 10.667 -7.071 18.056 1.00 0.00 H new ATOM 0 HA ASP A 22 11.109 -4.906 16.018 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.998 -6.669 16.596 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.985 -7.809 15.734 1.00 0.00 H new ATOM 339 N THR A 23 8.648 -6.637 16.138 1.00 0.00 N ATOM 340 CA THR A 23 7.430 -7.142 15.446 1.00 0.00 C ATOM 341 C THR A 23 6.887 -6.062 14.503 1.00 0.00 C ATOM 342 O THR A 23 5.954 -6.285 13.758 1.00 0.00 O ATOM 343 CB THR A 23 6.386 -7.484 16.503 1.00 0.00 C ATOM 344 OG1 THR A 23 6.285 -8.895 16.635 1.00 0.00 O ATOM 345 CG2 THR A 23 5.052 -6.911 16.074 1.00 0.00 C ATOM 0 H THR A 23 8.525 -6.422 17.127 1.00 0.00 H new ATOM 0 HA THR A 23 7.669 -8.028 14.859 1.00 0.00 H new ATOM 0 HB THR A 23 6.677 -7.060 17.464 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.431 -9.198 16.263 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.296 -7.149 16.822 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.136 -5.829 15.975 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.762 -7.342 15.116 1.00 0.00 H new ATOM 353 N SER A 24 7.464 -4.895 14.536 1.00 0.00 N ATOM 354 CA SER A 24 6.996 -3.791 13.659 1.00 0.00 C ATOM 355 C SER A 24 5.581 -3.393 14.083 1.00 0.00 C ATOM 356 O SER A 24 5.254 -3.419 15.252 1.00 0.00 O ATOM 357 CB SER A 24 7.010 -4.256 12.208 1.00 0.00 C ATOM 358 OG SER A 24 8.335 -4.623 11.851 1.00 0.00 O ATOM 0 H SER A 24 8.250 -4.657 15.141 1.00 0.00 H new ATOM 0 HA SER A 24 7.654 -2.927 13.752 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.337 -5.104 12.078 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.651 -3.461 11.555 1.00 0.00 H new ATOM 0 HG SER A 24 8.351 -4.925 10.919 1.00 0.00 H new ATOM 364 N ILE A 25 4.735 -3.026 13.163 1.00 0.00 N ATOM 365 CA ILE A 25 3.353 -2.633 13.560 1.00 0.00 C ATOM 366 C ILE A 25 2.345 -3.065 12.497 1.00 0.00 C ATOM 367 O ILE A 25 1.221 -3.372 12.826 1.00 0.00 O ATOM 368 CB ILE A 25 3.267 -1.121 13.760 1.00 0.00 C ATOM 369 CG1 ILE A 25 4.338 -0.669 14.747 1.00 0.00 C ATOM 370 CG2 ILE A 25 1.881 -0.756 14.309 1.00 0.00 C ATOM 371 CD1 ILE A 25 3.895 -1.007 16.165 1.00 0.00 C ATOM 0 H ILE A 25 4.936 -2.981 12.164 1.00 0.00 H new ATOM 0 HA ILE A 25 3.115 -3.133 14.499 1.00 0.00 H new ATOM 0 HB ILE A 25 3.425 -0.622 12.804 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.285 -1.160 14.523 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.506 0.404 14.653 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.819 0.323 14.452 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.114 -1.073 13.602 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.724 -1.258 15.264 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.660 -0.684 16.872 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.958 -0.495 16.385 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.750 -2.084 16.254 1.00 0.00 H new ATOM 383 N LEU A 26 2.725 -3.165 11.243 1.00 0.00 N ATOM 384 CA LEU A 26 1.753 -3.657 10.245 1.00 0.00 C ATOM 385 C LEU A 26 1.804 -5.151 10.421 1.00 0.00 C ATOM 386 O LEU A 26 0.822 -5.848 10.336 1.00 0.00 O ATOM 387 CB LEU A 26 2.151 -3.253 8.830 1.00 0.00 C ATOM 388 CG LEU A 26 1.383 -4.107 7.823 1.00 0.00 C ATOM 389 CD1 LEU A 26 2.064 -5.467 7.726 1.00 0.00 C ATOM 390 CD2 LEU A 26 -0.081 -4.278 8.274 1.00 0.00 C ATOM 0 H LEU A 26 3.650 -2.929 10.884 1.00 0.00 H new ATOM 0 HA LEU A 26 0.755 -3.244 10.387 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.935 -2.197 8.667 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.224 -3.384 8.691 1.00 0.00 H new ATOM 0 HG LEU A 26 1.383 -3.619 6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.529 -6.092 7.011 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.094 -5.335 7.394 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.057 -5.948 8.704 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.617 -4.889 7.547 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.107 -4.767 9.248 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.556 -3.300 8.346 1.00 0.00 H new ATOM 402 N GLN A 27 2.976 -5.619 10.744 1.00 0.00 N ATOM 403 CA GLN A 27 3.171 -7.048 11.031 1.00 0.00 C ATOM 404 C GLN A 27 2.292 -7.329 12.237 1.00 0.00 C ATOM 405 O GLN A 27 1.688 -8.374 12.377 1.00 0.00 O ATOM 406 CB GLN A 27 4.642 -7.237 11.381 1.00 0.00 C ATOM 407 CG GLN A 27 5.324 -8.080 10.303 1.00 0.00 C ATOM 408 CD GLN A 27 6.063 -9.246 10.961 1.00 0.00 C ATOM 409 OE1 GLN A 27 7.230 -9.465 10.701 1.00 0.00 O ATOM 410 NE2 GLN A 27 5.430 -10.006 11.812 1.00 0.00 N ATOM 0 H GLN A 27 3.820 -5.051 10.820 1.00 0.00 H new ATOM 0 HA GLN A 27 2.917 -7.710 10.203 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.134 -6.268 11.463 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.735 -7.725 12.351 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.583 -8.456 9.598 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.023 -7.467 9.734 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.451 -9.822 12.030 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.914 -10.784 12.259 1.00 0.00 H new ATOM 419 N LEU A 28 2.189 -6.339 13.083 1.00 0.00 N ATOM 420 CA LEU A 28 1.319 -6.435 14.278 1.00 0.00 C ATOM 421 C LEU A 28 -0.130 -6.358 13.776 1.00 0.00 C ATOM 422 O LEU A 28 -1.022 -6.982 14.310 1.00 0.00 O ATOM 423 CB LEU A 28 1.656 -5.248 15.199 1.00 0.00 C ATOM 424 CG LEU A 28 0.778 -5.256 16.447 1.00 0.00 C ATOM 425 CD1 LEU A 28 -0.636 -4.876 16.059 1.00 0.00 C ATOM 426 CD2 LEU A 28 0.793 -6.650 17.077 1.00 0.00 C ATOM 0 H LEU A 28 2.684 -5.452 12.989 1.00 0.00 H new ATOM 0 HA LEU A 28 1.463 -7.360 14.837 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.706 -5.295 15.489 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.516 -4.312 14.658 1.00 0.00 H new ATOM 0 HG LEU A 28 1.160 -4.538 17.173 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.270 -4.879 16.946 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.637 -3.880 15.616 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.020 -5.595 15.335 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.165 -6.653 17.968 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.410 -7.377 16.361 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.814 -6.914 17.352 1.00 0.00 H new ATOM 438 N LYS A 29 -0.347 -5.619 12.715 1.00 0.00 N ATOM 439 CA LYS A 29 -1.713 -5.515 12.123 1.00 0.00 C ATOM 440 C LYS A 29 -2.037 -6.849 11.458 1.00 0.00 C ATOM 441 O LYS A 29 -3.181 -7.191 11.252 1.00 0.00 O ATOM 442 CB LYS A 29 -1.736 -4.423 11.034 1.00 0.00 C ATOM 443 CG LYS A 29 -2.160 -3.058 11.601 1.00 0.00 C ATOM 444 CD LYS A 29 -1.045 -2.035 11.365 1.00 0.00 C ATOM 445 CE LYS A 29 -1.257 -0.797 12.235 1.00 0.00 C ATOM 446 NZ LYS A 29 -0.465 0.339 11.680 1.00 0.00 N ATOM 0 H LYS A 29 0.371 -5.080 12.232 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.433 -5.268 12.903 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.747 -4.338 10.584 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.423 -4.716 10.240 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.081 -2.724 11.123 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.368 -3.145 12.667 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.078 -2.484 11.592 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.024 -1.748 10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.315 -0.537 12.265 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.950 -1.002 13.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.608 1.183 12.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.544 0.088 11.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.779 0.539 10.709 1.00 0.00 H new ATOM 460 N GLU A 30 -1.022 -7.593 11.096 1.00 0.00 N ATOM 461 CA GLU A 30 -1.247 -8.893 10.413 1.00 0.00 C ATOM 462 C GLU A 30 -1.692 -9.944 11.421 1.00 0.00 C ATOM 463 O GLU A 30 -2.697 -10.585 11.231 1.00 0.00 O ATOM 464 CB GLU A 30 0.055 -9.347 9.750 1.00 0.00 C ATOM 465 CG GLU A 30 0.403 -8.396 8.604 1.00 0.00 C ATOM 466 CD GLU A 30 0.448 -9.176 7.289 1.00 0.00 C ATOM 467 OE1 GLU A 30 0.545 -10.391 7.347 1.00 0.00 O ATOM 468 OE2 GLU A 30 0.390 -8.544 6.246 1.00 0.00 O ATOM 0 H GLU A 30 -0.043 -7.350 11.247 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.025 -8.770 9.659 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.862 -9.362 10.482 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.052 -10.364 9.373 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.338 -7.599 8.541 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.366 -7.922 8.791 1.00 0.00 H new ATOM 475 N VAL A 31 -0.956 -10.110 12.492 1.00 0.00 N ATOM 476 CA VAL A 31 -1.335 -11.120 13.528 1.00 0.00 C ATOM 477 C VAL A 31 -2.690 -10.736 14.100 1.00 0.00 C ATOM 478 O VAL A 31 -3.582 -11.552 14.220 1.00 0.00 O ATOM 479 CB VAL A 31 -0.285 -11.107 14.642 1.00 0.00 C ATOM 480 CG1 VAL A 31 -0.687 -12.089 15.746 1.00 0.00 C ATOM 481 CG2 VAL A 31 1.070 -11.520 14.064 1.00 0.00 C ATOM 0 H VAL A 31 -0.104 -9.586 12.694 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.386 -12.117 13.090 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.217 -10.103 15.062 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.064 -12.076 16.536 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.653 -11.797 16.158 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.758 -13.094 15.331 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.820 -11.512 14.854 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.996 -12.523 13.644 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.360 -10.820 13.281 1.00 0.00 H new ATOM 491 N VAL A 32 -2.862 -9.490 14.416 1.00 0.00 N ATOM 492 CA VAL A 32 -4.174 -9.042 14.935 1.00 0.00 C ATOM 493 C VAL A 32 -5.175 -9.208 13.803 1.00 0.00 C ATOM 494 O VAL A 32 -6.335 -9.500 14.005 1.00 0.00 O ATOM 495 CB VAL A 32 -4.085 -7.571 15.339 1.00 0.00 C ATOM 496 CG1 VAL A 32 -5.460 -7.078 15.796 1.00 0.00 C ATOM 497 CG2 VAL A 32 -3.071 -7.424 16.475 1.00 0.00 C ATOM 0 H VAL A 32 -2.151 -8.763 14.337 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.475 -9.621 15.808 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.763 -6.973 14.486 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.393 -6.029 16.083 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.175 -7.186 14.980 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.793 -7.668 16.650 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.002 -6.376 16.768 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.393 -8.020 17.329 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.094 -7.771 16.138 1.00 0.00 H new ATOM 507 N ALA A 33 -4.715 -9.028 12.597 1.00 0.00 N ATOM 508 CA ALA A 33 -5.610 -9.179 11.425 1.00 0.00 C ATOM 509 C ALA A 33 -6.030 -10.650 11.310 1.00 0.00 C ATOM 510 O ALA A 33 -7.079 -10.971 10.789 1.00 0.00 O ATOM 511 CB ALA A 33 -4.858 -8.760 10.154 1.00 0.00 C ATOM 0 H ALA A 33 -3.751 -8.781 12.375 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.492 -8.550 11.546 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.514 -8.870 9.290 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.546 -7.719 10.242 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.980 -9.393 10.026 1.00 0.00 H new ATOM 517 N LYS A 34 -5.206 -11.546 11.796 1.00 0.00 N ATOM 518 CA LYS A 34 -5.536 -13.001 11.724 1.00 0.00 C ATOM 519 C LYS A 34 -6.700 -13.299 12.657 1.00 0.00 C ATOM 520 O LYS A 34 -7.691 -13.892 12.278 1.00 0.00 O ATOM 521 CB LYS A 34 -4.334 -13.831 12.194 1.00 0.00 C ATOM 522 CG LYS A 34 -3.054 -13.283 11.599 1.00 0.00 C ATOM 523 CD LYS A 34 -3.201 -13.153 10.081 1.00 0.00 C ATOM 524 CE LYS A 34 -3.145 -14.544 9.445 1.00 0.00 C ATOM 525 NZ LYS A 34 -4.387 -14.779 8.657 1.00 0.00 N ATOM 0 H LYS A 34 -4.314 -11.329 12.242 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.790 -13.253 10.695 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.274 -13.813 13.282 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.464 -14.872 11.899 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.826 -12.311 12.036 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.220 -13.943 11.837 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.145 -12.667 9.836 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.406 -12.525 9.680 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.271 -14.626 8.799 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.042 -15.305 10.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.321 -15.695 8.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.208 -14.785 9.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.501 -14.021 7.954 1.00 0.00 H new ATOM 539 N ARG A 35 -6.565 -12.908 13.887 1.00 0.00 N ATOM 540 CA ARG A 35 -7.638 -13.180 14.883 1.00 0.00 C ATOM 541 C ARG A 35 -8.872 -12.312 14.607 1.00 0.00 C ATOM 542 O ARG A 35 -9.964 -12.632 15.028 1.00 0.00 O ATOM 543 CB ARG A 35 -7.107 -12.888 16.287 1.00 0.00 C ATOM 544 CG ARG A 35 -6.265 -14.074 16.764 1.00 0.00 C ATOM 545 CD ARG A 35 -4.779 -13.716 16.682 1.00 0.00 C ATOM 546 NE ARG A 35 -3.967 -14.838 17.233 1.00 0.00 N ATOM 547 CZ ARG A 35 -3.448 -15.728 16.431 1.00 0.00 C ATOM 548 NH1 ARG A 35 -4.071 -16.061 15.332 1.00 0.00 N ATOM 549 NH2 ARG A 35 -2.302 -16.278 16.719 1.00 0.00 N ATOM 0 H ARG A 35 -5.754 -12.408 14.251 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.931 -14.227 14.806 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.505 -11.979 16.279 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.936 -12.716 16.974 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.531 -14.333 17.789 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.473 -14.950 16.150 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.497 -13.523 15.647 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.583 -12.802 17.242 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.816 -14.911 18.239 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.964 -15.626 15.100 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.665 -16.756 14.706 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.809 -16.013 17.572 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.898 -16.973 16.091 1.00 0.00 H new ATOM 563 N GLN A 36 -8.717 -11.215 13.916 1.00 0.00 N ATOM 564 CA GLN A 36 -9.901 -10.345 13.643 1.00 0.00 C ATOM 565 C GLN A 36 -10.689 -10.883 12.444 1.00 0.00 C ATOM 566 O GLN A 36 -11.808 -10.482 12.198 1.00 0.00 O ATOM 567 CB GLN A 36 -9.435 -8.915 13.349 1.00 0.00 C ATOM 568 CG GLN A 36 -10.105 -7.948 14.329 1.00 0.00 C ATOM 569 CD GLN A 36 -11.210 -7.171 13.610 1.00 0.00 C ATOM 570 OE1 GLN A 36 -10.939 -6.216 12.910 1.00 0.00 O ATOM 571 NE2 GLN A 36 -12.454 -7.540 13.753 1.00 0.00 N ATOM 0 H GLN A 36 -7.832 -10.884 13.531 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.547 -10.345 14.521 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.351 -8.849 13.440 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.686 -8.643 12.324 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.523 -8.500 15.171 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.367 -7.257 14.736 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.684 -8.342 14.340 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.196 -7.027 13.277 1.00 0.00 H new ATOM 580 N GLY A 37 -10.115 -11.779 11.689 1.00 0.00 N ATOM 581 CA GLY A 37 -10.836 -12.326 10.503 1.00 0.00 C ATOM 582 C GLY A 37 -10.809 -11.272 9.399 1.00 0.00 C ATOM 583 O GLY A 37 -11.669 -11.219 8.542 1.00 0.00 O ATOM 0 H GLY A 37 -9.179 -12.156 11.841 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.362 -13.246 10.161 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.864 -12.575 10.765 1.00 0.00 H new ATOM 587 N VAL A 38 -9.823 -10.424 9.437 1.00 0.00 N ATOM 588 CA VAL A 38 -9.703 -9.344 8.424 1.00 0.00 C ATOM 589 C VAL A 38 -8.230 -9.117 8.118 1.00 0.00 C ATOM 590 O VAL A 38 -7.362 -9.517 8.866 1.00 0.00 O ATOM 591 CB VAL A 38 -10.314 -8.062 8.989 1.00 0.00 C ATOM 592 CG1 VAL A 38 -11.275 -8.420 10.124 1.00 0.00 C ATOM 593 CG2 VAL A 38 -9.201 -7.160 9.527 1.00 0.00 C ATOM 0 H VAL A 38 -9.083 -10.434 10.139 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.227 -9.624 7.510 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.856 -7.537 8.203 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.714 -7.509 10.530 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.067 -9.064 9.741 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.731 -8.943 10.910 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.637 -6.246 9.930 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.659 -7.682 10.316 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.514 -6.909 8.719 1.00 0.00 H new ATOM 603 N PRO A 39 -8.009 -8.487 7.011 1.00 0.00 N ATOM 604 CA PRO A 39 -6.661 -8.171 6.520 1.00 0.00 C ATOM 605 C PRO A 39 -6.061 -6.982 7.281 1.00 0.00 C ATOM 606 O PRO A 39 -6.742 -6.031 7.617 1.00 0.00 O ATOM 607 CB PRO A 39 -6.894 -7.846 5.041 1.00 0.00 C ATOM 608 CG PRO A 39 -8.389 -7.466 4.904 1.00 0.00 C ATOM 609 CD PRO A 39 -9.103 -8.027 6.141 1.00 0.00 C ATOM 0 HA PRO A 39 -5.948 -8.983 6.662 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.254 -7.025 4.719 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.653 -8.703 4.413 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.509 -6.384 4.845 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.812 -7.884 3.990 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.708 -7.265 6.631 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.773 -8.845 5.877 1.00 0.00 H new ATOM 617 N ALA A 40 -4.783 -7.040 7.553 1.00 0.00 N ATOM 618 CA ALA A 40 -4.105 -5.934 8.292 1.00 0.00 C ATOM 619 C ALA A 40 -4.434 -4.594 7.644 1.00 0.00 C ATOM 620 O ALA A 40 -4.310 -3.552 8.252 1.00 0.00 O ATOM 621 CB ALA A 40 -2.605 -6.153 8.239 1.00 0.00 C ATOM 0 H ALA A 40 -4.174 -7.815 7.292 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.450 -5.927 9.326 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.101 -5.350 8.776 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.360 -7.109 8.702 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.274 -6.158 7.200 1.00 0.00 H new ATOM 627 N ASP A 41 -4.850 -4.610 6.413 1.00 0.00 N ATOM 628 CA ASP A 41 -5.182 -3.331 5.734 1.00 0.00 C ATOM 629 C ASP A 41 -6.313 -2.634 6.502 1.00 0.00 C ATOM 630 O ASP A 41 -6.142 -1.553 7.027 1.00 0.00 O ATOM 631 CB ASP A 41 -5.620 -3.612 4.294 1.00 0.00 C ATOM 632 CG ASP A 41 -5.795 -2.290 3.544 1.00 0.00 C ATOM 633 OD1 ASP A 41 -4.846 -1.524 3.500 1.00 0.00 O ATOM 634 OD2 ASP A 41 -6.876 -2.066 3.024 1.00 0.00 O ATOM 0 H ASP A 41 -4.975 -5.450 5.848 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.305 -2.684 5.715 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.877 -4.231 3.791 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.556 -4.171 4.290 1.00 0.00 H new ATOM 639 N GLN A 42 -7.464 -3.253 6.592 1.00 0.00 N ATOM 640 CA GLN A 42 -8.589 -2.628 7.354 1.00 0.00 C ATOM 641 C GLN A 42 -8.161 -2.509 8.807 1.00 0.00 C ATOM 642 O GLN A 42 -8.366 -1.510 9.464 1.00 0.00 O ATOM 643 CB GLN A 42 -9.831 -3.524 7.290 1.00 0.00 C ATOM 644 CG GLN A 42 -9.892 -4.227 5.933 1.00 0.00 C ATOM 645 CD GLN A 42 -11.338 -4.616 5.623 1.00 0.00 C ATOM 646 OE1 GLN A 42 -11.699 -5.774 5.707 1.00 0.00 O ATOM 647 NE2 GLN A 42 -12.187 -3.692 5.267 1.00 0.00 N ATOM 0 H GLN A 42 -7.673 -4.159 6.173 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.825 -1.653 6.927 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.800 -4.262 8.091 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.730 -2.927 7.441 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.506 -3.570 5.154 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.260 -5.115 5.943 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -11.884 -2.721 5.197 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.154 -3.941 5.059 1.00 0.00 H new ATOM 656 N LEU A 43 -7.566 -3.551 9.298 1.00 0.00 N ATOM 657 CA LEU A 43 -7.100 -3.589 10.703 1.00 0.00 C ATOM 658 C LEU A 43 -5.967 -2.588 10.917 1.00 0.00 C ATOM 659 O LEU A 43 -5.122 -2.404 10.067 1.00 0.00 O ATOM 660 CB LEU A 43 -6.566 -4.989 10.958 1.00 0.00 C ATOM 661 CG LEU A 43 -6.901 -5.425 12.369 1.00 0.00 C ATOM 662 CD1 LEU A 43 -8.265 -6.120 12.372 1.00 0.00 C ATOM 663 CD2 LEU A 43 -5.824 -6.397 12.831 1.00 0.00 C ATOM 0 H LEU A 43 -7.378 -4.402 8.768 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.919 -3.337 11.377 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.998 -5.687 10.241 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.486 -5.007 10.810 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.941 -4.566 13.038 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.510 -6.436 13.386 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.027 -5.428 12.013 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.230 -6.992 11.719 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.043 -6.726 13.847 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.804 -7.260 12.166 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.854 -5.901 12.812 1.00 0.00 H new ATOM 675 N ARG A 44 -5.918 -1.962 12.059 1.00 0.00 N ATOM 676 CA ARG A 44 -4.804 -1.011 12.315 1.00 0.00 C ATOM 677 C ARG A 44 -4.608 -0.843 13.809 1.00 0.00 C ATOM 678 O ARG A 44 -5.479 -0.393 14.523 1.00 0.00 O ATOM 679 CB ARG A 44 -5.075 0.322 11.639 1.00 0.00 C ATOM 680 CG ARG A 44 -4.136 0.425 10.437 1.00 0.00 C ATOM 681 CD ARG A 44 -4.956 0.455 9.149 1.00 0.00 C ATOM 682 NE ARG A 44 -4.159 1.110 8.074 1.00 0.00 N ATOM 683 CZ ARG A 44 -4.706 2.017 7.315 1.00 0.00 C ATOM 684 NH1 ARG A 44 -5.601 1.673 6.430 1.00 0.00 N ATOM 685 NH2 ARG A 44 -4.360 3.269 7.441 1.00 0.00 N ATOM 0 H ARG A 44 -6.592 -2.066 12.817 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.884 -1.413 11.891 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.115 0.386 11.320 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.903 1.146 12.332 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.528 1.326 10.514 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.451 -0.422 10.424 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.225 -0.559 8.852 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.887 0.998 9.310 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.184 0.848 7.932 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.872 0.695 6.333 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.030 2.383 5.836 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.661 3.538 8.134 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.788 3.979 6.847 1.00 0.00 H new ATOM 699 N VAL A 45 -3.466 -1.246 14.279 1.00 0.00 N ATOM 700 CA VAL A 45 -3.174 -1.190 15.731 1.00 0.00 C ATOM 701 C VAL A 45 -2.282 0.002 16.084 1.00 0.00 C ATOM 702 O VAL A 45 -1.139 0.084 15.681 1.00 0.00 O ATOM 703 CB VAL A 45 -2.461 -2.493 16.096 1.00 0.00 C ATOM 704 CG1 VAL A 45 -2.945 -2.979 17.456 1.00 0.00 C ATOM 705 CG2 VAL A 45 -2.797 -3.543 15.037 1.00 0.00 C ATOM 0 H VAL A 45 -2.709 -1.619 13.706 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.103 -1.069 16.288 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.384 -2.328 16.137 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.435 -3.907 17.713 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.727 -2.224 18.211 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.020 -3.154 17.418 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.296 -4.480 15.282 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.875 -3.703 15.013 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.460 -3.196 14.060 1.00 0.00 H new ATOM 715 N ILE A 46 -2.796 0.902 16.875 1.00 0.00 N ATOM 716 CA ILE A 46 -1.993 2.075 17.316 1.00 0.00 C ATOM 717 C ILE A 46 -1.807 1.940 18.828 1.00 0.00 C ATOM 718 O ILE A 46 -2.744 1.708 19.556 1.00 0.00 O ATOM 719 CB ILE A 46 -2.733 3.364 16.965 1.00 0.00 C ATOM 720 CG1 ILE A 46 -2.829 3.468 15.434 1.00 0.00 C ATOM 721 CG2 ILE A 46 -1.964 4.572 17.522 1.00 0.00 C ATOM 722 CD1 ILE A 46 -4.174 4.084 15.047 1.00 0.00 C ATOM 0 H ILE A 46 -3.749 0.874 17.238 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.023 2.110 16.819 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.732 3.353 17.402 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.013 4.079 15.049 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.727 2.480 14.985 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.495 5.490 17.269 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.885 4.485 18.606 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.965 4.600 17.087 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.242 4.158 13.962 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.983 3.455 15.419 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.258 5.079 15.484 1.00 0.00 H new ATOM 734 N PHE A 47 -0.606 2.026 19.307 1.00 0.00 N ATOM 735 CA PHE A 47 -0.381 1.817 20.768 1.00 0.00 C ATOM 736 C PHE A 47 -0.563 3.088 21.591 1.00 0.00 C ATOM 737 O PHE A 47 -0.008 4.120 21.288 1.00 0.00 O ATOM 738 CB PHE A 47 1.037 1.350 20.965 1.00 0.00 C ATOM 739 CG PHE A 47 1.467 1.762 22.336 1.00 0.00 C ATOM 740 CD1 PHE A 47 1.983 3.043 22.546 1.00 0.00 C ATOM 741 CD2 PHE A 47 1.354 0.860 23.388 1.00 0.00 C ATOM 742 CE1 PHE A 47 2.395 3.424 23.828 1.00 0.00 C ATOM 743 CE2 PHE A 47 1.772 1.232 24.672 1.00 0.00 C ATOM 744 CZ PHE A 47 2.295 2.515 24.892 1.00 0.00 C ATOM 0 H PHE A 47 0.230 2.230 18.760 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.118 1.089 21.106 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.102 0.268 20.853 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.692 1.788 20.212 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.064 3.737 21.722 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.945 -0.125 23.216 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.789 4.415 23.998 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.692 0.533 25.491 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.621 2.803 25.881 1.00 0.00 H new ATOM 754 N ALA A 48 -1.293 2.987 22.677 1.00 0.00 N ATOM 755 CA ALA A 48 -1.483 4.159 23.586 1.00 0.00 C ATOM 756 C ALA A 48 -2.190 5.292 22.859 1.00 0.00 C ATOM 757 O ALA A 48 -2.288 6.397 23.355 1.00 0.00 O ATOM 758 CB ALA A 48 -0.120 4.648 24.063 1.00 0.00 C ATOM 0 H ALA A 48 -1.769 2.135 22.973 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.093 3.849 24.434 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.252 5.503 24.726 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.387 3.846 24.600 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.481 4.945 23.204 1.00 0.00 H new ATOM 764 N GLY A 49 -2.689 5.033 21.694 1.00 0.00 N ATOM 765 CA GLY A 49 -3.392 6.100 20.944 1.00 0.00 C ATOM 766 C GLY A 49 -2.374 7.002 20.249 1.00 0.00 C ATOM 767 O GLY A 49 -2.730 8.008 19.667 1.00 0.00 O ATOM 0 H GLY A 49 -2.642 4.128 21.226 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.062 5.658 20.207 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.009 6.688 21.623 1.00 0.00 H new ATOM 771 N LYS A 50 -1.108 6.662 20.281 1.00 0.00 N ATOM 772 CA LYS A 50 -0.125 7.532 19.592 1.00 0.00 C ATOM 773 C LYS A 50 0.141 6.945 18.214 1.00 0.00 C ATOM 774 O LYS A 50 0.555 5.812 18.082 1.00 0.00 O ATOM 775 CB LYS A 50 1.175 7.601 20.396 1.00 0.00 C ATOM 776 CG LYS A 50 1.133 8.812 21.334 1.00 0.00 C ATOM 777 CD LYS A 50 0.360 8.450 22.605 1.00 0.00 C ATOM 778 CE LYS A 50 0.310 9.660 23.542 1.00 0.00 C ATOM 779 NZ LYS A 50 -1.109 9.963 23.883 1.00 0.00 N ATOM 0 H LYS A 50 -0.726 5.838 20.745 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.519 8.544 19.500 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.307 6.686 20.973 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.028 7.679 19.722 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.146 9.123 21.589 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.657 9.656 20.834 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.651 8.134 22.349 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.839 7.609 23.107 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.878 9.455 24.449 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.773 10.523 23.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.145 10.785 24.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.637 10.176 23.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.536 9.140 24.355 1.00 0.00 H new ATOM 793 N GLU A 51 -0.126 7.703 17.185 1.00 0.00 N ATOM 794 CA GLU A 51 0.078 7.189 15.806 1.00 0.00 C ATOM 795 C GLU A 51 1.452 6.546 15.679 1.00 0.00 C ATOM 796 O GLU A 51 2.419 7.177 15.298 1.00 0.00 O ATOM 797 CB GLU A 51 -0.032 8.323 14.792 1.00 0.00 C ATOM 798 CG GLU A 51 0.337 7.776 13.412 1.00 0.00 C ATOM 799 CD GLU A 51 -0.855 7.913 12.462 1.00 0.00 C ATOM 800 OE1 GLU A 51 -1.304 9.029 12.264 1.00 0.00 O ATOM 801 OE2 GLU A 51 -1.299 6.898 11.951 1.00 0.00 O ATOM 0 H GLU A 51 -0.478 8.659 17.243 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.694 6.446 15.606 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.045 8.725 14.782 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.633 9.142 15.065 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.195 8.318 13.014 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.631 6.729 13.493 1.00 0.00 H new ATOM 808 N LEU A 52 1.535 5.287 15.968 1.00 0.00 N ATOM 809 CA LEU A 52 2.795 4.566 15.850 1.00 0.00 C ATOM 810 C LEU A 52 2.663 3.782 14.525 1.00 0.00 C ATOM 811 O LEU A 52 1.761 2.982 14.370 1.00 0.00 O ATOM 812 CB LEU A 52 2.881 3.726 17.117 1.00 0.00 C ATOM 813 CG LEU A 52 3.155 2.306 16.800 1.00 0.00 C ATOM 814 CD1 LEU A 52 4.587 2.224 16.292 1.00 0.00 C ATOM 815 CD2 LEU A 52 2.980 1.514 18.093 1.00 0.00 C ATOM 0 H LEU A 52 0.750 4.721 16.290 1.00 0.00 H new ATOM 0 HA LEU A 52 3.716 5.147 15.793 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.668 4.116 17.762 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.946 3.804 17.672 1.00 0.00 H new ATOM 0 HG LEU A 52 2.485 1.903 16.040 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.827 1.189 16.047 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.693 2.842 15.400 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.268 2.582 17.064 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.174 0.458 17.902 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.681 1.882 18.843 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.960 1.635 18.459 1.00 0.00 H new ATOM 827 N PRO A 53 3.484 4.155 13.562 1.00 0.00 N ATOM 828 CA PRO A 53 3.403 3.638 12.168 1.00 0.00 C ATOM 829 C PRO A 53 3.652 2.138 11.990 1.00 0.00 C ATOM 830 O PRO A 53 4.152 1.445 12.854 1.00 0.00 O ATOM 831 CB PRO A 53 4.426 4.483 11.405 1.00 0.00 C ATOM 832 CG PRO A 53 5.393 5.054 12.461 1.00 0.00 C ATOM 833 CD PRO A 53 4.600 5.101 13.779 1.00 0.00 C ATOM 0 HA PRO A 53 2.382 3.731 11.797 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.962 3.877 10.674 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.934 5.285 10.855 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.278 4.426 12.560 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.738 6.048 12.177 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.217 4.802 14.626 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.235 6.106 13.989 1.00 0.00 H new ATOM 841 N ASN A 54 3.250 1.660 10.832 1.00 0.00 N ATOM 842 CA ASN A 54 3.374 0.213 10.474 1.00 0.00 C ATOM 843 C ASN A 54 4.839 -0.221 10.337 1.00 0.00 C ATOM 844 O ASN A 54 5.216 -1.294 10.764 1.00 0.00 O ATOM 845 CB ASN A 54 2.668 -0.053 9.133 1.00 0.00 C ATOM 846 CG ASN A 54 2.739 1.176 8.224 1.00 0.00 C ATOM 847 OD1 ASN A 54 3.810 1.654 7.909 1.00 0.00 O ATOM 848 ND2 ASN A 54 1.632 1.704 7.781 1.00 0.00 N ATOM 0 H ASN A 54 2.829 2.234 10.101 1.00 0.00 H new ATOM 0 HA ASN A 54 2.913 -0.358 11.280 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.132 -0.905 8.636 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.626 -0.318 9.312 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.665 2.519 7.169 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.733 1.302 8.046 1.00 0.00 H new ATOM 855 N HIS A 55 5.655 0.573 9.703 1.00 0.00 N ATOM 856 CA HIS A 55 7.077 0.168 9.493 1.00 0.00 C ATOM 857 C HIS A 55 7.895 0.284 10.781 1.00 0.00 C ATOM 858 O HIS A 55 8.680 -0.590 11.093 1.00 0.00 O ATOM 859 CB HIS A 55 7.693 1.062 8.417 1.00 0.00 C ATOM 860 CG HIS A 55 7.685 2.484 8.901 1.00 0.00 C ATOM 861 ND1 HIS A 55 6.627 3.342 8.649 1.00 0.00 N ATOM 862 CD2 HIS A 55 8.589 3.210 9.638 1.00 0.00 C ATOM 863 CE1 HIS A 55 6.916 4.524 9.224 1.00 0.00 C ATOM 864 NE2 HIS A 55 8.101 4.498 9.839 1.00 0.00 N ATOM 0 H HIS A 55 5.402 1.484 9.321 1.00 0.00 H new ATOM 0 HA HIS A 55 7.093 -0.876 9.181 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.713 0.743 8.201 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.129 0.977 7.488 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.534 2.838 10.005 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.269 5.388 9.192 1.00 0.00 H new ATOM 0 HE2 HIS A 55 8.552 5.259 10.347 1.00 0.00 H new ATOM 872 N LEU A 56 7.744 1.347 11.522 1.00 0.00 N ATOM 873 CA LEU A 56 8.545 1.488 12.774 1.00 0.00 C ATOM 874 C LEU A 56 8.578 0.147 13.513 1.00 0.00 C ATOM 875 O LEU A 56 7.787 -0.736 13.246 1.00 0.00 O ATOM 876 CB LEU A 56 7.926 2.560 13.673 1.00 0.00 C ATOM 877 CG LEU A 56 8.448 3.939 13.260 1.00 0.00 C ATOM 878 CD1 LEU A 56 7.959 4.985 14.263 1.00 0.00 C ATOM 879 CD2 LEU A 56 9.980 3.925 13.243 1.00 0.00 C ATOM 0 H LEU A 56 7.108 2.118 11.319 1.00 0.00 H new ATOM 0 HA LEU A 56 9.562 1.786 12.518 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.839 2.532 13.594 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.175 2.363 14.716 1.00 0.00 H new ATOM 0 HG LEU A 56 8.079 4.185 12.264 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.329 5.968 13.972 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.869 4.996 14.275 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.330 4.737 15.257 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.350 4.907 12.949 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.353 3.680 14.238 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.329 3.178 12.530 1.00 0.00 H new ATOM 891 N THR A 57 9.493 -0.021 14.427 1.00 0.00 N ATOM 892 CA THR A 57 9.579 -1.316 15.157 1.00 0.00 C ATOM 893 C THR A 57 8.651 -1.293 16.370 1.00 0.00 C ATOM 894 O THR A 57 8.123 -0.266 16.745 1.00 0.00 O ATOM 895 CB THR A 57 11.019 -1.555 15.614 1.00 0.00 C ATOM 896 OG1 THR A 57 11.719 -0.321 15.649 1.00 0.00 O ATOM 897 CG2 THR A 57 11.706 -2.506 14.636 1.00 0.00 C ATOM 0 H THR A 57 10.182 0.680 14.699 1.00 0.00 H new ATOM 0 HA THR A 57 9.273 -2.122 14.490 1.00 0.00 H new ATOM 0 HB THR A 57 11.017 -1.995 16.611 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.641 -0.476 15.944 1.00 0.00 H new ATOM 0 HG21 THR A 57 12.733 -2.679 14.958 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.168 -3.454 14.612 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.708 -2.064 13.639 1.00 0.00 H new ATOM 905 N VAL A 58 8.440 -2.429 16.976 1.00 0.00 N ATOM 906 CA VAL A 58 7.535 -2.492 18.154 1.00 0.00 C ATOM 907 C VAL A 58 8.082 -1.610 19.287 1.00 0.00 C ATOM 908 O VAL A 58 7.344 -0.957 19.994 1.00 0.00 O ATOM 909 CB VAL A 58 7.431 -3.944 18.630 1.00 0.00 C ATOM 910 CG1 VAL A 58 6.894 -3.974 20.061 1.00 0.00 C ATOM 911 CG2 VAL A 58 6.472 -4.705 17.711 1.00 0.00 C ATOM 0 H VAL A 58 8.858 -3.319 16.704 1.00 0.00 H new ATOM 0 HA VAL A 58 6.547 -2.127 17.872 1.00 0.00 H new ATOM 0 HB VAL A 58 8.416 -4.411 18.603 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.820 -5.007 20.400 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.571 -3.425 20.715 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.908 -3.511 20.089 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.393 -5.740 18.044 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.488 -4.237 17.744 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.851 -4.681 16.689 1.00 0.00 H new ATOM 921 N GLN A 59 9.371 -1.582 19.461 1.00 0.00 N ATOM 922 CA GLN A 59 9.962 -0.741 20.545 1.00 0.00 C ATOM 923 C GLN A 59 10.247 0.657 20.005 1.00 0.00 C ATOM 924 O GLN A 59 11.043 1.398 20.547 1.00 0.00 O ATOM 925 CB GLN A 59 11.272 -1.365 20.979 1.00 0.00 C ATOM 926 CG GLN A 59 11.125 -1.979 22.374 1.00 0.00 C ATOM 927 CD GLN A 59 11.400 -0.913 23.435 1.00 0.00 C ATOM 928 OE1 GLN A 59 10.874 0.180 23.368 1.00 0.00 O ATOM 929 NE2 GLN A 59 12.207 -1.188 24.424 1.00 0.00 N ATOM 0 H GLN A 59 10.045 -2.104 18.901 1.00 0.00 H new ATOM 0 HA GLN A 59 9.268 -0.679 21.383 1.00 0.00 H new ATOM 0 HB2 GLN A 59 11.573 -2.132 20.265 1.00 0.00 H new ATOM 0 HB3 GLN A 59 12.059 -0.610 20.986 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.120 -2.382 22.501 1.00 0.00 H new ATOM 0 HG3 GLN A 59 11.819 -2.811 22.491 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.649 -2.105 24.481 1.00 0.00 H new ATOM 0 HE22 GLN A 59 12.395 -0.485 25.139 1.00 0.00 H new ATOM 938 N ASN A 60 9.608 1.010 18.939 1.00 0.00 N ATOM 939 CA ASN A 60 9.837 2.360 18.339 1.00 0.00 C ATOM 940 C ASN A 60 8.988 3.386 19.077 1.00 0.00 C ATOM 941 O ASN A 60 9.495 4.314 19.678 1.00 0.00 O ATOM 942 CB ASN A 60 9.456 2.349 16.856 1.00 0.00 C ATOM 943 CG ASN A 60 10.393 3.284 16.088 1.00 0.00 C ATOM 944 OD1 ASN A 60 10.130 4.562 16.046 1.00 0.00 O flip ATOM 945 ND2 ASN A 60 11.376 2.848 15.522 1.00 0.00 N flip ATOM 0 H ASN A 60 8.931 0.426 18.447 1.00 0.00 H new ATOM 0 HA ASN A 60 10.892 2.620 18.430 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.526 1.337 16.458 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.422 2.669 16.732 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.582 1.850 15.554 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.995 3.480 15.015 1.00 0.00 H new ATOM 952 N CYS A 61 7.699 3.211 19.061 1.00 0.00 N ATOM 953 CA CYS A 61 6.825 4.156 19.792 1.00 0.00 C ATOM 954 C CYS A 61 6.983 3.872 21.284 1.00 0.00 C ATOM 955 O CYS A 61 6.631 4.680 22.117 1.00 0.00 O ATOM 956 CB CYS A 61 5.371 3.945 19.381 1.00 0.00 C ATOM 957 SG CYS A 61 4.342 3.856 20.863 1.00 0.00 S ATOM 0 H CYS A 61 7.217 2.456 18.574 1.00 0.00 H new ATOM 0 HA CYS A 61 7.102 5.185 19.563 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.039 4.763 18.742 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.274 3.027 18.801 1.00 0.00 H new ATOM 0 HG CYS A 61 4.875 4.576 21.805 1.00 0.00 H new ATOM 963 N ASP A 62 7.506 2.700 21.591 1.00 0.00 N ATOM 964 CA ASP A 62 7.723 2.249 22.999 1.00 0.00 C ATOM 965 C ASP A 62 6.668 1.203 23.346 1.00 0.00 C ATOM 966 O ASP A 62 6.200 1.136 24.466 1.00 0.00 O ATOM 967 CB ASP A 62 7.635 3.409 23.999 1.00 0.00 C ATOM 968 CG ASP A 62 8.677 4.473 23.649 1.00 0.00 C ATOM 969 OD1 ASP A 62 9.833 4.114 23.490 1.00 0.00 O ATOM 970 OD2 ASP A 62 8.302 5.630 23.550 1.00 0.00 O ATOM 0 H ASP A 62 7.800 2.018 20.891 1.00 0.00 H new ATOM 0 HA ASP A 62 8.727 1.831 23.070 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.636 3.844 23.978 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.802 3.042 25.012 1.00 0.00 H new ATOM 975 N LEU A 63 6.290 0.365 22.409 1.00 0.00 N ATOM 976 CA LEU A 63 5.271 -0.674 22.754 1.00 0.00 C ATOM 977 C LEU A 63 5.856 -1.552 23.838 1.00 0.00 C ATOM 978 O LEU A 63 5.388 -1.592 24.959 1.00 0.00 O ATOM 979 CB LEU A 63 4.975 -1.556 21.565 1.00 0.00 C ATOM 980 CG LEU A 63 4.232 -0.751 20.527 1.00 0.00 C ATOM 981 CD1 LEU A 63 4.913 -0.985 19.205 1.00 0.00 C ATOM 982 CD2 LEU A 63 2.782 -1.221 20.464 1.00 0.00 C ATOM 0 H LEU A 63 6.632 0.354 21.448 1.00 0.00 H new ATOM 0 HA LEU A 63 4.353 -0.179 23.072 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.902 -1.946 21.146 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.379 -2.415 21.873 1.00 0.00 H new ATOM 0 HG LEU A 63 4.238 0.311 20.774 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.402 -0.417 18.427 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.952 -0.661 19.268 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.879 -2.047 18.961 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.244 -0.641 19.715 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.753 -2.277 20.195 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.312 -1.082 21.437 1.00 0.00 H new ATOM 994 N GLU A 64 6.892 -2.262 23.493 1.00 0.00 N ATOM 995 CA GLU A 64 7.551 -3.156 24.478 1.00 0.00 C ATOM 996 C GLU A 64 6.567 -4.236 24.916 1.00 0.00 C ATOM 997 O GLU A 64 5.383 -3.991 25.037 1.00 0.00 O ATOM 998 CB GLU A 64 7.985 -2.333 25.694 1.00 0.00 C ATOM 999 CG GLU A 64 9.339 -1.684 25.414 1.00 0.00 C ATOM 1000 CD GLU A 64 9.620 -0.606 26.464 1.00 0.00 C ATOM 1001 OE1 GLU A 64 8.717 0.160 26.755 1.00 0.00 O ATOM 1002 OE2 GLU A 64 10.733 -0.568 26.960 1.00 0.00 O ATOM 0 H GLU A 64 7.312 -2.260 22.564 1.00 0.00 H new ATOM 0 HA GLU A 64 8.425 -3.624 24.025 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.241 -1.567 25.912 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.052 -2.973 26.574 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.126 -2.438 25.433 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.343 -1.244 24.417 1.00 0.00 H new ATOM 1009 N GLN A 65 7.052 -5.427 25.152 1.00 0.00 N ATOM 1010 CA GLN A 65 6.157 -6.538 25.589 1.00 0.00 C ATOM 1011 C GLN A 65 5.081 -5.984 26.530 1.00 0.00 C ATOM 1012 O GLN A 65 5.355 -5.165 27.382 1.00 0.00 O ATOM 1013 CB GLN A 65 6.986 -7.595 26.313 1.00 0.00 C ATOM 1014 CG GLN A 65 7.989 -6.913 27.240 1.00 0.00 C ATOM 1015 CD GLN A 65 7.277 -6.437 28.507 1.00 0.00 C ATOM 1016 OE1 GLN A 65 6.693 -7.227 29.223 1.00 0.00 O ATOM 1017 NE2 GLN A 65 7.298 -5.169 28.814 1.00 0.00 N ATOM 0 H GLN A 65 8.036 -5.679 25.060 1.00 0.00 H new ATOM 0 HA GLN A 65 5.676 -6.989 24.721 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.334 -8.253 26.887 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.510 -8.219 25.589 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.789 -7.606 27.499 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.452 -6.067 26.732 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.788 -4.507 28.213 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.824 -4.840 29.655 1.00 0.00 H new ATOM 1026 N GLN A 66 3.850 -6.380 26.357 1.00 0.00 N ATOM 1027 CA GLN A 66 2.777 -5.822 27.218 1.00 0.00 C ATOM 1028 C GLN A 66 2.540 -4.391 26.742 1.00 0.00 C ATOM 1029 O GLN A 66 3.349 -3.512 26.962 1.00 0.00 O ATOM 1030 CB GLN A 66 3.222 -5.818 28.684 1.00 0.00 C ATOM 1031 CG GLN A 66 1.988 -5.798 29.589 1.00 0.00 C ATOM 1032 CD GLN A 66 2.423 -5.924 31.050 1.00 0.00 C ATOM 1033 OE1 GLN A 66 2.494 -4.942 31.762 1.00 0.00 O ATOM 1034 NE2 GLN A 66 2.717 -7.100 31.530 1.00 0.00 N ATOM 0 H GLN A 66 3.545 -7.061 25.661 1.00 0.00 H new ATOM 0 HA GLN A 66 1.868 -6.420 27.149 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.827 -6.700 28.894 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.847 -4.948 28.884 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.432 -4.872 29.443 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.318 -6.617 29.326 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.657 -7.924 30.932 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.007 -7.196 32.503 1.00 0.00 H new ATOM 1043 N SER A 67 1.464 -4.158 26.054 1.00 0.00 N ATOM 1044 CA SER A 67 1.200 -2.799 25.518 1.00 0.00 C ATOM 1045 C SER A 67 -0.234 -2.753 25.041 1.00 0.00 C ATOM 1046 O SER A 67 -0.670 -3.598 24.288 1.00 0.00 O ATOM 1047 CB SER A 67 2.132 -2.553 24.338 1.00 0.00 C ATOM 1048 OG SER A 67 1.367 -2.155 23.209 1.00 0.00 O ATOM 0 H SER A 67 0.751 -4.854 25.838 1.00 0.00 H new ATOM 0 HA SER A 67 1.367 -2.040 26.282 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.859 -1.781 24.589 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.694 -3.458 24.109 1.00 0.00 H new ATOM 0 HG SER A 67 1.528 -2.777 22.469 1.00 0.00 H new ATOM 1054 N ILE A 68 -0.986 -1.791 25.459 1.00 0.00 N ATOM 1055 CA ILE A 68 -2.371 -1.750 25.010 1.00 0.00 C ATOM 1056 C ILE A 68 -2.414 -1.012 23.679 1.00 0.00 C ATOM 1057 O ILE A 68 -2.024 0.132 23.564 1.00 0.00 O ATOM 1058 CB ILE A 68 -3.188 -1.050 26.081 1.00 0.00 C ATOM 1059 CG1 ILE A 68 -3.789 -2.101 27.010 1.00 0.00 C ATOM 1060 CG2 ILE A 68 -4.294 -0.244 25.430 1.00 0.00 C ATOM 1061 CD1 ILE A 68 -2.697 -3.097 27.431 1.00 0.00 C ATOM 0 H ILE A 68 -0.697 -1.041 26.087 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.788 -2.746 24.859 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.550 -0.377 26.654 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.218 -1.622 27.890 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.600 -2.626 26.506 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.880 0.258 26.200 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.858 0.500 24.763 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.941 -0.909 24.858 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.126 -3.848 28.095 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.289 -3.585 26.546 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.901 -2.565 27.951 1.00 0.00 H new ATOM 1073 N VAL A 69 -2.862 -1.689 22.668 1.00 0.00 N ATOM 1074 CA VAL A 69 -2.919 -1.094 21.318 1.00 0.00 C ATOM 1075 C VAL A 69 -4.383 -0.883 20.928 1.00 0.00 C ATOM 1076 O VAL A 69 -5.280 -1.356 21.592 1.00 0.00 O ATOM 1077 CB VAL A 69 -2.268 -2.044 20.320 1.00 0.00 C ATOM 1078 CG1 VAL A 69 -1.194 -1.299 19.526 1.00 0.00 C ATOM 1079 CG2 VAL A 69 -1.632 -3.215 21.070 1.00 0.00 C ATOM 0 H VAL A 69 -3.198 -2.650 22.724 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.392 -0.140 21.313 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.026 -2.422 19.633 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.730 -1.981 18.813 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.650 -0.467 18.989 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.435 -0.917 20.209 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.166 -3.894 20.356 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.876 -2.838 21.759 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.400 -3.748 21.631 1.00 0.00 H new ATOM 1089 N HIS A 70 -4.638 -0.186 19.862 1.00 0.00 N ATOM 1090 CA HIS A 70 -6.047 0.038 19.448 1.00 0.00 C ATOM 1091 C HIS A 70 -6.224 -0.404 17.995 1.00 0.00 C ATOM 1092 O HIS A 70 -5.758 0.244 17.079 1.00 0.00 O ATOM 1093 CB HIS A 70 -6.378 1.527 19.576 1.00 0.00 C ATOM 1094 CG HIS A 70 -7.860 1.704 19.774 1.00 0.00 C ATOM 1095 ND1 HIS A 70 -8.721 1.976 18.722 1.00 0.00 N ATOM 1096 CD2 HIS A 70 -8.645 1.662 20.899 1.00 0.00 C ATOM 1097 CE1 HIS A 70 -9.962 2.087 19.232 1.00 0.00 C ATOM 1098 NE2 HIS A 70 -9.971 1.902 20.555 1.00 0.00 N ATOM 0 H HIS A 70 -3.933 0.238 19.259 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.716 -0.540 20.086 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.835 1.959 20.417 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.055 2.059 18.681 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.287 1.471 21.900 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -10.842 2.300 18.644 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -10.777 1.931 21.179 1.00 0.00 H new ATOM 1106 N ILE A 71 -6.888 -1.506 17.778 1.00 0.00 N ATOM 1107 CA ILE A 71 -7.093 -1.996 16.396 1.00 0.00 C ATOM 1108 C ILE A 71 -8.347 -1.356 15.789 1.00 0.00 C ATOM 1109 O ILE A 71 -9.347 -1.164 16.453 1.00 0.00 O ATOM 1110 CB ILE A 71 -7.191 -3.526 16.413 1.00 0.00 C ATOM 1111 CG1 ILE A 71 -8.598 -3.984 16.127 1.00 0.00 C ATOM 1112 CG2 ILE A 71 -6.745 -4.097 17.744 1.00 0.00 C ATOM 1113 CD1 ILE A 71 -8.666 -4.345 14.656 1.00 0.00 C ATOM 0 H ILE A 71 -7.298 -2.089 18.508 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.246 -1.712 15.771 1.00 0.00 H new ATOM 0 HB ILE A 71 -6.526 -3.892 15.631 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.855 -4.844 16.746 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.314 -3.196 16.363 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.828 -5.184 17.720 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.709 -3.816 17.931 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.377 -3.703 18.539 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.673 -4.682 14.410 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.420 -3.470 14.055 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.954 -5.143 14.444 1.00 0.00 H new ATOM 1125 N VAL A 72 -8.296 -1.024 14.528 1.00 0.00 N ATOM 1126 CA VAL A 72 -9.476 -0.407 13.861 1.00 0.00 C ATOM 1127 C VAL A 72 -9.654 -1.056 12.489 1.00 0.00 C ATOM 1128 O VAL A 72 -8.706 -1.223 11.748 1.00 0.00 O ATOM 1129 CB VAL A 72 -9.255 1.097 13.686 1.00 0.00 C ATOM 1130 CG1 VAL A 72 -10.431 1.693 12.908 1.00 0.00 C ATOM 1131 CG2 VAL A 72 -9.166 1.767 15.059 1.00 0.00 C ATOM 0 H VAL A 72 -7.482 -1.155 13.928 1.00 0.00 H new ATOM 0 HA VAL A 72 -10.365 -0.563 14.472 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.327 1.266 13.139 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.278 2.765 12.781 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -10.498 1.218 11.929 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -11.356 1.522 13.459 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.009 2.838 14.932 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.093 1.599 15.607 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.333 1.342 15.618 1.00 0.00 H new ATOM 1141 N GLN A 73 -10.853 -1.434 12.145 1.00 0.00 N ATOM 1142 CA GLN A 73 -11.072 -2.079 10.821 1.00 0.00 C ATOM 1143 C GLN A 73 -11.995 -1.212 9.963 1.00 0.00 C ATOM 1144 O GLN A 73 -13.077 -0.848 10.376 1.00 0.00 O ATOM 1145 CB GLN A 73 -11.717 -3.448 11.030 1.00 0.00 C ATOM 1146 CG GLN A 73 -11.805 -4.182 9.691 1.00 0.00 C ATOM 1147 CD GLN A 73 -13.166 -4.869 9.579 1.00 0.00 C ATOM 1148 OE1 GLN A 73 -13.403 -5.881 10.209 1.00 0.00 O ATOM 1149 NE2 GLN A 73 -14.078 -4.358 8.799 1.00 0.00 N ATOM 0 H GLN A 73 -11.688 -1.325 12.721 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.114 -2.192 10.314 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.131 -4.033 11.739 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.712 -3.331 11.458 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.671 -3.479 8.869 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.006 -4.919 9.614 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.879 -3.509 8.270 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.990 -4.808 8.718 1.00 0.00 H new