USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 854 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 109 THR OG1 : rot -54:sc= 0.982 USER MOD Set 1.2: A 110 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 21 MET CE :methyl -137:sc= -1.43 (180deg=-1.8) USER MOD Set 2.2: A 78 LYS NZ :NH3+ -163:sc= 1.18 (180deg=1.05) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.245 X(o=0.25,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 160:sc= -0.107 (180deg=-0.51) USER MOD Single : A 33 LYS NZ :NH3+ -103:sc= 0.233 (180deg=-0.368!) USER MOD Single : A 40 LYS NZ :NH3+ 170:sc= 0.891 (180deg=0.693) USER MOD Single : A 41 MET CE :methyl -177:sc= -0.633 (180deg=-0.659) USER MOD Single : A 44 LYS NZ :NH3+ -167:sc= -0.0421 (180deg=-0.233) USER MOD Single : A 46 ASN : amide:sc= -0.261 K(o=-0.26,f=-1.1) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0427 USER MOD Single : A 59 LYS NZ :NH3+ -168:sc= -0.0304 (180deg=-0.291) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -158:sc= 1.33 (180deg=1.24) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -166:sc= 2.33 (180deg=1.76) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -134:sc= -0.0598 (180deg=-0.309) USER MOD Single : A 88 SER OG : rot 180:sc= 0.105 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 172:sc=-0.00186 (180deg=-0.0601) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0.867 K(o=0.87,f=-1.4!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 111:sc= 1.24 USER MOD Single : A 115 LYS NZ :NH3+ -178:sc= 1.29 (180deg=1.16) USER MOD Single : A 119 LYS NZ :NH3+ 167:sc= -0.0206 (180deg=-0.179) USER MOD Single : A 122 SER OG : rot -140:sc= -0.832 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 -7.844 -13.701 3.393 1.00 0.86 N ATOM 2 CA MET A 21 -7.580 -12.250 3.279 1.00 0.65 C ATOM 3 C MET A 21 -6.364 -12.015 2.400 1.00 0.55 C ATOM 4 O MET A 21 -5.335 -12.666 2.568 1.00 0.75 O ATOM 5 CB MET A 21 -7.343 -11.655 4.667 1.00 0.73 C ATOM 6 CG MET A 21 -7.087 -10.157 4.666 1.00 1.04 C ATOM 7 SD MET A 21 -6.597 -9.546 6.290 1.00 1.93 S ATOM 8 CE MET A 21 -7.973 -10.118 7.286 1.00 2.17 C ATOM 0 HA MET A 21 -8.445 -11.764 2.827 1.00 0.65 H new ATOM 0 HB2 MET A 21 -8.211 -11.864 5.293 1.00 0.73 H new ATOM 0 HB3 MET A 21 -6.491 -12.158 5.125 1.00 0.73 H new ATOM 0 HG2 MET A 21 -6.306 -9.925 3.942 1.00 1.04 H new ATOM 0 HG3 MET A 21 -7.988 -9.637 4.341 1.00 1.04 H new ATOM 0 HE1 MET A 21 -8.276 -9.330 7.975 1.00 2.17 H new ATOM 0 HE2 MET A 21 -8.810 -10.374 6.637 1.00 2.17 H new ATOM 0 HE3 MET A 21 -7.671 -10.999 7.853 1.00 2.17 H new ATOM 17 N THR A 22 -6.488 -11.099 1.457 1.00 0.43 N ATOM 18 CA THR A 22 -5.401 -10.778 0.557 1.00 0.41 C ATOM 19 C THR A 22 -4.767 -9.449 0.957 1.00 0.35 C ATOM 20 O THR A 22 -5.473 -8.473 1.220 1.00 0.38 O ATOM 21 CB THR A 22 -5.907 -10.699 -0.896 1.00 0.52 C ATOM 22 OG1 THR A 22 -6.681 -11.870 -1.209 1.00 0.82 O ATOM 23 CG2 THR A 22 -4.747 -10.587 -1.873 1.00 0.63 C ATOM 0 H THR A 22 -7.340 -10.561 1.296 1.00 0.43 H new ATOM 0 HA THR A 22 -4.653 -11.568 0.624 1.00 0.41 H new ATOM 0 HB THR A 22 -6.529 -9.809 -0.989 1.00 0.52 H new ATOM 0 HG1 THR A 22 -7.001 -11.813 -2.133 1.00 0.82 H new ATOM 0 HG21 THR A 22 -5.133 -10.533 -2.891 1.00 0.63 H new ATOM 0 HG22 THR A 22 -4.173 -9.687 -1.654 1.00 0.63 H new ATOM 0 HG23 THR A 22 -4.103 -11.461 -1.775 1.00 0.63 H new ATOM 31 N LEU A 23 -3.443 -9.418 1.030 1.00 0.32 N ATOM 32 CA LEU A 23 -2.735 -8.206 1.408 1.00 0.29 C ATOM 33 C LEU A 23 -2.195 -7.487 0.176 1.00 0.26 C ATOM 34 O LEU A 23 -1.453 -8.064 -0.625 1.00 0.30 O ATOM 35 CB LEU A 23 -1.592 -8.533 2.371 1.00 0.30 C ATOM 36 CG LEU A 23 -2.012 -9.206 3.680 1.00 0.36 C ATOM 37 CD1 LEU A 23 -0.799 -9.454 4.561 1.00 0.39 C ATOM 38 CD2 LEU A 23 -3.040 -8.363 4.418 1.00 0.39 C ATOM 0 H LEU A 23 -2.840 -10.217 0.833 1.00 0.32 H new ATOM 0 HA LEU A 23 -3.440 -7.544 1.911 1.00 0.29 H new ATOM 0 HB2 LEU A 23 -0.882 -9.183 1.859 1.00 0.30 H new ATOM 0 HB3 LEU A 23 -1.064 -7.610 2.609 1.00 0.30 H new ATOM 0 HG LEU A 23 -2.470 -10.165 3.438 1.00 0.36 H new ATOM 0 HD11 LEU A 23 -1.114 -9.933 5.488 1.00 0.39 H new ATOM 0 HD12 LEU A 23 -0.096 -10.103 4.038 1.00 0.39 H new ATOM 0 HD13 LEU A 23 -0.315 -8.504 4.790 1.00 0.39 H new ATOM 0 HD21 LEU A 23 -3.322 -8.862 5.345 1.00 0.39 H new ATOM 0 HD22 LEU A 23 -2.613 -7.387 4.648 1.00 0.39 H new ATOM 0 HD23 LEU A 23 -3.923 -8.235 3.791 1.00 0.39 H new ATOM 50 N PHE A 24 -2.580 -6.229 0.030 1.00 0.25 N ATOM 51 CA PHE A 24 -2.137 -5.412 -1.090 1.00 0.25 C ATOM 52 C PHE A 24 -1.206 -4.315 -0.596 1.00 0.26 C ATOM 53 O PHE A 24 -1.422 -3.744 0.476 1.00 0.30 O ATOM 54 CB PHE A 24 -3.332 -4.779 -1.815 1.00 0.28 C ATOM 55 CG PHE A 24 -4.301 -5.770 -2.397 1.00 0.34 C ATOM 56 CD1 PHE A 24 -5.221 -6.414 -1.587 1.00 1.24 C ATOM 57 CD2 PHE A 24 -4.296 -6.054 -3.755 1.00 1.25 C ATOM 58 CE1 PHE A 24 -6.115 -7.320 -2.117 1.00 1.25 C ATOM 59 CE2 PHE A 24 -5.189 -6.961 -4.289 1.00 1.30 C ATOM 60 CZ PHE A 24 -6.099 -7.596 -3.469 1.00 0.51 C ATOM 0 H PHE A 24 -3.203 -5.748 0.678 1.00 0.25 H new ATOM 0 HA PHE A 24 -1.606 -6.057 -1.790 1.00 0.25 H new ATOM 0 HB2 PHE A 24 -3.866 -4.135 -1.116 1.00 0.28 H new ATOM 0 HB3 PHE A 24 -2.959 -4.141 -2.616 1.00 0.28 H new ATOM 0 HD1 PHE A 24 -5.239 -6.204 -0.528 1.00 1.24 H new ATOM 0 HD2 PHE A 24 -3.586 -5.560 -4.401 1.00 1.25 H new ATOM 0 HE1 PHE A 24 -6.828 -7.814 -1.474 1.00 1.25 H new ATOM 0 HE2 PHE A 24 -5.175 -7.173 -5.348 1.00 1.30 H new ATOM 0 HZ PHE A 24 -6.797 -8.308 -3.884 1.00 0.51 H new ATOM 70 N VAL A 25 -0.173 -4.026 -1.368 1.00 0.29 N ATOM 71 CA VAL A 25 0.754 -2.964 -1.019 1.00 0.31 C ATOM 72 C VAL A 25 0.797 -1.917 -2.120 1.00 0.30 C ATOM 73 O VAL A 25 1.344 -2.147 -3.194 1.00 0.35 O ATOM 74 CB VAL A 25 2.183 -3.488 -0.764 1.00 0.38 C ATOM 75 CG1 VAL A 25 3.105 -2.339 -0.378 1.00 1.08 C ATOM 76 CG2 VAL A 25 2.181 -4.555 0.318 1.00 0.98 C ATOM 0 H VAL A 25 0.045 -4.511 -2.239 1.00 0.29 H new ATOM 0 HA VAL A 25 0.388 -2.521 -0.093 1.00 0.31 H new ATOM 0 HB VAL A 25 2.553 -3.939 -1.685 1.00 0.38 H new ATOM 0 HG11 VAL A 25 4.110 -2.723 -0.201 1.00 1.08 H new ATOM 0 HG12 VAL A 25 3.133 -1.608 -1.186 1.00 1.08 H new ATOM 0 HG13 VAL A 25 2.733 -1.863 0.529 1.00 1.08 H new ATOM 0 HG21 VAL A 25 3.199 -4.910 0.481 1.00 0.98 H new ATOM 0 HG22 VAL A 25 1.791 -4.133 1.244 1.00 0.98 H new ATOM 0 HG23 VAL A 25 1.552 -5.389 0.006 1.00 0.98 H new ATOM 86 N LEU A 26 0.202 -0.779 -1.845 1.00 0.34 N ATOM 87 CA LEU A 26 0.197 0.339 -2.770 1.00 0.35 C ATOM 88 C LEU A 26 1.336 1.277 -2.405 1.00 0.34 C ATOM 89 O LEU A 26 1.615 1.478 -1.223 1.00 0.36 O ATOM 90 CB LEU A 26 -1.143 1.074 -2.695 1.00 0.40 C ATOM 91 CG LEU A 26 -2.292 0.488 -3.532 1.00 0.44 C ATOM 92 CD1 LEU A 26 -2.462 -1.002 -3.289 1.00 1.18 C ATOM 93 CD2 LEU A 26 -3.591 1.206 -3.214 1.00 1.09 C ATOM 0 H LEU A 26 -0.294 -0.599 -0.972 1.00 0.34 H new ATOM 0 HA LEU A 26 0.332 -0.021 -3.790 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -1.460 1.102 -1.652 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -0.985 2.106 -3.008 1.00 0.40 H new ATOM 0 HG LEU A 26 -2.039 0.634 -4.582 1.00 0.44 H new ATOM 0 HD11 LEU A 26 -3.283 -1.379 -3.898 1.00 1.18 H new ATOM 0 HD12 LEU A 26 -1.542 -1.522 -3.558 1.00 1.18 H new ATOM 0 HD13 LEU A 26 -2.682 -1.176 -2.236 1.00 1.18 H new ATOM 0 HD21 LEU A 26 -4.397 0.782 -3.813 1.00 1.09 H new ATOM 0 HD22 LEU A 26 -3.823 1.086 -2.156 1.00 1.09 H new ATOM 0 HD23 LEU A 26 -3.487 2.266 -3.445 1.00 1.09 H new ATOM 105 N ILE A 27 2.004 1.840 -3.395 1.00 0.34 N ATOM 106 CA ILE A 27 3.179 2.647 -3.115 1.00 0.32 C ATOM 107 C ILE A 27 3.366 3.779 -4.122 1.00 0.30 C ATOM 108 O ILE A 27 3.343 3.560 -5.336 1.00 0.36 O ATOM 109 CB ILE A 27 4.444 1.758 -3.071 1.00 0.33 C ATOM 110 CG1 ILE A 27 5.703 2.605 -2.863 1.00 0.33 C ATOM 111 CG2 ILE A 27 4.556 0.926 -4.341 1.00 0.35 C ATOM 112 CD1 ILE A 27 6.954 1.783 -2.645 1.00 0.55 C ATOM 0 H ILE A 27 1.760 1.757 -4.382 1.00 0.34 H new ATOM 0 HA ILE A 27 3.023 3.107 -2.139 1.00 0.32 H new ATOM 0 HB ILE A 27 4.353 1.080 -2.223 1.00 0.33 H new ATOM 0 HG12 ILE A 27 5.847 3.247 -3.732 1.00 0.33 H new ATOM 0 HG13 ILE A 27 5.553 3.259 -2.004 1.00 0.33 H new ATOM 0 HG21 ILE A 27 5.452 0.307 -4.293 1.00 0.35 H new ATOM 0 HG22 ILE A 27 3.678 0.287 -4.436 1.00 0.35 H new ATOM 0 HG23 ILE A 27 4.619 1.588 -5.205 1.00 0.35 H new ATOM 0 HD11 ILE A 27 7.806 2.448 -2.505 1.00 0.55 H new ATOM 0 HD12 ILE A 27 6.830 1.160 -1.759 1.00 0.55 H new ATOM 0 HD13 ILE A 27 7.128 1.148 -3.514 1.00 0.55 H new ATOM 124 N LEU A 28 3.527 4.997 -3.609 1.00 0.30 N ATOM 125 CA LEU A 28 3.901 6.128 -4.446 1.00 0.36 C ATOM 126 C LEU A 28 5.267 6.638 -4.018 1.00 0.38 C ATOM 127 O LEU A 28 5.380 7.598 -3.256 1.00 0.41 O ATOM 128 CB LEU A 28 2.898 7.285 -4.325 1.00 0.46 C ATOM 129 CG LEU A 28 1.490 7.052 -4.878 1.00 0.62 C ATOM 130 CD1 LEU A 28 0.743 6.004 -4.075 1.00 1.24 C ATOM 131 CD2 LEU A 28 0.715 8.358 -4.870 1.00 1.18 C ATOM 0 H LEU A 28 3.404 5.223 -2.622 1.00 0.30 H new ATOM 0 HA LEU A 28 3.913 5.783 -5.480 1.00 0.36 H new ATOM 0 HB2 LEU A 28 2.808 7.545 -3.270 1.00 0.46 H new ATOM 0 HB3 LEU A 28 3.321 8.153 -4.832 1.00 0.46 H new ATOM 0 HG LEU A 28 1.584 6.685 -5.900 1.00 0.62 H new ATOM 0 HD11 LEU A 28 -0.253 5.864 -4.496 1.00 1.24 H new ATOM 0 HD12 LEU A 28 1.288 5.061 -4.112 1.00 1.24 H new ATOM 0 HD13 LEU A 28 0.656 6.333 -3.039 1.00 1.24 H new ATOM 0 HD21 LEU A 28 -0.287 8.189 -5.264 1.00 1.18 H new ATOM 0 HD22 LEU A 28 0.645 8.733 -3.849 1.00 1.18 H new ATOM 0 HD23 LEU A 28 1.230 9.091 -5.491 1.00 1.18 H new ATOM 143 N SER A 29 6.296 5.968 -4.484 1.00 0.44 N ATOM 144 CA SER A 29 7.654 6.440 -4.326 1.00 0.56 C ATOM 145 C SER A 29 8.473 5.967 -5.513 1.00 0.68 C ATOM 146 O SER A 29 9.057 4.883 -5.456 1.00 1.05 O ATOM 147 CB SER A 29 8.250 5.916 -3.012 1.00 0.61 C ATOM 148 OG SER A 29 9.536 6.462 -2.770 1.00 1.27 O ATOM 0 H SER A 29 6.216 5.082 -4.983 1.00 0.44 H new ATOM 0 HA SER A 29 7.666 7.529 -4.287 1.00 0.56 H new ATOM 0 HB2 SER A 29 7.586 6.166 -2.185 1.00 0.61 H new ATOM 0 HB3 SER A 29 8.316 4.829 -3.050 1.00 0.61 H new ATOM 0 HG SER A 29 9.887 6.110 -1.926 1.00 1.27 H new ATOM 154 N ASN A 30 8.527 6.725 -6.597 1.00 0.60 N ATOM 155 CA ASN A 30 9.243 6.215 -7.750 1.00 0.67 C ATOM 156 C ASN A 30 10.721 6.545 -7.653 1.00 0.64 C ATOM 157 O ASN A 30 11.199 7.551 -8.178 1.00 0.68 O ATOM 158 CB ASN A 30 8.654 6.780 -9.047 1.00 0.79 C ATOM 159 CG ASN A 30 7.391 6.056 -9.476 1.00 1.85 C ATOM 160 OD1 ASN A 30 7.446 5.095 -10.245 1.00 2.75 O ATOM 161 ND2 ASN A 30 6.245 6.505 -8.984 1.00 2.45 N ATOM 0 H ASN A 30 8.107 7.648 -6.701 1.00 0.60 H new ATOM 0 HA ASN A 30 9.132 5.131 -7.765 1.00 0.67 H new ATOM 0 HB2 ASN A 30 8.434 7.839 -8.911 1.00 0.79 H new ATOM 0 HB3 ASN A 30 9.397 6.709 -9.841 1.00 0.79 H new ATOM 0 HD21 ASN A 30 5.368 6.052 -9.240 1.00 2.45 H new ATOM 0 HD22 ASN A 30 6.240 7.304 -8.350 1.00 2.45 H new ATOM 168 N ASP A 31 11.426 5.667 -6.960 1.00 0.63 N ATOM 169 CA ASP A 31 12.871 5.570 -7.019 1.00 0.67 C ATOM 170 C ASP A 31 13.223 4.163 -7.480 1.00 0.72 C ATOM 171 O ASP A 31 12.600 3.211 -7.009 1.00 0.81 O ATOM 172 CB ASP A 31 13.492 5.903 -5.658 1.00 0.72 C ATOM 173 CG ASP A 31 14.987 5.667 -5.611 1.00 0.92 C ATOM 174 OD1 ASP A 31 15.739 6.432 -6.245 1.00 1.45 O ATOM 175 OD2 ASP A 31 15.422 4.728 -4.916 1.00 1.57 O ATOM 0 H ASP A 31 10.999 4.989 -6.329 1.00 0.63 H new ATOM 0 HA ASP A 31 13.278 6.293 -7.726 1.00 0.67 H new ATOM 0 HB2 ASP A 31 13.288 6.946 -5.418 1.00 0.72 H new ATOM 0 HB3 ASP A 31 13.011 5.299 -4.889 1.00 0.72 H new ATOM 180 N LYS A 32 14.179 4.002 -8.377 1.00 0.78 N ATOM 181 CA LYS A 32 14.407 2.689 -8.982 1.00 0.82 C ATOM 182 C LYS A 32 14.798 1.647 -7.932 1.00 0.79 C ATOM 183 O LYS A 32 14.136 0.613 -7.797 1.00 0.81 O ATOM 184 CB LYS A 32 15.459 2.760 -10.095 1.00 0.99 C ATOM 185 CG LYS A 32 14.935 3.344 -11.404 1.00 1.10 C ATOM 186 CD LYS A 32 14.800 4.862 -11.364 1.00 1.61 C ATOM 187 CE LYS A 32 16.156 5.555 -11.371 1.00 2.22 C ATOM 188 NZ LYS A 32 16.969 5.178 -12.559 1.00 2.93 N ATOM 0 H LYS A 32 14.801 4.742 -8.702 1.00 0.78 H new ATOM 0 HA LYS A 32 13.465 2.374 -9.430 1.00 0.82 H new ATOM 0 HB2 LYS A 32 16.299 3.363 -9.750 1.00 0.99 H new ATOM 0 HB3 LYS A 32 15.843 1.757 -10.284 1.00 0.99 H new ATOM 0 HG2 LYS A 32 15.607 3.065 -12.215 1.00 1.10 H new ATOM 0 HG3 LYS A 32 13.964 2.904 -11.629 1.00 1.10 H new ATOM 0 HD2 LYS A 32 14.217 5.197 -12.222 1.00 1.61 H new ATOM 0 HD3 LYS A 32 14.248 5.154 -10.470 1.00 1.61 H new ATOM 0 HE2 LYS A 32 16.011 6.635 -11.359 1.00 2.22 H new ATOM 0 HE3 LYS A 32 16.700 5.296 -10.463 1.00 2.22 H new ATOM 0 HZ1 LYS A 32 17.708 5.893 -12.715 1.00 2.93 H new ATOM 0 HZ2 LYS A 32 17.412 4.251 -12.396 1.00 2.93 H new ATOM 0 HZ3 LYS A 32 16.356 5.126 -13.397 1.00 2.93 H new ATOM 202 N LYS A 33 15.851 1.937 -7.178 1.00 0.84 N ATOM 203 CA LYS A 33 16.330 1.029 -6.134 1.00 0.86 C ATOM 204 C LYS A 33 15.299 0.865 -5.013 1.00 0.74 C ATOM 205 O LYS A 33 15.157 -0.220 -4.450 1.00 0.70 O ATOM 206 CB LYS A 33 17.666 1.523 -5.570 1.00 1.02 C ATOM 207 CG LYS A 33 17.767 3.036 -5.508 1.00 1.56 C ATOM 208 CD LYS A 33 19.040 3.505 -4.831 1.00 2.24 C ATOM 209 CE LYS A 33 19.208 5.010 -4.972 1.00 2.94 C ATOM 210 NZ LYS A 33 18.032 5.759 -4.445 1.00 3.44 N ATOM 0 H LYS A 33 16.394 2.796 -7.268 1.00 0.84 H new ATOM 0 HA LYS A 33 16.480 0.049 -6.588 1.00 0.86 H new ATOM 0 HB2 LYS A 33 17.803 1.115 -4.569 1.00 1.02 H new ATOM 0 HB3 LYS A 33 18.478 1.136 -6.186 1.00 1.02 H new ATOM 0 HG2 LYS A 33 17.726 3.441 -6.519 1.00 1.56 H new ATOM 0 HG3 LYS A 33 16.906 3.433 -4.970 1.00 1.56 H new ATOM 0 HD2 LYS A 33 19.016 3.235 -3.775 1.00 2.24 H new ATOM 0 HD3 LYS A 33 19.898 2.997 -5.270 1.00 2.24 H new ATOM 0 HE2 LYS A 33 20.106 5.325 -4.440 1.00 2.94 H new ATOM 0 HE3 LYS A 33 19.355 5.261 -6.022 1.00 2.94 H new ATOM 0 HZ1 LYS A 33 17.446 6.089 -5.239 1.00 3.44 H new ATOM 0 HZ2 LYS A 33 17.468 5.134 -3.834 1.00 3.44 H new ATOM 0 HZ3 LYS A 33 18.360 6.577 -3.894 1.00 3.44 H new ATOM 224 N LEU A 34 14.587 1.945 -4.691 1.00 0.72 N ATOM 225 CA LEU A 34 13.507 1.900 -3.706 1.00 0.64 C ATOM 226 C LEU A 34 12.470 0.852 -4.103 1.00 0.58 C ATOM 227 O LEU A 34 12.144 -0.038 -3.319 1.00 0.62 O ATOM 228 CB LEU A 34 12.855 3.292 -3.594 1.00 0.63 C ATOM 229 CG LEU A 34 11.713 3.466 -2.574 1.00 0.69 C ATOM 230 CD1 LEU A 34 10.386 2.978 -3.134 1.00 1.37 C ATOM 231 CD2 LEU A 34 12.024 2.748 -1.279 1.00 1.46 C ATOM 0 H LEU A 34 14.740 2.866 -5.101 1.00 0.72 H new ATOM 0 HA LEU A 34 13.917 1.621 -2.735 1.00 0.64 H new ATOM 0 HB2 LEU A 34 13.637 4.010 -3.348 1.00 0.63 H new ATOM 0 HB3 LEU A 34 12.471 3.563 -4.577 1.00 0.63 H new ATOM 0 HG LEU A 34 11.626 4.533 -2.369 1.00 0.69 H new ATOM 0 HD11 LEU A 34 9.603 3.116 -2.388 1.00 1.37 H new ATOM 0 HD12 LEU A 34 10.138 3.547 -4.030 1.00 1.37 H new ATOM 0 HD13 LEU A 34 10.464 1.921 -3.386 1.00 1.37 H new ATOM 0 HD21 LEU A 34 11.201 2.888 -0.578 1.00 1.46 H new ATOM 0 HD22 LEU A 34 12.156 1.684 -1.476 1.00 1.46 H new ATOM 0 HD23 LEU A 34 12.940 3.154 -0.849 1.00 1.46 H new ATOM 243 N ILE A 35 11.966 0.964 -5.327 1.00 0.54 N ATOM 244 CA ILE A 35 10.939 0.056 -5.822 1.00 0.52 C ATOM 245 C ILE A 35 11.455 -1.379 -5.848 1.00 0.55 C ATOM 246 O ILE A 35 10.718 -2.323 -5.556 1.00 0.58 O ATOM 247 CB ILE A 35 10.450 0.480 -7.226 1.00 0.56 C ATOM 248 CG1 ILE A 35 9.694 1.811 -7.135 1.00 0.57 C ATOM 249 CG2 ILE A 35 9.572 -0.596 -7.848 1.00 0.61 C ATOM 250 CD1 ILE A 35 9.190 2.323 -8.467 1.00 0.69 C ATOM 0 H ILE A 35 12.254 1.678 -5.997 1.00 0.54 H new ATOM 0 HA ILE A 35 10.091 0.107 -5.139 1.00 0.52 H new ATOM 0 HB ILE A 35 11.319 0.611 -7.870 1.00 0.56 H new ATOM 0 HG12 ILE A 35 8.847 1.691 -6.459 1.00 0.57 H new ATOM 0 HG13 ILE A 35 10.350 2.561 -6.694 1.00 0.57 H new ATOM 0 HG21 ILE A 35 9.242 -0.271 -8.835 1.00 0.61 H new ATOM 0 HG22 ILE A 35 10.141 -1.521 -7.942 1.00 0.61 H new ATOM 0 HG23 ILE A 35 8.703 -0.768 -7.213 1.00 0.61 H new ATOM 0 HD11 ILE A 35 8.666 3.268 -8.319 1.00 0.69 H new ATOM 0 HD12 ILE A 35 10.033 2.477 -9.140 1.00 0.69 H new ATOM 0 HD13 ILE A 35 8.507 1.594 -8.902 1.00 0.69 H new ATOM 262 N GLU A 36 12.728 -1.535 -6.184 1.00 0.59 N ATOM 263 CA GLU A 36 13.369 -2.838 -6.149 1.00 0.66 C ATOM 264 C GLU A 36 13.316 -3.432 -4.747 1.00 0.62 C ATOM 265 O GLU A 36 12.704 -4.478 -4.534 1.00 0.62 O ATOM 266 CB GLU A 36 14.815 -2.732 -6.629 1.00 0.79 C ATOM 267 CG GLU A 36 14.971 -2.960 -8.121 1.00 0.76 C ATOM 268 CD GLU A 36 14.673 -4.393 -8.509 1.00 1.34 C ATOM 269 OE1 GLU A 36 13.501 -4.709 -8.805 1.00 2.15 O ATOM 270 OE2 GLU A 36 15.612 -5.218 -8.508 1.00 1.87 O ATOM 0 H GLU A 36 13.336 -0.773 -6.484 1.00 0.59 H new ATOM 0 HA GLU A 36 12.826 -3.503 -6.820 1.00 0.66 H new ATOM 0 HB2 GLU A 36 15.203 -1.745 -6.377 1.00 0.79 H new ATOM 0 HB3 GLU A 36 15.423 -3.460 -6.092 1.00 0.79 H new ATOM 0 HG2 GLU A 36 14.302 -2.291 -8.662 1.00 0.76 H new ATOM 0 HG3 GLU A 36 15.987 -2.706 -8.422 1.00 0.76 H new ATOM 277 N GLU A 37 13.932 -2.746 -3.793 1.00 0.62 N ATOM 278 CA GLU A 37 14.006 -3.230 -2.420 1.00 0.65 C ATOM 279 C GLU A 37 12.620 -3.458 -1.818 1.00 0.56 C ATOM 280 O GLU A 37 12.390 -4.457 -1.133 1.00 0.57 O ATOM 281 CB GLU A 37 14.796 -2.250 -1.555 1.00 0.73 C ATOM 282 CG GLU A 37 16.298 -2.313 -1.774 1.00 0.85 C ATOM 283 CD GLU A 37 16.870 -3.677 -1.444 1.00 1.30 C ATOM 284 OE1 GLU A 37 17.312 -4.383 -2.371 1.00 2.05 O ATOM 285 OE2 GLU A 37 16.869 -4.056 -0.252 1.00 1.84 O ATOM 0 H GLU A 37 14.390 -1.848 -3.946 1.00 0.62 H new ATOM 0 HA GLU A 37 14.520 -4.191 -2.441 1.00 0.65 H new ATOM 0 HB2 GLU A 37 14.450 -1.237 -1.761 1.00 0.73 H new ATOM 0 HB3 GLU A 37 14.582 -2.452 -0.505 1.00 0.73 H new ATOM 0 HG2 GLU A 37 16.522 -2.069 -2.812 1.00 0.85 H new ATOM 0 HG3 GLU A 37 16.785 -1.558 -1.157 1.00 0.85 H new ATOM 292 N ALA A 38 11.701 -2.536 -2.078 1.00 0.51 N ATOM 293 CA ALA A 38 10.346 -2.638 -1.551 1.00 0.46 C ATOM 294 C ALA A 38 9.634 -3.867 -2.102 1.00 0.42 C ATOM 295 O ALA A 38 8.994 -4.614 -1.356 1.00 0.43 O ATOM 296 CB ALA A 38 9.555 -1.377 -1.870 1.00 0.50 C ATOM 0 H ALA A 38 11.870 -1.709 -2.651 1.00 0.51 H new ATOM 0 HA ALA A 38 10.412 -2.744 -0.468 1.00 0.46 H new ATOM 0 HB1 ALA A 38 8.545 -1.470 -1.469 1.00 0.50 H new ATOM 0 HB2 ALA A 38 10.047 -0.515 -1.419 1.00 0.50 H new ATOM 0 HB3 ALA A 38 9.506 -1.242 -2.950 1.00 0.50 H new ATOM 302 N ARG A 39 9.757 -4.093 -3.407 1.00 0.43 N ATOM 303 CA ARG A 39 9.105 -5.232 -4.031 1.00 0.45 C ATOM 304 C ARG A 39 9.753 -6.534 -3.593 1.00 0.45 C ATOM 305 O ARG A 39 9.057 -7.504 -3.349 1.00 0.49 O ATOM 306 CB ARG A 39 9.107 -5.119 -5.557 1.00 0.53 C ATOM 307 CG ARG A 39 8.521 -6.341 -6.259 1.00 0.60 C ATOM 308 CD ARG A 39 8.226 -6.053 -7.721 1.00 0.77 C ATOM 309 NE ARG A 39 7.717 -7.227 -8.426 1.00 1.46 N ATOM 310 CZ ARG A 39 6.940 -7.170 -9.506 1.00 1.90 C ATOM 311 NH1 ARG A 39 6.544 -5.997 -9.988 1.00 1.82 N ATOM 312 NH2 ARG A 39 6.552 -8.290 -10.100 1.00 2.96 N ATOM 0 H ARG A 39 10.297 -3.507 -4.044 1.00 0.43 H new ATOM 0 HA ARG A 39 8.067 -5.232 -3.700 1.00 0.45 H new ATOM 0 HB2 ARG A 39 8.539 -4.235 -5.849 1.00 0.53 H new ATOM 0 HB3 ARG A 39 10.130 -4.968 -5.901 1.00 0.53 H new ATOM 0 HG2 ARG A 39 9.219 -7.175 -6.185 1.00 0.60 H new ATOM 0 HG3 ARG A 39 7.604 -6.647 -5.755 1.00 0.60 H new ATOM 0 HD2 ARG A 39 7.497 -5.246 -7.790 1.00 0.77 H new ATOM 0 HD3 ARG A 39 9.135 -5.704 -8.211 1.00 0.77 H new ATOM 0 HE ARG A 39 7.973 -8.148 -8.069 1.00 1.46 H new ATOM 0 HH11 ARG A 39 6.835 -5.133 -9.530 1.00 1.82 H new ATOM 0 HH12 ARG A 39 5.949 -5.960 -10.816 1.00 1.82 H new ATOM 0 HH21 ARG A 39 6.849 -9.193 -9.730 1.00 2.96 H new ATOM 0 HH22 ARG A 39 5.957 -8.249 -10.927 1.00 2.96 H new ATOM 326 N LYS A 40 11.075 -6.552 -3.464 1.00 0.49 N ATOM 327 CA LYS A 40 11.775 -7.765 -3.038 1.00 0.55 C ATOM 328 C LYS A 40 11.234 -8.263 -1.699 1.00 0.49 C ATOM 329 O LYS A 40 11.210 -9.464 -1.434 1.00 0.54 O ATOM 330 CB LYS A 40 13.283 -7.521 -2.934 1.00 0.70 C ATOM 331 CG LYS A 40 13.933 -7.164 -4.259 1.00 0.85 C ATOM 332 CD LYS A 40 15.435 -6.984 -4.119 1.00 1.27 C ATOM 333 CE LYS A 40 16.034 -6.348 -5.363 1.00 1.34 C ATOM 334 NZ LYS A 40 15.725 -7.119 -6.598 1.00 1.88 N ATOM 0 H LYS A 40 11.681 -5.752 -3.645 1.00 0.49 H new ATOM 0 HA LYS A 40 11.599 -8.531 -3.794 1.00 0.55 H new ATOM 0 HB2 LYS A 40 13.464 -6.716 -2.221 1.00 0.70 H new ATOM 0 HB3 LYS A 40 13.761 -8.415 -2.534 1.00 0.70 H new ATOM 0 HG2 LYS A 40 13.727 -7.948 -4.988 1.00 0.85 H new ATOM 0 HG3 LYS A 40 13.491 -6.245 -4.645 1.00 0.85 H new ATOM 0 HD2 LYS A 40 15.649 -6.361 -3.251 1.00 1.27 H new ATOM 0 HD3 LYS A 40 15.904 -7.952 -3.941 1.00 1.27 H new ATOM 0 HE2 LYS A 40 15.654 -5.332 -5.467 1.00 1.34 H new ATOM 0 HE3 LYS A 40 17.115 -6.273 -5.245 1.00 1.34 H new ATOM 0 HZ1 LYS A 40 16.005 -6.565 -7.432 1.00 1.88 H new ATOM 0 HZ2 LYS A 40 16.249 -8.017 -6.587 1.00 1.88 H new ATOM 0 HZ3 LYS A 40 14.704 -7.315 -6.639 1.00 1.88 H new ATOM 348 N MET A 41 10.787 -7.333 -0.865 1.00 0.45 N ATOM 349 CA MET A 41 10.205 -7.667 0.417 1.00 0.46 C ATOM 350 C MET A 41 8.783 -8.212 0.255 1.00 0.41 C ATOM 351 O MET A 41 8.488 -9.325 0.684 1.00 0.46 O ATOM 352 CB MET A 41 10.210 -6.418 1.294 1.00 0.57 C ATOM 353 CG MET A 41 9.516 -6.589 2.627 1.00 0.89 C ATOM 354 SD MET A 41 10.311 -7.809 3.699 1.00 1.10 S ATOM 355 CE MET A 41 11.877 -7.007 4.034 1.00 1.68 C ATOM 0 H MET A 41 10.820 -6.333 -1.062 1.00 0.45 H new ATOM 0 HA MET A 41 10.797 -8.451 0.889 1.00 0.46 H new ATOM 0 HB2 MET A 41 11.243 -6.117 1.471 1.00 0.57 H new ATOM 0 HB3 MET A 41 9.730 -5.605 0.750 1.00 0.57 H new ATOM 0 HG2 MET A 41 9.489 -5.628 3.140 1.00 0.89 H new ATOM 0 HG3 MET A 41 8.482 -6.887 2.454 1.00 0.89 H new ATOM 0 HE1 MET A 41 12.500 -7.664 4.641 1.00 1.68 H new ATOM 0 HE2 MET A 41 12.385 -6.793 3.093 1.00 1.68 H new ATOM 0 HE3 MET A 41 11.701 -6.075 4.572 1.00 1.68 H new ATOM 365 N ALA A 42 7.914 -7.434 -0.390 1.00 0.37 N ATOM 366 CA ALA A 42 6.496 -7.787 -0.520 1.00 0.39 C ATOM 367 C ALA A 42 6.275 -8.953 -1.479 1.00 0.42 C ATOM 368 O ALA A 42 5.430 -9.812 -1.233 1.00 0.49 O ATOM 369 CB ALA A 42 5.699 -6.585 -0.987 1.00 0.43 C ATOM 0 H ALA A 42 8.167 -6.551 -0.833 1.00 0.37 H new ATOM 0 HA ALA A 42 6.152 -8.100 0.466 1.00 0.39 H new ATOM 0 HB1 ALA A 42 4.648 -6.859 -1.080 1.00 0.43 H new ATOM 0 HB2 ALA A 42 5.801 -5.777 -0.262 1.00 0.43 H new ATOM 0 HB3 ALA A 42 6.074 -6.253 -1.955 1.00 0.43 H new ATOM 375 N GLU A 43 7.028 -8.971 -2.571 1.00 0.45 N ATOM 376 CA GLU A 43 6.923 -10.033 -3.566 1.00 0.59 C ATOM 377 C GLU A 43 7.198 -11.378 -2.904 1.00 0.63 C ATOM 378 O GLU A 43 6.406 -12.314 -3.005 1.00 0.75 O ATOM 379 CB GLU A 43 7.920 -9.791 -4.702 1.00 0.71 C ATOM 380 CG GLU A 43 7.813 -10.773 -5.853 1.00 0.87 C ATOM 381 CD GLU A 43 8.846 -10.502 -6.928 1.00 1.66 C ATOM 382 OE1 GLU A 43 8.541 -9.749 -7.880 1.00 2.36 O ATOM 383 OE2 GLU A 43 9.971 -11.030 -6.824 1.00 2.41 O ATOM 0 H GLU A 43 7.723 -8.258 -2.792 1.00 0.45 H new ATOM 0 HA GLU A 43 5.916 -10.037 -3.983 1.00 0.59 H new ATOM 0 HB2 GLU A 43 7.774 -8.782 -5.087 1.00 0.71 H new ATOM 0 HB3 GLU A 43 8.931 -9.835 -4.297 1.00 0.71 H new ATOM 0 HG2 GLU A 43 7.939 -11.788 -5.476 1.00 0.87 H new ATOM 0 HG3 GLU A 43 6.815 -10.716 -6.287 1.00 0.87 H new ATOM 390 N LYS A 44 8.316 -11.435 -2.191 1.00 0.60 N ATOM 391 CA LYS A 44 8.720 -12.627 -1.457 1.00 0.70 C ATOM 392 C LYS A 44 7.744 -12.916 -0.315 1.00 0.66 C ATOM 393 O LYS A 44 7.511 -14.072 0.040 1.00 0.75 O ATOM 394 CB LYS A 44 10.153 -12.434 -0.936 1.00 0.81 C ATOM 395 CG LYS A 44 10.668 -13.546 -0.027 1.00 1.39 C ATOM 396 CD LYS A 44 10.455 -13.223 1.450 1.00 2.35 C ATOM 397 CE LYS A 44 11.295 -12.033 1.906 1.00 3.19 C ATOM 398 NZ LYS A 44 12.753 -12.283 1.764 1.00 3.63 N ATOM 0 H LYS A 44 8.968 -10.656 -2.105 1.00 0.60 H new ATOM 0 HA LYS A 44 8.700 -13.490 -2.122 1.00 0.70 H new ATOM 0 HB2 LYS A 44 10.824 -12.344 -1.790 1.00 0.81 H new ATOM 0 HB3 LYS A 44 10.201 -11.490 -0.392 1.00 0.81 H new ATOM 0 HG2 LYS A 44 10.159 -14.478 -0.271 1.00 1.39 H new ATOM 0 HG3 LYS A 44 11.730 -13.704 -0.214 1.00 1.39 H new ATOM 0 HD2 LYS A 44 9.401 -13.010 1.625 1.00 2.35 H new ATOM 0 HD3 LYS A 44 10.708 -14.096 2.051 1.00 2.35 H new ATOM 0 HE2 LYS A 44 11.021 -11.154 1.323 1.00 3.19 H new ATOM 0 HE3 LYS A 44 11.067 -11.809 2.948 1.00 3.19 H new ATOM 0 HZ1 LYS A 44 13.282 -11.553 2.281 1.00 3.63 H new ATOM 0 HZ2 LYS A 44 12.984 -13.219 2.153 1.00 3.63 H new ATOM 0 HZ3 LYS A 44 13.014 -12.252 0.758 1.00 3.63 H new ATOM 412 N ALA A 45 7.157 -11.861 0.237 1.00 0.57 N ATOM 413 CA ALA A 45 6.195 -11.998 1.327 1.00 0.59 C ATOM 414 C ALA A 45 4.835 -12.470 0.817 1.00 0.59 C ATOM 415 O ALA A 45 3.918 -12.714 1.604 1.00 0.66 O ATOM 416 CB ALA A 45 6.051 -10.684 2.076 1.00 0.56 C ATOM 0 H ALA A 45 7.330 -10.898 -0.052 1.00 0.57 H new ATOM 0 HA ALA A 45 6.576 -12.756 2.012 1.00 0.59 H new ATOM 0 HB1 ALA A 45 5.330 -10.803 2.885 1.00 0.56 H new ATOM 0 HB2 ALA A 45 7.017 -10.393 2.490 1.00 0.56 H new ATOM 0 HB3 ALA A 45 5.703 -9.911 1.391 1.00 0.56 H new ATOM 422 N ASN A 46 4.729 -12.598 -0.506 1.00 0.56 N ATOM 423 CA ASN A 46 3.506 -13.048 -1.172 1.00 0.60 C ATOM 424 C ASN A 46 2.397 -12.008 -1.014 1.00 0.54 C ATOM 425 O ASN A 46 1.244 -12.332 -0.722 1.00 0.63 O ATOM 426 CB ASN A 46 3.056 -14.418 -0.641 1.00 0.76 C ATOM 427 CG ASN A 46 1.937 -15.034 -1.465 1.00 1.41 C ATOM 428 OD1 ASN A 46 1.848 -14.820 -2.675 1.00 2.03 O ATOM 429 ND2 ASN A 46 1.083 -15.810 -0.816 1.00 2.18 N ATOM 0 H ASN A 46 5.493 -12.391 -1.149 1.00 0.56 H new ATOM 0 HA ASN A 46 3.721 -13.161 -2.235 1.00 0.60 H new ATOM 0 HB2 ASN A 46 3.909 -15.096 -0.632 1.00 0.76 H new ATOM 0 HB3 ASN A 46 2.723 -14.310 0.391 1.00 0.76 H new ATOM 0 HD21 ASN A 46 0.316 -16.256 -1.319 1.00 2.18 H new ATOM 0 HD22 ASN A 46 1.192 -15.961 0.187 1.00 2.18 H new ATOM 436 N LEU A 47 2.766 -10.749 -1.190 1.00 0.44 N ATOM 437 CA LEU A 47 1.804 -9.659 -1.162 1.00 0.42 C ATOM 438 C LEU A 47 1.596 -9.140 -2.573 1.00 0.41 C ATOM 439 O LEU A 47 2.472 -9.292 -3.427 1.00 0.58 O ATOM 440 CB LEU A 47 2.303 -8.506 -0.291 1.00 0.43 C ATOM 441 CG LEU A 47 2.941 -8.893 1.042 1.00 0.45 C ATOM 442 CD1 LEU A 47 3.357 -7.648 1.795 1.00 0.47 C ATOM 443 CD2 LEU A 47 1.994 -9.720 1.884 1.00 0.59 C ATOM 0 H LEU A 47 3.729 -10.456 -1.354 1.00 0.44 H new ATOM 0 HA LEU A 47 0.871 -10.039 -0.746 1.00 0.42 H new ATOM 0 HB2 LEU A 47 3.031 -7.933 -0.865 1.00 0.43 H new ATOM 0 HB3 LEU A 47 1.463 -7.842 -0.088 1.00 0.43 H new ATOM 0 HG LEU A 47 3.822 -9.500 0.834 1.00 0.45 H new ATOM 0 HD11 LEU A 47 3.811 -7.932 2.744 1.00 0.47 H new ATOM 0 HD12 LEU A 47 4.079 -7.087 1.201 1.00 0.47 H new ATOM 0 HD13 LEU A 47 2.481 -7.027 1.983 1.00 0.47 H new ATOM 0 HD21 LEU A 47 2.477 -9.980 2.826 1.00 0.59 H new ATOM 0 HD22 LEU A 47 1.090 -9.145 2.086 1.00 0.59 H new ATOM 0 HD23 LEU A 47 1.732 -10.632 1.347 1.00 0.59 H new ATOM 455 N ILE A 48 0.456 -8.524 -2.822 1.00 0.30 N ATOM 456 CA ILE A 48 0.203 -7.929 -4.122 1.00 0.32 C ATOM 457 C ILE A 48 0.571 -6.452 -4.095 1.00 0.32 C ATOM 458 O ILE A 48 -0.210 -5.609 -3.653 1.00 0.33 O ATOM 459 CB ILE A 48 -1.268 -8.100 -4.562 1.00 0.36 C ATOM 460 CG1 ILE A 48 -1.657 -9.581 -4.549 1.00 0.40 C ATOM 461 CG2 ILE A 48 -1.478 -7.506 -5.952 1.00 0.43 C ATOM 462 CD1 ILE A 48 -3.072 -9.848 -5.012 1.00 0.53 C ATOM 0 H ILE A 48 -0.304 -8.422 -2.149 1.00 0.30 H new ATOM 0 HA ILE A 48 0.824 -8.450 -4.850 1.00 0.32 H new ATOM 0 HB ILE A 48 -1.907 -7.567 -3.858 1.00 0.36 H new ATOM 0 HG12 ILE A 48 -0.966 -10.133 -5.186 1.00 0.40 H new ATOM 0 HG13 ILE A 48 -1.537 -9.969 -3.538 1.00 0.40 H new ATOM 0 HG21 ILE A 48 -2.519 -7.634 -6.249 1.00 0.43 H new ATOM 0 HG22 ILE A 48 -1.233 -6.444 -5.935 1.00 0.43 H new ATOM 0 HG23 ILE A 48 -0.832 -8.015 -6.667 1.00 0.43 H new ATOM 0 HD11 ILE A 48 -3.271 -10.919 -4.974 1.00 0.53 H new ATOM 0 HD12 ILE A 48 -3.773 -9.325 -4.361 1.00 0.53 H new ATOM 0 HD13 ILE A 48 -3.193 -9.492 -6.035 1.00 0.53 H new ATOM 474 N LEU A 49 1.780 -6.150 -4.544 1.00 0.34 N ATOM 475 CA LEU A 49 2.277 -4.784 -4.538 1.00 0.35 C ATOM 476 C LEU A 49 1.914 -4.094 -5.847 1.00 0.35 C ATOM 477 O LEU A 49 2.094 -4.658 -6.927 1.00 0.44 O ATOM 478 CB LEU A 49 3.797 -4.780 -4.308 1.00 0.44 C ATOM 479 CG LEU A 49 4.439 -3.408 -4.057 1.00 0.58 C ATOM 480 CD1 LEU A 49 5.734 -3.568 -3.280 1.00 0.90 C ATOM 481 CD2 LEU A 49 4.718 -2.686 -5.366 1.00 1.14 C ATOM 0 H LEU A 49 2.436 -6.835 -4.918 1.00 0.34 H new ATOM 0 HA LEU A 49 1.810 -4.231 -3.723 1.00 0.35 H new ATOM 0 HB2 LEU A 49 4.017 -5.423 -3.455 1.00 0.44 H new ATOM 0 HB3 LEU A 49 4.277 -5.229 -5.178 1.00 0.44 H new ATOM 0 HG LEU A 49 3.736 -2.812 -3.474 1.00 0.58 H new ATOM 0 HD11 LEU A 49 6.179 -2.588 -3.109 1.00 0.90 H new ATOM 0 HD12 LEU A 49 5.527 -4.045 -2.322 1.00 0.90 H new ATOM 0 HD13 LEU A 49 6.427 -4.186 -3.851 1.00 0.90 H new ATOM 0 HD21 LEU A 49 5.172 -1.717 -5.158 1.00 1.14 H new ATOM 0 HD22 LEU A 49 5.399 -3.283 -5.973 1.00 1.14 H new ATOM 0 HD23 LEU A 49 3.783 -2.539 -5.907 1.00 1.14 H new ATOM 493 N ILE A 50 1.391 -2.880 -5.740 1.00 0.33 N ATOM 494 CA ILE A 50 0.979 -2.107 -6.900 1.00 0.34 C ATOM 495 C ILE A 50 1.780 -0.810 -6.982 1.00 0.32 C ATOM 496 O ILE A 50 1.517 0.140 -6.239 1.00 0.36 O ATOM 497 CB ILE A 50 -0.528 -1.752 -6.844 1.00 0.41 C ATOM 498 CG1 ILE A 50 -1.380 -2.989 -6.532 1.00 0.48 C ATOM 499 CG2 ILE A 50 -0.971 -1.126 -8.160 1.00 0.46 C ATOM 500 CD1 ILE A 50 -1.317 -4.063 -7.594 1.00 0.94 C ATOM 0 H ILE A 50 1.241 -2.406 -4.849 1.00 0.33 H new ATOM 0 HA ILE A 50 1.164 -2.723 -7.780 1.00 0.34 H new ATOM 0 HB ILE A 50 -0.674 -1.031 -6.040 1.00 0.41 H new ATOM 0 HG12 ILE A 50 -1.053 -3.412 -5.582 1.00 0.48 H new ATOM 0 HG13 ILE A 50 -2.417 -2.680 -6.403 1.00 0.48 H new ATOM 0 HG21 ILE A 50 -2.032 -0.881 -8.108 1.00 0.46 H new ATOM 0 HG22 ILE A 50 -0.397 -0.217 -8.342 1.00 0.46 H new ATOM 0 HG23 ILE A 50 -0.801 -1.831 -8.974 1.00 0.46 H new ATOM 0 HD11 ILE A 50 -1.946 -4.903 -7.299 1.00 0.94 H new ATOM 0 HD12 ILE A 50 -1.672 -3.659 -8.542 1.00 0.94 H new ATOM 0 HD13 ILE A 50 -0.287 -4.402 -7.708 1.00 0.94 H new ATOM 512 N THR A 51 2.769 -0.778 -7.864 1.00 0.32 N ATOM 513 CA THR A 51 3.532 0.436 -8.097 1.00 0.35 C ATOM 514 C THR A 51 2.754 1.390 -8.994 1.00 0.38 C ATOM 515 O THR A 51 2.396 1.044 -10.123 1.00 0.55 O ATOM 516 CB THR A 51 4.902 0.130 -8.728 1.00 0.47 C ATOM 517 OG1 THR A 51 4.800 -1.004 -9.598 1.00 1.17 O ATOM 518 CG2 THR A 51 5.949 -0.132 -7.660 1.00 0.89 C ATOM 0 H THR A 51 3.060 -1.577 -8.427 1.00 0.32 H new ATOM 0 HA THR A 51 3.700 0.907 -7.129 1.00 0.35 H new ATOM 0 HB THR A 51 5.212 1.002 -9.305 1.00 0.47 H new ATOM 0 HG1 THR A 51 5.676 -1.190 -9.996 1.00 1.17 H new ATOM 0 HG21 THR A 51 6.907 -0.345 -8.134 1.00 0.89 H new ATOM 0 HG22 THR A 51 6.047 0.747 -7.023 1.00 0.89 H new ATOM 0 HG23 THR A 51 5.646 -0.986 -7.055 1.00 0.89 H new ATOM 526 N VAL A 52 2.479 2.578 -8.482 1.00 0.39 N ATOM 527 CA VAL A 52 1.703 3.565 -9.216 1.00 0.49 C ATOM 528 C VAL A 52 2.424 4.901 -9.283 1.00 0.58 C ATOM 529 O VAL A 52 3.545 5.045 -8.791 1.00 0.80 O ATOM 530 CB VAL A 52 0.313 3.783 -8.584 1.00 0.59 C ATOM 531 CG1 VAL A 52 -0.610 2.625 -8.908 1.00 1.38 C ATOM 532 CG2 VAL A 52 0.426 3.967 -7.078 1.00 1.04 C ATOM 0 H VAL A 52 2.783 2.884 -7.557 1.00 0.39 H new ATOM 0 HA VAL A 52 1.579 3.169 -10.224 1.00 0.49 H new ATOM 0 HB VAL A 52 -0.112 4.692 -9.009 1.00 0.59 H new ATOM 0 HG11 VAL A 52 -1.585 2.799 -8.453 1.00 1.38 H new ATOM 0 HG12 VAL A 52 -0.724 2.542 -9.989 1.00 1.38 H new ATOM 0 HG13 VAL A 52 -0.186 1.701 -8.516 1.00 1.38 H new ATOM 0 HG21 VAL A 52 -0.567 4.119 -6.655 1.00 1.04 H new ATOM 0 HG22 VAL A 52 0.877 3.079 -6.636 1.00 1.04 H new ATOM 0 HG23 VAL A 52 1.049 4.835 -6.863 1.00 1.04 H new ATOM 542 N GLY A 53 1.771 5.871 -9.901 1.00 0.66 N ATOM 543 CA GLY A 53 2.339 7.190 -10.013 1.00 0.75 C ATOM 544 C GLY A 53 1.330 8.280 -9.719 1.00 0.81 C ATOM 545 O GLY A 53 0.499 8.608 -10.566 1.00 1.24 O ATOM 0 H GLY A 53 0.851 5.764 -10.329 1.00 0.66 H new ATOM 0 HA2 GLY A 53 3.179 7.281 -9.324 1.00 0.75 H new ATOM 0 HA3 GLY A 53 2.736 7.328 -11.019 1.00 0.75 H new ATOM 549 N ASP A 54 1.387 8.786 -8.492 1.00 0.71 N ATOM 550 CA ASP A 54 0.638 9.974 -8.057 1.00 0.82 C ATOM 551 C ASP A 54 -0.754 9.603 -7.570 1.00 0.70 C ATOM 552 O ASP A 54 -1.227 8.494 -7.834 1.00 0.64 O ATOM 553 CB ASP A 54 0.564 11.050 -9.155 1.00 1.08 C ATOM 554 CG ASP A 54 1.885 11.759 -9.377 1.00 1.34 C ATOM 555 OD1 ASP A 54 2.128 12.796 -8.721 1.00 1.75 O ATOM 556 OD2 ASP A 54 2.687 11.293 -10.211 1.00 1.98 O ATOM 0 H ASP A 54 1.963 8.380 -7.754 1.00 0.71 H new ATOM 0 HA ASP A 54 1.189 10.403 -7.220 1.00 0.82 H new ATOM 0 HB2 ASP A 54 0.244 10.587 -10.089 1.00 1.08 H new ATOM 0 HB3 ASP A 54 -0.196 11.784 -8.887 1.00 1.08 H new ATOM 561 N GLU A 55 -1.387 10.512 -6.829 1.00 0.80 N ATOM 562 CA GLU A 55 -2.690 10.258 -6.211 1.00 0.79 C ATOM 563 C GLU A 55 -3.667 9.656 -7.207 1.00 0.69 C ATOM 564 O GLU A 55 -4.393 8.717 -6.889 1.00 0.71 O ATOM 565 CB GLU A 55 -3.286 11.552 -5.644 1.00 0.95 C ATOM 566 CG GLU A 55 -2.375 12.283 -4.670 1.00 0.90 C ATOM 567 CD GLU A 55 -1.457 13.275 -5.357 1.00 1.53 C ATOM 568 OE1 GLU A 55 -0.469 12.847 -5.987 1.00 2.16 O ATOM 569 OE2 GLU A 55 -1.721 14.491 -5.267 1.00 2.21 O ATOM 0 H GLU A 55 -1.014 11.442 -6.640 1.00 0.80 H new ATOM 0 HA GLU A 55 -2.528 9.547 -5.401 1.00 0.79 H new ATOM 0 HB2 GLU A 55 -3.527 12.221 -6.470 1.00 0.95 H new ATOM 0 HB3 GLU A 55 -4.224 11.317 -5.141 1.00 0.95 H new ATOM 0 HG2 GLU A 55 -2.984 12.808 -3.934 1.00 0.90 H new ATOM 0 HG3 GLU A 55 -1.774 11.555 -4.126 1.00 0.90 H new ATOM 576 N GLU A 56 -3.649 10.190 -8.417 1.00 0.70 N ATOM 577 CA GLU A 56 -4.539 9.746 -9.479 1.00 0.70 C ATOM 578 C GLU A 56 -4.381 8.252 -9.739 1.00 0.66 C ATOM 579 O GLU A 56 -5.361 7.510 -9.751 1.00 0.67 O ATOM 580 CB GLU A 56 -4.245 10.540 -10.743 1.00 0.82 C ATOM 581 CG GLU A 56 -4.260 12.038 -10.510 1.00 0.93 C ATOM 582 CD GLU A 56 -3.975 12.822 -11.768 1.00 1.33 C ATOM 583 OE1 GLU A 56 -2.787 13.077 -12.059 1.00 2.04 O ATOM 584 OE2 GLU A 56 -4.938 13.184 -12.474 1.00 1.89 O ATOM 0 H GLU A 56 -3.018 10.943 -8.691 1.00 0.70 H new ATOM 0 HA GLU A 56 -5.570 9.919 -9.171 1.00 0.70 H new ATOM 0 HB2 GLU A 56 -3.270 10.247 -11.133 1.00 0.82 H new ATOM 0 HB3 GLU A 56 -4.982 10.288 -11.505 1.00 0.82 H new ATOM 0 HG2 GLU A 56 -5.233 12.331 -10.116 1.00 0.93 H new ATOM 0 HG3 GLU A 56 -3.519 12.292 -9.752 1.00 0.93 H new ATOM 591 N GLU A 57 -3.143 7.808 -9.914 1.00 0.65 N ATOM 592 CA GLU A 57 -2.876 6.399 -10.151 1.00 0.65 C ATOM 593 C GLU A 57 -3.132 5.576 -8.896 1.00 0.55 C ATOM 594 O GLU A 57 -3.490 4.399 -8.980 1.00 0.52 O ATOM 595 CB GLU A 57 -1.455 6.181 -10.658 1.00 0.73 C ATOM 596 CG GLU A 57 -1.283 6.514 -12.130 1.00 1.11 C ATOM 597 CD GLU A 57 -2.138 5.632 -13.012 1.00 1.52 C ATOM 598 OE1 GLU A 57 -3.190 6.100 -13.493 1.00 2.13 O ATOM 599 OE2 GLU A 57 -1.776 4.456 -13.212 1.00 2.16 O ATOM 0 H GLU A 57 -2.313 8.401 -9.896 1.00 0.65 H new ATOM 0 HA GLU A 57 -3.563 6.061 -10.926 1.00 0.65 H new ATOM 0 HB2 GLU A 57 -0.770 6.794 -10.072 1.00 0.73 H new ATOM 0 HB3 GLU A 57 -1.174 5.141 -10.493 1.00 0.73 H new ATOM 0 HG2 GLU A 57 -1.545 7.559 -12.299 1.00 1.11 H new ATOM 0 HG3 GLU A 57 -0.235 6.399 -12.408 1.00 1.11 H new ATOM 606 N LEU A 58 -2.960 6.200 -7.738 1.00 0.52 N ATOM 607 CA LEU A 58 -3.271 5.551 -6.474 1.00 0.48 C ATOM 608 C LEU A 58 -4.762 5.250 -6.395 1.00 0.46 C ATOM 609 O LEU A 58 -5.158 4.174 -5.959 1.00 0.44 O ATOM 610 CB LEU A 58 -2.848 6.430 -5.295 1.00 0.52 C ATOM 611 CG LEU A 58 -3.187 5.873 -3.906 1.00 0.55 C ATOM 612 CD1 LEU A 58 -2.528 4.518 -3.684 1.00 0.83 C ATOM 613 CD2 LEU A 58 -2.765 6.855 -2.825 1.00 0.74 C ATOM 0 H LEU A 58 -2.607 7.153 -7.649 1.00 0.52 H new ATOM 0 HA LEU A 58 -2.715 4.615 -6.421 1.00 0.48 H new ATOM 0 HB2 LEU A 58 -1.771 6.591 -5.351 1.00 0.52 H new ATOM 0 HB3 LEU A 58 -3.322 7.406 -5.402 1.00 0.52 H new ATOM 0 HG LEU A 58 -4.267 5.735 -3.850 1.00 0.55 H new ATOM 0 HD11 LEU A 58 -2.785 4.147 -2.692 1.00 0.83 H new ATOM 0 HD12 LEU A 58 -2.881 3.814 -4.438 1.00 0.83 H new ATOM 0 HD13 LEU A 58 -1.446 4.622 -3.763 1.00 0.83 H new ATOM 0 HD21 LEU A 58 -3.012 6.446 -1.845 1.00 0.74 H new ATOM 0 HD22 LEU A 58 -1.690 7.025 -2.887 1.00 0.74 H new ATOM 0 HD23 LEU A 58 -3.290 7.800 -2.967 1.00 0.74 H new ATOM 625 N LYS A 59 -5.578 6.198 -6.851 1.00 0.52 N ATOM 626 CA LYS A 59 -7.031 6.036 -6.864 1.00 0.57 C ATOM 627 C LYS A 59 -7.437 4.790 -7.634 1.00 0.51 C ATOM 628 O LYS A 59 -8.428 4.133 -7.312 1.00 0.58 O ATOM 629 CB LYS A 59 -7.701 7.264 -7.487 1.00 0.69 C ATOM 630 CG LYS A 59 -7.445 8.550 -6.724 1.00 0.76 C ATOM 631 CD LYS A 59 -8.121 9.741 -7.385 1.00 0.97 C ATOM 632 CE LYS A 59 -7.826 11.032 -6.634 1.00 1.64 C ATOM 633 NZ LYS A 59 -8.268 10.962 -5.216 1.00 2.26 N ATOM 0 H LYS A 59 -5.255 7.093 -7.219 1.00 0.52 H new ATOM 0 HA LYS A 59 -7.361 5.930 -5.831 1.00 0.57 H new ATOM 0 HB2 LYS A 59 -7.344 7.382 -8.510 1.00 0.69 H new ATOM 0 HB3 LYS A 59 -8.776 7.092 -7.542 1.00 0.69 H new ATOM 0 HG2 LYS A 59 -7.810 8.446 -5.702 1.00 0.76 H new ATOM 0 HG3 LYS A 59 -6.372 8.729 -6.662 1.00 0.76 H new ATOM 0 HD2 LYS A 59 -7.778 9.831 -8.416 1.00 0.97 H new ATOM 0 HD3 LYS A 59 -9.198 9.577 -7.421 1.00 0.97 H new ATOM 0 HE2 LYS A 59 -6.756 11.237 -6.671 1.00 1.64 H new ATOM 0 HE3 LYS A 59 -8.327 11.863 -7.130 1.00 1.64 H new ATOM 0 HZ1 LYS A 59 -8.239 11.913 -4.796 1.00 2.26 H new ATOM 0 HZ2 LYS A 59 -9.240 10.594 -5.173 1.00 2.26 H new ATOM 0 HZ3 LYS A 59 -7.635 10.330 -4.686 1.00 2.26 H new ATOM 647 N LYS A 60 -6.652 4.469 -8.641 1.00 0.49 N ATOM 648 CA LYS A 60 -6.940 3.343 -9.505 1.00 0.48 C ATOM 649 C LYS A 60 -6.412 2.055 -8.892 1.00 0.41 C ATOM 650 O LYS A 60 -6.990 0.989 -9.077 1.00 0.41 O ATOM 651 CB LYS A 60 -6.317 3.603 -10.868 1.00 0.58 C ATOM 652 CG LYS A 60 -6.505 5.042 -11.325 1.00 0.72 C ATOM 653 CD LYS A 60 -7.820 5.264 -12.067 1.00 1.19 C ATOM 654 CE LYS A 60 -9.029 5.101 -11.159 1.00 1.91 C ATOM 655 NZ LYS A 60 -10.290 5.522 -11.822 1.00 2.35 N ATOM 0 H LYS A 60 -5.801 4.977 -8.883 1.00 0.49 H new ATOM 0 HA LYS A 60 -8.018 3.228 -9.622 1.00 0.48 H new ATOM 0 HB2 LYS A 60 -5.252 3.373 -10.828 1.00 0.58 H new ATOM 0 HB3 LYS A 60 -6.761 2.930 -11.602 1.00 0.58 H new ATOM 0 HG2 LYS A 60 -6.468 5.701 -10.457 1.00 0.72 H new ATOM 0 HG3 LYS A 60 -5.676 5.323 -11.974 1.00 0.72 H new ATOM 0 HD2 LYS A 60 -7.826 6.264 -12.500 1.00 1.19 H new ATOM 0 HD3 LYS A 60 -7.892 4.558 -12.894 1.00 1.19 H new ATOM 0 HE2 LYS A 60 -9.113 4.059 -10.852 1.00 1.91 H new ATOM 0 HE3 LYS A 60 -8.883 5.689 -10.253 1.00 1.91 H new ATOM 0 HZ1 LYS A 60 -11.087 5.393 -11.166 1.00 2.35 H new ATOM 0 HZ2 LYS A 60 -10.222 6.524 -12.092 1.00 2.35 H new ATOM 0 HZ3 LYS A 60 -10.445 4.944 -12.672 1.00 2.35 H new ATOM 669 N ALA A 61 -5.320 2.168 -8.145 1.00 0.40 N ATOM 670 CA ALA A 61 -4.763 1.031 -7.423 1.00 0.39 C ATOM 671 C ALA A 61 -5.659 0.668 -6.249 1.00 0.32 C ATOM 672 O ALA A 61 -5.837 -0.506 -5.928 1.00 0.34 O ATOM 673 CB ALA A 61 -3.358 1.346 -6.938 1.00 0.47 C ATOM 0 H ALA A 61 -4.802 3.038 -8.024 1.00 0.40 H new ATOM 0 HA ALA A 61 -4.710 0.179 -8.101 1.00 0.39 H new ATOM 0 HB1 ALA A 61 -2.957 0.486 -6.401 1.00 0.47 H new ATOM 0 HB2 ALA A 61 -2.720 1.570 -7.793 1.00 0.47 H new ATOM 0 HB3 ALA A 61 -3.388 2.208 -6.272 1.00 0.47 H new ATOM 679 N ILE A 62 -6.219 1.692 -5.617 1.00 0.31 N ATOM 680 CA ILE A 62 -7.152 1.511 -4.514 1.00 0.37 C ATOM 681 C ILE A 62 -8.365 0.705 -4.964 1.00 0.36 C ATOM 682 O ILE A 62 -8.718 -0.298 -4.345 1.00 0.38 O ATOM 683 CB ILE A 62 -7.612 2.875 -3.946 1.00 0.49 C ATOM 684 CG1 ILE A 62 -6.434 3.594 -3.285 1.00 0.45 C ATOM 685 CG2 ILE A 62 -8.752 2.698 -2.952 1.00 0.83 C ATOM 686 CD1 ILE A 62 -6.749 5.011 -2.862 1.00 0.53 C ATOM 0 H ILE A 62 -6.040 2.668 -5.854 1.00 0.31 H new ATOM 0 HA ILE A 62 -6.633 0.964 -3.727 1.00 0.37 H new ATOM 0 HB ILE A 62 -7.979 3.483 -4.773 1.00 0.49 H new ATOM 0 HG12 ILE A 62 -6.116 3.025 -2.411 1.00 0.45 H new ATOM 0 HG13 ILE A 62 -5.593 3.609 -3.978 1.00 0.45 H new ATOM 0 HG21 ILE A 62 -9.055 3.672 -2.569 1.00 0.83 H new ATOM 0 HG22 ILE A 62 -9.598 2.224 -3.450 1.00 0.83 H new ATOM 0 HG23 ILE A 62 -8.420 2.070 -2.125 1.00 0.83 H new ATOM 0 HD11 ILE A 62 -5.868 5.458 -2.401 1.00 0.53 H new ATOM 0 HD12 ILE A 62 -7.038 5.596 -3.735 1.00 0.53 H new ATOM 0 HD13 ILE A 62 -7.569 5.003 -2.144 1.00 0.53 H new ATOM 698 N LYS A 63 -8.984 1.129 -6.059 1.00 0.37 N ATOM 699 CA LYS A 63 -10.158 0.440 -6.568 1.00 0.40 C ATOM 700 C LYS A 63 -9.770 -0.911 -7.167 1.00 0.35 C ATOM 701 O LYS A 63 -10.559 -1.852 -7.155 1.00 0.40 O ATOM 702 CB LYS A 63 -10.892 1.302 -7.599 1.00 0.49 C ATOM 703 CG LYS A 63 -12.215 0.706 -8.063 1.00 0.59 C ATOM 704 CD LYS A 63 -13.145 0.425 -6.889 1.00 1.21 C ATOM 705 CE LYS A 63 -14.430 -0.252 -7.335 1.00 1.94 C ATOM 706 NZ LYS A 63 -15.268 -0.666 -6.176 1.00 2.76 N ATOM 0 H LYS A 63 -8.694 1.940 -6.606 1.00 0.37 H new ATOM 0 HA LYS A 63 -10.837 0.262 -5.734 1.00 0.40 H new ATOM 0 HB2 LYS A 63 -11.077 2.287 -7.170 1.00 0.49 H new ATOM 0 HB3 LYS A 63 -10.246 1.448 -8.464 1.00 0.49 H new ATOM 0 HG2 LYS A 63 -12.701 1.392 -8.757 1.00 0.59 H new ATOM 0 HG3 LYS A 63 -12.027 -0.219 -8.609 1.00 0.59 H new ATOM 0 HD2 LYS A 63 -12.634 -0.208 -6.164 1.00 1.21 H new ATOM 0 HD3 LYS A 63 -13.384 1.360 -6.383 1.00 1.21 H new ATOM 0 HE2 LYS A 63 -14.998 0.428 -7.970 1.00 1.94 H new ATOM 0 HE3 LYS A 63 -14.189 -1.126 -7.940 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 -15.917 -1.423 -6.470 1.00 2.76 H new ATOM 0 HZ2 LYS A 63 -14.655 -1.013 -5.411 1.00 2.76 H new ATOM 0 HZ3 LYS A 63 -15.818 0.149 -5.837 1.00 2.76 H new ATOM 720 N LYS A 64 -8.547 -1.002 -7.678 1.00 0.34 N ATOM 721 CA LYS A 64 -8.035 -2.258 -8.211 1.00 0.39 C ATOM 722 C LYS A 64 -7.898 -3.286 -7.094 1.00 0.35 C ATOM 723 O LYS A 64 -8.351 -4.420 -7.222 1.00 0.40 O ATOM 724 CB LYS A 64 -6.685 -2.038 -8.896 1.00 0.51 C ATOM 725 CG LYS A 64 -6.144 -3.272 -9.595 1.00 1.05 C ATOM 726 CD LYS A 64 -4.885 -2.952 -10.381 1.00 1.04 C ATOM 727 CE LYS A 64 -4.393 -4.159 -11.160 1.00 1.59 C ATOM 728 NZ LYS A 64 -3.290 -3.803 -12.091 1.00 2.11 N ATOM 0 H LYS A 64 -7.893 -0.221 -7.734 1.00 0.34 H new ATOM 0 HA LYS A 64 -8.741 -2.635 -8.951 1.00 0.39 H new ATOM 0 HB2 LYS A 64 -6.785 -1.234 -9.625 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -5.961 -1.706 -8.152 1.00 0.51 H new ATOM 0 HG2 LYS A 64 -5.929 -4.045 -8.858 1.00 1.05 H new ATOM 0 HG3 LYS A 64 -6.902 -3.674 -10.267 1.00 1.05 H new ATOM 0 HD2 LYS A 64 -5.083 -2.130 -11.069 1.00 1.04 H new ATOM 0 HD3 LYS A 64 -4.105 -2.615 -9.699 1.00 1.04 H new ATOM 0 HE2 LYS A 64 -4.049 -4.925 -10.465 1.00 1.59 H new ATOM 0 HE3 LYS A 64 -5.220 -4.589 -11.724 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 -2.981 -4.653 -12.605 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 -3.626 -3.091 -12.770 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 -2.491 -3.416 -11.550 1.00 2.11 H new ATOM 742 N ALA A 65 -7.284 -2.873 -5.991 1.00 0.30 N ATOM 743 CA ALA A 65 -7.140 -3.735 -4.825 1.00 0.30 C ATOM 744 C ALA A 65 -8.510 -4.100 -4.267 1.00 0.33 C ATOM 745 O ALA A 65 -8.764 -5.253 -3.917 1.00 0.38 O ATOM 746 CB ALA A 65 -6.296 -3.048 -3.764 1.00 0.31 C ATOM 0 H ALA A 65 -6.877 -1.944 -5.880 1.00 0.30 H new ATOM 0 HA ALA A 65 -6.635 -4.653 -5.126 1.00 0.30 H new ATOM 0 HB1 ALA A 65 -6.196 -3.703 -2.898 1.00 0.31 H new ATOM 0 HB2 ALA A 65 -5.308 -2.830 -4.170 1.00 0.31 H new ATOM 0 HB3 ALA A 65 -6.778 -2.118 -3.462 1.00 0.31 H new ATOM 752 N ASP A 66 -9.385 -3.102 -4.208 1.00 0.35 N ATOM 753 CA ASP A 66 -10.773 -3.286 -3.781 1.00 0.41 C ATOM 754 C ASP A 66 -11.475 -4.329 -4.648 1.00 0.40 C ATOM 755 O ASP A 66 -12.309 -5.099 -4.169 1.00 0.47 O ATOM 756 CB ASP A 66 -11.516 -1.944 -3.871 1.00 0.48 C ATOM 757 CG ASP A 66 -13.010 -2.051 -3.619 1.00 0.55 C ATOM 758 OD1 ASP A 66 -13.439 -1.920 -2.452 1.00 1.11 O ATOM 759 OD2 ASP A 66 -13.773 -2.228 -4.592 1.00 1.36 O ATOM 0 H ASP A 66 -9.154 -2.140 -4.455 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.779 -3.641 -2.750 1.00 0.41 H new ATOM 0 HB2 ASP A 66 -11.084 -1.251 -3.149 1.00 0.48 H new ATOM 0 HB3 ASP A 66 -11.354 -1.515 -4.860 1.00 0.48 H new ATOM 764 N ASP A 67 -11.115 -4.356 -5.921 1.00 0.36 N ATOM 765 CA ASP A 67 -11.759 -5.235 -6.884 1.00 0.38 C ATOM 766 C ASP A 67 -11.159 -6.640 -6.858 1.00 0.40 C ATOM 767 O ASP A 67 -11.891 -7.625 -6.894 1.00 0.48 O ATOM 768 CB ASP A 67 -11.658 -4.638 -8.287 1.00 0.42 C ATOM 769 CG ASP A 67 -12.461 -5.414 -9.307 1.00 0.95 C ATOM 770 OD1 ASP A 67 -11.860 -5.945 -10.261 1.00 1.66 O ATOM 771 OD2 ASP A 67 -13.699 -5.493 -9.164 1.00 1.68 O ATOM 0 H ASP A 67 -10.375 -3.775 -6.314 1.00 0.36 H new ATOM 0 HA ASP A 67 -12.809 -5.323 -6.606 1.00 0.38 H new ATOM 0 HB2 ASP A 67 -12.006 -3.605 -8.265 1.00 0.42 H new ATOM 0 HB3 ASP A 67 -10.612 -4.615 -8.594 1.00 0.42 H new ATOM 776 N ILE A 68 -9.834 -6.734 -6.778 1.00 0.37 N ATOM 777 CA ILE A 68 -9.163 -8.034 -6.763 1.00 0.41 C ATOM 778 C ILE A 68 -9.483 -8.791 -5.477 1.00 0.41 C ATOM 779 O ILE A 68 -9.706 -10.003 -5.489 1.00 0.47 O ATOM 780 CB ILE A 68 -7.630 -7.893 -6.894 1.00 0.43 C ATOM 781 CG1 ILE A 68 -7.264 -7.173 -8.194 1.00 0.46 C ATOM 782 CG2 ILE A 68 -6.966 -9.266 -6.840 1.00 0.48 C ATOM 783 CD1 ILE A 68 -5.784 -6.883 -8.337 1.00 0.51 C ATOM 0 H ILE A 68 -9.206 -5.932 -6.723 1.00 0.37 H new ATOM 0 HA ILE A 68 -9.536 -8.591 -7.623 1.00 0.41 H new ATOM 0 HB ILE A 68 -7.265 -7.296 -6.058 1.00 0.43 H new ATOM 0 HG12 ILE A 68 -7.589 -7.781 -9.039 1.00 0.46 H new ATOM 0 HG13 ILE A 68 -7.815 -6.234 -8.246 1.00 0.46 H new ATOM 0 HG21 ILE A 68 -5.886 -9.152 -6.933 1.00 0.48 H new ATOM 0 HG22 ILE A 68 -7.199 -9.746 -5.890 1.00 0.48 H new ATOM 0 HG23 ILE A 68 -7.338 -9.882 -7.658 1.00 0.48 H new ATOM 0 HD11 ILE A 68 -5.603 -6.372 -9.283 1.00 0.51 H new ATOM 0 HD12 ILE A 68 -5.456 -6.249 -7.513 1.00 0.51 H new ATOM 0 HD13 ILE A 68 -5.226 -7.819 -8.318 1.00 0.51 H new ATOM 795 N ALA A 69 -9.506 -8.062 -4.373 1.00 0.39 N ATOM 796 CA ALA A 69 -9.767 -8.649 -3.067 1.00 0.43 C ATOM 797 C ALA A 69 -11.188 -9.188 -2.978 1.00 0.47 C ATOM 798 O ALA A 69 -11.411 -10.385 -2.779 1.00 0.53 O ATOM 799 CB ALA A 69 -9.544 -7.604 -1.985 1.00 0.46 C ATOM 0 H ALA A 69 -9.346 -7.055 -4.355 1.00 0.39 H new ATOM 0 HA ALA A 69 -9.080 -9.482 -2.923 1.00 0.43 H new ATOM 0 HB1 ALA A 69 -9.740 -8.045 -1.008 1.00 0.46 H new ATOM 0 HB2 ALA A 69 -8.513 -7.253 -2.025 1.00 0.46 H new ATOM 0 HB3 ALA A 69 -10.219 -6.764 -2.146 1.00 0.46 H new ATOM 805 N LYS A 70 -12.135 -8.285 -3.154 1.00 0.52 N ATOM 806 CA LYS A 70 -13.555 -8.574 -2.988 1.00 0.65 C ATOM 807 C LYS A 70 -14.041 -9.578 -4.013 1.00 0.63 C ATOM 808 O LYS A 70 -15.051 -10.249 -3.803 1.00 0.72 O ATOM 809 CB LYS A 70 -14.319 -7.286 -3.186 1.00 0.87 C ATOM 810 CG LYS A 70 -15.615 -7.168 -2.403 1.00 1.09 C ATOM 811 CD LYS A 70 -16.211 -5.772 -2.542 1.00 1.14 C ATOM 812 CE LYS A 70 -15.210 -4.695 -2.140 1.00 1.14 C ATOM 813 NZ LYS A 70 -15.738 -3.324 -2.347 1.00 1.50 N ATOM 0 H LYS A 70 -11.942 -7.319 -3.419 1.00 0.52 H new ATOM 0 HA LYS A 70 -13.714 -8.993 -1.994 1.00 0.65 H new ATOM 0 HB2 LYS A 70 -13.671 -6.454 -2.911 1.00 0.87 H new ATOM 0 HB3 LYS A 70 -14.544 -7.177 -4.247 1.00 0.87 H new ATOM 0 HG2 LYS A 70 -16.329 -7.910 -2.761 1.00 1.09 H new ATOM 0 HG3 LYS A 70 -15.430 -7.385 -1.351 1.00 1.09 H new ATOM 0 HD2 LYS A 70 -16.526 -5.611 -3.573 1.00 1.14 H new ATOM 0 HD3 LYS A 70 -17.102 -5.692 -1.920 1.00 1.14 H new ATOM 0 HE2 LYS A 70 -14.944 -4.824 -1.091 1.00 1.14 H new ATOM 0 HE3 LYS A 70 -14.295 -4.820 -2.719 1.00 1.14 H new ATOM 0 HZ1 LYS A 70 -14.958 -2.639 -2.289 1.00 1.50 H new ATOM 0 HZ2 LYS A 70 -16.185 -3.262 -3.284 1.00 1.50 H new ATOM 0 HZ3 LYS A 70 -16.442 -3.109 -1.613 1.00 1.50 H new ATOM 827 N LYS A 71 -13.321 -9.641 -5.129 1.00 0.62 N ATOM 828 CA LYS A 71 -13.662 -10.508 -6.245 1.00 0.76 C ATOM 829 C LYS A 71 -14.089 -11.884 -5.762 1.00 0.83 C ATOM 830 O LYS A 71 -15.136 -12.397 -6.165 1.00 1.03 O ATOM 831 CB LYS A 71 -12.454 -10.637 -7.175 1.00 0.84 C ATOM 832 CG LYS A 71 -12.706 -11.465 -8.423 1.00 1.26 C ATOM 833 CD LYS A 71 -11.452 -11.551 -9.275 1.00 1.71 C ATOM 834 CE LYS A 71 -11.696 -12.314 -10.565 1.00 2.27 C ATOM 835 NZ LYS A 71 -10.454 -12.434 -11.374 1.00 2.71 N ATOM 0 H LYS A 71 -12.479 -9.086 -5.282 1.00 0.62 H new ATOM 0 HA LYS A 71 -14.500 -10.065 -6.783 1.00 0.76 H new ATOM 0 HB2 LYS A 71 -12.134 -9.639 -7.475 1.00 0.84 H new ATOM 0 HB3 LYS A 71 -11.629 -11.083 -6.619 1.00 0.84 H new ATOM 0 HG2 LYS A 71 -13.029 -12.467 -8.141 1.00 1.26 H new ATOM 0 HG3 LYS A 71 -13.515 -11.021 -9.003 1.00 1.26 H new ATOM 0 HD2 LYS A 71 -11.102 -10.546 -9.508 1.00 1.71 H new ATOM 0 HD3 LYS A 71 -10.660 -12.040 -8.708 1.00 1.71 H new ATOM 0 HE2 LYS A 71 -12.077 -13.308 -10.333 1.00 2.27 H new ATOM 0 HE3 LYS A 71 -12.464 -11.806 -11.149 1.00 2.27 H new ATOM 0 HZ1 LYS A 71 -10.658 -12.961 -12.247 1.00 2.71 H new ATOM 0 HZ2 LYS A 71 -10.104 -11.485 -11.616 1.00 2.71 H new ATOM 0 HZ3 LYS A 71 -9.730 -12.941 -10.826 1.00 2.71 H new ATOM 917 N ALA A 77 -10.298 -6.845 3.251 1.00 0.55 N ATOM 918 CA ALA A 77 -8.872 -6.875 3.001 1.00 0.44 C ATOM 919 C ALA A 77 -8.149 -5.863 3.864 1.00 0.37 C ATOM 920 O ALA A 77 -8.768 -5.009 4.498 1.00 0.42 O ATOM 921 CB ALA A 77 -8.588 -6.592 1.534 1.00 0.71 C ATOM 0 HA ALA A 77 -8.507 -7.871 3.253 1.00 0.44 H new ATOM 0 HB1 ALA A 77 -7.512 -6.618 1.360 1.00 0.71 H new ATOM 0 HB2 ALA A 77 -9.073 -7.348 0.917 1.00 0.71 H new ATOM 0 HB3 ALA A 77 -8.975 -5.607 1.272 1.00 0.71 H new ATOM 927 N LYS A 78 -6.837 -5.964 3.888 1.00 0.35 N ATOM 928 CA LYS A 78 -6.017 -4.974 4.546 1.00 0.37 C ATOM 929 C LYS A 78 -4.927 -4.542 3.586 1.00 0.33 C ATOM 930 O LYS A 78 -4.210 -5.372 3.025 1.00 0.37 O ATOM 931 CB LYS A 78 -5.429 -5.518 5.851 1.00 0.50 C ATOM 932 CG LYS A 78 -6.481 -6.099 6.783 1.00 0.63 C ATOM 933 CD LYS A 78 -5.955 -6.267 8.195 1.00 0.89 C ATOM 934 CE LYS A 78 -6.857 -7.170 9.024 1.00 1.04 C ATOM 935 NZ LYS A 78 -8.288 -6.751 8.991 1.00 1.67 N ATOM 0 H LYS A 78 -6.315 -6.727 3.456 1.00 0.35 H new ATOM 0 HA LYS A 78 -6.628 -4.112 4.816 1.00 0.37 H new ATOM 0 HB2 LYS A 78 -4.694 -6.288 5.618 1.00 0.50 H new ATOM 0 HB3 LYS A 78 -4.899 -4.716 6.366 1.00 0.50 H new ATOM 0 HG2 LYS A 78 -7.354 -5.447 6.796 1.00 0.63 H new ATOM 0 HG3 LYS A 78 -6.811 -7.065 6.401 1.00 0.63 H new ATOM 0 HD2 LYS A 78 -4.950 -6.687 8.162 1.00 0.89 H new ATOM 0 HD3 LYS A 78 -5.877 -5.291 8.674 1.00 0.89 H new ATOM 0 HE2 LYS A 78 -6.775 -8.193 8.657 1.00 1.04 H new ATOM 0 HE3 LYS A 78 -6.509 -7.173 10.057 1.00 1.04 H new ATOM 0 HZ1 LYS A 78 -8.800 -7.202 9.776 1.00 1.67 H new ATOM 0 HZ2 LYS A 78 -8.349 -5.717 9.087 1.00 1.67 H new ATOM 0 HZ3 LYS A 78 -8.714 -7.041 8.088 1.00 1.67 H new ATOM 949 N ILE A 79 -4.829 -3.248 3.370 1.00 0.29 N ATOM 950 CA ILE A 79 -3.937 -2.712 2.361 1.00 0.29 C ATOM 951 C ILE A 79 -2.945 -1.754 3.001 1.00 0.29 C ATOM 952 O ILE A 79 -3.286 -1.043 3.940 1.00 0.40 O ATOM 953 CB ILE A 79 -4.744 -1.978 1.262 1.00 0.31 C ATOM 954 CG1 ILE A 79 -5.814 -2.907 0.677 1.00 0.37 C ATOM 955 CG2 ILE A 79 -3.824 -1.463 0.162 1.00 0.35 C ATOM 956 CD1 ILE A 79 -6.742 -2.223 -0.304 1.00 0.49 C ATOM 0 H ILE A 79 -5.359 -2.543 3.882 1.00 0.29 H new ATOM 0 HA ILE A 79 -3.393 -3.538 1.903 1.00 0.29 H new ATOM 0 HB ILE A 79 -5.238 -1.120 1.718 1.00 0.31 H new ATOM 0 HG12 ILE A 79 -5.324 -3.743 0.178 1.00 0.37 H new ATOM 0 HG13 ILE A 79 -6.405 -3.325 1.492 1.00 0.37 H new ATOM 0 HG21 ILE A 79 -4.416 -0.952 -0.597 1.00 0.35 H new ATOM 0 HG22 ILE A 79 -3.101 -0.767 0.588 1.00 0.35 H new ATOM 0 HG23 ILE A 79 -3.296 -2.301 -0.293 1.00 0.35 H new ATOM 0 HD11 ILE A 79 -7.472 -2.942 -0.676 1.00 0.49 H new ATOM 0 HD12 ILE A 79 -7.261 -1.405 0.196 1.00 0.49 H new ATOM 0 HD13 ILE A 79 -6.163 -1.829 -1.139 1.00 0.49 H new ATOM 968 N LEU A 80 -1.717 -1.754 2.521 1.00 0.23 N ATOM 969 CA LEU A 80 -0.719 -0.820 3.009 1.00 0.28 C ATOM 970 C LEU A 80 -0.377 0.166 1.900 1.00 0.30 C ATOM 971 O LEU A 80 -0.015 -0.240 0.799 1.00 0.45 O ATOM 972 CB LEU A 80 0.543 -1.567 3.459 1.00 0.40 C ATOM 973 CG LEU A 80 1.292 -0.964 4.659 1.00 0.57 C ATOM 974 CD1 LEU A 80 2.591 -1.713 4.895 1.00 1.22 C ATOM 975 CD2 LEU A 80 1.570 0.515 4.459 1.00 1.40 C ATOM 0 H LEU A 80 -1.386 -2.389 1.795 1.00 0.23 H new ATOM 0 HA LEU A 80 -1.120 -0.282 3.868 1.00 0.28 H new ATOM 0 HB2 LEU A 80 0.266 -2.592 3.707 1.00 0.40 H new ATOM 0 HB3 LEU A 80 1.231 -1.618 2.615 1.00 0.40 H new ATOM 0 HG LEU A 80 0.653 -1.067 5.536 1.00 0.57 H new ATOM 0 HD11 LEU A 80 3.113 -1.277 5.747 1.00 1.22 H new ATOM 0 HD12 LEU A 80 2.374 -2.761 5.100 1.00 1.22 H new ATOM 0 HD13 LEU A 80 3.220 -1.639 4.008 1.00 1.22 H new ATOM 0 HD21 LEU A 80 2.100 0.906 5.327 1.00 1.40 H new ATOM 0 HD22 LEU A 80 2.182 0.653 3.568 1.00 1.40 H new ATOM 0 HD23 LEU A 80 0.628 1.049 4.338 1.00 1.40 H new ATOM 987 N ILE A 81 -0.518 1.453 2.180 1.00 0.27 N ATOM 988 CA ILE A 81 -0.147 2.479 1.218 1.00 0.27 C ATOM 989 C ILE A 81 1.106 3.206 1.689 1.00 0.27 C ATOM 990 O ILE A 81 1.054 4.016 2.614 1.00 0.33 O ATOM 991 CB ILE A 81 -1.285 3.501 0.980 1.00 0.29 C ATOM 992 CG1 ILE A 81 -2.509 2.802 0.380 1.00 0.28 C ATOM 993 CG2 ILE A 81 -0.812 4.623 0.062 1.00 0.34 C ATOM 994 CD1 ILE A 81 -3.703 3.712 0.180 1.00 0.38 C ATOM 0 H ILE A 81 -0.885 1.810 3.062 1.00 0.27 H new ATOM 0 HA ILE A 81 0.048 1.977 0.270 1.00 0.27 H new ATOM 0 HB ILE A 81 -1.566 3.936 1.939 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -2.232 2.367 -0.580 1.00 0.28 H new ATOM 0 HG13 ILE A 81 -2.799 1.977 1.031 1.00 0.28 H new ATOM 0 HG21 ILE A 81 -1.625 5.332 -0.094 1.00 0.34 H new ATOM 0 HG22 ILE A 81 0.034 5.136 0.520 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.506 4.204 -0.897 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.527 3.142 -0.248 1.00 0.38 H new ATOM 0 HD12 ILE A 81 -4.009 4.127 1.140 1.00 0.38 H new ATOM 0 HD13 ILE A 81 -3.433 4.523 -0.496 1.00 0.38 H new ATOM 1006 N LEU A 82 2.228 2.881 1.071 1.00 0.27 N ATOM 1007 CA LEU A 82 3.489 3.542 1.365 1.00 0.31 C ATOM 1008 C LEU A 82 3.774 4.603 0.318 1.00 0.34 C ATOM 1009 O LEU A 82 3.511 4.402 -0.863 1.00 0.59 O ATOM 1010 CB LEU A 82 4.638 2.533 1.400 1.00 0.43 C ATOM 1011 CG LEU A 82 4.551 1.482 2.505 1.00 0.76 C ATOM 1012 CD1 LEU A 82 5.728 0.529 2.425 1.00 1.61 C ATOM 1013 CD2 LEU A 82 4.501 2.145 3.870 1.00 1.08 C ATOM 0 H LEU A 82 2.292 2.157 0.356 1.00 0.27 H new ATOM 0 HA LEU A 82 3.408 4.011 2.346 1.00 0.31 H new ATOM 0 HB2 LEU A 82 4.680 2.022 0.438 1.00 0.43 H new ATOM 0 HB3 LEU A 82 5.575 3.078 1.513 1.00 0.43 H new ATOM 0 HG LEU A 82 3.633 0.912 2.364 1.00 0.76 H new ATOM 0 HD11 LEU A 82 5.650 -0.213 3.220 1.00 1.61 H new ATOM 0 HD12 LEU A 82 5.724 0.027 1.458 1.00 1.61 H new ATOM 0 HD13 LEU A 82 6.657 1.088 2.540 1.00 1.61 H new ATOM 0 HD21 LEU A 82 4.439 1.380 4.644 1.00 1.08 H new ATOM 0 HD22 LEU A 82 5.402 2.740 4.019 1.00 1.08 H new ATOM 0 HD23 LEU A 82 3.626 2.792 3.928 1.00 1.08 H new ATOM 1025 N LEU A 83 4.299 5.732 0.748 1.00 0.35 N ATOM 1026 CA LEU A 83 4.608 6.819 -0.165 1.00 0.42 C ATOM 1027 C LEU A 83 5.551 7.813 0.484 1.00 0.44 C ATOM 1028 O LEU A 83 5.625 7.893 1.711 1.00 0.55 O ATOM 1029 CB LEU A 83 3.312 7.519 -0.617 1.00 0.45 C ATOM 1030 CG LEU A 83 2.186 7.616 0.428 1.00 0.49 C ATOM 1031 CD1 LEU A 83 2.560 8.541 1.575 1.00 1.17 C ATOM 1032 CD2 LEU A 83 0.898 8.085 -0.230 1.00 1.13 C ATOM 0 H LEU A 83 4.522 5.923 1.725 1.00 0.35 H new ATOM 0 HA LEU A 83 5.104 6.403 -1.042 1.00 0.42 H new ATOM 0 HB2 LEU A 83 3.564 8.528 -0.942 1.00 0.45 H new ATOM 0 HB3 LEU A 83 2.925 6.991 -1.488 1.00 0.45 H new ATOM 0 HG LEU A 83 2.034 6.620 0.844 1.00 0.49 H new ATOM 0 HD11 LEU A 83 1.739 8.583 2.291 1.00 1.17 H new ATOM 0 HD12 LEU A 83 3.455 8.163 2.070 1.00 1.17 H new ATOM 0 HD13 LEU A 83 2.754 9.541 1.187 1.00 1.17 H new ATOM 0 HD21 LEU A 83 0.109 8.150 0.519 1.00 1.13 H new ATOM 0 HD22 LEU A 83 1.055 9.066 -0.678 1.00 1.13 H new ATOM 0 HD23 LEU A 83 0.606 7.376 -1.004 1.00 1.13 H new ATOM 1044 N GLU A 84 6.290 8.554 -0.326 1.00 0.43 N ATOM 1045 CA GLU A 84 7.071 9.654 0.201 1.00 0.45 C ATOM 1046 C GLU A 84 6.272 10.915 -0.064 1.00 0.47 C ATOM 1047 O GLU A 84 6.282 11.455 -1.172 1.00 0.54 O ATOM 1048 CB GLU A 84 8.442 9.702 -0.496 1.00 0.55 C ATOM 1049 CG GLU A 84 9.509 10.517 0.230 1.00 1.29 C ATOM 1050 CD GLU A 84 9.234 12.006 0.236 1.00 1.47 C ATOM 1051 OE1 GLU A 84 9.264 12.630 -0.846 1.00 1.94 O ATOM 1052 OE2 GLU A 84 9.001 12.568 1.327 1.00 2.04 O ATOM 0 H GLU A 84 6.364 8.415 -1.334 1.00 0.43 H new ATOM 0 HA GLU A 84 7.260 9.543 1.269 1.00 0.45 H new ATOM 0 HB2 GLU A 84 8.806 8.682 -0.618 1.00 0.55 H new ATOM 0 HB3 GLU A 84 8.310 10.115 -1.496 1.00 0.55 H new ATOM 0 HG2 GLU A 84 9.585 10.166 1.259 1.00 1.29 H new ATOM 0 HG3 GLU A 84 10.475 10.336 -0.241 1.00 1.29 H new ATOM 1059 N LYS A 85 5.577 11.367 0.963 1.00 0.45 N ATOM 1060 CA LYS A 85 4.632 12.458 0.831 1.00 0.56 C ATOM 1061 C LYS A 85 4.055 12.798 2.195 1.00 0.53 C ATOM 1062 O LYS A 85 3.849 11.900 3.012 1.00 0.53 O ATOM 1063 CB LYS A 85 3.512 12.043 -0.134 1.00 0.74 C ATOM 1064 CG LYS A 85 2.432 13.090 -0.335 1.00 1.00 C ATOM 1065 CD LYS A 85 1.392 12.634 -1.347 1.00 0.91 C ATOM 1066 CE LYS A 85 1.984 12.485 -2.742 1.00 1.66 C ATOM 1067 NZ LYS A 85 2.587 13.753 -3.237 1.00 2.02 N ATOM 0 H LYS A 85 5.651 10.990 1.908 1.00 0.45 H new ATOM 0 HA LYS A 85 5.136 13.339 0.434 1.00 0.56 H new ATOM 0 HB2 LYS A 85 3.954 11.805 -1.102 1.00 0.74 H new ATOM 0 HB3 LYS A 85 3.049 11.129 0.239 1.00 0.74 H new ATOM 0 HG2 LYS A 85 1.946 13.300 0.618 1.00 1.00 H new ATOM 0 HG3 LYS A 85 2.886 14.022 -0.673 1.00 1.00 H new ATOM 0 HD2 LYS A 85 0.969 11.681 -1.029 1.00 0.91 H new ATOM 0 HD3 LYS A 85 0.573 13.353 -1.375 1.00 0.91 H new ATOM 0 HE2 LYS A 85 2.744 11.704 -2.730 1.00 1.66 H new ATOM 0 HE3 LYS A 85 1.205 12.162 -3.432 1.00 1.66 H new ATOM 0 HZ1 LYS A 85 2.281 13.924 -4.216 1.00 2.02 H new ATOM 0 HZ2 LYS A 85 2.278 14.543 -2.635 1.00 2.02 H new ATOM 0 HZ3 LYS A 85 3.624 13.680 -3.206 1.00 2.02 H new ATOM 1081 N PRO A 86 3.798 14.079 2.479 1.00 0.60 N ATOM 1082 CA PRO A 86 3.053 14.457 3.673 1.00 0.62 C ATOM 1083 C PRO A 86 1.567 14.146 3.501 1.00 0.61 C ATOM 1084 O PRO A 86 0.909 14.684 2.603 1.00 0.68 O ATOM 1085 CB PRO A 86 3.288 15.963 3.781 1.00 0.74 C ATOM 1086 CG PRO A 86 3.560 16.408 2.384 1.00 0.85 C ATOM 1087 CD PRO A 86 4.224 15.248 1.690 1.00 0.74 C ATOM 0 HA PRO A 86 3.371 13.916 4.564 1.00 0.62 H new ATOM 0 HB2 PRO A 86 2.417 16.470 4.195 1.00 0.74 H new ATOM 0 HB3 PRO A 86 4.129 16.186 4.438 1.00 0.74 H new ATOM 0 HG2 PRO A 86 2.635 16.686 1.878 1.00 0.85 H new ATOM 0 HG3 PRO A 86 4.205 17.287 2.375 1.00 0.85 H new ATOM 0 HD2 PRO A 86 3.905 15.167 0.651 1.00 0.74 H new ATOM 0 HD3 PRO A 86 5.309 15.353 1.683 1.00 0.74 H new ATOM 1095 N VAL A 87 1.046 13.271 4.346 1.00 0.59 N ATOM 1096 CA VAL A 87 -0.350 12.868 4.260 1.00 0.62 C ATOM 1097 C VAL A 87 -1.028 12.953 5.619 1.00 0.62 C ATOM 1098 O VAL A 87 -0.420 12.673 6.654 1.00 0.66 O ATOM 1099 CB VAL A 87 -0.515 11.434 3.701 1.00 0.69 C ATOM 1100 CG1 VAL A 87 -0.090 11.367 2.243 1.00 1.17 C ATOM 1101 CG2 VAL A 87 0.270 10.428 4.530 1.00 0.88 C ATOM 0 H VAL A 87 1.569 12.825 5.100 1.00 0.59 H new ATOM 0 HA VAL A 87 -0.826 13.563 3.568 1.00 0.62 H new ATOM 0 HB VAL A 87 -1.572 11.175 3.763 1.00 0.69 H new ATOM 0 HG11 VAL A 87 -0.215 10.349 1.874 1.00 1.17 H new ATOM 0 HG12 VAL A 87 -0.706 12.046 1.653 1.00 1.17 H new ATOM 0 HG13 VAL A 87 0.957 11.658 2.155 1.00 1.17 H new ATOM 0 HG21 VAL A 87 0.135 9.430 4.114 1.00 0.88 H new ATOM 0 HG22 VAL A 87 1.328 10.689 4.512 1.00 0.88 H new ATOM 0 HG23 VAL A 87 -0.090 10.444 5.559 1.00 0.88 H new ATOM 1111 N SER A 88 -2.286 13.344 5.602 1.00 0.69 N ATOM 1112 CA SER A 88 -3.071 13.457 6.814 1.00 0.76 C ATOM 1113 C SER A 88 -3.729 12.121 7.139 1.00 0.72 C ATOM 1114 O SER A 88 -4.236 11.435 6.249 1.00 0.69 O ATOM 1115 CB SER A 88 -4.139 14.539 6.635 1.00 0.92 C ATOM 1116 OG SER A 88 -5.000 14.607 7.759 1.00 1.44 O ATOM 0 H SER A 88 -2.791 13.591 4.751 1.00 0.69 H new ATOM 0 HA SER A 88 -2.416 13.733 7.640 1.00 0.76 H new ATOM 0 HB2 SER A 88 -3.658 15.506 6.484 1.00 0.92 H new ATOM 0 HB3 SER A 88 -4.724 14.331 5.739 1.00 0.92 H new ATOM 0 HG SER A 88 -5.670 15.308 7.616 1.00 1.44 H new ATOM 1122 N PRO A 89 -3.711 11.727 8.425 1.00 0.78 N ATOM 1123 CA PRO A 89 -4.426 10.540 8.905 1.00 0.79 C ATOM 1124 C PRO A 89 -5.922 10.616 8.603 1.00 0.67 C ATOM 1125 O PRO A 89 -6.614 9.599 8.573 1.00 0.65 O ATOM 1126 CB PRO A 89 -4.181 10.555 10.418 1.00 0.98 C ATOM 1127 CG PRO A 89 -2.939 11.356 10.593 1.00 1.14 C ATOM 1128 CD PRO A 89 -2.965 12.394 9.508 1.00 0.92 C ATOM 0 HA PRO A 89 -4.078 9.628 8.420 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -5.020 11.004 10.950 1.00 0.98 H new ATOM 0 HB3 PRO A 89 -4.059 9.545 10.809 1.00 0.98 H new ATOM 0 HG2 PRO A 89 -2.909 11.821 11.578 1.00 1.14 H new ATOM 0 HG3 PRO A 89 -2.053 10.727 10.511 1.00 1.14 H new ATOM 0 HD2 PRO A 89 -3.461 13.308 9.836 1.00 0.92 H new ATOM 0 HD3 PRO A 89 -1.960 12.673 9.193 1.00 0.92 H new ATOM 1136 N GLU A 90 -6.413 11.829 8.376 1.00 0.71 N ATOM 1137 CA GLU A 90 -7.796 12.032 7.977 1.00 0.72 C ATOM 1138 C GLU A 90 -7.979 11.564 6.537 1.00 0.64 C ATOM 1139 O GLU A 90 -8.954 10.891 6.201 1.00 0.68 O ATOM 1140 CB GLU A 90 -8.168 13.512 8.101 1.00 0.87 C ATOM 1141 CG GLU A 90 -9.658 13.786 7.970 1.00 1.24 C ATOM 1142 CD GLU A 90 -10.456 13.183 9.106 1.00 1.76 C ATOM 1143 OE1 GLU A 90 -10.489 13.786 10.198 1.00 2.43 O ATOM 1144 OE2 GLU A 90 -11.055 12.105 8.916 1.00 2.37 O ATOM 0 H GLU A 90 -5.870 12.688 8.463 1.00 0.71 H new ATOM 0 HA GLU A 90 -8.449 11.454 8.631 1.00 0.72 H new ATOM 0 HB2 GLU A 90 -7.824 13.883 9.066 1.00 0.87 H new ATOM 0 HB3 GLU A 90 -7.636 14.076 7.335 1.00 0.87 H new ATOM 0 HG2 GLU A 90 -9.826 14.863 7.943 1.00 1.24 H new ATOM 0 HG3 GLU A 90 -10.017 13.383 7.023 1.00 1.24 H new ATOM 1151 N TYR A 91 -7.004 11.903 5.700 1.00 0.62 N ATOM 1152 CA TYR A 91 -7.012 11.518 4.294 1.00 0.62 C ATOM 1153 C TYR A 91 -6.861 10.004 4.166 1.00 0.52 C ATOM 1154 O TYR A 91 -7.389 9.390 3.240 1.00 0.52 O ATOM 1155 CB TYR A 91 -5.883 12.244 3.555 1.00 0.72 C ATOM 1156 CG TYR A 91 -5.897 12.067 2.052 1.00 1.20 C ATOM 1157 CD1 TYR A 91 -4.826 11.473 1.393 1.00 1.63 C ATOM 1158 CD2 TYR A 91 -6.974 12.504 1.291 1.00 2.22 C ATOM 1159 CE1 TYR A 91 -4.830 11.321 0.020 1.00 2.36 C ATOM 1160 CE2 TYR A 91 -6.986 12.352 -0.082 1.00 3.00 C ATOM 1161 CZ TYR A 91 -5.912 11.762 -0.712 1.00 2.89 C ATOM 1162 OH TYR A 91 -5.921 11.612 -2.081 1.00 3.78 O ATOM 0 H TYR A 91 -6.189 12.450 5.976 1.00 0.62 H new ATOM 0 HA TYR A 91 -7.962 11.805 3.844 1.00 0.62 H new ATOM 0 HB2 TYR A 91 -5.943 13.308 3.783 1.00 0.72 H new ATOM 0 HB3 TYR A 91 -4.927 11.889 3.940 1.00 0.72 H new ATOM 0 HD1 TYR A 91 -3.978 11.125 1.964 1.00 1.63 H new ATOM 0 HD2 TYR A 91 -7.816 12.970 1.781 1.00 2.22 H new ATOM 0 HE1 TYR A 91 -3.990 10.859 -0.477 1.00 2.36 H new ATOM 0 HE2 TYR A 91 -7.833 12.694 -0.659 1.00 3.00 H new ATOM 0 HH TYR A 91 -6.756 11.974 -2.444 1.00 3.78 H new ATOM 1172 N GLU A 92 -6.150 9.412 5.119 1.00 0.48 N ATOM 1173 CA GLU A 92 -6.017 7.962 5.203 1.00 0.42 C ATOM 1174 C GLU A 92 -7.389 7.295 5.293 1.00 0.42 C ATOM 1175 O GLU A 92 -7.643 6.279 4.647 1.00 0.43 O ATOM 1176 CB GLU A 92 -5.165 7.588 6.423 1.00 0.48 C ATOM 1177 CG GLU A 92 -5.315 6.137 6.869 1.00 0.49 C ATOM 1178 CD GLU A 92 -4.576 5.840 8.158 1.00 0.65 C ATOM 1179 OE1 GLU A 92 -5.121 6.134 9.245 1.00 1.46 O ATOM 1180 OE2 GLU A 92 -3.449 5.312 8.095 1.00 1.14 O ATOM 0 H GLU A 92 -5.653 9.919 5.851 1.00 0.48 H new ATOM 0 HA GLU A 92 -5.524 7.605 4.298 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -4.117 7.779 6.193 1.00 0.48 H new ATOM 0 HB3 GLU A 92 -5.433 8.241 7.253 1.00 0.48 H new ATOM 0 HG2 GLU A 92 -6.373 5.910 7.001 1.00 0.49 H new ATOM 0 HG3 GLU A 92 -4.944 5.480 6.083 1.00 0.49 H new ATOM 1187 N LYS A 93 -8.283 7.893 6.068 1.00 0.47 N ATOM 1188 CA LYS A 93 -9.604 7.326 6.284 1.00 0.54 C ATOM 1189 C LYS A 93 -10.534 7.671 5.132 1.00 0.53 C ATOM 1190 O LYS A 93 -11.617 7.105 5.009 1.00 0.55 O ATOM 1191 CB LYS A 93 -10.180 7.801 7.618 1.00 0.69 C ATOM 1192 CG LYS A 93 -9.395 7.298 8.821 1.00 1.51 C ATOM 1193 CD LYS A 93 -9.488 5.783 8.959 1.00 2.25 C ATOM 1194 CE LYS A 93 -8.532 5.246 10.017 1.00 2.80 C ATOM 1195 NZ LYS A 93 -8.743 5.883 11.343 1.00 3.25 N ATOM 0 H LYS A 93 -8.116 8.772 6.558 1.00 0.47 H new ATOM 0 HA LYS A 93 -9.511 6.241 6.323 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -10.196 8.891 7.632 1.00 0.69 H new ATOM 0 HB3 LYS A 93 -11.214 7.466 7.700 1.00 0.69 H new ATOM 0 HG2 LYS A 93 -8.350 7.591 8.722 1.00 1.51 H new ATOM 0 HG3 LYS A 93 -9.775 7.770 9.727 1.00 1.51 H new ATOM 0 HD2 LYS A 93 -10.509 5.505 9.219 1.00 2.25 H new ATOM 0 HD3 LYS A 93 -9.265 5.317 7.999 1.00 2.25 H new ATOM 0 HE2 LYS A 93 -8.664 4.168 10.109 1.00 2.80 H new ATOM 0 HE3 LYS A 93 -7.505 5.415 9.695 1.00 2.80 H new ATOM 0 HZ1 LYS A 93 -8.168 5.394 12.058 1.00 3.25 H new ATOM 0 HZ2 LYS A 93 -8.461 6.883 11.296 1.00 3.25 H new ATOM 0 HZ3 LYS A 93 -9.748 5.818 11.603 1.00 3.25 H new ATOM 1209 N LYS A 94 -10.105 8.595 4.281 1.00 0.54 N ATOM 1210 CA LYS A 94 -10.822 8.869 3.047 1.00 0.59 C ATOM 1211 C LYS A 94 -10.561 7.728 2.081 1.00 0.52 C ATOM 1212 O LYS A 94 -11.480 7.177 1.480 1.00 0.57 O ATOM 1213 CB LYS A 94 -10.365 10.192 2.422 1.00 0.67 C ATOM 1214 CG LYS A 94 -10.555 11.402 3.320 1.00 1.19 C ATOM 1215 CD LYS A 94 -12.016 11.623 3.669 1.00 1.48 C ATOM 1216 CE LYS A 94 -12.198 12.871 4.514 1.00 1.97 C ATOM 1217 NZ LYS A 94 -13.611 13.055 4.931 1.00 2.44 N ATOM 0 H LYS A 94 -9.270 9.163 4.423 1.00 0.54 H new ATOM 0 HA LYS A 94 -11.887 8.954 3.263 1.00 0.59 H new ATOM 0 HB2 LYS A 94 -9.311 10.111 2.158 1.00 0.67 H new ATOM 0 HB3 LYS A 94 -10.915 10.352 1.494 1.00 0.67 H new ATOM 0 HG2 LYS A 94 -9.979 11.269 4.236 1.00 1.19 H new ATOM 0 HG3 LYS A 94 -10.162 12.289 2.823 1.00 1.19 H new ATOM 0 HD2 LYS A 94 -12.601 11.712 2.754 1.00 1.48 H new ATOM 0 HD3 LYS A 94 -12.398 10.757 4.209 1.00 1.48 H new ATOM 0 HE2 LYS A 94 -11.564 12.807 5.398 1.00 1.97 H new ATOM 0 HE3 LYS A 94 -11.870 13.743 3.949 1.00 1.97 H new ATOM 0 HZ1 LYS A 94 -13.694 13.918 5.506 1.00 2.44 H new ATOM 0 HZ2 LYS A 94 -14.213 13.142 4.088 1.00 2.44 H new ATOM 0 HZ3 LYS A 94 -13.917 12.234 5.492 1.00 2.44 H new ATOM 1231 N LEU A 95 -9.291 7.365 1.973 1.00 0.47 N ATOM 1232 CA LEU A 95 -8.863 6.254 1.135 1.00 0.45 C ATOM 1233 C LEU A 95 -9.398 4.936 1.679 1.00 0.39 C ATOM 1234 O LEU A 95 -9.806 4.057 0.920 1.00 0.41 O ATOM 1235 CB LEU A 95 -7.332 6.211 1.056 1.00 0.46 C ATOM 1236 CG LEU A 95 -6.690 7.135 0.014 1.00 0.54 C ATOM 1237 CD1 LEU A 95 -7.153 8.572 0.177 1.00 1.14 C ATOM 1238 CD2 LEU A 95 -5.174 7.060 0.103 1.00 1.12 C ATOM 0 H LEU A 95 -8.528 7.832 2.464 1.00 0.47 H new ATOM 0 HA LEU A 95 -9.265 6.402 0.133 1.00 0.45 H new ATOM 0 HB2 LEU A 95 -6.929 6.466 2.036 1.00 0.46 H new ATOM 0 HB3 LEU A 95 -7.027 5.187 0.842 1.00 0.46 H new ATOM 0 HG LEU A 95 -7.009 6.792 -0.970 1.00 0.54 H new ATOM 0 HD11 LEU A 95 -6.676 9.196 -0.579 1.00 1.14 H new ATOM 0 HD12 LEU A 95 -8.235 8.621 0.058 1.00 1.14 H new ATOM 0 HD13 LEU A 95 -6.880 8.932 1.169 1.00 1.14 H new ATOM 0 HD21 LEU A 95 -4.733 7.721 -0.643 1.00 1.12 H new ATOM 0 HD22 LEU A 95 -4.852 7.369 1.098 1.00 1.12 H new ATOM 0 HD23 LEU A 95 -4.849 6.036 -0.082 1.00 1.12 H new ATOM 1250 N GLN A 96 -9.405 4.818 3.002 1.00 0.37 N ATOM 1251 CA GLN A 96 -9.923 3.631 3.669 1.00 0.40 C ATOM 1252 C GLN A 96 -11.434 3.536 3.467 1.00 0.45 C ATOM 1253 O GLN A 96 -12.020 2.461 3.562 1.00 0.49 O ATOM 1254 CB GLN A 96 -9.570 3.679 5.163 1.00 0.53 C ATOM 1255 CG GLN A 96 -9.776 2.367 5.909 1.00 0.60 C ATOM 1256 CD GLN A 96 -11.126 2.278 6.597 1.00 1.30 C ATOM 1257 OE1 GLN A 96 -11.685 3.287 7.025 1.00 1.79 O ATOM 1258 NE2 GLN A 96 -11.657 1.073 6.711 1.00 2.20 N ATOM 0 H GLN A 96 -9.055 5.536 3.637 1.00 0.37 H new ATOM 0 HA GLN A 96 -9.465 2.742 3.235 1.00 0.40 H new ATOM 0 HB2 GLN A 96 -8.528 3.980 5.266 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -10.174 4.451 5.640 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -9.677 1.538 5.208 1.00 0.60 H new ATOM 0 HG3 GLN A 96 -8.988 2.251 6.653 1.00 0.60 H new ATOM 0 HE21 GLN A 96 -11.162 0.261 6.343 1.00 2.20 H new ATOM 0 HE22 GLN A 96 -12.562 0.955 7.167 1.00 2.20 H new ATOM 1267 N LYS A 97 -12.056 4.675 3.194 1.00 0.52 N ATOM 1268 CA LYS A 97 -13.485 4.717 2.906 1.00 0.64 C ATOM 1269 C LYS A 97 -13.775 4.313 1.458 1.00 0.65 C ATOM 1270 O LYS A 97 -14.764 3.631 1.186 1.00 0.72 O ATOM 1271 CB LYS A 97 -14.041 6.119 3.174 1.00 0.78 C ATOM 1272 CG LYS A 97 -15.522 6.262 2.858 1.00 1.44 C ATOM 1273 CD LYS A 97 -15.991 7.696 3.033 1.00 1.95 C ATOM 1274 CE LYS A 97 -17.456 7.850 2.662 1.00 2.39 C ATOM 1275 NZ LYS A 97 -17.913 9.261 2.768 1.00 2.87 N ATOM 0 H LYS A 97 -11.594 5.584 3.166 1.00 0.52 H new ATOM 0 HA LYS A 97 -13.976 4.001 3.565 1.00 0.64 H new ATOM 0 HB2 LYS A 97 -13.876 6.371 4.222 1.00 0.78 H new ATOM 0 HB3 LYS A 97 -13.481 6.842 2.581 1.00 0.78 H new ATOM 0 HG2 LYS A 97 -15.710 5.939 1.834 1.00 1.44 H new ATOM 0 HG3 LYS A 97 -16.099 5.607 3.510 1.00 1.44 H new ATOM 0 HD2 LYS A 97 -15.842 8.005 4.067 1.00 1.95 H new ATOM 0 HD3 LYS A 97 -15.386 8.357 2.412 1.00 1.95 H new ATOM 0 HE2 LYS A 97 -17.611 7.494 1.643 1.00 2.39 H new ATOM 0 HE3 LYS A 97 -18.063 7.222 3.315 1.00 2.39 H new ATOM 0 HZ1 LYS A 97 -18.918 9.321 2.506 1.00 2.87 H new ATOM 0 HZ2 LYS A 97 -17.790 9.593 3.746 1.00 2.87 H new ATOM 0 HZ3 LYS A 97 -17.352 9.857 2.126 1.00 2.87 H new ATOM 1289 N TYR A 98 -12.914 4.737 0.533 1.00 0.63 N ATOM 1290 CA TYR A 98 -13.134 4.489 -0.894 1.00 0.68 C ATOM 1291 C TYR A 98 -13.173 2.995 -1.195 1.00 0.64 C ATOM 1292 O TYR A 98 -14.099 2.506 -1.845 1.00 0.73 O ATOM 1293 CB TYR A 98 -12.050 5.161 -1.746 1.00 0.71 C ATOM 1294 CG TYR A 98 -11.962 6.663 -1.562 1.00 1.02 C ATOM 1295 CD1 TYR A 98 -10.741 7.321 -1.651 1.00 1.91 C ATOM 1296 CD2 TYR A 98 -13.095 7.423 -1.290 1.00 1.78 C ATOM 1297 CE1 TYR A 98 -10.651 8.689 -1.472 1.00 2.65 C ATOM 1298 CE2 TYR A 98 -13.011 8.790 -1.113 1.00 2.50 C ATOM 1299 CZ TYR A 98 -11.789 9.417 -1.203 1.00 2.73 C ATOM 1300 OH TYR A 98 -11.705 10.779 -1.019 1.00 3.64 O ATOM 0 H TYR A 98 -12.060 5.253 0.744 1.00 0.63 H new ATOM 0 HA TYR A 98 -14.101 4.922 -1.151 1.00 0.68 H new ATOM 0 HB2 TYR A 98 -11.084 4.718 -1.502 1.00 0.71 H new ATOM 0 HB3 TYR A 98 -12.243 4.945 -2.797 1.00 0.71 H new ATOM 0 HD1 TYR A 98 -9.847 6.754 -1.864 1.00 1.91 H new ATOM 0 HD2 TYR A 98 -14.056 6.936 -1.216 1.00 1.78 H new ATOM 0 HE1 TYR A 98 -9.694 9.184 -1.543 1.00 2.65 H new ATOM 0 HE2 TYR A 98 -13.901 9.365 -0.905 1.00 2.50 H new ATOM 0 HH TYR A 98 -12.598 11.141 -0.839 1.00 3.64 H new ATOM 1310 N ALA A 99 -12.174 2.276 -0.712 1.00 0.56 N ATOM 1311 CA ALA A 99 -12.120 0.836 -0.897 1.00 0.56 C ATOM 1312 C ALA A 99 -12.654 0.148 0.340 1.00 0.52 C ATOM 1313 O ALA A 99 -12.532 0.678 1.442 1.00 0.60 O ATOM 1314 CB ALA A 99 -10.691 0.389 -1.167 1.00 0.59 C ATOM 0 H ALA A 99 -11.390 2.666 -0.189 1.00 0.56 H new ATOM 0 HA ALA A 99 -12.734 0.565 -1.756 1.00 0.56 H new ATOM 0 HB1 ALA A 99 -10.668 -0.692 -1.303 1.00 0.59 H new ATOM 0 HB2 ALA A 99 -10.322 0.877 -2.069 1.00 0.59 H new ATOM 0 HB3 ALA A 99 -10.059 0.662 -0.322 1.00 0.59 H new ATOM 1320 N ASP A 100 -13.253 -1.020 0.178 1.00 0.54 N ATOM 1321 CA ASP A 100 -13.699 -1.753 1.345 1.00 0.53 C ATOM 1322 C ASP A 100 -12.550 -2.602 1.835 1.00 0.47 C ATOM 1323 O ASP A 100 -12.284 -3.687 1.315 1.00 0.51 O ATOM 1324 CB ASP A 100 -14.912 -2.635 1.033 1.00 0.66 C ATOM 1325 CG ASP A 100 -16.157 -1.837 0.703 1.00 0.99 C ATOM 1326 OD1 ASP A 100 -16.460 -0.866 1.428 1.00 1.77 O ATOM 1327 OD2 ASP A 100 -16.851 -2.189 -0.276 1.00 1.73 O ATOM 0 H ASP A 100 -13.436 -1.468 -0.720 1.00 0.54 H new ATOM 0 HA ASP A 100 -14.009 -1.045 2.113 1.00 0.53 H new ATOM 0 HB2 ASP A 100 -14.673 -3.288 0.194 1.00 0.66 H new ATOM 0 HB3 ASP A 100 -15.116 -3.278 1.889 1.00 0.66 H new ATOM 1332 N ALA A 101 -11.890 -2.091 2.853 1.00 0.42 N ATOM 1333 CA ALA A 101 -10.713 -2.711 3.417 1.00 0.39 C ATOM 1334 C ALA A 101 -10.265 -1.917 4.618 1.00 0.37 C ATOM 1335 O ALA A 101 -10.854 -0.888 4.948 1.00 0.50 O ATOM 1336 CB ALA A 101 -9.594 -2.771 2.382 1.00 0.43 C ATOM 0 H ALA A 101 -12.160 -1.223 3.316 1.00 0.42 H new ATOM 0 HA ALA A 101 -10.953 -3.730 3.720 1.00 0.39 H new ATOM 0 HB1 ALA A 101 -8.715 -3.241 2.823 1.00 0.43 H new ATOM 0 HB2 ALA A 101 -9.924 -3.354 1.523 1.00 0.43 H new ATOM 0 HB3 ALA A 101 -9.342 -1.761 2.060 1.00 0.43 H new ATOM 1342 N GLU A 102 -9.223 -2.382 5.259 1.00 0.31 N ATOM 1343 CA GLU A 102 -8.573 -1.603 6.281 1.00 0.31 C ATOM 1344 C GLU A 102 -7.196 -1.193 5.791 1.00 0.29 C ATOM 1345 O GLU A 102 -6.216 -1.916 5.978 1.00 0.36 O ATOM 1346 CB GLU A 102 -8.467 -2.396 7.576 1.00 0.41 C ATOM 1347 CG GLU A 102 -9.799 -2.918 8.082 1.00 0.76 C ATOM 1348 CD GLU A 102 -9.731 -3.344 9.529 1.00 1.16 C ATOM 1349 OE1 GLU A 102 -10.245 -2.603 10.390 1.00 1.77 O ATOM 1350 OE2 GLU A 102 -9.162 -4.418 9.814 1.00 1.77 O ATOM 0 H GLU A 102 -8.806 -3.298 5.091 1.00 0.31 H new ATOM 0 HA GLU A 102 -9.165 -0.711 6.486 1.00 0.31 H new ATOM 0 HB2 GLU A 102 -7.792 -3.238 7.422 1.00 0.41 H new ATOM 0 HB3 GLU A 102 -8.019 -1.764 8.343 1.00 0.41 H new ATOM 0 HG2 GLU A 102 -10.558 -2.144 7.968 1.00 0.76 H new ATOM 0 HG3 GLU A 102 -10.112 -3.764 7.470 1.00 0.76 H new ATOM 1357 N VAL A 103 -7.129 -0.048 5.127 1.00 0.27 N ATOM 1358 CA VAL A 103 -5.873 0.415 4.575 1.00 0.32 C ATOM 1359 C VAL A 103 -5.096 1.204 5.616 1.00 0.32 C ATOM 1360 O VAL A 103 -5.659 1.983 6.386 1.00 0.38 O ATOM 1361 CB VAL A 103 -6.058 1.261 3.288 1.00 0.44 C ATOM 1362 CG1 VAL A 103 -6.582 2.650 3.596 1.00 0.70 C ATOM 1363 CG2 VAL A 103 -4.754 1.361 2.523 1.00 1.05 C ATOM 0 H VAL A 103 -7.924 0.569 4.961 1.00 0.27 H new ATOM 0 HA VAL A 103 -5.306 -0.473 4.293 1.00 0.32 H new ATOM 0 HB VAL A 103 -6.798 0.751 2.672 1.00 0.44 H new ATOM 0 HG11 VAL A 103 -6.697 3.210 2.668 1.00 0.70 H new ATOM 0 HG12 VAL A 103 -7.548 2.572 4.095 1.00 0.70 H new ATOM 0 HG13 VAL A 103 -5.878 3.168 4.247 1.00 0.70 H new ATOM 0 HG21 VAL A 103 -4.905 1.958 1.624 1.00 1.05 H new ATOM 0 HG22 VAL A 103 -3.999 1.835 3.151 1.00 1.05 H new ATOM 0 HG23 VAL A 103 -4.419 0.362 2.243 1.00 1.05 H new ATOM 1373 N ARG A 104 -3.806 0.959 5.650 1.00 0.33 N ATOM 1374 CA ARG A 104 -2.915 1.635 6.562 1.00 0.37 C ATOM 1375 C ARG A 104 -2.001 2.547 5.758 1.00 0.33 C ATOM 1376 O ARG A 104 -1.051 2.083 5.126 1.00 0.38 O ATOM 1377 CB ARG A 104 -2.108 0.595 7.341 1.00 0.46 C ATOM 1378 CG ARG A 104 -1.357 1.150 8.534 1.00 1.23 C ATOM 1379 CD ARG A 104 -0.627 0.044 9.276 1.00 1.26 C ATOM 1380 NE ARG A 104 0.049 0.533 10.473 1.00 1.50 N ATOM 1381 CZ ARG A 104 1.007 -0.133 11.114 1.00 1.82 C ATOM 1382 NH1 ARG A 104 1.413 -1.321 10.679 1.00 1.78 N ATOM 1383 NH2 ARG A 104 1.552 0.384 12.203 1.00 2.71 N ATOM 0 H ARG A 104 -3.344 0.282 5.043 1.00 0.33 H new ATOM 0 HA ARG A 104 -3.476 2.237 7.277 1.00 0.37 H new ATOM 0 HB2 ARG A 104 -2.784 -0.188 7.685 1.00 0.46 H new ATOM 0 HB3 ARG A 104 -1.394 0.126 6.664 1.00 0.46 H new ATOM 0 HG2 ARG A 104 -0.643 1.903 8.201 1.00 1.23 H new ATOM 0 HG3 ARG A 104 -2.054 1.648 9.208 1.00 1.23 H new ATOM 0 HD2 ARG A 104 -1.338 -0.734 9.555 1.00 1.26 H new ATOM 0 HD3 ARG A 104 0.104 -0.416 8.611 1.00 1.26 H new ATOM 0 HE ARG A 104 -0.230 1.442 10.842 1.00 1.50 H new ATOM 0 HH11 ARG A 104 0.990 -1.731 9.846 1.00 1.78 H new ATOM 0 HH12 ARG A 104 2.148 -1.823 11.178 1.00 1.78 H new ATOM 0 HH21 ARG A 104 1.238 1.291 12.549 1.00 2.71 H new ATOM 0 HH22 ARG A 104 2.286 -0.124 12.696 1.00 2.71 H new ATOM 1397 N VAL A 105 -2.307 3.835 5.747 1.00 0.31 N ATOM 1398 CA VAL A 105 -1.557 4.775 4.934 1.00 0.31 C ATOM 1399 C VAL A 105 -0.333 5.274 5.701 1.00 0.31 C ATOM 1400 O VAL A 105 -0.464 5.997 6.688 1.00 0.41 O ATOM 1401 CB VAL A 105 -2.425 5.974 4.493 1.00 0.39 C ATOM 1402 CG1 VAL A 105 -1.600 6.979 3.700 1.00 0.64 C ATOM 1403 CG2 VAL A 105 -3.609 5.495 3.667 1.00 0.71 C ATOM 0 H VAL A 105 -3.065 4.250 6.289 1.00 0.31 H new ATOM 0 HA VAL A 105 -1.236 4.248 4.036 1.00 0.31 H new ATOM 0 HB VAL A 105 -2.799 6.470 5.388 1.00 0.39 H new ATOM 0 HG11 VAL A 105 -2.233 7.814 3.401 1.00 0.64 H new ATOM 0 HG12 VAL A 105 -0.782 7.348 4.319 1.00 0.64 H new ATOM 0 HG13 VAL A 105 -1.193 6.496 2.812 1.00 0.64 H new ATOM 0 HG21 VAL A 105 -4.211 6.351 3.364 1.00 0.71 H new ATOM 0 HG22 VAL A 105 -3.247 4.974 2.781 1.00 0.71 H new ATOM 0 HG23 VAL A 105 -4.218 4.816 4.264 1.00 0.71 H new ATOM 1413 N ARG A 106 0.852 4.881 5.257 1.00 0.31 N ATOM 1414 CA ARG A 106 2.075 5.210 5.977 1.00 0.35 C ATOM 1415 C ARG A 106 3.049 5.966 5.084 1.00 0.29 C ATOM 1416 O ARG A 106 3.292 5.581 3.939 1.00 0.31 O ATOM 1417 CB ARG A 106 2.748 3.937 6.507 1.00 0.46 C ATOM 1418 CG ARG A 106 1.887 3.125 7.465 1.00 0.79 C ATOM 1419 CD ARG A 106 1.345 3.972 8.609 1.00 0.87 C ATOM 1420 NE ARG A 106 2.395 4.689 9.335 1.00 1.30 N ATOM 1421 CZ ARG A 106 2.205 5.290 10.511 1.00 1.70 C ATOM 1422 NH1 ARG A 106 1.008 5.269 11.088 1.00 1.88 N ATOM 1423 NH2 ARG A 106 3.211 5.925 11.104 1.00 2.63 N ATOM 0 H ARG A 106 0.993 4.337 4.406 1.00 0.31 H new ATOM 0 HA ARG A 106 1.802 5.849 6.817 1.00 0.35 H new ATOM 0 HB2 ARG A 106 3.023 3.307 5.661 1.00 0.46 H new ATOM 0 HB3 ARG A 106 3.673 4.213 7.013 1.00 0.46 H new ATOM 0 HG2 ARG A 106 1.055 2.682 6.917 1.00 0.79 H new ATOM 0 HG3 ARG A 106 2.475 2.302 7.871 1.00 0.79 H new ATOM 0 HD2 ARG A 106 0.628 4.691 8.214 1.00 0.87 H new ATOM 0 HD3 ARG A 106 0.803 3.331 9.304 1.00 0.87 H new ATOM 0 HE ARG A 106 3.325 4.731 8.918 1.00 1.30 H new ATOM 0 HH11 ARG A 106 0.230 4.792 10.632 1.00 1.88 H new ATOM 0 HH12 ARG A 106 0.867 5.730 11.987 1.00 1.88 H new ATOM 0 HH21 ARG A 106 4.129 5.953 10.660 1.00 2.63 H new ATOM 0 HH22 ARG A 106 3.065 6.384 12.003 1.00 2.63 H new ATOM 1437 N THR A 107 3.607 7.042 5.613 1.00 0.34 N ATOM 1438 CA THR A 107 4.596 7.813 4.886 1.00 0.36 C ATOM 1439 C THR A 107 5.992 7.234 5.132 1.00 0.40 C ATOM 1440 O THR A 107 6.321 6.821 6.250 1.00 0.56 O ATOM 1441 CB THR A 107 4.543 9.310 5.288 1.00 0.50 C ATOM 1442 OG1 THR A 107 5.325 10.098 4.383 1.00 0.56 O ATOM 1443 CG2 THR A 107 5.051 9.525 6.707 1.00 0.64 C ATOM 0 H THR A 107 3.391 7.400 6.543 1.00 0.34 H new ATOM 0 HA THR A 107 4.370 7.749 3.821 1.00 0.36 H new ATOM 0 HB THR A 107 3.500 9.623 5.241 1.00 0.50 H new ATOM 0 HG1 THR A 107 4.732 10.663 3.845 1.00 0.56 H new ATOM 0 HG21 THR A 107 5.000 10.585 6.955 1.00 0.64 H new ATOM 0 HG22 THR A 107 4.433 8.959 7.404 1.00 0.64 H new ATOM 0 HG23 THR A 107 6.084 9.185 6.779 1.00 0.64 H new ATOM 1451 N VAL A 108 6.797 7.170 4.082 1.00 0.44 N ATOM 1452 CA VAL A 108 8.141 6.624 4.184 1.00 0.60 C ATOM 1453 C VAL A 108 9.167 7.640 3.711 1.00 0.68 C ATOM 1454 O VAL A 108 8.877 8.485 2.865 1.00 0.86 O ATOM 1455 CB VAL A 108 8.304 5.318 3.372 1.00 0.71 C ATOM 1456 CG1 VAL A 108 7.407 4.228 3.930 1.00 1.34 C ATOM 1457 CG2 VAL A 108 8.012 5.548 1.895 1.00 0.97 C ATOM 0 H VAL A 108 6.542 7.490 3.148 1.00 0.44 H new ATOM 0 HA VAL A 108 8.308 6.392 5.236 1.00 0.60 H new ATOM 0 HB VAL A 108 9.341 4.994 3.462 1.00 0.71 H new ATOM 0 HG11 VAL A 108 7.535 3.317 3.346 1.00 1.34 H new ATOM 0 HG12 VAL A 108 7.674 4.034 4.969 1.00 1.34 H new ATOM 0 HG13 VAL A 108 6.367 4.550 3.876 1.00 1.34 H new ATOM 0 HG21 VAL A 108 8.135 4.612 1.350 1.00 0.97 H new ATOM 0 HG22 VAL A 108 6.989 5.905 1.778 1.00 0.97 H new ATOM 0 HG23 VAL A 108 8.703 6.292 1.499 1.00 0.97 H new ATOM 1467 N THR A 109 10.355 7.566 4.281 1.00 0.68 N ATOM 1468 CA THR A 109 11.423 8.485 3.939 1.00 0.78 C ATOM 1469 C THR A 109 12.619 7.755 3.329 1.00 0.71 C ATOM 1470 O THR A 109 13.370 8.328 2.541 1.00 0.88 O ATOM 1471 CB THR A 109 11.878 9.283 5.177 1.00 0.96 C ATOM 1472 OG1 THR A 109 12.154 8.395 6.272 1.00 1.22 O ATOM 1473 CG2 THR A 109 10.816 10.290 5.598 1.00 1.11 C ATOM 0 H THR A 109 10.605 6.874 4.987 1.00 0.68 H new ATOM 0 HA THR A 109 11.026 9.176 3.195 1.00 0.78 H new ATOM 0 HB THR A 109 12.787 9.822 4.909 1.00 0.96 H new ATOM 0 HG1 THR A 109 11.373 7.827 6.438 1.00 1.22 H new ATOM 0 HG21 THR A 109 11.162 10.839 6.473 1.00 1.11 H new ATOM 0 HG22 THR A 109 10.632 10.988 4.781 1.00 1.11 H new ATOM 0 HG23 THR A 109 9.893 9.765 5.841 1.00 1.11 H new ATOM 1481 N SER A 110 12.795 6.486 3.679 1.00 0.59 N ATOM 1482 CA SER A 110 13.936 5.725 3.192 1.00 0.54 C ATOM 1483 C SER A 110 13.534 4.292 2.827 1.00 0.49 C ATOM 1484 O SER A 110 12.569 3.767 3.384 1.00 0.51 O ATOM 1485 CB SER A 110 15.041 5.723 4.251 1.00 0.62 C ATOM 1486 OG SER A 110 15.377 7.046 4.638 1.00 0.93 O ATOM 0 H SER A 110 12.167 5.967 4.293 1.00 0.59 H new ATOM 0 HA SER A 110 14.309 6.201 2.285 1.00 0.54 H new ATOM 0 HB2 SER A 110 14.713 5.158 5.123 1.00 0.62 H new ATOM 0 HB3 SER A 110 15.925 5.220 3.859 1.00 0.62 H new ATOM 0 HG SER A 110 16.084 7.019 5.316 1.00 0.93 H new ATOM 1492 N PRO A 111 14.246 3.646 1.883 1.00 0.49 N ATOM 1493 CA PRO A 111 13.894 2.298 1.406 1.00 0.49 C ATOM 1494 C PRO A 111 13.738 1.273 2.533 1.00 0.45 C ATOM 1495 O PRO A 111 12.741 0.545 2.576 1.00 0.50 O ATOM 1496 CB PRO A 111 15.058 1.926 0.480 1.00 0.58 C ATOM 1497 CG PRO A 111 15.626 3.229 0.040 1.00 0.60 C ATOM 1498 CD PRO A 111 15.432 4.180 1.190 1.00 0.54 C ATOM 0 HA PRO A 111 12.922 2.294 0.912 1.00 0.49 H new ATOM 0 HB2 PRO A 111 15.803 1.326 1.003 1.00 0.58 H new ATOM 0 HB3 PRO A 111 14.714 1.337 -0.370 1.00 0.58 H new ATOM 0 HG2 PRO A 111 16.683 3.129 -0.209 1.00 0.60 H new ATOM 0 HG3 PRO A 111 15.121 3.592 -0.855 1.00 0.60 H new ATOM 0 HD2 PRO A 111 16.303 4.201 1.844 1.00 0.54 H new ATOM 0 HD3 PRO A 111 15.269 5.200 0.844 1.00 0.54 H new ATOM 1506 N ASP A 112 14.704 1.233 3.452 1.00 0.47 N ATOM 1507 CA ASP A 112 14.656 0.293 4.580 1.00 0.49 C ATOM 1508 C ASP A 112 13.381 0.468 5.379 1.00 0.43 C ATOM 1509 O ASP A 112 12.770 -0.504 5.820 1.00 0.45 O ATOM 1510 CB ASP A 112 15.847 0.485 5.519 1.00 0.60 C ATOM 1511 CG ASP A 112 17.141 -0.054 4.946 1.00 1.16 C ATOM 1512 OD1 ASP A 112 17.394 -1.271 5.083 1.00 1.71 O ATOM 1513 OD2 ASP A 112 17.911 0.728 4.357 1.00 2.04 O ATOM 0 H ASP A 112 15.526 1.836 3.441 1.00 0.47 H new ATOM 0 HA ASP A 112 14.690 -0.710 4.154 1.00 0.49 H new ATOM 0 HB2 ASP A 112 15.965 1.547 5.735 1.00 0.60 H new ATOM 0 HB3 ASP A 112 15.640 -0.012 6.467 1.00 0.60 H new ATOM 1518 N GLU A 113 12.988 1.719 5.553 1.00 0.43 N ATOM 1519 CA GLU A 113 11.801 2.053 6.313 1.00 0.45 C ATOM 1520 C GLU A 113 10.560 1.477 5.638 1.00 0.37 C ATOM 1521 O GLU A 113 9.689 0.914 6.297 1.00 0.40 O ATOM 1522 CB GLU A 113 11.685 3.569 6.436 1.00 0.57 C ATOM 1523 CG GLU A 113 10.634 4.014 7.426 1.00 0.78 C ATOM 1524 CD GLU A 113 10.479 5.517 7.461 1.00 1.46 C ATOM 1525 OE1 GLU A 113 10.155 6.061 8.536 1.00 2.21 O ATOM 1526 OE2 GLU A 113 10.684 6.164 6.416 1.00 2.13 O ATOM 0 H GLU A 113 13.482 2.526 5.172 1.00 0.43 H new ATOM 0 HA GLU A 113 11.880 1.619 7.310 1.00 0.45 H new ATOM 0 HB2 GLU A 113 12.651 3.976 6.735 1.00 0.57 H new ATOM 0 HB3 GLU A 113 11.452 3.988 5.457 1.00 0.57 H new ATOM 0 HG2 GLU A 113 9.678 3.558 7.167 1.00 0.78 H new ATOM 0 HG3 GLU A 113 10.899 3.655 8.420 1.00 0.78 H new ATOM 1533 N ALA A 114 10.502 1.605 4.317 1.00 0.37 N ATOM 1534 CA ALA A 114 9.392 1.067 3.541 1.00 0.39 C ATOM 1535 C ALA A 114 9.320 -0.448 3.691 1.00 0.36 C ATOM 1536 O ALA A 114 8.247 -1.011 3.913 1.00 0.38 O ATOM 1537 CB ALA A 114 9.533 1.452 2.075 1.00 0.48 C ATOM 0 H ALA A 114 11.213 2.078 3.760 1.00 0.37 H new ATOM 0 HA ALA A 114 8.465 1.494 3.923 1.00 0.39 H new ATOM 0 HB1 ALA A 114 8.696 1.042 1.509 1.00 0.48 H new ATOM 0 HB2 ALA A 114 9.537 2.538 1.983 1.00 0.48 H new ATOM 0 HB3 ALA A 114 10.467 1.051 1.682 1.00 0.48 H new ATOM 1543 N LYS A 115 10.475 -1.097 3.591 1.00 0.38 N ATOM 1544 CA LYS A 115 10.567 -2.546 3.753 1.00 0.45 C ATOM 1545 C LYS A 115 10.091 -2.953 5.140 1.00 0.39 C ATOM 1546 O LYS A 115 9.447 -3.983 5.314 1.00 0.44 O ATOM 1547 CB LYS A 115 12.010 -3.015 3.560 1.00 0.57 C ATOM 1548 CG LYS A 115 12.620 -2.613 2.229 1.00 0.75 C ATOM 1549 CD LYS A 115 14.103 -2.941 2.181 1.00 0.77 C ATOM 1550 CE LYS A 115 14.352 -4.441 2.160 1.00 1.22 C ATOM 1551 NZ LYS A 115 15.803 -4.756 2.096 1.00 1.53 N ATOM 0 H LYS A 115 11.366 -0.640 3.397 1.00 0.38 H new ATOM 0 HA LYS A 115 9.933 -3.013 2.999 1.00 0.45 H new ATOM 0 HB2 LYS A 115 12.623 -2.610 4.365 1.00 0.57 H new ATOM 0 HB3 LYS A 115 12.043 -4.101 3.649 1.00 0.57 H new ATOM 0 HG2 LYS A 115 12.105 -3.129 1.419 1.00 0.75 H new ATOM 0 HG3 LYS A 115 12.476 -1.545 2.068 1.00 0.75 H new ATOM 0 HD2 LYS A 115 14.547 -2.487 1.295 1.00 0.77 H new ATOM 0 HD3 LYS A 115 14.600 -2.503 3.046 1.00 0.77 H new ATOM 0 HE2 LYS A 115 13.920 -4.894 3.052 1.00 1.22 H new ATOM 0 HE3 LYS A 115 13.846 -4.882 1.301 1.00 1.22 H new ATOM 0 HZ1 LYS A 115 15.933 -5.787 2.049 1.00 1.53 H new ATOM 0 HZ2 LYS A 115 16.217 -4.316 1.249 1.00 1.53 H new ATOM 0 HZ3 LYS A 115 16.276 -4.386 2.945 1.00 1.53 H new ATOM 1565 N ARG A 116 10.414 -2.117 6.118 1.00 0.36 N ATOM 1566 CA ARG A 116 10.074 -2.366 7.510 1.00 0.39 C ATOM 1567 C ARG A 116 8.561 -2.405 7.709 1.00 0.35 C ATOM 1568 O ARG A 116 8.039 -3.284 8.401 1.00 0.42 O ATOM 1569 CB ARG A 116 10.699 -1.278 8.378 1.00 0.50 C ATOM 1570 CG ARG A 116 10.523 -1.483 9.870 1.00 1.14 C ATOM 1571 CD ARG A 116 11.257 -0.406 10.643 1.00 1.65 C ATOM 1572 NE ARG A 116 12.673 -0.354 10.280 1.00 2.40 N ATOM 1573 CZ ARG A 116 13.323 0.763 9.952 1.00 3.29 C ATOM 1574 NH1 ARG A 116 12.700 1.937 9.977 1.00 3.61 N ATOM 1575 NH2 ARG A 116 14.599 0.708 9.604 1.00 4.21 N ATOM 0 H ARG A 116 10.921 -1.245 5.966 1.00 0.36 H new ATOM 0 HA ARG A 116 10.468 -3.339 7.802 1.00 0.39 H new ATOM 0 HB2 ARG A 116 11.765 -1.221 8.155 1.00 0.50 H new ATOM 0 HB3 ARG A 116 10.264 -0.317 8.103 1.00 0.50 H new ATOM 0 HG2 ARG A 116 9.463 -1.463 10.123 1.00 1.14 H new ATOM 0 HG3 ARG A 116 10.900 -2.465 10.155 1.00 1.14 H new ATOM 0 HD2 ARG A 116 10.795 0.562 10.448 1.00 1.65 H new ATOM 0 HD3 ARG A 116 11.161 -0.595 11.712 1.00 1.65 H new ATOM 0 HE ARG A 116 13.197 -1.229 10.278 1.00 2.40 H new ATOM 0 HH11 ARG A 116 11.718 1.988 10.248 1.00 3.61 H new ATOM 0 HH12 ARG A 116 13.204 2.787 9.725 1.00 3.61 H new ATOM 0 HH21 ARG A 116 15.085 -0.189 9.587 1.00 4.21 H new ATOM 0 HH22 ARG A 116 15.096 1.562 9.353 1.00 4.21 H new ATOM 1589 N TRP A 117 7.863 -1.450 7.101 1.00 0.31 N ATOM 1590 CA TRP A 117 6.410 -1.403 7.179 1.00 0.32 C ATOM 1591 C TRP A 117 5.797 -2.609 6.481 1.00 0.30 C ATOM 1592 O TRP A 117 4.875 -3.236 7.005 1.00 0.36 O ATOM 1593 CB TRP A 117 5.873 -0.108 6.566 1.00 0.36 C ATOM 1594 CG TRP A 117 6.155 1.104 7.398 1.00 0.40 C ATOM 1595 CD1 TRP A 117 7.077 2.079 7.148 1.00 0.47 C ATOM 1596 CD2 TRP A 117 5.509 1.466 8.620 1.00 0.56 C ATOM 1597 NE1 TRP A 117 7.044 3.026 8.144 1.00 0.53 N ATOM 1598 CE2 TRP A 117 6.088 2.671 9.058 1.00 0.60 C ATOM 1599 CE3 TRP A 117 4.493 0.888 9.388 1.00 0.76 C ATOM 1600 CZ2 TRP A 117 5.686 3.307 10.229 1.00 0.80 C ATOM 1601 CZ3 TRP A 117 4.096 1.520 10.549 1.00 0.98 C ATOM 1602 CH2 TRP A 117 4.690 2.717 10.960 1.00 0.99 C ATOM 0 H TRP A 117 8.281 -0.700 6.550 1.00 0.31 H new ATOM 0 HA TRP A 117 6.128 -1.428 8.232 1.00 0.32 H new ATOM 0 HB2 TRP A 117 6.313 0.028 5.578 1.00 0.36 H new ATOM 0 HB3 TRP A 117 4.796 -0.200 6.425 1.00 0.36 H new ATOM 0 HD1 TRP A 117 7.736 2.103 6.293 1.00 0.47 H new ATOM 0 HE1 TRP A 117 7.634 3.856 8.194 1.00 0.53 H new ATOM 0 HE3 TRP A 117 4.028 -0.036 9.078 1.00 0.76 H new ATOM 0 HZ2 TRP A 117 6.143 4.232 10.549 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 3.313 1.082 11.150 1.00 0.98 H new ATOM 0 HH2 TRP A 117 4.356 3.186 11.874 1.00 0.99 H new ATOM 1613 N ILE A 118 6.320 -2.936 5.305 1.00 0.29 N ATOM 1614 CA ILE A 118 5.859 -4.101 4.557 1.00 0.32 C ATOM 1615 C ILE A 118 6.089 -5.377 5.363 1.00 0.36 C ATOM 1616 O ILE A 118 5.217 -6.242 5.443 1.00 0.40 O ATOM 1617 CB ILE A 118 6.577 -4.222 3.195 1.00 0.41 C ATOM 1618 CG1 ILE A 118 6.312 -2.981 2.340 1.00 0.44 C ATOM 1619 CG2 ILE A 118 6.125 -5.478 2.463 1.00 0.51 C ATOM 1620 CD1 ILE A 118 7.047 -2.983 1.018 1.00 0.57 C ATOM 0 H ILE A 118 7.065 -2.410 4.848 1.00 0.29 H new ATOM 0 HA ILE A 118 4.792 -3.968 4.375 1.00 0.32 H new ATOM 0 HB ILE A 118 7.649 -4.296 3.376 1.00 0.41 H new ATOM 0 HG12 ILE A 118 5.241 -2.904 2.150 1.00 0.44 H new ATOM 0 HG13 ILE A 118 6.600 -2.094 2.904 1.00 0.44 H new ATOM 0 HG21 ILE A 118 6.641 -5.547 1.505 1.00 0.51 H new ATOM 0 HG22 ILE A 118 6.360 -6.355 3.066 1.00 0.51 H new ATOM 0 HG23 ILE A 118 5.049 -5.433 2.293 1.00 0.51 H new ATOM 0 HD11 ILE A 118 6.809 -2.072 0.468 1.00 0.57 H new ATOM 0 HD12 ILE A 118 8.121 -3.028 1.199 1.00 0.57 H new ATOM 0 HD13 ILE A 118 6.741 -3.850 0.433 1.00 0.57 H new ATOM 1632 N LYS A 119 7.269 -5.471 5.965 1.00 0.41 N ATOM 1633 CA LYS A 119 7.633 -6.613 6.794 1.00 0.53 C ATOM 1634 C LYS A 119 6.630 -6.798 7.929 1.00 0.55 C ATOM 1635 O LYS A 119 6.088 -7.888 8.115 1.00 0.67 O ATOM 1636 CB LYS A 119 9.042 -6.415 7.362 1.00 0.63 C ATOM 1637 CG LYS A 119 9.535 -7.570 8.216 1.00 1.09 C ATOM 1638 CD LYS A 119 10.930 -7.299 8.759 1.00 1.34 C ATOM 1639 CE LYS A 119 11.452 -8.469 9.574 1.00 2.05 C ATOM 1640 NZ LYS A 119 11.629 -9.690 8.746 1.00 2.66 N ATOM 0 H LYS A 119 7.997 -4.761 5.893 1.00 0.41 H new ATOM 0 HA LYS A 119 7.619 -7.510 6.175 1.00 0.53 H new ATOM 0 HB2 LYS A 119 9.737 -6.266 6.536 1.00 0.63 H new ATOM 0 HB3 LYS A 119 9.056 -5.504 7.960 1.00 0.63 H new ATOM 0 HG2 LYS A 119 8.845 -7.733 9.044 1.00 1.09 H new ATOM 0 HG3 LYS A 119 9.544 -8.485 7.624 1.00 1.09 H new ATOM 0 HD2 LYS A 119 11.610 -7.100 7.931 1.00 1.34 H new ATOM 0 HD3 LYS A 119 10.911 -6.403 9.379 1.00 1.34 H new ATOM 0 HE2 LYS A 119 12.405 -8.198 10.028 1.00 2.05 H new ATOM 0 HE3 LYS A 119 10.760 -8.681 10.389 1.00 2.05 H new ATOM 0 HZ1 LYS A 119 12.186 -10.391 9.276 1.00 2.66 H new ATOM 0 HZ2 LYS A 119 10.698 -10.091 8.515 1.00 2.66 H new ATOM 0 HZ3 LYS A 119 12.128 -9.444 7.867 1.00 2.66 H new ATOM 1654 N GLU A 120 6.369 -5.718 8.660 1.00 0.51 N ATOM 1655 CA GLU A 120 5.441 -5.750 9.787 1.00 0.63 C ATOM 1656 C GLU A 120 4.041 -6.143 9.323 1.00 0.60 C ATOM 1657 O GLU A 120 3.361 -6.938 9.969 1.00 0.79 O ATOM 1658 CB GLU A 120 5.397 -4.379 10.468 1.00 0.71 C ATOM 1659 CG GLU A 120 4.523 -4.342 11.712 1.00 1.43 C ATOM 1660 CD GLU A 120 4.426 -2.959 12.318 1.00 1.83 C ATOM 1661 OE1 GLU A 120 5.400 -2.513 12.959 1.00 2.48 O ATOM 1662 OE2 GLU A 120 3.371 -2.310 12.169 1.00 2.33 O ATOM 0 H GLU A 120 6.790 -4.804 8.491 1.00 0.51 H new ATOM 0 HA GLU A 120 5.792 -6.496 10.500 1.00 0.63 H new ATOM 0 HB2 GLU A 120 6.411 -4.085 10.738 1.00 0.71 H new ATOM 0 HB3 GLU A 120 5.030 -3.641 9.755 1.00 0.71 H new ATOM 0 HG2 GLU A 120 3.523 -4.694 11.459 1.00 1.43 H new ATOM 0 HG3 GLU A 120 4.925 -5.032 12.454 1.00 1.43 H new ATOM 1669 N PHE A 121 3.634 -5.591 8.189 1.00 0.44 N ATOM 1670 CA PHE A 121 2.305 -5.830 7.645 1.00 0.43 C ATOM 1671 C PHE A 121 2.151 -7.282 7.191 1.00 0.46 C ATOM 1672 O PHE A 121 1.059 -7.850 7.238 1.00 0.54 O ATOM 1673 CB PHE A 121 2.060 -4.874 6.478 1.00 0.38 C ATOM 1674 CG PHE A 121 0.624 -4.774 6.057 1.00 0.43 C ATOM 1675 CD1 PHE A 121 -0.292 -4.103 6.849 1.00 1.37 C ATOM 1676 CD2 PHE A 121 0.196 -5.336 4.866 1.00 1.19 C ATOM 1677 CE1 PHE A 121 -1.612 -3.995 6.462 1.00 1.43 C ATOM 1678 CE2 PHE A 121 -1.123 -5.232 4.476 1.00 1.23 C ATOM 1679 CZ PHE A 121 -2.027 -4.561 5.275 1.00 0.67 C ATOM 0 H PHE A 121 4.211 -4.969 7.623 1.00 0.44 H new ATOM 0 HA PHE A 121 1.565 -5.649 8.425 1.00 0.43 H new ATOM 0 HB2 PHE A 121 2.416 -3.882 6.755 1.00 0.38 H new ATOM 0 HB3 PHE A 121 2.655 -5.200 5.625 1.00 0.38 H new ATOM 0 HD1 PHE A 121 0.030 -3.659 7.780 1.00 1.37 H new ATOM 0 HD2 PHE A 121 0.901 -5.860 4.237 1.00 1.19 H new ATOM 0 HE1 PHE A 121 -2.318 -3.469 7.087 1.00 1.43 H new ATOM 0 HE2 PHE A 121 -1.448 -5.675 3.546 1.00 1.23 H new ATOM 0 HZ PHE A 121 -3.060 -4.479 4.970 1.00 0.67 H new ATOM 1689 N SER A 122 3.251 -7.877 6.755 1.00 0.44 N ATOM 1690 CA SER A 122 3.244 -9.262 6.318 1.00 0.50 C ATOM 1691 C SER A 122 3.186 -10.206 7.519 1.00 0.58 C ATOM 1692 O SER A 122 2.561 -11.267 7.454 1.00 0.80 O ATOM 1693 CB SER A 122 4.489 -9.550 5.471 1.00 0.57 C ATOM 1694 OG SER A 122 4.493 -10.883 4.987 1.00 1.31 O ATOM 0 H SER A 122 4.161 -7.420 6.695 1.00 0.44 H new ATOM 0 HA SER A 122 2.356 -9.431 5.709 1.00 0.50 H new ATOM 0 HB2 SER A 122 4.527 -8.857 4.631 1.00 0.57 H new ATOM 0 HB3 SER A 122 5.384 -9.376 6.068 1.00 0.57 H new ATOM 0 HG SER A 122 5.402 -11.246 5.036 1.00 1.31 H new ATOM 1700 N GLU A 123 3.825 -9.810 8.616 1.00 0.63 N ATOM 1701 CA GLU A 123 3.879 -10.644 9.810 1.00 0.81 C ATOM 1702 C GLU A 123 2.548 -10.634 10.551 1.00 0.92 C ATOM 1703 O GLU A 123 2.030 -11.687 10.925 1.00 1.44 O ATOM 1704 CB GLU A 123 4.995 -10.177 10.748 1.00 1.25 C ATOM 1705 CG GLU A 123 6.371 -10.187 10.110 1.00 1.57 C ATOM 1706 CD GLU A 123 7.475 -9.890 11.100 1.00 1.91 C ATOM 1707 OE1 GLU A 123 8.237 -10.819 11.431 1.00 2.53 O ATOM 1708 OE2 GLU A 123 7.587 -8.734 11.556 1.00 2.37 O ATOM 0 H GLU A 123 4.312 -8.918 8.702 1.00 0.63 H new ATOM 0 HA GLU A 123 4.089 -11.664 9.487 1.00 0.81 H new ATOM 0 HB2 GLU A 123 4.770 -9.167 11.091 1.00 1.25 H new ATOM 0 HB3 GLU A 123 5.008 -10.818 11.630 1.00 1.25 H new ATOM 0 HG2 GLU A 123 6.549 -11.161 9.655 1.00 1.57 H new ATOM 0 HG3 GLU A 123 6.400 -9.450 9.307 1.00 1.57 H new