USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 627 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 55 THR OG1 : rot -46:sc= 2.15 USER MOD Set 1.2: A 57 SER OG : rot -12:sc= 0.846 USER MOD Set 2.1: A 22 THR OG1 : rot -164:sc= -0.483 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.0855 K(o=-0.57,f=-2.2!) USER MOD Single : A 1 MET CE :methyl 168:sc= -4.25! (180deg=-4.47!) USER MOD Single : A 1 MET N :NH3+ -177:sc= 1.16 (180deg=1.15) USER MOD Single : A 2 GLN : amide:sc= -0.575 K(o=-0.57,f=-2) USER MOD Single : A 6 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.056) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 39:sc= 0.0841 USER MOD Single : A 14 THR OG1 : rot -51:sc= -0.0444 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 1.19 (180deg=1.15) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -2.76! C(o=-2.8!,f=-5.4!) USER MOD Single : A 33 LYS NZ :NH3+ 169:sc=-0.00739 (180deg=-0.137) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 41 GLN : amide:sc= -0.618 X(o=-0.62,f=-0.47) USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0834) USER MOD Single : A 49 GLN : amide:sc= 0.00942 K(o=0.0094,f=-2.3!) USER MOD Single : A 59 TYR OH : rot 90:sc= 0.408 USER MOD Single : A 60 ASN : amide:sc=-0.00502 K(o=-0.005,f=-1) USER MOD Single : A 62 GLN : amide:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.257 X(o=-0.26,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.026 24.872 2.859 1.00 49.53 N ATOM 2 CA MET A 1 25.963 25.863 3.105 1.00 50.07 C ATOM 3 C MET A 1 26.601 27.180 3.608 1.00 50.51 C ATOM 4 O MET A 1 27.786 27.177 3.940 1.00 49.49 O ATOM 5 CB MET A 1 24.959 25.328 4.124 1.00 49.82 C ATOM 6 CG MET A 1 23.942 24.350 3.552 1.00 49.86 C ATOM 7 SD MET A 1 22.719 23.827 4.771 1.00 49.91 S ATOM 8 CE MET A 1 23.705 22.736 5.792 1.00 49.78 C ATOM 0 H1 MET A 1 26.607 24.002 2.472 1.00 49.53 H new ATOM 0 H2 MET A 1 27.710 25.259 2.178 1.00 49.53 H new ATOM 0 H3 MET A 1 27.512 24.655 3.753 1.00 49.53 H new ATOM 0 HA MET A 1 25.427 26.056 2.176 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.504 24.836 4.929 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.426 26.169 4.567 1.00 49.82 H new ATOM 0 HG2 MET A 1 23.432 24.814 2.708 1.00 49.86 H new ATOM 0 HG3 MET A 1 24.463 23.474 3.167 1.00 49.86 H new ATOM 0 HE1 MET A 1 23.159 22.500 6.705 1.00 49.78 H new ATOM 0 HE2 MET A 1 23.913 21.816 5.246 1.00 49.78 H new ATOM 0 HE3 MET A 1 24.644 23.227 6.047 1.00 49.78 H new ATOM 18 N GLN A 2 25.786 28.191 3.634 1.00 49.53 N ATOM 19 CA GLN A 2 26.280 29.510 4.140 1.00 50.07 C ATOM 20 C GLN A 2 25.574 29.667 5.478 1.00 50.51 C ATOM 21 O GLN A 2 24.418 29.209 5.699 1.00 49.49 O ATOM 22 CB GLN A 2 25.914 30.652 3.189 1.00 49.82 C ATOM 23 CG GLN A 2 26.656 30.620 1.863 1.00 49.82 C ATOM 24 CD GLN A 2 26.308 29.399 1.035 1.00 50.55 C ATOM 25 OE1 GLN A 2 25.157 28.955 1.010 1.00 49.45 O ATOM 26 NE2 GLN A 2 27.304 28.846 0.352 1.00 49.38 N ATOM 0 H GLN A 2 24.812 28.170 3.333 1.00 49.53 H new ATOM 0 HA GLN A 2 27.366 29.544 4.224 1.00 50.07 H new ATOM 0 HB2 GLN A 2 24.842 30.618 2.994 1.00 49.82 H new ATOM 0 HB3 GLN A 2 26.118 31.602 3.684 1.00 49.82 H new ATOM 0 HG2 GLN A 2 26.419 31.520 1.295 1.00 49.82 H new ATOM 0 HG3 GLN A 2 27.730 30.635 2.050 1.00 49.82 H new ATOM 0 HE21 GLN A 2 28.241 29.247 0.402 1.00 49.38 H new ATOM 0 HE22 GLN A 2 27.132 28.021 -0.222 1.00 49.38 H new ATOM 35 N ILE A 3 26.284 30.268 6.422 1.00 49.53 N ATOM 36 CA ILE A 3 25.677 30.616 7.720 1.00 50.07 C ATOM 37 C ILE A 3 26.505 31.856 8.168 1.00 50.51 C ATOM 38 O ILE A 3 27.636 31.936 7.718 1.00 49.49 O ATOM 39 CB ILE A 3 25.797 29.484 8.757 1.00 49.91 C ATOM 40 CG1 ILE A 3 25.024 29.842 10.028 1.00 49.82 C ATOM 41 CG2 ILE A 3 27.258 29.209 9.077 1.00 49.73 C ATOM 42 CD1 ILE A 3 24.840 28.679 10.978 1.00 49.73 C ATOM 0 H ILE A 3 27.266 30.526 6.327 1.00 49.53 H new ATOM 0 HA ILE A 3 24.606 30.799 7.635 1.00 50.07 H new ATOM 0 HB ILE A 3 25.363 28.578 8.334 1.00 49.91 H new ATOM 0 HG12 ILE A 3 25.548 30.644 10.547 1.00 49.82 H new ATOM 0 HG13 ILE A 3 24.044 30.230 9.749 1.00 49.82 H new ATOM 0 HG21 ILE A 3 27.325 28.406 9.811 1.00 49.73 H new ATOM 0 HG22 ILE A 3 27.780 28.913 8.167 1.00 49.73 H new ATOM 0 HG23 ILE A 3 27.718 30.111 9.482 1.00 49.73 H new ATOM 0 HD11 ILE A 3 24.284 29.010 11.855 1.00 49.73 H new ATOM 0 HD12 ILE A 3 24.288 27.884 10.477 1.00 49.73 H new ATOM 0 HD13 ILE A 3 25.816 28.304 11.288 1.00 49.73 H new ATOM 54 N PHE A 4 25.854 32.658 8.976 1.00 49.53 N ATOM 55 CA PHE A 4 26.582 33.886 9.474 1.00 50.07 C ATOM 56 C PHE A 4 26.852 33.771 10.948 1.00 50.51 C ATOM 57 O PHE A 4 26.048 33.089 11.599 1.00 49.49 O ATOM 58 CB PHE A 4 25.770 35.149 9.181 1.00 49.82 C ATOM 59 CG PHE A 4 25.608 35.440 7.716 1.00 50.00 C ATOM 60 CD1 PHE A 4 24.684 34.741 6.953 1.00 49.88 C ATOM 61 CD2 PHE A 4 26.380 36.411 7.097 1.00 49.88 C ATOM 62 CE1 PHE A 4 24.534 35.008 5.605 1.00 49.88 C ATOM 63 CE2 PHE A 4 26.232 36.681 5.751 1.00 49.88 C ATOM 64 CZ PHE A 4 25.309 35.977 5.004 1.00 49.88 C ATOM 0 H PHE A 4 24.896 32.534 9.304 1.00 49.53 H new ATOM 0 HA PHE A 4 27.534 33.958 8.948 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.783 35.048 9.633 1.00 49.82 H new ATOM 0 HB3 PHE A 4 26.254 36.000 9.659 1.00 49.82 H new ATOM 0 HD1 PHE A 4 24.075 33.980 7.417 1.00 49.88 H new ATOM 0 HD2 PHE A 4 27.106 36.963 7.675 1.00 49.88 H new ATOM 0 HE1 PHE A 4 23.810 34.458 5.023 1.00 49.88 H new ATOM 0 HE2 PHE A 4 26.838 37.443 5.283 1.00 49.88 H new ATOM 0 HZ PHE A 4 25.194 36.185 3.950 1.00 49.88 H new ATOM 74 N VAL A 5 27.872 34.415 11.506 1.00 49.53 N ATOM 75 CA VAL A 5 28.104 34.395 12.937 1.00 50.07 C ATOM 76 C VAL A 5 28.141 35.855 13.449 1.00 50.51 C ATOM 77 O VAL A 5 29.174 36.458 13.136 1.00 49.49 O ATOM 78 CB VAL A 5 29.424 33.688 13.295 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.643 33.700 14.800 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.423 32.260 12.770 1.00 49.73 C ATOM 0 H VAL A 5 28.554 34.961 10.979 1.00 49.53 H new ATOM 0 HA VAL A 5 27.296 33.837 13.411 1.00 50.07 H new ATOM 0 HB VAL A 5 30.244 34.229 12.822 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.580 33.196 15.035 1.00 49.73 H new ATOM 0 HG12 VAL A 5 29.686 34.730 15.153 1.00 49.73 H new ATOM 0 HG13 VAL A 5 28.819 33.182 15.292 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.363 31.775 13.032 1.00 49.73 H new ATOM 0 HG22 VAL A 5 28.595 31.709 13.215 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.310 32.271 11.686 1.00 49.73 H new ATOM 90 N LYS A 6 27.122 36.271 14.117 1.00 49.53 N ATOM 91 CA LYS A 6 27.065 37.690 14.612 1.00 50.07 C ATOM 92 C LYS A 6 27.769 37.836 15.933 1.00 50.51 C ATOM 93 O LYS A 6 27.459 37.102 16.900 1.00 49.49 O ATOM 94 CB LYS A 6 25.613 38.155 14.736 1.00 49.82 C ATOM 95 CG LYS A 6 25.450 39.643 15.015 1.00 49.82 C ATOM 96 CD LYS A 6 23.993 40.005 15.257 1.00 49.82 C ATOM 97 CE LYS A 6 23.834 41.486 15.568 1.00 50.21 C ATOM 98 NZ LYS A 6 24.393 41.839 16.900 1.00 49.70 N ATOM 0 H LYS A 6 26.311 35.699 14.353 1.00 49.53 H new ATOM 0 HA LYS A 6 27.578 38.317 13.883 1.00 50.07 H new ATOM 0 HB2 LYS A 6 25.086 37.911 13.813 1.00 49.82 H new ATOM 0 HB3 LYS A 6 25.131 37.593 15.536 1.00 49.82 H new ATOM 0 HG2 LYS A 6 26.045 39.919 15.886 1.00 49.82 H new ATOM 0 HG3 LYS A 6 25.834 40.217 14.172 1.00 49.82 H new ATOM 0 HD2 LYS A 6 23.402 39.751 14.377 1.00 49.82 H new ATOM 0 HD3 LYS A 6 23.602 39.414 16.085 1.00 49.82 H new ATOM 0 HE2 LYS A 6 24.334 42.074 14.798 1.00 50.21 H new ATOM 0 HE3 LYS A 6 22.777 41.752 15.536 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 24.145 42.822 17.131 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 23.997 41.204 17.622 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 25.428 41.738 16.880 1.00 49.70 H new ATOM 112 N THR A 7 28.728 38.785 16.020 1.00 49.53 N ATOM 113 CA THR A 7 29.457 38.985 17.282 1.00 50.07 C ATOM 114 C THR A 7 28.879 40.238 17.943 1.00 50.51 C ATOM 115 O THR A 7 28.041 40.888 17.313 1.00 49.49 O ATOM 116 CB THR A 7 30.969 39.166 17.055 1.00 50.14 C ATOM 117 OG1 THR A 7 31.626 39.348 18.317 1.00 49.34 O ATOM 118 CG2 THR A 7 31.235 40.373 16.171 1.00 49.73 C ATOM 0 H THR A 7 29.005 39.403 15.257 1.00 49.53 H new ATOM 0 HA THR A 7 29.337 38.104 17.913 1.00 50.07 H new ATOM 0 HB THR A 7 31.356 38.275 16.561 1.00 50.14 H new ATOM 0 HG1 THR A 7 32.588 39.461 18.171 1.00 49.34 H new ATOM 0 HG21 THR A 7 32.309 40.485 16.022 1.00 49.73 H new ATOM 0 HG22 THR A 7 30.747 40.232 15.206 1.00 49.73 H new ATOM 0 HG23 THR A 7 30.840 41.269 16.650 1.00 49.73 H new ATOM 126 N LEU A 8 29.289 40.542 19.155 1.00 49.53 N ATOM 127 CA LEU A 8 28.742 41.713 19.877 1.00 50.07 C ATOM 128 C LEU A 8 28.783 42.990 19.062 1.00 50.51 C ATOM 129 O LEU A 8 27.884 43.840 19.205 1.00 49.49 O ATOM 130 CB LEU A 8 29.497 41.911 21.197 1.00 49.82 C ATOM 131 CG LEU A 8 28.906 41.169 22.404 1.00 49.91 C ATOM 132 CD1 LEU A 8 28.675 39.705 22.054 1.00 49.73 C ATOM 133 CD2 LEU A 8 29.850 41.297 23.591 1.00 49.73 C ATOM 0 H LEU A 8 29.991 40.013 19.673 1.00 49.53 H new ATOM 0 HA LEU A 8 27.691 41.499 20.072 1.00 50.07 H new ATOM 0 HB2 LEU A 8 30.528 41.586 21.060 1.00 49.82 H new ATOM 0 HB3 LEU A 8 29.526 42.977 21.424 1.00 49.82 H new ATOM 0 HG LEU A 8 27.946 41.612 22.670 1.00 49.91 H new ATOM 0 HD11 LEU A 8 28.256 39.187 22.916 1.00 49.73 H new ATOM 0 HD12 LEU A 8 27.981 39.636 21.216 1.00 49.73 H new ATOM 0 HD13 LEU A 8 29.623 39.243 21.779 1.00 49.73 H new ATOM 0 HD21 LEU A 8 29.430 40.770 24.448 1.00 49.73 H new ATOM 0 HD22 LEU A 8 30.817 40.863 23.336 1.00 49.73 H new ATOM 0 HD23 LEU A 8 29.980 42.350 23.841 1.00 49.73 H new ATOM 145 N THR A 9 29.764 43.118 18.147 1.00 49.53 N ATOM 146 CA THR A 9 29.761 44.400 17.364 1.00 50.07 C ATOM 147 C THR A 9 28.962 44.464 16.098 1.00 50.51 C ATOM 148 O THR A 9 29.154 45.352 15.246 1.00 49.49 O ATOM 149 CB THR A 9 31.202 44.821 17.025 1.00 50.14 C ATOM 150 OG1 THR A 9 31.891 43.727 16.407 1.00 49.34 O ATOM 151 CG2 THR A 9 31.947 45.236 18.285 1.00 49.73 C ATOM 0 H THR A 9 30.498 42.443 17.935 1.00 49.53 H new ATOM 0 HA THR A 9 29.251 45.077 18.049 1.00 50.07 H new ATOM 0 HB THR A 9 31.164 45.668 16.341 1.00 50.14 H new ATOM 0 HG1 THR A 9 32.808 43.998 16.191 1.00 49.34 H new ATOM 0 HG21 THR A 9 32.964 45.530 18.026 1.00 49.73 H new ATOM 0 HG22 THR A 9 31.433 46.077 18.751 1.00 49.73 H new ATOM 0 HG23 THR A 9 31.978 44.398 18.982 1.00 49.73 H new ATOM 159 N GLY A 10 28.105 43.517 15.869 1.00 49.53 N ATOM 160 CA GLY A 10 27.267 43.455 14.693 1.00 49.98 C ATOM 161 C GLY A 10 27.948 42.828 13.514 1.00 50.51 C ATOM 162 O GLY A 10 27.302 42.571 12.473 1.00 49.49 O ATOM 0 H GLY A 10 27.959 42.738 16.511 1.00 49.53 H new ATOM 0 HA2 GLY A 10 26.365 42.889 14.927 1.00 49.98 H new ATOM 0 HA3 GLY A 10 26.950 44.463 14.427 1.00 49.98 H new ATOM 166 N LYS A 11 29.234 42.614 13.632 1.00 49.53 N ATOM 167 CA LYS A 11 30.008 41.918 12.614 1.00 50.07 C ATOM 168 C LYS A 11 29.494 40.471 12.439 1.00 50.51 C ATOM 169 O LYS A 11 29.502 39.755 13.434 1.00 49.49 O ATOM 170 CB LYS A 11 31.493 41.912 12.979 1.00 49.82 C ATOM 171 CG LYS A 11 32.164 43.277 12.910 1.00 49.82 C ATOM 172 CD LYS A 11 33.680 43.147 12.872 1.00 49.82 C ATOM 173 CE LYS A 11 34.356 44.493 13.089 1.00 50.21 C ATOM 174 NZ LYS A 11 34.158 45.408 11.932 1.00 49.70 N ATOM 0 H LYS A 11 29.783 42.915 14.437 1.00 49.53 H new ATOM 0 HA LYS A 11 29.886 42.447 11.669 1.00 50.07 H new ATOM 0 HB2 LYS A 11 31.605 41.517 13.989 1.00 49.82 H new ATOM 0 HB3 LYS A 11 32.016 41.229 12.310 1.00 49.82 H new ATOM 0 HG2 LYS A 11 31.820 43.809 12.023 1.00 49.82 H new ATOM 0 HG3 LYS A 11 31.870 43.873 13.774 1.00 49.82 H new ATOM 0 HD2 LYS A 11 34.006 42.446 13.640 1.00 49.82 H new ATOM 0 HD3 LYS A 11 33.988 42.734 11.911 1.00 49.82 H new ATOM 0 HE2 LYS A 11 33.958 44.958 13.991 1.00 50.21 H new ATOM 0 HE3 LYS A 11 35.423 44.341 13.253 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 34.634 46.313 12.120 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 34.560 44.977 11.075 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 33.141 45.574 11.791 1.00 49.70 H new ATOM 188 N THR A 12 29.137 40.118 11.218 1.00 49.53 N ATOM 189 CA THR A 12 28.724 38.718 11.001 1.00 50.07 C ATOM 190 C THR A 12 29.718 38.047 10.054 1.00 50.51 C ATOM 191 O THR A 12 29.913 38.612 8.976 1.00 49.49 O ATOM 192 CB THR A 12 27.306 38.624 10.407 1.00 50.14 C ATOM 193 OG1 THR A 12 27.137 39.635 9.404 1.00 49.34 O ATOM 194 CG2 THR A 12 26.260 38.813 11.494 1.00 49.73 C ATOM 0 H THR A 12 29.119 40.726 10.400 1.00 49.53 H new ATOM 0 HA THR A 12 28.713 38.213 11.967 1.00 50.07 H new ATOM 0 HB THR A 12 27.179 37.637 9.962 1.00 50.14 H new ATOM 0 HG1 THR A 12 27.963 39.720 8.883 1.00 49.34 H new ATOM 0 HG21 THR A 12 25.264 38.744 11.057 1.00 49.73 H new ATOM 0 HG22 THR A 12 26.378 38.038 12.252 1.00 49.73 H new ATOM 0 HG23 THR A 12 26.387 39.793 11.954 1.00 49.73 H new ATOM 202 N ILE A 13 30.181 36.858 10.439 1.00 49.53 N ATOM 203 CA ILE A 13 31.146 36.217 9.497 1.00 50.07 C ATOM 204 C ILE A 13 30.510 35.098 8.719 1.00 50.51 C ATOM 205 O ILE A 13 29.740 34.303 9.292 1.00 49.49 O ATOM 206 CB ILE A 13 32.379 35.672 10.241 1.00 49.91 C ATOM 207 CG1 ILE A 13 33.143 36.813 10.916 1.00 49.82 C ATOM 208 CG2 ILE A 13 33.286 34.914 9.283 1.00 49.73 C ATOM 209 CD1 ILE A 13 34.079 36.357 12.012 1.00 49.73 C ATOM 0 H ILE A 13 29.949 36.351 11.293 1.00 49.53 H new ATOM 0 HA ILE A 13 31.459 36.996 8.802 1.00 50.07 H new ATOM 0 HB ILE A 13 32.040 34.981 11.013 1.00 49.91 H new ATOM 0 HG12 ILE A 13 33.717 37.350 10.161 1.00 49.82 H new ATOM 0 HG13 ILE A 13 32.426 37.520 11.334 1.00 49.82 H new ATOM 0 HG21 ILE A 13 34.153 34.536 9.825 1.00 49.73 H new ATOM 0 HG22 ILE A 13 32.738 34.079 8.847 1.00 49.73 H new ATOM 0 HG23 ILE A 13 33.618 35.584 8.490 1.00 49.73 H new ATOM 0 HD11 ILE A 13 34.584 37.222 12.442 1.00 49.73 H new ATOM 0 HD12 ILE A 13 33.509 35.846 12.788 1.00 49.73 H new ATOM 0 HD13 ILE A 13 34.820 35.674 11.597 1.00 49.73 H new ATOM 221 N THR A 14 30.746 35.034 7.428 1.00 49.53 N ATOM 222 CA THR A 14 30.142 33.894 6.677 1.00 50.07 C ATOM 223 C THR A 14 31.080 32.718 6.583 1.00 50.51 C ATOM 224 O THR A 14 32.229 32.862 6.090 1.00 49.49 O ATOM 225 CB THR A 14 29.725 34.314 5.256 1.00 50.14 C ATOM 226 OG1 THR A 14 28.739 35.352 5.332 1.00 49.34 O ATOM 227 CG2 THR A 14 29.151 33.128 4.495 1.00 49.73 C ATOM 0 H THR A 14 31.305 35.691 6.885 1.00 49.53 H new ATOM 0 HA THR A 14 29.258 33.595 7.241 1.00 50.07 H new ATOM 0 HB THR A 14 30.606 34.678 4.728 1.00 50.14 H new ATOM 0 HG1 THR A 14 28.022 35.078 5.942 1.00 49.34 H new ATOM 0 HG21 THR A 14 28.862 33.444 3.493 1.00 49.73 H new ATOM 0 HG22 THR A 14 29.903 32.342 4.425 1.00 49.73 H new ATOM 0 HG23 THR A 14 28.276 32.747 5.022 1.00 49.73 H new ATOM 235 N LEU A 15 30.637 31.528 6.953 1.00 49.53 N ATOM 236 CA LEU A 15 31.471 30.345 6.912 1.00 50.07 C ATOM 237 C LEU A 15 30.963 29.341 5.870 1.00 50.51 C ATOM 238 O LEU A 15 29.746 29.244 5.782 1.00 49.49 O ATOM 239 CB LEU A 15 31.530 29.691 8.299 1.00 49.82 C ATOM 240 CG LEU A 15 32.106 30.574 9.413 1.00 49.91 C ATOM 241 CD1 LEU A 15 31.985 29.865 10.755 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.558 30.901 9.105 1.00 49.73 C ATOM 0 H LEU A 15 29.689 31.358 7.290 1.00 49.53 H new ATOM 0 HA LEU A 15 32.476 30.650 6.620 1.00 50.07 H new ATOM 0 HB2 LEU A 15 30.523 29.387 8.583 1.00 49.82 H new ATOM 0 HB3 LEU A 15 32.130 28.783 8.230 1.00 49.82 H new ATOM 0 HG LEU A 15 31.542 31.505 9.467 1.00 49.91 H new ATOM 0 HD11 LEU A 15 32.397 30.499 11.540 1.00 49.73 H new ATOM 0 HD12 LEU A 15 30.935 29.662 10.966 1.00 49.73 H new ATOM 0 HD13 LEU A 15 32.537 28.926 10.721 1.00 49.73 H new ATOM 0 HD21 LEU A 15 33.966 31.528 9.898 1.00 49.73 H new ATOM 0 HD22 LEU A 15 34.133 29.977 9.041 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.618 31.432 8.155 1.00 49.73 H new ATOM 254 N GLU A 16 31.896 28.667 5.242 1.00 49.53 N ATOM 255 CA GLU A 16 31.446 27.577 4.315 1.00 50.07 C ATOM 256 C GLU A 16 31.579 26.212 4.956 1.00 50.51 C ATOM 257 O GLU A 16 32.646 25.609 4.864 1.00 49.49 O ATOM 258 CB GLU A 16 32.245 27.623 3.010 1.00 49.82 C ATOM 259 CG GLU A 16 31.955 28.837 2.137 1.00 49.72 C ATOM 260 CD GLU A 16 30.587 28.751 1.519 1.00 50.62 C ATOM 261 OE1 GLU A 16 29.979 27.711 1.611 1.00 49.24 O ATOM 262 OE2 GLU A 16 30.103 29.757 1.056 1.00 49.24 O ATOM 0 H GLU A 16 32.903 28.811 5.322 1.00 49.53 H new ATOM 0 HA GLU A 16 30.392 27.745 4.096 1.00 50.07 H new ATOM 0 HB2 GLU A 16 33.308 27.608 3.249 1.00 49.82 H new ATOM 0 HB3 GLU A 16 32.034 26.720 2.437 1.00 49.82 H new ATOM 0 HG2 GLU A 16 32.029 29.745 2.736 1.00 49.72 H new ATOM 0 HG3 GLU A 16 32.707 28.911 1.352 1.00 49.72 H new ATOM 269 N VAL A 17 30.522 25.880 5.682 1.00 49.53 N ATOM 270 CA VAL A 17 30.458 24.627 6.424 1.00 50.07 C ATOM 271 C VAL A 17 29.442 23.622 5.860 1.00 50.51 C ATOM 272 O VAL A 17 28.669 23.922 4.921 1.00 49.49 O ATOM 273 CB VAL A 17 30.127 24.877 7.908 1.00 49.91 C ATOM 274 CG1 VAL A 17 31.215 25.717 8.561 1.00 49.73 C ATOM 275 CG2 VAL A 17 28.775 25.558 8.045 1.00 49.73 C ATOM 0 H VAL A 17 29.691 26.464 5.774 1.00 49.53 H new ATOM 0 HA VAL A 17 31.450 24.188 6.320 1.00 50.07 H new ATOM 0 HB VAL A 17 30.081 23.915 8.418 1.00 49.91 H new ATOM 0 HG11 VAL A 17 30.966 25.884 9.609 1.00 49.73 H new ATOM 0 HG12 VAL A 17 32.169 25.193 8.494 1.00 49.73 H new ATOM 0 HG13 VAL A 17 31.291 26.676 8.049 1.00 49.73 H new ATOM 0 HG21 VAL A 17 28.558 25.727 9.100 1.00 49.73 H new ATOM 0 HG22 VAL A 17 28.794 26.514 7.521 1.00 49.73 H new ATOM 0 HG23 VAL A 17 28.002 24.923 7.613 1.00 49.73 H new ATOM 285 N GLU A 18 29.492 22.464 6.480 1.00 49.53 N ATOM 286 CA GLU A 18 28.560 21.366 6.221 1.00 50.07 C ATOM 287 C GLU A 18 28.000 20.857 7.541 1.00 50.51 C ATOM 288 O GLU A 18 28.635 20.956 8.580 1.00 49.49 O ATOM 289 CB GLU A 18 29.254 20.232 5.463 1.00 49.82 C ATOM 290 CG GLU A 18 29.520 20.529 3.994 1.00 49.72 C ATOM 291 CD GLU A 18 30.168 19.357 3.309 1.00 50.62 C ATOM 292 OE1 GLU A 18 30.420 18.374 3.964 1.00 49.24 O ATOM 293 OE2 GLU A 18 30.311 19.400 2.110 1.00 49.24 O ATOM 0 H GLU A 18 30.189 22.246 7.192 1.00 49.53 H new ATOM 0 HA GLU A 18 27.743 21.734 5.600 1.00 50.07 H new ATOM 0 HB2 GLU A 18 30.202 20.010 5.954 1.00 49.82 H new ATOM 0 HB3 GLU A 18 28.640 19.334 5.534 1.00 49.82 H new ATOM 0 HG2 GLU A 18 28.582 20.772 3.494 1.00 49.72 H new ATOM 0 HG3 GLU A 18 30.164 21.405 3.908 1.00 49.72 H new ATOM 300 N PRO A 19 26.791 20.330 7.515 1.00 49.71 N ATOM 301 CA PRO A 19 26.153 19.759 8.703 1.00 50.02 C ATOM 302 C PRO A 19 27.010 18.699 9.348 1.00 50.51 C ATOM 303 O PRO A 19 26.868 18.385 10.538 1.00 49.49 O ATOM 304 CB PRO A 19 24.839 19.158 8.157 1.00 49.82 C ATOM 305 CG PRO A 19 24.536 20.032 6.985 1.00 49.82 C ATOM 306 CD PRO A 19 25.921 20.219 6.316 1.00 50.00 C ATOM 0 HA PRO A 19 25.991 20.502 9.483 1.00 50.02 H new ATOM 0 HB2 PRO A 19 24.963 18.116 7.863 1.00 49.82 H new ATOM 0 HB3 PRO A 19 24.042 19.187 8.900 1.00 49.82 H new ATOM 0 HG2 PRO A 19 23.821 19.564 6.308 1.00 49.82 H new ATOM 0 HG3 PRO A 19 24.106 20.985 7.294 1.00 49.82 H new ATOM 0 HD2 PRO A 19 26.193 19.374 5.684 1.00 50.00 H new ATOM 0 HD3 PRO A 19 25.962 21.111 5.691 1.00 50.00 H new ATOM 314 N SER A 20 27.886 18.082 8.573 1.00 49.53 N ATOM 315 CA SER A 20 28.724 16.997 9.109 1.00 50.07 C ATOM 316 C SER A 20 29.863 17.583 9.910 1.00 50.51 C ATOM 317 O SER A 20 30.579 16.805 10.565 1.00 49.49 O ATOM 318 CB SER A 20 29.250 16.129 7.983 1.00 50.05 C ATOM 319 OG SER A 20 28.260 15.285 7.461 1.00 49.34 O ATOM 0 H SER A 20 28.042 18.300 7.589 1.00 49.53 H new ATOM 0 HA SER A 20 28.120 16.369 9.764 1.00 50.07 H new ATOM 0 HB2 SER A 20 29.640 16.764 7.188 1.00 50.05 H new ATOM 0 HB3 SER A 20 30.083 15.528 8.348 1.00 50.05 H new ATOM 0 HG SER A 20 28.639 14.744 6.737 1.00 49.34 H new ATOM 325 N ASP A 21 30.108 18.884 9.742 1.00 49.53 N ATOM 326 CA ASP A 21 31.242 19.470 10.507 1.00 50.07 C ATOM 327 C ASP A 21 30.797 19.477 11.946 1.00 50.51 C ATOM 328 O ASP A 21 29.729 20.025 12.282 1.00 49.49 O ATOM 329 CB ASP A 21 31.568 20.885 10.022 1.00 49.72 C ATOM 330 CG ASP A 21 32.351 20.939 8.717 1.00 50.62 C ATOM 331 OD1 ASP A 21 33.333 20.245 8.608 1.00 49.24 O ATOM 332 OD2 ASP A 21 31.877 21.550 7.789 1.00 49.24 O ATOM 0 H ASP A 21 29.591 19.521 9.136 1.00 49.53 H new ATOM 0 HA ASP A 21 32.156 18.891 10.372 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.636 21.436 9.895 1.00 49.72 H new ATOM 0 HB3 ASP A 21 32.139 21.398 10.796 1.00 49.72 H new ATOM 337 N THR A 22 31.723 19.164 12.837 1.00 49.53 N ATOM 338 CA THR A 22 31.477 19.216 14.258 1.00 50.07 C ATOM 339 C THR A 22 31.586 20.716 14.619 1.00 50.51 C ATOM 340 O THR A 22 32.241 21.471 13.896 1.00 49.49 O ATOM 341 CB THR A 22 32.502 18.397 15.064 1.00 50.14 C ATOM 342 OG1 THR A 22 33.814 18.940 14.861 1.00 49.34 O ATOM 343 CG2 THR A 22 32.486 16.941 14.626 1.00 49.73 C ATOM 0 H THR A 22 32.667 18.867 12.589 1.00 49.53 H new ATOM 0 HA THR A 22 30.506 18.785 14.502 1.00 50.07 H new ATOM 0 HB THR A 22 32.238 18.449 16.120 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.486 18.290 15.154 1.00 49.34 H new ATOM 0 HG21 THR A 22 33.217 16.378 15.207 1.00 49.73 H new ATOM 0 HG22 THR A 22 31.493 16.523 14.790 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.737 16.877 13.567 1.00 49.73 H new ATOM 351 N ILE A 23 30.927 21.037 15.734 1.00 49.53 N ATOM 352 CA ILE A 23 30.992 22.389 16.280 1.00 50.07 C ATOM 353 C ILE A 23 32.494 22.599 16.482 1.00 50.51 C ATOM 354 O ILE A 23 33.036 23.705 16.312 1.00 49.49 O ATOM 355 CB ILE A 23 30.243 22.528 17.618 1.00 49.91 C ATOM 356 CG1 ILE A 23 28.730 22.493 17.390 1.00 49.82 C ATOM 357 CG2 ILE A 23 30.649 23.812 18.324 1.00 49.73 C ATOM 358 CD1 ILE A 23 28.222 23.603 16.497 1.00 49.73 C ATOM 0 H ILE A 23 30.350 20.387 16.269 1.00 49.53 H new ATOM 0 HA ILE A 23 30.520 23.120 15.624 1.00 50.07 H new ATOM 0 HB ILE A 23 30.514 21.686 18.255 1.00 49.91 H new ATOM 0 HG12 ILE A 23 28.460 21.533 16.950 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.225 22.555 18.354 1.00 49.82 H new ATOM 0 HG21 ILE A 23 30.110 23.894 19.268 1.00 49.73 H new ATOM 0 HG22 ILE A 23 31.721 23.797 18.519 1.00 49.73 H new ATOM 0 HG23 ILE A 23 30.407 24.667 17.692 1.00 49.73 H new ATOM 0 HD11 ILE A 23 27.142 23.512 16.382 1.00 49.73 H new ATOM 0 HD12 ILE A 23 28.459 24.568 16.945 1.00 49.73 H new ATOM 0 HD13 ILE A 23 28.698 23.530 15.519 1.00 49.73 H new ATOM 370 N GLU A 24 33.176 21.563 16.909 1.00 49.53 N ATOM 371 CA GLU A 24 34.666 21.651 17.073 1.00 50.07 C ATOM 372 C GLU A 24 35.363 22.090 15.810 1.00 50.51 C ATOM 373 O GLU A 24 36.499 22.622 15.846 1.00 49.49 O ATOM 374 CB GLU A 24 35.229 20.306 17.537 1.00 49.82 C ATOM 375 CG GLU A 24 36.733 20.300 17.772 1.00 49.72 C ATOM 376 CD GLU A 24 37.197 18.975 18.309 1.00 50.62 C ATOM 377 OE1 GLU A 24 36.941 17.977 17.679 1.00 49.24 O ATOM 378 OE2 GLU A 24 37.904 18.969 19.289 1.00 49.24 O ATOM 0 H GLU A 24 32.768 20.660 17.151 1.00 49.53 H new ATOM 0 HA GLU A 24 34.857 22.412 17.830 1.00 50.07 H new ATOM 0 HB2 GLU A 24 34.728 20.016 18.461 1.00 49.82 H new ATOM 0 HB3 GLU A 24 34.987 19.548 16.792 1.00 49.82 H new ATOM 0 HG2 GLU A 24 37.250 20.517 16.837 1.00 49.72 H new ATOM 0 HG3 GLU A 24 36.997 21.092 18.473 1.00 49.72 H new ATOM 385 N ASN A 25 34.736 21.846 14.671 1.00 49.53 N ATOM 386 CA ASN A 25 35.262 22.193 13.345 1.00 50.07 C ATOM 387 C ASN A 25 34.772 23.548 12.839 1.00 50.51 C ATOM 388 O ASN A 25 35.373 24.145 11.922 1.00 49.49 O ATOM 389 CB ASN A 25 34.936 21.115 12.327 1.00 49.82 C ATOM 390 CG ASN A 25 35.855 19.926 12.390 1.00 50.55 C ATOM 391 OD1 ASN A 25 36.969 20.004 12.920 1.00 49.45 O ATOM 392 ND2 ASN A 25 35.428 18.850 11.780 1.00 49.38 N ATOM 0 H ASN A 25 33.824 21.390 14.633 1.00 49.53 H new ATOM 0 HA ASN A 25 36.343 22.265 13.464 1.00 50.07 H new ATOM 0 HB2 ASN A 25 33.911 20.779 12.482 1.00 49.82 H new ATOM 0 HB3 ASN A 25 34.982 21.546 11.327 1.00 49.82 H new ATOM 0 HD21 ASN A 25 36.024 18.024 11.726 1.00 49.38 H new ATOM 0 HD22 ASN A 25 34.499 18.837 11.359 1.00 49.38 H new ATOM 399 N VAL A 26 33.669 23.982 13.434 1.00 49.53 N ATOM 400 CA VAL A 26 33.094 25.276 13.081 1.00 50.07 C ATOM 401 C VAL A 26 34.002 26.341 13.687 1.00 50.51 C ATOM 402 O VAL A 26 34.625 27.134 12.973 1.00 49.49 O ATOM 403 CB VAL A 26 31.660 25.441 13.619 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.126 26.828 13.293 1.00 49.73 C ATOM 405 CG2 VAL A 26 30.747 24.371 13.039 1.00 49.73 C ATOM 0 H VAL A 26 33.160 23.467 14.153 1.00 49.53 H new ATOM 0 HA VAL A 26 33.030 25.365 11.997 1.00 50.07 H new ATOM 0 HB VAL A 26 31.683 25.325 14.703 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.112 26.928 13.680 1.00 49.73 H new ATOM 0 HG12 VAL A 26 31.766 27.581 13.753 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.117 26.970 12.212 1.00 49.73 H new ATOM 0 HG21 VAL A 26 29.738 24.503 13.430 1.00 49.73 H new ATOM 0 HG22 VAL A 26 30.729 24.457 11.953 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.119 23.385 13.319 1.00 49.73 H new ATOM 415 N LYS A 27 34.100 26.331 15.011 1.00 49.53 N ATOM 416 CA LYS A 27 34.939 27.313 15.713 1.00 50.07 C ATOM 417 C LYS A 27 36.300 27.198 15.046 1.00 50.51 C ATOM 418 O LYS A 27 37.048 28.207 15.016 1.00 49.49 O ATOM 419 CB LYS A 27 35.026 27.007 17.209 1.00 49.82 C ATOM 420 CG LYS A 27 33.716 27.190 17.966 1.00 49.82 C ATOM 421 CD LYS A 27 33.950 27.264 19.467 1.00 49.82 C ATOM 422 CE LYS A 27 34.330 25.905 20.037 1.00 50.21 C ATOM 423 NZ LYS A 27 34.450 25.937 21.520 1.00 49.70 N ATOM 0 H LYS A 27 33.620 25.667 15.619 1.00 49.53 H new ATOM 0 HA LYS A 27 34.531 28.322 15.647 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.366 25.979 17.338 1.00 49.82 H new ATOM 0 HB3 LYS A 27 35.783 27.651 17.656 1.00 49.82 H new ATOM 0 HG2 LYS A 27 33.222 28.101 17.628 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.045 26.361 17.741 1.00 49.82 H new ATOM 0 HD2 LYS A 27 34.741 27.983 19.678 1.00 49.82 H new ATOM 0 HD3 LYS A 27 33.048 27.628 19.960 1.00 49.82 H new ATOM 0 HE2 LYS A 27 33.580 25.169 19.750 1.00 50.21 H new ATOM 0 HE3 LYS A 27 35.276 25.582 19.603 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 34.626 24.975 21.875 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 35.240 26.557 21.791 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 33.567 26.301 21.932 1.00 49.70 H new ATOM 437 N ALA A 28 36.657 26.025 14.566 1.00 49.53 N ATOM 438 CA ALA A 28 37.921 25.827 13.846 1.00 50.07 C ATOM 439 C ALA A 28 38.112 26.678 12.605 1.00 50.51 C ATOM 440 O ALA A 28 39.239 27.234 12.367 1.00 49.49 O ATOM 441 CB ALA A 28 38.081 24.339 13.482 1.00 49.73 C ATOM 0 H ALA A 28 36.092 25.181 14.657 1.00 49.53 H new ATOM 0 HA ALA A 28 38.695 26.158 14.538 1.00 50.07 H new ATOM 0 HB1 ALA A 28 39.020 24.194 12.948 1.00 49.73 H new ATOM 0 HB2 ALA A 28 38.086 23.740 14.393 1.00 49.73 H new ATOM 0 HB3 ALA A 28 37.251 24.028 12.848 1.00 49.73 H new ATOM 447 N LYS A 29 37.089 26.861 11.784 1.00 49.53 N ATOM 448 CA LYS A 29 37.185 27.747 10.607 1.00 50.07 C ATOM 449 C LYS A 29 37.494 29.181 11.076 1.00 50.51 C ATOM 450 O LYS A 29 38.452 29.855 10.625 1.00 49.49 O ATOM 451 CB LYS A 29 35.887 27.718 9.797 1.00 49.82 C ATOM 452 CG LYS A 29 36.042 28.153 8.346 1.00 49.82 C ATOM 453 CD LYS A 29 36.827 27.128 7.541 1.00 49.82 C ATOM 454 CE LYS A 29 36.038 25.838 7.367 1.00 50.21 C ATOM 455 NZ LYS A 29 36.805 24.816 6.604 1.00 49.70 N ATOM 0 H LYS A 29 36.180 26.414 11.901 1.00 49.53 H new ATOM 0 HA LYS A 29 37.989 27.395 9.961 1.00 50.07 H new ATOM 0 HB2 LYS A 29 35.482 26.706 9.819 1.00 49.82 H new ATOM 0 HB3 LYS A 29 35.156 28.365 10.282 1.00 49.82 H new ATOM 0 HG2 LYS A 29 35.058 28.293 7.899 1.00 49.82 H new ATOM 0 HG3 LYS A 29 36.550 29.116 8.306 1.00 49.82 H new ATOM 0 HD2 LYS A 29 37.072 27.541 6.563 1.00 49.82 H new ATOM 0 HD3 LYS A 29 37.771 26.914 8.042 1.00 49.82 H new ATOM 0 HE2 LYS A 29 35.776 25.438 8.346 1.00 50.21 H new ATOM 0 HE3 LYS A 29 35.103 26.052 6.849 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 36.233 23.953 6.508 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 37.034 25.187 5.660 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 37.685 24.593 7.111 1.00 49.70 H new ATOM 469 N ILE A 30 36.716 29.648 12.053 1.00 49.53 N ATOM 470 CA ILE A 30 36.936 31.011 12.570 1.00 50.07 C ATOM 471 C ILE A 30 38.376 31.112 13.091 1.00 50.51 C ATOM 472 O ILE A 30 39.021 32.174 12.928 1.00 49.49 O ATOM 473 CB ILE A 30 35.952 31.362 13.700 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.513 31.348 13.180 1.00 49.82 C ATOM 475 CG2 ILE A 30 36.292 32.718 14.299 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.469 31.259 14.270 1.00 49.73 C ATOM 0 H ILE A 30 35.954 29.131 12.492 1.00 49.53 H new ATOM 0 HA ILE A 30 36.768 31.719 11.758 1.00 50.07 H new ATOM 0 HB ILE A 30 36.041 30.609 14.483 1.00 49.91 H new ATOM 0 HG12 ILE A 30 34.339 32.252 12.597 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.390 30.503 12.503 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.586 32.951 15.097 1.00 49.73 H new ATOM 0 HG22 ILE A 30 37.303 32.693 14.705 1.00 49.73 H new ATOM 0 HG23 ILE A 30 36.230 33.483 13.525 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.475 31.254 13.822 1.00 49.73 H new ATOM 0 HD12 ILE A 30 33.615 30.341 14.840 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.563 32.118 14.935 1.00 49.73 H new ATOM 488 N GLN A 31 38.869 30.103 13.763 1.00 49.53 N ATOM 489 CA GLN A 31 40.278 30.197 14.260 1.00 50.07 C ATOM 490 C GLN A 31 41.235 30.618 13.132 1.00 50.51 C ATOM 491 O GLN A 31 41.999 31.611 13.156 1.00 49.49 O ATOM 492 CB GLN A 31 40.729 28.859 14.850 1.00 49.82 C ATOM 493 CG GLN A 31 42.140 28.873 15.416 1.00 49.82 C ATOM 494 CD GLN A 31 42.439 27.645 16.255 1.00 50.55 C ATOM 495 OE1 GLN A 31 41.616 26.732 16.359 1.00 49.45 O ATOM 496 NE2 GLN A 31 43.620 27.618 16.862 1.00 49.38 N ATOM 0 H GLN A 31 38.374 29.239 13.986 1.00 49.53 H new ATOM 0 HA GLN A 31 40.306 30.958 15.040 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.035 28.570 15.640 1.00 49.82 H new ATOM 0 HB3 GLN A 31 40.667 28.094 14.076 1.00 49.82 H new ATOM 0 HG2 GLN A 31 42.857 28.933 14.597 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.276 29.767 16.024 1.00 49.82 H new ATOM 0 HE21 GLN A 31 44.270 28.396 16.748 1.00 49.38 H new ATOM 0 HE22 GLN A 31 43.877 26.820 17.442 1.00 49.38 H new ATOM 505 N ASP A 32 41.128 29.883 12.051 1.00 49.53 N ATOM 506 CA ASP A 32 41.966 30.168 10.864 1.00 50.07 C ATOM 507 C ASP A 32 41.644 31.473 10.170 1.00 50.51 C ATOM 508 O ASP A 32 42.515 32.204 9.643 1.00 49.49 O ATOM 509 CB ASP A 32 41.860 29.018 9.859 1.00 49.72 C ATOM 510 CG ASP A 32 42.839 29.105 8.696 1.00 50.62 C ATOM 511 OD1 ASP A 32 44.022 29.075 8.938 1.00 49.24 O ATOM 512 OD2 ASP A 32 42.401 29.043 7.572 1.00 49.24 O ATOM 0 H ASP A 32 40.489 29.095 11.948 1.00 49.53 H new ATOM 0 HA ASP A 32 42.984 30.265 11.241 1.00 50.07 H new ATOM 0 HB2 ASP A 32 42.022 28.077 10.384 1.00 49.72 H new ATOM 0 HB3 ASP A 32 40.845 28.991 9.462 1.00 49.72 H new ATOM 517 N LYS A 33 40.348 31.834 10.101 1.00 49.53 N ATOM 518 CA LYS A 33 40.043 33.069 9.329 1.00 50.07 C ATOM 519 C LYS A 33 40.277 34.321 10.098 1.00 50.51 C ATOM 520 O LYS A 33 40.696 35.333 9.436 1.00 49.49 O ATOM 521 CB LYS A 33 38.599 33.034 8.829 1.00 49.82 C ATOM 522 CG LYS A 33 38.432 32.461 7.427 1.00 49.82 C ATOM 523 CD LYS A 33 38.924 31.023 7.354 1.00 49.82 C ATOM 524 CE LYS A 33 38.763 30.453 5.953 1.00 50.21 C ATOM 525 NZ LYS A 33 39.631 31.150 4.966 1.00 49.70 N ATOM 0 H LYS A 33 39.557 31.347 10.523 1.00 49.53 H new ATOM 0 HA LYS A 33 40.735 33.082 8.487 1.00 50.07 H new ATOM 0 HB2 LYS A 33 38.001 32.443 9.523 1.00 49.82 H new ATOM 0 HB3 LYS A 33 38.197 34.047 8.844 1.00 49.82 H new ATOM 0 HG2 LYS A 33 37.382 32.503 7.137 1.00 49.82 H new ATOM 0 HG3 LYS A 33 38.984 33.073 6.714 1.00 49.82 H new ATOM 0 HD2 LYS A 33 39.973 30.980 7.648 1.00 49.82 H new ATOM 0 HD3 LYS A 33 38.369 30.410 8.064 1.00 49.82 H new ATOM 0 HE2 LYS A 33 39.006 29.391 5.963 1.00 50.21 H new ATOM 0 HE3 LYS A 33 37.721 30.538 5.644 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 39.635 30.620 4.071 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 39.265 32.109 4.798 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 40.601 31.209 5.337 1.00 49.70 H new ATOM 539 N GLU A 34 40.173 34.389 11.395 1.00 49.53 N ATOM 540 CA GLU A 34 40.392 35.578 12.188 1.00 50.07 C ATOM 541 C GLU A 34 41.511 35.585 13.199 1.00 50.51 C ATOM 542 O GLU A 34 42.354 36.488 13.169 1.00 49.49 O ATOM 543 CB GLU A 34 39.091 35.953 12.901 1.00 49.82 C ATOM 544 CG GLU A 34 39.093 37.343 13.522 1.00 49.72 C ATOM 545 CD GLU A 34 37.759 37.670 14.132 1.00 50.62 C ATOM 546 OE1 GLU A 34 37.349 36.972 15.029 1.00 49.24 O ATOM 547 OE2 GLU A 34 37.199 38.682 13.781 1.00 49.24 O ATOM 0 H GLU A 34 39.921 33.579 11.962 1.00 49.53 H new ATOM 0 HA GLU A 34 40.721 36.303 11.444 1.00 50.07 H new ATOM 0 HB2 GLU A 34 38.269 35.888 12.189 1.00 49.82 H new ATOM 0 HB3 GLU A 34 38.895 35.219 13.683 1.00 49.82 H new ATOM 0 HG2 GLU A 34 39.869 37.401 14.286 1.00 49.72 H new ATOM 0 HG3 GLU A 34 39.339 38.083 12.761 1.00 49.72 H new ATOM 554 N GLY A 35 41.499 34.651 14.137 1.00 49.53 N ATOM 555 CA GLY A 35 42.548 34.510 15.111 1.00 49.98 C ATOM 556 C GLY A 35 42.122 34.142 16.477 1.00 50.51 C ATOM 557 O GLY A 35 42.872 34.383 17.458 1.00 49.49 O ATOM 0 H GLY A 35 40.749 33.967 14.237 1.00 49.53 H new ATOM 0 HA2 GLY A 35 43.248 33.754 14.755 1.00 49.98 H new ATOM 0 HA3 GLY A 35 43.095 35.451 15.164 1.00 49.98 H new ATOM 561 N ILE A 36 40.881 33.650 16.637 1.00 49.53 N ATOM 562 CA ILE A 36 40.438 33.271 17.988 1.00 50.07 C ATOM 563 C ILE A 36 40.406 31.779 18.272 1.00 50.51 C ATOM 564 O ILE A 36 39.698 31.016 17.589 1.00 49.49 O ATOM 565 CB ILE A 36 39.043 33.850 18.289 1.00 49.91 C ATOM 566 CG1 ILE A 36 39.042 35.368 18.094 1.00 49.82 C ATOM 567 CG2 ILE A 36 38.612 33.491 19.702 1.00 49.73 C ATOM 568 CD1 ILE A 36 37.697 36.014 18.335 1.00 49.73 C ATOM 0 H ILE A 36 40.199 33.511 15.891 1.00 49.53 H new ATOM 0 HA ILE A 36 41.201 33.696 18.641 1.00 50.07 H new ATOM 0 HB ILE A 36 38.328 33.413 17.592 1.00 49.91 H new ATOM 0 HG12 ILE A 36 39.774 35.812 18.769 1.00 49.82 H new ATOM 0 HG13 ILE A 36 39.366 35.595 17.078 1.00 49.82 H new ATOM 0 HG21 ILE A 36 37.624 33.908 19.898 1.00 49.73 H new ATOM 0 HG22 ILE A 36 38.576 32.407 19.807 1.00 49.73 H new ATOM 0 HG23 ILE A 36 39.327 33.901 20.416 1.00 49.73 H new ATOM 0 HD11 ILE A 36 37.777 37.090 18.178 1.00 49.73 H new ATOM 0 HD12 ILE A 36 36.965 35.599 17.642 1.00 49.73 H new ATOM 0 HD13 ILE A 36 37.378 35.820 19.359 1.00 49.73 H new ATOM 580 N PRO A 37 41.144 31.342 19.286 1.00 49.71 N ATOM 581 CA PRO A 37 41.185 29.930 19.703 1.00 50.02 C ATOM 582 C PRO A 37 39.795 29.423 20.038 1.00 50.51 C ATOM 583 O PRO A 37 39.054 30.147 20.754 1.00 49.49 O ATOM 584 CB PRO A 37 42.037 30.041 21.004 1.00 49.82 C ATOM 585 CG PRO A 37 42.956 31.193 20.722 1.00 49.82 C ATOM 586 CD PRO A 37 42.006 32.224 20.127 1.00 50.00 C ATOM 0 HA PRO A 37 41.574 29.249 18.947 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.413 30.229 21.878 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.592 29.123 21.200 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.439 31.559 21.628 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.749 30.920 20.026 1.00 49.82 H new ATOM 0 HD2 PRO A 37 41.437 32.754 20.891 1.00 50.00 H new ATOM 0 HD3 PRO A 37 42.528 32.978 19.538 1.00 50.00 H new ATOM 594 N PRO A 38 39.436 28.235 19.617 1.00 49.71 N ATOM 595 CA PRO A 38 38.092 27.711 19.906 1.00 50.02 C ATOM 596 C PRO A 38 37.772 27.659 21.376 1.00 50.51 C ATOM 597 O PRO A 38 36.601 27.830 21.811 1.00 49.49 O ATOM 598 CB PRO A 38 38.074 26.360 19.197 1.00 49.82 C ATOM 599 CG PRO A 38 39.049 26.564 18.041 1.00 49.82 C ATOM 600 CD PRO A 38 40.203 27.303 18.752 1.00 50.00 C ATOM 0 HA PRO A 38 37.297 28.362 19.542 1.00 50.02 H new ATOM 0 HB2 PRO A 38 38.394 25.554 19.857 1.00 49.82 H new ATOM 0 HB3 PRO A 38 37.076 26.104 18.842 1.00 49.82 H new ATOM 0 HG2 PRO A 38 39.372 25.620 17.603 1.00 49.82 H new ATOM 0 HG3 PRO A 38 38.615 27.156 17.236 1.00 49.82 H new ATOM 0 HD2 PRO A 38 40.835 26.627 19.329 1.00 50.00 H new ATOM 0 HD3 PRO A 38 40.853 27.828 18.052 1.00 50.00 H new ATOM 608 N ASP A 39 38.755 27.433 22.213 1.00 49.53 N ATOM 609 CA ASP A 39 38.510 27.312 23.675 1.00 50.07 C ATOM 610 C ASP A 39 37.932 28.607 24.231 1.00 50.51 C ATOM 611 O ASP A 39 36.970 28.630 25.048 1.00 49.49 O ATOM 612 CB ASP A 39 39.803 26.952 24.412 1.00 49.72 C ATOM 613 CG ASP A 39 40.172 25.476 24.346 1.00 50.62 C ATOM 614 OD1 ASP A 39 39.423 24.720 23.772 1.00 49.24 O ATOM 615 OD2 ASP A 39 41.267 25.140 24.730 1.00 49.24 O ATOM 0 H ASP A 39 39.731 27.326 21.935 1.00 49.53 H new ATOM 0 HA ASP A 39 37.787 26.512 23.832 1.00 50.07 H new ATOM 0 HB2 ASP A 39 40.621 27.538 23.993 1.00 49.72 H new ATOM 0 HB3 ASP A 39 39.705 27.243 25.458 1.00 49.72 H new ATOM 620 N GLN A 40 38.422 29.733 23.740 1.00 49.53 N ATOM 621 CA GLN A 40 37.889 31.034 24.211 1.00 50.07 C ATOM 622 C GLN A 40 36.551 31.489 23.601 1.00 50.51 C ATOM 623 O GLN A 40 35.999 32.483 24.058 1.00 49.49 O ATOM 624 CB GLN A 40 38.932 32.131 23.981 1.00 49.82 C ATOM 625 CG GLN A 40 40.278 31.858 24.631 1.00 49.82 C ATOM 626 CD GLN A 40 41.212 33.050 24.552 1.00 50.55 C ATOM 627 OE1 GLN A 40 40.854 34.102 24.016 1.00 49.45 O ATOM 628 NE2 GLN A 40 42.419 32.891 25.083 1.00 49.38 N ATOM 0 H GLN A 40 39.161 29.792 23.040 1.00 49.53 H new ATOM 0 HA GLN A 40 37.679 30.869 25.268 1.00 50.07 H new ATOM 0 HB2 GLN A 40 39.078 32.258 22.908 1.00 49.82 H new ATOM 0 HB3 GLN A 40 38.541 33.074 24.363 1.00 49.82 H new ATOM 0 HG2 GLN A 40 40.125 31.588 25.676 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.745 31.001 24.146 1.00 49.82 H new ATOM 0 HE21 GLN A 40 42.673 32.003 25.516 1.00 49.38 H new ATOM 0 HE22 GLN A 40 43.092 33.657 25.057 1.00 49.38 H new ATOM 637 N GLN A 41 36.049 30.775 22.619 1.00 49.53 N ATOM 638 CA GLN A 41 34.829 31.118 21.925 1.00 50.07 C ATOM 639 C GLN A 41 33.634 30.452 22.574 1.00 50.51 C ATOM 640 O GLN A 41 33.592 29.275 22.896 1.00 49.49 O ATOM 641 CB GLN A 41 34.916 30.708 20.453 1.00 49.82 C ATOM 642 CG GLN A 41 35.925 31.503 19.643 1.00 49.82 C ATOM 643 CD GLN A 41 35.935 31.107 18.179 1.00 50.55 C ATOM 644 OE1 GLN A 41 35.096 31.559 17.394 1.00 49.45 O ATOM 645 NE2 GLN A 41 36.882 30.255 17.802 1.00 49.38 N ATOM 0 H GLN A 41 36.487 29.921 22.273 1.00 49.53 H new ATOM 0 HA GLN A 41 34.701 32.199 21.985 1.00 50.07 H new ATOM 0 HB2 GLN A 41 35.174 29.651 20.397 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.932 30.820 19.998 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.697 32.566 19.727 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.920 31.356 20.063 1.00 49.82 H new ATOM 0 HE21 GLN A 41 37.555 29.906 18.484 1.00 49.38 H new ATOM 0 HE22 GLN A 41 36.936 29.949 16.830 1.00 49.38 H new ATOM 654 N ARG A 42 32.531 31.197 22.599 1.00 49.53 N ATOM 655 CA ARG A 42 31.219 30.630 23.044 1.00 50.07 C ATOM 656 C ARG A 42 30.130 30.746 22.001 1.00 50.51 C ATOM 657 O ARG A 42 29.931 31.923 21.496 1.00 49.49 O ATOM 658 CB ARG A 42 30.770 31.223 24.371 1.00 49.82 C ATOM 659 CG ARG A 42 31.458 30.642 25.597 1.00 49.82 C ATOM 660 CD ARG A 42 30.856 31.054 26.890 1.00 50.20 C ATOM 661 NE ARG A 42 29.510 30.553 27.115 1.00 49.30 N ATOM 662 CZ ARG A 42 28.715 30.925 28.137 1.00 50.64 C ATOM 663 NH1 ARG A 42 29.138 31.769 29.051 1.00 49.20 N ATOM 664 NH2 ARG A 42 27.505 30.398 28.211 1.00 49.20 N ATOM 0 H ARG A 42 32.498 32.179 22.326 1.00 49.53 H new ATOM 0 HA ARG A 42 31.394 29.564 23.189 1.00 50.07 H new ATOM 0 HB2 ARG A 42 30.945 32.299 24.350 1.00 49.82 H new ATOM 0 HB3 ARG A 42 29.695 31.077 24.472 1.00 49.82 H new ATOM 0 HG2 ARG A 42 31.436 29.554 25.530 1.00 49.82 H new ATOM 0 HG3 ARG A 42 32.506 30.941 25.586 1.00 49.82 H new ATOM 0 HD2 ARG A 42 31.498 30.711 27.701 1.00 50.20 H new ATOM 0 HD3 ARG A 42 30.837 32.143 26.937 1.00 50.20 H new ATOM 0 HE ARG A 42 29.141 29.871 26.452 1.00 49.30 H new ATOM 0 HH11 ARG A 42 30.081 32.153 28.993 1.00 49.20 H new ATOM 0 HH12 ARG A 42 28.523 32.040 29.818 1.00 49.20 H new ATOM 0 HH21 ARG A 42 27.196 29.729 27.506 1.00 49.20 H new ATOM 0 HH22 ARG A 42 26.880 30.660 28.973 1.00 49.20 H new ATOM 678 N LEU A 43 29.492 29.650 21.596 1.00 49.53 N ATOM 679 CA LEU A 43 28.456 29.715 20.534 1.00 50.07 C ATOM 680 C LEU A 43 27.072 29.484 21.132 1.00 50.51 C ATOM 681 O LEU A 43 26.852 28.427 21.740 1.00 49.49 O ATOM 682 CB LEU A 43 28.747 28.683 19.438 1.00 49.82 C ATOM 683 CG LEU A 43 30.168 28.729 18.859 1.00 49.91 C ATOM 684 CD1 LEU A 43 30.356 27.606 17.848 1.00 49.73 C ATOM 685 CD2 LEU A 43 30.409 30.085 18.211 1.00 49.73 C ATOM 0 H LEU A 43 29.660 28.716 21.971 1.00 49.53 H new ATOM 0 HA LEU A 43 28.479 30.708 20.085 1.00 50.07 H new ATOM 0 HB2 LEU A 43 28.569 27.687 19.843 1.00 49.82 H new ATOM 0 HB3 LEU A 43 28.036 28.829 18.625 1.00 49.82 H new ATOM 0 HG LEU A 43 30.893 28.590 19.661 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.367 27.647 17.443 1.00 49.73 H new ATOM 0 HD12 LEU A 43 30.200 26.645 18.338 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.636 27.721 17.038 1.00 49.73 H new ATOM 0 HD21 LEU A 43 31.418 30.118 17.800 1.00 49.73 H new ATOM 0 HD22 LEU A 43 29.686 30.239 17.410 1.00 49.73 H new ATOM 0 HD23 LEU A 43 30.296 30.871 18.958 1.00 49.73 H new ATOM 697 N ILE A 44 26.219 30.498 21.028 1.00 49.53 N ATOM 698 CA ILE A 44 24.874 30.465 21.589 1.00 50.07 C ATOM 699 C ILE A 44 23.823 30.606 20.495 1.00 50.51 C ATOM 700 O ILE A 44 23.709 31.614 19.828 1.00 49.49 O ATOM 701 CB ILE A 44 24.667 31.579 22.633 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.565 31.342 23.850 1.00 49.82 C ATOM 703 CG2 ILE A 44 23.207 31.652 23.051 1.00 49.73 C ATOM 704 CD1 ILE A 44 25.393 29.979 24.481 1.00 49.73 C ATOM 0 H ILE A 44 26.443 31.370 20.549 1.00 49.53 H new ATOM 0 HA ILE A 44 24.760 29.498 22.079 1.00 50.07 H new ATOM 0 HB ILE A 44 24.942 32.533 22.182 1.00 49.91 H new ATOM 0 HG12 ILE A 44 26.606 31.464 23.551 1.00 49.82 H new ATOM 0 HG13 ILE A 44 25.356 32.107 24.598 1.00 49.82 H new ATOM 0 HG21 ILE A 44 23.079 32.444 23.789 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.589 31.865 22.179 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.905 30.699 23.486 1.00 49.73 H new ATOM 0 HD11 ILE A 44 26.062 29.887 25.336 1.00 49.73 H new ATOM 0 HD12 ILE A 44 24.362 29.859 24.813 1.00 49.73 H new ATOM 0 HD13 ILE A 44 25.631 29.207 23.749 1.00 49.73 H new ATOM 716 N PHE A 45 23.010 29.525 20.350 1.00 49.53 N ATOM 717 CA PHE A 45 21.908 29.515 19.374 1.00 50.07 C ATOM 718 C PHE A 45 20.689 28.849 20.039 1.00 50.51 C ATOM 719 O PHE A 45 20.751 27.738 20.566 1.00 49.49 O ATOM 720 CB PHE A 45 22.311 28.762 18.105 1.00 49.82 C ATOM 721 CG PHE A 45 21.384 28.992 16.944 1.00 50.00 C ATOM 722 CD1 PHE A 45 21.468 30.154 16.192 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.427 28.048 16.605 1.00 49.88 C ATOM 724 CE1 PHE A 45 20.617 30.367 15.124 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.575 28.258 15.537 1.00 49.88 C ATOM 726 CZ PHE A 45 19.670 29.419 14.797 1.00 49.88 C ATOM 0 H PHE A 45 23.102 28.666 20.892 1.00 49.53 H new ATOM 0 HA PHE A 45 21.663 30.535 19.079 1.00 50.07 H new ATOM 0 HB2 PHE A 45 23.319 29.064 17.819 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.348 27.695 18.323 1.00 49.82 H new ATOM 0 HD1 PHE A 45 22.207 30.901 16.444 1.00 49.88 H new ATOM 0 HD2 PHE A 45 20.346 27.138 17.182 1.00 49.88 H new ATOM 0 HE1 PHE A 45 20.694 31.276 14.545 1.00 49.88 H new ATOM 0 HE2 PHE A 45 18.835 27.514 15.282 1.00 49.88 H new ATOM 0 HZ PHE A 45 19.004 29.585 13.963 1.00 49.88 H new ATOM 736 N ALA A 46 19.637 29.630 20.039 1.00 49.53 N ATOM 737 CA ALA A 46 18.321 29.215 20.566 1.00 50.07 C ATOM 738 C ALA A 46 18.307 29.053 22.078 1.00 50.51 C ATOM 739 O ALA A 46 17.524 28.276 22.645 1.00 49.49 O ATOM 740 CB ALA A 46 17.882 27.946 19.907 1.00 49.73 C ATOM 0 H ALA A 46 19.650 30.583 19.675 1.00 49.53 H new ATOM 0 HA ALA A 46 17.621 30.017 20.332 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.911 27.648 20.302 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.804 28.103 18.831 1.00 49.73 H new ATOM 0 HB3 ALA A 46 18.611 27.161 20.107 1.00 49.73 H new ATOM 746 N GLY A 47 19.223 29.737 22.698 1.00 49.53 N ATOM 747 CA GLY A 47 19.487 29.801 24.105 1.00 49.98 C ATOM 748 C GLY A 47 20.124 28.597 24.749 1.00 50.51 C ATOM 749 O GLY A 47 20.184 28.523 25.997 1.00 49.49 O ATOM 0 H GLY A 47 19.871 30.325 22.175 1.00 49.53 H new ATOM 0 HA2 GLY A 47 20.132 30.661 24.287 1.00 49.98 H new ATOM 0 HA3 GLY A 47 18.544 29.996 24.616 1.00 49.98 H new ATOM 753 N LYS A 48 20.645 27.687 23.972 1.00 49.53 N ATOM 754 CA LYS A 48 21.334 26.500 24.496 1.00 50.07 C ATOM 755 C LYS A 48 22.801 26.795 24.130 1.00 50.51 C ATOM 756 O LYS A 48 23.025 27.642 23.278 1.00 49.49 O ATOM 757 CB LYS A 48 20.833 25.215 23.835 1.00 49.82 C ATOM 758 CG LYS A 48 19.387 24.864 24.157 1.00 49.82 C ATOM 759 CD LYS A 48 18.994 23.527 23.549 1.00 49.82 C ATOM 760 CE LYS A 48 17.540 23.188 23.847 1.00 50.21 C ATOM 761 NZ LYS A 48 16.600 24.093 23.130 1.00 49.70 N ATOM 0 H LYS A 48 20.613 27.732 22.953 1.00 49.53 H new ATOM 0 HA LYS A 48 21.172 26.335 25.561 1.00 50.07 H new ATOM 0 HB2 LYS A 48 20.939 25.312 22.754 1.00 49.82 H new ATOM 0 HB3 LYS A 48 21.472 24.388 24.145 1.00 49.82 H new ATOM 0 HG2 LYS A 48 19.251 24.828 25.238 1.00 49.82 H new ATOM 0 HG3 LYS A 48 18.728 25.646 23.779 1.00 49.82 H new ATOM 0 HD2 LYS A 48 19.149 23.556 22.470 1.00 49.82 H new ATOM 0 HD3 LYS A 48 19.640 22.742 23.943 1.00 49.82 H new ATOM 0 HE2 LYS A 48 17.341 22.156 23.558 1.00 50.21 H new ATOM 0 HE3 LYS A 48 17.364 23.258 24.920 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 15.628 23.738 23.236 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 16.665 25.050 23.532 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 16.850 24.124 22.121 1.00 49.70 H new ATOM 775 N GLN A 49 23.730 26.111 24.740 1.00 49.53 N ATOM 776 CA GLN A 49 25.157 26.266 24.343 1.00 50.07 C ATOM 777 C GLN A 49 25.603 25.104 23.459 1.00 50.51 C ATOM 778 O GLN A 49 25.408 23.929 23.868 1.00 49.49 O ATOM 779 CB GLN A 49 26.054 26.350 25.581 1.00 49.82 C ATOM 780 CG GLN A 49 27.482 26.779 25.288 1.00 49.82 C ATOM 781 CD GLN A 49 28.357 26.764 26.527 1.00 50.55 C ATOM 782 OE1 GLN A 49 28.234 27.626 27.402 1.00 49.45 O ATOM 783 NE2 GLN A 49 29.250 25.784 26.607 1.00 49.38 N ATOM 0 H GLN A 49 23.561 25.450 25.498 1.00 49.53 H new ATOM 0 HA GLN A 49 25.249 27.192 23.776 1.00 50.07 H new ATOM 0 HB2 GLN A 49 25.613 27.053 26.288 1.00 49.82 H new ATOM 0 HB3 GLN A 49 26.072 25.376 26.069 1.00 49.82 H new ATOM 0 HG2 GLN A 49 27.910 26.116 24.536 1.00 49.82 H new ATOM 0 HG3 GLN A 49 27.477 27.783 24.863 1.00 49.82 H new ATOM 0 HE21 GLN A 49 29.317 25.093 25.860 1.00 49.38 H new ATOM 0 HE22 GLN A 49 29.869 25.723 27.415 1.00 49.38 H new ATOM 792 N LEU A 50 26.149 25.387 22.302 1.00 49.53 N ATOM 793 CA LEU A 50 26.534 24.345 21.335 1.00 50.07 C ATOM 794 C LEU A 50 27.682 23.405 21.658 1.00 50.51 C ATOM 795 O LEU A 50 28.813 23.842 21.571 1.00 49.49 O ATOM 796 CB LEU A 50 26.811 25.008 19.979 1.00 49.82 C ATOM 797 CG LEU A 50 25.644 25.816 19.397 1.00 49.91 C ATOM 798 CD1 LEU A 50 26.075 26.497 18.105 1.00 49.73 C ATOM 799 CD2 LEU A 50 24.460 24.893 19.152 1.00 49.73 C ATOM 0 H LEU A 50 26.346 26.338 21.989 1.00 49.53 H new ATOM 0 HA LEU A 50 25.671 23.680 21.353 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.672 25.668 20.084 1.00 49.82 H new ATOM 0 HB3 LEU A 50 27.088 24.234 19.264 1.00 49.82 H new ATOM 0 HG LEU A 50 25.345 26.588 20.106 1.00 49.91 H new ATOM 0 HD11 LEU A 50 25.240 27.068 17.699 1.00 49.73 H new ATOM 0 HD12 LEU A 50 26.909 27.168 18.308 1.00 49.73 H new ATOM 0 HD13 LEU A 50 26.384 25.743 17.382 1.00 49.73 H new ATOM 0 HD21 LEU A 50 23.631 25.467 18.738 1.00 49.73 H new ATOM 0 HD22 LEU A 50 24.747 24.112 18.448 1.00 49.73 H new ATOM 0 HD23 LEU A 50 24.152 24.438 20.094 1.00 49.73 H new ATOM 811 N GLU A 51 27.383 22.120 21.860 1.00 49.53 N ATOM 812 CA GLU A 51 28.438 21.152 22.229 1.00 50.07 C ATOM 813 C GLU A 51 29.450 20.950 21.136 1.00 50.51 C ATOM 814 O GLU A 51 29.061 20.792 19.981 1.00 49.49 O ATOM 815 CB GLU A 51 27.813 19.810 22.612 1.00 49.82 C ATOM 816 CG GLU A 51 28.818 18.688 22.831 1.00 49.72 C ATOM 817 CD GLU A 51 29.657 18.936 24.053 1.00 50.62 C ATOM 818 OE1 GLU A 51 29.096 19.131 25.105 1.00 49.24 O ATOM 819 OE2 GLU A 51 30.857 18.821 23.959 1.00 49.24 O ATOM 0 H GLU A 51 26.446 21.725 21.779 1.00 49.53 H new ATOM 0 HA GLU A 51 28.967 21.573 23.084 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.229 19.942 23.523 1.00 49.82 H new ATOM 0 HB3 GLU A 51 27.117 19.510 21.828 1.00 49.82 H new ATOM 0 HG2 GLU A 51 28.290 17.740 22.936 1.00 49.72 H new ATOM 0 HG3 GLU A 51 29.463 18.599 21.957 1.00 49.72 H new ATOM 826 N ASP A 52 30.728 20.941 21.427 1.00 49.53 N ATOM 827 CA ASP A 52 31.828 20.843 20.474 1.00 50.07 C ATOM 828 C ASP A 52 31.772 19.440 19.895 1.00 50.51 C ATOM 829 O ASP A 52 32.125 19.268 18.693 1.00 49.49 O ATOM 830 CB ASP A 52 33.175 21.100 21.154 1.00 49.72 C ATOM 831 CG ASP A 52 33.503 22.573 21.364 1.00 50.62 C ATOM 832 OD1 ASP A 52 32.710 23.398 20.977 1.00 49.24 O ATOM 833 OD2 ASP A 52 34.458 22.857 22.046 1.00 49.24 O ATOM 0 H ASP A 52 31.057 21.005 22.390 1.00 49.53 H new ATOM 0 HA ASP A 52 31.731 21.595 19.691 1.00 50.07 H new ATOM 0 HB2 ASP A 52 33.182 20.597 22.121 1.00 49.72 H new ATOM 0 HB3 ASP A 52 33.964 20.647 20.554 1.00 49.72 H new ATOM 838 N GLY A 53 31.449 18.455 20.703 1.00 49.53 N ATOM 839 CA GLY A 53 31.408 17.035 20.310 1.00 49.98 C ATOM 840 C GLY A 53 30.291 16.709 19.374 1.00 50.51 C ATOM 841 O GLY A 53 30.336 15.686 18.653 1.00 49.49 O ATOM 0 H GLY A 53 31.199 18.607 21.680 1.00 49.53 H new ATOM 0 HA2 GLY A 53 32.355 16.769 19.840 1.00 49.98 H new ATOM 0 HA3 GLY A 53 31.312 16.421 21.205 1.00 49.98 H new ATOM 845 N ARG A 54 29.218 17.490 19.349 1.00 49.53 N ATOM 846 CA ARG A 54 28.109 17.277 18.397 1.00 50.07 C ATOM 847 C ARG A 54 28.395 17.965 17.071 1.00 50.51 C ATOM 848 O ARG A 54 29.302 18.820 16.982 1.00 49.49 O ATOM 849 CB ARG A 54 26.766 17.705 18.972 1.00 49.82 C ATOM 850 CG ARG A 54 26.327 16.941 20.209 1.00 49.82 C ATOM 851 CD ARG A 54 25.720 15.615 19.927 1.00 50.20 C ATOM 852 NE ARG A 54 25.171 14.943 21.094 1.00 49.30 N ATOM 853 CZ ARG A 54 25.887 14.182 21.945 1.00 50.64 C ATOM 854 NH1 ARG A 54 27.168 13.963 21.745 1.00 49.20 N ATOM 855 NH2 ARG A 54 25.261 13.641 22.975 1.00 49.20 N ATOM 0 H ARG A 54 29.082 18.283 19.976 1.00 49.53 H new ATOM 0 HA ARG A 54 28.040 16.205 18.213 1.00 50.07 H new ATOM 0 HB2 ARG A 54 26.813 18.766 19.216 1.00 49.82 H new ATOM 0 HB3 ARG A 54 26.004 17.589 18.202 1.00 49.82 H new ATOM 0 HG2 ARG A 54 27.190 16.801 20.860 1.00 49.82 H new ATOM 0 HG3 ARG A 54 25.607 17.547 20.759 1.00 49.82 H new ATOM 0 HD2 ARG A 54 24.927 15.742 19.190 1.00 50.20 H new ATOM 0 HD3 ARG A 54 26.476 14.972 19.475 1.00 50.20 H new ATOM 0 HE ARG A 54 24.175 15.056 21.281 1.00 49.30 H new ATOM 0 HH11 ARG A 54 27.635 14.372 20.936 1.00 49.20 H new ATOM 0 HH12 ARG A 54 27.695 13.384 22.399 1.00 49.20 H new ATOM 0 HH21 ARG A 54 24.263 13.804 23.108 1.00 49.20 H new ATOM 0 HH22 ARG A 54 25.776 13.060 23.637 1.00 49.20 H new ATOM 869 N THR A 55 27.590 17.683 16.077 1.00 49.53 N ATOM 870 CA THR A 55 27.678 18.303 14.736 1.00 50.07 C ATOM 871 C THR A 55 26.514 19.271 14.419 1.00 50.51 C ATOM 872 O THR A 55 25.437 19.153 14.992 1.00 49.49 O ATOM 873 CB THR A 55 27.739 17.231 13.632 1.00 50.14 C ATOM 874 OG1 THR A 55 26.450 16.622 13.482 1.00 49.34 O ATOM 875 CG2 THR A 55 28.762 16.162 13.983 1.00 49.73 C ATOM 0 H THR A 55 26.832 17.005 16.158 1.00 49.53 H new ATOM 0 HA THR A 55 28.599 18.886 14.755 1.00 50.07 H new ATOM 0 HB THR A 55 28.034 17.709 12.698 1.00 50.14 H new ATOM 0 HG1 THR A 55 26.086 16.406 14.366 1.00 49.34 H new ATOM 0 HG21 THR A 55 28.792 15.413 13.192 1.00 49.73 H new ATOM 0 HG22 THR A 55 29.746 16.620 14.086 1.00 49.73 H new ATOM 0 HG23 THR A 55 28.483 15.686 14.923 1.00 49.73 H new ATOM 883 N LEU A 56 26.752 20.151 13.468 1.00 49.53 N ATOM 884 CA LEU A 56 25.730 21.105 13.003 1.00 50.07 C ATOM 885 C LEU A 56 24.471 20.332 12.624 1.00 50.51 C ATOM 886 O LEU A 56 23.402 20.802 12.907 1.00 49.49 O ATOM 887 CB LEU A 56 26.251 21.916 11.809 1.00 49.82 C ATOM 888 CG LEU A 56 27.490 22.775 12.095 1.00 49.91 C ATOM 889 CD1 LEU A 56 28.124 23.228 10.787 1.00 49.73 C ATOM 890 CD2 LEU A 56 27.092 23.972 12.945 1.00 49.73 C ATOM 0 H LEU A 56 27.649 20.236 12.990 1.00 49.53 H new ATOM 0 HA LEU A 56 25.497 21.808 13.802 1.00 50.07 H new ATOM 0 HB2 LEU A 56 26.485 21.228 10.997 1.00 49.82 H new ATOM 0 HB3 LEU A 56 25.451 22.566 11.455 1.00 49.82 H new ATOM 0 HG LEU A 56 28.224 22.185 12.643 1.00 49.91 H new ATOM 0 HD11 LEU A 56 29.002 23.837 11.000 1.00 49.73 H new ATOM 0 HD12 LEU A 56 28.420 22.355 10.205 1.00 49.73 H new ATOM 0 HD13 LEU A 56 27.404 23.816 10.218 1.00 49.73 H new ATOM 0 HD21 LEU A 56 27.972 24.582 13.148 1.00 49.73 H new ATOM 0 HD22 LEU A 56 26.352 24.568 12.410 1.00 49.73 H new ATOM 0 HD23 LEU A 56 26.666 23.624 13.886 1.00 49.73 H new ATOM 902 N SER A 57 24.636 19.102 12.095 1.00 49.53 N ATOM 903 CA SER A 57 23.412 18.354 11.714 1.00 50.07 C ATOM 904 C SER A 57 22.648 17.886 12.933 1.00 50.51 C ATOM 905 O SER A 57 21.385 17.773 12.892 1.00 49.49 O ATOM 906 CB SER A 57 23.776 17.172 10.836 1.00 50.05 C ATOM 907 OG SER A 57 24.715 16.330 11.448 1.00 49.34 O ATOM 0 H SER A 57 25.526 18.632 11.930 1.00 49.53 H new ATOM 0 HA SER A 57 22.765 19.030 11.155 1.00 50.07 H new ATOM 0 HB2 SER A 57 22.876 16.603 10.604 1.00 50.05 H new ATOM 0 HB3 SER A 57 24.177 17.534 9.889 1.00 50.05 H new ATOM 0 HG SER A 57 25.084 16.773 12.241 1.00 49.34 H new ATOM 913 N ASP A 58 23.348 17.650 14.029 1.00 49.53 N ATOM 914 CA ASP A 58 22.695 17.193 15.283 1.00 50.07 C ATOM 915 C ASP A 58 21.679 18.202 15.826 1.00 50.51 C ATOM 916 O ASP A 58 20.904 17.931 16.748 1.00 49.49 O ATOM 917 CB ASP A 58 23.752 16.895 16.352 1.00 49.72 C ATOM 918 CG ASP A 58 24.476 15.568 16.167 1.00 50.62 C ATOM 919 OD1 ASP A 58 23.828 14.549 16.206 1.00 49.24 O ATOM 920 OD2 ASP A 58 25.637 15.590 15.833 1.00 49.24 O ATOM 0 H ASP A 58 24.360 17.760 14.095 1.00 49.53 H new ATOM 0 HA ASP A 58 22.146 16.284 15.038 1.00 50.07 H new ATOM 0 HB2 ASP A 58 24.488 17.699 16.353 1.00 49.72 H new ATOM 0 HB3 ASP A 58 23.273 16.900 17.331 1.00 49.72 H new ATOM 925 N TYR A 59 21.830 19.421 15.396 1.00 49.53 N ATOM 926 CA TYR A 59 20.963 20.537 15.774 1.00 50.07 C ATOM 927 C TYR A 59 20.036 20.965 14.658 1.00 50.51 C ATOM 928 O TYR A 59 19.083 21.713 14.949 1.00 49.49 O ATOM 929 CB TYR A 59 21.807 21.730 16.231 1.00 49.82 C ATOM 930 CG TYR A 59 22.684 21.437 17.428 1.00 50.00 C ATOM 931 CD1 TYR A 59 22.156 21.428 18.710 1.00 49.88 C ATOM 932 CD2 TYR A 59 24.037 21.175 17.272 1.00 49.88 C ATOM 933 CE1 TYR A 59 22.952 21.162 19.807 1.00 49.88 C ATOM 934 CE2 TYR A 59 24.843 20.906 18.363 1.00 49.88 C ATOM 935 CZ TYR A 59 24.295 20.902 19.630 1.00 50.11 C ATOM 936 OH TYR A 59 25.093 20.637 20.719 1.00 49.46 O ATOM 0 H TYR A 59 22.576 19.690 14.754 1.00 49.53 H new ATOM 0 HA TYR A 59 20.338 20.185 16.595 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.436 22.056 15.403 1.00 49.82 H new ATOM 0 HB3 TYR A 59 21.144 22.560 16.473 1.00 49.82 H new ATOM 0 HD1 TYR A 59 21.105 21.632 18.853 1.00 49.88 H new ATOM 0 HD2 TYR A 59 24.468 21.181 16.282 1.00 49.88 H new ATOM 0 HE1 TYR A 59 22.525 21.158 20.799 1.00 49.88 H new ATOM 0 HE2 TYR A 59 25.894 20.700 18.225 1.00 49.88 H new ATOM 0 HH TYR A 59 25.096 19.673 20.895 1.00 49.46 H new ATOM 946 N ASN A 60 20.213 20.551 13.421 1.00 49.53 N ATOM 947 CA ASN A 60 19.281 20.992 12.363 1.00 50.07 C ATOM 948 C ASN A 60 19.698 22.400 11.958 1.00 50.51 C ATOM 949 O ASN A 60 18.899 23.174 11.394 1.00 49.49 O ATOM 950 CB ASN A 60 17.837 20.964 12.827 1.00 49.82 C ATOM 951 CG ASN A 60 17.297 19.579 13.049 1.00 50.55 C ATOM 952 OD1 ASN A 60 17.752 18.609 12.432 1.00 49.45 O ATOM 953 ND2 ASN A 60 16.278 19.493 13.864 1.00 49.38 N ATOM 0 H ASN A 60 20.962 19.931 13.113 1.00 49.53 H new ATOM 0 HA ASN A 60 19.334 20.310 11.514 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.752 21.530 13.755 1.00 49.82 H new ATOM 0 HB3 ASN A 60 17.218 21.471 12.087 1.00 49.82 H new ATOM 0 HD21 ASN A 60 15.820 18.594 14.015 1.00 49.38 H new ATOM 0 HD22 ASN A 60 15.941 20.325 14.349 1.00 49.38 H new ATOM 960 N ILE A 61 20.957 22.731 12.162 1.00 49.53 N ATOM 961 CA ILE A 61 21.495 24.052 11.719 1.00 50.07 C ATOM 962 C ILE A 61 21.276 24.130 10.211 1.00 50.51 C ATOM 963 O ILE A 61 21.855 23.229 9.535 1.00 49.49 O ATOM 964 CB ILE A 61 22.992 24.209 12.040 1.00 49.91 C ATOM 965 CG1 ILE A 61 23.219 24.181 13.553 1.00 49.82 C ATOM 966 CG2 ILE A 61 23.533 25.498 11.440 1.00 49.73 C ATOM 967 CD1 ILE A 61 22.698 25.405 14.272 1.00 49.73 C ATOM 0 H ILE A 61 21.639 22.129 12.624 1.00 49.53 H new ATOM 0 HA ILE A 61 20.981 24.854 12.249 1.00 50.07 H new ATOM 0 HB ILE A 61 23.531 23.372 11.596 1.00 49.91 H new ATOM 0 HG12 ILE A 61 22.737 23.295 13.967 1.00 49.82 H new ATOM 0 HG13 ILE A 61 24.287 24.083 13.749 1.00 49.82 H new ATOM 0 HG21 ILE A 61 24.593 25.593 11.677 1.00 49.73 H new ATOM 0 HG22 ILE A 61 23.403 25.478 10.358 1.00 49.73 H new ATOM 0 HG23 ILE A 61 22.991 26.348 11.855 1.00 49.73 H new ATOM 0 HD11 ILE A 61 22.896 25.311 15.340 1.00 49.73 H new ATOM 0 HD12 ILE A 61 23.198 26.294 13.887 1.00 49.73 H new ATOM 0 HD13 ILE A 61 21.624 25.494 14.108 1.00 49.73 H new ATOM 979 N GLN A 62 20.516 25.076 9.737 1.00 49.53 N ATOM 980 CA GLN A 62 20.173 25.213 8.291 1.00 50.07 C ATOM 981 C GLN A 62 20.764 26.405 7.534 1.00 50.51 C ATOM 982 O GLN A 62 21.668 27.080 8.056 1.00 49.49 O ATOM 983 CB GLN A 62 18.651 25.242 8.128 1.00 49.82 C ATOM 984 CG GLN A 62 17.944 24.008 8.663 1.00 49.82 C ATOM 985 CD GLN A 62 18.172 22.787 7.791 1.00 50.55 C ATOM 986 OE1 GLN A 62 18.613 21.739 8.270 1.00 49.45 O ATOM 987 NE2 GLN A 62 17.877 22.919 6.503 1.00 49.38 N ATOM 0 H GLN A 62 20.097 25.797 10.324 1.00 49.53 H new ATOM 0 HA GLN A 62 20.641 24.340 7.836 1.00 50.07 H new ATOM 0 HB2 GLN A 62 18.259 26.122 8.638 1.00 49.82 H new ATOM 0 HB3 GLN A 62 18.412 25.354 7.070 1.00 49.82 H new ATOM 0 HG2 GLN A 62 18.296 23.800 9.673 1.00 49.82 H new ATOM 0 HG3 GLN A 62 16.875 24.207 8.733 1.00 49.82 H new ATOM 0 HE21 GLN A 62 17.514 23.805 6.151 1.00 49.38 H new ATOM 0 HE22 GLN A 62 18.013 22.134 5.866 1.00 49.38 H new ATOM 996 N LYS A 63 20.293 26.657 6.314 1.00 49.53 N ATOM 997 CA LYS A 63 20.817 27.715 5.478 1.00 50.07 C ATOM 998 C LYS A 63 20.519 29.173 5.816 1.00 50.51 C ATOM 999 O LYS A 63 19.396 29.588 6.058 1.00 49.49 O ATOM 1000 CB LYS A 63 20.395 27.461 4.031 1.00 49.82 C ATOM 1001 CG LYS A 63 21.220 28.212 2.994 1.00 49.82 C ATOM 1002 CD LYS A 63 21.043 27.613 1.606 1.00 49.82 C ATOM 1003 CE LYS A 63 19.772 28.122 0.942 1.00 50.21 C ATOM 1004 NZ LYS A 63 19.628 27.612 -0.448 1.00 49.70 N ATOM 0 H LYS A 63 19.535 26.127 5.884 1.00 49.53 H new ATOM 0 HA LYS A 63 21.888 27.641 5.667 1.00 50.07 H new ATOM 0 HB2 LYS A 63 20.464 26.392 3.828 1.00 49.82 H new ATOM 0 HB3 LYS A 63 19.348 27.741 3.916 1.00 49.82 H new ATOM 0 HG2 LYS A 63 20.923 29.261 2.980 1.00 49.82 H new ATOM 0 HG3 LYS A 63 22.273 28.182 3.273 1.00 49.82 H new ATOM 0 HD2 LYS A 63 21.905 27.863 0.987 1.00 49.82 H new ATOM 0 HD3 LYS A 63 21.008 26.526 1.678 1.00 49.82 H new ATOM 0 HE2 LYS A 63 18.908 27.817 1.532 1.00 50.21 H new ATOM 0 HE3 LYS A 63 19.781 29.212 0.929 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 18.750 27.982 -0.864 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 20.440 27.924 -1.018 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 19.594 26.573 -0.435 1.00 49.70 H new ATOM 1018 N GLU A 64 21.630 29.920 5.891 1.00 49.53 N ATOM 1019 CA GLU A 64 21.666 31.330 6.182 1.00 50.07 C ATOM 1020 C GLU A 64 20.982 31.656 7.476 1.00 50.51 C ATOM 1021 O GLU A 64 20.120 32.566 7.567 1.00 49.49 O ATOM 1022 CB GLU A 64 21.030 32.125 5.040 1.00 49.82 C ATOM 1023 CG GLU A 64 21.834 32.123 3.748 1.00 49.72 C ATOM 1024 CD GLU A 64 21.092 32.818 2.641 1.00 50.62 C ATOM 1025 OE1 GLU A 64 20.031 32.363 2.286 1.00 49.24 O ATOM 1026 OE2 GLU A 64 21.528 33.867 2.227 1.00 49.24 O ATOM 0 H GLU A 64 22.559 29.526 5.742 1.00 49.53 H new ATOM 0 HA GLU A 64 22.714 31.613 6.282 1.00 50.07 H new ATOM 0 HB2 GLU A 64 20.039 31.718 4.838 1.00 49.82 H new ATOM 0 HB3 GLU A 64 20.890 33.156 5.365 1.00 49.82 H new ATOM 0 HG2 GLU A 64 22.792 32.617 3.913 1.00 49.72 H new ATOM 0 HG3 GLU A 64 22.051 31.096 3.454 1.00 49.72 H new ATOM 1033 N SER A 65 21.463 31.022 8.535 1.00 49.53 N ATOM 1034 CA SER A 65 21.012 31.279 9.907 1.00 50.07 C ATOM 1035 C SER A 65 22.145 32.107 10.559 1.00 50.51 C ATOM 1036 O SER A 65 23.238 32.197 10.012 1.00 49.49 O ATOM 1037 CB SER A 65 20.772 29.980 10.653 1.00 50.05 C ATOM 1038 OG SER A 65 19.598 29.342 10.236 1.00 49.34 O ATOM 0 H SER A 65 22.186 30.305 8.472 1.00 49.53 H new ATOM 0 HA SER A 65 20.062 31.814 9.931 1.00 50.07 H new ATOM 0 HB2 SER A 65 21.620 29.313 10.500 1.00 50.05 H new ATOM 0 HB3 SER A 65 20.714 30.182 11.723 1.00 50.05 H new ATOM 0 HG SER A 65 19.482 28.509 10.739 1.00 49.34 H new ATOM 1044 N THR A 66 21.865 32.710 11.683 1.00 49.53 N ATOM 1045 CA THR A 66 22.866 33.457 12.455 1.00 50.07 C ATOM 1046 C THR A 66 23.196 32.910 13.842 1.00 50.51 C ATOM 1047 O THR A 66 22.279 32.854 14.692 1.00 49.49 O ATOM 1048 CB THR A 66 22.445 34.930 12.610 1.00 50.14 C ATOM 1049 OG1 THR A 66 22.198 35.498 11.317 1.00 49.34 O ATOM 1050 CG2 THR A 66 23.537 35.725 13.309 1.00 49.73 C ATOM 0 H THR A 66 20.936 32.707 12.105 1.00 49.53 H new ATOM 0 HA THR A 66 23.774 33.347 11.862 1.00 50.07 H new ATOM 0 HB THR A 66 21.537 34.972 13.212 1.00 50.14 H new ATOM 0 HG1 THR A 66 21.929 36.435 11.417 1.00 49.34 H new ATOM 0 HG21 THR A 66 23.223 36.764 13.410 1.00 49.73 H new ATOM 0 HG22 THR A 66 23.718 35.303 14.297 1.00 49.73 H new ATOM 0 HG23 THR A 66 24.454 35.679 12.721 1.00 49.73 H new ATOM 1058 N LEU A 67 24.422 32.411 14.039 1.00 49.53 N ATOM 1059 CA LEU A 67 24.837 31.970 15.375 1.00 50.07 C ATOM 1060 C LEU A 67 25.295 33.168 16.234 1.00 50.51 C ATOM 1061 O LEU A 67 25.592 34.186 15.587 1.00 49.49 O ATOM 1062 CB LEU A 67 25.960 30.931 15.264 1.00 49.82 C ATOM 1063 CG LEU A 67 25.596 29.657 14.491 1.00 49.91 C ATOM 1064 CD1 LEU A 67 26.854 28.856 14.183 1.00 49.73 C ATOM 1065 CD2 LEU A 67 24.616 28.827 15.307 1.00 49.73 C ATOM 0 H LEU A 67 25.128 32.304 13.311 1.00 49.53 H new ATOM 0 HA LEU A 67 23.979 31.511 15.866 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.818 31.397 14.781 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.274 30.650 16.269 1.00 49.82 H new ATOM 0 HG LEU A 67 25.124 29.928 13.547 1.00 49.91 H new ATOM 0 HD11 LEU A 67 26.585 27.953 13.634 1.00 49.73 H new ATOM 0 HD12 LEU A 67 27.531 29.460 13.579 1.00 49.73 H new ATOM 0 HD13 LEU A 67 27.347 28.580 15.115 1.00 49.73 H new ATOM 0 HD21 LEU A 67 24.359 27.922 14.756 1.00 49.73 H new ATOM 0 HD22 LEU A 67 25.074 28.555 16.258 1.00 49.73 H new ATOM 0 HD23 LEU A 67 23.713 29.408 15.492 1.00 49.73 H new ATOM 1077 N HIS A 68 25.251 33.043 17.511 1.00 49.53 N ATOM 1078 CA HIS A 68 25.727 34.156 18.368 1.00 50.07 C ATOM 1079 C HIS A 68 27.114 33.806 18.901 1.00 50.51 C ATOM 1080 O HIS A 68 27.312 32.733 19.511 1.00 49.49 O ATOM 1081 CB HIS A 68 24.757 34.412 19.526 1.00 49.92 C ATOM 1082 CG HIS A 68 25.154 35.561 20.402 1.00 50.22 C ATOM 1083 ND1 HIS A 68 24.732 35.681 21.709 1.00 49.30 N ATOM 1084 CD2 HIS A 68 25.935 36.639 20.157 1.00 49.95 C ATOM 1085 CE1 HIS A 68 25.237 36.786 22.231 1.00 50.25 C ATOM 1086 NE2 HIS A 68 25.970 37.385 21.309 1.00 49.64 N ATOM 0 H HIS A 68 24.908 32.222 18.009 1.00 49.53 H new ATOM 0 HA HIS A 68 25.778 35.069 17.775 1.00 50.07 H new ATOM 0 HB2 HIS A 68 23.763 34.602 19.120 1.00 49.92 H new ATOM 0 HB3 HIS A 68 24.686 33.510 20.135 1.00 49.92 H new ATOM 0 HD1 HIS A 68 24.126 35.021 22.197 1.00 49.30 H new ATOM 0 HD2 HIS A 68 26.437 36.869 19.229 1.00 49.95 H new ATOM 0 HE1 HIS A 68 25.078 37.139 23.239 1.00 50.25 H new ATOM 1094 N LEU A 69 28.057 34.722 18.752 1.00 49.53 N ATOM 1095 CA LEU A 69 29.404 34.542 19.282 1.00 50.07 C ATOM 1096 C LEU A 69 29.597 35.326 20.545 1.00 50.51 C ATOM 1097 O LEU A 69 29.288 36.571 20.525 1.00 49.49 O ATOM 1098 CB LEU A 69 30.446 34.951 18.234 1.00 49.82 C ATOM 1099 CG LEU A 69 31.884 34.513 18.536 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.647 34.290 17.238 1.00 49.73 C ATOM 1101 CD2 LEU A 69 32.569 35.570 19.390 1.00 49.73 C ATOM 0 H LEU A 69 27.915 35.606 18.264 1.00 49.53 H new ATOM 0 HA LEU A 69 29.537 33.486 19.518 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.151 34.535 17.271 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.428 36.036 18.131 1.00 49.82 H new ATOM 0 HG LEU A 69 31.869 33.573 19.087 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.667 33.979 17.464 1.00 49.73 H new ATOM 0 HD12 LEU A 69 32.152 33.514 16.654 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.669 35.217 16.665 1.00 49.73 H new ATOM 0 HD21 LEU A 69 33.591 35.258 19.604 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.584 36.518 18.853 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.023 35.692 20.326 1.00 49.73 H new ATOM 1113 N VAL A 70 29.958 34.717 21.627 1.00 49.53 N ATOM 1114 CA VAL A 70 30.266 35.471 22.876 1.00 50.07 C ATOM 1115 C VAL A 70 31.726 35.145 23.222 1.00 50.51 C ATOM 1116 O VAL A 70 32.149 33.981 23.043 1.00 49.49 O ATOM 1117 CB VAL A 70 29.346 35.067 24.043 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.635 35.921 25.269 1.00 49.73 C ATOM 1119 CG2 VAL A 70 27.885 35.195 23.639 1.00 49.73 C ATOM 0 H VAL A 70 30.057 33.705 21.708 1.00 49.53 H new ATOM 0 HA VAL A 70 30.106 36.538 22.718 1.00 50.07 H new ATOM 0 HB VAL A 70 29.545 34.025 24.293 1.00 49.91 H new ATOM 0 HG11 VAL A 70 28.976 35.622 26.084 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.673 35.783 25.572 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.463 36.971 25.030 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.249 34.905 24.476 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.673 36.228 23.363 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.684 34.543 22.789 1.00 49.73 H new ATOM 1129 N LEU A 71 32.477 36.125 23.670 1.00 49.53 N ATOM 1130 CA LEU A 71 33.886 35.890 24.059 1.00 50.07 C ATOM 1131 C LEU A 71 34.150 35.450 25.475 1.00 50.51 C ATOM 1132 O LEU A 71 33.696 36.091 26.444 1.00 49.49 O ATOM 1133 CB LEU A 71 34.706 37.152 23.764 1.00 49.82 C ATOM 1134 CG LEU A 71 34.768 37.560 22.287 1.00 49.91 C ATOM 1135 CD1 LEU A 71 35.711 38.743 22.111 1.00 49.73 C ATOM 1136 CD2 LEU A 71 35.227 36.375 21.450 1.00 49.73 C ATOM 0 H LEU A 71 32.159 37.088 23.780 1.00 49.53 H new ATOM 0 HA LEU A 71 34.186 35.033 23.456 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.287 37.980 24.336 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.723 36.998 24.125 1.00 49.82 H new ATOM 0 HG LEU A 71 33.776 37.862 21.952 1.00 49.91 H new ATOM 0 HD11 LEU A 71 35.748 39.025 21.059 1.00 49.73 H new ATOM 0 HD12 LEU A 71 35.351 39.586 22.700 1.00 49.73 H new ATOM 0 HD13 LEU A 71 36.710 38.465 22.448 1.00 49.73 H new ATOM 0 HD21 LEU A 71 35.271 36.666 20.400 1.00 49.73 H new ATOM 0 HD22 LEU A 71 36.216 36.058 21.780 1.00 49.73 H new ATOM 0 HD23 LEU A 71 34.523 35.551 21.569 1.00 49.73 H new ATOM 1148 N ARG A 72 34.917 34.439 25.645 1.00 49.53 N ATOM 1149 CA ARG A 72 35.314 33.930 26.975 1.00 50.07 C ATOM 1150 C ARG A 72 36.744 34.451 27.104 1.00 50.51 C ATOM 1151 O ARG A 72 37.612 33.670 26.598 1.00 49.49 O ATOM 1152 CB ARG A 72 35.214 32.417 27.100 1.00 49.82 C ATOM 1153 CG ARG A 72 35.492 31.872 28.493 1.00 49.82 C ATOM 1154 CD ARG A 72 35.032 30.474 28.705 1.00 50.20 C ATOM 1155 NE ARG A 72 35.717 29.485 27.889 1.00 49.30 N ATOM 1156 CZ ARG A 72 36.896 28.915 28.205 1.00 50.64 C ATOM 1157 NH1 ARG A 72 37.544 29.261 29.296 1.00 49.20 N ATOM 1158 NH2 ARG A 72 37.398 28.017 27.377 1.00 49.20 N ATOM 0 H ARG A 72 35.313 33.907 24.871 1.00 49.53 H new ATOM 0 HA ARG A 72 34.656 34.268 27.776 1.00 50.07 H new ATOM 0 HB2 ARG A 72 34.214 32.107 26.797 1.00 49.82 H new ATOM 0 HB3 ARG A 72 35.915 31.962 26.400 1.00 49.82 H new ATOM 0 HG2 ARG A 72 36.564 31.922 28.683 1.00 49.82 H new ATOM 0 HG3 ARG A 72 35.008 32.517 29.226 1.00 49.82 H new ATOM 0 HD2 ARG A 72 35.166 30.216 29.755 1.00 50.20 H new ATOM 0 HD3 ARG A 72 33.963 30.421 28.498 1.00 50.20 H new ATOM 0 HE ARG A 72 35.273 29.203 27.015 1.00 49.30 H new ATOM 0 HH11 ARG A 72 37.155 29.970 29.917 1.00 49.20 H new ATOM 0 HH12 ARG A 72 38.436 28.820 29.521 1.00 49.20 H new ATOM 0 HH21 ARG A 72 36.895 27.772 26.524 1.00 49.20 H new ATOM 0 HH22 ARG A 72 38.289 27.569 27.590 1.00 49.20 H new ATOM 1172 N LEU A 73 36.987 35.580 27.681 1.00 49.53 N ATOM 1173 CA LEU A 73 38.383 36.077 27.783 1.00 50.07 C ATOM 1174 C LEU A 73 39.178 35.356 28.862 1.00 50.51 C ATOM 1175 O LEU A 73 38.619 34.873 29.859 1.00 49.49 O ATOM 1176 CB LEU A 73 38.384 37.588 28.047 1.00 49.82 C ATOM 1177 CG LEU A 73 37.711 38.440 26.963 1.00 49.91 C ATOM 1178 CD1 LEU A 73 37.887 39.919 27.279 1.00 49.73 C ATOM 1179 CD2 LEU A 73 38.310 38.103 25.606 1.00 49.73 C ATOM 0 H LEU A 73 36.278 36.189 28.091 1.00 49.53 H new ATOM 0 HA LEU A 73 38.871 35.870 26.831 1.00 50.07 H new ATOM 0 HB2 LEU A 73 37.883 37.775 28.997 1.00 49.82 H new ATOM 0 HB3 LEU A 73 39.416 37.920 28.160 1.00 49.82 H new ATOM 0 HG LEU A 73 36.644 38.221 26.938 1.00 49.91 H new ATOM 0 HD11 LEU A 73 37.406 40.516 26.504 1.00 49.73 H new ATOM 0 HD12 LEU A 73 37.431 40.142 28.244 1.00 49.73 H new ATOM 0 HD13 LEU A 73 38.950 40.159 27.315 1.00 49.73 H new ATOM 0 HD21 LEU A 73 37.831 38.709 24.836 1.00 49.73 H new ATOM 0 HD22 LEU A 73 39.380 38.311 25.619 1.00 49.73 H new ATOM 0 HD23 LEU A 73 38.149 37.047 25.389 1.00 49.73 H new ATOM 1191 N ARG A 74 40.477 35.296 28.617 1.00 49.53 N ATOM 1192 CA ARG A 74 41.420 34.633 29.532 1.00 50.07 C ATOM 1193 C ARG A 74 42.102 35.662 30.429 1.00 50.51 C ATOM 1194 O ARG A 74 43.098 36.293 30.033 1.00 49.49 O ATOM 1195 CB ARG A 74 42.435 33.774 28.793 1.00 49.82 C ATOM 1196 CG ARG A 74 43.392 33.002 29.687 1.00 49.82 C ATOM 1197 CD ARG A 74 44.439 32.245 28.955 1.00 50.20 C ATOM 1198 NE ARG A 74 45.385 31.545 29.809 1.00 49.30 N ATOM 1199 CZ ARG A 74 46.343 30.708 29.364 1.00 50.64 C ATOM 1200 NH1 ARG A 74 46.463 30.435 28.084 1.00 49.20 N ATOM 1201 NH2 ARG A 74 47.146 30.150 30.253 1.00 49.20 N ATOM 0 H ARG A 74 40.914 35.699 27.788 1.00 49.53 H new ATOM 0 HA ARG A 74 40.846 33.954 30.162 1.00 50.07 H new ATOM 0 HB2 ARG A 74 41.899 33.065 28.162 1.00 49.82 H new ATOM 0 HB3 ARG A 74 43.017 34.414 28.130 1.00 49.82 H new ATOM 0 HG2 ARG A 74 43.876 33.701 30.369 1.00 49.82 H new ATOM 0 HG3 ARG A 74 42.818 32.306 30.298 1.00 49.82 H new ATOM 0 HD2 ARG A 74 43.955 31.520 28.300 1.00 50.20 H new ATOM 0 HD3 ARG A 74 44.988 32.936 28.315 1.00 50.20 H new ATOM 0 HE ARG A 74 45.319 31.698 30.815 1.00 49.30 H new ATOM 0 HH11 ARG A 74 45.825 30.859 27.410 1.00 49.20 H new ATOM 0 HH12 ARG A 74 47.194 29.799 27.764 1.00 49.20 H new ATOM 0 HH21 ARG A 74 47.031 30.357 31.245 1.00 49.20 H new ATOM 0 HH22 ARG A 74 47.881 29.512 29.947 1.00 49.20 H new ATOM 1215 N GLY A 75 41.478 35.894 31.579 1.00 49.53 N ATOM 1216 CA GLY A 75 41.972 36.829 32.580 1.00 49.98 C ATOM 1217 C GLY A 75 41.013 37.991 32.742 1.00 50.51 C ATOM 1218 O GLY A 75 39.980 38.097 32.058 1.00 49.49 O ATOM 0 H GLY A 75 40.607 35.433 31.844 1.00 49.53 H new ATOM 0 HA2 GLY A 75 42.096 36.317 33.534 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.954 37.199 32.287 1.00 49.98 H new ATOM 1222 N GLY A 76 41.335 38.814 33.722 1.00 49.53 N ATOM 1223 CA GLY A 76 40.582 40.025 34.080 1.00 49.98 C ATOM 1224 C GLY A 76 40.261 40.201 35.572 1.00 50.51 C ATOM 1225 O GLY A 76 39.170 40.742 35.844 1.00 49.49 O ATOM 0 H GLY A 76 42.151 38.663 34.315 1.00 49.53 H new ATOM 0 HA2 GLY A 76 41.149 40.894 33.746 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.644 40.023 33.524 1.00 49.98 H new