USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 608 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 28 ASN : amide:sc= -10.7! C(o=-13!,f=-6.5!) USER MOD Set 1.2: A 30 HIS : no HD1:sc= -2.07! C(o=-13!,f=-16!) USER MOD Set 2.1: A 14 SER OG : rot -60:sc= -1.4 USER MOD Set 2.2: A 25 LYS NZ :NH3+ 137:sc= -1.5 (180deg=-4.06!) USER MOD Single : A 1 MET CE :methyl 152:sc= -0.507 (180deg=-2.01!) USER MOD Single : A 1 MET N :NH3+ 147:sc= 0.242 (180deg=-1.27!) USER MOD Single : A 3 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0953) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -9.71! C(o=-9.7!,f=-12!) USER MOD Single : A 21 MET CE :methyl 159:sc= -0.26 (180deg=-1.1) USER MOD Single : A 23 LYS NZ :NH3+ -149:sc= -0.496 (180deg=-1.89!) USER MOD Single : A 34 CYS SG : rot 46:sc= -5.06! USER MOD Single : A 35 HIS : no HE2:sc= -9.42! C(o=-9.4!,f=-8.9!) USER MOD Single : A 37 SER OG : rot -120:sc= -0.714 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -157:sc= -0.367 (180deg=-1.3) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0.41) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 108:sc= 0.00801 USER MOD Single : A 68 THR OG1 : rot 61:sc= -1.9! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.820 3.122 20.355 1.00 0.00 N ATOM 2 CA MET A 1 4.927 4.304 19.467 1.00 0.00 C ATOM 3 C MET A 1 6.163 4.185 18.586 1.00 0.00 C ATOM 4 O MET A 1 6.535 3.104 18.176 1.00 0.00 O ATOM 5 CB MET A 1 5.051 5.582 20.310 1.00 0.00 C ATOM 6 CG MET A 1 6.330 5.504 21.145 1.00 0.00 C ATOM 7 SD MET A 1 6.442 6.578 22.597 1.00 0.00 S ATOM 8 CE MET A 1 4.818 6.183 23.295 1.00 0.00 C ATOM 0 H1 MET A 1 4.395 3.406 21.261 1.00 0.00 H new ATOM 0 H2 MET A 1 4.222 2.401 19.903 1.00 0.00 H new ATOM 0 H3 MET A 1 5.768 2.729 20.525 1.00 0.00 H new ATOM 0 HA MET A 1 4.032 4.352 18.846 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.076 6.459 19.663 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.183 5.690 20.960 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.453 4.473 21.478 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.173 5.731 20.492 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.847 6.310 24.377 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.068 6.850 22.871 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.561 5.151 23.057 1.00 0.00 H new ATOM 17 N ALA A 2 6.782 5.302 18.311 1.00 0.00 N ATOM 18 CA ALA A 2 7.994 5.271 17.457 1.00 0.00 C ATOM 19 C ALA A 2 9.219 4.829 18.253 1.00 0.00 C ATOM 20 O ALA A 2 9.746 5.575 19.054 1.00 0.00 O ATOM 21 CB ALA A 2 8.242 6.686 16.915 1.00 0.00 C ATOM 0 H ALA A 2 6.500 6.225 18.640 1.00 0.00 H new ATOM 0 HA ALA A 2 7.834 4.560 16.646 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.131 6.683 16.284 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.381 7.007 16.328 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.391 7.374 17.748 1.00 0.00 H new ATOM 27 N LYS A 3 9.646 3.620 18.015 1.00 0.00 N ATOM 28 CA LYS A 3 10.833 3.097 18.739 1.00 0.00 C ATOM 29 C LYS A 3 10.667 3.212 20.257 1.00 0.00 C ATOM 30 O LYS A 3 10.105 2.337 20.884 1.00 0.00 O ATOM 31 CB LYS A 3 12.061 3.912 18.303 1.00 0.00 C ATOM 32 CG LYS A 3 13.322 3.251 18.863 1.00 0.00 C ATOM 33 CD LYS A 3 14.551 3.890 18.215 1.00 0.00 C ATOM 34 CE LYS A 3 15.705 3.894 19.220 1.00 0.00 C ATOM 35 NZ LYS A 3 16.074 2.501 19.594 1.00 0.00 N ATOM 0 H LYS A 3 9.223 2.973 17.350 1.00 0.00 H new ATOM 0 HA LYS A 3 10.953 2.041 18.496 1.00 0.00 H new ATOM 0 HB2 LYS A 3 12.113 3.961 17.215 1.00 0.00 H new ATOM 0 HB3 LYS A 3 11.981 4.937 18.665 1.00 0.00 H new ATOM 0 HG2 LYS A 3 13.361 3.373 19.945 1.00 0.00 H new ATOM 0 HG3 LYS A 3 13.306 2.180 18.663 1.00 0.00 H new ATOM 0 HD2 LYS A 3 14.834 3.336 17.320 1.00 0.00 H new ATOM 0 HD3 LYS A 3 14.323 4.909 17.901 1.00 0.00 H new ATOM 0 HE2 LYS A 3 16.568 4.402 18.790 1.00 0.00 H new ATOM 0 HE3 LYS A 3 15.417 4.452 20.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 16.960 2.511 20.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 15.316 2.084 20.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 16.204 1.933 18.732 1.00 0.00 H new ATOM 49 N LYS A 4 11.161 4.287 20.824 1.00 0.00 N ATOM 50 CA LYS A 4 11.032 4.453 22.296 1.00 0.00 C ATOM 51 C LYS A 4 9.625 4.104 22.763 1.00 0.00 C ATOM 52 O LYS A 4 8.729 4.924 22.717 1.00 0.00 O ATOM 53 CB LYS A 4 11.334 5.920 22.662 1.00 0.00 C ATOM 54 CG LYS A 4 10.733 6.849 21.604 1.00 0.00 C ATOM 55 CD LYS A 4 10.494 8.227 22.231 1.00 0.00 C ATOM 56 CE LYS A 4 10.286 9.258 21.120 1.00 0.00 C ATOM 57 NZ LYS A 4 11.500 10.105 20.961 1.00 0.00 N ATOM 0 H LYS A 4 11.640 5.043 20.335 1.00 0.00 H new ATOM 0 HA LYS A 4 11.737 3.782 22.786 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.919 6.153 23.643 1.00 0.00 H new ATOM 0 HB3 LYS A 4 12.411 6.075 22.726 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.407 6.935 20.751 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.796 6.437 21.230 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.621 8.196 22.883 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.345 8.510 22.851 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.064 8.750 20.181 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.426 9.885 21.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.342 10.799 20.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.694 10.604 21.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.313 9.504 20.716 1.00 0.00 H new ATOM 71 N ASP A 5 9.461 2.884 23.207 1.00 0.00 N ATOM 72 CA ASP A 5 8.125 2.446 23.685 1.00 0.00 C ATOM 73 C ASP A 5 8.039 2.527 25.206 1.00 0.00 C ATOM 74 O ASP A 5 8.361 1.578 25.897 1.00 0.00 O ATOM 75 CB ASP A 5 7.919 0.984 23.258 1.00 0.00 C ATOM 76 CG ASP A 5 7.350 0.948 21.840 1.00 0.00 C ATOM 77 OD1 ASP A 5 8.011 0.347 21.007 1.00 0.00 O ATOM 78 OD2 ASP A 5 6.289 1.523 21.668 1.00 0.00 O ATOM 0 H ASP A 5 10.195 2.178 23.257 1.00 0.00 H new ATOM 0 HA ASP A 5 7.361 3.095 23.257 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.866 0.445 23.296 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.239 0.484 23.948 1.00 0.00 H new ATOM 83 N VAL A 6 7.602 3.663 25.696 1.00 0.00 N ATOM 84 CA VAL A 6 7.483 3.838 27.172 1.00 0.00 C ATOM 85 C VAL A 6 6.024 3.806 27.606 1.00 0.00 C ATOM 86 O VAL A 6 5.128 3.944 26.796 1.00 0.00 O ATOM 87 CB VAL A 6 8.071 5.208 27.545 1.00 0.00 C ATOM 88 CG1 VAL A 6 9.532 5.032 27.961 1.00 0.00 C ATOM 89 CG2 VAL A 6 7.999 6.136 26.332 1.00 0.00 C ATOM 0 H VAL A 6 7.325 4.471 25.138 1.00 0.00 H new ATOM 0 HA VAL A 6 8.016 3.028 27.669 1.00 0.00 H new ATOM 0 HB VAL A 6 7.504 5.639 28.370 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.954 6.001 28.227 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.588 4.364 28.821 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.097 4.605 27.133 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.415 7.109 26.593 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.571 5.705 25.510 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.959 6.256 26.027 1.00 0.00 H new ATOM 99 N ILE A 7 5.811 3.628 28.885 1.00 0.00 N ATOM 100 CA ILE A 7 4.417 3.584 29.393 1.00 0.00 C ATOM 101 C ILE A 7 3.981 4.960 29.880 1.00 0.00 C ATOM 102 O ILE A 7 4.350 5.386 30.957 1.00 0.00 O ATOM 103 CB ILE A 7 4.363 2.597 30.563 1.00 0.00 C ATOM 104 CG1 ILE A 7 4.638 1.189 30.053 1.00 0.00 C ATOM 105 CG2 ILE A 7 2.947 2.628 31.173 1.00 0.00 C ATOM 106 CD1 ILE A 7 4.281 0.179 31.144 1.00 0.00 C ATOM 0 H ILE A 7 6.539 3.513 29.590 1.00 0.00 H new ATOM 0 HA ILE A 7 3.748 3.272 28.591 1.00 0.00 H new ATOM 0 HB ILE A 7 5.108 2.873 31.309 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.052 0.994 29.155 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.688 1.088 29.777 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.895 1.929 32.008 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.726 3.634 31.528 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.218 2.342 30.415 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.476 -0.831 30.783 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.886 0.371 32.030 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.225 0.276 31.398 1.00 0.00 H new ATOM 118 N GLU A 8 3.200 5.632 29.076 1.00 0.00 N ATOM 119 CA GLU A 8 2.732 6.980 29.476 1.00 0.00 C ATOM 120 C GLU A 8 1.556 6.890 30.441 1.00 0.00 C ATOM 121 O GLU A 8 0.506 6.386 30.094 1.00 0.00 O ATOM 122 CB GLU A 8 2.271 7.725 28.214 1.00 0.00 C ATOM 123 CG GLU A 8 3.236 7.417 27.068 1.00 0.00 C ATOM 124 CD GLU A 8 4.667 7.723 27.517 1.00 0.00 C ATOM 125 OE1 GLU A 8 5.207 6.879 28.213 1.00 0.00 O ATOM 126 OE2 GLU A 8 5.137 8.783 27.141 1.00 0.00 O ATOM 0 H GLU A 8 2.871 5.304 28.168 1.00 0.00 H new ATOM 0 HA GLU A 8 3.550 7.503 29.972 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.260 7.420 27.946 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.241 8.798 28.401 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.150 6.370 26.776 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.982 8.014 26.192 1.00 0.00 H new ATOM 133 N LEU A 9 1.761 7.383 31.640 1.00 0.00 N ATOM 134 CA LEU A 9 0.672 7.347 32.659 1.00 0.00 C ATOM 135 C LEU A 9 0.472 8.727 33.263 1.00 0.00 C ATOM 136 O LEU A 9 1.396 9.509 33.342 1.00 0.00 O ATOM 137 CB LEU A 9 1.078 6.372 33.775 1.00 0.00 C ATOM 138 CG LEU A 9 0.396 5.023 33.534 1.00 0.00 C ATOM 139 CD1 LEU A 9 1.251 3.908 34.139 1.00 0.00 C ATOM 140 CD2 LEU A 9 -0.978 5.026 34.208 1.00 0.00 C ATOM 0 H LEU A 9 2.634 7.807 31.953 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.256 7.027 32.185 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.161 6.248 33.791 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.789 6.771 34.747 1.00 0.00 H new ATOM 0 HG LEU A 9 0.281 4.857 32.463 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.768 2.946 33.969 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.235 3.908 33.669 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.361 4.074 35.211 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.468 4.067 34.039 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.858 5.188 35.279 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.588 5.825 33.786 1.00 0.00 H new ATOM 152 N GLU A 10 -0.729 9.008 33.680 1.00 0.00 N ATOM 153 CA GLU A 10 -0.994 10.339 34.280 1.00 0.00 C ATOM 154 C GLU A 10 -0.726 10.336 35.776 1.00 0.00 C ATOM 155 O GLU A 10 -0.998 9.366 36.456 1.00 0.00 O ATOM 156 CB GLU A 10 -2.470 10.688 34.047 1.00 0.00 C ATOM 157 CG GLU A 10 -2.790 10.557 32.556 1.00 0.00 C ATOM 158 CD GLU A 10 -4.301 10.686 32.352 1.00 0.00 C ATOM 159 OE1 GLU A 10 -4.966 10.897 33.352 1.00 0.00 O ATOM 160 OE2 GLU A 10 -4.705 10.567 31.207 1.00 0.00 O ATOM 0 H GLU A 10 -1.531 8.379 33.632 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.333 11.070 33.814 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.109 10.023 34.628 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.674 11.703 34.387 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.268 11.329 31.991 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.441 9.595 32.180 1.00 0.00 H new ATOM 167 N GLY A 11 -0.191 11.425 36.268 1.00 0.00 N ATOM 168 CA GLY A 11 0.098 11.496 37.723 1.00 0.00 C ATOM 169 C GLY A 11 0.083 12.946 38.193 1.00 0.00 C ATOM 170 O GLY A 11 0.114 13.856 37.387 1.00 0.00 O ATOM 0 H GLY A 11 0.054 12.256 35.729 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.643 10.919 38.277 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.070 11.049 37.930 1.00 0.00 H new ATOM 174 N THR A 12 0.032 13.129 39.491 1.00 0.00 N ATOM 175 CA THR A 12 0.013 14.509 40.042 1.00 0.00 C ATOM 176 C THR A 12 1.280 14.793 40.820 1.00 0.00 C ATOM 177 O THR A 12 1.634 14.062 41.724 1.00 0.00 O ATOM 178 CB THR A 12 -1.184 14.635 40.989 1.00 0.00 C ATOM 179 OG1 THR A 12 -2.303 14.221 40.234 1.00 0.00 O ATOM 180 CG2 THR A 12 -1.468 16.108 41.323 1.00 0.00 C ATOM 0 H THR A 12 0.003 12.382 40.185 1.00 0.00 H new ATOM 0 HA THR A 12 -0.061 15.220 39.220 1.00 0.00 H new ATOM 0 HB THR A 12 -0.993 14.068 41.900 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.110 14.277 40.788 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.322 16.170 41.997 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.594 16.547 41.804 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.689 16.653 40.405 1.00 0.00 H new ATOM 188 N VAL A 13 1.948 15.854 40.461 1.00 0.00 N ATOM 189 CA VAL A 13 3.200 16.185 41.186 1.00 0.00 C ATOM 190 C VAL A 13 2.916 16.431 42.650 1.00 0.00 C ATOM 191 O VAL A 13 2.282 17.405 43.012 1.00 0.00 O ATOM 192 CB VAL A 13 3.810 17.445 40.577 1.00 0.00 C ATOM 193 CG1 VAL A 13 5.254 17.588 41.061 1.00 0.00 C ATOM 194 CG2 VAL A 13 3.807 17.308 39.065 1.00 0.00 C ATOM 0 H VAL A 13 1.686 16.494 39.711 1.00 0.00 H new ATOM 0 HA VAL A 13 3.892 15.347 41.097 1.00 0.00 H new ATOM 0 HB VAL A 13 3.233 18.320 40.876 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.695 18.486 40.629 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.267 17.664 42.148 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.830 16.716 40.751 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.241 18.202 38.618 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.395 16.437 38.777 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.783 17.186 38.713 1.00 0.00 H new ATOM 204 N SER A 14 3.397 15.545 43.472 1.00 0.00 N ATOM 205 CA SER A 14 3.168 15.700 44.917 1.00 0.00 C ATOM 206 C SER A 14 4.278 16.503 45.593 1.00 0.00 C ATOM 207 O SER A 14 4.027 17.215 46.544 1.00 0.00 O ATOM 208 CB SER A 14 3.115 14.299 45.540 1.00 0.00 C ATOM 209 OG SER A 14 2.487 13.504 44.545 1.00 0.00 O ATOM 0 H SER A 14 3.937 14.724 43.199 1.00 0.00 H new ATOM 0 HA SER A 14 2.234 16.243 45.064 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.113 13.929 45.776 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.547 14.297 46.470 1.00 0.00 H new ATOM 0 HG SER A 14 1.592 13.858 44.360 1.00 0.00 H new ATOM 215 N GLU A 15 5.485 16.382 45.102 1.00 0.00 N ATOM 216 CA GLU A 15 6.592 17.152 45.740 1.00 0.00 C ATOM 217 C GLU A 15 7.702 17.454 44.746 1.00 0.00 C ATOM 218 O GLU A 15 8.084 16.608 43.963 1.00 0.00 O ATOM 219 CB GLU A 15 7.172 16.313 46.893 1.00 0.00 C ATOM 220 CG GLU A 15 7.779 17.250 47.946 1.00 0.00 C ATOM 221 CD GLU A 15 7.890 16.509 49.281 1.00 0.00 C ATOM 222 OE1 GLU A 15 7.052 16.785 50.125 1.00 0.00 O ATOM 223 OE2 GLU A 15 8.806 15.709 49.383 1.00 0.00 O ATOM 0 H GLU A 15 5.747 15.799 44.307 1.00 0.00 H new ATOM 0 HA GLU A 15 6.192 18.098 46.105 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.390 15.701 47.342 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.933 15.631 46.515 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.763 17.590 47.623 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.157 18.138 48.061 1.00 0.00 H new ATOM 230 N ALA A 16 8.206 18.662 44.804 1.00 0.00 N ATOM 231 CA ALA A 16 9.295 19.052 43.875 1.00 0.00 C ATOM 232 C ALA A 16 10.662 18.944 44.544 1.00 0.00 C ATOM 233 O ALA A 16 10.941 19.634 45.506 1.00 0.00 O ATOM 234 CB ALA A 16 9.071 20.513 43.455 1.00 0.00 C ATOM 0 H ALA A 16 7.907 19.388 45.455 1.00 0.00 H new ATOM 0 HA ALA A 16 9.277 18.382 43.016 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.862 20.820 42.771 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.105 20.605 42.958 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.087 21.152 44.338 1.00 0.00 H new ATOM 240 N LEU A 17 11.489 18.072 44.013 1.00 0.00 N ATOM 241 CA LEU A 17 12.850 17.885 44.587 1.00 0.00 C ATOM 242 C LEU A 17 13.893 18.508 43.652 1.00 0.00 C ATOM 243 O LEU A 17 13.646 18.663 42.474 1.00 0.00 O ATOM 244 CB LEU A 17 13.111 16.375 44.704 1.00 0.00 C ATOM 245 CG LEU A 17 11.828 15.703 45.157 1.00 0.00 C ATOM 246 CD1 LEU A 17 12.046 14.196 45.233 1.00 0.00 C ATOM 247 CD2 LEU A 17 11.445 16.230 46.537 1.00 0.00 C ATOM 0 H LEU A 17 11.275 17.485 43.207 1.00 0.00 H new ATOM 0 HA LEU A 17 12.918 18.364 45.564 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.433 15.970 43.745 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.913 16.182 45.417 1.00 0.00 H new ATOM 0 HG LEU A 17 11.030 15.920 44.447 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.126 13.711 45.558 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.327 13.819 44.250 1.00 0.00 H new ATOM 0 HD13 LEU A 17 12.842 13.979 45.946 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.524 15.750 46.867 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.243 16.009 47.245 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.294 17.308 46.486 1.00 0.00 H new ATOM 259 N PRO A 18 15.040 18.884 44.201 1.00 0.00 N ATOM 260 CA PRO A 18 16.105 19.488 43.400 1.00 0.00 C ATOM 261 C PRO A 18 16.530 18.592 42.239 1.00 0.00 C ATOM 262 O PRO A 18 15.842 17.667 41.870 1.00 0.00 O ATOM 263 CB PRO A 18 17.285 19.670 44.378 1.00 0.00 C ATOM 264 CG PRO A 18 16.785 19.250 45.796 1.00 0.00 C ATOM 265 CD PRO A 18 15.334 18.756 45.641 1.00 0.00 C ATOM 0 HA PRO A 18 15.771 20.424 42.953 1.00 0.00 H new ATOM 0 HB2 PRO A 18 18.134 19.058 44.073 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.624 20.706 44.382 1.00 0.00 H new ATOM 0 HG2 PRO A 18 17.417 18.464 46.209 1.00 0.00 H new ATOM 0 HG3 PRO A 18 16.833 20.093 46.486 1.00 0.00 H new ATOM 0 HD2 PRO A 18 15.231 17.724 45.975 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.647 19.355 46.239 1.00 0.00 H new ATOM 273 N ASN A 19 17.660 18.905 41.689 1.00 0.00 N ATOM 274 CA ASN A 19 18.181 18.112 40.552 1.00 0.00 C ATOM 275 C ASN A 19 17.103 17.848 39.491 1.00 0.00 C ATOM 276 O ASN A 19 17.123 16.837 38.821 1.00 0.00 O ATOM 277 CB ASN A 19 18.740 16.769 41.084 1.00 0.00 C ATOM 278 CG ASN A 19 17.597 15.807 41.424 1.00 0.00 C ATOM 279 OD1 ASN A 19 17.135 15.054 40.592 1.00 0.00 O ATOM 280 ND2 ASN A 19 17.122 15.789 42.642 1.00 0.00 N ATOM 0 H ASN A 19 18.251 19.683 41.980 1.00 0.00 H new ATOM 0 HA ASN A 19 18.973 18.687 40.072 1.00 0.00 H new ATOM 0 HB2 ASN A 19 19.392 16.318 40.336 1.00 0.00 H new ATOM 0 HB3 ASN A 19 19.348 16.948 41.971 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.369 15.146 42.886 1.00 0.00 H new ATOM 0 HD22 ASN A 19 17.504 16.418 43.348 1.00 0.00 H new ATOM 287 N ALA A 20 16.188 18.775 39.355 1.00 0.00 N ATOM 288 CA ALA A 20 15.102 18.602 38.343 1.00 0.00 C ATOM 289 C ALA A 20 14.394 17.258 38.489 1.00 0.00 C ATOM 290 O ALA A 20 14.337 16.475 37.555 1.00 0.00 O ATOM 291 CB ALA A 20 15.736 18.674 36.947 1.00 0.00 C ATOM 0 H ALA A 20 16.146 19.638 39.897 1.00 0.00 H new ATOM 0 HA ALA A 20 14.362 19.388 38.493 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.962 18.550 36.189 1.00 0.00 H new ATOM 0 HB2 ALA A 20 16.220 19.642 36.817 1.00 0.00 H new ATOM 0 HB3 ALA A 20 16.477 17.881 36.842 1.00 0.00 H new ATOM 297 N MET A 21 13.849 17.027 39.648 1.00 0.00 N ATOM 298 CA MET A 21 13.142 15.757 39.888 1.00 0.00 C ATOM 299 C MET A 21 12.031 15.973 40.895 1.00 0.00 C ATOM 300 O MET A 21 12.214 16.672 41.870 1.00 0.00 O ATOM 301 CB MET A 21 14.142 14.744 40.473 1.00 0.00 C ATOM 302 CG MET A 21 14.888 14.048 39.332 1.00 0.00 C ATOM 303 SD MET A 21 16.051 12.734 39.777 1.00 0.00 S ATOM 304 CE MET A 21 14.918 11.768 40.805 1.00 0.00 C ATOM 0 H MET A 21 13.867 17.671 40.439 1.00 0.00 H new ATOM 0 HA MET A 21 12.721 15.389 38.952 1.00 0.00 H new ATOM 0 HB2 MET A 21 14.850 15.252 41.128 1.00 0.00 H new ATOM 0 HB3 MET A 21 13.617 14.008 41.081 1.00 0.00 H new ATOM 0 HG2 MET A 21 14.147 13.626 38.653 1.00 0.00 H new ATOM 0 HG3 MET A 21 15.435 14.808 38.774 1.00 0.00 H new ATOM 0 HE1 MET A 21 15.283 10.744 40.885 1.00 0.00 H new ATOM 0 HE2 MET A 21 14.861 12.211 41.799 1.00 0.00 H new ATOM 0 HE3 MET A 21 13.927 11.766 40.351 1.00 0.00 H new ATOM 314 N PHE A 22 10.895 15.388 40.636 1.00 0.00 N ATOM 315 CA PHE A 22 9.753 15.548 41.576 1.00 0.00 C ATOM 316 C PHE A 22 9.131 14.212 41.923 1.00 0.00 C ATOM 317 O PHE A 22 9.342 13.224 41.248 1.00 0.00 O ATOM 318 CB PHE A 22 8.640 16.397 40.920 1.00 0.00 C ATOM 319 CG PHE A 22 9.176 17.243 39.772 1.00 0.00 C ATOM 320 CD1 PHE A 22 8.856 16.921 38.463 1.00 0.00 C ATOM 321 CD2 PHE A 22 9.878 18.407 40.023 1.00 0.00 C ATOM 322 CE1 PHE A 22 9.220 17.755 37.433 1.00 0.00 C ATOM 323 CE2 PHE A 22 10.240 19.239 38.988 1.00 0.00 C ATOM 324 CZ PHE A 22 9.908 18.914 37.696 1.00 0.00 C ATOM 0 H PHE A 22 10.709 14.809 39.817 1.00 0.00 H new ATOM 0 HA PHE A 22 10.147 16.026 42.473 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.852 15.741 40.551 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.188 17.046 41.670 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.317 16.009 38.251 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.144 18.665 41.037 1.00 0.00 H new ATOM 0 HE1 PHE A 22 8.965 17.499 36.415 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.786 20.148 39.192 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.188 19.571 36.886 1.00 0.00 H new ATOM 334 N LYS A 23 8.366 14.218 42.982 1.00 0.00 N ATOM 335 CA LYS A 23 7.696 12.979 43.422 1.00 0.00 C ATOM 336 C LYS A 23 6.235 13.068 43.026 1.00 0.00 C ATOM 337 O LYS A 23 5.481 13.830 43.602 1.00 0.00 O ATOM 338 CB LYS A 23 7.805 12.869 44.951 1.00 0.00 C ATOM 339 CG LYS A 23 7.704 11.397 45.355 1.00 0.00 C ATOM 340 CD LYS A 23 7.724 11.289 46.880 1.00 0.00 C ATOM 341 CE LYS A 23 9.172 11.358 47.373 1.00 0.00 C ATOM 342 NZ LYS A 23 10.039 10.431 46.590 1.00 0.00 N ATOM 0 H LYS A 23 8.181 15.038 43.559 1.00 0.00 H new ATOM 0 HA LYS A 23 8.159 12.106 42.962 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.752 13.288 45.292 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.011 13.445 45.427 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.786 10.962 44.960 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.533 10.833 44.928 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.139 12.096 47.321 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.264 10.352 47.196 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.545 12.378 47.281 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.214 11.098 48.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.811 10.084 47.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.472 9.626 46.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.439 10.936 45.774 1.00 0.00 H new ATOM 356 N VAL A 24 5.853 12.290 42.056 1.00 0.00 N ATOM 357 CA VAL A 24 4.446 12.327 41.609 1.00 0.00 C ATOM 358 C VAL A 24 3.615 11.267 42.276 1.00 0.00 C ATOM 359 O VAL A 24 4.120 10.244 42.674 1.00 0.00 O ATOM 360 CB VAL A 24 4.434 12.080 40.098 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.017 12.245 39.554 1.00 0.00 C ATOM 362 CG2 VAL A 24 5.341 13.096 39.425 1.00 0.00 C ATOM 0 H VAL A 24 6.455 11.634 41.558 1.00 0.00 H new ATOM 0 HA VAL A 24 4.020 13.296 41.870 1.00 0.00 H new ATOM 0 HB VAL A 24 4.783 11.067 39.896 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.017 12.068 38.479 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.355 11.528 40.040 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.666 13.257 39.755 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.339 12.928 38.348 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.980 14.102 39.636 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.356 12.987 39.807 1.00 0.00 H new ATOM 372 N LYS A 25 2.345 11.553 42.395 1.00 0.00 N ATOM 373 CA LYS A 25 1.410 10.584 43.035 1.00 0.00 C ATOM 374 C LYS A 25 0.311 10.199 42.051 1.00 0.00 C ATOM 375 O LYS A 25 -0.533 11.005 41.714 1.00 0.00 O ATOM 376 CB LYS A 25 0.771 11.250 44.267 1.00 0.00 C ATOM 377 CG LYS A 25 -0.229 10.283 44.916 1.00 0.00 C ATOM 378 CD LYS A 25 -1.163 11.076 45.830 1.00 0.00 C ATOM 379 CE LYS A 25 -0.419 11.438 47.118 1.00 0.00 C ATOM 380 NZ LYS A 25 0.491 12.596 46.888 1.00 0.00 N ATOM 0 H LYS A 25 1.914 12.420 42.075 1.00 0.00 H new ATOM 0 HA LYS A 25 1.958 9.690 43.331 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.543 11.526 44.985 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.265 12.170 43.974 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.804 9.764 44.149 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.300 9.521 45.488 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.503 11.981 45.326 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.051 10.487 46.062 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.135 11.681 47.903 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.156 10.580 47.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.418 13.258 47.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.471 12.257 46.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.219 13.082 46.009 1.00 0.00 H new ATOM 394 N LEU A 26 0.340 8.973 41.607 1.00 0.00 N ATOM 395 CA LEU A 26 -0.684 8.519 40.653 1.00 0.00 C ATOM 396 C LEU A 26 -2.068 8.507 41.283 1.00 0.00 C ATOM 397 O LEU A 26 -2.231 8.823 42.445 1.00 0.00 O ATOM 398 CB LEU A 26 -0.324 7.096 40.221 1.00 0.00 C ATOM 399 CG LEU A 26 0.995 7.133 39.451 1.00 0.00 C ATOM 400 CD1 LEU A 26 2.161 6.877 40.406 1.00 0.00 C ATOM 401 CD2 LEU A 26 0.976 6.042 38.383 1.00 0.00 C ATOM 0 H LEU A 26 1.033 8.272 41.870 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.707 9.203 39.805 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.234 6.448 41.093 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.114 6.680 39.596 1.00 0.00 H new ATOM 0 HG LEU A 26 1.117 8.112 38.987 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.099 6.905 39.851 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.174 7.646 41.179 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.043 5.898 40.870 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.914 6.060 37.828 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.855 5.069 38.859 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.146 6.217 37.699 1.00 0.00 H new ATOM 413 N GLU A 27 -3.042 8.144 40.498 1.00 0.00 N ATOM 414 CA GLU A 27 -4.429 8.101 41.022 1.00 0.00 C ATOM 415 C GLU A 27 -4.642 6.860 41.874 1.00 0.00 C ATOM 416 O GLU A 27 -5.513 6.829 42.720 1.00 0.00 O ATOM 417 CB GLU A 27 -5.397 8.058 39.831 1.00 0.00 C ATOM 418 CG GLU A 27 -5.338 9.396 39.096 1.00 0.00 C ATOM 419 CD GLU A 27 -6.356 9.395 37.955 1.00 0.00 C ATOM 420 OE1 GLU A 27 -6.098 10.107 36.999 1.00 0.00 O ATOM 421 OE2 GLU A 27 -7.335 8.682 38.104 1.00 0.00 O ATOM 0 H GLU A 27 -2.936 7.876 39.519 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.607 8.983 41.637 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.128 7.245 39.156 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.412 7.863 40.177 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.550 10.212 39.787 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.335 9.564 38.703 1.00 0.00 H new ATOM 428 N ASN A 28 -3.844 5.855 41.636 1.00 0.00 N ATOM 429 CA ASN A 28 -3.991 4.610 42.426 1.00 0.00 C ATOM 430 C ASN A 28 -3.638 4.860 43.885 1.00 0.00 C ATOM 431 O ASN A 28 -3.955 4.064 44.748 1.00 0.00 O ATOM 432 CB ASN A 28 -3.031 3.554 41.860 1.00 0.00 C ATOM 433 CG ASN A 28 -1.757 4.238 41.363 1.00 0.00 C ATOM 434 OD1 ASN A 28 -1.586 4.474 40.183 1.00 0.00 O ATOM 435 ND2 ASN A 28 -0.837 4.569 42.228 1.00 0.00 N ATOM 0 H ASN A 28 -3.104 5.846 40.934 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.024 4.268 42.364 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.787 2.820 42.628 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.509 3.013 41.043 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.020 5.023 41.912 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.975 4.373 43.219 1.00 0.00 H new ATOM 442 N GLY A 29 -2.979 5.969 44.131 1.00 0.00 N ATOM 443 CA GLY A 29 -2.589 6.305 45.533 1.00 0.00 C ATOM 444 C GLY A 29 -1.078 6.149 45.737 1.00 0.00 C ATOM 445 O GLY A 29 -0.555 6.521 46.769 1.00 0.00 O ATOM 0 H GLY A 29 -2.697 6.650 43.425 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.886 7.329 45.761 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.122 5.656 46.228 1.00 0.00 H new ATOM 449 N HIS A 30 -0.404 5.603 44.751 1.00 0.00 N ATOM 450 CA HIS A 30 1.066 5.424 44.889 1.00 0.00 C ATOM 451 C HIS A 30 1.808 6.577 44.245 1.00 0.00 C ATOM 452 O HIS A 30 1.199 7.456 43.667 1.00 0.00 O ATOM 453 CB HIS A 30 1.455 4.123 44.186 1.00 0.00 C ATOM 454 CG HIS A 30 0.461 3.043 44.587 1.00 0.00 C ATOM 455 ND1 HIS A 30 -0.497 2.663 43.887 1.00 0.00 N ATOM 456 CD2 HIS A 30 0.377 2.316 45.754 1.00 0.00 C ATOM 457 CE1 HIS A 30 -1.180 1.781 44.477 1.00 0.00 C ATOM 458 NE2 HIS A 30 -0.697 1.487 45.686 1.00 0.00 N ATOM 0 H HIS A 30 -0.806 5.280 43.871 1.00 0.00 H new ATOM 0 HA HIS A 30 1.330 5.391 45.946 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.450 4.260 43.105 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.467 3.829 44.465 1.00 0.00 H new ATOM 0 HD2 HIS A 30 1.057 2.393 46.590 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -2.057 1.316 44.051 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -1.042 0.819 46.375 1.00 0.00 H new ATOM 466 N GLU A 31 3.117 6.562 44.361 1.00 0.00 N ATOM 467 CA GLU A 31 3.907 7.654 43.758 1.00 0.00 C ATOM 468 C GLU A 31 5.154 7.137 43.081 1.00 0.00 C ATOM 469 O GLU A 31 5.613 6.044 43.355 1.00 0.00 O ATOM 470 CB GLU A 31 4.306 8.652 44.860 1.00 0.00 C ATOM 471 CG GLU A 31 4.622 7.885 46.146 1.00 0.00 C ATOM 472 CD GLU A 31 4.914 8.884 47.270 1.00 0.00 C ATOM 473 OE1 GLU A 31 5.792 8.572 48.058 1.00 0.00 O ATOM 474 OE2 GLU A 31 4.240 9.902 47.278 1.00 0.00 O ATOM 0 H GLU A 31 3.656 5.844 44.844 1.00 0.00 H new ATOM 0 HA GLU A 31 3.291 8.140 43.001 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.174 9.231 44.545 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.497 9.361 45.035 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.781 7.248 46.419 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.481 7.231 45.992 1.00 0.00 H new ATOM 481 N ILE A 32 5.687 7.947 42.202 1.00 0.00 N ATOM 482 CA ILE A 32 6.912 7.536 41.480 1.00 0.00 C ATOM 483 C ILE A 32 7.836 8.719 41.254 1.00 0.00 C ATOM 484 O ILE A 32 7.418 9.857 41.332 1.00 0.00 O ATOM 485 CB ILE A 32 6.500 6.984 40.136 1.00 0.00 C ATOM 486 CG1 ILE A 32 5.814 5.636 40.315 1.00 0.00 C ATOM 487 CG2 ILE A 32 7.758 6.788 39.279 1.00 0.00 C ATOM 488 CD1 ILE A 32 5.145 5.233 39.001 1.00 0.00 C ATOM 0 H ILE A 32 5.324 8.869 41.959 1.00 0.00 H new ATOM 0 HA ILE A 32 7.442 6.791 42.074 1.00 0.00 H new ATOM 0 HB ILE A 32 5.811 7.678 39.654 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.542 4.881 40.613 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.072 5.695 41.111 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.476 6.389 38.304 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.261 7.746 39.147 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.431 6.089 39.776 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.653 4.268 39.124 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.406 5.985 38.723 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.899 5.158 38.217 1.00 0.00 H new ATOM 500 N LEU A 33 9.075 8.435 40.973 1.00 0.00 N ATOM 501 CA LEU A 33 10.025 9.533 40.742 1.00 0.00 C ATOM 502 C LEU A 33 9.968 9.955 39.289 1.00 0.00 C ATOM 503 O LEU A 33 10.012 9.120 38.407 1.00 0.00 O ATOM 504 CB LEU A 33 11.441 9.029 41.069 1.00 0.00 C ATOM 505 CG LEU A 33 11.603 8.947 42.590 1.00 0.00 C ATOM 506 CD1 LEU A 33 10.354 8.302 43.197 1.00 0.00 C ATOM 507 CD2 LEU A 33 12.823 8.087 42.924 1.00 0.00 C ATOM 0 H LEU A 33 9.461 7.494 40.896 1.00 0.00 H new ATOM 0 HA LEU A 33 9.772 10.385 41.373 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.605 8.050 40.620 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.187 9.702 40.647 1.00 0.00 H new ATOM 0 HG LEU A 33 11.736 9.949 42.997 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.465 8.242 44.280 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.479 8.905 42.955 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.227 7.299 42.789 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.941 8.027 44.006 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.684 7.085 42.518 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.715 8.535 42.486 1.00 0.00 H new ATOM 519 N CYS A 34 9.862 11.243 39.059 1.00 0.00 N ATOM 520 CA CYS A 34 9.798 11.726 37.656 1.00 0.00 C ATOM 521 C CYS A 34 10.740 12.896 37.433 1.00 0.00 C ATOM 522 O CYS A 34 10.801 13.810 38.230 1.00 0.00 O ATOM 523 CB CYS A 34 8.363 12.187 37.376 1.00 0.00 C ATOM 524 SG CYS A 34 7.021 11.123 37.963 1.00 0.00 S ATOM 0 H CYS A 34 9.818 11.967 39.776 1.00 0.00 H new ATOM 0 HA CYS A 34 10.094 10.917 36.989 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.232 13.173 37.822 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.251 12.308 36.298 1.00 0.00 H new ATOM 0 HG CYS A 34 7.266 10.749 39.184 1.00 0.00 H new ATOM 530 N HIS A 35 11.451 12.841 36.341 1.00 0.00 N ATOM 531 CA HIS A 35 12.407 13.931 36.018 1.00 0.00 C ATOM 532 C HIS A 35 11.824 14.855 34.958 1.00 0.00 C ATOM 533 O HIS A 35 10.775 14.594 34.412 1.00 0.00 O ATOM 534 CB HIS A 35 13.685 13.282 35.459 1.00 0.00 C ATOM 535 CG HIS A 35 14.897 14.161 35.766 1.00 0.00 C ATOM 536 ND1 HIS A 35 15.753 13.914 36.642 1.00 0.00 N ATOM 537 CD2 HIS A 35 15.312 15.338 35.170 1.00 0.00 C ATOM 538 CE1 HIS A 35 16.662 14.797 36.667 1.00 0.00 C ATOM 539 NE2 HIS A 35 16.467 15.754 35.761 1.00 0.00 N ATOM 0 H HIS A 35 11.409 12.085 35.658 1.00 0.00 H new ATOM 0 HA HIS A 35 12.616 14.515 36.914 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.822 12.294 35.898 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.590 13.142 34.382 1.00 0.00 H new ATOM 0 HD1 HIS A 35 15.724 13.103 37.260 1.00 0.00 H new ATOM 0 HD2 HIS A 35 14.802 15.846 34.365 1.00 0.00 H new ATOM 0 HE1 HIS A 35 17.501 14.776 37.347 1.00 0.00 H new ATOM 547 N ILE A 36 12.517 15.921 34.685 1.00 0.00 N ATOM 548 CA ILE A 36 12.019 16.872 33.665 1.00 0.00 C ATOM 549 C ILE A 36 12.550 16.547 32.274 1.00 0.00 C ATOM 550 O ILE A 36 13.476 15.774 32.123 1.00 0.00 O ATOM 551 CB ILE A 36 12.500 18.262 34.052 1.00 0.00 C ATOM 552 CG1 ILE A 36 11.614 18.809 35.151 1.00 0.00 C ATOM 553 CG2 ILE A 36 12.393 19.193 32.829 1.00 0.00 C ATOM 554 CD1 ILE A 36 12.424 19.788 36.017 1.00 0.00 C ATOM 0 H ILE A 36 13.403 16.172 35.123 1.00 0.00 H new ATOM 0 HA ILE A 36 10.931 16.809 33.632 1.00 0.00 H new ATOM 0 HB ILE A 36 13.533 18.207 34.395 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.751 19.316 34.720 1.00 0.00 H new ATOM 0 HG13 ILE A 36 11.231 17.994 35.765 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.737 20.191 33.100 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.012 18.804 32.020 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.355 19.244 32.500 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.789 20.184 36.810 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.273 19.266 36.459 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.785 20.609 35.397 1.00 0.00 H new ATOM 566 N SER A 37 11.937 17.154 31.283 1.00 0.00 N ATOM 567 CA SER A 37 12.359 16.926 29.883 1.00 0.00 C ATOM 568 C SER A 37 12.602 18.265 29.187 1.00 0.00 C ATOM 569 O SER A 37 12.131 19.292 29.638 1.00 0.00 O ATOM 570 CB SER A 37 11.237 16.173 29.151 1.00 0.00 C ATOM 571 OG SER A 37 11.694 14.828 29.100 1.00 0.00 O ATOM 0 H SER A 37 11.157 17.801 31.396 1.00 0.00 H new ATOM 0 HA SER A 37 13.281 16.345 29.868 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.290 16.252 29.685 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.073 16.576 28.152 1.00 0.00 H new ATOM 0 HG SER A 37 11.769 14.543 28.165 1.00 0.00 H new ATOM 577 N GLY A 38 13.332 18.237 28.108 1.00 0.00 N ATOM 578 CA GLY A 38 13.610 19.511 27.379 1.00 0.00 C ATOM 579 C GLY A 38 12.435 19.913 26.475 1.00 0.00 C ATOM 580 O GLY A 38 12.307 21.064 26.098 1.00 0.00 O ATOM 0 H GLY A 38 13.746 17.398 27.700 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.806 20.307 28.098 1.00 0.00 H new ATOM 0 HA3 GLY A 38 14.511 19.397 26.776 1.00 0.00 H new ATOM 584 N LYS A 39 11.597 18.966 26.150 1.00 0.00 N ATOM 585 CA LYS A 39 10.443 19.292 25.277 1.00 0.00 C ATOM 586 C LYS A 39 9.458 20.193 25.982 1.00 0.00 C ATOM 587 O LYS A 39 9.219 21.304 25.559 1.00 0.00 O ATOM 588 CB LYS A 39 9.732 17.981 24.903 1.00 0.00 C ATOM 589 CG LYS A 39 10.437 17.343 23.698 1.00 0.00 C ATOM 590 CD LYS A 39 9.482 17.329 22.502 1.00 0.00 C ATOM 591 CE LYS A 39 9.247 18.764 22.019 1.00 0.00 C ATOM 592 NZ LYS A 39 8.415 18.766 20.784 1.00 0.00 N ATOM 0 H LYS A 39 11.663 17.993 26.449 1.00 0.00 H new ATOM 0 HA LYS A 39 10.810 19.811 24.391 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.743 17.295 25.750 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.687 18.177 24.665 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.339 17.903 23.451 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.749 16.327 23.941 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.901 16.727 21.696 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.535 16.869 22.785 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.752 19.341 22.800 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.203 19.249 21.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.264 19.745 20.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.903 18.233 20.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.496 18.321 20.984 1.00 0.00 H new ATOM 606 N LEU A 40 8.898 19.712 27.040 1.00 0.00 N ATOM 607 CA LEU A 40 7.932 20.542 27.768 1.00 0.00 C ATOM 608 C LEU A 40 8.553 21.885 28.086 1.00 0.00 C ATOM 609 O LEU A 40 7.863 22.853 28.335 1.00 0.00 O ATOM 610 CB LEU A 40 7.540 19.809 29.070 1.00 0.00 C ATOM 611 CG LEU A 40 8.511 20.175 30.194 1.00 0.00 C ATOM 612 CD1 LEU A 40 7.923 21.332 31.005 1.00 0.00 C ATOM 613 CD2 LEU A 40 8.694 18.964 31.111 1.00 0.00 C ATOM 0 H LEU A 40 9.068 18.784 27.429 1.00 0.00 H new ATOM 0 HA LEU A 40 7.043 20.709 27.160 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.523 20.078 29.356 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.550 18.731 28.907 1.00 0.00 H new ATOM 0 HG LEU A 40 9.472 20.469 29.772 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.609 21.599 31.809 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.774 22.194 30.354 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.967 21.029 31.431 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.385 19.217 31.915 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.731 18.681 31.536 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.096 18.130 30.536 1.00 0.00 H new ATOM 625 N ARG A 41 9.856 21.921 28.058 1.00 0.00 N ATOM 626 CA ARG A 41 10.547 23.185 28.356 1.00 0.00 C ATOM 627 C ARG A 41 10.357 24.173 27.219 1.00 0.00 C ATOM 628 O ARG A 41 10.110 25.340 27.444 1.00 0.00 O ATOM 629 CB ARG A 41 12.047 22.898 28.527 1.00 0.00 C ATOM 630 CG ARG A 41 12.458 23.237 29.961 1.00 0.00 C ATOM 631 CD ARG A 41 12.515 24.759 30.119 1.00 0.00 C ATOM 632 NE ARG A 41 12.871 25.086 31.528 1.00 0.00 N ATOM 633 CZ ARG A 41 11.951 25.032 32.451 1.00 0.00 C ATOM 634 NH1 ARG A 41 10.873 25.755 32.312 1.00 0.00 N ATOM 635 NH2 ARG A 41 12.137 24.252 33.482 1.00 0.00 N ATOM 0 H ARG A 41 10.461 21.129 27.842 1.00 0.00 H new ATOM 0 HA ARG A 41 10.133 23.614 29.268 1.00 0.00 H new ATOM 0 HB2 ARG A 41 12.257 21.850 28.313 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.627 23.490 27.819 1.00 0.00 H new ATOM 0 HG2 ARG A 41 11.745 22.812 30.667 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.430 22.799 30.187 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.252 25.181 29.436 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.552 25.201 29.861 1.00 0.00 H new ATOM 0 HE ARG A 41 13.826 25.350 31.769 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.760 26.350 31.491 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.143 25.725 33.024 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.991 23.698 33.555 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.429 24.197 34.214 1.00 0.00 H new ATOM 649 N MET A 42 10.473 23.690 26.010 1.00 0.00 N ATOM 650 CA MET A 42 10.301 24.596 24.859 1.00 0.00 C ATOM 651 C MET A 42 8.834 24.991 24.677 1.00 0.00 C ATOM 652 O MET A 42 8.537 26.004 24.077 1.00 0.00 O ATOM 653 CB MET A 42 10.813 23.888 23.580 1.00 0.00 C ATOM 654 CG MET A 42 9.908 22.698 23.220 1.00 0.00 C ATOM 655 SD MET A 42 9.509 22.465 21.469 1.00 0.00 S ATOM 656 CE MET A 42 8.769 24.092 21.185 1.00 0.00 C ATOM 0 H MET A 42 10.677 22.717 25.780 1.00 0.00 H new ATOM 0 HA MET A 42 10.873 25.505 25.043 1.00 0.00 H new ATOM 0 HB2 MET A 42 10.838 24.596 22.752 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.835 23.541 23.734 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.386 21.788 23.582 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.972 22.806 23.769 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.099 24.042 20.326 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.206 24.395 22.068 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.556 24.821 20.990 1.00 0.00 H new ATOM 666 N ASN A 43 7.936 24.183 25.200 1.00 0.00 N ATOM 667 CA ASN A 43 6.499 24.520 25.052 1.00 0.00 C ATOM 668 C ASN A 43 6.158 25.781 25.841 1.00 0.00 C ATOM 669 O ASN A 43 5.008 26.162 25.943 1.00 0.00 O ATOM 670 CB ASN A 43 5.664 23.352 25.597 1.00 0.00 C ATOM 671 CG ASN A 43 5.554 22.266 24.526 1.00 0.00 C ATOM 672 OD1 ASN A 43 6.432 21.440 24.370 1.00 0.00 O ATOM 673 ND2 ASN A 43 4.495 22.231 23.765 1.00 0.00 N ATOM 0 H ASN A 43 8.140 23.324 25.711 1.00 0.00 H new ATOM 0 HA ASN A 43 6.280 24.695 23.999 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.128 22.947 26.496 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.671 23.701 25.881 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.408 21.514 23.045 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.754 22.921 23.890 1.00 0.00 H new ATOM 680 N PHE A 44 7.169 26.410 26.383 1.00 0.00 N ATOM 681 CA PHE A 44 6.929 27.647 27.170 1.00 0.00 C ATOM 682 C PHE A 44 5.792 27.441 28.179 1.00 0.00 C ATOM 683 O PHE A 44 4.654 27.788 27.930 1.00 0.00 O ATOM 684 CB PHE A 44 6.558 28.784 26.190 1.00 0.00 C ATOM 685 CG PHE A 44 7.730 29.767 26.095 1.00 0.00 C ATOM 686 CD1 PHE A 44 8.779 29.530 25.223 1.00 0.00 C ATOM 687 CD2 PHE A 44 7.757 30.905 26.885 1.00 0.00 C ATOM 688 CE1 PHE A 44 9.835 30.415 25.144 1.00 0.00 C ATOM 689 CE2 PHE A 44 8.815 31.787 26.802 1.00 0.00 C ATOM 690 CZ PHE A 44 9.852 31.542 25.931 1.00 0.00 C ATOM 0 H PHE A 44 8.144 26.119 26.313 1.00 0.00 H new ATOM 0 HA PHE A 44 7.831 27.902 27.727 1.00 0.00 H new ATOM 0 HB2 PHE A 44 6.331 28.373 25.206 1.00 0.00 H new ATOM 0 HB3 PHE A 44 5.662 29.300 26.535 1.00 0.00 H new ATOM 0 HD1 PHE A 44 8.771 28.647 24.601 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.945 31.103 27.570 1.00 0.00 H new ATOM 0 HE1 PHE A 44 10.650 30.222 24.462 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.829 32.671 27.422 1.00 0.00 H new ATOM 0 HZ PHE A 44 10.678 32.234 25.866 1.00 0.00 H new ATOM 700 N ILE A 45 6.132 26.858 29.300 1.00 0.00 N ATOM 701 CA ILE A 45 5.112 26.611 30.345 1.00 0.00 C ATOM 702 C ILE A 45 5.716 26.828 31.728 1.00 0.00 C ATOM 703 O ILE A 45 6.886 26.569 31.935 1.00 0.00 O ATOM 704 CB ILE A 45 4.644 25.151 30.243 1.00 0.00 C ATOM 705 CG1 ILE A 45 4.148 24.836 28.829 1.00 0.00 C ATOM 706 CG2 ILE A 45 3.484 24.940 31.231 1.00 0.00 C ATOM 707 CD1 ILE A 45 2.767 25.470 28.608 1.00 0.00 C ATOM 0 H ILE A 45 7.075 26.545 29.531 1.00 0.00 H new ATOM 0 HA ILE A 45 4.277 27.297 30.200 1.00 0.00 H new ATOM 0 HB ILE A 45 5.482 24.493 30.476 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.855 25.217 28.092 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.090 23.757 28.686 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.139 23.908 31.172 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.826 25.151 32.244 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.664 25.612 30.978 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.419 25.243 27.600 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.061 25.068 29.335 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.839 26.551 28.732 1.00 0.00 H new ATOM 719 N ARG A 46 4.909 27.301 32.653 1.00 0.00 N ATOM 720 CA ARG A 46 5.428 27.537 34.025 1.00 0.00 C ATOM 721 C ARG A 46 4.436 27.077 35.086 1.00 0.00 C ATOM 722 O ARG A 46 3.781 27.884 35.715 1.00 0.00 O ATOM 723 CB ARG A 46 5.678 29.044 34.207 1.00 0.00 C ATOM 724 CG ARG A 46 4.394 29.814 33.880 1.00 0.00 C ATOM 725 CD ARG A 46 4.042 30.739 35.055 1.00 0.00 C ATOM 726 NE ARG A 46 4.965 31.911 35.047 1.00 0.00 N ATOM 727 CZ ARG A 46 4.827 32.841 35.955 1.00 0.00 C ATOM 728 NH1 ARG A 46 5.833 33.633 36.204 1.00 0.00 N ATOM 729 NH2 ARG A 46 3.688 32.946 36.583 1.00 0.00 N ATOM 0 H ARG A 46 3.925 27.529 32.511 1.00 0.00 H new ATOM 0 HA ARG A 46 6.349 26.967 34.145 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.989 29.252 35.231 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.488 29.371 33.555 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.529 30.399 32.970 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.577 29.118 33.693 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.008 31.074 34.973 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.128 30.199 35.998 1.00 0.00 H new ATOM 0 HE ARG A 46 5.696 31.986 34.340 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.709 33.521 35.693 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.744 34.365 36.909 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.923 32.308 36.362 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.562 33.666 37.295 1.00 0.00 H new ATOM 743 N ILE A 47 4.351 25.781 35.263 1.00 0.00 N ATOM 744 CA ILE A 47 3.414 25.230 36.278 1.00 0.00 C ATOM 745 C ILE A 47 4.200 24.740 37.496 1.00 0.00 C ATOM 746 O ILE A 47 5.329 24.310 37.365 1.00 0.00 O ATOM 747 CB ILE A 47 2.656 24.062 35.652 1.00 0.00 C ATOM 748 CG1 ILE A 47 1.621 24.599 34.662 1.00 0.00 C ATOM 749 CG2 ILE A 47 1.922 23.308 36.767 1.00 0.00 C ATOM 750 CD1 ILE A 47 1.222 23.494 33.678 1.00 0.00 C ATOM 0 H ILE A 47 4.891 25.086 34.747 1.00 0.00 H new ATOM 0 HA ILE A 47 2.715 26.002 36.598 1.00 0.00 H new ATOM 0 HB ILE A 47 3.352 23.402 35.134 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.742 24.956 35.199 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.031 25.451 34.120 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.374 22.469 36.339 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.646 22.937 37.492 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.224 23.982 37.263 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.485 23.882 32.975 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.103 23.158 33.131 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.794 22.655 34.227 1.00 0.00 H new ATOM 762 N LEU A 48 3.586 24.808 38.662 1.00 0.00 N ATOM 763 CA LEU A 48 4.295 24.352 39.903 1.00 0.00 C ATOM 764 C LEU A 48 3.697 23.072 40.481 1.00 0.00 C ATOM 765 O LEU A 48 2.610 22.664 40.121 1.00 0.00 O ATOM 766 CB LEU A 48 4.165 25.462 40.955 1.00 0.00 C ATOM 767 CG LEU A 48 4.828 26.735 40.427 1.00 0.00 C ATOM 768 CD1 LEU A 48 4.207 27.951 41.119 1.00 0.00 C ATOM 769 CD2 LEU A 48 6.325 26.691 40.739 1.00 0.00 C ATOM 0 H LEU A 48 2.637 25.155 38.804 1.00 0.00 H new ATOM 0 HA LEU A 48 5.333 24.146 39.644 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.114 25.649 41.175 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.636 25.152 41.888 1.00 0.00 H new ATOM 0 HG LEU A 48 4.678 26.807 39.350 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.677 28.861 40.746 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.138 27.982 40.910 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.364 27.877 42.195 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.802 27.597 40.364 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.470 26.624 41.817 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.771 25.821 40.258 1.00 0.00 H new ATOM 781 N GLU A 49 4.437 22.467 41.380 1.00 0.00 N ATOM 782 CA GLU A 49 3.970 21.221 42.017 1.00 0.00 C ATOM 783 C GLU A 49 2.487 21.282 42.336 1.00 0.00 C ATOM 784 O GLU A 49 1.935 22.348 42.533 1.00 0.00 O ATOM 785 CB GLU A 49 4.751 21.027 43.328 1.00 0.00 C ATOM 786 CG GLU A 49 5.142 22.396 43.890 1.00 0.00 C ATOM 787 CD GLU A 49 5.320 22.290 45.406 1.00 0.00 C ATOM 788 OE1 GLU A 49 4.320 22.020 46.052 1.00 0.00 O ATOM 789 OE2 GLU A 49 6.446 22.483 45.833 1.00 0.00 O ATOM 0 H GLU A 49 5.350 22.795 41.694 1.00 0.00 H new ATOM 0 HA GLU A 49 4.137 20.393 41.328 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.142 20.485 44.051 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.643 20.426 43.148 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.067 22.741 43.427 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.373 23.132 43.653 1.00 0.00 H new ATOM 796 N GLY A 50 1.865 20.133 42.380 1.00 0.00 N ATOM 797 CA GLY A 50 0.409 20.097 42.684 1.00 0.00 C ATOM 798 C GLY A 50 -0.389 20.009 41.388 1.00 0.00 C ATOM 799 O GLY A 50 -1.575 19.749 41.398 1.00 0.00 O ATOM 0 H GLY A 50 2.301 19.225 42.219 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.182 19.241 43.320 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.122 20.991 43.238 1.00 0.00 H new ATOM 803 N ASP A 51 0.287 20.230 40.294 1.00 0.00 N ATOM 804 CA ASP A 51 -0.399 20.167 38.990 1.00 0.00 C ATOM 805 C ASP A 51 -0.291 18.772 38.391 1.00 0.00 C ATOM 806 O ASP A 51 0.648 18.051 38.661 1.00 0.00 O ATOM 807 CB ASP A 51 0.279 21.160 38.045 1.00 0.00 C ATOM 808 CG ASP A 51 -0.605 22.402 37.889 1.00 0.00 C ATOM 809 OD1 ASP A 51 -0.498 23.255 38.755 1.00 0.00 O ATOM 810 OD2 ASP A 51 -1.333 22.427 36.912 1.00 0.00 O ATOM 0 H ASP A 51 1.282 20.450 40.255 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.453 20.409 39.127 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.256 21.443 38.437 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.448 20.696 37.073 1.00 0.00 H new ATOM 815 N LYS A 52 -1.251 18.414 37.583 1.00 0.00 N ATOM 816 CA LYS A 52 -1.212 17.083 36.969 1.00 0.00 C ATOM 817 C LYS A 52 -0.258 17.035 35.815 1.00 0.00 C ATOM 818 O LYS A 52 -0.068 18.004 35.108 1.00 0.00 O ATOM 819 CB LYS A 52 -2.620 16.718 36.479 1.00 0.00 C ATOM 820 CG LYS A 52 -3.528 16.498 37.691 1.00 0.00 C ATOM 821 CD LYS A 52 -4.684 15.579 37.292 1.00 0.00 C ATOM 822 CE LYS A 52 -5.384 15.071 38.553 1.00 0.00 C ATOM 823 NZ LYS A 52 -6.614 14.315 38.190 1.00 0.00 N ATOM 0 H LYS A 52 -2.052 18.992 37.330 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.869 16.370 37.719 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.018 17.514 35.850 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.584 15.817 35.867 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.961 16.055 38.510 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.913 17.452 38.050 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.391 16.118 36.662 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.311 14.739 36.706 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.708 14.430 39.119 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.642 15.911 39.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.081 13.975 39.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.263 14.938 37.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.359 13.503 37.592 1.00 0.00 H new ATOM 837 N VAL A 53 0.333 15.893 35.647 1.00 0.00 N ATOM 838 CA VAL A 53 1.291 15.735 34.545 1.00 0.00 C ATOM 839 C VAL A 53 1.317 14.309 34.026 1.00 0.00 C ATOM 840 O VAL A 53 0.867 13.397 34.690 1.00 0.00 O ATOM 841 CB VAL A 53 2.665 16.062 35.110 1.00 0.00 C ATOM 842 CG1 VAL A 53 2.658 17.495 35.610 1.00 0.00 C ATOM 843 CG2 VAL A 53 2.967 15.124 36.283 1.00 0.00 C ATOM 0 H VAL A 53 0.190 15.067 36.228 1.00 0.00 H new ATOM 0 HA VAL A 53 1.007 16.388 33.720 1.00 0.00 H new ATOM 0 HB VAL A 53 3.424 15.937 34.337 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.638 17.743 36.018 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.428 18.168 34.784 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.903 17.605 36.388 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.951 15.356 36.690 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.213 15.257 37.059 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.952 14.091 35.936 1.00 0.00 H new ATOM 853 N ASN A 54 1.853 14.140 32.840 1.00 0.00 N ATOM 854 CA ASN A 54 1.919 12.781 32.267 1.00 0.00 C ATOM 855 C ASN A 54 3.279 12.194 32.581 1.00 0.00 C ATOM 856 O ASN A 54 4.296 12.764 32.234 1.00 0.00 O ATOM 857 CB ASN A 54 1.722 12.862 30.746 1.00 0.00 C ATOM 858 CG ASN A 54 0.383 12.213 30.381 1.00 0.00 C ATOM 859 OD1 ASN A 54 0.319 11.053 30.026 1.00 0.00 O ATOM 860 ND2 ASN A 54 -0.709 12.927 30.452 1.00 0.00 N ATOM 0 H ASN A 54 2.241 14.883 32.258 1.00 0.00 H new ATOM 0 HA ASN A 54 1.138 12.150 32.692 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.738 13.902 30.419 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.539 12.354 30.233 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.608 12.510 30.210 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.663 13.902 30.749 1.00 0.00 H new ATOM 867 N VAL A 55 3.275 11.065 33.232 1.00 0.00 N ATOM 868 CA VAL A 55 4.556 10.419 33.590 1.00 0.00 C ATOM 869 C VAL A 55 4.876 9.223 32.705 1.00 0.00 C ATOM 870 O VAL A 55 4.072 8.326 32.549 1.00 0.00 O ATOM 871 CB VAL A 55 4.417 9.917 35.033 1.00 0.00 C ATOM 872 CG1 VAL A 55 5.725 9.262 35.482 1.00 0.00 C ATOM 873 CG2 VAL A 55 4.102 11.102 35.947 1.00 0.00 C ATOM 0 H VAL A 55 2.437 10.566 33.529 1.00 0.00 H new ATOM 0 HA VAL A 55 5.359 11.146 33.464 1.00 0.00 H new ATOM 0 HB VAL A 55 3.612 9.184 35.087 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.621 8.907 36.507 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.954 8.420 34.828 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.533 9.991 35.431 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.002 10.752 36.975 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.910 11.831 35.889 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.169 11.568 35.630 1.00 0.00 H new ATOM 883 N GLU A 56 6.058 9.240 32.143 1.00 0.00 N ATOM 884 CA GLU A 56 6.476 8.122 31.265 1.00 0.00 C ATOM 885 C GLU A 56 7.389 7.195 32.048 1.00 0.00 C ATOM 886 O GLU A 56 8.478 7.575 32.426 1.00 0.00 O ATOM 887 CB GLU A 56 7.256 8.690 30.072 1.00 0.00 C ATOM 888 CG GLU A 56 6.586 9.977 29.595 1.00 0.00 C ATOM 889 CD GLU A 56 7.400 10.563 28.444 1.00 0.00 C ATOM 890 OE1 GLU A 56 8.516 10.962 28.724 1.00 0.00 O ATOM 891 OE2 GLU A 56 6.863 10.574 27.348 1.00 0.00 O ATOM 0 H GLU A 56 6.747 9.983 32.258 1.00 0.00 H new ATOM 0 HA GLU A 56 5.599 7.577 30.915 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.288 8.889 30.360 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.286 7.961 29.262 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.566 9.772 29.269 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.521 10.694 30.414 1.00 0.00 H new ATOM 898 N LEU A 57 6.931 6.000 32.287 1.00 0.00 N ATOM 899 CA LEU A 57 7.768 5.041 33.049 1.00 0.00 C ATOM 900 C LEU A 57 8.688 4.239 32.131 1.00 0.00 C ATOM 901 O LEU A 57 8.341 3.941 31.002 1.00 0.00 O ATOM 902 CB LEU A 57 6.829 4.070 33.780 1.00 0.00 C ATOM 903 CG LEU A 57 5.820 4.873 34.609 1.00 0.00 C ATOM 904 CD1 LEU A 57 4.672 3.954 35.039 1.00 0.00 C ATOM 905 CD2 LEU A 57 6.518 5.420 35.852 1.00 0.00 C ATOM 0 H LEU A 57 6.020 5.649 31.990 1.00 0.00 H new ATOM 0 HA LEU A 57 8.393 5.599 33.746 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.307 3.439 33.061 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.404 3.407 34.427 1.00 0.00 H new ATOM 0 HG LEU A 57 5.426 5.696 34.013 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.953 4.522 35.629 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.178 3.550 34.155 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.067 3.135 35.640 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.806 5.993 36.447 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.904 4.592 36.446 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.342 6.067 35.551 1.00 0.00 H new ATOM 917 N SER A 58 9.854 3.900 32.640 1.00 0.00 N ATOM 918 CA SER A 58 10.817 3.116 31.813 1.00 0.00 C ATOM 919 C SER A 58 10.572 1.591 31.962 1.00 0.00 C ATOM 920 O SER A 58 10.389 1.100 33.058 1.00 0.00 O ATOM 921 CB SER A 58 12.236 3.430 32.314 1.00 0.00 C ATOM 922 OG SER A 58 12.743 4.354 31.362 1.00 0.00 O ATOM 0 H SER A 58 10.172 4.132 33.581 1.00 0.00 H new ATOM 0 HA SER A 58 10.688 3.388 30.765 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.219 3.859 33.316 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.850 2.531 32.363 1.00 0.00 H new ATOM 0 HG SER A 58 13.655 4.612 31.610 1.00 0.00 H new ATOM 928 N PRO A 59 10.578 0.866 30.838 1.00 0.00 N ATOM 929 CA PRO A 59 10.358 -0.588 30.857 1.00 0.00 C ATOM 930 C PRO A 59 11.480 -1.330 31.588 1.00 0.00 C ATOM 931 O PRO A 59 11.406 -2.530 31.777 1.00 0.00 O ATOM 932 CB PRO A 59 10.370 -1.009 29.371 1.00 0.00 C ATOM 933 CG PRO A 59 10.764 0.246 28.538 1.00 0.00 C ATOM 934 CD PRO A 59 10.779 1.445 29.499 1.00 0.00 C ATOM 0 HA PRO A 59 9.430 -0.829 31.376 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.081 -1.818 29.207 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.390 -1.379 29.068 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.743 0.110 28.078 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.051 0.410 27.730 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.724 1.985 29.441 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.990 2.156 29.254 1.00 0.00 H new ATOM 942 N TYR A 60 12.495 -0.603 31.990 1.00 0.00 N ATOM 943 CA TYR A 60 13.614 -1.232 32.697 1.00 0.00 C ATOM 944 C TYR A 60 13.488 -0.995 34.180 1.00 0.00 C ATOM 945 O TYR A 60 14.041 -1.721 34.985 1.00 0.00 O ATOM 946 CB TYR A 60 14.925 -0.596 32.199 1.00 0.00 C ATOM 947 CG TYR A 60 15.722 -1.630 31.400 1.00 0.00 C ATOM 948 CD1 TYR A 60 17.076 -1.789 31.615 1.00 0.00 C ATOM 949 CD2 TYR A 60 15.100 -2.417 30.451 1.00 0.00 C ATOM 950 CE1 TYR A 60 17.797 -2.719 30.895 1.00 0.00 C ATOM 951 CE2 TYR A 60 15.821 -3.349 29.731 1.00 0.00 C ATOM 952 CZ TYR A 60 17.175 -3.506 29.947 1.00 0.00 C ATOM 953 OH TYR A 60 17.898 -4.436 29.226 1.00 0.00 O ATOM 0 H TYR A 60 12.581 0.404 31.850 1.00 0.00 H new ATOM 0 HA TYR A 60 13.609 -2.305 32.506 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.707 0.272 31.576 1.00 0.00 H new ATOM 0 HB3 TYR A 60 15.514 -0.241 33.045 1.00 0.00 H new ATOM 0 HD1 TYR A 60 17.576 -1.180 32.354 1.00 0.00 H new ATOM 0 HD2 TYR A 60 14.041 -2.303 30.270 1.00 0.00 H new ATOM 0 HE1 TYR A 60 18.856 -2.832 31.074 1.00 0.00 H new ATOM 0 HE2 TYR A 60 15.322 -3.960 28.993 1.00 0.00 H new ATOM 0 HH TYR A 60 17.302 -4.902 28.603 1.00 0.00 H new ATOM 963 N ASP A 61 12.758 0.023 34.522 1.00 0.00 N ATOM 964 CA ASP A 61 12.576 0.334 35.942 1.00 0.00 C ATOM 965 C ASP A 61 11.284 1.105 36.158 1.00 0.00 C ATOM 966 O ASP A 61 11.260 2.318 36.087 1.00 0.00 O ATOM 967 CB ASP A 61 13.762 1.193 36.410 1.00 0.00 C ATOM 968 CG ASP A 61 13.865 1.128 37.936 1.00 0.00 C ATOM 969 OD1 ASP A 61 13.118 0.345 38.497 1.00 0.00 O ATOM 970 OD2 ASP A 61 14.686 1.866 38.454 1.00 0.00 O ATOM 0 H ASP A 61 12.283 0.649 33.872 1.00 0.00 H new ATOM 0 HA ASP A 61 12.526 -0.595 36.511 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.686 0.835 35.956 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.628 2.225 36.087 1.00 0.00 H new ATOM 975 N LEU A 62 10.227 0.388 36.419 1.00 0.00 N ATOM 976 CA LEU A 62 8.931 1.066 36.640 1.00 0.00 C ATOM 977 C LEU A 62 8.943 1.814 37.954 1.00 0.00 C ATOM 978 O LEU A 62 7.910 2.140 38.504 1.00 0.00 O ATOM 979 CB LEU A 62 7.824 0.005 36.670 1.00 0.00 C ATOM 980 CG LEU A 62 7.696 -0.614 35.279 1.00 0.00 C ATOM 981 CD1 LEU A 62 7.373 -2.102 35.420 1.00 0.00 C ATOM 982 CD2 LEU A 62 6.564 0.081 34.520 1.00 0.00 C ATOM 0 H LEU A 62 10.209 -0.630 36.487 1.00 0.00 H new ATOM 0 HA LEU A 62 8.754 1.780 35.835 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.059 -0.765 37.405 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.878 0.455 36.971 1.00 0.00 H new ATOM 0 HG LEU A 62 8.631 -0.491 34.733 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.280 -2.550 34.430 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.174 -2.598 35.969 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.434 -2.221 35.961 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.469 -0.358 33.527 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.628 -0.047 35.064 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.787 1.144 34.427 1.00 0.00 H new ATOM 994 N THR A 63 10.120 2.072 38.425 1.00 0.00 N ATOM 995 CA THR A 63 10.263 2.803 39.704 1.00 0.00 C ATOM 996 C THR A 63 10.570 4.266 39.435 1.00 0.00 C ATOM 997 O THR A 63 10.488 5.095 40.319 1.00 0.00 O ATOM 998 CB THR A 63 11.431 2.190 40.480 1.00 0.00 C ATOM 999 OG1 THR A 63 11.030 0.871 40.782 1.00 0.00 O ATOM 1000 CG2 THR A 63 11.597 2.868 41.849 1.00 0.00 C ATOM 0 H THR A 63 10.997 1.807 37.977 1.00 0.00 H new ATOM 0 HA THR A 63 9.337 2.730 40.274 1.00 0.00 H new ATOM 0 HB THR A 63 12.347 2.281 39.897 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.534 0.240 40.226 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.433 2.414 42.381 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.791 3.931 41.707 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.685 2.740 42.431 1.00 0.00 H new ATOM 1008 N ARG A 64 10.918 4.551 38.201 1.00 0.00 N ATOM 1009 CA ARG A 64 11.241 5.951 37.821 1.00 0.00 C ATOM 1010 C ARG A 64 10.628 6.303 36.468 1.00 0.00 C ATOM 1011 O ARG A 64 10.501 5.457 35.592 1.00 0.00 O ATOM 1012 CB ARG A 64 12.773 6.076 37.702 1.00 0.00 C ATOM 1013 CG ARG A 64 13.408 5.965 39.093 1.00 0.00 C ATOM 1014 CD ARG A 64 14.695 5.143 38.994 1.00 0.00 C ATOM 1015 NE ARG A 64 15.441 5.549 37.771 1.00 0.00 N ATOM 1016 CZ ARG A 64 16.442 4.818 37.356 1.00 0.00 C ATOM 1017 NH1 ARG A 64 16.734 3.722 38.004 1.00 0.00 N ATOM 1018 NH2 ARG A 64 17.117 5.208 36.310 1.00 0.00 N ATOM 0 H ARG A 64 10.990 3.869 37.446 1.00 0.00 H new ATOM 0 HA ARG A 64 10.840 6.625 38.578 1.00 0.00 H new ATOM 0 HB2 ARG A 64 13.162 5.294 37.050 1.00 0.00 H new ATOM 0 HB3 ARG A 64 13.036 7.031 37.246 1.00 0.00 H new ATOM 0 HG2 ARG A 64 13.626 6.958 39.487 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.713 5.492 39.787 1.00 0.00 H new ATOM 0 HD2 ARG A 64 15.311 5.301 39.879 1.00 0.00 H new ATOM 0 HD3 ARG A 64 14.460 4.079 38.955 1.00 0.00 H new ATOM 0 HE ARG A 64 15.173 6.391 37.261 1.00 0.00 H new ATOM 0 HH11 ARG A 64 16.184 3.450 38.819 1.00 0.00 H new ATOM 0 HH12 ARG A 64 17.512 3.139 37.695 1.00 0.00 H new ATOM 0 HH21 ARG A 64 16.861 6.071 35.830 1.00 0.00 H new ATOM 0 HH22 ARG A 64 17.901 4.650 35.972 1.00 0.00 H new ATOM 1032 N GLY A 65 10.256 7.545 36.324 1.00 0.00 N ATOM 1033 CA GLY A 65 9.646 7.991 35.039 1.00 0.00 C ATOM 1034 C GLY A 65 10.130 9.403 34.700 1.00 0.00 C ATOM 1035 O GLY A 65 11.152 9.840 35.191 1.00 0.00 O ATOM 0 H GLY A 65 10.347 8.268 37.037 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.916 7.302 34.239 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.559 7.978 35.118 1.00 0.00 H new ATOM 1039 N ARG A 66 9.398 10.088 33.864 1.00 0.00 N ATOM 1040 CA ARG A 66 9.828 11.470 33.503 1.00 0.00 C ATOM 1041 C ARG A 66 8.645 12.338 33.061 1.00 0.00 C ATOM 1042 O ARG A 66 7.725 11.869 32.423 1.00 0.00 O ATOM 1043 CB ARG A 66 10.854 11.392 32.351 1.00 0.00 C ATOM 1044 CG ARG A 66 10.458 10.284 31.370 1.00 0.00 C ATOM 1045 CD ARG A 66 11.636 10.009 30.429 1.00 0.00 C ATOM 1046 NE ARG A 66 12.824 9.617 31.241 1.00 0.00 N ATOM 1047 CZ ARG A 66 13.989 10.149 30.976 1.00 0.00 C ATOM 1048 NH1 ARG A 66 14.940 10.059 31.865 1.00 0.00 N ATOM 1049 NH2 ARG A 66 14.164 10.750 29.830 1.00 0.00 N ATOM 0 H ARG A 66 8.539 9.760 33.423 1.00 0.00 H new ATOM 0 HA ARG A 66 10.270 11.928 34.388 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.903 12.349 31.831 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.849 11.196 32.752 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.190 9.378 31.913 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.580 10.584 30.797 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.380 9.215 29.728 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.860 10.896 29.837 1.00 0.00 H new ATOM 0 HE ARG A 66 12.729 8.939 31.997 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.768 9.580 32.749 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.855 10.468 31.676 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.398 10.799 29.158 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.066 11.170 29.607 1.00 0.00 H new ATOM 1063 N ILE A 67 8.705 13.601 33.421 1.00 0.00 N ATOM 1064 CA ILE A 67 7.610 14.540 33.047 1.00 0.00 C ATOM 1065 C ILE A 67 7.921 15.261 31.739 1.00 0.00 C ATOM 1066 O ILE A 67 8.933 15.926 31.623 1.00 0.00 O ATOM 1067 CB ILE A 67 7.489 15.595 34.148 1.00 0.00 C ATOM 1068 CG1 ILE A 67 7.312 14.918 35.492 1.00 0.00 C ATOM 1069 CG2 ILE A 67 6.244 16.456 33.867 1.00 0.00 C ATOM 1070 CD1 ILE A 67 6.186 13.892 35.387 1.00 0.00 C ATOM 0 H ILE A 67 9.467 14.016 33.957 1.00 0.00 H new ATOM 0 HA ILE A 67 6.689 13.970 32.926 1.00 0.00 H new ATOM 0 HB ILE A 67 8.389 16.209 34.164 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.239 14.430 35.793 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.078 15.657 36.258 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.143 17.214 34.644 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.349 16.942 32.897 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.357 15.822 33.861 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.051 13.400 36.350 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.261 14.395 35.104 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.441 13.148 34.632 1.00 0.00 H new ATOM 1082 N THR A 68 7.045 15.109 30.782 1.00 0.00 N ATOM 1083 CA THR A 68 7.252 15.772 29.465 1.00 0.00 C ATOM 1084 C THR A 68 6.028 16.592 29.098 1.00 0.00 C ATOM 1085 O THR A 68 5.931 17.123 28.010 1.00 0.00 O ATOM 1086 CB THR A 68 7.459 14.695 28.404 1.00 0.00 C ATOM 1087 OG1 THR A 68 6.517 13.687 28.701 1.00 0.00 O ATOM 1088 CG2 THR A 68 8.822 14.015 28.576 1.00 0.00 C ATOM 0 H THR A 68 6.193 14.553 30.857 1.00 0.00 H new ATOM 0 HA THR A 68 8.121 16.428 29.521 1.00 0.00 H new ATOM 0 HB THR A 68 7.375 15.136 27.411 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.612 14.060 28.651 1.00 0.00 H new ATOM 0 HG21 THR A 68 8.947 13.251 27.809 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.614 14.758 28.481 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.876 13.552 29.561 1.00 0.00 H new ATOM 1096 N TRP A 69 5.109 16.677 30.019 1.00 0.00 N ATOM 1097 CA TRP A 69 3.883 17.449 29.759 1.00 0.00 C ATOM 1098 C TRP A 69 3.229 17.859 31.070 1.00 0.00 C ATOM 1099 O TRP A 69 3.456 17.250 32.097 1.00 0.00 O ATOM 1100 CB TRP A 69 2.912 16.543 28.979 1.00 0.00 C ATOM 1101 CG TRP A 69 3.468 15.105 28.959 1.00 0.00 C ATOM 1102 CD1 TRP A 69 4.027 14.507 30.007 1.00 0.00 C ATOM 1103 CD2 TRP A 69 3.488 14.320 27.903 1.00 0.00 C ATOM 1104 NE1 TRP A 69 4.397 13.309 29.536 1.00 0.00 N ATOM 1105 CE2 TRP A 69 4.090 13.106 28.200 1.00 0.00 C ATOM 1106 CE3 TRP A 69 3.005 14.549 26.623 1.00 0.00 C ATOM 1107 CZ2 TRP A 69 4.209 12.136 27.226 1.00 0.00 C ATOM 1108 CZ3 TRP A 69 3.129 13.575 25.653 1.00 0.00 C ATOM 1109 CH2 TRP A 69 3.728 12.371 25.954 1.00 0.00 C ATOM 0 H TRP A 69 5.163 16.241 30.940 1.00 0.00 H new ATOM 0 HA TRP A 69 4.125 18.348 29.192 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.927 16.559 29.445 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.789 16.913 27.961 1.00 0.00 H new ATOM 0 HD1 TRP A 69 4.153 14.897 31.006 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.864 12.607 30.111 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.532 15.490 26.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 4.679 11.192 27.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 2.756 13.757 24.656 1.00 0.00 H new ATOM 0 HH2 TRP A 69 3.821 11.610 25.193 1.00 0.00 H new ATOM 1120 N ARG A 70 2.431 18.884 31.017 1.00 0.00 N ATOM 1121 CA ARG A 70 1.767 19.334 32.235 1.00 0.00 C ATOM 1122 C ARG A 70 0.468 20.065 31.913 1.00 0.00 C ATOM 1123 O ARG A 70 0.451 21.270 31.750 1.00 0.00 O ATOM 1124 CB ARG A 70 2.712 20.281 32.994 1.00 0.00 C ATOM 1125 CG ARG A 70 3.656 20.962 32.006 1.00 0.00 C ATOM 1126 CD ARG A 70 4.682 21.773 32.790 1.00 0.00 C ATOM 1127 NE ARG A 70 5.219 20.931 33.897 1.00 0.00 N ATOM 1128 CZ ARG A 70 5.969 21.478 34.812 1.00 0.00 C ATOM 1129 NH1 ARG A 70 6.333 22.723 34.671 1.00 0.00 N ATOM 1130 NH2 ARG A 70 6.335 20.759 35.838 1.00 0.00 N ATOM 0 H ARG A 70 2.219 19.421 30.176 1.00 0.00 H new ATOM 0 HA ARG A 70 1.526 18.464 32.846 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.135 21.030 33.536 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.285 19.723 33.734 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.156 20.217 31.387 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.095 21.611 31.334 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.491 22.093 32.133 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.222 22.676 33.192 1.00 0.00 H new ATOM 0 HE ARG A 70 5.001 19.935 33.938 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.031 23.253 33.854 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.920 23.166 35.378 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.034 19.787 35.913 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.922 21.169 36.565 1.00 0.00 H new ATOM 1144 N LYS A 71 -0.599 19.312 31.824 1.00 0.00 N ATOM 1145 CA LYS A 71 -1.908 19.927 31.516 1.00 0.00 C ATOM 1146 C LYS A 71 -3.049 19.046 32.020 1.00 0.00 C ATOM 1147 O LYS A 71 -3.067 17.855 31.785 1.00 0.00 O ATOM 1148 CB LYS A 71 -2.030 20.068 29.991 1.00 0.00 C ATOM 1149 CG LYS A 71 -3.227 20.964 29.661 1.00 0.00 C ATOM 1150 CD LYS A 71 -2.792 22.429 29.727 1.00 0.00 C ATOM 1151 CE LYS A 71 -2.573 22.954 28.305 1.00 0.00 C ATOM 1152 NZ LYS A 71 -3.862 23.414 27.714 1.00 0.00 N ATOM 0 H LYS A 71 -0.612 18.300 31.952 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.971 20.899 32.006 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.116 20.496 29.579 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.157 19.087 29.532 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.609 20.730 28.667 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.039 20.781 30.365 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.552 23.024 30.234 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.874 22.522 30.307 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.859 23.778 28.321 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.141 22.169 27.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.696 23.767 26.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.532 22.619 27.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.259 24.177 28.298 1.00 0.00 H new ATOM 1166 N LYS A 72 -3.980 19.649 32.708 1.00 0.00 N ATOM 1167 CA LYS A 72 -5.124 18.862 33.233 1.00 0.00 C ATOM 1168 C LYS A 72 -6.161 18.619 32.144 1.00 0.00 C ATOM 1169 O LYS A 72 -7.049 17.825 32.408 1.00 0.00 O ATOM 1170 CB LYS A 72 -5.778 19.662 34.370 1.00 0.00 C ATOM 1171 CG LYS A 72 -6.113 18.716 35.525 1.00 0.00 C ATOM 1172 CD LYS A 72 -6.835 19.502 36.623 1.00 0.00 C ATOM 1173 CE LYS A 72 -6.917 18.642 37.886 1.00 0.00 C ATOM 1174 NZ LYS A 72 -6.903 19.501 39.105 1.00 0.00 N ATOM 0 H LYS A 72 -3.996 20.645 32.926 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.761 17.898 33.588 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.104 20.448 34.712 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.683 20.152 34.012 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.742 17.899 35.172 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.201 18.268 35.921 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.302 20.429 36.834 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.836 19.778 36.291 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.827 18.043 37.867 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.078 17.946 37.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.959 18.901 39.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.023 20.054 39.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.717 20.147 39.084 1.00 0.00 H new TER 1188 LYS A 72