USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 578 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 46 ASN : amide:sc= -0.738! C(o=-0.43!,f=-7.6!) USER MOD Set 1.2: A 47 SER OG : rot -42:sc= 0.312 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0677) USER MOD Single : A 16 TYR OH : rot 159:sc= -1.8 USER MOD Single : A 19 GLN : amide:sc= -0.951 K(o=-0.95,f=-0.38) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -1.44 K(o=-1.4,f=-0.11) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -2.66! C(o=-2.7!,f=-2.3!) USER MOD Single : A 50 LYS NZ :NH3+ 158:sc= 0.375 (180deg=0.192) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot -8:sc= 0.561 USER MOD Single : A 70 ASN : amide:sc= -1.01 K(o=-1,f=-4.8!) USER MOD Single : A 71 SER OG : rot 36:sc= 0.779 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.310 -10.854 9.542 1.00 3.13 N ATOM 2 CA GLY A 1 19.261 -11.856 9.497 1.00 74.33 C ATOM 3 C GLY A 1 18.019 -11.361 8.783 1.00 25.24 C ATOM 4 O GLY A 1 17.496 -10.293 9.098 1.00 21.31 O ATOM 0 H1 GLY A 1 21.138 -11.240 10.040 1.00 3.13 H new ATOM 0 H2 GLY A 1 20.581 -10.591 8.573 1.00 3.13 H new ATOM 0 H3 GLY A 1 19.965 -10.012 10.046 1.00 3.13 H new ATOM 0 HA2 GLY A 1 19.635 -12.747 8.994 1.00 74.33 H new ATOM 0 HA3 GLY A 1 18.999 -12.150 10.513 1.00 74.33 H new ATOM 8 N SER A 2 17.545 -12.141 7.815 1.00 64.13 N ATOM 9 CA SER A 2 16.360 -11.773 7.049 1.00 22.42 C ATOM 10 C SER A 2 15.203 -12.722 7.351 1.00 44.33 C ATOM 11 O SER A 2 14.979 -13.696 6.631 1.00 15.41 O ATOM 12 CB SER A 2 16.669 -11.789 5.551 1.00 2.32 C ATOM 13 OG SER A 2 17.362 -10.616 5.161 1.00 42.33 O ATOM 0 H SER A 2 17.964 -13.031 7.543 1.00 64.13 H new ATOM 0 HA SER A 2 16.067 -10.765 7.341 1.00 22.42 H new ATOM 0 HB2 SER A 2 17.269 -12.667 5.309 1.00 2.32 H new ATOM 0 HB3 SER A 2 15.741 -11.872 4.986 1.00 2.32 H new ATOM 0 HG SER A 2 17.549 -10.651 4.200 1.00 42.33 H new ATOM 19 N THR A 3 14.470 -12.429 8.421 1.00 2.13 N ATOM 20 CA THR A 3 13.338 -13.255 8.820 1.00 22.43 C ATOM 21 C THR A 3 12.265 -13.278 7.736 1.00 30.15 C ATOM 22 O THR A 3 11.992 -12.262 7.098 1.00 11.40 O ATOM 23 CB THR A 3 12.712 -12.753 10.135 1.00 3.03 C ATOM 24 OG1 THR A 3 13.710 -12.687 11.159 1.00 4.52 O ATOM 25 CG2 THR A 3 11.581 -13.668 10.580 1.00 71.24 C ATOM 0 H THR A 3 14.640 -11.626 9.026 1.00 2.13 H new ATOM 0 HA THR A 3 13.721 -14.264 8.970 1.00 22.43 H new ATOM 0 HB THR A 3 12.305 -11.757 9.961 1.00 3.03 H new ATOM 0 HG1 THR A 3 13.304 -12.365 11.991 1.00 4.52 H new ATOM 0 HG21 THR A 3 11.155 -13.293 11.511 1.00 71.24 H new ATOM 0 HG22 THR A 3 10.809 -13.693 9.811 1.00 71.24 H new ATOM 0 HG23 THR A 3 11.968 -14.675 10.738 1.00 71.24 H new ATOM 33 N MET A 4 11.659 -14.444 7.535 1.00 2.01 N ATOM 34 CA MET A 4 10.615 -14.597 6.529 1.00 23.33 C ATOM 35 C MET A 4 9.740 -13.350 6.458 1.00 1.32 C ATOM 36 O MET A 4 9.605 -12.619 7.439 1.00 41.53 O ATOM 37 CB MET A 4 9.753 -15.822 6.842 1.00 25.42 C ATOM 38 CG MET A 4 10.098 -17.039 6.000 1.00 25.35 C ATOM 39 SD MET A 4 9.232 -18.527 6.541 1.00 52.13 S ATOM 40 CE MET A 4 10.500 -19.316 7.529 1.00 40.11 C ATOM 0 H MET A 4 11.873 -15.295 8.055 1.00 2.01 H new ATOM 0 HA MET A 4 11.096 -14.736 5.561 1.00 23.33 H new ATOM 0 HB2 MET A 4 9.866 -16.076 7.896 1.00 25.42 H new ATOM 0 HB3 MET A 4 8.705 -15.568 6.686 1.00 25.42 H new ATOM 0 HG2 MET A 4 9.850 -16.837 4.958 1.00 25.35 H new ATOM 0 HG3 MET A 4 11.173 -17.213 6.043 1.00 25.35 H new ATOM 0 HE1 MET A 4 10.116 -20.252 7.934 1.00 40.11 H new ATOM 0 HE2 MET A 4 11.371 -19.521 6.907 1.00 40.11 H new ATOM 0 HE3 MET A 4 10.786 -18.656 8.348 1.00 40.11 H new ATOM 50 N ALA A 5 9.149 -13.113 5.292 1.00 75.22 N ATOM 51 CA ALA A 5 8.286 -11.954 5.095 1.00 2.13 C ATOM 52 C ALA A 5 6.970 -12.115 5.850 1.00 44.44 C ATOM 53 O ALA A 5 6.688 -11.369 6.787 1.00 21.42 O ATOM 54 CB ALA A 5 8.023 -11.739 3.612 1.00 41.11 C ATOM 0 H ALA A 5 9.252 -13.707 4.470 1.00 75.22 H new ATOM 0 HA ALA A 5 8.798 -11.078 5.493 1.00 2.13 H new ATOM 0 HB1 ALA A 5 7.378 -10.871 3.479 1.00 41.11 H new ATOM 0 HB2 ALA A 5 8.968 -11.571 3.095 1.00 41.11 H new ATOM 0 HB3 ALA A 5 7.535 -12.621 3.197 1.00 41.11 H new ATOM 60 N GLU A 6 6.170 -13.091 5.433 1.00 73.41 N ATOM 61 CA GLU A 6 4.883 -13.347 6.070 1.00 44.21 C ATOM 62 C GLU A 6 4.220 -12.042 6.499 1.00 63.34 C ATOM 63 O GLU A 6 3.798 -11.896 7.646 1.00 62.15 O ATOM 64 CB GLU A 6 5.062 -14.263 7.282 1.00 13.34 C ATOM 65 CG GLU A 6 3.758 -14.834 7.812 1.00 20.13 C ATOM 66 CD GLU A 6 3.969 -16.040 8.707 1.00 42.12 C ATOM 67 OE1 GLU A 6 3.478 -16.019 9.855 1.00 53.41 O ATOM 68 OE2 GLU A 6 4.626 -17.003 8.260 1.00 32.23 O ATOM 0 H GLU A 6 6.390 -13.717 4.658 1.00 73.41 H new ATOM 0 HA GLU A 6 4.238 -13.841 5.343 1.00 44.21 H new ATOM 0 HB2 GLU A 6 5.725 -15.085 7.011 1.00 13.34 H new ATOM 0 HB3 GLU A 6 5.555 -13.705 8.078 1.00 13.34 H new ATOM 0 HG2 GLU A 6 3.227 -14.062 8.369 1.00 20.13 H new ATOM 0 HG3 GLU A 6 3.122 -15.116 6.973 1.00 20.13 H new ATOM 76 N GLU A 7 4.131 -11.096 5.569 1.00 41.41 N ATOM 77 CA GLU A 7 3.520 -9.801 5.852 1.00 5.43 C ATOM 78 C GLU A 7 2.540 -9.412 4.750 1.00 62.13 C ATOM 79 O GLU A 7 2.190 -10.228 3.897 1.00 45.44 O ATOM 80 CB GLU A 7 4.598 -8.724 5.995 1.00 11.15 C ATOM 81 CG GLU A 7 4.512 -7.948 7.298 1.00 72.23 C ATOM 82 CD GLU A 7 5.574 -6.872 7.407 1.00 43.30 C ATOM 83 OE1 GLU A 7 5.213 -5.677 7.388 1.00 33.30 O ATOM 84 OE2 GLU A 7 6.769 -7.224 7.510 1.00 61.42 O ATOM 0 H GLU A 7 4.474 -11.201 4.614 1.00 41.41 H new ATOM 0 HA GLU A 7 2.972 -9.883 6.791 1.00 5.43 H new ATOM 0 HB2 GLU A 7 5.580 -9.193 5.925 1.00 11.15 H new ATOM 0 HB3 GLU A 7 4.517 -8.027 5.161 1.00 11.15 H new ATOM 0 HG2 GLU A 7 3.526 -7.490 7.379 1.00 72.23 H new ATOM 0 HG3 GLU A 7 4.613 -8.639 8.135 1.00 72.23 H new ATOM 92 N VAL A 8 2.098 -8.158 4.776 1.00 1.03 N ATOM 93 CA VAL A 8 1.157 -7.659 3.781 1.00 63.33 C ATOM 94 C VAL A 8 1.739 -6.470 3.024 1.00 62.42 C ATOM 95 O VAL A 8 1.950 -5.400 3.595 1.00 43.05 O ATOM 96 CB VAL A 8 -0.176 -7.239 4.428 1.00 11.11 C ATOM 97 CG1 VAL A 8 -1.218 -6.941 3.361 1.00 31.11 C ATOM 98 CG2 VAL A 8 -0.668 -8.318 5.380 1.00 23.43 C ATOM 0 H VAL A 8 2.377 -7.470 5.475 1.00 1.03 H new ATOM 0 HA VAL A 8 0.971 -8.476 3.084 1.00 63.33 H new ATOM 0 HB VAL A 8 -0.010 -6.328 5.002 1.00 11.11 H new ATOM 0 HG11 VAL A 8 -2.153 -6.646 3.838 1.00 31.11 H new ATOM 0 HG12 VAL A 8 -0.864 -6.131 2.723 1.00 31.11 H new ATOM 0 HG13 VAL A 8 -1.385 -7.832 2.756 1.00 31.11 H new ATOM 0 HG21 VAL A 8 -1.611 -8.005 5.829 1.00 23.43 H new ATOM 0 HG22 VAL A 8 -0.818 -9.247 4.830 1.00 23.43 H new ATOM 0 HG23 VAL A 8 0.072 -8.476 6.164 1.00 23.43 H new ATOM 108 N VAL A 9 1.994 -6.663 1.734 1.00 21.33 N ATOM 109 CA VAL A 9 2.549 -5.607 0.897 1.00 42.41 C ATOM 110 C VAL A 9 1.690 -5.377 -0.341 1.00 33.13 C ATOM 111 O VAL A 9 1.191 -6.324 -0.949 1.00 51.33 O ATOM 112 CB VAL A 9 3.987 -5.938 0.455 1.00 44.34 C ATOM 113 CG1 VAL A 9 4.139 -7.431 0.206 1.00 11.41 C ATOM 114 CG2 VAL A 9 4.359 -5.142 -0.787 1.00 51.13 C ATOM 0 H VAL A 9 1.825 -7.542 1.246 1.00 21.33 H new ATOM 0 HA VAL A 9 2.561 -4.700 1.501 1.00 42.41 H new ATOM 0 HB VAL A 9 4.669 -5.656 1.257 1.00 44.34 H new ATOM 0 HG11 VAL A 9 5.161 -7.646 -0.105 1.00 11.41 H new ATOM 0 HG12 VAL A 9 3.917 -7.977 1.123 1.00 11.41 H new ATOM 0 HG13 VAL A 9 3.448 -7.741 -0.578 1.00 11.41 H new ATOM 0 HG21 VAL A 9 5.378 -5.388 -1.085 1.00 51.13 H new ATOM 0 HG22 VAL A 9 3.674 -5.391 -1.597 1.00 51.13 H new ATOM 0 HG23 VAL A 9 4.292 -4.076 -0.570 1.00 51.13 H new ATOM 124 N VAL A 10 1.520 -4.111 -0.709 1.00 63.42 N ATOM 125 CA VAL A 10 0.721 -3.755 -1.877 1.00 21.44 C ATOM 126 C VAL A 10 1.509 -2.865 -2.831 1.00 24.32 C ATOM 127 O VAL A 10 2.256 -1.986 -2.402 1.00 63.21 O ATOM 128 CB VAL A 10 -0.576 -3.032 -1.470 1.00 73.54 C ATOM 129 CG1 VAL A 10 -1.291 -3.797 -0.367 1.00 13.05 C ATOM 130 CG2 VAL A 10 -0.277 -1.606 -1.033 1.00 14.31 C ATOM 0 H VAL A 10 1.924 -3.315 -0.216 1.00 63.42 H new ATOM 0 HA VAL A 10 0.465 -4.687 -2.382 1.00 21.44 H new ATOM 0 HB VAL A 10 -1.235 -2.991 -2.337 1.00 73.54 H new ATOM 0 HG11 VAL A 10 -2.205 -3.271 -0.093 1.00 13.05 H new ATOM 0 HG12 VAL A 10 -1.541 -4.797 -0.721 1.00 13.05 H new ATOM 0 HG13 VAL A 10 -0.640 -3.872 0.504 1.00 13.05 H new ATOM 0 HG21 VAL A 10 -1.205 -1.110 -0.749 1.00 14.31 H new ATOM 0 HG22 VAL A 10 0.402 -1.622 -0.180 1.00 14.31 H new ATOM 0 HG23 VAL A 10 0.187 -1.063 -1.856 1.00 14.31 H new ATOM 140 N VAL A 11 1.335 -3.099 -4.128 1.00 73.35 N ATOM 141 CA VAL A 11 2.028 -2.316 -5.145 1.00 41.40 C ATOM 142 C VAL A 11 1.102 -1.276 -5.765 1.00 52.00 C ATOM 143 O VAL A 11 -0.102 -1.497 -5.890 1.00 3.55 O ATOM 144 CB VAL A 11 2.590 -3.218 -6.261 1.00 22.33 C ATOM 145 CG1 VAL A 11 1.466 -3.985 -6.942 1.00 22.00 C ATOM 146 CG2 VAL A 11 3.370 -2.391 -7.272 1.00 54.12 C ATOM 0 H VAL A 11 0.721 -3.824 -4.499 1.00 73.35 H new ATOM 0 HA VAL A 11 2.854 -1.810 -4.646 1.00 41.40 H new ATOM 0 HB VAL A 11 3.273 -3.940 -5.813 1.00 22.33 H new ATOM 0 HG11 VAL A 11 1.881 -4.617 -7.727 1.00 22.00 H new ATOM 0 HG12 VAL A 11 0.953 -4.607 -6.208 1.00 22.00 H new ATOM 0 HG13 VAL A 11 0.758 -3.281 -7.379 1.00 22.00 H new ATOM 0 HG21 VAL A 11 3.760 -3.044 -8.053 1.00 54.12 H new ATOM 0 HG22 VAL A 11 2.712 -1.645 -7.718 1.00 54.12 H new ATOM 0 HG23 VAL A 11 4.198 -1.890 -6.771 1.00 54.12 H new ATOM 156 N ALA A 12 1.672 -0.139 -6.151 1.00 2.43 N ATOM 157 CA ALA A 12 0.899 0.936 -6.760 1.00 12.13 C ATOM 158 C ALA A 12 0.791 0.747 -8.269 1.00 3.14 C ATOM 159 O ALA A 12 1.758 0.365 -8.929 1.00 12.22 O ATOM 160 CB ALA A 12 1.525 2.284 -6.438 1.00 21.52 C ATOM 0 H ALA A 12 2.667 0.061 -6.052 1.00 2.43 H new ATOM 0 HA ALA A 12 -0.108 0.907 -6.344 1.00 12.13 H new ATOM 0 HB1 ALA A 12 0.937 3.078 -6.899 1.00 21.52 H new ATOM 0 HB2 ALA A 12 1.544 2.428 -5.358 1.00 21.52 H new ATOM 0 HB3 ALA A 12 2.543 2.314 -6.826 1.00 21.52 H new ATOM 166 N LYS A 13 -0.392 1.016 -8.811 1.00 3.32 N ATOM 167 CA LYS A 13 -0.627 0.877 -10.243 1.00 22.55 C ATOM 168 C LYS A 13 -0.642 2.240 -10.927 1.00 11.22 C ATOM 169 O LYS A 13 -0.287 2.361 -12.100 1.00 72.23 O ATOM 170 CB LYS A 13 -1.953 0.154 -10.495 1.00 23.12 C ATOM 171 CG LYS A 13 -2.441 -0.653 -9.305 1.00 31.20 C ATOM 172 CD LYS A 13 -3.836 -1.207 -9.541 1.00 60.51 C ATOM 173 CE LYS A 13 -3.843 -2.240 -10.658 1.00 10.22 C ATOM 174 NZ LYS A 13 -3.174 -3.506 -10.247 1.00 72.04 N ATOM 0 H LYS A 13 -1.203 1.332 -8.280 1.00 3.32 H new ATOM 0 HA LYS A 13 0.188 0.288 -10.664 1.00 22.55 H new ATOM 0 HB2 LYS A 13 -2.713 0.889 -10.761 1.00 23.12 H new ATOM 0 HB3 LYS A 13 -1.838 -0.510 -11.351 1.00 23.12 H new ATOM 0 HG2 LYS A 13 -1.750 -1.474 -9.113 1.00 31.20 H new ATOM 0 HG3 LYS A 13 -2.444 -0.024 -8.415 1.00 31.20 H new ATOM 0 HD2 LYS A 13 -4.209 -1.660 -8.622 1.00 60.51 H new ATOM 0 HD3 LYS A 13 -4.515 -0.392 -9.793 1.00 60.51 H new ATOM 0 HE2 LYS A 13 -4.871 -2.451 -10.951 1.00 10.22 H new ATOM 0 HE3 LYS A 13 -3.340 -1.831 -11.534 1.00 10.22 H new ATOM 0 HZ1 LYS A 13 -3.317 -4.228 -10.981 1.00 72.04 H new ATOM 0 HZ2 LYS A 13 -2.156 -3.336 -10.122 1.00 72.04 H new ATOM 0 HZ3 LYS A 13 -3.582 -3.839 -9.350 1.00 72.04 H new ATOM 188 N PHE A 14 -1.052 3.264 -10.187 1.00 71.15 N ATOM 189 CA PHE A 14 -1.112 4.619 -10.722 1.00 61.23 C ATOM 190 C PHE A 14 -0.443 5.610 -9.773 1.00 20.22 C ATOM 191 O PHE A 14 -0.180 5.292 -8.613 1.00 51.10 O ATOM 192 CB PHE A 14 -2.566 5.031 -10.966 1.00 13.12 C ATOM 193 CG PHE A 14 -3.297 4.119 -11.908 1.00 32.42 C ATOM 194 CD1 PHE A 14 -3.926 2.977 -11.439 1.00 10.42 C ATOM 195 CD2 PHE A 14 -3.357 4.403 -13.262 1.00 71.04 C ATOM 196 CE1 PHE A 14 -4.599 2.135 -12.304 1.00 61.13 C ATOM 197 CE2 PHE A 14 -4.029 3.566 -14.133 1.00 42.52 C ATOM 198 CZ PHE A 14 -4.652 2.431 -13.653 1.00 0.03 C ATOM 0 H PHE A 14 -1.348 3.181 -9.214 1.00 71.15 H new ATOM 0 HA PHE A 14 -0.574 4.632 -11.670 1.00 61.23 H new ATOM 0 HB2 PHE A 14 -3.094 5.054 -10.012 1.00 13.12 H new ATOM 0 HB3 PHE A 14 -2.586 6.045 -11.366 1.00 13.12 H new ATOM 0 HD1 PHE A 14 -3.890 2.742 -10.385 1.00 10.42 H new ATOM 0 HD2 PHE A 14 -2.872 5.290 -13.642 1.00 71.04 H new ATOM 0 HE1 PHE A 14 -5.083 1.247 -11.926 1.00 61.13 H new ATOM 0 HE2 PHE A 14 -4.067 3.799 -15.187 1.00 42.52 H new ATOM 0 HZ PHE A 14 -5.180 1.776 -14.330 1.00 0.03 H new ATOM 208 N ASP A 15 -0.171 6.809 -10.275 1.00 35.33 N ATOM 209 CA ASP A 15 0.467 7.847 -9.472 1.00 23.54 C ATOM 210 C ASP A 15 -0.568 8.617 -8.658 1.00 31.44 C ATOM 211 O ASP A 15 -1.642 8.951 -9.158 1.00 74.33 O ATOM 212 CB ASP A 15 1.246 8.809 -10.370 1.00 23.34 C ATOM 213 CG ASP A 15 0.349 9.835 -11.034 1.00 52.33 C ATOM 214 OD1 ASP A 15 0.134 9.731 -12.260 1.00 22.21 O ATOM 215 OD2 ASP A 15 -0.138 10.742 -10.328 1.00 61.12 O ATOM 0 H ASP A 15 -0.382 7.087 -11.233 1.00 35.33 H new ATOM 0 HA ASP A 15 1.160 7.364 -8.782 1.00 23.54 H new ATOM 0 HB2 ASP A 15 2.003 9.322 -9.777 1.00 23.34 H new ATOM 0 HB3 ASP A 15 1.772 8.240 -11.137 1.00 23.34 H new ATOM 221 N TYR A 16 -0.238 8.892 -7.401 1.00 31.24 N ATOM 222 CA TYR A 16 -1.141 9.620 -6.516 1.00 4.13 C ATOM 223 C TYR A 16 -0.373 10.622 -5.660 1.00 53.03 C ATOM 224 O TYR A 16 0.789 10.403 -5.316 1.00 64.31 O ATOM 225 CB TYR A 16 -1.903 8.644 -5.617 1.00 22.31 C ATOM 226 CG TYR A 16 -2.409 9.269 -4.337 1.00 42.12 C ATOM 227 CD1 TYR A 16 -3.627 9.936 -4.299 1.00 63.51 C ATOM 228 CD2 TYR A 16 -1.669 9.192 -3.164 1.00 12.40 C ATOM 229 CE1 TYR A 16 -4.092 10.510 -3.132 1.00 70.11 C ATOM 230 CE2 TYR A 16 -2.127 9.761 -1.991 1.00 61.04 C ATOM 231 CZ TYR A 16 -3.339 10.419 -1.981 1.00 53.31 C ATOM 232 OH TYR A 16 -3.800 10.988 -0.816 1.00 54.41 O ATOM 0 H TYR A 16 0.647 8.622 -6.972 1.00 31.24 H new ATOM 0 HA TYR A 16 -1.853 10.167 -7.134 1.00 4.13 H new ATOM 0 HB2 TYR A 16 -2.748 8.237 -6.172 1.00 22.31 H new ATOM 0 HB3 TYR A 16 -1.251 7.806 -5.369 1.00 22.31 H new ATOM 0 HD1 TYR A 16 -4.221 10.007 -5.198 1.00 63.51 H new ATOM 0 HD2 TYR A 16 -0.719 8.678 -3.169 1.00 12.40 H new ATOM 0 HE1 TYR A 16 -5.040 11.027 -3.121 1.00 70.11 H new ATOM 0 HE2 TYR A 16 -1.539 9.691 -1.088 1.00 61.04 H new ATOM 0 HH TYR A 16 -3.355 10.570 -0.049 1.00 54.41 H new ATOM 242 N VAL A 17 -1.032 11.726 -5.319 1.00 3.14 N ATOM 243 CA VAL A 17 -0.414 12.763 -4.501 1.00 24.41 C ATOM 244 C VAL A 17 -1.085 12.859 -3.136 1.00 45.41 C ATOM 245 O VAL A 17 -2.225 13.306 -3.023 1.00 72.32 O ATOM 246 CB VAL A 17 -0.484 14.137 -5.193 1.00 62.42 C ATOM 247 CG1 VAL A 17 -0.042 15.238 -4.241 1.00 53.42 C ATOM 248 CG2 VAL A 17 0.364 14.142 -6.456 1.00 11.11 C ATOM 0 H VAL A 17 -1.993 11.925 -5.597 1.00 3.14 H new ATOM 0 HA VAL A 17 0.631 12.483 -4.369 1.00 24.41 H new ATOM 0 HB VAL A 17 -1.519 14.328 -5.477 1.00 62.42 H new ATOM 0 HG11 VAL A 17 -0.098 16.201 -4.748 1.00 53.42 H new ATOM 0 HG12 VAL A 17 -0.695 15.248 -3.368 1.00 53.42 H new ATOM 0 HG13 VAL A 17 0.984 15.054 -3.924 1.00 53.42 H new ATOM 0 HG21 VAL A 17 0.302 15.121 -6.932 1.00 11.11 H new ATOM 0 HG22 VAL A 17 1.401 13.928 -6.199 1.00 11.11 H new ATOM 0 HG23 VAL A 17 -0.003 13.381 -7.144 1.00 11.11 H new ATOM 258 N ALA A 18 -0.368 12.436 -2.100 1.00 11.34 N ATOM 259 CA ALA A 18 -0.892 12.477 -0.741 1.00 2.32 C ATOM 260 C ALA A 18 -1.446 13.858 -0.407 1.00 24.23 C ATOM 261 O ALA A 18 -0.743 14.700 0.150 1.00 34.21 O ATOM 262 CB ALA A 18 0.191 12.086 0.254 1.00 73.23 C ATOM 0 H ALA A 18 0.577 12.061 -2.176 1.00 11.34 H new ATOM 0 HA ALA A 18 -1.710 11.760 -0.672 1.00 2.32 H new ATOM 0 HB1 ALA A 18 -0.214 12.121 1.265 1.00 73.23 H new ATOM 0 HB2 ALA A 18 0.537 11.076 0.037 1.00 73.23 H new ATOM 0 HB3 ALA A 18 1.027 12.781 0.174 1.00 73.23 H new ATOM 268 N GLN A 19 -2.710 14.081 -0.752 1.00 61.04 N ATOM 269 CA GLN A 19 -3.358 15.362 -0.490 1.00 43.51 C ATOM 270 C GLN A 19 -3.052 15.847 0.923 1.00 63.13 C ATOM 271 O GLN A 19 -2.442 16.900 1.109 1.00 43.43 O ATOM 272 CB GLN A 19 -4.870 15.241 -0.685 1.00 52.02 C ATOM 273 CG GLN A 19 -5.358 15.786 -2.018 1.00 54.21 C ATOM 274 CD GLN A 19 -5.110 17.274 -2.166 1.00 71.01 C ATOM 275 OE1 GLN A 19 -5.941 18.095 -1.777 1.00 52.11 O ATOM 276 NE2 GLN A 19 -3.962 17.630 -2.730 1.00 42.10 N ATOM 0 H GLN A 19 -3.305 13.393 -1.213 1.00 61.04 H new ATOM 0 HA GLN A 19 -2.965 16.092 -1.198 1.00 43.51 H new ATOM 0 HB2 GLN A 19 -5.155 14.192 -0.605 1.00 52.02 H new ATOM 0 HB3 GLN A 19 -5.375 15.772 0.122 1.00 52.02 H new ATOM 0 HG2 GLN A 19 -4.857 15.256 -2.828 1.00 54.21 H new ATOM 0 HG3 GLN A 19 -6.425 15.588 -2.119 1.00 54.21 H new ATOM 0 HE21 GLN A 19 -3.302 16.916 -3.038 1.00 42.10 H new ATOM 0 HE22 GLN A 19 -3.740 18.618 -2.855 1.00 42.10 H new ATOM 285 N GLN A 20 -3.480 15.073 1.915 1.00 24.01 N ATOM 286 CA GLN A 20 -3.252 15.426 3.311 1.00 32.05 C ATOM 287 C GLN A 20 -1.808 15.147 3.714 1.00 51.41 C ATOM 288 O GLN A 20 -1.174 14.231 3.192 1.00 53.54 O ATOM 289 CB GLN A 20 -4.206 14.647 4.218 1.00 12.21 C ATOM 290 CG GLN A 20 -5.058 15.535 5.110 1.00 32.21 C ATOM 291 CD GLN A 20 -6.119 14.757 5.865 1.00 43.43 C ATOM 292 OE1 GLN A 20 -5.986 14.505 7.062 1.00 13.54 O ATOM 293 NE2 GLN A 20 -7.181 14.373 5.167 1.00 51.11 N ATOM 0 H GLN A 20 -3.986 14.198 1.778 1.00 24.01 H new ATOM 0 HA GLN A 20 -3.443 16.493 3.426 1.00 32.05 H new ATOM 0 HB2 GLN A 20 -4.860 14.032 3.600 1.00 12.21 H new ATOM 0 HB3 GLN A 20 -3.626 13.968 4.843 1.00 12.21 H new ATOM 0 HG2 GLN A 20 -4.415 16.051 5.823 1.00 32.21 H new ATOM 0 HG3 GLN A 20 -5.539 16.301 4.501 1.00 32.21 H new ATOM 0 HE21 GLN A 20 -7.250 14.604 4.176 1.00 51.11 H new ATOM 0 HE22 GLN A 20 -7.927 13.847 5.622 1.00 51.11 H new ATOM 302 N GLU A 21 -1.294 15.945 4.646 1.00 32.11 N ATOM 303 CA GLU A 21 0.076 15.784 5.118 1.00 45.31 C ATOM 304 C GLU A 21 0.268 14.424 5.780 1.00 0.33 C ATOM 305 O GLU A 21 1.382 13.905 5.844 1.00 14.15 O ATOM 306 CB GLU A 21 0.435 16.899 6.102 1.00 33.44 C ATOM 307 CG GLU A 21 -0.415 16.893 7.363 1.00 41.43 C ATOM 308 CD GLU A 21 0.305 16.282 8.549 1.00 42.45 C ATOM 309 OE1 GLU A 21 0.030 16.705 9.692 1.00 2.11 O ATOM 310 OE2 GLU A 21 1.145 15.383 8.336 1.00 62.24 O ATOM 0 H GLU A 21 -1.806 16.708 5.088 1.00 32.11 H new ATOM 0 HA GLU A 21 0.739 15.844 4.255 1.00 45.31 H new ATOM 0 HB2 GLU A 21 1.484 16.803 6.380 1.00 33.44 H new ATOM 0 HB3 GLU A 21 0.324 17.862 5.604 1.00 33.44 H new ATOM 0 HG2 GLU A 21 -0.705 17.915 7.606 1.00 41.43 H new ATOM 0 HG3 GLU A 21 -1.334 16.337 7.175 1.00 41.43 H new ATOM 318 N GLN A 22 -0.827 13.852 6.272 1.00 4.00 N ATOM 319 CA GLN A 22 -0.779 12.552 6.931 1.00 23.11 C ATOM 320 C GLN A 22 -0.667 11.427 5.907 1.00 53.11 C ATOM 321 O GLN A 22 -0.085 10.379 6.186 1.00 1.03 O ATOM 322 CB GLN A 22 -2.025 12.349 7.794 1.00 53.22 C ATOM 323 CG GLN A 22 -1.938 11.142 8.714 1.00 13.32 C ATOM 324 CD GLN A 22 -3.125 11.035 9.652 1.00 63.31 C ATOM 325 OE1 GLN A 22 -3.865 11.999 9.847 1.00 33.33 O ATOM 326 NE2 GLN A 22 -3.313 9.857 10.237 1.00 72.04 N ATOM 0 H GLN A 22 -1.757 14.268 6.227 1.00 4.00 H new ATOM 0 HA GLN A 22 0.105 12.528 7.569 1.00 23.11 H new ATOM 0 HB2 GLN A 22 -2.190 13.243 8.396 1.00 53.22 H new ATOM 0 HB3 GLN A 22 -2.893 12.238 7.144 1.00 53.22 H new ATOM 0 HG2 GLN A 22 -1.873 10.235 8.112 1.00 13.32 H new ATOM 0 HG3 GLN A 22 -1.021 11.202 9.300 1.00 13.32 H new ATOM 0 HE21 GLN A 22 -2.674 9.085 10.046 1.00 72.04 H new ATOM 0 HE22 GLN A 22 -4.096 9.725 10.877 1.00 72.04 H new ATOM 335 N GLU A 23 -1.228 11.651 4.724 1.00 62.32 N ATOM 336 CA GLU A 23 -1.191 10.655 3.660 1.00 31.21 C ATOM 337 C GLU A 23 0.227 10.480 3.127 1.00 42.42 C ATOM 338 O GLU A 23 1.100 11.316 3.366 1.00 43.23 O ATOM 339 CB GLU A 23 -2.130 11.057 2.521 1.00 72.33 C ATOM 340 CG GLU A 23 -3.593 11.107 2.926 1.00 20.12 C ATOM 341 CD GLU A 23 -4.415 12.019 2.036 1.00 61.13 C ATOM 342 OE1 GLU A 23 -5.621 12.185 2.310 1.00 34.51 O ATOM 343 OE2 GLU A 23 -3.851 12.567 1.065 1.00 21.54 O ATOM 0 H GLU A 23 -1.714 12.513 4.478 1.00 62.32 H new ATOM 0 HA GLU A 23 -1.524 9.704 4.077 1.00 31.21 H new ATOM 0 HB2 GLU A 23 -1.832 12.036 2.145 1.00 72.33 H new ATOM 0 HB3 GLU A 23 -2.013 10.351 1.699 1.00 72.33 H new ATOM 0 HG2 GLU A 23 -4.010 10.100 2.892 1.00 20.12 H new ATOM 0 HG3 GLU A 23 -3.669 11.449 3.958 1.00 20.12 H new ATOM 351 N LEU A 24 0.452 9.389 2.405 1.00 25.35 N ATOM 352 CA LEU A 24 1.765 9.102 1.837 1.00 32.20 C ATOM 353 C LEU A 24 1.739 9.220 0.317 1.00 61.24 C ATOM 354 O LEU A 24 0.746 8.879 -0.325 1.00 32.41 O ATOM 355 CB LEU A 24 2.223 7.700 2.243 1.00 51.42 C ATOM 356 CG LEU A 24 3.680 7.573 2.692 1.00 74.45 C ATOM 357 CD1 LEU A 24 4.097 6.112 2.746 1.00 1.11 C ATOM 358 CD2 LEU A 24 4.594 8.356 1.761 1.00 53.35 C ATOM 0 H LEU A 24 -0.259 8.687 2.198 1.00 25.35 H new ATOM 0 HA LEU A 24 2.470 9.836 2.228 1.00 32.20 H new ATOM 0 HB2 LEU A 24 1.582 7.351 3.053 1.00 51.42 H new ATOM 0 HB3 LEU A 24 2.064 7.029 1.399 1.00 51.42 H new ATOM 0 HG LEU A 24 3.769 7.992 3.694 1.00 74.45 H new ATOM 0 HD11 LEU A 24 5.136 6.042 3.067 1.00 1.11 H new ATOM 0 HD12 LEU A 24 3.462 5.578 3.453 1.00 1.11 H new ATOM 0 HD13 LEU A 24 3.992 5.667 1.757 1.00 1.11 H new ATOM 0 HD21 LEU A 24 5.627 8.255 2.095 1.00 53.35 H new ATOM 0 HD22 LEU A 24 4.501 7.967 0.747 1.00 53.35 H new ATOM 0 HD23 LEU A 24 4.310 9.408 1.773 1.00 53.35 H new ATOM 370 N ASP A 25 2.837 9.705 -0.253 1.00 14.52 N ATOM 371 CA ASP A 25 2.942 9.865 -1.698 1.00 40.22 C ATOM 372 C ASP A 25 3.340 8.551 -2.363 1.00 75.13 C ATOM 373 O ASP A 25 4.202 7.828 -1.863 1.00 22.24 O ATOM 374 CB ASP A 25 3.962 10.953 -2.039 1.00 72.23 C ATOM 375 CG ASP A 25 5.357 10.397 -2.236 1.00 44.35 C ATOM 376 OD1 ASP A 25 5.885 9.768 -1.295 1.00 10.30 O ATOM 377 OD2 ASP A 25 5.923 10.590 -3.332 1.00 2.30 O ATOM 0 H ASP A 25 3.667 9.994 0.264 1.00 14.52 H new ATOM 0 HA ASP A 25 1.964 10.162 -2.078 1.00 40.22 H new ATOM 0 HB2 ASP A 25 3.648 11.469 -2.946 1.00 72.23 H new ATOM 0 HB3 ASP A 25 3.979 11.694 -1.240 1.00 72.23 H new ATOM 383 N ILE A 26 2.707 8.250 -3.492 1.00 75.21 N ATOM 384 CA ILE A 26 2.995 7.024 -4.225 1.00 11.02 C ATOM 385 C ILE A 26 3.462 7.328 -5.643 1.00 64.41 C ATOM 386 O ILE A 26 3.537 8.488 -6.050 1.00 13.52 O ATOM 387 CB ILE A 26 1.763 6.103 -4.288 1.00 34.23 C ATOM 388 CG1 ILE A 26 0.937 6.404 -5.540 1.00 61.23 C ATOM 389 CG2 ILE A 26 0.914 6.266 -3.036 1.00 1.12 C ATOM 390 CD1 ILE A 26 -0.353 5.619 -5.618 1.00 20.12 C ATOM 0 H ILE A 26 1.991 8.839 -3.919 1.00 75.21 H new ATOM 0 HA ILE A 26 3.792 6.514 -3.685 1.00 11.02 H new ATOM 0 HB ILE A 26 2.104 5.069 -4.340 1.00 34.23 H new ATOM 0 HG12 ILE A 26 0.706 7.469 -5.565 1.00 61.23 H new ATOM 0 HG13 ILE A 26 1.539 6.187 -6.423 1.00 61.23 H new ATOM 0 HG21 ILE A 26 0.047 5.608 -3.096 1.00 1.12 H new ATOM 0 HG22 ILE A 26 1.506 6.007 -2.158 1.00 1.12 H new ATOM 0 HG23 ILE A 26 0.580 7.300 -2.955 1.00 1.12 H new ATOM 0 HD11 ILE A 26 -0.886 5.884 -6.531 1.00 20.12 H new ATOM 0 HD12 ILE A 26 -0.130 4.552 -5.625 1.00 20.12 H new ATOM 0 HD13 ILE A 26 -0.975 5.854 -4.754 1.00 20.12 H new ATOM 402 N LYS A 27 3.773 6.278 -6.397 1.00 15.32 N ATOM 403 CA LYS A 27 4.230 6.431 -7.773 1.00 52.32 C ATOM 404 C LYS A 27 3.874 5.203 -8.604 1.00 21.21 C ATOM 405 O LYS A 27 3.963 4.071 -8.128 1.00 30.54 O ATOM 406 CB LYS A 27 5.743 6.663 -7.807 1.00 62.32 C ATOM 407 CG LYS A 27 6.305 6.802 -9.211 1.00 22.40 C ATOM 408 CD LYS A 27 6.029 8.181 -9.787 1.00 1.41 C ATOM 409 CE LYS A 27 5.331 8.093 -11.135 1.00 62.55 C ATOM 410 NZ LYS A 27 5.687 9.236 -12.021 1.00 31.53 N ATOM 0 H LYS A 27 3.717 5.311 -6.077 1.00 15.32 H new ATOM 0 HA LYS A 27 3.726 7.297 -8.203 1.00 52.32 H new ATOM 0 HB2 LYS A 27 5.977 7.564 -7.240 1.00 62.32 H new ATOM 0 HB3 LYS A 27 6.241 5.833 -7.306 1.00 62.32 H new ATOM 0 HG2 LYS A 27 7.380 6.622 -9.193 1.00 22.40 H new ATOM 0 HG3 LYS A 27 5.865 6.042 -9.857 1.00 22.40 H new ATOM 0 HD2 LYS A 27 5.410 8.749 -9.092 1.00 1.41 H new ATOM 0 HD3 LYS A 27 6.967 8.725 -9.897 1.00 1.41 H new ATOM 0 HE2 LYS A 27 5.602 7.157 -11.624 1.00 62.55 H new ATOM 0 HE3 LYS A 27 4.252 8.073 -10.984 1.00 62.55 H new ATOM 0 HZ1 LYS A 27 5.191 9.139 -12.930 1.00 31.53 H new ATOM 0 HZ2 LYS A 27 5.406 10.128 -11.567 1.00 31.53 H new ATOM 0 HZ3 LYS A 27 6.714 9.240 -12.186 1.00 31.53 H new ATOM 424 N LYS A 28 3.473 5.434 -9.849 1.00 2.24 N ATOM 425 CA LYS A 28 3.106 4.346 -10.749 1.00 54.21 C ATOM 426 C LYS A 28 4.137 3.223 -10.694 1.00 74.10 C ATOM 427 O LYS A 28 5.302 3.421 -11.036 1.00 13.44 O ATOM 428 CB LYS A 28 2.976 4.864 -12.183 1.00 14.24 C ATOM 429 CG LYS A 28 2.773 3.765 -13.211 1.00 64.40 C ATOM 430 CD LYS A 28 1.753 4.168 -14.263 1.00 44.23 C ATOM 431 CE LYS A 28 2.195 3.747 -15.657 1.00 4.13 C ATOM 432 NZ LYS A 28 1.292 4.285 -16.711 1.00 3.12 N ATOM 0 H LYS A 28 3.394 6.365 -10.258 1.00 2.24 H new ATOM 0 HA LYS A 28 2.144 3.949 -10.425 1.00 54.21 H new ATOM 0 HB2 LYS A 28 2.137 5.558 -12.235 1.00 14.24 H new ATOM 0 HB3 LYS A 28 3.873 5.428 -12.439 1.00 14.24 H new ATOM 0 HG2 LYS A 28 3.723 3.536 -13.693 1.00 64.40 H new ATOM 0 HG3 LYS A 28 2.442 2.855 -12.711 1.00 64.40 H new ATOM 0 HD2 LYS A 28 0.790 3.712 -14.032 1.00 44.23 H new ATOM 0 HD3 LYS A 28 1.608 5.248 -14.236 1.00 44.23 H new ATOM 0 HE2 LYS A 28 3.212 4.097 -15.837 1.00 4.13 H new ATOM 0 HE3 LYS A 28 2.217 2.659 -15.718 1.00 4.13 H new ATOM 0 HZ1 LYS A 28 1.627 3.976 -17.646 1.00 3.12 H new ATOM 0 HZ2 LYS A 28 0.327 3.931 -16.555 1.00 3.12 H new ATOM 0 HZ3 LYS A 28 1.291 5.324 -16.670 1.00 3.12 H new ATOM 446 N ASN A 29 3.699 2.044 -10.263 1.00 31.30 N ATOM 447 CA ASN A 29 4.585 0.889 -10.165 1.00 60.23 C ATOM 448 C ASN A 29 5.482 0.996 -8.936 1.00 0.25 C ATOM 449 O ASN A 29 6.636 0.571 -8.960 1.00 42.45 O ATOM 450 CB ASN A 29 5.441 0.769 -11.427 1.00 0.22 C ATOM 451 CG ASN A 29 5.320 -0.595 -12.079 1.00 54.50 C ATOM 452 OD1 ASN A 29 5.896 -1.575 -11.605 1.00 54.31 O ATOM 453 ND2 ASN A 29 4.570 -0.664 -13.171 1.00 63.23 N ATOM 0 H ASN A 29 2.737 1.863 -9.976 1.00 31.30 H new ATOM 0 HA ASN A 29 3.969 -0.005 -10.066 1.00 60.23 H new ATOM 0 HB2 ASN A 29 5.142 1.537 -12.140 1.00 0.22 H new ATOM 0 HB3 ASN A 29 6.485 0.957 -11.174 1.00 0.22 H new ATOM 0 HD21 ASN A 29 4.452 -1.555 -13.653 1.00 63.23 H new ATOM 0 HD22 ASN A 29 4.111 0.174 -13.528 1.00 63.23 H new ATOM 460 N GLU A 30 4.942 1.564 -7.862 1.00 12.32 N ATOM 461 CA GLU A 30 5.694 1.725 -6.624 1.00 40.05 C ATOM 462 C GLU A 30 5.208 0.746 -5.560 1.00 54.22 C ATOM 463 O GLU A 30 4.044 0.775 -5.160 1.00 5.04 O ATOM 464 CB GLU A 30 5.568 3.160 -6.107 1.00 61.24 C ATOM 465 CG GLU A 30 6.448 3.454 -4.904 1.00 10.33 C ATOM 466 CD GLU A 30 7.141 4.799 -5.002 1.00 13.10 C ATOM 467 OE1 GLU A 30 6.561 5.800 -4.532 1.00 14.31 O ATOM 468 OE2 GLU A 30 8.262 4.851 -5.549 1.00 43.10 O ATOM 0 H GLU A 30 3.987 1.920 -7.825 1.00 12.32 H new ATOM 0 HA GLU A 30 6.742 1.513 -6.836 1.00 40.05 H new ATOM 0 HB2 GLU A 30 5.824 3.850 -6.911 1.00 61.24 H new ATOM 0 HB3 GLU A 30 4.528 3.351 -5.841 1.00 61.24 H new ATOM 0 HG2 GLU A 30 5.841 3.428 -3.999 1.00 10.33 H new ATOM 0 HG3 GLU A 30 7.198 2.669 -4.807 1.00 10.33 H new ATOM 476 N ARG A 31 6.108 -0.120 -5.105 1.00 41.02 N ATOM 477 CA ARG A 31 5.770 -1.109 -4.089 1.00 4.12 C ATOM 478 C ARG A 31 5.691 -0.466 -2.708 1.00 53.22 C ATOM 479 O ARG A 31 6.568 0.307 -2.320 1.00 62.23 O ATOM 480 CB ARG A 31 6.806 -2.236 -4.080 1.00 64.12 C ATOM 481 CG ARG A 31 7.034 -2.865 -5.445 1.00 60.31 C ATOM 482 CD ARG A 31 5.992 -3.931 -5.748 1.00 75.23 C ATOM 483 NE ARG A 31 6.602 -5.213 -6.087 1.00 43.31 N ATOM 484 CZ ARG A 31 6.996 -6.102 -5.183 1.00 2.51 C ATOM 485 NH1 ARG A 31 6.843 -5.850 -3.890 1.00 44.42 N ATOM 486 NH2 ARG A 31 7.544 -7.246 -5.571 1.00 21.05 N ATOM 0 H ARG A 31 7.076 -0.156 -5.424 1.00 41.02 H new ATOM 0 HA ARG A 31 4.792 -1.524 -4.333 1.00 4.12 H new ATOM 0 HB2 ARG A 31 7.753 -1.845 -3.707 1.00 64.12 H new ATOM 0 HB3 ARG A 31 6.483 -3.009 -3.382 1.00 64.12 H new ATOM 0 HG2 ARG A 31 7.000 -2.092 -6.213 1.00 60.31 H new ATOM 0 HG3 ARG A 31 8.030 -3.307 -5.482 1.00 60.31 H new ATOM 0 HD2 ARG A 31 5.341 -4.057 -4.883 1.00 75.23 H new ATOM 0 HD3 ARG A 31 5.364 -3.599 -6.574 1.00 75.23 H new ATOM 0 HE ARG A 31 6.733 -5.438 -7.073 1.00 43.31 H new ATOM 0 HH11 ARG A 31 6.422 -4.972 -3.588 1.00 44.42 H new ATOM 0 HH12 ARG A 31 7.147 -6.535 -3.198 1.00 44.42 H new ATOM 0 HH21 ARG A 31 7.663 -7.443 -6.565 1.00 21.05 H new ATOM 0 HH22 ARG A 31 7.846 -7.928 -4.876 1.00 21.05 H new ATOM 500 N LEU A 32 4.635 -0.789 -1.970 1.00 1.44 N ATOM 501 CA LEU A 32 4.441 -0.243 -0.632 1.00 61.02 C ATOM 502 C LEU A 32 4.043 -1.338 0.351 1.00 35.12 C ATOM 503 O LEU A 32 3.322 -2.271 -0.002 1.00 4.12 O ATOM 504 CB LEU A 32 3.370 0.850 -0.656 1.00 20.32 C ATOM 505 CG LEU A 32 3.779 2.176 -1.298 1.00 73.24 C ATOM 506 CD1 LEU A 32 2.574 2.860 -1.926 1.00 33.22 C ATOM 507 CD2 LEU A 32 4.435 3.086 -0.270 1.00 3.23 C ATOM 0 H LEU A 32 3.900 -1.426 -2.276 1.00 1.44 H new ATOM 0 HA LEU A 32 5.386 0.189 -0.303 1.00 61.02 H new ATOM 0 HB2 LEU A 32 2.499 0.466 -1.187 1.00 20.32 H new ATOM 0 HB3 LEU A 32 3.057 1.047 0.369 1.00 20.32 H new ATOM 0 HG LEU A 32 4.504 1.968 -2.085 1.00 73.24 H new ATOM 0 HD11 LEU A 32 2.885 3.802 -2.378 1.00 33.22 H new ATOM 0 HD12 LEU A 32 2.147 2.213 -2.693 1.00 33.22 H new ATOM 0 HD13 LEU A 32 1.825 3.055 -1.158 1.00 33.22 H new ATOM 0 HD21 LEU A 32 4.720 4.025 -0.744 1.00 3.23 H new ATOM 0 HD22 LEU A 32 3.733 3.286 0.539 1.00 3.23 H new ATOM 0 HD23 LEU A 32 5.323 2.599 0.133 1.00 3.23 H new ATOM 519 N TRP A 33 4.516 -1.217 1.586 1.00 35.25 N ATOM 520 CA TRP A 33 4.207 -2.197 2.622 1.00 30.02 C ATOM 521 C TRP A 33 2.951 -1.800 3.391 1.00 44.41 C ATOM 522 O TRP A 33 2.820 -0.661 3.838 1.00 74.12 O ATOM 523 CB TRP A 33 5.386 -2.339 3.587 1.00 44.24 C ATOM 524 CG TRP A 33 6.643 -2.812 2.922 1.00 51.00 C ATOM 525 CD1 TRP A 33 7.008 -4.107 2.685 1.00 34.11 C ATOM 526 CD2 TRP A 33 7.701 -1.996 2.410 1.00 52.54 C ATOM 527 NE1 TRP A 33 8.230 -4.144 2.057 1.00 53.40 N ATOM 528 CE2 TRP A 33 8.676 -2.862 1.877 1.00 65.21 C ATOM 529 CE3 TRP A 33 7.920 -0.616 2.348 1.00 3.43 C ATOM 530 CZ2 TRP A 33 9.849 -2.392 1.291 1.00 54.31 C ATOM 531 CZ3 TRP A 33 9.085 -0.152 1.768 1.00 64.12 C ATOM 532 CH2 TRP A 33 10.037 -1.038 1.245 1.00 72.24 C ATOM 0 H TRP A 33 5.114 -0.451 1.895 1.00 35.25 H new ATOM 0 HA TRP A 33 4.026 -3.156 2.137 1.00 30.02 H new ATOM 0 HB2 TRP A 33 5.575 -1.377 4.063 1.00 44.24 H new ATOM 0 HB3 TRP A 33 5.117 -3.038 4.378 1.00 44.24 H new ATOM 0 HD1 TRP A 33 6.422 -4.974 2.952 1.00 34.11 H new ATOM 0 HE1 TRP A 33 8.724 -4.989 1.771 1.00 53.40 H new ATOM 0 HE3 TRP A 33 7.191 0.075 2.746 1.00 3.43 H new ATOM 0 HZ2 TRP A 33 10.584 -3.073 0.887 1.00 54.31 H new ATOM 0 HZ3 TRP A 33 9.265 0.912 1.717 1.00 64.12 H new ATOM 0 HH2 TRP A 33 10.937 -0.644 0.797 1.00 72.24 H new ATOM 543 N LEU A 34 2.030 -2.746 3.540 1.00 43.25 N ATOM 544 CA LEU A 34 0.784 -2.494 4.255 1.00 3.34 C ATOM 545 C LEU A 34 0.969 -2.690 5.756 1.00 2.04 C ATOM 546 O LEU A 34 1.398 -3.754 6.206 1.00 41.42 O ATOM 547 CB LEU A 34 -0.318 -3.421 3.740 1.00 62.41 C ATOM 548 CG LEU A 34 -1.728 -3.140 4.260 1.00 22.32 C ATOM 549 CD1 LEU A 34 -2.233 -1.802 3.741 1.00 5.45 C ATOM 550 CD2 LEU A 34 -2.677 -4.262 3.861 1.00 73.22 C ATOM 0 H LEU A 34 2.123 -3.694 3.175 1.00 43.25 H new ATOM 0 HA LEU A 34 0.493 -1.459 4.076 1.00 3.34 H new ATOM 0 HB2 LEU A 34 -0.335 -3.363 2.652 1.00 62.41 H new ATOM 0 HB3 LEU A 34 -0.054 -4.446 4.000 1.00 62.41 H new ATOM 0 HG LEU A 34 -1.690 -3.092 5.348 1.00 22.32 H new ATOM 0 HD11 LEU A 34 -3.238 -1.620 4.122 1.00 5.45 H new ATOM 0 HD12 LEU A 34 -1.568 -1.007 4.077 1.00 5.45 H new ATOM 0 HD13 LEU A 34 -2.256 -1.819 2.651 1.00 5.45 H new ATOM 0 HD21 LEU A 34 -3.676 -4.045 4.239 1.00 73.22 H new ATOM 0 HD22 LEU A 34 -2.710 -4.342 2.774 1.00 73.22 H new ATOM 0 HD23 LEU A 34 -2.325 -5.203 4.283 1.00 73.22 H new ATOM 562 N LEU A 35 0.640 -1.659 6.527 1.00 23.04 N ATOM 563 CA LEU A 35 0.767 -1.719 7.980 1.00 44.43 C ATOM 564 C LEU A 35 -0.603 -1.823 8.642 1.00 31.02 C ATOM 565 O LEU A 35 -0.853 -2.733 9.432 1.00 32.35 O ATOM 566 CB LEU A 35 1.504 -0.483 8.497 1.00 41.41 C ATOM 567 CG LEU A 35 2.859 -0.189 7.852 1.00 62.44 C ATOM 568 CD1 LEU A 35 3.561 0.948 8.578 1.00 44.20 C ATOM 569 CD2 LEU A 35 3.729 -1.438 7.845 1.00 63.45 C ATOM 0 H LEU A 35 0.284 -0.772 6.171 1.00 23.04 H new ATOM 0 HA LEU A 35 1.341 -2.610 8.235 1.00 44.43 H new ATOM 0 HB2 LEU A 35 0.860 0.385 8.354 1.00 41.41 H new ATOM 0 HB3 LEU A 35 1.653 -0.596 9.571 1.00 41.41 H new ATOM 0 HG LEU A 35 2.689 0.117 6.820 1.00 62.44 H new ATOM 0 HD11 LEU A 35 4.523 1.143 8.105 1.00 44.20 H new ATOM 0 HD12 LEU A 35 2.945 1.846 8.530 1.00 44.20 H new ATOM 0 HD13 LEU A 35 3.719 0.672 9.621 1.00 44.20 H new ATOM 0 HD21 LEU A 35 4.689 -1.210 7.382 1.00 63.45 H new ATOM 0 HD22 LEU A 35 3.890 -1.775 8.869 1.00 63.45 H new ATOM 0 HD23 LEU A 35 3.231 -2.225 7.279 1.00 63.45 H new ATOM 581 N ASP A 36 -1.486 -0.887 8.313 1.00 2.40 N ATOM 582 CA ASP A 36 -2.832 -0.875 8.874 1.00 33.22 C ATOM 583 C ASP A 36 -3.876 -0.684 7.778 1.00 2.43 C ATOM 584 O ASP A 36 -3.975 0.389 7.182 1.00 23.31 O ATOM 585 CB ASP A 36 -2.962 0.235 9.919 1.00 23.51 C ATOM 586 CG ASP A 36 -3.270 -0.305 11.301 1.00 41.31 C ATOM 587 OD1 ASP A 36 -2.795 -1.414 11.625 1.00 41.42 O ATOM 588 OD2 ASP A 36 -3.986 0.381 12.060 1.00 13.41 O ATOM 0 H ASP A 36 -1.294 -0.127 7.661 1.00 2.40 H new ATOM 0 HA ASP A 36 -3.008 -1.838 9.354 1.00 33.22 H new ATOM 0 HB2 ASP A 36 -2.035 0.808 9.954 1.00 23.51 H new ATOM 0 HB3 ASP A 36 -3.751 0.924 9.617 1.00 23.51 H new ATOM 594 N ASP A 37 -4.650 -1.731 7.517 1.00 44.30 N ATOM 595 CA ASP A 37 -5.686 -1.679 6.491 1.00 14.45 C ATOM 596 C ASP A 37 -7.066 -1.901 7.103 1.00 71.41 C ATOM 597 O ASP A 37 -7.942 -2.503 6.482 1.00 2.22 O ATOM 598 CB ASP A 37 -5.419 -2.729 5.412 1.00 2.13 C ATOM 599 CG ASP A 37 -4.933 -4.044 5.990 1.00 52.45 C ATOM 600 OD1 ASP A 37 -5.686 -5.037 5.923 1.00 31.34 O ATOM 601 OD2 ASP A 37 -3.797 -4.079 6.510 1.00 65.13 O ATOM 0 H ASP A 37 -4.580 -2.626 8.001 1.00 44.30 H new ATOM 0 HA ASP A 37 -5.663 -0.689 6.036 1.00 14.45 H new ATOM 0 HB2 ASP A 37 -6.333 -2.901 4.843 1.00 2.13 H new ATOM 0 HB3 ASP A 37 -4.676 -2.346 4.713 1.00 2.13 H new ATOM 607 N SER A 38 -7.253 -1.409 8.323 1.00 53.10 N ATOM 608 CA SER A 38 -8.525 -1.557 9.021 1.00 51.41 C ATOM 609 C SER A 38 -9.412 -0.337 8.796 1.00 22.53 C ATOM 610 O SER A 38 -10.606 -0.464 8.521 1.00 34.14 O ATOM 611 CB SER A 38 -8.289 -1.760 10.519 1.00 3.04 C ATOM 612 OG SER A 38 -9.483 -2.148 11.175 1.00 2.02 O ATOM 0 H SER A 38 -6.540 -0.904 8.849 1.00 53.10 H new ATOM 0 HA SER A 38 -9.032 -2.434 8.618 1.00 51.41 H new ATOM 0 HB2 SER A 38 -7.524 -2.521 10.670 1.00 3.04 H new ATOM 0 HB3 SER A 38 -7.912 -0.837 10.959 1.00 3.04 H new ATOM 0 HG SER A 38 -9.305 -2.273 12.131 1.00 2.02 H new ATOM 618 N LYS A 39 -8.822 0.847 8.914 1.00 61.12 N ATOM 619 CA LYS A 39 -9.556 2.092 8.723 1.00 71.35 C ATOM 620 C LYS A 39 -9.820 2.347 7.242 1.00 14.42 C ATOM 621 O LYS A 39 -9.074 1.882 6.380 1.00 15.23 O ATOM 622 CB LYS A 39 -8.776 3.265 9.322 1.00 31.42 C ATOM 623 CG LYS A 39 -9.157 3.577 10.759 1.00 50.02 C ATOM 624 CD LYS A 39 -10.320 4.552 10.828 1.00 33.45 C ATOM 625 CE LYS A 39 -11.058 4.447 12.155 1.00 61.21 C ATOM 626 NZ LYS A 39 -12.108 5.495 12.291 1.00 4.44 N ATOM 0 H LYS A 39 -7.835 0.971 9.141 1.00 61.12 H new ATOM 0 HA LYS A 39 -10.514 2.001 9.234 1.00 71.35 H new ATOM 0 HB2 LYS A 39 -7.710 3.042 9.278 1.00 31.42 H new ATOM 0 HB3 LYS A 39 -8.942 4.152 8.710 1.00 31.42 H new ATOM 0 HG2 LYS A 39 -9.424 2.654 11.274 1.00 50.02 H new ATOM 0 HG3 LYS A 39 -8.297 3.997 11.281 1.00 50.02 H new ATOM 0 HD2 LYS A 39 -9.952 5.569 10.695 1.00 33.45 H new ATOM 0 HD3 LYS A 39 -11.012 4.354 10.009 1.00 33.45 H new ATOM 0 HE2 LYS A 39 -11.516 3.461 12.239 1.00 61.21 H new ATOM 0 HE3 LYS A 39 -10.346 4.538 12.975 1.00 61.21 H new ATOM 0 HZ1 LYS A 39 -12.587 5.389 13.208 1.00 4.44 H new ATOM 0 HZ2 LYS A 39 -11.668 6.436 12.237 1.00 4.44 H new ATOM 0 HZ3 LYS A 39 -12.802 5.392 11.524 1.00 4.44 H new ATOM 640 N SER A 40 -10.885 3.088 6.954 1.00 11.01 N ATOM 641 CA SER A 40 -11.247 3.402 5.578 1.00 65.54 C ATOM 642 C SER A 40 -10.002 3.572 4.713 1.00 63.25 C ATOM 643 O SER A 40 -9.905 3.003 3.626 1.00 24.24 O ATOM 644 CB SER A 40 -12.095 4.675 5.529 1.00 45.03 C ATOM 645 OG SER A 40 -12.885 4.717 4.354 1.00 64.34 O ATOM 0 H SER A 40 -11.512 3.482 7.656 1.00 11.01 H new ATOM 0 HA SER A 40 -11.830 2.570 5.183 1.00 65.54 H new ATOM 0 HB2 SER A 40 -12.740 4.720 6.406 1.00 45.03 H new ATOM 0 HB3 SER A 40 -11.446 5.550 5.566 1.00 45.03 H new ATOM 0 HG SER A 40 -13.418 5.539 4.348 1.00 64.34 H new ATOM 651 N TRP A 41 -9.053 4.361 5.204 1.00 21.31 N ATOM 652 CA TRP A 41 -7.813 4.607 4.476 1.00 75.21 C ATOM 653 C TRP A 41 -6.779 3.531 4.784 1.00 42.30 C ATOM 654 O TRP A 41 -6.487 3.251 5.947 1.00 71.20 O ATOM 655 CB TRP A 41 -7.255 5.986 4.833 1.00 10.42 C ATOM 656 CG TRP A 41 -8.016 7.116 4.208 1.00 15.31 C ATOM 657 CD1 TRP A 41 -9.283 7.521 4.519 1.00 10.11 C ATOM 658 CD2 TRP A 41 -7.560 7.984 3.165 1.00 12.30 C ATOM 659 NE1 TRP A 41 -9.641 8.588 3.731 1.00 34.52 N ATOM 660 CE2 TRP A 41 -8.601 8.891 2.894 1.00 63.35 C ATOM 661 CE3 TRP A 41 -6.372 8.083 2.436 1.00 51.12 C ATOM 662 CZ2 TRP A 41 -8.489 9.884 1.922 1.00 35.42 C ATOM 663 CZ3 TRP A 41 -6.263 9.068 1.472 1.00 55.30 C ATOM 664 CH2 TRP A 41 -7.315 9.958 1.224 1.00 62.33 C ATOM 0 H TRP A 41 -9.118 4.841 6.102 1.00 21.31 H new ATOM 0 HA TRP A 41 -8.034 4.577 3.409 1.00 75.21 H new ATOM 0 HB2 TRP A 41 -7.267 6.105 5.916 1.00 10.42 H new ATOM 0 HB3 TRP A 41 -6.213 6.041 4.518 1.00 10.42 H new ATOM 0 HD1 TRP A 41 -9.911 7.069 5.273 1.00 10.11 H new ATOM 0 HE1 TRP A 41 -10.536 9.075 3.764 1.00 34.52 H new ATOM 0 HE3 TRP A 41 -5.554 7.403 2.622 1.00 51.12 H new ATOM 0 HZ2 TRP A 41 -9.300 10.570 1.727 1.00 35.42 H new ATOM 0 HZ3 TRP A 41 -5.351 9.152 0.900 1.00 55.30 H new ATOM 0 HH2 TRP A 41 -7.197 10.718 0.466 1.00 62.33 H new ATOM 675 N TRP A 42 -6.226 2.930 3.736 1.00 73.45 N ATOM 676 CA TRP A 42 -5.223 1.885 3.895 1.00 4.20 C ATOM 677 C TRP A 42 -3.847 2.485 4.162 1.00 33.44 C ATOM 678 O TRP A 42 -3.256 3.118 3.287 1.00 61.41 O ATOM 679 CB TRP A 42 -5.175 1.002 2.647 1.00 1.42 C ATOM 680 CG TRP A 42 -6.157 -0.129 2.680 1.00 12.15 C ATOM 681 CD1 TRP A 42 -7.266 -0.228 3.471 1.00 32.44 C ATOM 682 CD2 TRP A 42 -6.117 -1.322 1.891 1.00 24.52 C ATOM 683 NE1 TRP A 42 -7.919 -1.411 3.220 1.00 43.13 N ATOM 684 CE2 TRP A 42 -7.235 -2.100 2.253 1.00 53.31 C ATOM 685 CE3 TRP A 42 -5.248 -1.809 0.910 1.00 32.41 C ATOM 686 CZ2 TRP A 42 -7.502 -3.335 1.671 1.00 24.44 C ATOM 687 CZ3 TRP A 42 -5.515 -3.036 0.333 1.00 22.31 C ATOM 688 CH2 TRP A 42 -6.635 -3.789 0.714 1.00 54.44 C ATOM 0 H TRP A 42 -6.456 3.149 2.767 1.00 73.45 H new ATOM 0 HA TRP A 42 -5.504 1.275 4.753 1.00 4.20 H new ATOM 0 HB2 TRP A 42 -5.370 1.617 1.768 1.00 1.42 H new ATOM 0 HB3 TRP A 42 -4.169 0.597 2.536 1.00 1.42 H new ATOM 0 HD1 TRP A 42 -7.583 0.514 4.188 1.00 32.44 H new ATOM 0 HE1 TRP A 42 -8.774 -1.725 3.679 1.00 43.13 H new ATOM 0 HE3 TRP A 42 -4.383 -1.236 0.608 1.00 32.41 H new ATOM 0 HZ2 TRP A 42 -8.364 -3.916 1.964 1.00 24.44 H new ATOM 0 HZ3 TRP A 42 -4.849 -3.422 -0.425 1.00 22.31 H new ATOM 0 HH2 TRP A 42 -6.817 -4.744 0.244 1.00 54.44 H new ATOM 699 N ARG A 43 -3.343 2.283 5.375 1.00 61.50 N ATOM 700 CA ARG A 43 -2.037 2.806 5.757 1.00 41.31 C ATOM 701 C ARG A 43 -0.918 1.928 5.206 1.00 3.22 C ATOM 702 O ARG A 43 -0.903 0.716 5.419 1.00 1.10 O ATOM 703 CB ARG A 43 -1.926 2.898 7.280 1.00 5.22 C ATOM 704 CG ARG A 43 -0.522 3.213 7.770 1.00 41.41 C ATOM 705 CD ARG A 43 -0.536 3.746 9.194 1.00 4.13 C ATOM 706 NE ARG A 43 0.805 4.080 9.666 1.00 1.14 N ATOM 707 CZ ARG A 43 1.076 4.434 10.918 1.00 11.34 C ATOM 708 NH1 ARG A 43 0.105 4.499 11.817 1.00 11.10 N ATOM 709 NH2 ARG A 43 2.322 4.722 11.272 1.00 41.53 N ATOM 0 H ARG A 43 -3.820 1.761 6.110 1.00 61.50 H new ATOM 0 HA ARG A 43 -1.935 3.804 5.332 1.00 41.31 H new ATOM 0 HB2 ARG A 43 -2.609 3.668 7.640 1.00 5.22 H new ATOM 0 HB3 ARG A 43 -2.251 1.954 7.717 1.00 5.22 H new ATOM 0 HG2 ARG A 43 0.091 2.313 7.723 1.00 41.41 H new ATOM 0 HG3 ARG A 43 -0.061 3.948 7.110 1.00 41.41 H new ATOM 0 HD2 ARG A 43 -1.169 4.632 9.243 1.00 4.13 H new ATOM 0 HD3 ARG A 43 -0.978 3.001 9.856 1.00 4.13 H new ATOM 0 HE ARG A 43 1.575 4.039 8.999 1.00 1.14 H new ATOM 0 HH11 ARG A 43 -0.854 4.277 11.549 1.00 11.10 H new ATOM 0 HH12 ARG A 43 0.316 4.771 12.777 1.00 11.10 H new ATOM 0 HH21 ARG A 43 3.072 4.672 10.583 1.00 41.53 H new ATOM 0 HH22 ARG A 43 2.529 4.994 12.233 1.00 41.53 H new ATOM 723 N VAL A 44 0.020 2.548 4.495 1.00 31.42 N ATOM 724 CA VAL A 44 1.143 1.824 3.914 1.00 40.13 C ATOM 725 C VAL A 44 2.466 2.506 4.243 1.00 13.20 C ATOM 726 O VAL A 44 2.489 3.607 4.792 1.00 65.45 O ATOM 727 CB VAL A 44 1.005 1.708 2.384 1.00 21.51 C ATOM 728 CG1 VAL A 44 -0.323 1.064 2.016 1.00 65.44 C ATOM 729 CG2 VAL A 44 1.144 3.074 1.732 1.00 43.20 C ATOM 0 H VAL A 44 0.023 3.551 4.308 1.00 31.42 H new ATOM 0 HA VAL A 44 1.134 0.825 4.349 1.00 40.13 H new ATOM 0 HB VAL A 44 1.806 1.070 2.011 1.00 21.51 H new ATOM 0 HG11 VAL A 44 -0.403 0.990 0.931 1.00 65.44 H new ATOM 0 HG12 VAL A 44 -0.377 0.067 2.453 1.00 65.44 H new ATOM 0 HG13 VAL A 44 -1.141 1.673 2.400 1.00 65.44 H new ATOM 0 HG21 VAL A 44 1.044 2.973 0.651 1.00 43.20 H new ATOM 0 HG22 VAL A 44 0.365 3.738 2.108 1.00 43.20 H new ATOM 0 HG23 VAL A 44 2.123 3.492 1.968 1.00 43.20 H new ATOM 739 N ARG A 45 3.567 1.844 3.905 1.00 43.50 N ATOM 740 CA ARG A 45 4.895 2.386 4.165 1.00 30.15 C ATOM 741 C ARG A 45 5.705 2.485 2.875 1.00 5.35 C ATOM 742 O ARG A 45 5.439 1.771 1.909 1.00 44.43 O ATOM 743 CB ARG A 45 5.636 1.512 5.179 1.00 51.13 C ATOM 744 CG ARG A 45 6.591 2.289 6.069 1.00 52.25 C ATOM 745 CD ARG A 45 7.656 1.384 6.669 1.00 24.43 C ATOM 746 NE ARG A 45 8.873 1.362 5.862 1.00 72.13 N ATOM 747 CZ ARG A 45 10.012 0.807 6.264 1.00 61.23 C ATOM 748 NH1 ARG A 45 10.087 0.231 7.456 1.00 62.21 N ATOM 749 NH2 ARG A 45 11.077 0.828 5.473 1.00 22.44 N ATOM 0 H ARG A 45 3.566 0.931 3.450 1.00 43.50 H new ATOM 0 HA ARG A 45 4.776 3.388 4.577 1.00 30.15 H new ATOM 0 HB2 ARG A 45 4.906 0.998 5.805 1.00 51.13 H new ATOM 0 HB3 ARG A 45 6.195 0.744 4.644 1.00 51.13 H new ATOM 0 HG2 ARG A 45 7.068 3.079 5.490 1.00 52.25 H new ATOM 0 HG3 ARG A 45 6.031 2.774 6.869 1.00 52.25 H new ATOM 0 HD2 ARG A 45 7.895 1.724 7.677 1.00 24.43 H new ATOM 0 HD3 ARG A 45 7.263 0.372 6.759 1.00 24.43 H new ATOM 0 HE ARG A 45 8.848 1.796 4.939 1.00 72.13 H new ATOM 0 HH11 ARG A 45 9.270 0.213 8.066 1.00 62.21 H new ATOM 0 HH12 ARG A 45 10.962 -0.194 7.763 1.00 62.21 H new ATOM 0 HH21 ARG A 45 11.022 1.270 4.556 1.00 22.44 H new ATOM 0 HH22 ARG A 45 11.951 0.402 5.782 1.00 22.44 H new ATOM 763 N ASN A 46 6.692 3.374 2.869 1.00 3.53 N ATOM 764 CA ASN A 46 7.541 3.566 1.698 1.00 33.35 C ATOM 765 C ASN A 46 8.995 3.232 2.018 1.00 31.34 C ATOM 766 O ASN A 46 9.395 3.210 3.182 1.00 4.21 O ATOM 767 CB ASN A 46 7.435 5.008 1.198 1.00 51.02 C ATOM 768 CG ASN A 46 7.936 5.165 -0.224 1.00 23.04 C ATOM 769 OD1 ASN A 46 9.106 4.916 -0.513 1.00 3.51 O ATOM 770 ND2 ASN A 46 7.050 5.581 -1.121 1.00 63.22 N ATOM 0 H ASN A 46 6.924 3.973 3.661 1.00 3.53 H new ATOM 0 HA ASN A 46 7.196 2.890 0.915 1.00 33.35 H new ATOM 0 HB2 ASN A 46 6.396 5.333 1.252 1.00 51.02 H new ATOM 0 HB3 ASN A 46 8.008 5.661 1.856 1.00 51.02 H new ATOM 0 HD21 ASN A 46 7.329 5.706 -2.094 1.00 63.22 H new ATOM 0 HD22 ASN A 46 6.090 5.776 -0.837 1.00 63.22 H new ATOM 777 N SER A 47 9.779 2.974 0.977 1.00 64.11 N ATOM 778 CA SER A 47 11.188 2.638 1.146 1.00 12.42 C ATOM 779 C SER A 47 11.912 3.719 1.944 1.00 3.12 C ATOM 780 O SER A 47 12.965 3.472 2.530 1.00 43.31 O ATOM 781 CB SER A 47 11.859 2.458 -0.216 1.00 64.13 C ATOM 782 OG SER A 47 11.868 3.674 -0.945 1.00 54.13 O ATOM 0 H SER A 47 9.463 2.991 0.007 1.00 64.11 H new ATOM 0 HA SER A 47 11.248 1.700 1.699 1.00 12.42 H new ATOM 0 HB2 SER A 47 12.881 2.106 -0.078 1.00 64.13 H new ATOM 0 HB3 SER A 47 11.332 1.693 -0.786 1.00 64.13 H new ATOM 0 HG SER A 47 11.002 4.121 -0.846 1.00 54.13 H new ATOM 788 N MET A 48 11.338 4.917 1.961 1.00 35.00 N ATOM 789 CA MET A 48 11.927 6.036 2.688 1.00 23.13 C ATOM 790 C MET A 48 11.596 5.953 4.175 1.00 61.14 C ATOM 791 O MET A 48 11.873 6.881 4.934 1.00 42.42 O ATOM 792 CB MET A 48 11.426 7.363 2.115 1.00 52.20 C ATOM 793 CG MET A 48 12.106 7.759 0.814 1.00 32.35 C ATOM 794 SD MET A 48 13.240 9.145 1.017 1.00 75.15 S ATOM 795 CE MET A 48 14.572 8.365 1.924 1.00 5.30 C ATOM 0 H MET A 48 10.466 5.138 1.480 1.00 35.00 H new ATOM 0 HA MET A 48 13.010 5.984 2.572 1.00 23.13 H new ATOM 0 HB2 MET A 48 10.351 7.294 1.947 1.00 52.20 H new ATOM 0 HB3 MET A 48 11.584 8.150 2.852 1.00 52.20 H new ATOM 0 HG2 MET A 48 12.652 6.903 0.419 1.00 32.35 H new ATOM 0 HG3 MET A 48 11.347 8.021 0.077 1.00 32.35 H new ATOM 0 HE1 MET A 48 15.353 9.098 2.125 1.00 5.30 H new ATOM 0 HE2 MET A 48 14.190 7.974 2.867 1.00 5.30 H new ATOM 0 HE3 MET A 48 14.985 7.548 1.333 1.00 5.30 H new ATOM 805 N ASN A 49 11.003 4.836 4.583 1.00 74.31 N ATOM 806 CA ASN A 49 10.634 4.633 5.979 1.00 53.23 C ATOM 807 C ASN A 49 9.405 5.461 6.343 1.00 72.23 C ATOM 808 O ASN A 49 8.880 5.359 7.452 1.00 34.33 O ATOM 809 CB ASN A 49 11.802 5.004 6.896 1.00 11.20 C ATOM 810 CG ASN A 49 11.441 6.103 7.876 1.00 53.24 C ATOM 811 OD1 ASN A 49 11.576 5.938 9.089 1.00 1.43 O ATOM 812 ND2 ASN A 49 10.979 7.234 7.354 1.00 2.10 N ATOM 0 H ASN A 49 10.768 4.058 3.967 1.00 74.31 H new ATOM 0 HA ASN A 49 10.394 3.579 6.116 1.00 53.23 H new ATOM 0 HB2 ASN A 49 12.122 4.120 7.447 1.00 11.20 H new ATOM 0 HB3 ASN A 49 12.649 5.326 6.289 1.00 11.20 H new ATOM 0 HD21 ASN A 49 10.720 8.009 7.964 1.00 2.10 H new ATOM 0 HD22 ASN A 49 10.883 7.327 6.343 1.00 2.10 H new ATOM 819 N LYS A 50 8.950 6.281 5.402 1.00 40.30 N ATOM 820 CA LYS A 50 7.782 7.126 5.620 1.00 13.43 C ATOM 821 C LYS A 50 6.498 6.305 5.560 1.00 4.32 C ATOM 822 O LYS A 50 6.397 5.347 4.791 1.00 74.51 O ATOM 823 CB LYS A 50 7.735 8.245 4.578 1.00 21.52 C ATOM 824 CG LYS A 50 9.056 8.974 4.406 1.00 3.34 C ATOM 825 CD LYS A 50 9.119 9.709 3.078 1.00 21.51 C ATOM 826 CE LYS A 50 10.058 10.903 3.147 1.00 53.22 C ATOM 827 NZ LYS A 50 10.558 11.294 1.799 1.00 31.31 N ATOM 0 H LYS A 50 9.373 6.378 4.479 1.00 40.30 H new ATOM 0 HA LYS A 50 7.864 7.567 6.613 1.00 13.43 H new ATOM 0 HB2 LYS A 50 7.435 7.824 3.619 1.00 21.52 H new ATOM 0 HB3 LYS A 50 6.968 8.964 4.864 1.00 21.52 H new ATOM 0 HG2 LYS A 50 9.190 9.684 5.222 1.00 3.34 H new ATOM 0 HG3 LYS A 50 9.877 8.260 4.467 1.00 3.34 H new ATOM 0 HD2 LYS A 50 9.454 9.025 2.298 1.00 21.51 H new ATOM 0 HD3 LYS A 50 8.120 10.045 2.799 1.00 21.51 H new ATOM 0 HE2 LYS A 50 9.539 11.747 3.601 1.00 53.22 H new ATOM 0 HE3 LYS A 50 10.903 10.664 3.793 1.00 53.22 H new ATOM 0 HZ1 LYS A 50 10.871 12.286 1.819 1.00 31.31 H new ATOM 0 HZ2 LYS A 50 11.358 10.684 1.535 1.00 31.31 H new ATOM 0 HZ3 LYS A 50 9.795 11.186 1.101 1.00 31.31 H new ATOM 841 N THR A 51 5.519 6.685 6.374 1.00 73.20 N ATOM 842 CA THR A 51 4.241 5.985 6.412 1.00 14.14 C ATOM 843 C THR A 51 3.075 6.966 6.375 1.00 22.34 C ATOM 844 O THR A 51 3.153 8.059 6.931 1.00 70.12 O ATOM 845 CB THR A 51 4.119 5.107 7.673 1.00 53.15 C ATOM 846 OG1 THR A 51 5.421 4.743 8.144 1.00 54.11 O ATOM 847 CG2 THR A 51 3.310 3.853 7.383 1.00 61.30 C ATOM 0 H THR A 51 5.587 7.474 7.016 1.00 73.20 H new ATOM 0 HA THR A 51 4.203 5.347 5.529 1.00 14.14 H new ATOM 0 HB THR A 51 3.603 5.683 8.441 1.00 53.15 H new ATOM 0 HG1 THR A 51 5.335 4.187 8.946 1.00 54.11 H new ATOM 0 HG21 THR A 51 3.238 3.249 8.288 1.00 61.30 H new ATOM 0 HG22 THR A 51 2.310 4.134 7.053 1.00 61.30 H new ATOM 0 HG23 THR A 51 3.802 3.276 6.600 1.00 61.30 H new ATOM 855 N GLY A 52 1.992 6.566 5.714 1.00 3.55 N ATOM 856 CA GLY A 52 0.824 7.421 5.617 1.00 61.11 C ATOM 857 C GLY A 52 -0.431 6.651 5.256 1.00 12.00 C ATOM 858 O GLY A 52 -0.385 5.438 5.048 1.00 35.40 O ATOM 0 H GLY A 52 1.904 5.665 5.244 1.00 3.55 H new ATOM 0 HA2 GLY A 52 0.672 7.932 6.568 1.00 61.11 H new ATOM 0 HA3 GLY A 52 1.003 8.191 4.866 1.00 61.11 H new ATOM 862 N PHE A 53 -1.555 7.356 5.184 1.00 35.32 N ATOM 863 CA PHE A 53 -2.829 6.730 4.850 1.00 65.31 C ATOM 864 C PHE A 53 -3.174 6.952 3.380 1.00 31.41 C ATOM 865 O PHE A 53 -3.154 8.081 2.890 1.00 63.31 O ATOM 866 CB PHE A 53 -3.944 7.287 5.737 1.00 32.10 C ATOM 867 CG PHE A 53 -4.210 6.454 6.959 1.00 64.25 C ATOM 868 CD1 PHE A 53 -4.697 5.162 6.840 1.00 72.23 C ATOM 869 CD2 PHE A 53 -3.973 6.963 8.225 1.00 3.21 C ATOM 870 CE1 PHE A 53 -4.943 4.395 7.962 1.00 33.01 C ATOM 871 CE2 PHE A 53 -4.217 6.200 9.352 1.00 24.23 C ATOM 872 CZ PHE A 53 -4.703 4.913 9.220 1.00 43.14 C ATOM 0 H PHE A 53 -1.610 8.361 5.352 1.00 35.32 H new ATOM 0 HA PHE A 53 -2.736 5.658 5.026 1.00 65.31 H new ATOM 0 HB2 PHE A 53 -3.680 8.298 6.047 1.00 32.10 H new ATOM 0 HB3 PHE A 53 -4.860 7.362 5.151 1.00 32.10 H new ATOM 0 HD1 PHE A 53 -4.886 4.751 5.860 1.00 72.23 H new ATOM 0 HD2 PHE A 53 -3.593 7.968 8.333 1.00 3.21 H new ATOM 0 HE1 PHE A 53 -5.323 3.390 7.856 1.00 33.01 H new ATOM 0 HE2 PHE A 53 -4.028 6.609 10.334 1.00 24.23 H new ATOM 0 HZ PHE A 53 -4.895 4.314 10.098 1.00 43.14 H new ATOM 882 N VAL A 54 -3.491 5.865 2.681 1.00 55.13 N ATOM 883 CA VAL A 54 -3.841 5.940 1.268 1.00 74.23 C ATOM 884 C VAL A 54 -4.982 4.986 0.934 1.00 24.35 C ATOM 885 O VAL A 54 -5.154 3.941 1.561 1.00 12.22 O ATOM 886 CB VAL A 54 -2.632 5.613 0.372 1.00 70.51 C ATOM 887 CG1 VAL A 54 -1.453 6.510 0.718 1.00 21.23 C ATOM 888 CG2 VAL A 54 -2.254 4.146 0.503 1.00 21.14 C ATOM 0 H VAL A 54 -3.512 4.923 3.071 1.00 55.13 H new ATOM 0 HA VAL A 54 -4.160 6.964 1.074 1.00 74.23 H new ATOM 0 HB VAL A 54 -2.908 5.802 -0.665 1.00 70.51 H new ATOM 0 HG11 VAL A 54 -0.608 6.264 0.075 1.00 21.23 H new ATOM 0 HG12 VAL A 54 -1.733 7.553 0.568 1.00 21.23 H new ATOM 0 HG13 VAL A 54 -1.172 6.356 1.760 1.00 21.23 H new ATOM 0 HG21 VAL A 54 -1.398 3.932 -0.137 1.00 21.14 H new ATOM 0 HG22 VAL A 54 -1.996 3.928 1.539 1.00 21.14 H new ATOM 0 HG23 VAL A 54 -3.097 3.525 0.201 1.00 21.14 H new ATOM 898 N PRO A 55 -5.781 5.351 -0.080 1.00 34.15 N ATOM 899 CA PRO A 55 -6.919 4.539 -0.522 1.00 34.04 C ATOM 900 C PRO A 55 -6.480 3.248 -1.204 1.00 52.34 C ATOM 901 O PRO A 55 -5.341 3.129 -1.654 1.00 42.51 O ATOM 902 CB PRO A 55 -7.639 5.452 -1.518 1.00 33.35 C ATOM 903 CG PRO A 55 -6.582 6.372 -2.021 1.00 51.12 C ATOM 904 CD PRO A 55 -5.635 6.583 -0.872 1.00 54.02 C ATOM 0 HA PRO A 55 -7.542 4.221 0.314 1.00 34.04 H new ATOM 0 HB2 PRO A 55 -8.084 4.878 -2.331 1.00 33.35 H new ATOM 0 HB3 PRO A 55 -8.447 6.003 -1.037 1.00 33.35 H new ATOM 0 HG2 PRO A 55 -6.065 5.941 -2.878 1.00 51.12 H new ATOM 0 HG3 PRO A 55 -7.012 7.318 -2.351 1.00 51.12 H new ATOM 0 HD2 PRO A 55 -4.610 6.721 -1.216 1.00 54.02 H new ATOM 0 HD3 PRO A 55 -5.898 7.467 -0.292 1.00 54.02 H new ATOM 912 N SER A 56 -7.392 2.283 -1.277 1.00 52.15 N ATOM 913 CA SER A 56 -7.097 0.999 -1.902 1.00 43.30 C ATOM 914 C SER A 56 -7.496 1.006 -3.375 1.00 54.34 C ATOM 915 O SER A 56 -7.875 -0.022 -3.931 1.00 2.34 O ATOM 916 CB SER A 56 -7.828 -0.127 -1.170 1.00 22.15 C ATOM 917 OG SER A 56 -9.222 0.120 -1.114 1.00 41.02 O ATOM 0 H SER A 56 -8.341 2.366 -0.911 1.00 52.15 H new ATOM 0 HA SER A 56 -6.022 0.829 -1.836 1.00 43.30 H new ATOM 0 HB2 SER A 56 -7.644 -1.074 -1.677 1.00 22.15 H new ATOM 0 HB3 SER A 56 -7.432 -0.224 -0.159 1.00 22.15 H new ATOM 0 HG SER A 56 -9.666 -0.616 -0.643 1.00 41.02 H new ATOM 923 N ASN A 57 -7.406 2.177 -3.999 1.00 34.53 N ATOM 924 CA ASN A 57 -7.759 2.320 -5.407 1.00 52.14 C ATOM 925 C ASN A 57 -6.507 2.411 -6.274 1.00 13.53 C ATOM 926 O ASN A 57 -6.537 2.090 -7.463 1.00 15.15 O ATOM 927 CB ASN A 57 -8.626 3.563 -5.613 1.00 64.20 C ATOM 928 CG ASN A 57 -10.108 3.243 -5.596 1.00 41.04 C ATOM 929 OD1 ASN A 57 -10.739 3.222 -4.540 1.00 12.22 O ATOM 930 ND2 ASN A 57 -10.672 2.993 -6.773 1.00 13.14 N ATOM 0 H ASN A 57 -7.092 3.039 -3.553 1.00 34.53 H new ATOM 0 HA ASN A 57 -8.324 1.437 -5.706 1.00 52.14 H new ATOM 0 HB2 ASN A 57 -8.405 4.290 -4.832 1.00 64.20 H new ATOM 0 HB3 ASN A 57 -8.368 4.029 -6.564 1.00 64.20 H new ATOM 0 HD21 ASN A 57 -11.667 2.773 -6.825 1.00 13.14 H new ATOM 0 HD22 ASN A 57 -10.110 3.021 -7.624 1.00 13.14 H new ATOM 937 N TYR A 58 -5.407 2.848 -5.671 1.00 42.25 N ATOM 938 CA TYR A 58 -4.144 2.983 -6.388 1.00 61.13 C ATOM 939 C TYR A 58 -3.191 1.848 -6.029 1.00 3.53 C ATOM 940 O TYR A 58 -2.303 1.497 -6.808 1.00 32.34 O ATOM 941 CB TYR A 58 -3.494 4.330 -6.071 1.00 62.41 C ATOM 942 CG TYR A 58 -4.286 5.517 -6.571 1.00 43.25 C ATOM 943 CD1 TYR A 58 -5.544 5.805 -6.058 1.00 33.34 C ATOM 944 CD2 TYR A 58 -3.775 6.351 -7.559 1.00 60.02 C ATOM 945 CE1 TYR A 58 -6.271 6.888 -6.514 1.00 35.51 C ATOM 946 CE2 TYR A 58 -4.495 7.437 -8.019 1.00 41.51 C ATOM 947 CZ TYR A 58 -5.742 7.701 -7.494 1.00 51.11 C ATOM 948 OH TYR A 58 -6.462 8.781 -7.950 1.00 71.32 O ATOM 0 H TYR A 58 -5.364 3.115 -4.687 1.00 42.25 H new ATOM 0 HA TYR A 58 -4.355 2.932 -7.456 1.00 61.13 H new ATOM 0 HB2 TYR A 58 -3.366 4.417 -4.992 1.00 62.41 H new ATOM 0 HB3 TYR A 58 -2.498 4.356 -6.513 1.00 62.41 H new ATOM 0 HD1 TYR A 58 -5.961 5.171 -5.289 1.00 33.34 H new ATOM 0 HD2 TYR A 58 -2.799 6.147 -7.974 1.00 60.02 H new ATOM 0 HE1 TYR A 58 -7.249 7.097 -6.105 1.00 35.51 H new ATOM 0 HE2 TYR A 58 -4.083 8.076 -8.786 1.00 41.51 H new ATOM 0 HH TYR A 58 -5.947 9.250 -8.639 1.00 71.32 H new ATOM 958 N VAL A 59 -3.380 1.278 -4.843 1.00 51.51 N ATOM 959 CA VAL A 59 -2.537 0.182 -4.380 1.00 33.03 C ATOM 960 C VAL A 59 -3.341 -1.106 -4.238 1.00 10.33 C ATOM 961 O VAL A 59 -4.569 -1.078 -4.166 1.00 34.15 O ATOM 962 CB VAL A 59 -1.878 0.513 -3.027 1.00 65.22 C ATOM 963 CG1 VAL A 59 -1.148 1.846 -3.101 1.00 24.42 C ATOM 964 CG2 VAL A 59 -2.918 0.527 -1.917 1.00 71.10 C ATOM 0 H VAL A 59 -4.109 1.557 -4.186 1.00 51.51 H new ATOM 0 HA VAL A 59 -1.759 0.042 -5.130 1.00 33.03 H new ATOM 0 HB VAL A 59 -1.147 -0.263 -2.799 1.00 65.22 H new ATOM 0 HG11 VAL A 59 -0.689 2.063 -2.137 1.00 24.42 H new ATOM 0 HG12 VAL A 59 -0.375 1.795 -3.868 1.00 24.42 H new ATOM 0 HG13 VAL A 59 -1.857 2.635 -3.352 1.00 24.42 H new ATOM 0 HG21 VAL A 59 -2.435 0.762 -0.969 1.00 71.10 H new ATOM 0 HG22 VAL A 59 -3.674 1.281 -2.136 1.00 71.10 H new ATOM 0 HG23 VAL A 59 -3.391 -0.452 -1.850 1.00 71.10 H new ATOM 974 N GLU A 60 -2.640 -2.234 -4.200 1.00 2.51 N ATOM 975 CA GLU A 60 -3.289 -3.534 -4.068 1.00 12.50 C ATOM 976 C GLU A 60 -2.283 -4.606 -3.660 1.00 43.43 C ATOM 977 O GLU A 60 -1.102 -4.528 -4.004 1.00 34.40 O ATOM 978 CB GLU A 60 -3.965 -3.927 -5.383 1.00 41.20 C ATOM 979 CG GLU A 60 -4.957 -5.068 -5.240 1.00 34.43 C ATOM 980 CD GLU A 60 -6.371 -4.661 -5.604 1.00 71.22 C ATOM 981 OE1 GLU A 60 -7.313 -5.103 -4.913 1.00 10.54 O ATOM 982 OE2 GLU A 60 -6.538 -3.900 -6.580 1.00 1.30 O ATOM 0 H GLU A 60 -1.623 -2.275 -4.259 1.00 2.51 H new ATOM 0 HA GLU A 60 -4.046 -3.456 -3.288 1.00 12.50 H new ATOM 0 HB2 GLU A 60 -4.481 -3.057 -5.791 1.00 41.20 H new ATOM 0 HB3 GLU A 60 -3.199 -4.211 -6.105 1.00 41.20 H new ATOM 0 HG2 GLU A 60 -4.646 -5.896 -5.877 1.00 34.43 H new ATOM 0 HG3 GLU A 60 -4.941 -5.432 -4.213 1.00 34.43 H new ATOM 990 N ARG A 61 -2.757 -5.607 -2.926 1.00 73.02 N ATOM 991 CA ARG A 61 -1.900 -6.694 -2.469 1.00 40.14 C ATOM 992 C ARG A 61 -1.358 -7.492 -3.651 1.00 63.23 C ATOM 993 O ARG A 61 -2.089 -7.799 -4.594 1.00 12.45 O ATOM 994 CB ARG A 61 -2.671 -7.619 -1.527 1.00 73.53 C ATOM 995 CG ARG A 61 -3.739 -8.446 -2.224 1.00 10.51 C ATOM 996 CD ARG A 61 -4.861 -8.825 -1.270 1.00 73.54 C ATOM 997 NE ARG A 61 -6.003 -7.921 -1.382 1.00 43.05 N ATOM 998 CZ ARG A 61 -7.239 -8.249 -1.023 1.00 0.40 C ATOM 999 NH1 ARG A 61 -7.491 -9.454 -0.532 1.00 75.02 N ATOM 1000 NH2 ARG A 61 -8.225 -7.371 -1.156 1.00 51.11 N ATOM 0 H ARG A 61 -3.731 -5.688 -2.635 1.00 73.02 H new ATOM 0 HA ARG A 61 -1.059 -6.258 -1.930 1.00 40.14 H new ATOM 0 HB2 ARG A 61 -1.967 -8.290 -1.035 1.00 73.53 H new ATOM 0 HB3 ARG A 61 -3.140 -7.020 -0.746 1.00 73.53 H new ATOM 0 HG2 ARG A 61 -4.148 -7.882 -3.062 1.00 10.51 H new ATOM 0 HG3 ARG A 61 -3.290 -9.349 -2.636 1.00 10.51 H new ATOM 0 HD2 ARG A 61 -5.184 -9.845 -1.478 1.00 73.54 H new ATOM 0 HD3 ARG A 61 -4.487 -8.811 -0.246 1.00 73.54 H new ATOM 0 HE ARG A 61 -5.842 -6.986 -1.757 1.00 43.05 H new ATOM 0 HH11 ARG A 61 -6.735 -10.131 -0.429 1.00 75.02 H new ATOM 0 HH12 ARG A 61 -8.441 -9.704 -0.257 1.00 75.02 H new ATOM 0 HH21 ARG A 61 -8.034 -6.443 -1.534 1.00 51.11 H new ATOM 0 HH22 ARG A 61 -9.174 -7.624 -0.880 1.00 51.11 H new ATOM 1014 N LYS A 62 -0.072 -7.822 -3.596 1.00 31.55 N ATOM 1015 CA LYS A 62 0.569 -8.585 -4.661 1.00 33.11 C ATOM 1016 C LYS A 62 -0.095 -9.949 -4.829 1.00 10.22 C ATOM 1017 O LYS A 62 -0.830 -10.177 -5.788 1.00 12.24 O ATOM 1018 CB LYS A 62 2.058 -8.764 -4.362 1.00 43.22 C ATOM 1019 CG LYS A 62 2.828 -9.432 -5.488 1.00 11.30 C ATOM 1020 CD LYS A 62 4.164 -9.975 -5.005 1.00 24.41 C ATOM 1021 CE LYS A 62 4.255 -11.482 -5.196 1.00 71.43 C ATOM 1022 NZ LYS A 62 3.626 -12.222 -4.068 1.00 31.14 N ATOM 0 H LYS A 62 0.547 -7.573 -2.825 1.00 31.55 H new ATOM 0 HA LYS A 62 0.456 -8.029 -5.592 1.00 33.11 H new ATOM 0 HB2 LYS A 62 2.499 -7.788 -4.160 1.00 43.22 H new ATOM 0 HB3 LYS A 62 2.169 -9.358 -3.455 1.00 43.22 H new ATOM 0 HG2 LYS A 62 2.233 -10.245 -5.905 1.00 11.30 H new ATOM 0 HG3 LYS A 62 2.995 -8.715 -6.292 1.00 11.30 H new ATOM 0 HD2 LYS A 62 4.974 -9.489 -5.549 1.00 24.41 H new ATOM 0 HD3 LYS A 62 4.297 -9.732 -3.951 1.00 24.41 H new ATOM 0 HE2 LYS A 62 3.767 -11.760 -6.130 1.00 71.43 H new ATOM 0 HE3 LYS A 62 5.301 -11.775 -5.284 1.00 71.43 H new ATOM 0 HZ1 LYS A 62 3.708 -13.245 -4.235 1.00 31.14 H new ATOM 0 HZ2 LYS A 62 4.108 -11.976 -3.180 1.00 31.14 H new ATOM 0 HZ3 LYS A 62 2.621 -11.962 -4.000 1.00 31.14 H new ATOM 1036 N ASN A 63 0.171 -10.850 -3.888 1.00 3.15 N ATOM 1037 CA ASN A 63 -0.402 -12.191 -3.932 1.00 1.03 C ATOM 1038 C ASN A 63 -0.509 -12.691 -5.370 1.00 74.34 C ATOM 1039 O ASN A 63 -1.490 -13.333 -5.743 1.00 71.02 O ATOM 1040 CB ASN A 63 -1.783 -12.201 -3.272 1.00 42.43 C ATOM 1041 CG ASN A 63 -1.865 -13.182 -2.120 1.00 25.04 C ATOM 1042 OD1 ASN A 63 -2.109 -14.373 -2.320 1.00 52.31 O ATOM 1043 ND2 ASN A 63 -1.663 -12.687 -0.905 1.00 23.03 N ATOM 0 H ASN A 63 0.778 -10.676 -3.087 1.00 3.15 H new ATOM 0 HA ASN A 63 0.260 -12.860 -3.382 1.00 1.03 H new ATOM 0 HB2 ASN A 63 -2.017 -11.200 -2.911 1.00 42.43 H new ATOM 0 HB3 ASN A 63 -2.537 -12.455 -4.017 1.00 42.43 H new ATOM 0 HD21 ASN A 63 -1.707 -13.300 -0.091 1.00 23.03 H new ATOM 0 HD22 ASN A 63 -1.464 -11.694 -0.786 1.00 23.03 H new ATOM 1050 N SER A 64 0.507 -12.390 -6.172 1.00 71.03 N ATOM 1051 CA SER A 64 0.526 -12.804 -7.570 1.00 60.43 C ATOM 1052 C SER A 64 1.033 -14.236 -7.705 1.00 2.51 C ATOM 1053 O SER A 64 2.162 -14.545 -7.324 1.00 42.04 O ATOM 1054 CB SER A 64 1.405 -11.860 -8.393 1.00 1.22 C ATOM 1055 OG SER A 64 2.773 -12.212 -8.282 1.00 43.51 O ATOM 0 H SER A 64 1.328 -11.861 -5.878 1.00 71.03 H new ATOM 0 HA SER A 64 -0.495 -12.761 -7.950 1.00 60.43 H new ATOM 0 HB2 SER A 64 1.101 -11.894 -9.439 1.00 1.22 H new ATOM 0 HB3 SER A 64 1.261 -10.835 -8.053 1.00 1.22 H new ATOM 0 HG SER A 64 2.878 -12.905 -7.597 1.00 43.51 H new ATOM 1061 N ALA A 65 0.190 -15.107 -8.250 1.00 2.24 N ATOM 1062 CA ALA A 65 0.553 -16.507 -8.437 1.00 42.32 C ATOM 1063 C ALA A 65 1.010 -16.769 -9.868 1.00 3.12 C ATOM 1064 O ALA A 65 0.703 -17.811 -10.446 1.00 4.11 O ATOM 1065 CB ALA A 65 -0.620 -17.408 -8.082 1.00 64.55 C ATOM 0 H ALA A 65 -0.749 -14.868 -8.570 1.00 2.24 H new ATOM 0 HA ALA A 65 1.385 -16.733 -7.771 1.00 42.32 H new ATOM 0 HB1 ALA A 65 -0.335 -18.450 -8.226 1.00 64.55 H new ATOM 0 HB2 ALA A 65 -0.899 -17.249 -7.040 1.00 64.55 H new ATOM 0 HB3 ALA A 65 -1.468 -17.172 -8.725 1.00 64.55 H new ATOM 1071 N ARG A 66 1.744 -15.817 -10.433 1.00 42.45 N ATOM 1072 CA ARG A 66 2.242 -15.943 -11.798 1.00 23.34 C ATOM 1073 C ARG A 66 3.767 -15.980 -11.820 1.00 12.05 C ATOM 1074 O ARG A 66 4.426 -15.179 -11.157 1.00 23.43 O ATOM 1075 CB ARG A 66 1.736 -14.784 -12.658 1.00 54.22 C ATOM 1076 CG ARG A 66 0.552 -15.149 -13.538 1.00 5.24 C ATOM 1077 CD ARG A 66 -0.013 -13.928 -14.246 1.00 32.42 C ATOM 1078 NE ARG A 66 -1.441 -13.759 -13.989 1.00 52.22 N ATOM 1079 CZ ARG A 66 -2.350 -14.691 -14.253 1.00 34.40 C ATOM 1080 NH1 ARG A 66 -1.982 -15.851 -14.778 1.00 33.25 N ATOM 1081 NH2 ARG A 66 -3.631 -14.463 -13.992 1.00 34.11 N ATOM 0 H ARG A 66 2.008 -14.949 -9.967 1.00 42.45 H new ATOM 0 HA ARG A 66 1.868 -16.881 -12.209 1.00 23.34 H new ATOM 0 HB2 ARG A 66 1.453 -13.957 -12.007 1.00 54.22 H new ATOM 0 HB3 ARG A 66 2.551 -14.428 -13.289 1.00 54.22 H new ATOM 0 HG2 ARG A 66 0.861 -15.889 -14.277 1.00 5.24 H new ATOM 0 HG3 ARG A 66 -0.226 -15.611 -12.930 1.00 5.24 H new ATOM 0 HD2 ARG A 66 0.523 -13.038 -13.917 1.00 32.42 H new ATOM 0 HD3 ARG A 66 0.154 -14.022 -15.319 1.00 32.42 H new ATOM 0 HE ARG A 66 -1.757 -12.878 -13.585 1.00 52.22 H new ATOM 0 HH11 ARG A 66 -0.998 -16.030 -14.980 1.00 33.25 H new ATOM 0 HH12 ARG A 66 -2.682 -16.565 -14.980 1.00 33.25 H new ATOM 0 HH21 ARG A 66 -3.918 -13.571 -13.588 1.00 34.11 H new ATOM 0 HH22 ARG A 66 -4.328 -15.179 -14.195 1.00 34.11 H new ATOM 1095 N ALA A 67 4.321 -16.915 -12.585 1.00 20.14 N ATOM 1096 CA ALA A 67 5.767 -17.056 -12.693 1.00 53.25 C ATOM 1097 C ALA A 67 6.345 -16.037 -13.669 1.00 4.31 C ATOM 1098 O ALA A 67 7.465 -15.560 -13.493 1.00 11.30 O ATOM 1099 CB ALA A 67 6.130 -18.469 -13.126 1.00 14.11 C ATOM 0 H ALA A 67 3.789 -17.586 -13.139 1.00 20.14 H new ATOM 0 HA ALA A 67 6.200 -16.867 -11.711 1.00 53.25 H new ATOM 0 HB1 ALA A 67 7.214 -18.559 -13.202 1.00 14.11 H new ATOM 0 HB2 ALA A 67 5.758 -19.182 -12.390 1.00 14.11 H new ATOM 0 HB3 ALA A 67 5.679 -18.679 -14.096 1.00 14.11 H new ATOM 1105 N ALA A 68 5.574 -15.709 -14.701 1.00 24.01 N ATOM 1106 CA ALA A 68 6.010 -14.746 -15.705 1.00 13.25 C ATOM 1107 C ALA A 68 5.874 -13.317 -15.190 1.00 62.31 C ATOM 1108 O ALA A 68 6.851 -12.572 -15.135 1.00 60.24 O ATOM 1109 CB ALA A 68 5.213 -14.925 -16.988 1.00 60.21 C ATOM 0 H ALA A 68 4.644 -16.096 -14.864 1.00 24.01 H new ATOM 0 HA ALA A 68 7.064 -14.929 -15.916 1.00 13.25 H new ATOM 0 HB1 ALA A 68 5.549 -14.200 -17.729 1.00 60.21 H new ATOM 0 HB2 ALA A 68 5.365 -15.934 -17.373 1.00 60.21 H new ATOM 0 HB3 ALA A 68 4.154 -14.770 -16.783 1.00 60.21 H new ATOM 1115 N ALA A 69 4.656 -12.941 -14.815 1.00 25.44 N ATOM 1116 CA ALA A 69 4.392 -11.602 -14.304 1.00 2.32 C ATOM 1117 C ALA A 69 5.381 -11.231 -13.203 1.00 62.01 C ATOM 1118 O ALA A 69 5.303 -11.743 -12.088 1.00 73.13 O ATOM 1119 CB ALA A 69 2.964 -11.505 -13.788 1.00 13.30 C ATOM 0 H ALA A 69 3.836 -13.546 -14.856 1.00 25.44 H new ATOM 0 HA ALA A 69 4.518 -10.895 -15.124 1.00 2.32 H new ATOM 0 HB1 ALA A 69 2.781 -10.499 -13.409 1.00 13.30 H new ATOM 0 HB2 ALA A 69 2.269 -11.719 -14.600 1.00 13.30 H new ATOM 0 HB3 ALA A 69 2.818 -12.227 -12.985 1.00 13.30 H new ATOM 1125 N ASN A 70 6.309 -10.336 -13.527 1.00 15.51 N ATOM 1126 CA ASN A 70 7.314 -9.897 -12.565 1.00 44.12 C ATOM 1127 C ASN A 70 7.885 -8.537 -12.957 1.00 22.42 C ATOM 1128 O ASN A 70 8.208 -8.301 -14.120 1.00 45.33 O ATOM 1129 CB ASN A 70 8.442 -10.927 -12.468 1.00 40.00 C ATOM 1130 CG ASN A 70 9.269 -10.999 -13.738 1.00 2.35 C ATOM 1131 OD1 ASN A 70 8.807 -10.622 -14.815 1.00 10.30 O ATOM 1132 ND2 ASN A 70 10.498 -11.487 -13.616 1.00 70.20 N ATOM 0 H ASN A 70 6.386 -9.901 -14.446 1.00 15.51 H new ATOM 0 HA ASN A 70 6.832 -9.803 -11.592 1.00 44.12 H new ATOM 0 HB2 ASN A 70 9.090 -10.674 -11.629 1.00 40.00 H new ATOM 0 HB3 ASN A 70 8.017 -11.909 -12.258 1.00 40.00 H new ATOM 0 HD21 ASN A 70 11.101 -11.561 -14.435 1.00 70.20 H new ATOM 0 HD22 ASN A 70 10.839 -11.787 -12.703 1.00 70.20 H new ATOM 1139 N SER A 71 8.005 -7.647 -11.977 1.00 11.33 N ATOM 1140 CA SER A 71 8.533 -6.310 -12.219 1.00 31.22 C ATOM 1141 C SER A 71 8.105 -5.798 -13.591 1.00 63.32 C ATOM 1142 O SER A 71 8.793 -6.013 -14.589 1.00 31.10 O ATOM 1143 CB SER A 71 10.060 -6.316 -12.117 1.00 61.55 C ATOM 1144 OG SER A 71 10.628 -7.241 -13.028 1.00 31.42 O ATOM 0 H SER A 71 7.744 -7.828 -11.008 1.00 11.33 H new ATOM 0 HA SER A 71 8.128 -5.642 -11.459 1.00 31.22 H new ATOM 0 HB2 SER A 71 10.445 -5.317 -12.321 1.00 61.55 H new ATOM 0 HB3 SER A 71 10.359 -6.572 -11.100 1.00 61.55 H new ATOM 0 HG SER A 71 10.102 -7.251 -13.855 1.00 31.42 H new ATOM 1150 N SER A 72 6.963 -5.118 -13.632 1.00 44.53 N ATOM 1151 CA SER A 72 6.440 -4.577 -14.881 1.00 2.24 C ATOM 1152 C SER A 72 7.575 -4.120 -15.793 1.00 73.41 C ATOM 1153 O SER A 72 8.621 -3.675 -15.322 1.00 33.00 O ATOM 1154 CB SER A 72 5.493 -3.409 -14.599 1.00 41.51 C ATOM 1155 OG SER A 72 4.924 -2.913 -15.799 1.00 13.40 O ATOM 0 H SER A 72 6.383 -4.929 -12.815 1.00 44.53 H new ATOM 0 HA SER A 72 5.887 -5.368 -15.388 1.00 2.24 H new ATOM 0 HB2 SER A 72 4.701 -3.734 -13.924 1.00 41.51 H new ATOM 0 HB3 SER A 72 6.036 -2.611 -14.093 1.00 41.51 H new ATOM 0 HG SER A 72 4.322 -2.168 -15.592 1.00 13.40 H new TER 1161 SER A 72