USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 670 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 6 SER OG : rot 180:sc= -0.262 USER MOD Set 1.2: A 85 SER OG : rot -60:sc= 0.536 USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0.115 USER MOD Set 2.2: A 34 THR OG1 : rot 180:sc= -0.016 USER MOD Set 2.3: A 35 THR OG1 : rot -166:sc= -0.609 USER MOD Set 3.1: A 16 SER OG : rot -14:sc= 0.277 USER MOD Set 3.2: A 54 SER OG : rot -145:sc= 0.494 USER MOD Single : A 3 SER OG : rot -166:sc= 1.1 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 14 MET CE :methyl -177:sc= -2.32! (180deg=-2.35!) USER MOD Single : A 20 CYS SG : rot 140:sc= -0.359 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0233 K(o=-0.023,f=-0.83) USER MOD Single : A 27 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.72) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0781 K(o=-0.078,f=-1.4) USER MOD Single : A 36 ASN : amide:sc= -1.05 K(o=-1.1,f=-8.3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0772 X(o=-0.077,f=-0.34) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0114 USER MOD Single : A 53 MET CE :methyl 152:sc= -0.231 (180deg=-0.974) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 83:sc= 0.405 USER MOD Single : A 69 GLN : amide:sc= -0.0491 X(o=-0.049,f=-0.39) USER MOD Single : A 70 LYS NZ :NH3+ -125:sc= -0.167 (180deg=-1.47!) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 78 CYS SG : rot -28:sc= -0.431 USER MOD Single : A 80 TYR OH : rot -123:sc= 0.196 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0.00397 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -9.264 -0.805 -5.900 1.00 52.34 N ATOM 2 CA PRO A 1 -8.161 -1.698 -6.264 1.00 33.32 C ATOM 3 C PRO A 1 -7.872 -2.734 -5.184 1.00 25.01 C ATOM 4 O PRO A 1 -7.640 -2.389 -4.026 1.00 60.42 O ATOM 5 CB PRO A 1 -6.972 -0.746 -6.424 1.00 71.02 C ATOM 6 CG PRO A 1 -7.306 0.425 -5.566 1.00 74.43 C ATOM 7 CD PRO A 1 -8.802 0.566 -5.622 1.00 30.13 C ATOM 0 H2 PRO A 1 -9.741 -1.174 -5.078 1.00 52.34 H new ATOM 0 H3 PRO A 1 -9.947 -0.785 -6.657 1.00 52.34 H new ATOM 0 HA PRO A 1 -8.385 -2.277 -7.160 1.00 33.32 H new ATOM 0 HB2 PRO A 1 -6.042 -1.217 -6.106 1.00 71.02 H new ATOM 0 HB3 PRO A 1 -6.840 -0.449 -7.464 1.00 71.02 H new ATOM 0 HG2 PRO A 1 -6.967 0.268 -4.542 1.00 74.43 H new ATOM 0 HG3 PRO A 1 -6.815 1.328 -5.929 1.00 74.43 H new ATOM 0 HD2 PRO A 1 -9.205 0.943 -4.682 1.00 30.13 H new ATOM 0 HD3 PRO A 1 -9.111 1.260 -6.403 1.00 30.13 H new ATOM 15 N GLY A 2 -7.887 -4.006 -5.571 1.00 34.43 N ATOM 16 CA GLY A 2 -7.624 -5.073 -4.623 1.00 52.43 C ATOM 17 C GLY A 2 -6.159 -5.461 -4.578 1.00 71.25 C ATOM 18 O GLY A 2 -5.486 -5.493 -5.607 1.00 34.30 O ATOM 0 H GLY A 2 -8.077 -4.316 -6.524 1.00 34.43 H new ATOM 0 HA2 GLY A 2 -7.944 -4.759 -3.629 1.00 52.43 H new ATOM 0 HA3 GLY A 2 -8.220 -5.946 -4.889 1.00 52.43 H new ATOM 22 N SER A 3 -5.663 -5.755 -3.380 1.00 72.21 N ATOM 23 CA SER A 3 -4.268 -6.137 -3.204 1.00 61.54 C ATOM 24 C SER A 3 -3.905 -7.307 -4.113 1.00 62.44 C ATOM 25 O SER A 3 -4.293 -8.447 -3.859 1.00 61.12 O ATOM 26 CB SER A 3 -4.000 -6.509 -1.743 1.00 31.31 C ATOM 27 OG SER A 3 -4.795 -7.612 -1.343 1.00 12.05 O ATOM 0 H SER A 3 -6.207 -5.736 -2.517 1.00 72.21 H new ATOM 0 HA SER A 3 -3.647 -5.283 -3.475 1.00 61.54 H new ATOM 0 HB2 SER A 3 -2.945 -6.751 -1.614 1.00 31.31 H new ATOM 0 HB3 SER A 3 -4.211 -5.653 -1.102 1.00 31.31 H new ATOM 0 HG SER A 3 -4.780 -7.689 -0.366 1.00 12.05 H new ATOM 33 N MET A 4 -3.160 -7.015 -5.173 1.00 71.22 N ATOM 34 CA MET A 4 -2.744 -8.043 -6.121 1.00 10.34 C ATOM 35 C MET A 4 -1.875 -9.093 -5.437 1.00 13.52 C ATOM 36 O MET A 4 -1.909 -10.270 -5.796 1.00 10.30 O ATOM 37 CB MET A 4 -1.979 -7.412 -7.287 1.00 21.22 C ATOM 38 CG MET A 4 -1.652 -8.394 -8.401 1.00 65.30 C ATOM 39 SD MET A 4 -3.104 -8.870 -9.357 1.00 72.13 S ATOM 40 CE MET A 4 -2.357 -9.906 -10.613 1.00 41.52 C ATOM 0 H MET A 4 -2.832 -6.076 -5.398 1.00 71.22 H new ATOM 0 HA MET A 4 -3.639 -8.532 -6.505 1.00 10.34 H new ATOM 0 HB2 MET A 4 -2.569 -6.593 -7.697 1.00 21.22 H new ATOM 0 HB3 MET A 4 -1.052 -6.980 -6.911 1.00 21.22 H new ATOM 0 HG2 MET A 4 -0.913 -7.948 -9.067 1.00 65.30 H new ATOM 0 HG3 MET A 4 -1.196 -9.286 -7.971 1.00 65.30 H new ATOM 0 HE1 MET A 4 -3.130 -10.279 -11.285 1.00 41.52 H new ATOM 0 HE2 MET A 4 -1.632 -9.323 -11.182 1.00 41.52 H new ATOM 0 HE3 MET A 4 -1.853 -10.748 -10.138 1.00 41.52 H new ATOM 50 N VAL A 5 -1.097 -8.660 -4.451 1.00 50.34 N ATOM 51 CA VAL A 5 -0.219 -9.563 -3.716 1.00 72.33 C ATOM 52 C VAL A 5 -1.017 -10.461 -2.776 1.00 44.51 C ATOM 53 O VAL A 5 -2.066 -10.066 -2.266 1.00 2.23 O ATOM 54 CB VAL A 5 0.830 -8.787 -2.898 1.00 11.11 C ATOM 55 CG1 VAL A 5 1.844 -9.740 -2.286 1.00 21.20 C ATOM 56 CG2 VAL A 5 1.520 -7.747 -3.770 1.00 11.22 C ATOM 0 H VAL A 5 -1.057 -7.689 -4.142 1.00 50.34 H new ATOM 0 HA VAL A 5 0.292 -10.178 -4.457 1.00 72.33 H new ATOM 0 HB VAL A 5 0.321 -8.268 -2.085 1.00 11.11 H new ATOM 0 HG11 VAL A 5 2.577 -9.172 -1.712 1.00 21.20 H new ATOM 0 HG12 VAL A 5 1.332 -10.442 -1.628 1.00 21.20 H new ATOM 0 HG13 VAL A 5 2.351 -10.290 -3.079 1.00 21.20 H new ATOM 0 HG21 VAL A 5 2.258 -7.207 -3.177 1.00 11.22 H new ATOM 0 HG22 VAL A 5 2.017 -8.243 -4.604 1.00 11.22 H new ATOM 0 HG23 VAL A 5 0.780 -7.045 -4.154 1.00 11.22 H new ATOM 66 N SER A 6 -0.512 -11.670 -2.550 1.00 10.42 N ATOM 67 CA SER A 6 -1.179 -12.625 -1.674 1.00 13.32 C ATOM 68 C SER A 6 -0.919 -12.291 -0.208 1.00 1.55 C ATOM 69 O SER A 6 0.058 -12.753 0.379 1.00 70.20 O ATOM 70 CB SER A 6 -0.703 -14.047 -1.978 1.00 31.11 C ATOM 71 OG SER A 6 -1.439 -14.613 -3.048 1.00 12.30 O ATOM 0 H SER A 6 0.357 -12.011 -2.962 1.00 10.42 H new ATOM 0 HA SER A 6 -2.252 -12.562 -1.858 1.00 13.32 H new ATOM 0 HB2 SER A 6 0.358 -14.033 -2.229 1.00 31.11 H new ATOM 0 HB3 SER A 6 -0.812 -14.668 -1.089 1.00 31.11 H new ATOM 0 HG SER A 6 -1.115 -15.521 -3.224 1.00 12.30 H new ATOM 77 N GLU A 7 -1.802 -11.486 0.374 1.00 25.12 N ATOM 78 CA GLU A 7 -1.667 -11.090 1.771 1.00 23.40 C ATOM 79 C GLU A 7 -1.493 -12.312 2.669 1.00 11.43 C ATOM 80 O GLU A 7 -0.847 -12.239 3.714 1.00 4.20 O ATOM 81 CB GLU A 7 -2.891 -10.287 2.217 1.00 61.41 C ATOM 82 CG GLU A 7 -2.821 -8.815 1.845 1.00 52.15 C ATOM 83 CD GLU A 7 -4.044 -8.041 2.295 1.00 32.24 C ATOM 84 OE1 GLU A 7 -4.194 -7.827 3.517 1.00 13.40 O ATOM 85 OE2 GLU A 7 -4.852 -7.649 1.427 1.00 63.30 O ATOM 0 H GLU A 7 -2.617 -11.096 -0.099 1.00 25.12 H new ATOM 0 HA GLU A 7 -0.778 -10.465 1.860 1.00 23.40 H new ATOM 0 HB2 GLU A 7 -3.784 -10.724 1.771 1.00 61.41 H new ATOM 0 HB3 GLU A 7 -2.999 -10.375 3.298 1.00 61.41 H new ATOM 0 HG2 GLU A 7 -1.931 -8.373 2.293 1.00 52.15 H new ATOM 0 HG3 GLU A 7 -2.714 -8.722 0.764 1.00 52.15 H new ATOM 92 N GLU A 8 -2.074 -13.432 2.254 1.00 62.33 N ATOM 93 CA GLU A 8 -1.984 -14.669 3.021 1.00 22.01 C ATOM 94 C GLU A 8 -0.542 -15.159 3.096 1.00 45.53 C ATOM 95 O GLU A 8 -0.020 -15.422 4.180 1.00 0.33 O ATOM 96 CB GLU A 8 -2.870 -15.750 2.395 1.00 5.22 C ATOM 97 CG GLU A 8 -3.064 -16.967 3.283 1.00 4.01 C ATOM 98 CD GLU A 8 -4.146 -16.760 4.326 1.00 65.32 C ATOM 99 OE1 GLU A 8 -5.320 -17.065 4.029 1.00 10.50 O ATOM 100 OE2 GLU A 8 -3.817 -16.296 5.437 1.00 20.33 O ATOM 0 H GLU A 8 -2.612 -13.509 1.391 1.00 62.33 H new ATOM 0 HA GLU A 8 -2.333 -14.464 4.033 1.00 22.01 H new ATOM 0 HB2 GLU A 8 -3.845 -15.320 2.164 1.00 5.22 H new ATOM 0 HB3 GLU A 8 -2.429 -16.067 1.450 1.00 5.22 H new ATOM 0 HG2 GLU A 8 -3.320 -17.827 2.664 1.00 4.01 H new ATOM 0 HG3 GLU A 8 -2.124 -17.202 3.782 1.00 4.01 H new ATOM 107 N ILE A 9 0.098 -15.280 1.937 1.00 60.43 N ATOM 108 CA ILE A 9 1.480 -15.738 1.871 1.00 52.14 C ATOM 109 C ILE A 9 2.439 -14.663 2.371 1.00 13.42 C ATOM 110 O ILE A 9 3.477 -14.967 2.960 1.00 51.22 O ATOM 111 CB ILE A 9 1.873 -16.135 0.436 1.00 32.12 C ATOM 112 CG1 ILE A 9 0.776 -16.991 -0.199 1.00 51.12 C ATOM 113 CG2 ILE A 9 3.199 -16.880 0.438 1.00 50.42 C ATOM 114 CD1 ILE A 9 1.122 -17.484 -1.587 1.00 72.45 C ATOM 0 H ILE A 9 -0.319 -15.067 1.031 1.00 60.43 H new ATOM 0 HA ILE A 9 1.554 -16.615 2.514 1.00 52.14 H new ATOM 0 HB ILE A 9 1.988 -15.228 -0.157 1.00 32.12 H new ATOM 0 HG12 ILE A 9 0.578 -17.849 0.444 1.00 51.12 H new ATOM 0 HG13 ILE A 9 -0.145 -16.410 -0.248 1.00 51.12 H new ATOM 0 HG21 ILE A 9 3.464 -17.154 -0.583 1.00 50.42 H new ATOM 0 HG22 ILE A 9 3.976 -16.239 0.855 1.00 50.42 H new ATOM 0 HG23 ILE A 9 3.109 -17.782 1.044 1.00 50.42 H new ATOM 0 HD11 ILE A 9 0.299 -18.084 -1.976 1.00 72.45 H new ATOM 0 HD12 ILE A 9 1.291 -16.631 -2.244 1.00 72.45 H new ATOM 0 HD13 ILE A 9 2.025 -18.093 -1.542 1.00 72.45 H new ATOM 126 N LYS A 10 2.084 -13.405 2.133 1.00 24.45 N ATOM 127 CA LYS A 10 2.912 -12.283 2.561 1.00 53.51 C ATOM 128 C LYS A 10 3.246 -12.389 4.045 1.00 24.33 C ATOM 129 O LYS A 10 4.369 -12.102 4.460 1.00 33.51 O ATOM 130 CB LYS A 10 2.194 -10.959 2.282 1.00 74.03 C ATOM 131 CG LYS A 10 3.138 -9.781 2.117 1.00 54.41 C ATOM 132 CD LYS A 10 3.578 -9.226 3.461 1.00 65.13 C ATOM 133 CE LYS A 10 4.164 -7.828 3.322 1.00 45.24 C ATOM 134 NZ LYS A 10 4.864 -7.394 4.562 1.00 3.11 N ATOM 0 H LYS A 10 1.229 -13.137 1.646 1.00 24.45 H new ATOM 0 HA LYS A 10 3.843 -12.312 1.994 1.00 53.51 H new ATOM 0 HB2 LYS A 10 1.595 -11.063 1.378 1.00 74.03 H new ATOM 0 HB3 LYS A 10 1.504 -10.750 3.099 1.00 74.03 H new ATOM 0 HG2 LYS A 10 4.013 -10.092 1.547 1.00 54.41 H new ATOM 0 HG3 LYS A 10 2.645 -8.997 1.542 1.00 54.41 H new ATOM 0 HD2 LYS A 10 2.727 -9.199 4.141 1.00 65.13 H new ATOM 0 HD3 LYS A 10 4.320 -9.890 3.905 1.00 65.13 H new ATOM 0 HE2 LYS A 10 4.862 -7.809 2.485 1.00 45.24 H new ATOM 0 HE3 LYS A 10 3.367 -7.122 3.089 1.00 45.24 H new ATOM 0 HZ1 LYS A 10 5.249 -6.437 4.427 1.00 3.11 H new ATOM 0 HZ2 LYS A 10 4.192 -7.388 5.356 1.00 3.11 H new ATOM 0 HZ3 LYS A 10 5.641 -8.053 4.771 1.00 3.11 H new ATOM 148 N ALA A 11 2.267 -12.805 4.841 1.00 50.21 N ATOM 149 CA ALA A 11 2.459 -12.952 6.278 1.00 34.33 C ATOM 150 C ALA A 11 3.381 -14.126 6.590 1.00 4.45 C ATOM 151 O ALA A 11 4.113 -14.105 7.579 1.00 53.20 O ATOM 152 CB ALA A 11 1.118 -13.131 6.975 1.00 43.42 C ATOM 0 H ALA A 11 1.331 -13.047 4.514 1.00 50.21 H new ATOM 0 HA ALA A 11 2.931 -12.043 6.652 1.00 34.33 H new ATOM 0 HB1 ALA A 11 1.277 -13.240 8.048 1.00 43.42 H new ATOM 0 HB2 ALA A 11 0.491 -12.259 6.788 1.00 43.42 H new ATOM 0 HB3 ALA A 11 0.624 -14.023 6.589 1.00 43.42 H new ATOM 158 N GLN A 12 3.338 -15.148 5.742 1.00 24.33 N ATOM 159 CA GLN A 12 4.169 -16.331 5.930 1.00 2.14 C ATOM 160 C GLN A 12 5.616 -16.048 5.539 1.00 42.14 C ATOM 161 O GLN A 12 6.547 -16.423 6.251 1.00 75.20 O ATOM 162 CB GLN A 12 3.625 -17.499 5.105 1.00 54.01 C ATOM 163 CG GLN A 12 2.464 -18.223 5.767 1.00 32.44 C ATOM 164 CD GLN A 12 2.897 -19.483 6.490 1.00 15.14 C ATOM 165 OE1 GLN A 12 2.773 -20.588 5.962 1.00 41.43 O ATOM 166 NE2 GLN A 12 3.409 -19.322 7.705 1.00 62.23 N ATOM 0 H GLN A 12 2.737 -15.181 4.919 1.00 24.33 H new ATOM 0 HA GLN A 12 4.143 -16.598 6.986 1.00 2.14 H new ATOM 0 HB2 GLN A 12 3.303 -17.127 4.132 1.00 54.01 H new ATOM 0 HB3 GLN A 12 4.430 -18.211 4.924 1.00 54.01 H new ATOM 0 HG2 GLN A 12 1.978 -17.551 6.475 1.00 32.44 H new ATOM 0 HG3 GLN A 12 1.722 -18.480 5.011 1.00 32.44 H new ATOM 0 HE21 GLN A 12 3.493 -18.387 8.103 1.00 62.23 H new ATOM 0 HE22 GLN A 12 3.718 -20.134 8.240 1.00 62.23 H new ATOM 175 N VAL A 13 5.797 -15.384 4.402 1.00 55.30 N ATOM 176 CA VAL A 13 7.130 -15.050 3.917 1.00 61.15 C ATOM 177 C VAL A 13 7.828 -14.070 4.854 1.00 35.34 C ATOM 178 O VAL A 13 9.017 -14.205 5.138 1.00 43.12 O ATOM 179 CB VAL A 13 7.077 -14.441 2.502 1.00 14.51 C ATOM 180 CG1 VAL A 13 6.610 -15.477 1.492 1.00 15.43 C ATOM 181 CG2 VAL A 13 6.172 -13.218 2.483 1.00 71.30 C ATOM 0 H VAL A 13 5.037 -15.067 3.800 1.00 55.30 H new ATOM 0 HA VAL A 13 7.696 -15.981 3.883 1.00 61.15 H new ATOM 0 HB VAL A 13 8.082 -14.125 2.223 1.00 14.51 H new ATOM 0 HG11 VAL A 13 6.579 -15.029 0.499 1.00 15.43 H new ATOM 0 HG12 VAL A 13 7.302 -16.319 1.488 1.00 15.43 H new ATOM 0 HG13 VAL A 13 5.614 -15.827 1.764 1.00 15.43 H new ATOM 0 HG21 VAL A 13 6.146 -12.800 1.477 1.00 71.30 H new ATOM 0 HG22 VAL A 13 5.164 -13.506 2.783 1.00 71.30 H new ATOM 0 HG23 VAL A 13 6.557 -12.470 3.176 1.00 71.30 H new ATOM 191 N MET A 14 7.077 -13.083 5.332 1.00 13.51 N ATOM 192 CA MET A 14 7.623 -12.080 6.240 1.00 42.15 C ATOM 193 C MET A 14 7.870 -12.675 7.623 1.00 13.12 C ATOM 194 O MET A 14 8.861 -12.356 8.278 1.00 73.12 O ATOM 195 CB MET A 14 6.671 -10.888 6.348 1.00 42.43 C ATOM 196 CG MET A 14 5.344 -11.227 7.009 1.00 3.14 C ATOM 197 SD MET A 14 5.332 -10.855 8.774 1.00 42.00 S ATOM 198 CE MET A 14 3.756 -11.555 9.256 1.00 52.44 C ATOM 0 H MET A 14 6.090 -12.956 5.106 1.00 13.51 H new ATOM 0 HA MET A 14 8.576 -11.740 5.835 1.00 42.15 H new ATOM 0 HB2 MET A 14 7.158 -10.095 6.915 1.00 42.43 H new ATOM 0 HB3 MET A 14 6.480 -10.494 5.350 1.00 42.43 H new ATOM 0 HG2 MET A 14 4.546 -10.670 6.519 1.00 3.14 H new ATOM 0 HG3 MET A 14 5.130 -12.286 6.863 1.00 3.14 H new ATOM 0 HE1 MET A 14 3.578 -11.358 10.313 1.00 52.44 H new ATOM 0 HE2 MET A 14 2.961 -11.103 8.664 1.00 52.44 H new ATOM 0 HE3 MET A 14 3.768 -12.631 9.085 1.00 52.44 H new ATOM 208 N GLU A 15 6.961 -13.542 8.061 1.00 31.13 N ATOM 209 CA GLU A 15 7.081 -14.180 9.366 1.00 3.51 C ATOM 210 C GLU A 15 8.278 -15.127 9.400 1.00 40.41 C ATOM 211 O GLU A 15 8.956 -15.250 10.420 1.00 50.11 O ATOM 212 CB GLU A 15 5.800 -14.947 9.703 1.00 51.42 C ATOM 213 CG GLU A 15 5.842 -15.635 11.058 1.00 64.33 C ATOM 214 CD GLU A 15 5.520 -14.693 12.201 1.00 14.11 C ATOM 215 OE1 GLU A 15 5.852 -13.493 12.092 1.00 12.44 O ATOM 216 OE2 GLU A 15 4.939 -15.154 13.205 1.00 72.54 O ATOM 0 H GLU A 15 6.134 -13.818 7.531 1.00 31.13 H new ATOM 0 HA GLU A 15 7.235 -13.400 10.111 1.00 3.51 H new ATOM 0 HB2 GLU A 15 4.957 -14.257 9.681 1.00 51.42 H new ATOM 0 HB3 GLU A 15 5.620 -15.695 8.931 1.00 51.42 H new ATOM 0 HG2 GLU A 15 5.132 -16.462 11.063 1.00 64.33 H new ATOM 0 HG3 GLU A 15 6.832 -16.063 11.213 1.00 64.33 H new ATOM 223 N SER A 16 8.529 -15.795 8.278 1.00 34.34 N ATOM 224 CA SER A 16 9.639 -16.735 8.181 1.00 4.21 C ATOM 225 C SER A 16 10.972 -15.995 8.098 1.00 25.30 C ATOM 226 O SER A 16 11.914 -16.303 8.827 1.00 71.45 O ATOM 227 CB SER A 16 9.467 -17.636 6.957 1.00 21.44 C ATOM 228 OG SER A 16 10.439 -18.666 6.942 1.00 73.30 O ATOM 0 H SER A 16 7.979 -15.702 7.424 1.00 34.34 H new ATOM 0 HA SER A 16 9.640 -17.351 9.080 1.00 4.21 H new ATOM 0 HB2 SER A 16 8.469 -18.074 6.961 1.00 21.44 H new ATOM 0 HB3 SER A 16 9.550 -17.040 6.048 1.00 21.44 H new ATOM 0 HG SER A 16 11.145 -18.459 7.589 1.00 73.30 H new ATOM 234 N VAL A 17 11.042 -15.014 7.203 1.00 40.23 N ATOM 235 CA VAL A 17 12.257 -14.228 7.023 1.00 71.33 C ATOM 236 C VAL A 17 12.690 -13.581 8.333 1.00 73.43 C ATOM 237 O VAL A 17 13.845 -13.698 8.743 1.00 75.50 O ATOM 238 CB VAL A 17 12.063 -13.131 5.960 1.00 54.13 C ATOM 239 CG1 VAL A 17 13.279 -12.219 5.906 1.00 61.33 C ATOM 240 CG2 VAL A 17 11.792 -13.752 4.597 1.00 64.43 C ATOM 0 H VAL A 17 10.271 -14.745 6.591 1.00 40.23 H new ATOM 0 HA VAL A 17 13.033 -14.915 6.686 1.00 71.33 H new ATOM 0 HB VAL A 17 11.198 -12.529 6.238 1.00 54.13 H new ATOM 0 HG11 VAL A 17 13.124 -11.450 5.149 1.00 61.33 H new ATOM 0 HG12 VAL A 17 13.424 -11.748 6.878 1.00 61.33 H new ATOM 0 HG13 VAL A 17 14.162 -12.805 5.652 1.00 61.33 H new ATOM 0 HG21 VAL A 17 11.657 -12.962 3.858 1.00 64.43 H new ATOM 0 HG22 VAL A 17 12.636 -14.379 4.309 1.00 64.43 H new ATOM 0 HG23 VAL A 17 10.889 -14.360 4.647 1.00 64.43 H new ATOM 250 N ILE A 18 11.756 -12.896 8.986 1.00 20.20 N ATOM 251 CA ILE A 18 12.041 -12.230 10.250 1.00 4.21 C ATOM 252 C ILE A 18 12.775 -13.162 11.209 1.00 21.34 C ATOM 253 O ILE A 18 13.808 -12.803 11.773 1.00 62.42 O ATOM 254 CB ILE A 18 10.751 -11.729 10.926 1.00 54.43 C ATOM 255 CG1 ILE A 18 10.152 -10.568 10.132 1.00 21.40 C ATOM 256 CG2 ILE A 18 11.035 -11.306 12.360 1.00 35.43 C ATOM 257 CD1 ILE A 18 8.672 -10.368 10.378 1.00 14.31 C ATOM 0 H ILE A 18 10.796 -12.788 8.660 1.00 20.20 H new ATOM 0 HA ILE A 18 12.677 -11.375 10.020 1.00 4.21 H new ATOM 0 HB ILE A 18 10.027 -12.544 10.944 1.00 54.43 H new ATOM 0 HG12 ILE A 18 10.682 -9.651 10.389 1.00 21.40 H new ATOM 0 HG13 ILE A 18 10.315 -10.743 9.069 1.00 21.40 H new ATOM 0 HG21 ILE A 18 10.114 -10.954 12.825 1.00 35.43 H new ATOM 0 HG22 ILE A 18 11.422 -12.157 12.920 1.00 35.43 H new ATOM 0 HG23 ILE A 18 11.772 -10.503 12.363 1.00 35.43 H new ATOM 0 HD11 ILE A 18 8.314 -9.528 9.782 1.00 14.31 H new ATOM 0 HD12 ILE A 18 8.131 -11.271 10.094 1.00 14.31 H new ATOM 0 HD13 ILE A 18 8.504 -10.161 11.435 1.00 14.31 H new ATOM 269 N GLY A 19 12.236 -14.364 11.387 1.00 20.44 N ATOM 270 CA GLY A 19 12.853 -15.331 12.276 1.00 33.42 C ATOM 271 C GLY A 19 14.088 -15.968 11.672 1.00 43.03 C ATOM 272 O GLY A 19 14.956 -16.461 12.393 1.00 24.14 O ATOM 0 H GLY A 19 11.382 -14.686 10.931 1.00 20.44 H new ATOM 0 HA2 GLY A 19 13.122 -14.840 13.211 1.00 33.42 H new ATOM 0 HA3 GLY A 19 12.129 -16.109 12.520 1.00 33.42 H new ATOM 276 N CYS A 20 14.167 -15.960 10.346 1.00 11.52 N ATOM 277 CA CYS A 20 15.305 -16.545 9.645 1.00 1.22 C ATOM 278 C CYS A 20 16.589 -15.786 9.964 1.00 65.11 C ATOM 279 O CYS A 20 17.605 -16.386 10.317 1.00 25.20 O ATOM 280 CB CYS A 20 15.057 -16.540 8.136 1.00 12.21 C ATOM 281 SG CYS A 20 15.745 -17.971 7.270 1.00 23.42 S ATOM 0 H CYS A 20 13.458 -15.555 9.735 1.00 11.52 H new ATOM 0 HA CYS A 20 15.420 -17.575 9.984 1.00 1.22 H new ATOM 0 HB2 CYS A 20 13.983 -16.501 7.955 1.00 12.21 H new ATOM 0 HB3 CYS A 20 15.485 -15.632 7.711 1.00 12.21 H new ATOM 0 HG CYS A 20 14.908 -18.371 6.360 1.00 23.42 H new ATOM 287 N LEU A 21 16.536 -14.465 9.836 1.00 53.41 N ATOM 288 CA LEU A 21 17.695 -13.623 10.110 1.00 51.22 C ATOM 289 C LEU A 21 17.544 -12.905 11.447 1.00 15.30 C ATOM 290 O LEU A 21 18.396 -12.104 11.834 1.00 53.22 O ATOM 291 CB LEU A 21 17.884 -12.600 8.988 1.00 25.12 C ATOM 292 CG LEU A 21 16.638 -12.269 8.165 1.00 53.32 C ATOM 293 CD1 LEU A 21 16.746 -10.874 7.571 1.00 4.41 C ATOM 294 CD2 LEU A 21 16.434 -13.303 7.067 1.00 52.43 C ATOM 0 H LEU A 21 15.703 -13.954 9.544 1.00 53.41 H new ATOM 0 HA LEU A 21 18.574 -14.265 10.161 1.00 51.22 H new ATOM 0 HB2 LEU A 21 18.262 -11.676 9.426 1.00 25.12 H new ATOM 0 HB3 LEU A 21 18.654 -12.971 8.311 1.00 25.12 H new ATOM 0 HG LEU A 21 15.772 -12.294 8.826 1.00 53.32 H new ATOM 0 HD11 LEU A 21 15.851 -10.656 6.989 1.00 4.41 H new ATOM 0 HD12 LEU A 21 16.844 -10.143 8.374 1.00 4.41 H new ATOM 0 HD13 LEU A 21 17.621 -10.821 6.924 1.00 4.41 H new ATOM 0 HD21 LEU A 21 15.543 -13.052 6.492 1.00 52.43 H new ATOM 0 HD22 LEU A 21 17.302 -13.310 6.408 1.00 52.43 H new ATOM 0 HD23 LEU A 21 16.311 -14.289 7.514 1.00 52.43 H new ATOM 306 N LYS A 22 16.456 -13.200 12.151 1.00 1.40 N ATOM 307 CA LYS A 22 16.194 -12.587 13.448 1.00 75.54 C ATOM 308 C LYS A 22 16.333 -11.069 13.370 1.00 52.33 C ATOM 309 O LYS A 22 17.413 -10.522 13.598 1.00 32.45 O ATOM 310 CB LYS A 22 17.154 -13.143 14.502 1.00 53.14 C ATOM 311 CG LYS A 22 17.204 -14.661 14.538 1.00 11.31 C ATOM 312 CD LYS A 22 18.296 -15.205 13.633 1.00 24.50 C ATOM 313 CE LYS A 22 18.823 -16.540 14.136 1.00 14.00 C ATOM 314 NZ LYS A 22 19.885 -16.365 15.166 1.00 54.14 N ATOM 0 H LYS A 22 15.741 -13.860 11.845 1.00 1.40 H new ATOM 0 HA LYS A 22 15.170 -12.827 13.735 1.00 75.54 H new ATOM 0 HB2 LYS A 22 18.156 -12.759 14.308 1.00 53.14 H new ATOM 0 HB3 LYS A 22 16.856 -12.774 15.483 1.00 53.14 H new ATOM 0 HG2 LYS A 22 17.377 -14.996 15.561 1.00 11.31 H new ATOM 0 HG3 LYS A 22 16.240 -15.065 14.229 1.00 11.31 H new ATOM 0 HD2 LYS A 22 17.906 -15.324 12.622 1.00 24.50 H new ATOM 0 HD3 LYS A 22 19.115 -14.487 13.577 1.00 24.50 H new ATOM 0 HE2 LYS A 22 18.001 -17.120 14.557 1.00 14.00 H new ATOM 0 HE3 LYS A 22 19.221 -17.112 13.298 1.00 14.00 H new ATOM 0 HZ1 LYS A 22 20.218 -17.298 15.483 1.00 54.14 H new ATOM 0 HZ2 LYS A 22 20.680 -15.834 14.758 1.00 54.14 H new ATOM 0 HZ3 LYS A 22 19.499 -15.841 15.977 1.00 54.14 H new ATOM 328 N LEU A 23 15.235 -10.396 13.047 1.00 63.12 N ATOM 329 CA LEU A 23 15.233 -8.941 12.941 1.00 10.22 C ATOM 330 C LEU A 23 14.872 -8.297 14.277 1.00 71.20 C ATOM 331 O LEU A 23 14.394 -8.968 15.190 1.00 42.11 O ATOM 332 CB LEU A 23 14.247 -8.489 11.862 1.00 24.31 C ATOM 333 CG LEU A 23 14.729 -8.620 10.417 1.00 34.40 C ATOM 334 CD1 LEU A 23 16.021 -7.845 10.213 1.00 62.24 C ATOM 335 CD2 LEU A 23 14.920 -10.084 10.049 1.00 71.34 C ATOM 0 H LEU A 23 14.334 -10.834 12.854 1.00 63.12 H new ATOM 0 HA LEU A 23 16.238 -8.621 12.664 1.00 10.22 H new ATOM 0 HB2 LEU A 23 13.329 -9.066 11.972 1.00 24.31 H new ATOM 0 HB3 LEU A 23 13.991 -7.446 12.046 1.00 24.31 H new ATOM 0 HG LEU A 23 13.968 -8.197 9.761 1.00 34.40 H new ATOM 0 HD11 LEU A 23 16.349 -7.950 9.179 1.00 62.24 H new ATOM 0 HD12 LEU A 23 15.852 -6.791 10.435 1.00 62.24 H new ATOM 0 HD13 LEU A 23 16.790 -8.237 10.879 1.00 62.24 H new ATOM 0 HD21 LEU A 23 15.263 -10.158 9.017 1.00 71.34 H new ATOM 0 HD22 LEU A 23 15.661 -10.532 10.711 1.00 71.34 H new ATOM 0 HD23 LEU A 23 13.973 -10.612 10.155 1.00 71.34 H new ATOM 347 N ASN A 24 15.102 -6.993 14.381 1.00 45.20 N ATOM 348 CA ASN A 24 14.799 -6.259 15.604 1.00 65.04 C ATOM 349 C ASN A 24 13.652 -5.278 15.379 1.00 22.23 C ATOM 350 O ASN A 24 13.009 -5.288 14.329 1.00 61.52 O ATOM 351 CB ASN A 24 16.039 -5.507 16.092 1.00 25.14 C ATOM 352 CG ASN A 24 17.289 -6.364 16.047 1.00 24.34 C ATOM 353 OD1 ASN A 24 17.226 -7.583 16.200 1.00 75.32 O ATOM 354 ND2 ASN A 24 18.435 -5.727 15.836 1.00 12.31 N ATOM 0 H ASN A 24 15.497 -6.423 13.633 1.00 45.20 H new ATOM 0 HA ASN A 24 14.495 -6.978 16.365 1.00 65.04 H new ATOM 0 HB2 ASN A 24 16.188 -4.619 15.477 1.00 25.14 H new ATOM 0 HB3 ASN A 24 15.874 -5.163 17.113 1.00 25.14 H new ATOM 0 HD21 ASN A 24 19.310 -6.250 15.796 1.00 12.31 H new ATOM 0 HD22 ASN A 24 18.441 -4.714 15.714 1.00 12.31 H new ATOM 361 N ASP A 25 13.401 -4.432 16.372 1.00 44.23 N ATOM 362 CA ASP A 25 12.332 -3.443 16.284 1.00 34.40 C ATOM 363 C ASP A 25 12.641 -2.404 15.210 1.00 23.34 C ATOM 364 O ASP A 25 11.739 -1.904 14.540 1.00 45.40 O ATOM 365 CB ASP A 25 12.131 -2.756 17.635 1.00 1.51 C ATOM 366 CG ASP A 25 13.056 -1.569 17.824 1.00 64.32 C ATOM 367 OD1 ASP A 25 14.252 -1.789 18.107 1.00 20.14 O ATOM 368 OD2 ASP A 25 12.584 -0.420 17.689 1.00 24.33 O ATOM 0 H ASP A 25 13.923 -4.411 17.248 1.00 44.23 H new ATOM 0 HA ASP A 25 11.413 -3.960 16.009 1.00 34.40 H new ATOM 0 HB2 ASP A 25 11.096 -2.424 17.720 1.00 1.51 H new ATOM 0 HB3 ASP A 25 12.301 -3.477 18.435 1.00 1.51 H new ATOM 373 N GLU A 26 13.922 -2.085 15.055 1.00 23.44 N ATOM 374 CA GLU A 26 14.349 -1.103 14.064 1.00 51.55 C ATOM 375 C GLU A 26 14.226 -1.668 12.653 1.00 41.22 C ATOM 376 O GLU A 26 13.661 -1.027 11.766 1.00 64.53 O ATOM 377 CB GLU A 26 15.794 -0.673 14.330 1.00 23.33 C ATOM 378 CG GLU A 26 15.998 -0.035 15.693 1.00 11.13 C ATOM 379 CD GLU A 26 17.400 0.512 15.877 1.00 33.12 C ATOM 380 OE1 GLU A 26 18.335 -0.297 16.044 1.00 53.41 O ATOM 381 OE2 GLU A 26 17.561 1.750 15.854 1.00 10.11 O ATOM 0 H GLU A 26 14.681 -2.491 15.602 1.00 23.44 H new ATOM 0 HA GLU A 26 13.698 -0.233 14.147 1.00 51.55 H new ATOM 0 HB2 GLU A 26 16.445 -1.543 14.245 1.00 23.33 H new ATOM 0 HB3 GLU A 26 16.102 0.032 13.558 1.00 23.33 H new ATOM 0 HG2 GLU A 26 15.277 0.772 15.824 1.00 11.13 H new ATOM 0 HG3 GLU A 26 15.795 -0.773 16.469 1.00 11.13 H new ATOM 388 N GLN A 27 14.759 -2.868 12.452 1.00 43.14 N ATOM 389 CA GLN A 27 14.710 -3.518 11.148 1.00 70.43 C ATOM 390 C GLN A 27 13.269 -3.715 10.692 1.00 74.33 C ATOM 391 O GLN A 27 12.934 -3.472 9.532 1.00 70.11 O ATOM 392 CB GLN A 27 15.431 -4.866 11.198 1.00 60.33 C ATOM 393 CG GLN A 27 16.856 -4.775 11.720 1.00 35.01 C ATOM 394 CD GLN A 27 17.656 -3.678 11.043 1.00 64.11 C ATOM 395 OE1 GLN A 27 18.371 -3.925 10.072 1.00 33.13 O ATOM 396 NE2 GLN A 27 17.540 -2.459 11.554 1.00 31.11 N ATOM 0 H GLN A 27 15.230 -3.410 13.176 1.00 43.14 H new ATOM 0 HA GLN A 27 15.214 -2.872 10.429 1.00 70.43 H new ATOM 0 HB2 GLN A 27 14.864 -5.549 11.831 1.00 60.33 H new ATOM 0 HB3 GLN A 27 15.446 -5.298 10.197 1.00 60.33 H new ATOM 0 HG2 GLN A 27 16.835 -4.594 12.795 1.00 35.01 H new ATOM 0 HG3 GLN A 27 17.357 -5.731 11.568 1.00 35.01 H new ATOM 0 HE21 GLN A 27 16.936 -2.299 12.360 1.00 31.11 H new ATOM 0 HE22 GLN A 27 18.055 -1.682 11.141 1.00 31.11 H new ATOM 405 N LYS A 28 12.418 -4.159 11.611 1.00 33.40 N ATOM 406 CA LYS A 28 11.011 -4.389 11.305 1.00 0.31 C ATOM 407 C LYS A 28 10.291 -3.072 11.032 1.00 73.13 C ATOM 408 O LYS A 28 9.272 -3.044 10.344 1.00 33.23 O ATOM 409 CB LYS A 28 10.331 -5.124 12.462 1.00 10.45 C ATOM 410 CG LYS A 28 10.835 -6.542 12.662 1.00 2.22 C ATOM 411 CD LYS A 28 10.629 -7.011 14.094 1.00 53.25 C ATOM 412 CE LYS A 28 11.628 -8.091 14.476 1.00 14.30 C ATOM 413 NZ LYS A 28 11.040 -9.082 15.420 1.00 1.02 N ATOM 0 H LYS A 28 12.679 -4.367 12.575 1.00 33.40 H new ATOM 0 HA LYS A 28 10.956 -5.005 10.408 1.00 0.31 H new ATOM 0 HB2 LYS A 28 10.486 -4.559 13.381 1.00 10.45 H new ATOM 0 HB3 LYS A 28 9.256 -5.151 12.282 1.00 10.45 H new ATOM 0 HG2 LYS A 28 10.314 -7.214 11.980 1.00 2.22 H new ATOM 0 HG3 LYS A 28 11.895 -6.591 12.411 1.00 2.22 H new ATOM 0 HD2 LYS A 28 10.729 -6.164 14.773 1.00 53.25 H new ATOM 0 HD3 LYS A 28 9.615 -7.394 14.210 1.00 53.25 H new ATOM 0 HE2 LYS A 28 11.970 -8.604 13.577 1.00 14.30 H new ATOM 0 HE3 LYS A 28 12.504 -7.630 14.932 1.00 14.30 H new ATOM 0 HZ1 LYS A 28 11.753 -9.802 15.656 1.00 1.02 H new ATOM 0 HZ2 LYS A 28 10.737 -8.597 16.289 1.00 1.02 H new ATOM 0 HZ3 LYS A 28 10.219 -9.540 14.975 1.00 1.02 H new ATOM 427 N GLN A 29 10.830 -1.985 11.575 1.00 54.00 N ATOM 428 CA GLN A 29 10.238 -0.665 11.386 1.00 31.22 C ATOM 429 C GLN A 29 10.744 -0.019 10.101 1.00 50.15 C ATOM 430 O GLN A 29 10.044 0.781 9.481 1.00 72.44 O ATOM 431 CB GLN A 29 10.556 0.233 12.583 1.00 30.00 C ATOM 432 CG GLN A 29 9.524 0.153 13.696 1.00 61.43 C ATOM 433 CD GLN A 29 9.464 1.418 14.529 1.00 52.42 C ATOM 434 OE1 GLN A 29 10.290 2.318 14.373 1.00 3.31 O ATOM 435 NE2 GLN A 29 8.484 1.493 15.422 1.00 52.22 N ATOM 0 H GLN A 29 11.674 -1.992 12.148 1.00 54.00 H new ATOM 0 HA GLN A 29 9.158 -0.786 11.307 1.00 31.22 H new ATOM 0 HB2 GLN A 29 11.532 -0.042 12.983 1.00 30.00 H new ATOM 0 HB3 GLN A 29 10.631 1.266 12.242 1.00 30.00 H new ATOM 0 HG2 GLN A 29 8.542 -0.039 13.263 1.00 61.43 H new ATOM 0 HG3 GLN A 29 9.758 -0.693 14.343 1.00 61.43 H new ATOM 0 HE21 GLN A 29 7.821 0.724 15.518 1.00 52.22 H new ATOM 0 HE22 GLN A 29 8.394 2.320 16.012 1.00 52.22 H new ATOM 444 N ILE A 30 11.963 -0.371 9.708 1.00 2.02 N ATOM 445 CA ILE A 30 12.562 0.173 8.496 1.00 13.22 C ATOM 446 C ILE A 30 12.477 -0.822 7.345 1.00 11.13 C ATOM 447 O ILE A 30 13.226 -0.729 6.372 1.00 22.43 O ATOM 448 CB ILE A 30 14.037 0.558 8.721 1.00 43.52 C ATOM 449 CG1 ILE A 30 14.861 -0.682 9.073 1.00 24.21 C ATOM 450 CG2 ILE A 30 14.149 1.606 9.818 1.00 14.42 C ATOM 451 CD1 ILE A 30 15.630 -1.250 7.901 1.00 63.02 C ATOM 0 H ILE A 30 12.556 -1.031 10.212 1.00 2.02 H new ATOM 0 HA ILE A 30 11.996 1.069 8.239 1.00 13.22 H new ATOM 0 HB ILE A 30 14.432 0.984 7.799 1.00 43.52 H new ATOM 0 HG12 ILE A 30 15.562 -0.429 9.868 1.00 24.21 H new ATOM 0 HG13 ILE A 30 14.196 -1.450 9.467 1.00 24.21 H new ATOM 0 HG21 ILE A 30 15.197 1.868 9.965 1.00 14.42 H new ATOM 0 HG22 ILE A 30 13.590 2.496 9.529 1.00 14.42 H new ATOM 0 HG23 ILE A 30 13.741 1.206 10.746 1.00 14.42 H new ATOM 0 HD11 ILE A 30 16.191 -2.127 8.224 1.00 63.02 H new ATOM 0 HD12 ILE A 30 14.933 -1.535 7.113 1.00 63.02 H new ATOM 0 HD13 ILE A 30 16.321 -0.498 7.520 1.00 63.02 H new ATOM 463 N LEU A 31 11.559 -1.776 7.462 1.00 64.14 N ATOM 464 CA LEU A 31 11.374 -2.791 6.429 1.00 21.12 C ATOM 465 C LEU A 31 10.322 -2.350 5.416 1.00 14.43 C ATOM 466 O LEU A 31 9.441 -1.551 5.729 1.00 1.54 O ATOM 467 CB LEU A 31 10.965 -4.122 7.062 1.00 41.11 C ATOM 468 CG LEU A 31 11.584 -5.376 6.444 1.00 20.21 C ATOM 469 CD1 LEU A 31 11.764 -6.457 7.499 1.00 40.33 C ATOM 470 CD2 LEU A 31 10.723 -5.886 5.298 1.00 12.21 C ATOM 0 H LEU A 31 10.932 -1.868 8.261 1.00 64.14 H new ATOM 0 HA LEU A 31 12.322 -2.921 5.907 1.00 21.12 H new ATOM 0 HB2 LEU A 31 11.228 -4.095 8.120 1.00 41.11 H new ATOM 0 HB3 LEU A 31 9.880 -4.211 7.005 1.00 41.11 H new ATOM 0 HG LEU A 31 12.565 -5.116 6.047 1.00 20.21 H new ATOM 0 HD11 LEU A 31 12.206 -7.342 7.041 1.00 40.33 H new ATOM 0 HD12 LEU A 31 12.421 -6.090 8.288 1.00 40.33 H new ATOM 0 HD13 LEU A 31 10.794 -6.714 7.925 1.00 40.33 H new ATOM 0 HD21 LEU A 31 11.179 -6.779 4.870 1.00 12.21 H new ATOM 0 HD22 LEU A 31 9.728 -6.129 5.671 1.00 12.21 H new ATOM 0 HD23 LEU A 31 10.645 -5.115 4.531 1.00 12.21 H new ATOM 482 N SER A 32 10.419 -2.881 4.202 1.00 11.55 N ATOM 483 CA SER A 32 9.476 -2.542 3.142 1.00 52.24 C ATOM 484 C SER A 32 9.459 -3.621 2.064 1.00 35.45 C ATOM 485 O SER A 32 10.410 -4.389 1.923 1.00 30.51 O ATOM 486 CB SER A 32 9.838 -1.192 2.521 1.00 52.12 C ATOM 487 OG SER A 32 9.477 -1.147 1.151 1.00 54.11 O ATOM 0 H SER A 32 11.141 -3.548 3.927 1.00 11.55 H new ATOM 0 HA SER A 32 8.481 -2.477 3.582 1.00 52.24 H new ATOM 0 HB2 SER A 32 9.330 -0.392 3.060 1.00 52.12 H new ATOM 0 HB3 SER A 32 10.909 -1.016 2.624 1.00 52.12 H new ATOM 0 HG SER A 32 9.717 -0.273 0.778 1.00 54.11 H new ATOM 493 N GLY A 33 8.369 -3.675 1.305 1.00 1.31 N ATOM 494 CA GLY A 33 8.247 -4.663 0.250 1.00 55.30 C ATOM 495 C GLY A 33 9.255 -4.452 -0.862 1.00 2.44 C ATOM 496 O GLY A 33 9.695 -5.407 -1.503 1.00 22.34 O ATOM 0 H GLY A 33 7.568 -3.051 1.402 1.00 1.31 H new ATOM 0 HA2 GLY A 33 8.380 -5.659 0.672 1.00 55.30 H new ATOM 0 HA3 GLY A 33 7.240 -4.624 -0.165 1.00 55.30 H new ATOM 500 N THR A 34 9.623 -3.195 -1.095 1.00 51.35 N ATOM 501 CA THR A 34 10.582 -2.861 -2.139 1.00 3.10 C ATOM 502 C THR A 34 11.973 -2.642 -1.557 1.00 64.01 C ATOM 503 O THR A 34 12.705 -1.749 -1.987 1.00 73.14 O ATOM 504 CB THR A 34 10.156 -1.597 -2.911 1.00 42.35 C ATOM 505 OG1 THR A 34 10.305 -0.442 -2.079 1.00 2.24 O ATOM 506 CG2 THR A 34 8.713 -1.710 -3.377 1.00 32.33 C ATOM 0 H THR A 34 9.270 -2.392 -0.574 1.00 51.35 H new ATOM 0 HA THR A 34 10.607 -3.706 -2.827 1.00 3.10 H new ATOM 0 HB THR A 34 10.798 -1.498 -3.787 1.00 42.35 H new ATOM 0 HG1 THR A 34 10.034 0.357 -2.577 1.00 2.24 H new ATOM 0 HG21 THR A 34 8.434 -0.807 -3.919 1.00 32.33 H new ATOM 0 HG22 THR A 34 8.609 -2.574 -4.033 1.00 32.33 H new ATOM 0 HG23 THR A 34 8.060 -1.830 -2.513 1.00 32.33 H new ATOM 514 N THR A 35 12.336 -3.461 -0.574 1.00 44.01 N ATOM 515 CA THR A 35 13.640 -3.356 0.067 1.00 42.43 C ATOM 516 C THR A 35 14.383 -4.686 0.024 1.00 0.31 C ATOM 517 O THR A 35 14.043 -5.622 0.747 1.00 42.14 O ATOM 518 CB THR A 35 13.509 -2.902 1.534 1.00 23.32 C ATOM 519 OG1 THR A 35 12.883 -1.616 1.594 1.00 14.23 O ATOM 520 CG2 THR A 35 14.872 -2.840 2.204 1.00 52.31 C ATOM 0 H THR A 35 11.744 -4.205 -0.205 1.00 44.01 H new ATOM 0 HA THR A 35 14.206 -2.609 -0.489 1.00 42.43 H new ATOM 0 HB THR A 35 12.894 -3.630 2.064 1.00 23.32 H new ATOM 0 HG1 THR A 35 13.000 -1.237 2.490 1.00 14.23 H new ATOM 0 HG21 THR A 35 14.755 -2.517 3.238 1.00 52.31 H new ATOM 0 HG22 THR A 35 15.333 -3.827 2.182 1.00 52.31 H new ATOM 0 HG23 THR A 35 15.507 -2.131 1.673 1.00 52.31 H new ATOM 528 N ASN A 36 15.399 -4.764 -0.830 1.00 22.34 N ATOM 529 CA ASN A 36 16.191 -5.980 -0.967 1.00 3.42 C ATOM 530 C ASN A 36 16.729 -6.434 0.385 1.00 24.22 C ATOM 531 O ASN A 36 17.681 -5.856 0.914 1.00 54.35 O ATOM 532 CB ASN A 36 17.349 -5.753 -1.940 1.00 23.01 C ATOM 533 CG ASN A 36 17.948 -7.053 -2.441 1.00 71.14 C ATOM 534 OD1 ASN A 36 17.679 -8.123 -1.896 1.00 42.21 O ATOM 535 ND2 ASN A 36 18.766 -6.964 -3.483 1.00 21.54 N ATOM 0 H ASN A 36 15.693 -3.999 -1.437 1.00 22.34 H new ATOM 0 HA ASN A 36 15.543 -6.763 -1.361 1.00 3.42 H new ATOM 0 HB2 ASN A 36 16.997 -5.168 -2.789 1.00 23.01 H new ATOM 0 HB3 ASN A 36 18.124 -5.165 -1.447 1.00 23.01 H new ATOM 0 HD21 ASN A 36 19.200 -7.805 -3.864 1.00 21.54 H new ATOM 0 HD22 ASN A 36 18.960 -6.055 -3.903 1.00 21.54 H new ATOM 542 N LEU A 37 16.118 -7.474 0.942 1.00 42.04 N ATOM 543 CA LEU A 37 16.536 -8.007 2.234 1.00 41.12 C ATOM 544 C LEU A 37 17.923 -8.635 2.141 1.00 34.43 C ATOM 545 O LEU A 37 18.553 -8.926 3.157 1.00 41.43 O ATOM 546 CB LEU A 37 15.527 -9.044 2.730 1.00 32.32 C ATOM 547 CG LEU A 37 14.052 -8.662 2.601 1.00 23.33 C ATOM 548 CD1 LEU A 37 13.161 -9.829 2.996 1.00 44.55 C ATOM 549 CD2 LEU A 37 13.741 -7.440 3.453 1.00 73.30 C ATOM 0 H LEU A 37 15.331 -7.965 0.519 1.00 42.04 H new ATOM 0 HA LEU A 37 16.578 -7.181 2.944 1.00 41.12 H new ATOM 0 HB2 LEU A 37 15.690 -9.972 2.181 1.00 32.32 H new ATOM 0 HB3 LEU A 37 15.737 -9.253 3.779 1.00 32.32 H new ATOM 0 HG LEU A 37 13.851 -8.415 1.559 1.00 23.33 H new ATOM 0 HD11 LEU A 37 12.115 -9.538 2.898 1.00 44.55 H new ATOM 0 HD12 LEU A 37 13.364 -10.679 2.344 1.00 44.55 H new ATOM 0 HD13 LEU A 37 13.364 -10.108 4.030 1.00 44.55 H new ATOM 0 HD21 LEU A 37 12.687 -7.183 3.349 1.00 73.30 H new ATOM 0 HD22 LEU A 37 13.959 -7.660 4.498 1.00 73.30 H new ATOM 0 HD23 LEU A 37 14.354 -6.601 3.123 1.00 73.30 H new ATOM 561 N ALA A 38 18.393 -8.838 0.914 1.00 11.43 N ATOM 562 CA ALA A 38 19.707 -9.427 0.688 1.00 64.01 C ATOM 563 C ALA A 38 20.807 -8.376 0.801 1.00 74.52 C ATOM 564 O ALA A 38 21.816 -8.588 1.473 1.00 11.43 O ATOM 565 CB ALA A 38 19.757 -10.099 -0.676 1.00 72.25 C ATOM 0 H ALA A 38 17.883 -8.603 0.062 1.00 11.43 H new ATOM 0 HA ALA A 38 19.877 -10.179 1.459 1.00 64.01 H new ATOM 0 HB1 ALA A 38 20.744 -10.534 -0.831 1.00 72.25 H new ATOM 0 HB2 ALA A 38 19.003 -10.884 -0.723 1.00 72.25 H new ATOM 0 HB3 ALA A 38 19.560 -9.360 -1.453 1.00 72.25 H new ATOM 571 N LYS A 39 20.605 -7.241 0.140 1.00 24.43 N ATOM 572 CA LYS A 39 21.578 -6.156 0.166 1.00 74.40 C ATOM 573 C LYS A 39 21.372 -5.270 1.390 1.00 20.11 C ATOM 574 O LYS A 39 22.314 -4.993 2.133 1.00 33.41 O ATOM 575 CB LYS A 39 21.470 -5.316 -1.109 1.00 32.01 C ATOM 576 CG LYS A 39 22.784 -4.684 -1.534 1.00 13.31 C ATOM 577 CD LYS A 39 23.708 -5.702 -2.183 1.00 0.14 C ATOM 578 CE LYS A 39 23.315 -5.968 -3.628 1.00 0.24 C ATOM 579 NZ LYS A 39 23.895 -4.957 -4.556 1.00 32.20 N ATOM 0 H LYS A 39 19.775 -7.049 -0.421 1.00 24.43 H new ATOM 0 HA LYS A 39 22.574 -6.596 0.221 1.00 74.40 H new ATOM 0 HB2 LYS A 39 21.101 -5.945 -1.919 1.00 32.01 H new ATOM 0 HB3 LYS A 39 20.731 -4.529 -0.954 1.00 32.01 H new ATOM 0 HG2 LYS A 39 22.588 -3.871 -2.233 1.00 13.31 H new ATOM 0 HG3 LYS A 39 23.276 -4.246 -0.665 1.00 13.31 H new ATOM 0 HD2 LYS A 39 24.735 -5.339 -2.145 1.00 0.14 H new ATOM 0 HD3 LYS A 39 23.678 -6.634 -1.619 1.00 0.14 H new ATOM 0 HE2 LYS A 39 23.652 -6.963 -3.919 1.00 0.24 H new ATOM 0 HE3 LYS A 39 22.229 -5.961 -3.716 1.00 0.24 H new ATOM 0 HZ1 LYS A 39 23.604 -5.173 -5.531 1.00 32.20 H new ATOM 0 HZ2 LYS A 39 23.554 -4.010 -4.295 1.00 32.20 H new ATOM 0 HZ3 LYS A 39 24.933 -4.981 -4.491 1.00 32.20 H new ATOM 593 N ASP A 40 20.135 -4.830 1.595 1.00 63.34 N ATOM 594 CA ASP A 40 19.806 -3.978 2.732 1.00 12.34 C ATOM 595 C ASP A 40 20.328 -4.579 4.032 1.00 41.35 C ATOM 596 O ASP A 40 21.194 -4.003 4.691 1.00 11.14 O ATOM 597 CB ASP A 40 18.292 -3.774 2.821 1.00 60.32 C ATOM 598 CG ASP A 40 17.922 -2.485 3.529 1.00 10.42 C ATOM 599 OD1 ASP A 40 18.336 -1.408 3.053 1.00 43.03 O ATOM 600 OD2 ASP A 40 17.218 -2.555 4.558 1.00 22.23 O ATOM 0 H ASP A 40 19.344 -5.049 0.989 1.00 63.34 H new ATOM 0 HA ASP A 40 20.288 -3.012 2.582 1.00 12.34 H new ATOM 0 HB2 ASP A 40 17.870 -3.767 1.816 1.00 60.32 H new ATOM 0 HB3 ASP A 40 17.845 -4.616 3.349 1.00 60.32 H new ATOM 605 N PHE A 41 19.795 -5.741 4.397 1.00 51.23 N ATOM 606 CA PHE A 41 20.207 -6.420 5.621 1.00 55.34 C ATOM 607 C PHE A 41 21.533 -7.148 5.419 1.00 13.42 C ATOM 608 O PHE A 41 22.072 -7.746 6.348 1.00 4.32 O ATOM 609 CB PHE A 41 19.130 -7.411 6.066 1.00 32.53 C ATOM 610 CG PHE A 41 17.846 -6.754 6.485 1.00 72.32 C ATOM 611 CD1 PHE A 41 17.845 -5.756 7.445 1.00 12.33 C ATOM 612 CD2 PHE A 41 16.640 -7.134 5.917 1.00 73.13 C ATOM 613 CE1 PHE A 41 16.665 -5.150 7.833 1.00 51.15 C ATOM 614 CE2 PHE A 41 15.457 -6.531 6.300 1.00 63.51 C ATOM 615 CZ PHE A 41 15.470 -5.537 7.259 1.00 32.44 C ATOM 0 H PHE A 41 19.078 -6.232 3.863 1.00 51.23 H new ATOM 0 HA PHE A 41 20.341 -5.667 6.398 1.00 55.34 H new ATOM 0 HB2 PHE A 41 18.925 -8.103 5.249 1.00 32.53 H new ATOM 0 HB3 PHE A 41 19.514 -8.003 6.897 1.00 32.53 H new ATOM 0 HD1 PHE A 41 18.777 -5.448 7.896 1.00 12.33 H new ATOM 0 HD2 PHE A 41 16.625 -7.910 5.166 1.00 73.13 H new ATOM 0 HE1 PHE A 41 16.677 -4.374 8.584 1.00 51.15 H new ATOM 0 HE2 PHE A 41 14.524 -6.836 5.850 1.00 63.51 H new ATOM 0 HZ PHE A 41 14.547 -5.063 7.559 1.00 32.44 H new ATOM 625 N ASN A 42 22.051 -7.093 4.196 1.00 62.01 N ATOM 626 CA ASN A 42 23.312 -7.748 3.870 1.00 43.41 C ATOM 627 C ASN A 42 23.288 -9.215 4.289 1.00 32.20 C ATOM 628 O ASN A 42 24.258 -9.729 4.846 1.00 14.03 O ATOM 629 CB ASN A 42 24.476 -7.030 4.558 1.00 74.50 C ATOM 630 CG ASN A 42 25.727 -7.004 3.701 1.00 43.04 C ATOM 631 OD1 ASN A 42 25.672 -6.684 2.514 1.00 64.32 O ATOM 632 ND2 ASN A 42 26.863 -7.342 4.301 1.00 71.31 N ATOM 0 H ASN A 42 21.617 -6.602 3.415 1.00 62.01 H new ATOM 0 HA ASN A 42 23.449 -7.699 2.790 1.00 43.41 H new ATOM 0 HB2 ASN A 42 24.180 -6.008 4.795 1.00 74.50 H new ATOM 0 HB3 ASN A 42 24.697 -7.525 5.504 1.00 74.50 H new ATOM 0 HD21 ASN A 42 27.737 -7.343 3.775 1.00 71.31 H new ATOM 0 HD22 ASN A 42 26.861 -7.600 5.288 1.00 71.31 H new ATOM 639 N LEU A 43 22.174 -9.884 4.015 1.00 0.14 N ATOM 640 CA LEU A 43 22.021 -11.292 4.362 1.00 4.12 C ATOM 641 C LEU A 43 23.156 -12.124 3.773 1.00 55.50 C ATOM 642 O LEU A 43 23.664 -11.823 2.692 1.00 12.51 O ATOM 643 CB LEU A 43 20.676 -11.819 3.859 1.00 2.23 C ATOM 644 CG LEU A 43 19.452 -11.436 4.693 1.00 32.43 C ATOM 645 CD1 LEU A 43 18.176 -11.923 4.022 1.00 22.23 C ATOM 646 CD2 LEU A 43 19.566 -12.003 6.100 1.00 61.35 C ATOM 0 H LEU A 43 21.363 -9.474 3.553 1.00 0.14 H new ATOM 0 HA LEU A 43 22.056 -11.378 5.448 1.00 4.12 H new ATOM 0 HB2 LEU A 43 20.525 -11.459 2.841 1.00 2.23 H new ATOM 0 HB3 LEU A 43 20.730 -12.906 3.808 1.00 2.23 H new ATOM 0 HG LEU A 43 19.410 -10.349 4.764 1.00 32.43 H new ATOM 0 HD11 LEU A 43 17.316 -11.642 4.629 1.00 22.23 H new ATOM 0 HD12 LEU A 43 18.088 -11.469 3.035 1.00 22.23 H new ATOM 0 HD13 LEU A 43 18.209 -13.008 3.921 1.00 22.23 H new ATOM 0 HD21 LEU A 43 18.687 -11.720 6.679 1.00 61.35 H new ATOM 0 HD22 LEU A 43 19.634 -13.090 6.050 1.00 61.35 H new ATOM 0 HD23 LEU A 43 20.460 -11.606 6.581 1.00 61.35 H new ATOM 658 N ASP A 44 23.551 -13.170 4.491 1.00 13.11 N ATOM 659 CA ASP A 44 24.624 -14.047 4.039 1.00 72.53 C ATOM 660 C ASP A 44 24.096 -15.094 3.065 1.00 75.24 C ATOM 661 O ASP A 44 22.911 -15.426 3.077 1.00 40.44 O ATOM 662 CB ASP A 44 25.289 -14.733 5.234 1.00 51.15 C ATOM 663 CG ASP A 44 26.670 -15.263 4.903 1.00 21.20 C ATOM 664 OD1 ASP A 44 26.758 -16.339 4.277 1.00 30.42 O ATOM 665 OD2 ASP A 44 27.663 -14.600 5.269 1.00 63.34 O ATOM 0 H ASP A 44 23.144 -13.431 5.389 1.00 13.11 H new ATOM 0 HA ASP A 44 25.365 -13.437 3.522 1.00 72.53 H new ATOM 0 HB2 ASP A 44 25.363 -14.026 6.060 1.00 51.15 H new ATOM 0 HB3 ASP A 44 24.659 -15.555 5.574 1.00 51.15 H new ATOM 670 N SER A 45 24.984 -15.611 2.221 1.00 65.32 N ATOM 671 CA SER A 45 24.606 -16.619 1.236 1.00 60.12 C ATOM 672 C SER A 45 23.933 -17.811 1.908 1.00 31.24 C ATOM 673 O SER A 45 23.125 -18.511 1.296 1.00 40.22 O ATOM 674 CB SER A 45 25.836 -17.086 0.456 1.00 63.42 C ATOM 675 OG SER A 45 26.964 -17.202 1.305 1.00 12.42 O ATOM 0 H SER A 45 25.969 -15.349 2.199 1.00 65.32 H new ATOM 0 HA SER A 45 23.896 -16.166 0.544 1.00 60.12 H new ATOM 0 HB2 SER A 45 25.629 -18.048 -0.013 1.00 63.42 H new ATOM 0 HB3 SER A 45 26.052 -16.380 -0.346 1.00 63.42 H new ATOM 0 HG SER A 45 27.737 -17.503 0.783 1.00 12.42 H new ATOM 681 N LEU A 46 24.270 -18.037 3.173 1.00 71.33 N ATOM 682 CA LEU A 46 23.699 -19.145 3.932 1.00 25.25 C ATOM 683 C LEU A 46 22.245 -18.864 4.295 1.00 62.14 C ATOM 684 O LEU A 46 21.370 -19.704 4.088 1.00 62.33 O ATOM 685 CB LEU A 46 24.515 -19.392 5.202 1.00 13.24 C ATOM 686 CG LEU A 46 26.013 -19.627 5.003 1.00 31.11 C ATOM 687 CD1 LEU A 46 26.727 -19.679 6.344 1.00 42.14 C ATOM 688 CD2 LEU A 46 26.253 -20.907 4.217 1.00 75.23 C ATOM 0 H LEU A 46 24.936 -17.468 3.695 1.00 71.33 H new ATOM 0 HA LEU A 46 23.732 -20.037 3.307 1.00 25.25 H new ATOM 0 HB2 LEU A 46 24.387 -18.536 5.864 1.00 13.24 H new ATOM 0 HB3 LEU A 46 24.097 -20.258 5.716 1.00 13.24 H new ATOM 0 HG LEU A 46 26.420 -18.793 4.431 1.00 31.11 H new ATOM 0 HD11 LEU A 46 27.792 -19.847 6.183 1.00 42.14 H new ATOM 0 HD12 LEU A 46 26.584 -18.735 6.869 1.00 42.14 H new ATOM 0 HD13 LEU A 46 26.318 -20.493 6.943 1.00 42.14 H new ATOM 0 HD21 LEU A 46 27.324 -21.058 4.085 1.00 75.23 H new ATOM 0 HD22 LEU A 46 25.832 -21.752 4.761 1.00 75.23 H new ATOM 0 HD23 LEU A 46 25.775 -20.829 3.241 1.00 75.23 H new ATOM 700 N ASP A 47 21.994 -17.676 4.833 1.00 2.12 N ATOM 701 CA ASP A 47 20.644 -17.282 5.222 1.00 55.22 C ATOM 702 C ASP A 47 19.686 -17.383 4.039 1.00 62.23 C ATOM 703 O ASP A 47 18.605 -17.961 4.150 1.00 64.30 O ATOM 704 CB ASP A 47 20.645 -15.855 5.771 1.00 35.55 C ATOM 705 CG ASP A 47 20.177 -15.789 7.212 1.00 1.24 C ATOM 706 OD1 ASP A 47 20.809 -16.440 8.072 1.00 22.24 O ATOM 707 OD2 ASP A 47 19.181 -15.086 7.481 1.00 73.34 O ATOM 0 H ASP A 47 22.707 -16.969 5.010 1.00 2.12 H new ATOM 0 HA ASP A 47 20.304 -17.964 6.002 1.00 55.22 H new ATOM 0 HB2 ASP A 47 21.651 -15.442 5.699 1.00 35.55 H new ATOM 0 HB3 ASP A 47 19.999 -15.231 5.153 1.00 35.55 H new ATOM 712 N PHE A 48 20.091 -16.818 2.906 1.00 64.30 N ATOM 713 CA PHE A 48 19.269 -16.843 1.702 1.00 64.44 C ATOM 714 C PHE A 48 18.855 -18.271 1.356 1.00 11.41 C ATOM 715 O PHE A 48 17.710 -18.524 0.981 1.00 74.22 O ATOM 716 CB PHE A 48 20.025 -16.221 0.527 1.00 22.22 C ATOM 717 CG PHE A 48 19.128 -15.735 -0.575 1.00 52.44 C ATOM 718 CD1 PHE A 48 18.545 -14.480 -0.508 1.00 63.45 C ATOM 719 CD2 PHE A 48 18.868 -16.533 -1.676 1.00 12.05 C ATOM 720 CE1 PHE A 48 17.720 -14.029 -1.520 1.00 14.24 C ATOM 721 CE2 PHE A 48 18.043 -16.088 -2.692 1.00 10.41 C ATOM 722 CZ PHE A 48 17.467 -14.835 -2.614 1.00 43.02 C ATOM 0 H PHE A 48 20.984 -16.337 2.797 1.00 64.30 H new ATOM 0 HA PHE A 48 18.370 -16.258 1.895 1.00 64.44 H new ATOM 0 HB2 PHE A 48 20.623 -15.386 0.892 1.00 22.22 H new ATOM 0 HB3 PHE A 48 20.719 -16.957 0.121 1.00 22.22 H new ATOM 0 HD1 PHE A 48 18.738 -13.847 0.345 1.00 63.45 H new ATOM 0 HD2 PHE A 48 19.315 -17.514 -1.742 1.00 12.05 H new ATOM 0 HE1 PHE A 48 17.273 -13.048 -1.456 1.00 14.24 H new ATOM 0 HE2 PHE A 48 17.849 -16.720 -3.546 1.00 10.41 H new ATOM 0 HZ PHE A 48 16.821 -14.486 -3.406 1.00 43.02 H new ATOM 732 N VAL A 49 19.795 -19.202 1.485 1.00 31.14 N ATOM 733 CA VAL A 49 19.530 -20.604 1.187 1.00 4.02 C ATOM 734 C VAL A 49 18.385 -21.140 2.039 1.00 75.11 C ATOM 735 O VAL A 49 17.408 -21.676 1.518 1.00 13.45 O ATOM 736 CB VAL A 49 20.780 -21.473 1.420 1.00 23.20 C ATOM 737 CG1 VAL A 49 20.458 -22.942 1.191 1.00 42.05 C ATOM 738 CG2 VAL A 49 21.919 -21.020 0.519 1.00 40.22 C ATOM 0 H VAL A 49 20.748 -19.010 1.794 1.00 31.14 H new ATOM 0 HA VAL A 49 19.251 -20.657 0.135 1.00 4.02 H new ATOM 0 HB VAL A 49 21.098 -21.353 2.456 1.00 23.20 H new ATOM 0 HG11 VAL A 49 21.353 -23.541 1.360 1.00 42.05 H new ATOM 0 HG12 VAL A 49 19.676 -23.255 1.882 1.00 42.05 H new ATOM 0 HG13 VAL A 49 20.115 -23.084 0.166 1.00 42.05 H new ATOM 0 HG21 VAL A 49 22.794 -21.645 0.697 1.00 40.22 H new ATOM 0 HG22 VAL A 49 21.615 -21.109 -0.524 1.00 40.22 H new ATOM 0 HG23 VAL A 49 22.165 -19.981 0.738 1.00 40.22 H new ATOM 748 N ASP A 50 18.513 -20.989 3.353 1.00 22.50 N ATOM 749 CA ASP A 50 17.487 -21.457 4.279 1.00 13.12 C ATOM 750 C ASP A 50 16.167 -20.733 4.039 1.00 71.13 C ATOM 751 O ASP A 50 15.092 -21.278 4.296 1.00 54.43 O ATOM 752 CB ASP A 50 17.943 -21.248 5.725 1.00 0.42 C ATOM 753 CG ASP A 50 18.921 -22.311 6.183 1.00 65.22 C ATOM 754 OD1 ASP A 50 19.112 -23.300 5.444 1.00 24.13 O ATOM 755 OD2 ASP A 50 19.497 -22.155 7.281 1.00 60.22 O ATOM 0 H ASP A 50 19.316 -20.547 3.801 1.00 22.50 H new ATOM 0 HA ASP A 50 17.333 -22.522 4.105 1.00 13.12 H new ATOM 0 HB2 ASP A 50 18.408 -20.267 5.818 1.00 0.42 H new ATOM 0 HB3 ASP A 50 17.073 -21.252 6.381 1.00 0.42 H new ATOM 760 N LEU A 51 16.255 -19.503 3.546 1.00 21.14 N ATOM 761 CA LEU A 51 15.066 -18.702 3.271 1.00 73.32 C ATOM 762 C LEU A 51 14.243 -19.318 2.144 1.00 12.04 C ATOM 763 O LEU A 51 13.071 -19.650 2.328 1.00 41.05 O ATOM 764 CB LEU A 51 15.464 -17.271 2.904 1.00 42.44 C ATOM 765 CG LEU A 51 15.512 -16.271 4.060 1.00 31.31 C ATOM 766 CD1 LEU A 51 16.102 -14.948 3.596 1.00 12.25 C ATOM 767 CD2 LEU A 51 14.122 -16.063 4.644 1.00 62.45 C ATOM 0 H LEU A 51 17.136 -19.038 3.328 1.00 21.14 H new ATOM 0 HA LEU A 51 14.455 -18.682 4.173 1.00 73.32 H new ATOM 0 HB2 LEU A 51 16.446 -17.298 2.432 1.00 42.44 H new ATOM 0 HB3 LEU A 51 14.762 -16.900 2.158 1.00 42.44 H new ATOM 0 HG LEU A 51 16.154 -16.678 4.841 1.00 31.31 H new ATOM 0 HD11 LEU A 51 16.128 -14.248 4.431 1.00 12.25 H new ATOM 0 HD12 LEU A 51 17.115 -15.111 3.227 1.00 12.25 H new ATOM 0 HD13 LEU A 51 15.486 -14.535 2.797 1.00 12.25 H new ATOM 0 HD21 LEU A 51 14.176 -15.348 5.465 1.00 62.45 H new ATOM 0 HD22 LEU A 51 13.456 -15.678 3.871 1.00 62.45 H new ATOM 0 HD23 LEU A 51 13.737 -17.013 5.014 1.00 62.45 H new ATOM 779 N ILE A 52 14.864 -19.471 0.980 1.00 42.41 N ATOM 780 CA ILE A 52 14.190 -20.049 -0.175 1.00 64.52 C ATOM 781 C ILE A 52 13.739 -21.478 0.110 1.00 62.04 C ATOM 782 O ILE A 52 12.656 -21.892 -0.303 1.00 73.21 O ATOM 783 CB ILE A 52 15.102 -20.050 -1.417 1.00 52.01 C ATOM 784 CG1 ILE A 52 16.422 -20.758 -1.107 1.00 60.25 C ATOM 785 CG2 ILE A 52 15.355 -18.626 -1.888 1.00 40.14 C ATOM 786 CD1 ILE A 52 17.419 -20.702 -2.244 1.00 45.42 C ATOM 0 H ILE A 52 15.834 -19.202 0.812 1.00 42.41 H new ATOM 0 HA ILE A 52 13.317 -19.427 -0.375 1.00 64.52 H new ATOM 0 HB ILE A 52 14.601 -20.593 -2.218 1.00 52.01 H new ATOM 0 HG12 ILE A 52 16.868 -20.306 -0.221 1.00 60.25 H new ATOM 0 HG13 ILE A 52 16.218 -21.801 -0.865 1.00 60.25 H new ATOM 0 HG21 ILE A 52 16.001 -18.642 -2.766 1.00 40.14 H new ATOM 0 HG22 ILE A 52 14.407 -18.153 -2.144 1.00 40.14 H new ATOM 0 HG23 ILE A 52 15.839 -18.060 -1.092 1.00 40.14 H new ATOM 0 HD11 ILE A 52 18.331 -21.224 -1.954 1.00 45.42 H new ATOM 0 HD12 ILE A 52 16.992 -21.180 -3.126 1.00 45.42 H new ATOM 0 HD13 ILE A 52 17.653 -19.662 -2.472 1.00 45.42 H new ATOM 798 N MET A 53 14.575 -22.226 0.822 1.00 51.11 N ATOM 799 CA MET A 53 14.260 -23.607 1.167 1.00 32.40 C ATOM 800 C MET A 53 13.099 -23.670 2.153 1.00 13.42 C ATOM 801 O MET A 53 12.219 -24.524 2.036 1.00 74.24 O ATOM 802 CB MET A 53 15.489 -24.299 1.762 1.00 44.13 C ATOM 803 CG MET A 53 16.563 -24.619 0.737 1.00 25.10 C ATOM 804 SD MET A 53 17.263 -26.266 0.954 1.00 72.30 S ATOM 805 CE MET A 53 15.809 -27.285 0.718 1.00 3.12 C ATOM 0 H MET A 53 15.476 -21.899 1.171 1.00 51.11 H new ATOM 0 HA MET A 53 13.966 -24.126 0.254 1.00 32.40 H new ATOM 0 HB2 MET A 53 15.916 -23.661 2.536 1.00 44.13 H new ATOM 0 HB3 MET A 53 15.176 -25.223 2.248 1.00 44.13 H new ATOM 0 HG2 MET A 53 16.140 -24.538 -0.264 1.00 25.10 H new ATOM 0 HG3 MET A 53 17.359 -23.878 0.808 1.00 25.10 H new ATOM 0 HE1 MET A 53 16.107 -28.260 0.331 1.00 3.12 H new ATOM 0 HE2 MET A 53 15.296 -27.414 1.671 1.00 3.12 H new ATOM 0 HE3 MET A 53 15.138 -26.802 0.007 1.00 3.12 H new ATOM 815 N SER A 54 13.101 -22.762 3.122 1.00 2.33 N ATOM 816 CA SER A 54 12.048 -22.717 4.131 1.00 62.54 C ATOM 817 C SER A 54 10.690 -22.454 3.487 1.00 44.30 C ATOM 818 O SER A 54 9.731 -23.193 3.711 1.00 20.01 O ATOM 819 CB SER A 54 12.352 -21.635 5.168 1.00 71.54 C ATOM 820 OG SER A 54 11.189 -21.289 5.900 1.00 73.12 O ATOM 0 H SER A 54 13.820 -22.047 3.231 1.00 2.33 H new ATOM 0 HA SER A 54 12.013 -23.686 4.628 1.00 62.54 H new ATOM 0 HB2 SER A 54 13.124 -21.989 5.852 1.00 71.54 H new ATOM 0 HB3 SER A 54 12.748 -20.750 4.670 1.00 71.54 H new ATOM 0 HG SER A 54 11.211 -20.333 6.116 1.00 73.12 H new ATOM 826 N LEU A 55 10.617 -21.396 2.687 1.00 14.25 N ATOM 827 CA LEU A 55 9.377 -21.034 2.010 1.00 10.24 C ATOM 828 C LEU A 55 8.993 -22.088 0.975 1.00 75.25 C ATOM 829 O LEU A 55 7.815 -22.389 0.791 1.00 71.11 O ATOM 830 CB LEU A 55 9.521 -19.669 1.336 1.00 41.14 C ATOM 831 CG LEU A 55 9.120 -18.458 2.180 1.00 21.31 C ATOM 832 CD1 LEU A 55 9.552 -17.168 1.501 1.00 72.20 C ATOM 833 CD2 LEU A 55 7.619 -18.455 2.429 1.00 42.13 C ATOM 0 H LEU A 55 11.402 -20.774 2.491 1.00 14.25 H new ATOM 0 HA LEU A 55 8.586 -20.981 2.758 1.00 10.24 H new ATOM 0 HB2 LEU A 55 10.560 -19.545 1.030 1.00 41.14 H new ATOM 0 HB3 LEU A 55 8.918 -19.669 0.428 1.00 41.14 H new ATOM 0 HG LEU A 55 9.628 -18.526 3.142 1.00 21.31 H new ATOM 0 HD11 LEU A 55 9.258 -16.317 2.116 1.00 72.20 H new ATOM 0 HD12 LEU A 55 10.635 -17.168 1.375 1.00 72.20 H new ATOM 0 HD13 LEU A 55 9.073 -17.093 0.525 1.00 72.20 H new ATOM 0 HD21 LEU A 55 7.352 -17.586 3.031 1.00 42.13 H new ATOM 0 HD22 LEU A 55 7.092 -18.412 1.476 1.00 42.13 H new ATOM 0 HD23 LEU A 55 7.336 -19.365 2.959 1.00 42.13 H new ATOM 845 N GLU A 56 9.997 -22.643 0.304 1.00 54.04 N ATOM 846 CA GLU A 56 9.765 -23.664 -0.710 1.00 2.32 C ATOM 847 C GLU A 56 9.022 -24.859 -0.120 1.00 62.44 C ATOM 848 O GLU A 56 8.001 -25.293 -0.653 1.00 54.25 O ATOM 849 CB GLU A 56 11.092 -24.124 -1.317 1.00 1.43 C ATOM 850 CG GLU A 56 10.936 -25.193 -2.385 1.00 42.31 C ATOM 851 CD GLU A 56 12.219 -25.961 -2.635 1.00 5.51 C ATOM 852 OE1 GLU A 56 13.024 -25.512 -3.477 1.00 14.34 O ATOM 853 OE2 GLU A 56 12.419 -27.010 -1.987 1.00 62.11 O ATOM 0 H GLU A 56 10.978 -22.403 0.444 1.00 54.04 H new ATOM 0 HA GLU A 56 9.148 -23.226 -1.494 1.00 2.32 H new ATOM 0 HB2 GLU A 56 11.602 -23.263 -1.749 1.00 1.43 H new ATOM 0 HB3 GLU A 56 11.732 -24.507 -0.522 1.00 1.43 H new ATOM 0 HG2 GLU A 56 10.153 -25.889 -2.085 1.00 42.31 H new ATOM 0 HG3 GLU A 56 10.609 -24.727 -3.315 1.00 42.31 H new ATOM 860 N GLU A 57 9.544 -25.387 0.983 1.00 54.50 N ATOM 861 CA GLU A 57 8.931 -26.533 1.645 1.00 24.33 C ATOM 862 C GLU A 57 7.628 -26.133 2.331 1.00 63.24 C ATOM 863 O GLU A 57 6.690 -26.926 2.416 1.00 51.32 O ATOM 864 CB GLU A 57 9.896 -27.134 2.669 1.00 70.42 C ATOM 865 CG GLU A 57 10.117 -26.252 3.888 1.00 45.51 C ATOM 866 CD GLU A 57 11.028 -26.895 4.916 1.00 41.40 C ATOM 867 OE1 GLU A 57 11.387 -28.078 4.731 1.00 54.44 O ATOM 868 OE2 GLU A 57 11.381 -26.217 5.903 1.00 54.52 O ATOM 0 H GLU A 57 10.389 -25.040 1.437 1.00 54.50 H new ATOM 0 HA GLU A 57 8.706 -27.281 0.885 1.00 24.33 H new ATOM 0 HB2 GLU A 57 9.511 -28.100 2.995 1.00 70.42 H new ATOM 0 HB3 GLU A 57 10.856 -27.319 2.186 1.00 70.42 H new ATOM 0 HG2 GLU A 57 10.547 -25.302 3.571 1.00 45.51 H new ATOM 0 HG3 GLU A 57 9.155 -26.029 4.350 1.00 45.51 H new ATOM 875 N ARG A 58 7.578 -24.897 2.817 1.00 53.32 N ATOM 876 CA ARG A 58 6.391 -24.391 3.497 1.00 13.33 C ATOM 877 C ARG A 58 5.170 -24.468 2.587 1.00 74.53 C ATOM 878 O ARG A 58 4.183 -25.132 2.908 1.00 31.54 O ATOM 879 CB ARG A 58 6.613 -22.947 3.949 1.00 54.15 C ATOM 880 CG ARG A 58 5.422 -22.348 4.680 1.00 74.42 C ATOM 881 CD ARG A 58 5.576 -22.471 6.188 1.00 52.45 C ATOM 882 NE ARG A 58 5.208 -23.799 6.670 1.00 53.44 N ATOM 883 CZ ARG A 58 5.522 -24.257 7.876 1.00 23.30 C ATOM 884 NH1 ARG A 58 6.206 -23.497 8.720 1.00 42.21 N ATOM 885 NH2 ARG A 58 5.152 -25.478 8.242 1.00 23.43 N ATOM 0 H ARG A 58 8.345 -24.228 2.753 1.00 53.32 H new ATOM 0 HA ARG A 58 6.211 -25.015 4.372 1.00 13.33 H new ATOM 0 HB2 ARG A 58 7.485 -22.909 4.601 1.00 54.15 H new ATOM 0 HB3 ARG A 58 6.840 -22.333 3.077 1.00 54.15 H new ATOM 0 HG2 ARG A 58 5.317 -21.298 4.408 1.00 74.42 H new ATOM 0 HG3 ARG A 58 4.509 -22.852 4.364 1.00 74.42 H new ATOM 0 HD2 ARG A 58 6.608 -22.258 6.465 1.00 52.45 H new ATOM 0 HD3 ARG A 58 4.954 -21.722 6.678 1.00 52.45 H new ATOM 0 HE ARG A 58 4.680 -24.409 6.046 1.00 53.44 H new ATOM 0 HH11 ARG A 58 6.492 -22.558 8.443 1.00 42.21 H new ATOM 0 HH12 ARG A 58 6.446 -23.851 9.646 1.00 42.21 H new ATOM 0 HH21 ARG A 58 4.625 -26.066 7.596 1.00 23.43 H new ATOM 0 HH22 ARG A 58 5.394 -25.828 9.169 1.00 23.43 H new ATOM 899 N PHE A 59 5.241 -23.785 1.449 1.00 13.35 N ATOM 900 CA PHE A 59 4.141 -23.774 0.493 1.00 45.43 C ATOM 901 C PHE A 59 4.327 -24.860 -0.563 1.00 63.14 C ATOM 902 O PHE A 59 3.613 -24.895 -1.566 1.00 53.21 O ATOM 903 CB PHE A 59 4.035 -22.404 -0.181 1.00 45.14 C ATOM 904 CG PHE A 59 3.554 -21.319 0.739 1.00 12.43 C ATOM 905 CD1 PHE A 59 4.451 -20.604 1.516 1.00 75.51 C ATOM 906 CD2 PHE A 59 2.205 -21.015 0.827 1.00 71.35 C ATOM 907 CE1 PHE A 59 4.011 -19.604 2.364 1.00 32.52 C ATOM 908 CE2 PHE A 59 1.760 -20.016 1.672 1.00 62.10 C ATOM 909 CZ PHE A 59 2.665 -19.311 2.443 1.00 34.21 C ATOM 0 H PHE A 59 6.050 -23.232 1.167 1.00 13.35 H new ATOM 0 HA PHE A 59 3.218 -23.975 1.037 1.00 45.43 H new ATOM 0 HB2 PHE A 59 5.012 -22.127 -0.578 1.00 45.14 H new ATOM 0 HB3 PHE A 59 3.355 -22.477 -1.030 1.00 45.14 H new ATOM 0 HD1 PHE A 59 5.506 -20.830 1.459 1.00 75.51 H new ATOM 0 HD2 PHE A 59 1.493 -21.565 0.229 1.00 71.35 H new ATOM 0 HE1 PHE A 59 4.720 -19.053 2.964 1.00 32.52 H new ATOM 0 HE2 PHE A 59 0.706 -19.786 1.730 1.00 62.10 H new ATOM 0 HZ PHE A 59 2.319 -18.532 3.106 1.00 34.21 H new ATOM 919 N SER A 60 5.293 -25.743 -0.331 1.00 31.03 N ATOM 920 CA SER A 60 5.578 -26.827 -1.264 1.00 23.01 C ATOM 921 C SER A 60 5.767 -26.291 -2.680 1.00 74.45 C ATOM 922 O SER A 60 5.482 -26.980 -3.660 1.00 64.52 O ATOM 923 CB SER A 60 4.445 -27.857 -1.244 1.00 35.11 C ATOM 924 OG SER A 60 3.941 -28.033 0.069 1.00 74.33 O ATOM 0 H SER A 60 5.891 -25.729 0.495 1.00 31.03 H new ATOM 0 HA SER A 60 6.504 -27.309 -0.950 1.00 23.01 H new ATOM 0 HB2 SER A 60 3.642 -27.532 -1.905 1.00 35.11 H new ATOM 0 HB3 SER A 60 4.808 -28.810 -1.629 1.00 35.11 H new ATOM 0 HG SER A 60 3.218 -28.694 0.056 1.00 74.33 H new ATOM 930 N LEU A 61 6.249 -25.057 -2.778 1.00 21.40 N ATOM 931 CA LEU A 61 6.477 -24.426 -4.073 1.00 71.22 C ATOM 932 C LEU A 61 7.723 -24.996 -4.745 1.00 54.53 C ATOM 933 O LEU A 61 8.615 -25.519 -4.078 1.00 0.43 O ATOM 934 CB LEU A 61 6.621 -22.912 -3.907 1.00 74.25 C ATOM 935 CG LEU A 61 6.869 -22.116 -5.189 1.00 13.52 C ATOM 936 CD1 LEU A 61 5.720 -22.308 -6.167 1.00 25.20 C ATOM 937 CD2 LEU A 61 7.062 -20.641 -4.872 1.00 62.50 C ATOM 0 H LEU A 61 6.489 -24.474 -1.976 1.00 21.40 H new ATOM 0 HA LEU A 61 5.616 -24.635 -4.708 1.00 71.22 H new ATOM 0 HB2 LEU A 61 5.715 -22.531 -3.436 1.00 74.25 H new ATOM 0 HB3 LEU A 61 7.444 -22.719 -3.218 1.00 74.25 H new ATOM 0 HG LEU A 61 7.781 -22.489 -5.655 1.00 13.52 H new ATOM 0 HD11 LEU A 61 5.914 -21.734 -7.073 1.00 25.20 H new ATOM 0 HD12 LEU A 61 5.629 -23.365 -6.419 1.00 25.20 H new ATOM 0 HD13 LEU A 61 4.792 -21.963 -5.711 1.00 25.20 H new ATOM 0 HD21 LEU A 61 7.237 -20.090 -5.796 1.00 62.50 H new ATOM 0 HD22 LEU A 61 6.168 -20.254 -4.383 1.00 62.50 H new ATOM 0 HD23 LEU A 61 7.919 -20.520 -4.210 1.00 62.50 H new ATOM 949 N GLU A 62 7.777 -24.888 -6.068 1.00 64.11 N ATOM 950 CA GLU A 62 8.915 -25.392 -6.830 1.00 40.54 C ATOM 951 C GLU A 62 9.794 -24.244 -7.318 1.00 32.21 C ATOM 952 O GLU A 62 9.536 -23.655 -8.369 1.00 65.30 O ATOM 953 CB GLU A 62 8.432 -26.223 -8.021 1.00 3.23 C ATOM 954 CG GLU A 62 8.131 -27.669 -7.671 1.00 44.02 C ATOM 955 CD GLU A 62 7.832 -28.516 -8.895 1.00 2.22 C ATOM 956 OE1 GLU A 62 8.344 -28.182 -9.984 1.00 33.24 O ATOM 957 OE2 GLU A 62 7.088 -29.509 -8.762 1.00 32.41 O ATOM 0 H GLU A 62 7.047 -24.457 -6.635 1.00 64.11 H new ATOM 0 HA GLU A 62 9.509 -26.026 -6.172 1.00 40.54 H new ATOM 0 HB2 GLU A 62 7.534 -25.763 -8.434 1.00 3.23 H new ATOM 0 HB3 GLU A 62 9.191 -26.198 -8.803 1.00 3.23 H new ATOM 0 HG2 GLU A 62 8.981 -28.095 -7.138 1.00 44.02 H new ATOM 0 HG3 GLU A 62 7.279 -27.705 -6.992 1.00 44.02 H new ATOM 964 N ILE A 63 10.831 -23.931 -6.548 1.00 12.34 N ATOM 965 CA ILE A 63 11.747 -22.855 -6.902 1.00 13.42 C ATOM 966 C ILE A 63 13.037 -23.405 -7.500 1.00 50.35 C ATOM 967 O ILE A 63 13.542 -24.441 -7.067 1.00 1.03 O ATOM 968 CB ILE A 63 12.092 -21.984 -5.679 1.00 13.21 C ATOM 969 CG1 ILE A 63 10.815 -21.441 -5.035 1.00 12.13 C ATOM 970 CG2 ILE A 63 13.014 -20.844 -6.085 1.00 44.33 C ATOM 971 CD1 ILE A 63 11.041 -20.822 -3.674 1.00 31.30 C ATOM 0 H ILE A 63 11.057 -24.408 -5.675 1.00 12.34 H new ATOM 0 HA ILE A 63 11.239 -22.240 -7.645 1.00 13.42 H new ATOM 0 HB ILE A 63 12.611 -22.602 -4.946 1.00 13.21 H new ATOM 0 HG12 ILE A 63 10.373 -20.695 -5.696 1.00 12.13 H new ATOM 0 HG13 ILE A 63 10.092 -22.251 -4.941 1.00 12.13 H new ATOM 0 HG21 ILE A 63 13.249 -20.237 -5.211 1.00 44.33 H new ATOM 0 HG22 ILE A 63 13.935 -21.252 -6.502 1.00 44.33 H new ATOM 0 HG23 ILE A 63 12.520 -20.225 -6.834 1.00 44.33 H new ATOM 0 HD11 ILE A 63 10.093 -20.458 -3.278 1.00 31.30 H new ATOM 0 HD12 ILE A 63 11.454 -21.571 -2.998 1.00 31.30 H new ATOM 0 HD13 ILE A 63 11.739 -19.990 -3.764 1.00 31.30 H new ATOM 983 N SER A 64 13.566 -22.705 -8.499 1.00 62.12 N ATOM 984 CA SER A 64 14.797 -23.125 -9.159 1.00 24.42 C ATOM 985 C SER A 64 15.938 -22.165 -8.842 1.00 43.13 C ATOM 986 O SER A 64 15.801 -21.277 -7.998 1.00 51.43 O ATOM 987 CB SER A 64 14.587 -23.204 -10.672 1.00 11.30 C ATOM 988 OG SER A 64 13.371 -23.860 -10.985 1.00 62.42 O ATOM 0 H SER A 64 13.161 -21.845 -8.869 1.00 62.12 H new ATOM 0 HA SER A 64 15.063 -24.113 -8.784 1.00 24.42 H new ATOM 0 HB2 SER A 64 14.581 -22.199 -11.094 1.00 11.30 H new ATOM 0 HB3 SER A 64 15.420 -23.737 -11.130 1.00 11.30 H new ATOM 0 HG SER A 64 12.631 -23.219 -10.935 1.00 62.42 H new ATOM 994 N ASP A 65 17.064 -22.348 -9.522 1.00 62.34 N ATOM 995 CA ASP A 65 18.230 -21.498 -9.314 1.00 23.42 C ATOM 996 C ASP A 65 18.068 -20.166 -10.040 1.00 74.13 C ATOM 997 O ASP A 65 18.486 -19.122 -9.541 1.00 54.05 O ATOM 998 CB ASP A 65 19.498 -22.206 -9.798 1.00 52.11 C ATOM 999 CG ASP A 65 20.760 -21.575 -9.245 1.00 70.32 C ATOM 1000 OD1 ASP A 65 21.076 -21.818 -8.061 1.00 71.50 O ATOM 1001 OD2 ASP A 65 21.433 -20.838 -9.996 1.00 61.43 O ATOM 0 H ASP A 65 17.194 -23.078 -10.223 1.00 62.34 H new ATOM 0 HA ASP A 65 18.319 -21.301 -8.246 1.00 23.42 H new ATOM 0 HB2 ASP A 65 19.460 -23.255 -9.503 1.00 52.11 H new ATOM 0 HB3 ASP A 65 19.531 -22.182 -10.887 1.00 52.11 H new ATOM 1006 N GLU A 66 17.462 -20.212 -11.222 1.00 21.54 N ATOM 1007 CA GLU A 66 17.247 -19.009 -12.017 1.00 3.53 C ATOM 1008 C GLU A 66 16.116 -18.167 -11.435 1.00 44.45 C ATOM 1009 O GLU A 66 16.200 -16.939 -11.392 1.00 51.24 O ATOM 1010 CB GLU A 66 16.928 -19.379 -13.467 1.00 13.04 C ATOM 1011 CG GLU A 66 18.157 -19.473 -14.356 1.00 65.22 C ATOM 1012 CD GLU A 66 19.050 -20.645 -13.996 1.00 70.22 C ATOM 1013 OE1 GLU A 66 18.542 -21.785 -13.954 1.00 23.41 O ATOM 1014 OE2 GLU A 66 20.255 -20.422 -13.755 1.00 75.31 O ATOM 0 H GLU A 66 17.111 -21.069 -11.650 1.00 21.54 H new ATOM 0 HA GLU A 66 18.164 -18.420 -11.993 1.00 3.53 H new ATOM 0 HB2 GLU A 66 16.405 -20.335 -13.482 1.00 13.04 H new ATOM 0 HB3 GLU A 66 16.246 -18.636 -13.881 1.00 13.04 H new ATOM 0 HG2 GLU A 66 17.842 -19.567 -15.395 1.00 65.22 H new ATOM 0 HG3 GLU A 66 18.729 -18.548 -14.278 1.00 65.22 H new ATOM 1021 N ASP A 67 15.058 -18.836 -10.988 1.00 50.34 N ATOM 1022 CA ASP A 67 13.909 -18.150 -10.408 1.00 4.40 C ATOM 1023 C ASP A 67 14.345 -17.215 -9.285 1.00 63.04 C ATOM 1024 O ASP A 67 13.943 -16.052 -9.243 1.00 63.01 O ATOM 1025 CB ASP A 67 12.896 -19.166 -9.878 1.00 31.35 C ATOM 1026 CG ASP A 67 12.526 -20.209 -10.915 1.00 43.02 C ATOM 1027 OD1 ASP A 67 12.712 -19.942 -12.119 1.00 3.12 O ATOM 1028 OD2 ASP A 67 12.052 -21.295 -10.519 1.00 23.01 O ATOM 0 H ASP A 67 14.973 -19.852 -11.016 1.00 50.34 H new ATOM 0 HA ASP A 67 13.439 -17.554 -11.191 1.00 4.40 H new ATOM 0 HB2 ASP A 67 13.309 -19.662 -8.999 1.00 31.35 H new ATOM 0 HB3 ASP A 67 11.996 -18.643 -9.556 1.00 31.35 H new ATOM 1033 N ALA A 68 15.166 -17.730 -8.378 1.00 50.52 N ATOM 1034 CA ALA A 68 15.657 -16.940 -7.255 1.00 14.12 C ATOM 1035 C ALA A 68 16.646 -15.878 -7.722 1.00 75.14 C ATOM 1036 O ALA A 68 16.854 -14.871 -7.045 1.00 20.01 O ATOM 1037 CB ALA A 68 16.303 -17.845 -6.215 1.00 45.43 C ATOM 0 H ALA A 68 15.506 -18.691 -8.398 1.00 50.52 H new ATOM 0 HA ALA A 68 14.806 -16.432 -6.801 1.00 14.12 H new ATOM 0 HB1 ALA A 68 16.665 -17.242 -5.382 1.00 45.43 H new ATOM 0 HB2 ALA A 68 15.568 -18.563 -5.851 1.00 45.43 H new ATOM 0 HB3 ALA A 68 17.139 -18.379 -6.666 1.00 45.43 H new ATOM 1043 N GLN A 69 17.253 -16.110 -8.881 1.00 33.43 N ATOM 1044 CA GLN A 69 18.222 -15.173 -9.436 1.00 50.50 C ATOM 1045 C GLN A 69 17.593 -13.799 -9.644 1.00 42.43 C ATOM 1046 O GLN A 69 18.292 -12.789 -9.725 1.00 20.02 O ATOM 1047 CB GLN A 69 18.772 -15.701 -10.763 1.00 42.55 C ATOM 1048 CG GLN A 69 20.288 -15.652 -10.855 1.00 42.41 C ATOM 1049 CD GLN A 69 20.794 -14.376 -11.497 1.00 21.43 C ATOM 1050 OE1 GLN A 69 20.295 -13.952 -12.541 1.00 60.33 O ATOM 1051 NE2 GLN A 69 21.790 -13.754 -10.876 1.00 70.11 N ATOM 0 H GLN A 69 17.091 -16.938 -9.454 1.00 33.43 H new ATOM 0 HA GLN A 69 19.042 -15.074 -8.725 1.00 50.50 H new ATOM 0 HB2 GLN A 69 18.441 -16.730 -10.900 1.00 42.55 H new ATOM 0 HB3 GLN A 69 18.348 -15.118 -11.580 1.00 42.55 H new ATOM 0 HG2 GLN A 69 20.712 -15.743 -9.855 1.00 42.41 H new ATOM 0 HG3 GLN A 69 20.641 -16.508 -11.430 1.00 42.41 H new ATOM 0 HE21 GLN A 69 22.174 -14.140 -10.013 1.00 70.11 H new ATOM 0 HE22 GLN A 69 22.171 -12.890 -11.262 1.00 70.11 H new ATOM 1060 N LYS A 70 16.266 -13.767 -9.730 1.00 74.45 N ATOM 1061 CA LYS A 70 15.541 -12.518 -9.928 1.00 1.53 C ATOM 1062 C LYS A 70 14.797 -12.115 -8.659 1.00 1.43 C ATOM 1063 O LYS A 70 14.404 -10.959 -8.498 1.00 51.12 O ATOM 1064 CB LYS A 70 14.554 -12.656 -11.089 1.00 34.22 C ATOM 1065 CG LYS A 70 13.329 -13.487 -10.750 1.00 63.44 C ATOM 1066 CD LYS A 70 13.158 -14.648 -11.717 1.00 33.11 C ATOM 1067 CE LYS A 70 11.781 -15.281 -11.590 1.00 71.42 C ATOM 1068 NZ LYS A 70 11.585 -16.385 -12.569 1.00 44.31 N ATOM 0 H LYS A 70 15.671 -14.593 -9.665 1.00 74.45 H new ATOM 0 HA LYS A 70 16.266 -11.739 -10.166 1.00 1.53 H new ATOM 0 HB2 LYS A 70 14.233 -11.662 -11.402 1.00 34.22 H new ATOM 0 HB3 LYS A 70 15.066 -13.108 -11.938 1.00 34.22 H new ATOM 0 HG2 LYS A 70 13.417 -13.869 -9.733 1.00 63.44 H new ATOM 0 HG3 LYS A 70 12.441 -12.856 -10.777 1.00 63.44 H new ATOM 0 HD2 LYS A 70 13.305 -14.297 -12.738 1.00 33.11 H new ATOM 0 HD3 LYS A 70 13.924 -15.399 -11.524 1.00 33.11 H new ATOM 0 HE2 LYS A 70 11.650 -15.665 -10.578 1.00 71.42 H new ATOM 0 HE3 LYS A 70 11.016 -14.520 -11.743 1.00 71.42 H new ATOM 0 HZ1 LYS A 70 10.730 -16.202 -13.132 1.00 44.31 H new ATOM 0 HZ2 LYS A 70 12.410 -16.440 -13.200 1.00 44.31 H new ATOM 0 HZ3 LYS A 70 11.478 -17.286 -12.060 1.00 44.31 H new ATOM 1082 N LEU A 71 14.607 -13.074 -7.759 1.00 13.15 N ATOM 1083 CA LEU A 71 13.911 -12.819 -6.503 1.00 10.42 C ATOM 1084 C LEU A 71 14.877 -12.305 -5.440 1.00 61.30 C ATOM 1085 O LEU A 71 15.521 -13.088 -4.742 1.00 61.23 O ATOM 1086 CB LEU A 71 13.223 -14.092 -6.011 1.00 23.55 C ATOM 1087 CG LEU A 71 12.094 -14.629 -6.891 1.00 21.50 C ATOM 1088 CD1 LEU A 71 11.479 -15.874 -6.271 1.00 21.03 C ATOM 1089 CD2 LEU A 71 11.033 -13.559 -7.109 1.00 12.53 C ATOM 0 H LEU A 71 14.926 -14.036 -7.876 1.00 13.15 H new ATOM 0 HA LEU A 71 13.157 -12.053 -6.683 1.00 10.42 H new ATOM 0 HB2 LEU A 71 13.978 -14.872 -5.907 1.00 23.55 H new ATOM 0 HB3 LEU A 71 12.822 -13.902 -5.016 1.00 23.55 H new ATOM 0 HG LEU A 71 12.513 -14.900 -7.860 1.00 21.50 H new ATOM 0 HD11 LEU A 71 10.677 -16.241 -6.912 1.00 21.03 H new ATOM 0 HD12 LEU A 71 12.243 -16.644 -6.168 1.00 21.03 H new ATOM 0 HD13 LEU A 71 11.075 -15.630 -5.289 1.00 21.03 H new ATOM 0 HD21 LEU A 71 10.237 -13.959 -7.738 1.00 12.53 H new ATOM 0 HD22 LEU A 71 10.619 -13.256 -6.147 1.00 12.53 H new ATOM 0 HD23 LEU A 71 11.483 -12.695 -7.598 1.00 12.53 H new ATOM 1101 N GLU A 72 14.971 -10.985 -5.322 1.00 14.33 N ATOM 1102 CA GLU A 72 15.857 -10.367 -4.342 1.00 73.52 C ATOM 1103 C GLU A 72 15.069 -9.504 -3.362 1.00 43.43 C ATOM 1104 O GLU A 72 15.425 -9.392 -2.188 1.00 73.12 O ATOM 1105 CB GLU A 72 16.919 -9.518 -5.045 1.00 41.34 C ATOM 1106 CG GLU A 72 16.339 -8.413 -5.912 1.00 21.33 C ATOM 1107 CD GLU A 72 17.403 -7.483 -6.462 1.00 53.11 C ATOM 1108 OE1 GLU A 72 18.311 -7.972 -7.167 1.00 52.00 O ATOM 1109 OE2 GLU A 72 17.328 -6.268 -6.187 1.00 42.31 O ATOM 0 H GLU A 72 14.445 -10.323 -5.892 1.00 14.33 H new ATOM 0 HA GLU A 72 16.349 -11.163 -3.783 1.00 73.52 H new ATOM 0 HB2 GLU A 72 17.573 -9.074 -4.294 1.00 41.34 H new ATOM 0 HB3 GLU A 72 17.539 -10.166 -5.664 1.00 41.34 H new ATOM 0 HG2 GLU A 72 15.787 -8.858 -6.740 1.00 21.33 H new ATOM 0 HG3 GLU A 72 15.624 -7.835 -5.327 1.00 21.33 H new ATOM 1116 N THR A 73 13.993 -8.895 -3.852 1.00 72.44 N ATOM 1117 CA THR A 73 13.154 -8.040 -3.021 1.00 4.34 C ATOM 1118 C THR A 73 11.952 -8.807 -2.482 1.00 12.00 C ATOM 1119 O THR A 73 11.505 -9.783 -3.085 1.00 42.34 O ATOM 1120 CB THR A 73 12.656 -6.810 -3.803 1.00 65.13 C ATOM 1121 OG1 THR A 73 12.018 -7.228 -5.016 1.00 4.12 O ATOM 1122 CG2 THR A 73 13.808 -5.872 -4.127 1.00 4.33 C ATOM 0 H THR A 73 13.682 -8.978 -4.820 1.00 72.44 H new ATOM 0 HA THR A 73 13.771 -7.705 -2.188 1.00 4.34 H new ATOM 0 HB THR A 73 11.939 -6.276 -3.180 1.00 65.13 H new ATOM 0 HG1 THR A 73 11.702 -6.441 -5.507 1.00 4.12 H new ATOM 0 HG21 THR A 73 13.432 -5.011 -4.679 1.00 4.33 H new ATOM 0 HG22 THR A 73 14.273 -5.534 -3.201 1.00 4.33 H new ATOM 0 HG23 THR A 73 14.546 -6.398 -4.733 1.00 4.33 H new ATOM 1130 N VAL A 74 11.431 -8.360 -1.344 1.00 44.25 N ATOM 1131 CA VAL A 74 10.279 -9.003 -0.724 1.00 71.10 C ATOM 1132 C VAL A 74 9.106 -9.081 -1.695 1.00 60.12 C ATOM 1133 O VAL A 74 8.532 -10.149 -1.907 1.00 22.51 O ATOM 1134 CB VAL A 74 9.833 -8.253 0.545 1.00 25.12 C ATOM 1135 CG1 VAL A 74 8.737 -9.025 1.263 1.00 52.13 C ATOM 1136 CG2 VAL A 74 11.018 -8.013 1.466 1.00 34.04 C ATOM 0 H VAL A 74 11.789 -7.554 -0.832 1.00 44.25 H new ATOM 0 HA VAL A 74 10.588 -10.012 -0.450 1.00 71.10 H new ATOM 0 HB VAL A 74 9.429 -7.284 0.251 1.00 25.12 H new ATOM 0 HG11 VAL A 74 8.434 -8.480 2.157 1.00 52.13 H new ATOM 0 HG12 VAL A 74 7.879 -9.140 0.600 1.00 52.13 H new ATOM 0 HG13 VAL A 74 9.111 -10.009 1.547 1.00 52.13 H new ATOM 0 HG21 VAL A 74 10.684 -7.482 2.357 1.00 34.04 H new ATOM 0 HG22 VAL A 74 11.454 -8.969 1.755 1.00 34.04 H new ATOM 0 HG23 VAL A 74 11.767 -7.415 0.947 1.00 34.04 H new ATOM 1146 N ASP A 75 8.755 -7.942 -2.283 1.00 22.54 N ATOM 1147 CA ASP A 75 7.650 -7.881 -3.232 1.00 40.14 C ATOM 1148 C ASP A 75 7.823 -8.923 -4.334 1.00 70.00 C ATOM 1149 O ASP A 75 6.901 -9.681 -4.635 1.00 42.53 O ATOM 1150 CB ASP A 75 7.554 -6.483 -3.846 1.00 63.23 C ATOM 1151 CG ASP A 75 6.313 -6.311 -4.699 1.00 53.41 C ATOM 1152 OD1 ASP A 75 5.207 -6.616 -4.205 1.00 23.41 O ATOM 1153 OD2 ASP A 75 6.447 -5.870 -5.859 1.00 1.32 O ATOM 0 H ASP A 75 9.220 -7.049 -2.119 1.00 22.54 H new ATOM 0 HA ASP A 75 6.727 -8.097 -2.693 1.00 40.14 H new ATOM 0 HB2 ASP A 75 7.550 -5.739 -3.050 1.00 63.23 H new ATOM 0 HB3 ASP A 75 8.439 -6.295 -4.454 1.00 63.23 H new ATOM 1158 N ASP A 76 9.009 -8.953 -4.932 1.00 53.01 N ATOM 1159 CA ASP A 76 9.303 -9.901 -6.000 1.00 32.13 C ATOM 1160 C ASP A 76 9.100 -11.336 -5.524 1.00 4.15 C ATOM 1161 O ASP A 76 8.431 -12.132 -6.185 1.00 73.03 O ATOM 1162 CB ASP A 76 10.736 -9.714 -6.498 1.00 73.52 C ATOM 1163 CG ASP A 76 10.856 -8.589 -7.508 1.00 1.45 C ATOM 1164 OD1 ASP A 76 10.077 -7.619 -7.409 1.00 14.20 O ATOM 1165 OD2 ASP A 76 11.729 -8.679 -8.397 1.00 43.24 O ATOM 0 H ASP A 76 9.782 -8.332 -4.695 1.00 53.01 H new ATOM 0 HA ASP A 76 8.614 -9.709 -6.822 1.00 32.13 H new ATOM 0 HB2 ASP A 76 11.388 -9.508 -5.650 1.00 73.52 H new ATOM 0 HB3 ASP A 76 11.085 -10.643 -6.950 1.00 73.52 H new ATOM 1170 N ILE A 77 9.681 -11.660 -4.374 1.00 33.41 N ATOM 1171 CA ILE A 77 9.564 -13.000 -3.810 1.00 42.01 C ATOM 1172 C ILE A 77 8.105 -13.363 -3.555 1.00 14.23 C ATOM 1173 O ILE A 77 7.612 -14.377 -4.051 1.00 4.43 O ATOM 1174 CB ILE A 77 10.350 -13.125 -2.492 1.00 62.01 C ATOM 1175 CG1 ILE A 77 11.829 -12.806 -2.722 1.00 31.21 C ATOM 1176 CG2 ILE A 77 10.188 -14.521 -1.910 1.00 54.54 C ATOM 1177 CD1 ILE A 77 12.551 -12.355 -1.472 1.00 0.20 C ATOM 0 H ILE A 77 10.237 -11.014 -3.814 1.00 33.41 H new ATOM 0 HA ILE A 77 9.985 -13.689 -4.542 1.00 42.01 H new ATOM 0 HB ILE A 77 9.950 -12.406 -1.778 1.00 62.01 H new ATOM 0 HG12 ILE A 77 12.326 -13.691 -3.119 1.00 31.21 H new ATOM 0 HG13 ILE A 77 11.911 -12.027 -3.480 1.00 31.21 H new ATOM 0 HG21 ILE A 77 10.749 -14.594 -0.978 1.00 54.54 H new ATOM 0 HG22 ILE A 77 9.133 -14.713 -1.714 1.00 54.54 H new ATOM 0 HG23 ILE A 77 10.565 -15.257 -2.620 1.00 54.54 H new ATOM 0 HD11 ILE A 77 13.594 -12.146 -1.710 1.00 0.20 H new ATOM 0 HD12 ILE A 77 12.079 -11.452 -1.085 1.00 0.20 H new ATOM 0 HD13 ILE A 77 12.501 -13.141 -0.719 1.00 0.20 H new ATOM 1189 N CYS A 78 7.419 -12.528 -2.783 1.00 61.25 N ATOM 1190 CA CYS A 78 6.015 -12.761 -2.463 1.00 2.14 C ATOM 1191 C CYS A 78 5.182 -12.890 -3.734 1.00 72.24 C ATOM 1192 O CYS A 78 4.325 -13.768 -3.839 1.00 42.05 O ATOM 1193 CB CYS A 78 5.473 -11.623 -1.597 1.00 33.40 C ATOM 1194 SG CYS A 78 3.901 -11.998 -0.786 1.00 42.35 S ATOM 0 H CYS A 78 7.812 -11.684 -2.367 1.00 61.25 H new ATOM 0 HA CYS A 78 5.944 -13.696 -1.908 1.00 2.14 H new ATOM 0 HB2 CYS A 78 6.213 -11.376 -0.835 1.00 33.40 H new ATOM 0 HB3 CYS A 78 5.347 -10.736 -2.218 1.00 33.40 H new ATOM 0 HG CYS A 78 3.236 -12.854 -1.504 1.00 42.35 H new ATOM 1200 N ARG A 79 5.440 -12.010 -4.696 1.00 42.12 N ATOM 1201 CA ARG A 79 4.712 -12.024 -5.959 1.00 32.51 C ATOM 1202 C ARG A 79 4.900 -13.356 -6.680 1.00 62.11 C ATOM 1203 O ARG A 79 3.948 -13.920 -7.221 1.00 54.33 O ATOM 1204 CB ARG A 79 5.182 -10.877 -6.855 1.00 34.14 C ATOM 1205 CG ARG A 79 4.227 -10.565 -7.996 1.00 33.33 C ATOM 1206 CD ARG A 79 4.950 -9.925 -9.169 1.00 43.34 C ATOM 1207 NE ARG A 79 4.151 -9.962 -10.392 1.00 64.15 N ATOM 1208 CZ ARG A 79 4.591 -9.537 -11.571 1.00 42.12 C ATOM 1209 NH1 ARG A 79 5.816 -9.043 -11.686 1.00 41.13 N ATOM 1210 NH2 ARG A 79 3.805 -9.604 -12.637 1.00 72.00 N ATOM 0 H ARG A 79 6.147 -11.279 -4.625 1.00 42.12 H new ATOM 0 HA ARG A 79 3.652 -11.895 -5.740 1.00 32.51 H new ATOM 0 HB2 ARG A 79 5.313 -9.982 -6.247 1.00 34.14 H new ATOM 0 HB3 ARG A 79 6.159 -11.127 -7.268 1.00 34.14 H new ATOM 0 HG2 ARG A 79 3.739 -11.483 -8.325 1.00 33.33 H new ATOM 0 HG3 ARG A 79 3.442 -9.896 -7.642 1.00 33.33 H new ATOM 0 HD2 ARG A 79 5.191 -8.890 -8.925 1.00 43.34 H new ATOM 0 HD3 ARG A 79 5.895 -10.442 -9.338 1.00 43.34 H new ATOM 0 HE ARG A 79 3.203 -10.335 -10.337 1.00 64.15 H new ATOM 0 HH11 ARG A 79 6.423 -8.989 -10.868 1.00 41.13 H new ATOM 0 HH12 ARG A 79 6.152 -8.717 -12.592 1.00 41.13 H new ATOM 0 HH21 ARG A 79 2.862 -9.982 -12.552 1.00 72.00 H new ATOM 0 HH22 ARG A 79 4.144 -9.277 -13.542 1.00 72.00 H new ATOM 1224 N TYR A 80 6.132 -13.853 -6.684 1.00 65.34 N ATOM 1225 CA TYR A 80 6.444 -15.116 -7.340 1.00 50.23 C ATOM 1226 C TYR A 80 5.732 -16.278 -6.654 1.00 33.42 C ATOM 1227 O TYR A 80 5.220 -17.184 -7.314 1.00 3.40 O ATOM 1228 CB TYR A 80 7.955 -15.358 -7.336 1.00 55.12 C ATOM 1229 CG TYR A 80 8.349 -16.739 -7.808 1.00 74.13 C ATOM 1230 CD1 TYR A 80 8.408 -17.806 -6.921 1.00 52.21 C ATOM 1231 CD2 TYR A 80 8.664 -16.975 -9.141 1.00 64.12 C ATOM 1232 CE1 TYR A 80 8.768 -19.070 -7.348 1.00 73.04 C ATOM 1233 CE2 TYR A 80 9.025 -18.236 -9.576 1.00 4.04 C ATOM 1234 CZ TYR A 80 9.075 -19.281 -8.675 1.00 53.44 C ATOM 1235 OH TYR A 80 9.435 -20.537 -9.106 1.00 12.11 O ATOM 0 H TYR A 80 6.931 -13.400 -6.240 1.00 65.34 H new ATOM 0 HA TYR A 80 6.094 -15.056 -8.370 1.00 50.23 H new ATOM 0 HB2 TYR A 80 8.435 -14.615 -7.973 1.00 55.12 H new ATOM 0 HB3 TYR A 80 8.336 -15.206 -6.326 1.00 55.12 H new ATOM 0 HD1 TYR A 80 8.169 -17.645 -5.880 1.00 52.21 H new ATOM 0 HD2 TYR A 80 8.626 -16.160 -9.848 1.00 64.12 H new ATOM 0 HE1 TYR A 80 8.809 -19.889 -6.645 1.00 73.04 H new ATOM 0 HE2 TYR A 80 9.267 -18.403 -10.615 1.00 4.04 H new ATOM 0 HH TYR A 80 10.313 -20.495 -9.538 1.00 12.11 H new ATOM 1245 N ILE A 81 5.702 -16.244 -5.327 1.00 75.45 N ATOM 1246 CA ILE A 81 5.050 -17.292 -4.551 1.00 44.21 C ATOM 1247 C ILE A 81 3.533 -17.212 -4.684 1.00 45.44 C ATOM 1248 O ILE A 81 2.848 -18.235 -4.713 1.00 63.42 O ATOM 1249 CB ILE A 81 5.428 -17.206 -3.060 1.00 32.32 C ATOM 1250 CG1 ILE A 81 6.942 -17.341 -2.886 1.00 21.53 C ATOM 1251 CG2 ILE A 81 4.701 -18.281 -2.266 1.00 70.44 C ATOM 1252 CD1 ILE A 81 7.411 -17.103 -1.468 1.00 20.45 C ATOM 0 H ILE A 81 6.121 -15.502 -4.766 1.00 75.45 H new ATOM 0 HA ILE A 81 5.398 -18.244 -4.952 1.00 44.21 H new ATOM 0 HB ILE A 81 5.123 -16.231 -2.679 1.00 32.32 H new ATOM 0 HG12 ILE A 81 7.248 -18.339 -3.198 1.00 21.53 H new ATOM 0 HG13 ILE A 81 7.440 -16.633 -3.548 1.00 21.53 H new ATOM 0 HG21 ILE A 81 4.979 -18.207 -1.215 1.00 70.44 H new ATOM 0 HG22 ILE A 81 3.625 -18.143 -2.368 1.00 70.44 H new ATOM 0 HG23 ILE A 81 4.978 -19.264 -2.646 1.00 70.44 H new ATOM 0 HD11 ILE A 81 8.494 -17.215 -1.419 1.00 20.45 H new ATOM 0 HD12 ILE A 81 7.136 -16.095 -1.158 1.00 20.45 H new ATOM 0 HD13 ILE A 81 6.941 -17.827 -0.803 1.00 20.45 H new ATOM 1264 N ALA A 82 3.014 -15.992 -4.767 1.00 24.44 N ATOM 1265 CA ALA A 82 1.579 -15.779 -4.902 1.00 74.32 C ATOM 1266 C ALA A 82 1.083 -16.233 -6.271 1.00 1.20 C ATOM 1267 O ALA A 82 0.071 -16.925 -6.375 1.00 72.43 O ATOM 1268 CB ALA A 82 1.239 -14.313 -4.675 1.00 50.42 C ATOM 0 H ALA A 82 3.567 -15.135 -4.743 1.00 24.44 H new ATOM 0 HA ALA A 82 1.075 -16.379 -4.144 1.00 74.32 H new ATOM 0 HB1 ALA A 82 0.164 -14.169 -4.779 1.00 50.42 H new ATOM 0 HB2 ALA A 82 1.549 -14.019 -3.673 1.00 50.42 H new ATOM 0 HB3 ALA A 82 1.760 -13.700 -5.411 1.00 50.42 H new ATOM 1274 N SER A 83 1.802 -15.837 -7.317 1.00 34.12 N ATOM 1275 CA SER A 83 1.431 -16.201 -8.679 1.00 43.14 C ATOM 1276 C SER A 83 1.279 -17.713 -8.816 1.00 54.13 C ATOM 1277 O SER A 83 0.536 -18.200 -9.668 1.00 22.31 O ATOM 1278 CB SER A 83 2.480 -15.691 -9.669 1.00 1.43 C ATOM 1279 OG SER A 83 1.988 -15.725 -10.997 1.00 10.43 O ATOM 0 H SER A 83 2.644 -15.265 -7.247 1.00 34.12 H new ATOM 0 HA SER A 83 0.472 -15.735 -8.904 1.00 43.14 H new ATOM 0 HB2 SER A 83 2.764 -14.671 -9.409 1.00 1.43 H new ATOM 0 HB3 SER A 83 3.380 -16.301 -9.596 1.00 1.43 H new ATOM 0 HG SER A 83 2.677 -15.393 -11.610 1.00 10.43 H new ATOM 1285 N LYS A 84 1.990 -18.451 -7.971 1.00 42.25 N ATOM 1286 CA LYS A 84 1.936 -19.909 -7.994 1.00 0.24 C ATOM 1287 C LYS A 84 0.728 -20.421 -7.216 1.00 65.15 C ATOM 1288 O LYS A 84 0.122 -21.425 -7.585 1.00 0.04 O ATOM 1289 CB LYS A 84 3.222 -20.496 -7.408 1.00 70.24 C ATOM 1290 CG LYS A 84 4.483 -20.025 -8.110 1.00 52.41 C ATOM 1291 CD LYS A 84 4.817 -20.902 -9.305 1.00 32.14 C ATOM 1292 CE LYS A 84 5.916 -20.288 -10.158 1.00 24.30 C ATOM 1293 NZ LYS A 84 5.369 -19.347 -11.174 1.00 51.04 N ATOM 0 H LYS A 84 2.611 -18.064 -7.261 1.00 42.25 H new ATOM 0 HA LYS A 84 1.838 -20.229 -9.032 1.00 0.24 H new ATOM 0 HB2 LYS A 84 3.284 -20.231 -6.353 1.00 70.24 H new ATOM 0 HB3 LYS A 84 3.172 -21.584 -7.461 1.00 70.24 H new ATOM 0 HG2 LYS A 84 4.354 -18.994 -8.439 1.00 52.41 H new ATOM 0 HG3 LYS A 84 5.316 -20.033 -7.407 1.00 52.41 H new ATOM 0 HD2 LYS A 84 5.131 -21.886 -8.958 1.00 32.14 H new ATOM 0 HD3 LYS A 84 3.923 -21.048 -9.911 1.00 32.14 H new ATOM 0 HE2 LYS A 84 6.621 -19.760 -9.516 1.00 24.30 H new ATOM 0 HE3 LYS A 84 6.472 -21.080 -10.659 1.00 24.30 H new ATOM 0 HZ1 LYS A 84 6.149 -18.950 -11.735 1.00 51.04 H new ATOM 0 HZ2 LYS A 84 4.715 -19.856 -11.802 1.00 51.04 H new ATOM 0 HZ3 LYS A 84 4.860 -18.577 -10.695 1.00 51.04 H new ATOM 1307 N SER A 85 0.384 -19.721 -6.139 1.00 10.43 N ATOM 1308 CA SER A 85 -0.750 -20.107 -5.308 1.00 43.33 C ATOM 1309 C SER A 85 -2.067 -19.845 -6.031 1.00 10.44 C ATOM 1310 O SER A 85 -2.083 -19.532 -7.221 1.00 32.24 O ATOM 1311 CB SER A 85 -0.721 -19.344 -3.983 1.00 24.21 C ATOM 1312 OG SER A 85 -1.515 -18.172 -4.051 1.00 62.21 O ATOM 0 H SER A 85 0.874 -18.884 -5.822 1.00 10.43 H new ATOM 0 HA SER A 85 -0.674 -21.175 -5.105 1.00 43.33 H new ATOM 0 HB2 SER A 85 -1.085 -19.987 -3.182 1.00 24.21 H new ATOM 0 HB3 SER A 85 0.307 -19.077 -3.736 1.00 24.21 H new ATOM 0 HG SER A 85 -1.167 -17.581 -4.751 1.00 62.21 H new ATOM 1318 N SER A 86 -3.171 -19.973 -5.302 1.00 23.42 N ATOM 1319 CA SER A 86 -4.495 -19.754 -5.873 1.00 64.32 C ATOM 1320 C SER A 86 -4.740 -18.269 -6.121 1.00 34.22 C ATOM 1321 O SER A 86 -5.534 -17.895 -6.984 1.00 3.04 O ATOM 1322 CB SER A 86 -5.574 -20.311 -4.943 1.00 61.24 C ATOM 1323 OG SER A 86 -5.404 -19.832 -3.620 1.00 32.21 O ATOM 0 H SER A 86 -3.175 -20.227 -4.314 1.00 23.42 H new ATOM 0 HA SER A 86 -4.543 -20.278 -6.828 1.00 64.32 H new ATOM 0 HB2 SER A 86 -6.559 -20.026 -5.312 1.00 61.24 H new ATOM 0 HB3 SER A 86 -5.535 -21.400 -4.947 1.00 61.24 H new ATOM 0 HG SER A 86 -6.107 -20.201 -3.046 1.00 32.21 H new ATOM 1329 N ASP A 87 -4.051 -17.426 -5.359 1.00 33.10 N ATOM 1330 CA ASP A 87 -4.192 -15.981 -5.495 1.00 34.24 C ATOM 1331 C ASP A 87 -5.637 -15.551 -5.261 1.00 52.42 C ATOM 1332 O ASP A 87 -6.105 -14.571 -5.840 1.00 53.21 O ATOM 1333 CB ASP A 87 -3.731 -15.532 -6.883 1.00 33.23 C ATOM 1334 CG ASP A 87 -2.226 -15.371 -6.969 1.00 3.24 C ATOM 1335 OD1 ASP A 87 -1.626 -14.870 -5.995 1.00 61.42 O ATOM 1336 OD2 ASP A 87 -1.648 -15.746 -8.011 1.00 24.05 O ATOM 0 H ASP A 87 -3.389 -17.719 -4.640 1.00 33.10 H new ATOM 0 HA ASP A 87 -3.565 -15.506 -4.740 1.00 34.24 H new ATOM 0 HB2 ASP A 87 -4.059 -16.260 -7.625 1.00 33.23 H new ATOM 0 HB3 ASP A 87 -4.210 -14.585 -7.133 1.00 33.23 H new ATOM 1341 N ALA A 88 -6.339 -16.291 -4.409 1.00 51.22 N ATOM 1342 CA ALA A 88 -7.729 -15.987 -4.098 1.00 24.22 C ATOM 1343 C ALA A 88 -7.848 -14.664 -3.349 1.00 25.02 C ATOM 1344 O ALA A 88 -6.856 -14.135 -2.844 1.00 32.15 O ATOM 1345 CB ALA A 88 -8.347 -17.114 -3.285 1.00 70.24 C ATOM 0 H ALA A 88 -5.967 -17.106 -3.922 1.00 51.22 H new ATOM 0 HA ALA A 88 -8.273 -15.892 -5.038 1.00 24.22 H new ATOM 0 HB1 ALA A 88 -9.386 -16.873 -3.060 1.00 70.24 H new ATOM 0 HB2 ALA A 88 -8.305 -18.041 -3.857 1.00 70.24 H new ATOM 0 HB3 ALA A 88 -7.793 -17.237 -2.354 1.00 70.24 H new TER 1351 ALA A 88