USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 817 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 99 TYR OH : rot 60:sc= 1.3 USER MOD Set 1.2: A 101 LYS NZ :NH3+ 132:sc= 1.24 (180deg=0.98) USER MOD Set 2.1: A 27 SER OG : rot 72:sc= 1.1 USER MOD Set 2.2: A 58 ASN : amide:sc= -1.07 K(o=0.031,f=-3!) USER MOD Single : A 5 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.09) USER MOD Single : A 12 LYS NZ :NH3+ 158:sc= -0.0748 (180deg=-0.889) USER MOD Single : A 13 ASN : amide:sc= -1.27! K(o=-1.3!,f=-3.7) USER MOD Single : A 14 THR OG1 : rot 88:sc= 1.95 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.54! X(o=-1.5!,f=-1.1) USER MOD Single : A 23 TYR OH : rot 180:sc= -2.65 USER MOD Single : A 24 HIS : no HE2:sc= -5.26! C(o=-5.3!,f=-9.2!) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 30 THR OG1 : rot 124:sc= 1.5 USER MOD Single : A 31 ASN : amide:sc= 0.518 K(o=0.52,f=-0.25) USER MOD Single : A 35 GLN : amide:sc= -2.82! C(o=-2.8!,f=-3.1!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.387 K(o=-0.39,f=-3.3!) USER MOD Single : A 40 LYS NZ :NH3+ 169:sc= -0.0538 (180deg=-0.279) USER MOD Single : A 42 THR OG1 : rot -170:sc= -0.624 USER MOD Single : A 46 LYS NZ :NH3+ 154:sc= 0.424 (180deg=-0.485) USER MOD Single : A 48 LYS NZ :NH3+ 170:sc= -0.036 (180deg=-0.19) USER MOD Single : A 63 GLN : amide:sc= 0.332 K(o=0.33,f=-4.3!) USER MOD Single : A 66 ASN : amide:sc= -1 K(o=-1,f=-2.1!) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 125:sc= 0.13 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 180:sc= -0.141 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 139:sc= 1.05 USER MOD Single : A 95 MET CE :methyl -160:sc= -0.109 (180deg=-0.634) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN :FLIP amide:sc= -0.0344 F(o=-1.3!,f=-0.034) USER MOD Single : A 111 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.1!) USER MOD Single : A 112 LYS NZ :NH3+ -170:sc= 1.28 (180deg=1.19) USER MOD Single : A 115 SER OG : rot 97:sc= 1.99 USER MOD ----------------------------------------------------------------- ATOM 47 N LYS A 5 14.525 -0.533 9.558 1.00 3.56 N ATOM 48 CA LYS A 5 13.839 -1.536 8.748 1.00 3.21 C ATOM 49 C LYS A 5 14.422 -1.509 7.348 1.00 2.60 C ATOM 50 O LYS A 5 15.302 -0.711 7.077 1.00 2.48 O ATOM 51 CB LYS A 5 12.367 -1.227 8.677 1.00 3.31 C ATOM 52 CG LYS A 5 11.608 -1.549 9.954 1.00 3.91 C ATOM 53 CD LYS A 5 10.670 -0.420 10.360 1.00 4.47 C ATOM 54 CE LYS A 5 11.438 0.828 10.764 1.00 5.34 C ATOM 55 NZ LYS A 5 10.555 1.853 11.374 1.00 5.99 N ATOM 0 HA LYS A 5 13.973 -2.520 9.197 1.00 3.21 H new ATOM 0 HB2 LYS A 5 12.238 -0.169 8.446 1.00 3.31 H new ATOM 0 HB3 LYS A 5 11.927 -1.789 7.853 1.00 3.31 H new ATOM 0 HG2 LYS A 5 11.034 -2.465 9.813 1.00 3.91 H new ATOM 0 HG3 LYS A 5 12.317 -1.738 10.760 1.00 3.91 H new ATOM 0 HD2 LYS A 5 10.003 -0.185 9.531 1.00 4.47 H new ATOM 0 HD3 LYS A 5 10.044 -0.747 11.190 1.00 4.47 H new ATOM 0 HE2 LYS A 5 12.222 0.558 11.472 1.00 5.34 H new ATOM 0 HE3 LYS A 5 11.931 1.249 9.888 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 11.136 2.602 11.801 1.00 5.99 H new ATOM 0 HZ2 LYS A 5 9.943 2.265 10.641 1.00 5.99 H new ATOM 0 HZ3 LYS A 5 9.966 1.411 12.108 1.00 5.99 H new ATOM 69 N GLU A 6 14.034 -2.393 6.460 1.00 2.54 N ATOM 70 CA GLU A 6 14.206 -2.018 5.091 1.00 2.10 C ATOM 71 C GLU A 6 12.882 -2.035 4.377 1.00 1.84 C ATOM 72 O GLU A 6 12.672 -2.816 3.448 1.00 2.27 O ATOM 73 CB GLU A 6 15.223 -2.916 4.395 1.00 2.49 C ATOM 74 CG GLU A 6 16.560 -2.882 5.091 1.00 2.96 C ATOM 75 CD GLU A 6 17.674 -3.520 4.291 1.00 3.57 C ATOM 76 OE1 GLU A 6 17.701 -4.764 4.188 1.00 4.01 O ATOM 77 OE2 GLU A 6 18.518 -2.783 3.746 1.00 3.94 O ATOM 0 H GLU A 6 13.627 -3.310 6.645 1.00 2.54 H new ATOM 0 HA GLU A 6 14.599 -1.002 5.060 1.00 2.10 H new ATOM 0 HB2 GLU A 6 14.850 -3.940 4.372 1.00 2.49 H new ATOM 0 HB3 GLU A 6 15.343 -2.597 3.360 1.00 2.49 H new ATOM 0 HG2 GLU A 6 16.824 -1.846 5.304 1.00 2.96 H new ATOM 0 HG3 GLU A 6 16.474 -3.392 6.050 1.00 2.96 H new ATOM 84 N ILE A 7 11.996 -1.149 4.860 1.00 1.34 N ATOM 85 CA ILE A 7 10.843 -0.495 4.199 1.00 1.10 C ATOM 86 C ILE A 7 9.859 -0.009 5.273 1.00 0.99 C ATOM 87 O ILE A 7 10.018 -0.363 6.451 1.00 1.30 O ATOM 88 CB ILE A 7 10.004 -1.277 3.182 1.00 1.29 C ATOM 89 CG1 ILE A 7 9.778 -2.701 3.514 1.00 1.73 C ATOM 90 CG2 ILE A 7 10.631 -1.229 1.867 1.00 1.29 C ATOM 91 CD1 ILE A 7 10.094 -2.908 4.880 1.00 2.00 C ATOM 0 H ILE A 7 12.074 -0.836 5.828 1.00 1.34 H new ATOM 0 HA ILE A 7 11.341 0.277 3.613 1.00 1.10 H new ATOM 0 HB ILE A 7 9.033 -0.783 3.199 1.00 1.29 H new ATOM 0 HG12 ILE A 7 8.740 -2.973 3.321 1.00 1.73 H new ATOM 0 HG13 ILE A 7 10.397 -3.338 2.883 1.00 1.73 H new ATOM 0 HG21 ILE A 7 10.025 -1.788 1.154 1.00 1.29 H new ATOM 0 HG22 ILE A 7 10.712 -0.192 1.540 1.00 1.29 H new ATOM 0 HG23 ILE A 7 11.626 -1.670 1.922 1.00 1.29 H new ATOM 0 HD11 ILE A 7 9.931 -3.955 5.137 1.00 2.00 H new ATOM 0 HD12 ILE A 7 11.138 -2.650 5.055 1.00 2.00 H new ATOM 0 HD13 ILE A 7 9.456 -2.279 5.500 1.00 2.00 H new ATOM 103 N GLU A 8 8.779 0.660 4.851 1.00 0.87 N ATOM 104 CA GLU A 8 7.628 0.883 5.737 1.00 0.93 C ATOM 105 C GLU A 8 6.350 1.102 4.932 1.00 0.86 C ATOM 106 O GLU A 8 6.139 2.181 4.381 1.00 1.29 O ATOM 107 CB GLU A 8 7.869 2.073 6.645 1.00 1.41 C ATOM 108 CG GLU A 8 7.601 1.757 8.095 1.00 1.71 C ATOM 109 CD GLU A 8 7.833 2.941 9.011 1.00 2.31 C ATOM 110 OE1 GLU A 8 7.330 4.045 8.706 1.00 2.70 O ATOM 111 OE2 GLU A 8 8.505 2.776 10.051 1.00 2.71 O ATOM 0 H GLU A 8 8.677 1.052 3.915 1.00 0.87 H new ATOM 0 HA GLU A 8 7.507 -0.011 6.349 1.00 0.93 H new ATOM 0 HB2 GLU A 8 8.900 2.407 6.534 1.00 1.41 H new ATOM 0 HB3 GLU A 8 7.231 2.899 6.333 1.00 1.41 H new ATOM 0 HG2 GLU A 8 6.571 1.417 8.203 1.00 1.71 H new ATOM 0 HG3 GLU A 8 8.243 0.933 8.406 1.00 1.71 H new ATOM 118 N ILE A 9 5.478 0.094 4.927 1.00 0.65 N ATOM 119 CA ILE A 9 4.320 0.053 4.026 1.00 0.68 C ATOM 120 C ILE A 9 3.069 0.593 4.701 1.00 0.53 C ATOM 121 O ILE A 9 2.762 0.204 5.819 1.00 0.68 O ATOM 122 CB ILE A 9 4.047 -1.394 3.553 1.00 0.91 C ATOM 123 CG1 ILE A 9 5.266 -2.285 3.815 1.00 0.93 C ATOM 124 CG2 ILE A 9 3.660 -1.421 2.088 1.00 1.34 C ATOM 125 CD1 ILE A 9 5.668 -3.139 2.646 1.00 1.21 C ATOM 0 H ILE A 9 5.551 -0.715 5.544 1.00 0.65 H new ATOM 0 HA ILE A 9 4.560 0.683 3.169 1.00 0.68 H new ATOM 0 HB ILE A 9 3.208 -1.788 4.127 1.00 0.91 H new ATOM 0 HG12 ILE A 9 6.109 -1.654 4.097 1.00 0.93 H new ATOM 0 HG13 ILE A 9 5.053 -2.931 4.666 1.00 0.93 H new ATOM 0 HG21 ILE A 9 3.473 -2.450 1.780 1.00 1.34 H new ATOM 0 HG22 ILE A 9 2.758 -0.828 1.939 1.00 1.34 H new ATOM 0 HG23 ILE A 9 4.470 -1.005 1.490 1.00 1.34 H new ATOM 0 HD11 ILE A 9 6.538 -3.738 2.915 1.00 1.21 H new ATOM 0 HD12 ILE A 9 4.843 -3.798 2.376 1.00 1.21 H new ATOM 0 HD13 ILE A 9 5.915 -2.501 1.797 1.00 1.21 H new ATOM 137 N VAL A 10 2.336 1.477 4.028 1.00 0.51 N ATOM 138 CA VAL A 10 1.145 2.049 4.635 1.00 0.46 C ATOM 139 C VAL A 10 -0.059 1.999 3.703 1.00 0.41 C ATOM 140 O VAL A 10 0.010 2.390 2.538 1.00 0.44 O ATOM 141 CB VAL A 10 1.385 3.499 5.119 1.00 0.61 C ATOM 142 CG1 VAL A 10 2.341 4.235 4.192 1.00 0.92 C ATOM 143 CG2 VAL A 10 0.064 4.253 5.241 1.00 0.77 C ATOM 0 H VAL A 10 2.542 1.805 3.084 1.00 0.51 H new ATOM 0 HA VAL A 10 0.922 1.430 5.504 1.00 0.46 H new ATOM 0 HB VAL A 10 1.845 3.451 6.106 1.00 0.61 H new ATOM 0 HG11 VAL A 10 2.491 5.251 4.557 1.00 0.92 H new ATOM 0 HG12 VAL A 10 3.298 3.713 4.167 1.00 0.92 H new ATOM 0 HG13 VAL A 10 1.920 4.269 3.187 1.00 0.92 H new ATOM 0 HG21 VAL A 10 0.256 5.270 5.583 1.00 0.77 H new ATOM 0 HG22 VAL A 10 -0.429 4.283 4.269 1.00 0.77 H new ATOM 0 HG23 VAL A 10 -0.580 3.745 5.959 1.00 0.77 H new ATOM 153 N ILE A 11 -1.157 1.495 4.240 1.00 0.40 N ATOM 154 CA ILE A 11 -2.429 1.485 3.563 1.00 0.40 C ATOM 155 C ILE A 11 -3.409 2.328 4.368 1.00 0.44 C ATOM 156 O ILE A 11 -3.476 2.199 5.590 1.00 0.50 O ATOM 157 CB ILE A 11 -2.963 0.037 3.432 1.00 0.47 C ATOM 158 CG1 ILE A 11 -2.061 -0.791 2.532 1.00 0.58 C ATOM 159 CG2 ILE A 11 -4.406 0.001 2.946 1.00 0.53 C ATOM 160 CD1 ILE A 11 -1.771 -0.121 1.232 1.00 0.59 C ATOM 0 H ILE A 11 -1.184 1.078 5.170 1.00 0.40 H new ATOM 0 HA ILE A 11 -2.313 1.896 2.560 1.00 0.40 H new ATOM 0 HB ILE A 11 -2.952 -0.405 4.428 1.00 0.47 H new ATOM 0 HG12 ILE A 11 -1.123 -0.991 3.050 1.00 0.58 H new ATOM 0 HG13 ILE A 11 -2.532 -1.756 2.342 1.00 0.58 H new ATOM 0 HG21 ILE A 11 -4.738 -1.034 2.869 1.00 0.53 H new ATOM 0 HG22 ILE A 11 -5.041 0.534 3.653 1.00 0.53 H new ATOM 0 HG23 ILE A 11 -4.472 0.477 1.968 1.00 0.53 H new ATOM 0 HD11 ILE A 11 -1.123 -0.758 0.631 1.00 0.59 H new ATOM 0 HD12 ILE A 11 -2.704 0.055 0.697 1.00 0.59 H new ATOM 0 HD13 ILE A 11 -1.274 0.831 1.416 1.00 0.59 H new ATOM 172 N LYS A 12 -4.120 3.220 3.704 1.00 0.46 N ATOM 173 CA LYS A 12 -5.145 4.011 4.362 1.00 0.52 C ATOM 174 C LYS A 12 -6.514 3.561 3.893 1.00 0.50 C ATOM 175 O LYS A 12 -6.638 2.858 2.893 1.00 0.62 O ATOM 176 CB LYS A 12 -4.988 5.496 4.047 1.00 0.55 C ATOM 177 CG LYS A 12 -5.175 6.393 5.244 1.00 0.72 C ATOM 178 CD LYS A 12 -5.154 7.861 4.846 1.00 1.32 C ATOM 179 CE LYS A 12 -5.423 8.772 6.034 1.00 1.65 C ATOM 180 NZ LYS A 12 -4.393 8.626 7.095 1.00 2.08 N ATOM 0 H LYS A 12 -4.007 3.416 2.709 1.00 0.46 H new ATOM 0 HA LYS A 12 -5.040 3.865 5.437 1.00 0.52 H new ATOM 0 HB2 LYS A 12 -3.996 5.666 3.628 1.00 0.55 H new ATOM 0 HB3 LYS A 12 -5.710 5.774 3.280 1.00 0.55 H new ATOM 0 HG2 LYS A 12 -6.122 6.160 5.731 1.00 0.72 H new ATOM 0 HG3 LYS A 12 -4.387 6.200 5.972 1.00 0.72 H new ATOM 0 HD2 LYS A 12 -4.185 8.106 4.412 1.00 1.32 H new ATOM 0 HD3 LYS A 12 -5.903 8.039 4.074 1.00 1.32 H new ATOM 0 HE2 LYS A 12 -5.451 9.808 5.697 1.00 1.65 H new ATOM 0 HE3 LYS A 12 -6.405 8.545 6.449 1.00 1.65 H new ATOM 0 HZ1 LYS A 12 -4.382 9.480 7.688 1.00 2.08 H new ATOM 0 HZ2 LYS A 12 -4.616 7.799 7.684 1.00 2.08 H new ATOM 0 HZ3 LYS A 12 -3.459 8.497 6.657 1.00 2.08 H new ATOM 194 N ASN A 13 -7.532 3.977 4.612 1.00 0.55 N ATOM 195 CA ASN A 13 -8.903 3.718 4.227 1.00 0.59 C ATOM 196 C ASN A 13 -9.775 4.850 4.716 1.00 0.58 C ATOM 197 O ASN A 13 -9.706 5.232 5.882 1.00 0.95 O ATOM 198 CB ASN A 13 -9.383 2.382 4.792 1.00 1.01 C ATOM 199 CG ASN A 13 -10.878 2.180 4.642 1.00 2.06 C ATOM 200 OD1 ASN A 13 -11.520 2.727 3.745 1.00 2.81 O ATOM 201 ND2 ASN A 13 -11.441 1.371 5.510 1.00 2.71 N ATOM 0 H ASN A 13 -7.434 4.504 5.480 1.00 0.55 H new ATOM 0 HA ASN A 13 -8.966 3.657 3.141 1.00 0.59 H new ATOM 0 HB2 ASN A 13 -8.859 1.571 4.286 1.00 1.01 H new ATOM 0 HB3 ASN A 13 -9.118 2.324 5.848 1.00 1.01 H new ATOM 0 HD21 ASN A 13 -12.441 1.179 5.454 1.00 2.71 H new ATOM 0 HD22 ASN A 13 -10.878 0.935 6.240 1.00 2.71 H new ATOM 208 N THR A 14 -10.563 5.408 3.814 1.00 0.47 N ATOM 209 CA THR A 14 -11.413 6.533 4.141 1.00 0.74 C ATOM 210 C THR A 14 -12.380 6.879 3.015 1.00 0.54 C ATOM 211 O THR A 14 -12.075 7.678 2.135 1.00 0.70 O ATOM 212 CB THR A 14 -10.570 7.764 4.506 1.00 1.38 C ATOM 213 OG1 THR A 14 -11.367 8.957 4.535 1.00 1.79 O ATOM 214 CG2 THR A 14 -9.457 7.912 3.519 1.00 1.78 C ATOM 0 H THR A 14 -10.630 5.096 2.845 1.00 0.47 H new ATOM 0 HA THR A 14 -12.008 6.235 5.004 1.00 0.74 H new ATOM 0 HB THR A 14 -10.160 7.617 5.505 1.00 1.38 H new ATOM 0 HG1 THR A 14 -11.751 9.072 5.429 1.00 1.79 H new ATOM 0 HG21 THR A 14 -8.857 8.785 3.776 1.00 1.78 H new ATOM 0 HG22 THR A 14 -8.830 7.021 3.542 1.00 1.78 H new ATOM 0 HG23 THR A 14 -9.872 8.038 2.519 1.00 1.78 H new ATOM 222 N LEU A 15 -13.532 6.231 3.018 1.00 0.49 N ATOM 223 CA LEU A 15 -14.607 6.584 2.124 1.00 0.68 C ATOM 224 C LEU A 15 -15.607 7.492 2.818 1.00 0.84 C ATOM 225 O LEU A 15 -16.544 7.996 2.204 1.00 1.18 O ATOM 226 CB LEU A 15 -15.315 5.332 1.617 1.00 0.88 C ATOM 227 CG LEU A 15 -14.555 4.578 0.561 1.00 0.97 C ATOM 228 CD1 LEU A 15 -13.207 4.254 1.045 1.00 0.90 C ATOM 229 CD2 LEU A 15 -15.306 3.345 0.101 1.00 1.39 C ATOM 0 H LEU A 15 -13.742 5.450 3.639 1.00 0.49 H new ATOM 0 HA LEU A 15 -14.177 7.117 1.276 1.00 0.68 H new ATOM 0 HB2 LEU A 15 -15.500 4.666 2.460 1.00 0.88 H new ATOM 0 HB3 LEU A 15 -16.288 5.616 1.215 1.00 0.88 H new ATOM 0 HG LEU A 15 -14.455 5.219 -0.315 1.00 0.97 H new ATOM 0 HD11 LEU A 15 -12.665 3.708 0.273 1.00 0.90 H new ATOM 0 HD12 LEU A 15 -12.674 5.175 1.281 1.00 0.90 H new ATOM 0 HD13 LEU A 15 -13.281 3.638 1.941 1.00 0.90 H new ATOM 0 HD21 LEU A 15 -14.724 2.828 -0.662 1.00 1.39 H new ATOM 0 HD22 LEU A 15 -15.466 2.679 0.949 1.00 1.39 H new ATOM 0 HD23 LEU A 15 -16.269 3.640 -0.315 1.00 1.39 H new ATOM 241 N GLY A 16 -15.388 7.688 4.106 1.00 0.72 N ATOM 242 CA GLY A 16 -16.354 8.383 4.930 1.00 0.87 C ATOM 243 C GLY A 16 -17.262 7.378 5.585 1.00 0.77 C ATOM 244 O GLY A 16 -17.741 6.480 4.900 1.00 1.27 O ATOM 0 H GLY A 16 -14.552 7.376 4.600 1.00 0.72 H new ATOM 0 HA2 GLY A 16 -15.843 8.977 5.688 1.00 0.87 H new ATOM 0 HA3 GLY A 16 -16.937 9.075 4.322 1.00 0.87 H new ATOM 248 N PRO A 17 -17.510 7.521 6.904 1.00 0.67 N ATOM 249 CA PRO A 17 -18.030 6.474 7.791 1.00 0.76 C ATOM 250 C PRO A 17 -18.780 5.327 7.092 1.00 0.88 C ATOM 251 O PRO A 17 -19.688 5.565 6.291 1.00 1.27 O ATOM 252 CB PRO A 17 -18.956 7.270 8.701 1.00 1.02 C ATOM 253 CG PRO A 17 -18.314 8.621 8.816 1.00 1.42 C ATOM 254 CD PRO A 17 -17.351 8.772 7.656 1.00 1.13 C ATOM 0 HA PRO A 17 -17.223 5.940 8.293 1.00 0.76 H new ATOM 0 HB2 PRO A 17 -19.958 7.343 8.279 1.00 1.02 H new ATOM 0 HB3 PRO A 17 -19.055 6.795 9.677 1.00 1.02 H new ATOM 0 HG2 PRO A 17 -19.069 9.407 8.791 1.00 1.42 H new ATOM 0 HG3 PRO A 17 -17.787 8.715 9.766 1.00 1.42 H new ATOM 0 HD2 PRO A 17 -17.595 9.640 7.044 1.00 1.13 H new ATOM 0 HD3 PRO A 17 -16.326 8.903 8.002 1.00 1.13 H new ATOM 262 N SER A 18 -18.410 4.093 7.467 1.00 1.06 N ATOM 263 CA SER A 18 -18.804 2.858 6.768 1.00 1.31 C ATOM 264 C SER A 18 -17.894 2.619 5.557 1.00 1.10 C ATOM 265 O SER A 18 -18.299 2.765 4.406 1.00 1.50 O ATOM 266 CB SER A 18 -20.281 2.865 6.356 1.00 1.75 C ATOM 267 OG SER A 18 -21.126 3.052 7.480 1.00 2.18 O ATOM 0 H SER A 18 -17.818 3.921 8.279 1.00 1.06 H new ATOM 0 HA SER A 18 -18.681 2.033 7.469 1.00 1.31 H new ATOM 0 HB2 SER A 18 -20.455 3.660 5.631 1.00 1.75 H new ATOM 0 HB3 SER A 18 -20.529 1.924 5.864 1.00 1.75 H new ATOM 0 HG SER A 18 -22.062 3.054 7.189 1.00 2.18 H new ATOM 273 N ARG A 19 -16.639 2.287 5.858 1.00 0.81 N ATOM 274 CA ARG A 19 -15.606 2.024 4.866 1.00 0.66 C ATOM 275 C ARG A 19 -14.629 1.016 5.432 1.00 0.64 C ATOM 276 O ARG A 19 -13.947 1.319 6.408 1.00 1.02 O ATOM 277 CB ARG A 19 -14.818 3.301 4.512 1.00 0.68 C ATOM 278 CG ARG A 19 -15.509 4.589 4.856 1.00 1.15 C ATOM 279 CD ARG A 19 -15.159 5.024 6.271 1.00 1.94 C ATOM 280 NE ARG A 19 -15.047 3.899 7.209 1.00 2.51 N ATOM 281 CZ ARG A 19 -15.153 3.995 8.537 1.00 3.32 C ATOM 282 NH1 ARG A 19 -15.338 5.173 9.118 1.00 3.76 N ATOM 283 NH2 ARG A 19 -15.052 2.902 9.284 1.00 3.99 N ATOM 0 H ARG A 19 -16.309 2.192 6.818 1.00 0.81 H new ATOM 0 HA ARG A 19 -16.094 1.650 3.966 1.00 0.66 H new ATOM 0 HB2 ARG A 19 -13.858 3.272 5.028 1.00 0.68 H new ATOM 0 HB3 ARG A 19 -14.606 3.294 3.443 1.00 0.68 H new ATOM 0 HG2 ARG A 19 -15.216 5.365 4.149 1.00 1.15 H new ATOM 0 HG3 ARG A 19 -16.588 4.465 4.765 1.00 1.15 H new ATOM 0 HD2 ARG A 19 -14.216 5.570 6.254 1.00 1.94 H new ATOM 0 HD3 ARG A 19 -15.921 5.715 6.631 1.00 1.94 H new ATOM 0 HE ARG A 19 -14.875 2.974 6.816 1.00 2.51 H new ATOM 0 HH11 ARG A 19 -15.401 6.018 8.550 1.00 3.76 H new ATOM 0 HH12 ARG A 19 -15.418 5.234 10.133 1.00 3.76 H new ATOM 0 HH21 ARG A 19 -14.894 1.996 8.843 1.00 3.99 H new ATOM 0 HH22 ARG A 19 -15.132 2.969 10.299 1.00 3.99 H new ATOM 297 N ILE A 20 -14.577 -0.167 4.844 1.00 0.52 N ATOM 298 CA ILE A 20 -13.618 -1.203 5.247 1.00 0.51 C ATOM 299 C ILE A 20 -13.161 -1.974 4.015 1.00 0.54 C ATOM 300 O ILE A 20 -13.983 -2.330 3.172 1.00 0.76 O ATOM 301 CB ILE A 20 -14.214 -2.236 6.241 1.00 0.65 C ATOM 302 CG1 ILE A 20 -14.911 -1.579 7.409 1.00 0.78 C ATOM 303 CG2 ILE A 20 -13.130 -3.138 6.779 1.00 0.72 C ATOM 304 CD1 ILE A 20 -13.971 -0.924 8.373 1.00 0.83 C ATOM 0 H ILE A 20 -15.191 -0.444 4.078 1.00 0.52 H new ATOM 0 HA ILE A 20 -12.796 -0.684 5.741 1.00 0.51 H new ATOM 0 HB ILE A 20 -14.949 -2.813 5.679 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -15.610 -0.833 7.032 1.00 0.78 H new ATOM 0 HG13 ILE A 20 -15.499 -2.328 7.939 1.00 0.78 H new ATOM 0 HG21 ILE A 20 -13.566 -3.856 7.474 1.00 0.72 H new ATOM 0 HG22 ILE A 20 -12.658 -3.672 5.954 1.00 0.72 H new ATOM 0 HG23 ILE A 20 -12.382 -2.538 7.298 1.00 0.72 H new ATOM 0 HD11 ILE A 20 -14.540 -0.473 9.186 1.00 0.83 H new ATOM 0 HD12 ILE A 20 -13.288 -1.670 8.779 1.00 0.83 H new ATOM 0 HD13 ILE A 20 -13.401 -0.152 7.857 1.00 0.83 H new ATOM 316 N LEU A 21 -11.863 -2.211 3.895 1.00 0.50 N ATOM 317 CA LEU A 21 -11.340 -3.081 2.844 1.00 0.55 C ATOM 318 C LEU A 21 -10.168 -3.897 3.363 1.00 0.52 C ATOM 319 O LEU A 21 -9.429 -3.455 4.244 1.00 0.75 O ATOM 320 CB LEU A 21 -10.946 -2.329 1.542 1.00 0.72 C ATOM 321 CG LEU A 21 -10.435 -0.879 1.662 1.00 1.39 C ATOM 322 CD1 LEU A 21 -11.579 0.078 1.960 1.00 2.23 C ATOM 323 CD2 LEU A 21 -9.334 -0.753 2.707 1.00 2.20 C ATOM 0 H LEU A 21 -11.151 -1.815 4.509 1.00 0.50 H new ATOM 0 HA LEU A 21 -12.159 -3.747 2.570 1.00 0.55 H new ATOM 0 HB2 LEU A 21 -10.174 -2.913 1.041 1.00 0.72 H new ATOM 0 HB3 LEU A 21 -11.816 -2.322 0.886 1.00 0.72 H new ATOM 0 HG LEU A 21 -10.003 -0.606 0.699 1.00 1.39 H new ATOM 0 HD11 LEU A 21 -11.192 1.094 2.040 1.00 2.23 H new ATOM 0 HD12 LEU A 21 -12.312 0.031 1.154 1.00 2.23 H new ATOM 0 HD13 LEU A 21 -12.054 -0.204 2.900 1.00 2.23 H new ATOM 0 HD21 LEU A 21 -9.001 0.283 2.761 1.00 2.20 H new ATOM 0 HD22 LEU A 21 -9.718 -1.062 3.679 1.00 2.20 H new ATOM 0 HD23 LEU A 21 -8.494 -1.390 2.429 1.00 2.20 H new ATOM 335 N GLN A 22 -10.033 -5.098 2.833 1.00 0.47 N ATOM 336 CA GLN A 22 -8.968 -5.999 3.207 1.00 0.47 C ATOM 337 C GLN A 22 -7.860 -5.937 2.165 1.00 0.42 C ATOM 338 O GLN A 22 -8.091 -6.248 1.000 1.00 0.51 O ATOM 339 CB GLN A 22 -9.530 -7.418 3.303 1.00 0.60 C ATOM 340 CG GLN A 22 -8.476 -8.478 3.533 1.00 0.71 C ATOM 341 CD GLN A 22 -8.998 -9.888 3.306 1.00 0.97 C ATOM 342 OE1 GLN A 22 -8.553 -10.839 3.949 1.00 1.69 O ATOM 343 NE2 GLN A 22 -9.929 -10.042 2.374 1.00 1.34 N ATOM 0 H GLN A 22 -10.665 -5.475 2.127 1.00 0.47 H new ATOM 0 HA GLN A 22 -8.554 -5.710 4.173 1.00 0.47 H new ATOM 0 HB2 GLN A 22 -10.255 -7.457 4.116 1.00 0.60 H new ATOM 0 HB3 GLN A 22 -10.069 -7.648 2.384 1.00 0.60 H new ATOM 0 HG2 GLN A 22 -7.633 -8.296 2.866 1.00 0.71 H new ATOM 0 HG3 GLN A 22 -8.100 -8.395 4.553 1.00 0.71 H new ATOM 0 HE21 GLN A 22 -10.275 -9.232 1.860 1.00 1.34 H new ATOM 0 HE22 GLN A 22 -10.299 -10.971 2.171 1.00 1.34 H new ATOM 352 N TYR A 23 -6.671 -5.529 2.571 1.00 0.42 N ATOM 353 CA TYR A 23 -5.559 -5.427 1.641 1.00 0.42 C ATOM 354 C TYR A 23 -4.537 -6.508 1.948 1.00 0.41 C ATOM 355 O TYR A 23 -4.359 -6.900 3.104 1.00 0.49 O ATOM 356 CB TYR A 23 -4.890 -4.049 1.697 1.00 0.52 C ATOM 357 CG TYR A 23 -4.194 -3.796 3.005 1.00 0.50 C ATOM 358 CD1 TYR A 23 -4.890 -3.386 4.128 1.00 0.54 C ATOM 359 CD2 TYR A 23 -2.831 -3.992 3.109 1.00 0.58 C ATOM 360 CE1 TYR A 23 -4.237 -3.176 5.329 1.00 0.61 C ATOM 361 CE2 TYR A 23 -2.169 -3.785 4.298 1.00 0.63 C ATOM 362 CZ TYR A 23 -2.873 -3.378 5.406 1.00 0.63 C ATOM 363 OH TYR A 23 -2.208 -3.178 6.593 1.00 0.74 O ATOM 0 H TYR A 23 -6.451 -5.264 3.531 1.00 0.42 H new ATOM 0 HA TYR A 23 -5.953 -5.561 0.634 1.00 0.42 H new ATOM 0 HB2 TYR A 23 -4.169 -3.966 0.884 1.00 0.52 H new ATOM 0 HB3 TYR A 23 -5.642 -3.277 1.535 1.00 0.52 H new ATOM 0 HD1 TYR A 23 -5.957 -3.228 4.066 1.00 0.54 H new ATOM 0 HD2 TYR A 23 -2.274 -4.314 2.241 1.00 0.58 H new ATOM 0 HE1 TYR A 23 -4.790 -2.856 6.200 1.00 0.61 H new ATOM 0 HE2 TYR A 23 -1.102 -3.942 4.360 1.00 0.63 H new ATOM 0 HH TYR A 23 -1.254 -3.367 6.469 1.00 0.74 H new ATOM 373 N HIS A 24 -3.892 -7.005 0.915 1.00 0.50 N ATOM 374 CA HIS A 24 -2.820 -7.960 1.082 1.00 0.57 C ATOM 375 C HIS A 24 -1.560 -7.465 0.407 1.00 0.60 C ATOM 376 O HIS A 24 -1.478 -7.445 -0.814 1.00 0.58 O ATOM 377 CB HIS A 24 -3.196 -9.320 0.508 1.00 0.61 C ATOM 378 CG HIS A 24 -2.136 -10.359 0.720 1.00 0.71 C ATOM 379 ND1 HIS A 24 -1.054 -10.172 1.560 1.00 0.75 N ATOM 380 CD2 HIS A 24 -1.994 -11.598 0.199 1.00 0.85 C ATOM 381 CE1 HIS A 24 -0.297 -11.252 1.540 1.00 0.88 C ATOM 382 NE2 HIS A 24 -0.843 -12.134 0.725 1.00 0.94 N ATOM 0 H HIS A 24 -4.094 -6.761 -0.055 1.00 0.50 H new ATOM 0 HA HIS A 24 -2.643 -8.068 2.152 1.00 0.57 H new ATOM 0 HB2 HIS A 24 -4.125 -9.658 0.967 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -3.388 -9.217 -0.560 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -0.870 -9.332 2.108 1.00 0.75 H new ATOM 0 HD2 HIS A 24 -2.662 -12.078 -0.501 1.00 0.85 H new ATOM 0 HE1 HIS A 24 0.617 -11.391 2.098 1.00 0.88 H new ATOM 391 N CYS A 25 -0.581 -7.078 1.197 1.00 0.71 N ATOM 392 CA CYS A 25 0.690 -6.665 0.647 1.00 0.74 C ATOM 393 C CYS A 25 1.636 -7.851 0.525 1.00 0.91 C ATOM 394 O CYS A 25 2.213 -8.316 1.506 1.00 1.01 O ATOM 395 CB CYS A 25 1.301 -5.542 1.484 1.00 0.79 C ATOM 396 SG CYS A 25 0.207 -4.094 1.679 1.00 1.12 S ATOM 0 H CYS A 25 -0.641 -7.041 2.215 1.00 0.71 H new ATOM 0 HA CYS A 25 0.522 -6.274 -0.357 1.00 0.74 H new ATOM 0 HB2 CYS A 25 1.553 -5.932 2.470 1.00 0.79 H new ATOM 0 HB3 CYS A 25 2.234 -5.222 1.020 1.00 0.79 H new ATOM 401 N ARG A 26 1.720 -8.375 -0.689 1.00 1.14 N ATOM 402 CA ARG A 26 2.652 -9.434 -1.034 1.00 1.38 C ATOM 403 C ARG A 26 2.994 -9.338 -2.511 1.00 1.87 C ATOM 404 O ARG A 26 2.101 -9.400 -3.342 1.00 2.24 O ATOM 405 CB ARG A 26 2.037 -10.797 -0.839 1.00 1.45 C ATOM 406 CG ARG A 26 3.043 -11.934 -0.866 1.00 2.13 C ATOM 407 CD ARG A 26 2.364 -13.280 -1.072 1.00 2.66 C ATOM 408 NE ARG A 26 1.755 -13.387 -2.397 1.00 3.26 N ATOM 409 CZ ARG A 26 0.938 -14.371 -2.771 1.00 4.00 C ATOM 410 NH1 ARG A 26 0.623 -15.346 -1.926 1.00 4.21 N ATOM 411 NH2 ARG A 26 0.441 -14.377 -3.998 1.00 4.86 N ATOM 0 H ARG A 26 1.136 -8.073 -1.469 1.00 1.14 H new ATOM 0 HA ARG A 26 3.525 -9.316 -0.393 1.00 1.38 H new ATOM 0 HB2 ARG A 26 1.509 -10.814 0.115 1.00 1.45 H new ATOM 0 HB3 ARG A 26 1.293 -10.964 -1.618 1.00 1.45 H new ATOM 0 HG2 ARG A 26 3.764 -11.764 -1.666 1.00 2.13 H new ATOM 0 HG3 ARG A 26 3.602 -11.948 0.069 1.00 2.13 H new ATOM 0 HD2 ARG A 26 3.095 -14.079 -0.943 1.00 2.66 H new ATOM 0 HD3 ARG A 26 1.599 -13.421 -0.308 1.00 2.66 H new ATOM 0 HE ARG A 26 1.970 -12.661 -3.080 1.00 3.26 H new ATOM 0 HH11 ARG A 26 1.007 -15.346 -0.981 1.00 4.21 H new ATOM 0 HH12 ARG A 26 -0.003 -16.095 -2.222 1.00 4.21 H new ATOM 0 HH21 ARG A 26 0.684 -13.632 -4.650 1.00 4.86 H new ATOM 0 HH22 ARG A 26 -0.185 -15.127 -4.291 1.00 4.86 H new ATOM 425 N SER A 27 4.241 -9.097 -2.811 1.00 2.10 N ATOM 426 CA SER A 27 4.812 -9.308 -4.153 1.00 2.66 C ATOM 427 C SER A 27 6.285 -8.973 -4.149 1.00 2.39 C ATOM 428 O SER A 27 6.649 -7.840 -4.429 1.00 2.70 O ATOM 429 CB SER A 27 4.144 -8.470 -5.240 1.00 3.73 C ATOM 430 OG SER A 27 2.922 -9.038 -5.681 1.00 4.43 O ATOM 0 H SER A 27 4.916 -8.742 -2.133 1.00 2.10 H new ATOM 0 HA SER A 27 4.639 -10.359 -4.384 1.00 2.66 H new ATOM 0 HB2 SER A 27 3.959 -7.466 -4.859 1.00 3.73 H new ATOM 0 HB3 SER A 27 4.822 -8.370 -6.087 1.00 3.73 H new ATOM 0 HG SER A 27 2.242 -8.935 -4.983 1.00 4.43 H new ATOM 436 N GLY A 28 7.115 -9.964 -3.946 1.00 2.45 N ATOM 437 CA GLY A 28 8.541 -9.717 -3.788 1.00 2.54 C ATOM 438 C GLY A 28 9.208 -10.733 -2.883 1.00 2.68 C ATOM 439 O GLY A 28 10.135 -10.399 -2.150 1.00 3.22 O ATOM 0 H GLY A 28 6.840 -10.944 -3.885 1.00 2.45 H new ATOM 0 HA2 GLY A 28 9.021 -9.736 -4.767 1.00 2.54 H new ATOM 0 HA3 GLY A 28 8.691 -8.718 -3.380 1.00 2.54 H new ATOM 443 N ASN A 29 8.720 -11.976 -2.936 1.00 2.60 N ATOM 444 CA ASN A 29 9.268 -13.092 -2.154 1.00 2.96 C ATOM 445 C ASN A 29 9.017 -12.930 -0.655 1.00 2.76 C ATOM 446 O ASN A 29 9.370 -13.807 0.138 1.00 3.04 O ATOM 447 CB ASN A 29 10.770 -13.275 -2.414 1.00 3.49 C ATOM 448 CG ASN A 29 11.072 -13.677 -3.844 1.00 4.17 C ATOM 449 OD1 ASN A 29 10.251 -14.303 -4.517 1.00 4.66 O ATOM 450 ND2 ASN A 29 12.256 -13.330 -4.318 1.00 4.63 N ATOM 0 H ASN A 29 7.930 -12.239 -3.525 1.00 2.60 H new ATOM 0 HA ASN A 29 8.740 -13.985 -2.488 1.00 2.96 H new ATOM 0 HB2 ASN A 29 11.290 -12.345 -2.185 1.00 3.49 H new ATOM 0 HB3 ASN A 29 11.162 -14.034 -1.737 1.00 3.49 H new ATOM 0 HD21 ASN A 29 12.517 -13.580 -5.272 1.00 4.63 H new ATOM 0 HD22 ASN A 29 12.909 -12.812 -3.730 1.00 4.63 H new ATOM 457 N THR A 30 8.400 -11.826 -0.269 1.00 2.45 N ATOM 458 CA THR A 30 8.095 -11.568 1.122 1.00 2.33 C ATOM 459 C THR A 30 6.586 -11.518 1.336 1.00 2.07 C ATOM 460 O THR A 30 5.877 -10.761 0.670 1.00 2.10 O ATOM 461 CB THR A 30 8.750 -10.257 1.577 1.00 2.45 C ATOM 462 OG1 THR A 30 8.686 -9.297 0.517 1.00 2.93 O ATOM 463 CG2 THR A 30 10.199 -10.490 1.972 1.00 2.70 C ATOM 0 H THR A 30 8.100 -11.090 -0.908 1.00 2.45 H new ATOM 0 HA THR A 30 8.499 -12.382 1.724 1.00 2.33 H new ATOM 0 HB THR A 30 8.211 -9.880 2.446 1.00 2.45 H new ATOM 0 HG1 THR A 30 8.237 -8.487 0.836 1.00 2.93 H new ATOM 0 HG21 THR A 30 10.645 -9.548 2.291 1.00 2.70 H new ATOM 0 HG22 THR A 30 10.242 -11.208 2.791 1.00 2.70 H new ATOM 0 HG23 THR A 30 10.751 -10.881 1.117 1.00 2.70 H new ATOM 471 N ASN A 31 6.102 -12.328 2.267 1.00 1.97 N ATOM 472 CA ASN A 31 4.668 -12.532 2.424 1.00 1.75 C ATOM 473 C ASN A 31 4.208 -12.405 3.869 1.00 1.78 C ATOM 474 O ASN A 31 4.355 -13.330 4.668 1.00 2.34 O ATOM 475 CB ASN A 31 4.254 -13.897 1.843 1.00 2.09 C ATOM 476 CG ASN A 31 5.241 -15.030 2.123 1.00 2.43 C ATOM 477 OD1 ASN A 31 5.460 -15.889 1.269 1.00 2.89 O ATOM 478 ND2 ASN A 31 5.817 -15.067 3.313 1.00 2.98 N ATOM 0 H ASN A 31 6.679 -12.854 2.924 1.00 1.97 H new ATOM 0 HA ASN A 31 4.172 -11.737 1.867 1.00 1.75 H new ATOM 0 HB2 ASN A 31 3.281 -14.171 2.250 1.00 2.09 H new ATOM 0 HB3 ASN A 31 4.132 -13.797 0.765 1.00 2.09 H new ATOM 0 HD21 ASN A 31 6.463 -15.822 3.544 1.00 2.98 H new ATOM 0 HD22 ASN A 31 5.615 -14.340 4.000 1.00 2.98 H new ATOM 485 N VAL A 32 3.650 -11.245 4.200 1.00 1.39 N ATOM 486 CA VAL A 32 3.019 -11.043 5.503 1.00 1.52 C ATOM 487 C VAL A 32 2.268 -9.711 5.572 1.00 1.38 C ATOM 488 O VAL A 32 2.854 -8.649 5.792 1.00 2.10 O ATOM 489 CB VAL A 32 4.002 -11.186 6.662 1.00 2.13 C ATOM 490 CG1 VAL A 32 5.181 -10.381 6.328 1.00 2.68 C ATOM 491 CG2 VAL A 32 3.385 -10.774 7.991 1.00 2.64 C ATOM 0 H VAL A 32 3.621 -10.431 3.586 1.00 1.39 H new ATOM 0 HA VAL A 32 2.286 -11.843 5.612 1.00 1.52 H new ATOM 0 HB VAL A 32 4.283 -12.231 6.792 1.00 2.13 H new ATOM 0 HG11 VAL A 32 5.912 -10.455 7.133 1.00 2.68 H new ATOM 0 HG12 VAL A 32 5.622 -10.749 5.402 1.00 2.68 H new ATOM 0 HG13 VAL A 32 4.886 -9.339 6.200 1.00 2.68 H new ATOM 0 HG21 VAL A 32 4.121 -10.892 8.786 1.00 2.64 H new ATOM 0 HG22 VAL A 32 3.072 -9.731 7.939 1.00 2.64 H new ATOM 0 HG23 VAL A 32 2.520 -11.403 8.201 1.00 2.64 H new ATOM 501 N GLY A 33 0.961 -9.766 5.368 1.00 1.00 N ATOM 502 CA GLY A 33 0.177 -8.555 5.382 1.00 1.43 C ATOM 503 C GLY A 33 -1.187 -8.717 4.753 1.00 0.99 C ATOM 504 O GLY A 33 -1.388 -8.315 3.609 1.00 1.13 O ATOM 0 H GLY A 33 0.434 -10.622 5.194 1.00 1.00 H new ATOM 0 HA2 GLY A 33 0.057 -8.221 6.412 1.00 1.43 H new ATOM 0 HA3 GLY A 33 0.722 -7.772 4.854 1.00 1.43 H new ATOM 508 N VAL A 34 -2.115 -9.328 5.478 1.00 0.80 N ATOM 509 CA VAL A 34 -3.509 -9.363 5.055 1.00 0.56 C ATOM 510 C VAL A 34 -4.399 -8.880 6.189 1.00 0.63 C ATOM 511 O VAL A 34 -4.543 -9.570 7.198 1.00 1.03 O ATOM 512 CB VAL A 34 -3.994 -10.767 4.659 1.00 0.89 C ATOM 513 CG1 VAL A 34 -5.373 -10.670 4.028 1.00 1.17 C ATOM 514 CG2 VAL A 34 -3.020 -11.438 3.719 1.00 1.06 C ATOM 0 H VAL A 34 -1.928 -9.805 6.360 1.00 0.80 H new ATOM 0 HA VAL A 34 -3.572 -8.719 4.178 1.00 0.56 H new ATOM 0 HB VAL A 34 -4.055 -11.381 5.557 1.00 0.89 H new ATOM 0 HG11 VAL A 34 -5.716 -11.666 3.748 1.00 1.17 H new ATOM 0 HG12 VAL A 34 -6.071 -10.234 4.743 1.00 1.17 H new ATOM 0 HG13 VAL A 34 -5.323 -10.040 3.140 1.00 1.17 H new ATOM 0 HG21 VAL A 34 -3.391 -12.429 3.457 1.00 1.06 H new ATOM 0 HG22 VAL A 34 -2.916 -10.839 2.814 1.00 1.06 H new ATOM 0 HG23 VAL A 34 -2.049 -11.531 4.206 1.00 1.06 H new ATOM 524 N GLN A 35 -4.981 -7.704 6.044 1.00 0.63 N ATOM 525 CA GLN A 35 -5.804 -7.148 7.072 1.00 0.85 C ATOM 526 C GLN A 35 -6.791 -6.142 6.487 1.00 0.70 C ATOM 527 O GLN A 35 -6.512 -5.500 5.477 1.00 0.82 O ATOM 528 CB GLN A 35 -4.900 -6.484 8.100 1.00 1.45 C ATOM 529 CG GLN A 35 -5.662 -5.643 9.072 1.00 2.06 C ATOM 530 CD GLN A 35 -4.884 -5.334 10.332 1.00 2.71 C ATOM 531 OE1 GLN A 35 -4.041 -6.121 10.764 1.00 3.16 O ATOM 532 NE2 GLN A 35 -5.161 -4.191 10.933 1.00 3.28 N ATOM 0 H GLN A 35 -4.890 -7.120 5.212 1.00 0.63 H new ATOM 0 HA GLN A 35 -6.387 -7.936 7.548 1.00 0.85 H new ATOM 0 HB2 GLN A 35 -4.347 -7.251 8.643 1.00 1.45 H new ATOM 0 HB3 GLN A 35 -4.165 -5.865 7.587 1.00 1.45 H new ATOM 0 HG2 GLN A 35 -5.945 -4.708 8.589 1.00 2.06 H new ATOM 0 HG3 GLN A 35 -6.586 -6.156 9.340 1.00 2.06 H new ATOM 0 HE21 GLN A 35 -5.867 -3.567 10.542 1.00 3.28 H new ATOM 0 HE22 GLN A 35 -4.669 -3.932 11.788 1.00 3.28 H new ATOM 541 N TYR A 36 -7.956 -6.050 7.104 1.00 0.78 N ATOM 542 CA TYR A 36 -8.917 -5.013 6.775 1.00 0.73 C ATOM 543 C TYR A 36 -8.614 -3.769 7.589 1.00 0.78 C ATOM 544 O TYR A 36 -8.249 -3.859 8.763 1.00 1.06 O ATOM 545 CB TYR A 36 -10.338 -5.470 7.046 1.00 0.94 C ATOM 546 CG TYR A 36 -10.597 -5.690 8.495 1.00 1.62 C ATOM 547 CD1 TYR A 36 -10.157 -6.833 9.117 1.00 2.09 C ATOM 548 CD2 TYR A 36 -11.291 -4.761 9.223 1.00 2.13 C ATOM 549 CE1 TYR A 36 -10.398 -7.054 10.454 1.00 3.04 C ATOM 550 CE2 TYR A 36 -11.547 -4.956 10.563 1.00 3.13 C ATOM 551 CZ TYR A 36 -11.058 -6.090 11.188 1.00 3.57 C ATOM 552 OH TYR A 36 -11.353 -6.313 12.516 1.00 4.60 O ATOM 0 H TYR A 36 -8.260 -6.686 7.841 1.00 0.78 H new ATOM 0 HA TYR A 36 -8.832 -4.792 5.711 1.00 0.73 H new ATOM 0 HB2 TYR A 36 -11.035 -4.724 6.664 1.00 0.94 H new ATOM 0 HB3 TYR A 36 -10.530 -6.394 6.501 1.00 0.94 H new ATOM 0 HD1 TYR A 36 -9.612 -7.571 8.547 1.00 2.09 H new ATOM 0 HD2 TYR A 36 -11.643 -3.862 8.740 1.00 2.13 H new ATOM 0 HE1 TYR A 36 -10.074 -7.971 10.923 1.00 3.04 H new ATOM 0 HE2 TYR A 36 -12.123 -4.232 11.120 1.00 3.13 H new ATOM 0 HH TYR A 36 -11.818 -5.533 12.883 1.00 4.60 H new ATOM 562 N LEU A 37 -8.753 -2.615 6.979 1.00 0.72 N ATOM 563 CA LEU A 37 -8.519 -1.374 7.687 1.00 0.89 C ATOM 564 C LEU A 37 -9.810 -0.597 7.839 1.00 0.70 C ATOM 565 O LEU A 37 -10.683 -0.657 6.974 1.00 0.61 O ATOM 566 CB LEU A 37 -7.476 -0.523 6.957 1.00 1.23 C ATOM 567 CG LEU A 37 -7.212 0.853 7.578 1.00 1.93 C ATOM 568 CD1 LEU A 37 -6.647 0.721 8.981 1.00 2.72 C ATOM 569 CD2 LEU A 37 -6.272 1.657 6.706 1.00 2.57 C ATOM 0 H LEU A 37 -9.025 -2.507 6.002 1.00 0.72 H new ATOM 0 HA LEU A 37 -8.137 -1.617 8.679 1.00 0.89 H new ATOM 0 HB2 LEU A 37 -6.537 -1.076 6.924 1.00 1.23 H new ATOM 0 HB3 LEU A 37 -7.801 -0.383 5.926 1.00 1.23 H new ATOM 0 HG LEU A 37 -8.164 1.379 7.644 1.00 1.93 H new ATOM 0 HD11 LEU A 37 -6.470 1.713 9.397 1.00 2.72 H new ATOM 0 HD12 LEU A 37 -7.358 0.186 9.611 1.00 2.72 H new ATOM 0 HD13 LEU A 37 -5.707 0.170 8.944 1.00 2.72 H new ATOM 0 HD21 LEU A 37 -6.096 2.631 7.162 1.00 2.57 H new ATOM 0 HD22 LEU A 37 -5.325 1.126 6.606 1.00 2.57 H new ATOM 0 HD23 LEU A 37 -6.717 1.793 5.720 1.00 2.57 H new ATOM 581 N ASN A 38 -9.930 0.104 8.956 1.00 0.78 N ATOM 582 CA ASN A 38 -11.048 0.996 9.194 1.00 0.73 C ATOM 583 C ASN A 38 -10.603 2.424 8.915 1.00 0.68 C ATOM 584 O ASN A 38 -9.407 2.713 8.883 1.00 0.75 O ATOM 585 CB ASN A 38 -11.539 0.894 10.644 1.00 0.94 C ATOM 586 CG ASN A 38 -11.941 -0.513 11.067 1.00 1.62 C ATOM 587 OD1 ASN A 38 -11.368 -1.509 10.622 1.00 2.32 O ATOM 588 ND2 ASN A 38 -12.936 -0.604 11.932 1.00 2.29 N ATOM 0 H ASN A 38 -9.255 0.069 9.720 1.00 0.78 H new ATOM 0 HA ASN A 38 -11.868 0.713 8.535 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -10.752 1.251 11.309 1.00 0.94 H new ATOM 0 HB3 ASN A 38 -12.393 1.559 10.775 1.00 0.94 H new ATOM 0 HD21 ASN A 38 -13.252 -1.520 12.252 1.00 2.29 H new ATOM 0 HD22 ASN A 38 -13.388 0.241 12.280 1.00 2.29 H new ATOM 595 N PHE A 39 -11.556 3.317 8.726 1.00 0.68 N ATOM 596 CA PHE A 39 -11.235 4.702 8.422 1.00 0.72 C ATOM 597 C PHE A 39 -11.001 5.503 9.694 1.00 0.83 C ATOM 598 O PHE A 39 -11.938 5.836 10.424 1.00 1.66 O ATOM 599 CB PHE A 39 -12.335 5.323 7.563 1.00 0.85 C ATOM 600 CG PHE A 39 -12.356 6.836 7.507 1.00 1.07 C ATOM 601 CD1 PHE A 39 -11.165 7.554 7.521 1.00 1.35 C ATOM 602 CD2 PHE A 39 -13.551 7.536 7.417 1.00 1.43 C ATOM 603 CE1 PHE A 39 -11.173 8.933 7.442 1.00 1.80 C ATOM 604 CE2 PHE A 39 -13.560 8.915 7.342 1.00 1.87 C ATOM 605 CZ PHE A 39 -12.419 9.617 7.459 1.00 2.03 C ATOM 0 H PHE A 39 -12.554 3.112 8.777 1.00 0.68 H new ATOM 0 HA PHE A 39 -10.306 4.725 7.852 1.00 0.72 H new ATOM 0 HB2 PHE A 39 -12.234 4.943 6.547 1.00 0.85 H new ATOM 0 HB3 PHE A 39 -13.299 4.979 7.937 1.00 0.85 H new ATOM 0 HD1 PHE A 39 -10.225 7.028 7.594 1.00 1.35 H new ATOM 0 HD2 PHE A 39 -14.486 6.995 7.405 1.00 1.43 H new ATOM 0 HE1 PHE A 39 -10.247 9.483 7.368 1.00 1.80 H new ATOM 0 HE2 PHE A 39 -14.494 9.435 7.188 1.00 1.87 H new ATOM 0 HZ PHE A 39 -12.449 10.691 7.565 1.00 2.03 H new ATOM 615 N LYS A 40 -9.732 5.789 9.944 1.00 0.86 N ATOM 616 CA LYS A 40 -9.326 6.683 11.014 1.00 0.97 C ATOM 617 C LYS A 40 -7.879 7.100 10.805 1.00 0.72 C ATOM 618 O LYS A 40 -7.571 8.285 10.695 1.00 1.17 O ATOM 619 CB LYS A 40 -9.489 6.024 12.380 1.00 1.52 C ATOM 620 CG LYS A 40 -9.191 6.957 13.544 1.00 2.18 C ATOM 621 CD LYS A 40 -9.536 6.316 14.878 1.00 2.89 C ATOM 622 CE LYS A 40 -9.195 7.232 16.042 1.00 3.36 C ATOM 623 NZ LYS A 40 -9.865 8.554 15.928 1.00 3.76 N ATOM 0 H LYS A 40 -8.954 5.406 9.408 1.00 0.86 H new ATOM 0 HA LYS A 40 -9.969 7.563 10.990 1.00 0.97 H new ATOM 0 HB2 LYS A 40 -10.509 5.652 12.475 1.00 1.52 H new ATOM 0 HB3 LYS A 40 -8.827 5.160 12.439 1.00 1.52 H new ATOM 0 HG2 LYS A 40 -8.135 7.228 13.532 1.00 2.18 H new ATOM 0 HG3 LYS A 40 -9.759 7.880 13.426 1.00 2.18 H new ATOM 0 HD2 LYS A 40 -10.599 6.075 14.903 1.00 2.89 H new ATOM 0 HD3 LYS A 40 -8.994 5.376 14.982 1.00 2.89 H new ATOM 0 HE2 LYS A 40 -9.491 6.755 16.977 1.00 3.36 H new ATOM 0 HE3 LYS A 40 -8.115 7.376 16.085 1.00 3.36 H new ATOM 0 HZ1 LYS A 40 -9.759 9.075 16.822 1.00 3.76 H new ATOM 0 HZ2 LYS A 40 -9.430 9.098 15.156 1.00 3.76 H new ATOM 0 HZ3 LYS A 40 -10.876 8.415 15.726 1.00 3.76 H new ATOM 637 N GLY A 41 -6.997 6.113 10.721 1.00 0.71 N ATOM 638 CA GLY A 41 -5.591 6.398 10.545 1.00 1.13 C ATOM 639 C GLY A 41 -4.986 5.665 9.367 1.00 0.94 C ATOM 640 O GLY A 41 -5.425 5.830 8.228 1.00 1.09 O ATOM 0 H GLY A 41 -7.232 5.122 10.772 1.00 0.71 H new ATOM 0 HA2 GLY A 41 -5.457 7.471 10.407 1.00 1.13 H new ATOM 0 HA3 GLY A 41 -5.053 6.124 11.453 1.00 1.13 H new ATOM 644 N THR A 42 -3.977 4.860 9.646 1.00 0.82 N ATOM 645 CA THR A 42 -3.251 4.119 8.626 1.00 0.68 C ATOM 646 C THR A 42 -2.947 2.707 9.108 1.00 0.65 C ATOM 647 O THR A 42 -3.123 2.391 10.287 1.00 0.75 O ATOM 648 CB THR A 42 -1.944 4.843 8.271 1.00 0.69 C ATOM 649 OG1 THR A 42 -1.450 5.553 9.414 1.00 0.81 O ATOM 650 CG2 THR A 42 -2.160 5.807 7.119 1.00 0.71 C ATOM 0 H THR A 42 -3.634 4.700 10.593 1.00 0.82 H new ATOM 0 HA THR A 42 -3.876 4.058 7.735 1.00 0.68 H new ATOM 0 HB THR A 42 -1.210 4.097 7.966 1.00 0.69 H new ATOM 0 HG1 THR A 42 -0.710 6.135 9.143 1.00 0.81 H new ATOM 0 HG21 THR A 42 -1.222 6.309 6.884 1.00 0.71 H new ATOM 0 HG22 THR A 42 -2.506 5.257 6.244 1.00 0.71 H new ATOM 0 HG23 THR A 42 -2.908 6.549 7.400 1.00 0.71 H new ATOM 658 N ARG A 43 -2.505 1.859 8.197 1.00 0.58 N ATOM 659 CA ARG A 43 -2.146 0.494 8.527 1.00 0.58 C ATOM 660 C ARG A 43 -0.743 0.247 8.021 1.00 0.52 C ATOM 661 O ARG A 43 -0.525 0.163 6.812 1.00 0.50 O ATOM 662 CB ARG A 43 -3.123 -0.492 7.891 1.00 0.67 C ATOM 663 CG ARG A 43 -3.831 -1.401 8.891 1.00 0.86 C ATOM 664 CD ARG A 43 -2.885 -2.415 9.522 1.00 1.27 C ATOM 665 NE ARG A 43 -2.028 -1.828 10.550 1.00 1.59 N ATOM 666 CZ ARG A 43 -0.860 -2.347 10.925 1.00 2.26 C ATOM 667 NH1 ARG A 43 -0.395 -3.445 10.339 1.00 2.74 N ATOM 668 NH2 ARG A 43 -0.159 -1.769 11.891 1.00 3.01 N ATOM 0 H ARG A 43 -2.386 2.097 7.212 1.00 0.58 H new ATOM 0 HA ARG A 43 -2.191 0.348 9.606 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -3.872 0.066 7.330 1.00 0.67 H new ATOM 0 HB3 ARG A 43 -2.583 -1.110 7.174 1.00 0.67 H new ATOM 0 HG2 ARG A 43 -4.283 -0.793 9.674 1.00 0.86 H new ATOM 0 HG3 ARG A 43 -4.642 -1.928 8.389 1.00 0.86 H new ATOM 0 HD2 ARG A 43 -3.468 -3.225 9.961 1.00 1.27 H new ATOM 0 HD3 ARG A 43 -2.262 -2.856 8.744 1.00 1.27 H new ATOM 0 HE ARG A 43 -2.342 -0.972 11.007 1.00 1.59 H new ATOM 0 HH11 ARG A 43 -0.933 -3.895 9.598 1.00 2.74 H new ATOM 0 HH12 ARG A 43 0.500 -3.838 10.630 1.00 2.74 H new ATOM 0 HH21 ARG A 43 -0.514 -0.928 12.346 1.00 3.01 H new ATOM 0 HH22 ARG A 43 0.736 -2.165 12.179 1.00 3.01 H new ATOM 682 N ILE A 44 0.208 0.148 8.932 1.00 0.52 N ATOM 683 CA ILE A 44 1.597 0.161 8.533 1.00 0.51 C ATOM 684 C ILE A 44 2.312 -1.146 8.796 1.00 0.58 C ATOM 685 O ILE A 44 2.403 -1.633 9.926 1.00 0.66 O ATOM 686 CB ILE A 44 2.381 1.317 9.174 1.00 0.53 C ATOM 687 CG1 ILE A 44 1.765 2.645 8.769 1.00 0.56 C ATOM 688 CG2 ILE A 44 3.828 1.282 8.724 1.00 0.59 C ATOM 689 CD1 ILE A 44 0.680 3.142 9.700 1.00 0.61 C ATOM 0 H ILE A 44 0.046 0.059 9.935 1.00 0.52 H new ATOM 0 HA ILE A 44 1.570 0.311 7.454 1.00 0.51 H new ATOM 0 HB ILE A 44 2.338 1.208 10.258 1.00 0.53 H new ATOM 0 HG12 ILE A 44 2.553 3.396 8.716 1.00 0.56 H new ATOM 0 HG13 ILE A 44 1.350 2.548 7.766 1.00 0.56 H new ATOM 0 HG21 ILE A 44 4.372 2.106 9.185 1.00 0.59 H new ATOM 0 HG22 ILE A 44 4.279 0.336 9.024 1.00 0.59 H new ATOM 0 HG23 ILE A 44 3.874 1.379 7.639 1.00 0.59 H new ATOM 0 HD11 ILE A 44 0.296 4.095 9.336 1.00 0.61 H new ATOM 0 HD12 ILE A 44 -0.131 2.414 9.735 1.00 0.61 H new ATOM 0 HD13 ILE A 44 1.092 3.275 10.700 1.00 0.61 H new ATOM 701 N ILE A 45 2.806 -1.690 7.710 1.00 0.61 N ATOM 702 CA ILE A 45 3.665 -2.842 7.712 1.00 0.74 C ATOM 703 C ILE A 45 5.113 -2.409 7.773 1.00 0.77 C ATOM 704 O ILE A 45 5.442 -1.278 7.418 1.00 0.79 O ATOM 705 CB ILE A 45 3.451 -3.616 6.444 1.00 0.95 C ATOM 706 CG1 ILE A 45 2.026 -4.002 6.357 1.00 1.11 C ATOM 707 CG2 ILE A 45 4.327 -4.850 6.345 1.00 1.62 C ATOM 708 CD1 ILE A 45 1.708 -4.545 5.012 1.00 1.20 C ATOM 0 H ILE A 45 2.614 -1.330 6.775 1.00 0.61 H new ATOM 0 HA ILE A 45 3.431 -3.458 8.580 1.00 0.74 H new ATOM 0 HB ILE A 45 3.732 -2.971 5.612 1.00 0.95 H new ATOM 0 HG12 ILE A 45 1.800 -4.748 7.118 1.00 1.11 H new ATOM 0 HG13 ILE A 45 1.397 -3.136 6.563 1.00 1.11 H new ATOM 0 HG21 ILE A 45 4.125 -5.365 5.406 1.00 1.62 H new ATOM 0 HG22 ILE A 45 5.376 -4.555 6.378 1.00 1.62 H new ATOM 0 HG23 ILE A 45 4.111 -5.517 7.179 1.00 1.62 H new ATOM 0 HD11 ILE A 45 0.655 -4.822 4.971 1.00 1.20 H new ATOM 0 HD12 ILE A 45 1.913 -3.787 4.256 1.00 1.20 H new ATOM 0 HD13 ILE A 45 2.322 -5.425 4.820 1.00 1.20 H new ATOM 720 N LYS A 46 5.977 -3.305 8.178 1.00 0.90 N ATOM 721 CA LYS A 46 7.389 -3.005 8.177 1.00 0.97 C ATOM 722 C LYS A 46 8.205 -4.283 8.086 1.00 1.10 C ATOM 723 O LYS A 46 7.757 -5.344 8.519 1.00 1.20 O ATOM 724 CB LYS A 46 7.794 -2.182 9.410 1.00 1.10 C ATOM 725 CG LYS A 46 7.973 -2.980 10.704 1.00 1.35 C ATOM 726 CD LYS A 46 6.697 -3.080 11.533 1.00 1.85 C ATOM 727 CE LYS A 46 5.808 -4.239 11.103 1.00 2.11 C ATOM 728 NZ LYS A 46 6.504 -5.552 11.198 1.00 2.65 N ATOM 0 H LYS A 46 5.733 -4.238 8.509 1.00 0.90 H new ATOM 0 HA LYS A 46 7.599 -2.397 7.297 1.00 0.97 H new ATOM 0 HB2 LYS A 46 8.728 -1.666 9.190 1.00 1.10 H new ATOM 0 HB3 LYS A 46 7.038 -1.415 9.578 1.00 1.10 H new ATOM 0 HG2 LYS A 46 8.318 -3.984 10.458 1.00 1.35 H new ATOM 0 HG3 LYS A 46 8.753 -2.513 11.305 1.00 1.35 H new ATOM 0 HD2 LYS A 46 6.960 -3.199 12.584 1.00 1.85 H new ATOM 0 HD3 LYS A 46 6.139 -2.148 11.448 1.00 1.85 H new ATOM 0 HE2 LYS A 46 4.914 -4.259 11.726 1.00 2.11 H new ATOM 0 HE3 LYS A 46 5.478 -4.079 10.077 1.00 2.11 H new ATOM 0 HZ1 LYS A 46 5.802 -6.308 11.333 1.00 2.65 H new ATOM 0 HZ2 LYS A 46 7.037 -5.726 10.322 1.00 2.65 H new ATOM 0 HZ3 LYS A 46 7.159 -5.540 12.006 1.00 2.65 H new ATOM 742 N PHE A 47 9.408 -4.160 7.546 1.00 1.20 N ATOM 743 CA PHE A 47 10.248 -5.314 7.217 1.00 1.41 C ATOM 744 C PHE A 47 11.650 -4.792 6.988 1.00 1.59 C ATOM 745 O PHE A 47 11.837 -3.581 7.010 1.00 1.68 O ATOM 746 CB PHE A 47 9.723 -6.052 5.977 1.00 1.50 C ATOM 747 CG PHE A 47 9.401 -7.505 6.212 1.00 1.87 C ATOM 748 CD1 PHE A 47 8.798 -7.919 7.390 1.00 2.53 C ATOM 749 CD2 PHE A 47 9.689 -8.458 5.246 1.00 2.17 C ATOM 750 CE1 PHE A 47 8.492 -9.247 7.601 1.00 3.14 C ATOM 751 CE2 PHE A 47 9.385 -9.789 5.453 1.00 2.69 C ATOM 752 CZ PHE A 47 8.786 -10.184 6.632 1.00 3.10 C ATOM 0 H PHE A 47 9.834 -3.261 7.322 1.00 1.20 H new ATOM 0 HA PHE A 47 10.236 -6.038 8.032 1.00 1.41 H new ATOM 0 HB2 PHE A 47 8.826 -5.546 5.620 1.00 1.50 H new ATOM 0 HB3 PHE A 47 10.467 -5.980 5.183 1.00 1.50 H new ATOM 0 HD1 PHE A 47 8.565 -7.191 8.153 1.00 2.53 H new ATOM 0 HD2 PHE A 47 10.157 -8.155 4.321 1.00 2.17 H new ATOM 0 HE1 PHE A 47 8.023 -9.553 8.524 1.00 3.14 H new ATOM 0 HE2 PHE A 47 9.616 -10.521 4.693 1.00 2.69 H new ATOM 0 HZ PHE A 47 8.548 -11.225 6.796 1.00 3.10 H new ATOM 762 N LYS A 48 12.638 -5.652 6.796 1.00 1.83 N ATOM 763 CA LYS A 48 14.015 -5.175 6.795 1.00 2.13 C ATOM 764 C LYS A 48 15.002 -6.261 6.371 1.00 2.50 C ATOM 765 O LYS A 48 14.613 -7.223 5.711 1.00 3.01 O ATOM 766 CB LYS A 48 14.324 -4.719 8.220 1.00 2.46 C ATOM 767 CG LYS A 48 14.387 -5.848 9.234 1.00 3.10 C ATOM 768 CD LYS A 48 14.771 -5.341 10.611 1.00 3.81 C ATOM 769 CE LYS A 48 14.736 -6.457 11.640 1.00 4.36 C ATOM 770 NZ LYS A 48 15.640 -7.585 11.283 1.00 4.90 N ATOM 0 H LYS A 48 12.521 -6.654 6.643 1.00 1.83 H new ATOM 0 HA LYS A 48 14.121 -4.363 6.075 1.00 2.13 H new ATOM 0 HB2 LYS A 48 15.277 -4.190 8.222 1.00 2.46 H new ATOM 0 HB3 LYS A 48 13.563 -4.005 8.534 1.00 2.46 H new ATOM 0 HG2 LYS A 48 13.419 -6.346 9.286 1.00 3.10 H new ATOM 0 HG3 LYS A 48 15.111 -6.593 8.905 1.00 3.10 H new ATOM 0 HD2 LYS A 48 15.770 -4.908 10.575 1.00 3.81 H new ATOM 0 HD3 LYS A 48 14.089 -4.545 10.911 1.00 3.81 H new ATOM 0 HE2 LYS A 48 15.022 -6.059 12.614 1.00 4.36 H new ATOM 0 HE3 LYS A 48 13.716 -6.828 11.735 1.00 4.36 H new ATOM 0 HZ1 LYS A 48 15.713 -8.240 12.088 1.00 4.90 H new ATOM 0 HZ2 LYS A 48 15.256 -8.090 10.459 1.00 4.90 H new ATOM 0 HZ3 LYS A 48 16.584 -7.214 11.052 1.00 4.90 H new ATOM 879 N ARG A 56 10.354 -6.494 -3.492 1.00 3.37 N ATOM 880 CA ARG A 56 9.328 -5.582 -3.026 1.00 2.70 C ATOM 881 C ARG A 56 8.008 -6.229 -2.599 1.00 2.24 C ATOM 882 O ARG A 56 7.968 -7.398 -2.245 1.00 2.47 O ATOM 883 CB ARG A 56 9.146 -4.489 -4.082 1.00 3.43 C ATOM 884 CG ARG A 56 8.067 -4.755 -5.134 1.00 4.15 C ATOM 885 CD ARG A 56 8.169 -3.783 -6.295 1.00 4.75 C ATOM 886 NE ARG A 56 7.290 -4.147 -7.409 1.00 5.53 N ATOM 887 CZ ARG A 56 6.504 -3.283 -8.057 1.00 6.18 C ATOM 888 NH1 ARG A 56 6.381 -2.034 -7.629 1.00 6.21 N ATOM 889 NH2 ARG A 56 5.817 -3.677 -9.120 1.00 7.08 N ATOM 0 HA ARG A 56 9.678 -5.150 -2.089 1.00 2.70 H new ATOM 0 HB2 ARG A 56 8.909 -3.554 -3.574 1.00 3.43 H new ATOM 0 HB3 ARG A 56 10.097 -4.342 -4.593 1.00 3.43 H new ATOM 0 HG2 ARG A 56 8.162 -5.776 -5.504 1.00 4.15 H new ATOM 0 HG3 ARG A 56 7.082 -4.673 -4.675 1.00 4.15 H new ATOM 0 HD2 ARG A 56 7.916 -2.781 -5.949 1.00 4.75 H new ATOM 0 HD3 ARG A 56 9.200 -3.748 -6.646 1.00 4.75 H new ATOM 0 HE ARG A 56 7.277 -5.122 -7.709 1.00 5.53 H new ATOM 0 HH11 ARG A 56 6.889 -1.727 -6.799 1.00 6.21 H new ATOM 0 HH12 ARG A 56 5.779 -1.380 -8.129 1.00 6.21 H new ATOM 0 HH21 ARG A 56 5.888 -4.641 -9.444 1.00 7.08 H new ATOM 0 HH22 ARG A 56 5.217 -3.016 -9.613 1.00 7.08 H new ATOM 903 N TRP A 57 6.960 -5.397 -2.502 1.00 1.83 N ATOM 904 CA TRP A 57 5.631 -5.820 -2.065 1.00 1.49 C ATOM 905 C TRP A 57 4.577 -5.157 -2.950 1.00 1.19 C ATOM 906 O TRP A 57 4.790 -4.035 -3.413 1.00 1.43 O ATOM 907 CB TRP A 57 5.370 -5.379 -0.610 1.00 1.69 C ATOM 908 CG TRP A 57 6.227 -6.033 0.439 1.00 1.83 C ATOM 909 CD1 TRP A 57 7.572 -6.232 0.401 1.00 1.56 C ATOM 910 CD2 TRP A 57 5.792 -6.536 1.705 1.00 2.78 C ATOM 911 NE1 TRP A 57 8.000 -6.834 1.549 1.00 1.85 N ATOM 912 CE2 TRP A 57 6.926 -7.036 2.367 1.00 2.70 C ATOM 913 CE3 TRP A 57 4.554 -6.617 2.339 1.00 3.91 C ATOM 914 CZ2 TRP A 57 6.857 -7.607 3.631 1.00 3.65 C ATOM 915 CZ3 TRP A 57 4.486 -7.184 3.595 1.00 4.90 C ATOM 916 CH2 TRP A 57 5.632 -7.672 4.229 1.00 4.75 C ATOM 0 H TRP A 57 7.017 -4.404 -2.728 1.00 1.83 H new ATOM 0 HA TRP A 57 5.577 -6.906 -2.135 1.00 1.49 H new ATOM 0 HB2 TRP A 57 5.512 -4.300 -0.547 1.00 1.69 H new ATOM 0 HB3 TRP A 57 4.325 -5.577 -0.373 1.00 1.69 H new ATOM 0 HD1 TRP A 57 8.212 -5.953 -0.423 1.00 1.56 H new ATOM 0 HE1 TRP A 57 8.964 -7.091 1.761 1.00 1.85 H new ATOM 0 HE3 TRP A 57 3.664 -6.243 1.856 1.00 3.91 H new ATOM 0 HZ2 TRP A 57 7.741 -7.986 4.123 1.00 3.65 H new ATOM 0 HZ3 TRP A 57 3.532 -7.252 4.096 1.00 4.90 H new ATOM 0 HH2 TRP A 57 5.546 -8.110 5.213 1.00 4.75 H new ATOM 927 N ASN A 58 3.457 -5.833 -3.195 1.00 0.91 N ATOM 928 CA ASN A 58 2.300 -5.185 -3.815 1.00 0.71 C ATOM 929 C ASN A 58 1.063 -5.475 -2.974 1.00 0.59 C ATOM 930 O ASN A 58 0.891 -6.592 -2.494 1.00 0.71 O ATOM 931 CB ASN A 58 2.082 -5.665 -5.255 1.00 0.74 C ATOM 932 CG ASN A 58 3.109 -5.108 -6.223 1.00 1.23 C ATOM 933 OD1 ASN A 58 3.610 -3.999 -6.050 1.00 2.05 O ATOM 934 ND2 ASN A 58 3.429 -5.877 -7.252 1.00 1.91 N ATOM 0 H ASN A 58 3.324 -6.821 -2.977 1.00 0.91 H new ATOM 0 HA ASN A 58 2.486 -4.112 -3.856 1.00 0.71 H new ATOM 0 HB2 ASN A 58 2.120 -6.754 -5.280 1.00 0.74 H new ATOM 0 HB3 ASN A 58 1.084 -5.373 -5.583 1.00 0.74 H new ATOM 0 HD21 ASN A 58 4.114 -5.555 -7.936 1.00 1.91 H new ATOM 0 HD22 ASN A 58 2.991 -6.792 -7.361 1.00 1.91 H new ATOM 941 N CYS A 59 0.214 -4.479 -2.787 1.00 0.55 N ATOM 942 CA CYS A 59 -0.947 -4.621 -1.919 1.00 0.50 C ATOM 943 C CYS A 59 -2.216 -4.818 -2.738 1.00 0.44 C ATOM 944 O CYS A 59 -2.480 -4.081 -3.683 1.00 0.56 O ATOM 945 CB CYS A 59 -1.077 -3.403 -1.005 1.00 0.60 C ATOM 946 SG CYS A 59 0.437 -3.043 -0.047 1.00 0.76 S ATOM 0 H CYS A 59 0.305 -3.562 -3.224 1.00 0.55 H new ATOM 0 HA CYS A 59 -0.807 -5.507 -1.299 1.00 0.50 H new ATOM 0 HB2 CYS A 59 -1.331 -2.532 -1.609 1.00 0.60 H new ATOM 0 HB3 CYS A 59 -1.904 -3.564 -0.314 1.00 0.60 H new ATOM 951 N LEU A 60 -3.002 -5.814 -2.363 1.00 0.36 N ATOM 952 CA LEU A 60 -4.163 -6.206 -3.127 1.00 0.34 C ATOM 953 C LEU A 60 -5.378 -6.048 -2.247 1.00 0.29 C ATOM 954 O LEU A 60 -5.459 -6.675 -1.196 1.00 0.32 O ATOM 955 CB LEU A 60 -4.043 -7.670 -3.587 1.00 0.44 C ATOM 956 CG LEU A 60 -3.079 -7.957 -4.752 1.00 1.27 C ATOM 957 CD1 LEU A 60 -1.635 -7.666 -4.376 1.00 1.90 C ATOM 958 CD2 LEU A 60 -3.208 -9.404 -5.200 1.00 1.85 C ATOM 0 H LEU A 60 -2.849 -6.369 -1.521 1.00 0.36 H new ATOM 0 HA LEU A 60 -4.246 -5.579 -4.015 1.00 0.34 H new ATOM 0 HB2 LEU A 60 -3.730 -8.270 -2.732 1.00 0.44 H new ATOM 0 HB3 LEU A 60 -5.035 -8.018 -3.874 1.00 0.44 H new ATOM 0 HG LEU A 60 -3.355 -7.294 -5.572 1.00 1.27 H new ATOM 0 HD11 LEU A 60 -0.987 -7.882 -5.226 1.00 1.90 H new ATOM 0 HD12 LEU A 60 -1.535 -6.616 -4.101 1.00 1.90 H new ATOM 0 HD13 LEU A 60 -1.346 -8.291 -3.531 1.00 1.90 H new ATOM 0 HD21 LEU A 60 -2.520 -9.592 -6.024 1.00 1.85 H new ATOM 0 HD22 LEU A 60 -2.967 -10.065 -4.368 1.00 1.85 H new ATOM 0 HD23 LEU A 60 -4.230 -9.593 -5.529 1.00 1.85 H new ATOM 970 N PHE A 61 -6.325 -5.234 -2.655 1.00 0.29 N ATOM 971 CA PHE A 61 -7.477 -4.994 -1.804 1.00 0.28 C ATOM 972 C PHE A 61 -8.616 -5.871 -2.277 1.00 0.37 C ATOM 973 O PHE A 61 -9.093 -5.726 -3.398 1.00 0.48 O ATOM 974 CB PHE A 61 -7.942 -3.525 -1.830 1.00 0.32 C ATOM 975 CG PHE A 61 -6.972 -2.507 -1.289 1.00 0.30 C ATOM 976 CD1 PHE A 61 -5.606 -2.667 -1.428 1.00 0.59 C ATOM 977 CD2 PHE A 61 -7.436 -1.352 -0.689 1.00 0.54 C ATOM 978 CE1 PHE A 61 -4.737 -1.705 -0.994 1.00 0.63 C ATOM 979 CE2 PHE A 61 -6.564 -0.387 -0.246 1.00 0.57 C ATOM 980 CZ PHE A 61 -5.211 -0.557 -0.405 1.00 0.37 C ATOM 0 H PHE A 61 -6.327 -4.737 -3.546 1.00 0.29 H new ATOM 0 HA PHE A 61 -7.185 -5.227 -0.780 1.00 0.28 H new ATOM 0 HB2 PHE A 61 -8.177 -3.259 -2.861 1.00 0.32 H new ATOM 0 HB3 PHE A 61 -8.869 -3.450 -1.262 1.00 0.32 H new ATOM 0 HD1 PHE A 61 -5.220 -3.565 -1.886 1.00 0.59 H new ATOM 0 HD2 PHE A 61 -8.499 -1.206 -0.567 1.00 0.54 H new ATOM 0 HE1 PHE A 61 -3.673 -1.848 -1.114 1.00 0.63 H new ATOM 0 HE2 PHE A 61 -6.943 0.506 0.228 1.00 0.57 H new ATOM 0 HZ PHE A 61 -4.524 0.206 -0.070 1.00 0.37 H new ATOM 990 N ARG A 62 -9.070 -6.758 -1.415 1.00 0.47 N ATOM 991 CA ARG A 62 -10.018 -7.780 -1.817 1.00 0.66 C ATOM 992 C ARG A 62 -11.168 -7.891 -0.834 1.00 0.89 C ATOM 993 O ARG A 62 -10.974 -7.926 0.384 1.00 1.05 O ATOM 994 CB ARG A 62 -9.324 -9.134 -1.988 1.00 0.84 C ATOM 995 CG ARG A 62 -8.388 -9.504 -0.849 1.00 1.49 C ATOM 996 CD ARG A 62 -7.774 -10.878 -1.065 1.00 1.88 C ATOM 997 NE ARG A 62 -7.208 -11.023 -2.407 1.00 2.29 N ATOM 998 CZ ARG A 62 -5.968 -11.433 -2.662 1.00 2.86 C ATOM 999 NH1 ARG A 62 -5.145 -11.740 -1.670 1.00 3.11 N ATOM 1000 NH2 ARG A 62 -5.555 -11.548 -3.917 1.00 3.63 N ATOM 0 H ARG A 62 -8.799 -6.793 -0.432 1.00 0.47 H new ATOM 0 HA ARG A 62 -10.431 -7.480 -2.780 1.00 0.66 H new ATOM 0 HB2 ARG A 62 -10.084 -9.909 -2.085 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -8.758 -9.124 -2.920 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -7.597 -8.758 -0.768 1.00 1.49 H new ATOM 0 HG3 ARG A 62 -8.935 -9.492 0.093 1.00 1.49 H new ATOM 0 HD2 ARG A 62 -6.994 -11.047 -0.323 1.00 1.88 H new ATOM 0 HD3 ARG A 62 -8.534 -11.643 -0.908 1.00 1.88 H new ATOM 0 HE ARG A 62 -7.805 -10.794 -3.202 1.00 2.29 H new ATOM 0 HH11 ARG A 62 -5.461 -11.663 -0.703 1.00 3.11 H new ATOM 0 HH12 ARG A 62 -4.196 -12.054 -1.873 1.00 3.11 H new ATOM 0 HH21 ARG A 62 -6.187 -11.322 -4.685 1.00 3.63 H new ATOM 0 HH22 ARG A 62 -4.605 -11.862 -4.114 1.00 3.63 H new ATOM 1014 N GLN A 63 -12.360 -7.943 -1.400 1.00 1.13 N ATOM 1015 CA GLN A 63 -13.602 -8.006 -0.652 1.00 1.48 C ATOM 1016 C GLN A 63 -14.741 -8.088 -1.658 1.00 2.09 C ATOM 1017 O GLN A 63 -15.585 -7.193 -1.758 1.00 2.68 O ATOM 1018 CB GLN A 63 -13.752 -6.776 0.250 1.00 1.69 C ATOM 1019 CG GLN A 63 -14.969 -6.811 1.159 1.00 2.15 C ATOM 1020 CD GLN A 63 -15.067 -5.566 2.012 1.00 2.52 C ATOM 1021 OE1 GLN A 63 -14.593 -4.502 1.621 1.00 3.00 O ATOM 1022 NE2 GLN A 63 -15.684 -5.684 3.173 1.00 3.03 N ATOM 0 H GLN A 63 -12.494 -7.943 -2.411 1.00 1.13 H new ATOM 0 HA GLN A 63 -13.613 -8.881 -0.002 1.00 1.48 H new ATOM 0 HB2 GLN A 63 -12.857 -6.679 0.865 1.00 1.69 H new ATOM 0 HB3 GLN A 63 -13.806 -5.885 -0.376 1.00 1.69 H new ATOM 0 HG2 GLN A 63 -15.871 -6.910 0.555 1.00 2.15 H new ATOM 0 HG3 GLN A 63 -14.918 -7.690 1.802 1.00 2.15 H new ATOM 0 HE21 GLN A 63 -16.063 -6.586 3.460 1.00 3.03 H new ATOM 0 HE22 GLN A 63 -15.781 -4.873 3.784 1.00 3.03 H new ATOM 1031 N GLY A 64 -14.713 -9.151 -2.445 1.00 2.55 N ATOM 1032 CA GLY A 64 -15.680 -9.318 -3.502 1.00 3.28 C ATOM 1033 C GLY A 64 -15.770 -10.750 -3.976 1.00 3.41 C ATOM 1034 O GLY A 64 -16.231 -11.620 -3.239 1.00 3.88 O ATOM 0 H GLY A 64 -14.031 -9.906 -2.368 1.00 2.55 H new ATOM 0 HA2 GLY A 64 -16.659 -8.992 -3.151 1.00 3.28 H new ATOM 0 HA3 GLY A 64 -15.412 -8.676 -4.341 1.00 3.28 H new ATOM 1038 N ILE A 65 -15.317 -11.006 -5.200 1.00 3.49 N ATOM 1039 CA ILE A 65 -15.468 -12.319 -5.797 1.00 3.94 C ATOM 1040 C ILE A 65 -14.564 -12.526 -7.029 1.00 4.01 C ATOM 1041 O ILE A 65 -13.662 -13.360 -7.005 1.00 4.32 O ATOM 1042 CB ILE A 65 -16.946 -12.557 -6.143 1.00 4.22 C ATOM 1043 CG1 ILE A 65 -17.149 -13.861 -6.924 1.00 4.91 C ATOM 1044 CG2 ILE A 65 -17.483 -11.364 -6.895 1.00 3.92 C ATOM 1045 CD1 ILE A 65 -16.783 -15.106 -6.145 1.00 5.57 C ATOM 0 H ILE A 65 -14.845 -10.322 -5.791 1.00 3.49 H new ATOM 0 HA ILE A 65 -15.143 -13.057 -5.064 1.00 3.94 H new ATOM 0 HB ILE A 65 -17.507 -12.670 -5.216 1.00 4.22 H new ATOM 0 HG12 ILE A 65 -18.193 -13.930 -7.231 1.00 4.91 H new ATOM 0 HG13 ILE A 65 -16.550 -13.825 -7.834 1.00 4.91 H new ATOM 0 HG21 ILE A 65 -18.532 -11.531 -7.141 1.00 3.92 H new ATOM 0 HG22 ILE A 65 -17.394 -10.472 -6.274 1.00 3.92 H new ATOM 0 HG23 ILE A 65 -16.912 -11.226 -7.813 1.00 3.92 H new ATOM 0 HD11 ILE A 65 -16.954 -15.986 -6.765 1.00 5.57 H new ATOM 0 HD12 ILE A 65 -15.732 -15.061 -5.860 1.00 5.57 H new ATOM 0 HD13 ILE A 65 -17.399 -15.168 -5.248 1.00 5.57 H new ATOM 1057 N ASN A 66 -14.800 -11.762 -8.091 1.00 4.06 N ATOM 1058 CA ASN A 66 -14.090 -11.943 -9.358 1.00 4.27 C ATOM 1059 C ASN A 66 -13.155 -10.768 -9.616 1.00 4.09 C ATOM 1060 O ASN A 66 -12.611 -10.187 -8.677 1.00 4.26 O ATOM 1061 CB ASN A 66 -15.083 -12.071 -10.520 1.00 4.76 C ATOM 1062 CG ASN A 66 -16.000 -13.271 -10.399 1.00 5.45 C ATOM 1063 OD1 ASN A 66 -17.127 -13.163 -9.912 1.00 5.72 O ATOM 1064 ND2 ASN A 66 -15.523 -14.427 -10.832 1.00 6.08 N ATOM 0 H ASN A 66 -15.483 -11.005 -8.101 1.00 4.06 H new ATOM 0 HA ASN A 66 -13.504 -12.859 -9.289 1.00 4.27 H new ATOM 0 HB2 ASN A 66 -15.687 -11.165 -10.573 1.00 4.76 H new ATOM 0 HB3 ASN A 66 -14.529 -12.140 -11.456 1.00 4.76 H new ATOM 0 HD21 ASN A 66 -16.094 -15.270 -10.769 1.00 6.08 H new ATOM 0 HD22 ASN A 66 -14.585 -14.475 -11.229 1.00 6.08 H new ATOM 1071 N MET A 67 -12.926 -10.459 -10.892 1.00 4.09 N ATOM 1072 CA MET A 67 -12.235 -9.230 -11.269 1.00 4.13 C ATOM 1073 C MET A 67 -13.065 -8.025 -10.840 1.00 3.60 C ATOM 1074 O MET A 67 -12.532 -6.940 -10.606 1.00 3.77 O ATOM 1075 CB MET A 67 -11.983 -9.177 -12.778 1.00 4.54 C ATOM 1076 CG MET A 67 -11.016 -10.235 -13.276 1.00 5.19 C ATOM 1077 SD MET A 67 -10.689 -10.095 -15.043 1.00 6.00 S ATOM 1078 CE MET A 67 -9.572 -11.472 -15.284 1.00 6.30 C ATOM 0 H MET A 67 -13.209 -11.042 -11.679 1.00 4.09 H new ATOM 0 HA MET A 67 -11.269 -9.211 -10.764 1.00 4.13 H new ATOM 0 HB2 MET A 67 -12.933 -9.292 -13.300 1.00 4.54 H new ATOM 0 HB3 MET A 67 -11.594 -8.192 -13.037 1.00 4.54 H new ATOM 0 HG2 MET A 67 -10.077 -10.151 -12.728 1.00 5.19 H new ATOM 0 HG3 MET A 67 -11.422 -11.224 -13.062 1.00 5.19 H new ATOM 0 HE1 MET A 67 -9.276 -11.522 -16.332 1.00 6.30 H new ATOM 0 HE2 MET A 67 -8.687 -11.335 -14.663 1.00 6.30 H new ATOM 0 HE3 MET A 67 -10.072 -12.399 -15.004 1.00 6.30 H new ATOM 1088 N LYS A 68 -14.379 -8.226 -10.763 1.00 3.30 N ATOM 1089 CA LYS A 68 -15.273 -7.252 -10.159 1.00 3.12 C ATOM 1090 C LYS A 68 -14.919 -7.128 -8.685 1.00 2.78 C ATOM 1091 O LYS A 68 -14.535 -8.122 -8.064 1.00 3.25 O ATOM 1092 CB LYS A 68 -16.733 -7.689 -10.334 1.00 3.71 C ATOM 1093 CG LYS A 68 -17.754 -6.676 -9.829 1.00 4.30 C ATOM 1094 CD LYS A 68 -17.619 -5.327 -10.527 1.00 4.85 C ATOM 1095 CE LYS A 68 -17.858 -5.432 -12.026 1.00 5.37 C ATOM 1096 NZ LYS A 68 -17.754 -4.109 -12.698 1.00 5.81 N ATOM 0 H LYS A 68 -14.846 -9.062 -11.115 1.00 3.30 H new ATOM 0 HA LYS A 68 -15.158 -6.284 -10.646 1.00 3.12 H new ATOM 0 HB2 LYS A 68 -16.919 -7.879 -11.391 1.00 3.71 H new ATOM 0 HB3 LYS A 68 -16.884 -8.632 -9.809 1.00 3.71 H new ATOM 0 HG2 LYS A 68 -18.759 -7.066 -9.987 1.00 4.30 H new ATOM 0 HG3 LYS A 68 -17.629 -6.542 -8.755 1.00 4.30 H new ATOM 0 HD2 LYS A 68 -18.331 -4.623 -10.095 1.00 4.85 H new ATOM 0 HD3 LYS A 68 -16.622 -4.924 -10.347 1.00 4.85 H new ATOM 0 HE2 LYS A 68 -17.133 -6.119 -12.462 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -18.846 -5.855 -12.207 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -17.923 -4.223 -13.718 1.00 5.81 H new ATOM 0 HZ2 LYS A 68 -18.463 -3.461 -12.300 1.00 5.81 H new ATOM 0 HZ3 LYS A 68 -16.803 -3.717 -12.547 1.00 5.81 H new ATOM 1110 N PHE A 69 -15.065 -5.925 -8.127 1.00 2.52 N ATOM 1111 CA PHE A 69 -14.502 -5.606 -6.816 1.00 2.44 C ATOM 1112 C PHE A 69 -12.977 -5.567 -6.953 1.00 2.04 C ATOM 1113 O PHE A 69 -12.471 -5.494 -8.071 1.00 2.83 O ATOM 1114 CB PHE A 69 -14.937 -6.627 -5.743 1.00 3.01 C ATOM 1115 CG PHE A 69 -16.419 -6.664 -5.483 1.00 3.88 C ATOM 1116 CD1 PHE A 69 -16.992 -5.866 -4.505 1.00 4.80 C ATOM 1117 CD2 PHE A 69 -17.239 -7.508 -6.215 1.00 4.14 C ATOM 1118 CE1 PHE A 69 -18.353 -5.909 -4.267 1.00 5.84 C ATOM 1119 CE2 PHE A 69 -18.598 -7.554 -5.981 1.00 5.20 C ATOM 1120 CZ PHE A 69 -19.157 -6.754 -5.006 1.00 6.01 C ATOM 0 H PHE A 69 -15.570 -5.154 -8.565 1.00 2.52 H new ATOM 0 HA PHE A 69 -14.875 -4.637 -6.486 1.00 2.44 H new ATOM 0 HB2 PHE A 69 -14.610 -7.620 -6.050 1.00 3.01 H new ATOM 0 HB3 PHE A 69 -14.423 -6.396 -4.810 1.00 3.01 H new ATOM 0 HD1 PHE A 69 -16.368 -5.204 -3.923 1.00 4.80 H new ATOM 0 HD2 PHE A 69 -16.808 -8.138 -6.979 1.00 4.14 H new ATOM 0 HE1 PHE A 69 -18.788 -5.282 -3.503 1.00 5.84 H new ATOM 0 HE2 PHE A 69 -19.224 -8.216 -6.561 1.00 5.20 H new ATOM 0 HZ PHE A 69 -20.221 -6.789 -4.821 1.00 6.01 H new ATOM 1130 N PHE A 70 -12.256 -5.569 -5.831 1.00 1.22 N ATOM 1131 CA PHE A 70 -10.798 -5.754 -5.845 1.00 0.92 C ATOM 1132 C PHE A 70 -10.030 -4.538 -6.392 1.00 0.79 C ATOM 1133 O PHE A 70 -10.563 -3.722 -7.144 1.00 1.19 O ATOM 1134 CB PHE A 70 -10.466 -6.989 -6.673 1.00 1.37 C ATOM 1135 CG PHE A 70 -9.037 -7.379 -6.574 1.00 1.92 C ATOM 1136 CD1 PHE A 70 -8.539 -7.799 -5.370 1.00 2.15 C ATOM 1137 CD2 PHE A 70 -8.187 -7.297 -7.662 1.00 2.74 C ATOM 1138 CE1 PHE A 70 -7.233 -8.131 -5.231 1.00 2.96 C ATOM 1139 CE2 PHE A 70 -6.866 -7.637 -7.536 1.00 3.59 C ATOM 1140 CZ PHE A 70 -6.380 -8.056 -6.316 1.00 3.63 C ATOM 0 H PHE A 70 -12.654 -5.445 -4.900 1.00 1.22 H new ATOM 0 HA PHE A 70 -10.478 -5.877 -4.810 1.00 0.92 H new ATOM 0 HB2 PHE A 70 -11.089 -7.821 -6.343 1.00 1.37 H new ATOM 0 HB3 PHE A 70 -10.715 -6.799 -7.717 1.00 1.37 H new ATOM 0 HD1 PHE A 70 -9.198 -7.867 -4.517 1.00 2.15 H new ATOM 0 HD2 PHE A 70 -8.567 -6.963 -8.616 1.00 2.74 H new ATOM 0 HE1 PHE A 70 -6.858 -8.455 -4.271 1.00 2.96 H new ATOM 0 HE2 PHE A 70 -6.207 -7.577 -8.390 1.00 3.59 H new ATOM 0 HZ PHE A 70 -5.339 -8.324 -6.209 1.00 3.63 H new ATOM 1150 N THR A 71 -8.777 -4.430 -5.965 1.00 0.58 N ATOM 1151 CA THR A 71 -7.805 -3.534 -6.579 1.00 0.49 C ATOM 1152 C THR A 71 -6.405 -4.012 -6.258 1.00 0.40 C ATOM 1153 O THR A 71 -6.186 -4.703 -5.264 1.00 0.49 O ATOM 1154 CB THR A 71 -7.964 -2.046 -6.178 1.00 0.56 C ATOM 1155 OG1 THR A 71 -7.392 -1.215 -7.199 1.00 0.81 O ATOM 1156 CG2 THR A 71 -7.288 -1.720 -4.854 1.00 0.48 C ATOM 0 H THR A 71 -8.405 -4.964 -5.179 1.00 0.58 H new ATOM 0 HA THR A 71 -7.992 -3.570 -7.652 1.00 0.49 H new ATOM 0 HB THR A 71 -9.032 -1.857 -6.065 1.00 0.56 H new ATOM 0 HG1 THR A 71 -8.060 -0.566 -7.505 1.00 0.81 H new ATOM 0 HG21 THR A 71 -7.431 -0.665 -4.623 1.00 0.48 H new ATOM 0 HG22 THR A 71 -7.726 -2.328 -4.062 1.00 0.48 H new ATOM 0 HG23 THR A 71 -6.222 -1.934 -4.928 1.00 0.48 H new ATOM 1164 N GLU A 72 -5.472 -3.664 -7.112 1.00 0.49 N ATOM 1165 CA GLU A 72 -4.111 -4.122 -6.974 1.00 0.45 C ATOM 1166 C GLU A 72 -3.170 -2.932 -7.023 1.00 0.47 C ATOM 1167 O GLU A 72 -2.986 -2.319 -8.075 1.00 0.57 O ATOM 1168 CB GLU A 72 -3.797 -5.101 -8.090 1.00 0.63 C ATOM 1169 CG GLU A 72 -2.464 -5.813 -7.933 1.00 1.19 C ATOM 1170 CD GLU A 72 -2.154 -6.718 -9.103 1.00 1.50 C ATOM 1171 OE1 GLU A 72 -1.307 -6.347 -9.939 1.00 1.83 O ATOM 1172 OE2 GLU A 72 -2.763 -7.803 -9.202 1.00 1.80 O ATOM 0 H GLU A 72 -5.634 -3.059 -7.917 1.00 0.49 H new ATOM 0 HA GLU A 72 -3.982 -4.628 -6.017 1.00 0.45 H new ATOM 0 HB2 GLU A 72 -4.591 -5.846 -8.140 1.00 0.63 H new ATOM 0 HB3 GLU A 72 -3.802 -4.566 -9.040 1.00 0.63 H new ATOM 0 HG2 GLU A 72 -1.670 -5.073 -7.829 1.00 1.19 H new ATOM 0 HG3 GLU A 72 -2.475 -6.401 -7.015 1.00 1.19 H new ATOM 1179 N VAL A 73 -2.586 -2.602 -5.889 1.00 0.44 N ATOM 1180 CA VAL A 73 -1.781 -1.405 -5.776 1.00 0.52 C ATOM 1181 C VAL A 73 -0.339 -1.754 -5.444 1.00 0.64 C ATOM 1182 O VAL A 73 -0.081 -2.655 -4.653 1.00 0.76 O ATOM 1183 CB VAL A 73 -2.315 -0.461 -4.687 1.00 0.52 C ATOM 1184 CG1 VAL A 73 -2.207 0.981 -5.150 1.00 0.66 C ATOM 1185 CG2 VAL A 73 -3.745 -0.806 -4.317 1.00 0.53 C ATOM 0 H VAL A 73 -2.655 -3.149 -5.031 1.00 0.44 H new ATOM 0 HA VAL A 73 -1.832 -0.902 -6.741 1.00 0.52 H new ATOM 0 HB VAL A 73 -1.705 -0.587 -3.792 1.00 0.52 H new ATOM 0 HG11 VAL A 73 -2.588 1.642 -4.372 1.00 0.66 H new ATOM 0 HG12 VAL A 73 -1.163 1.221 -5.352 1.00 0.66 H new ATOM 0 HG13 VAL A 73 -2.793 1.116 -6.059 1.00 0.66 H new ATOM 0 HG21 VAL A 73 -4.096 -0.122 -3.545 1.00 0.53 H new ATOM 0 HG22 VAL A 73 -4.381 -0.716 -5.198 1.00 0.53 H new ATOM 0 HG23 VAL A 73 -3.787 -1.829 -3.942 1.00 0.53 H new ATOM 1195 N GLU A 74 0.596 -1.045 -6.047 1.00 0.80 N ATOM 1196 CA GLU A 74 2.000 -1.239 -5.744 1.00 0.96 C ATOM 1197 C GLU A 74 2.341 -0.622 -4.398 1.00 0.98 C ATOM 1198 O GLU A 74 2.132 0.572 -4.181 1.00 1.16 O ATOM 1199 CB GLU A 74 2.860 -0.612 -6.836 1.00 1.24 C ATOM 1200 CG GLU A 74 2.816 -1.358 -8.157 1.00 1.49 C ATOM 1201 CD GLU A 74 3.555 -0.628 -9.258 1.00 1.71 C ATOM 1202 OE1 GLU A 74 4.804 -0.580 -9.206 1.00 2.25 O ATOM 1203 OE2 GLU A 74 2.895 -0.104 -10.179 1.00 2.02 O ATOM 0 H GLU A 74 0.408 -0.330 -6.749 1.00 0.80 H new ATOM 0 HA GLU A 74 2.203 -2.309 -5.700 1.00 0.96 H new ATOM 0 HB2 GLU A 74 2.532 0.415 -6.999 1.00 1.24 H new ATOM 0 HB3 GLU A 74 3.893 -0.566 -6.490 1.00 1.24 H new ATOM 0 HG2 GLU A 74 3.251 -2.349 -8.026 1.00 1.49 H new ATOM 0 HG3 GLU A 74 1.777 -1.503 -8.455 1.00 1.49 H new ATOM 1210 N ALA A 75 2.865 -1.448 -3.500 1.00 1.06 N ATOM 1211 CA ALA A 75 3.286 -0.987 -2.185 1.00 1.12 C ATOM 1212 C ALA A 75 4.480 -0.079 -2.325 1.00 1.43 C ATOM 1213 O ALA A 75 4.716 0.787 -1.488 1.00 1.80 O ATOM 1214 CB ALA A 75 3.659 -2.158 -1.299 1.00 1.02 C ATOM 0 H ALA A 75 3.008 -2.445 -3.661 1.00 1.06 H new ATOM 0 HA ALA A 75 2.456 -0.448 -1.729 1.00 1.12 H new ATOM 0 HB1 ALA A 75 3.970 -1.790 -0.321 1.00 1.02 H new ATOM 0 HB2 ALA A 75 2.797 -2.815 -1.182 1.00 1.02 H new ATOM 0 HB3 ALA A 75 4.478 -2.713 -1.756 1.00 1.02 H new ATOM 1220 N TYR A 76 5.252 -0.308 -3.382 1.00 1.71 N ATOM 1221 CA TYR A 76 6.466 0.459 -3.617 1.00 2.10 C ATOM 1222 C TYR A 76 7.157 -0.007 -4.886 1.00 2.93 C ATOM 1223 O TYR A 76 7.253 -1.204 -5.141 1.00 3.37 O ATOM 1224 CB TYR A 76 7.401 0.277 -2.428 1.00 2.06 C ATOM 1225 CG TYR A 76 8.546 1.272 -2.330 1.00 2.42 C ATOM 1226 CD1 TYR A 76 9.851 0.849 -2.092 1.00 3.02 C ATOM 1227 CD2 TYR A 76 8.321 2.635 -2.458 1.00 2.63 C ATOM 1228 CE1 TYR A 76 10.887 1.752 -1.985 1.00 3.55 C ATOM 1229 CE2 TYR A 76 9.354 3.543 -2.355 1.00 3.23 C ATOM 1230 CZ TYR A 76 10.636 3.099 -2.117 1.00 3.62 C ATOM 1231 OH TYR A 76 11.667 4.003 -2.007 1.00 4.28 O ATOM 0 H TYR A 76 5.057 -1.018 -4.088 1.00 1.71 H new ATOM 0 HA TYR A 76 6.207 1.511 -3.734 1.00 2.10 H new ATOM 0 HB2 TYR A 76 6.811 0.339 -1.513 1.00 2.06 H new ATOM 0 HB3 TYR A 76 7.820 -0.728 -2.470 1.00 2.06 H new ATOM 0 HD1 TYR A 76 10.055 -0.206 -1.989 1.00 3.02 H new ATOM 0 HD2 TYR A 76 7.318 2.992 -2.642 1.00 2.63 H new ATOM 0 HE1 TYR A 76 11.892 1.404 -1.798 1.00 3.55 H new ATOM 0 HE2 TYR A 76 9.158 4.600 -2.461 1.00 3.23 H new ATOM 0 HH TYR A 76 11.320 4.912 -2.127 1.00 4.28 H new ATOM 1383 N CYS A 85 13.213 1.679 5.077 1.00 2.66 N ATOM 1384 CA CYS A 85 12.884 1.448 6.487 1.00 3.24 C ATOM 1385 C CYS A 85 11.706 2.282 6.846 1.00 3.77 C ATOM 1386 O CYS A 85 10.848 1.919 7.642 1.00 4.31 O ATOM 1387 CB CYS A 85 14.044 1.738 7.439 1.00 3.79 C ATOM 1388 SG CYS A 85 14.731 3.419 7.409 1.00 4.64 S ATOM 0 HA CYS A 85 12.660 0.387 6.601 1.00 3.24 H new ATOM 0 HB2 CYS A 85 13.710 1.526 8.455 1.00 3.79 H new ATOM 0 HB3 CYS A 85 14.849 1.038 7.215 1.00 3.79 H new ATOM 0 HG CYS A 85 15.702 3.507 8.269 1.00 4.64 H new ATOM 1393 N GLY A 86 11.742 3.430 6.283 1.00 4.00 N ATOM 1394 CA GLY A 86 10.598 4.285 6.229 1.00 4.75 C ATOM 1395 C GLY A 86 9.995 4.302 4.842 1.00 4.42 C ATOM 1396 O GLY A 86 9.196 5.183 4.535 1.00 5.13 O ATOM 0 H GLY A 86 12.574 3.816 5.838 1.00 4.00 H new ATOM 0 HA2 GLY A 86 9.853 3.946 6.949 1.00 4.75 H new ATOM 0 HA3 GLY A 86 10.883 5.297 6.517 1.00 4.75 H new ATOM 1400 N LYS A 87 10.349 3.336 3.975 1.00 3.51 N ATOM 1401 CA LYS A 87 10.104 3.581 2.555 1.00 3.25 C ATOM 1402 C LYS A 87 9.186 2.577 1.915 1.00 2.57 C ATOM 1403 O LYS A 87 9.566 1.459 1.605 1.00 2.57 O ATOM 1404 CB LYS A 87 11.388 3.613 1.752 1.00 3.54 C ATOM 1405 CG LYS A 87 12.374 4.692 2.169 1.00 4.49 C ATOM 1406 CD LYS A 87 11.817 6.084 1.929 1.00 5.19 C ATOM 1407 CE LYS A 87 12.832 7.156 2.287 1.00 6.18 C ATOM 1408 NZ LYS A 87 12.285 8.522 2.091 1.00 6.95 N ATOM 0 H LYS A 87 10.776 2.441 4.214 1.00 3.51 H new ATOM 0 HA LYS A 87 9.619 4.557 2.536 1.00 3.25 H new ATOM 0 HB2 LYS A 87 11.877 2.642 1.836 1.00 3.54 H new ATOM 0 HB3 LYS A 87 11.139 3.755 0.700 1.00 3.54 H new ATOM 0 HG2 LYS A 87 12.617 4.574 3.225 1.00 4.49 H new ATOM 0 HG3 LYS A 87 13.303 4.571 1.612 1.00 4.49 H new ATOM 0 HD2 LYS A 87 11.530 6.187 0.883 1.00 5.19 H new ATOM 0 HD3 LYS A 87 10.913 6.223 2.523 1.00 5.19 H new ATOM 0 HE2 LYS A 87 13.139 7.033 3.326 1.00 6.18 H new ATOM 0 HE3 LYS A 87 13.724 7.031 1.674 1.00 6.18 H new ATOM 0 HZ1 LYS A 87 13.008 9.225 2.346 1.00 6.95 H new ATOM 0 HZ2 LYS A 87 12.015 8.648 1.095 1.00 6.95 H new ATOM 0 HZ3 LYS A 87 11.448 8.651 2.695 1.00 6.95 H new ATOM 1422 N ARG A 88 7.986 3.034 1.721 1.00 2.48 N ATOM 1423 CA ARG A 88 6.938 2.357 0.979 1.00 2.17 C ATOM 1424 C ARG A 88 5.915 3.413 0.600 1.00 1.70 C ATOM 1425 O ARG A 88 5.930 4.505 1.174 1.00 2.18 O ATOM 1426 CB ARG A 88 6.276 1.209 1.723 1.00 3.14 C ATOM 1427 CG ARG A 88 7.120 -0.055 1.833 1.00 3.80 C ATOM 1428 CD ARG A 88 7.269 -0.796 0.508 1.00 4.78 C ATOM 1429 NE ARG A 88 7.856 -2.136 0.681 1.00 5.43 N ATOM 1430 CZ ARG A 88 8.764 -2.688 -0.140 1.00 6.34 C ATOM 1431 NH1 ARG A 88 9.198 -2.032 -1.202 1.00 6.69 N ATOM 1432 NH2 ARG A 88 9.259 -3.889 0.128 1.00 7.15 N ATOM 0 H ARG A 88 7.685 3.936 2.091 1.00 2.48 H new ATOM 0 HA ARG A 88 7.388 1.885 0.106 1.00 2.17 H new ATOM 0 HB2 ARG A 88 6.020 1.546 2.727 1.00 3.14 H new ATOM 0 HB3 ARG A 88 5.341 0.961 1.221 1.00 3.14 H new ATOM 0 HG2 ARG A 88 8.109 0.208 2.208 1.00 3.80 H new ATOM 0 HG3 ARG A 88 6.668 -0.723 2.566 1.00 3.80 H new ATOM 0 HD2 ARG A 88 6.292 -0.888 0.034 1.00 4.78 H new ATOM 0 HD3 ARG A 88 7.896 -0.211 -0.165 1.00 4.78 H new ATOM 0 HE ARG A 88 7.550 -2.685 1.484 1.00 5.43 H new ATOM 0 HH11 ARG A 88 8.843 -1.097 -1.404 1.00 6.69 H new ATOM 0 HH12 ARG A 88 9.888 -2.460 -1.819 1.00 6.69 H new ATOM 0 HH21 ARG A 88 8.950 -4.394 0.958 1.00 7.15 H new ATOM 0 HH22 ARG A 88 9.949 -4.307 -0.496 1.00 7.15 H new ATOM 1446 N TYR A 89 5.049 3.131 -0.345 1.00 1.34 N ATOM 1447 CA TYR A 89 4.055 4.108 -0.738 1.00 1.31 C ATOM 1448 C TYR A 89 2.801 3.887 0.087 1.00 1.05 C ATOM 1449 O TYR A 89 2.504 2.761 0.497 1.00 1.43 O ATOM 1450 CB TYR A 89 3.675 3.972 -2.218 1.00 2.13 C ATOM 1451 CG TYR A 89 4.804 4.164 -3.202 1.00 2.67 C ATOM 1452 CD1 TYR A 89 4.882 3.420 -4.371 1.00 3.40 C ATOM 1453 CD2 TYR A 89 5.810 5.085 -2.943 1.00 2.94 C ATOM 1454 CE1 TYR A 89 5.929 3.593 -5.253 1.00 4.21 C ATOM 1455 CE2 TYR A 89 6.856 5.265 -3.822 1.00 3.68 C ATOM 1456 CZ TYR A 89 6.849 4.517 -5.046 1.00 4.27 C ATOM 1457 OH TYR A 89 7.953 4.695 -5.853 1.00 5.18 O ATOM 0 H TYR A 89 5.010 2.246 -0.851 1.00 1.34 H new ATOM 0 HA TYR A 89 4.478 5.099 -0.575 1.00 1.31 H new ATOM 0 HB2 TYR A 89 3.245 2.983 -2.375 1.00 2.13 H new ATOM 0 HB3 TYR A 89 2.894 4.699 -2.442 1.00 2.13 H new ATOM 0 HD1 TYR A 89 4.113 2.696 -4.593 1.00 3.40 H new ATOM 0 HD2 TYR A 89 5.772 5.671 -2.036 1.00 2.94 H new ATOM 0 HE1 TYR A 89 5.997 2.962 -6.127 1.00 4.21 H new ATOM 0 HE2 TYR A 89 7.659 5.951 -3.595 1.00 3.68 H new ATOM 0 HH TYR A 89 8.494 5.436 -5.509 1.00 5.18 H new ATOM 1467 N GLU A 90 2.106 4.971 0.374 1.00 0.79 N ATOM 1468 CA GLU A 90 0.815 4.886 1.022 1.00 0.71 C ATOM 1469 C GLU A 90 -0.267 4.804 -0.014 1.00 0.53 C ATOM 1470 O GLU A 90 -0.421 5.707 -0.837 1.00 0.63 O ATOM 1471 CB GLU A 90 0.554 6.089 1.927 1.00 1.07 C ATOM 1472 CG GLU A 90 -0.913 6.255 2.295 1.00 1.28 C ATOM 1473 CD GLU A 90 -1.172 7.518 3.097 1.00 1.79 C ATOM 1474 OE1 GLU A 90 -1.438 8.573 2.489 1.00 2.09 O ATOM 1475 OE2 GLU A 90 -1.103 7.467 4.342 1.00 2.07 O ATOM 0 H GLU A 90 2.416 5.921 0.168 1.00 0.79 H new ATOM 0 HA GLU A 90 0.815 3.989 1.641 1.00 0.71 H new ATOM 0 HB2 GLU A 90 1.141 5.983 2.839 1.00 1.07 H new ATOM 0 HB3 GLU A 90 0.901 6.993 1.427 1.00 1.07 H new ATOM 0 HG2 GLU A 90 -1.512 6.277 1.385 1.00 1.28 H new ATOM 0 HG3 GLU A 90 -1.240 5.389 2.871 1.00 1.28 H new ATOM 1482 N LEU A 91 -1.003 3.720 0.009 1.00 0.50 N ATOM 1483 CA LEU A 91 -2.148 3.610 -0.844 1.00 0.43 C ATOM 1484 C LEU A 91 -3.386 3.704 0.006 1.00 0.43 C ATOM 1485 O LEU A 91 -3.614 2.891 0.902 1.00 0.57 O ATOM 1486 CB LEU A 91 -2.174 2.315 -1.663 1.00 0.50 C ATOM 1487 CG LEU A 91 -0.840 1.851 -2.289 1.00 0.93 C ATOM 1488 CD1 LEU A 91 -0.149 2.990 -3.018 1.00 1.82 C ATOM 1489 CD2 LEU A 91 0.090 1.230 -1.258 1.00 1.02 C ATOM 0 H LEU A 91 -0.828 2.911 0.605 1.00 0.50 H new ATOM 0 HA LEU A 91 -2.102 4.425 -1.567 1.00 0.43 H new ATOM 0 HB2 LEU A 91 -2.542 1.516 -1.020 1.00 0.50 H new ATOM 0 HB3 LEU A 91 -2.900 2.438 -2.467 1.00 0.50 H new ATOM 0 HG LEU A 91 -1.085 1.077 -3.016 1.00 0.93 H new ATOM 0 HD11 LEU A 91 0.787 2.632 -3.448 1.00 1.82 H new ATOM 0 HD12 LEU A 91 -0.796 3.358 -3.814 1.00 1.82 H new ATOM 0 HD13 LEU A 91 0.059 3.798 -2.316 1.00 1.82 H new ATOM 0 HD21 LEU A 91 1.015 0.919 -1.743 1.00 1.02 H new ATOM 0 HD22 LEU A 91 0.315 1.963 -0.483 1.00 1.02 H new ATOM 0 HD23 LEU A 91 -0.393 0.363 -0.808 1.00 1.02 H new ATOM 1501 N SER A 92 -4.165 4.713 -0.258 1.00 0.43 N ATOM 1502 CA SER A 92 -5.325 4.991 0.538 1.00 0.48 C ATOM 1503 C SER A 92 -6.577 4.601 -0.187 1.00 0.43 C ATOM 1504 O SER A 92 -6.794 4.988 -1.332 1.00 0.51 O ATOM 1505 CB SER A 92 -5.361 6.461 0.877 1.00 0.59 C ATOM 1506 OG SER A 92 -4.168 6.862 1.524 1.00 1.23 O ATOM 0 H SER A 92 -4.015 5.364 -1.029 1.00 0.43 H new ATOM 0 HA SER A 92 -5.268 4.405 1.455 1.00 0.48 H new ATOM 0 HB2 SER A 92 -5.499 7.044 -0.033 1.00 0.59 H new ATOM 0 HB3 SER A 92 -6.216 6.668 1.521 1.00 0.59 H new ATOM 0 HG SER A 92 -3.887 7.736 1.180 1.00 1.23 H new ATOM 1512 N ALA A 93 -7.397 3.843 0.492 1.00 0.52 N ATOM 1513 CA ALA A 93 -8.654 3.438 -0.047 1.00 0.54 C ATOM 1514 C ALA A 93 -9.673 4.463 0.295 1.00 0.62 C ATOM 1515 O ALA A 93 -10.206 4.483 1.391 1.00 0.83 O ATOM 1516 CB ALA A 93 -9.043 2.107 0.487 1.00 0.66 C ATOM 0 H ALA A 93 -7.207 3.493 1.431 1.00 0.52 H new ATOM 0 HA ALA A 93 -8.579 3.350 -1.131 1.00 0.54 H new ATOM 0 HB1 ALA A 93 -10.004 1.813 0.066 1.00 0.66 H new ATOM 0 HB2 ALA A 93 -8.287 1.371 0.215 1.00 0.66 H new ATOM 0 HB3 ALA A 93 -9.124 2.160 1.573 1.00 0.66 H new ATOM 1522 N ARG A 94 -9.920 5.325 -0.633 1.00 0.91 N ATOM 1523 CA ARG A 94 -10.716 6.499 -0.345 1.00 1.26 C ATOM 1524 C ARG A 94 -11.963 6.553 -1.136 1.00 0.70 C ATOM 1525 O ARG A 94 -12.078 5.988 -2.214 1.00 1.17 O ATOM 1526 CB ARG A 94 -9.945 7.796 -0.578 1.00 2.35 C ATOM 1527 CG ARG A 94 -8.642 7.908 0.181 1.00 3.37 C ATOM 1528 CD ARG A 94 -8.279 9.367 0.412 1.00 4.38 C ATOM 1529 NE ARG A 94 -8.324 10.153 -0.822 1.00 5.11 N ATOM 1530 CZ ARG A 94 -7.856 11.396 -0.933 1.00 6.01 C ATOM 1531 NH1 ARG A 94 -7.287 11.992 0.108 1.00 6.36 N ATOM 1532 NH2 ARG A 94 -7.961 12.043 -2.087 1.00 6.80 N ATOM 0 H ARG A 94 -9.591 5.252 -1.596 1.00 0.91 H new ATOM 0 HA ARG A 94 -10.968 6.410 0.712 1.00 1.26 H new ATOM 0 HB2 ARG A 94 -9.737 7.891 -1.644 1.00 2.35 H new ATOM 0 HB3 ARG A 94 -10.583 8.635 -0.301 1.00 2.35 H new ATOM 0 HG2 ARG A 94 -8.727 7.393 1.138 1.00 3.37 H new ATOM 0 HG3 ARG A 94 -7.847 7.414 -0.377 1.00 3.37 H new ATOM 0 HD2 ARG A 94 -8.965 9.799 1.140 1.00 4.38 H new ATOM 0 HD3 ARG A 94 -7.279 9.427 0.842 1.00 4.38 H new ATOM 0 HE ARG A 94 -8.739 9.723 -1.648 1.00 5.11 H new ATOM 0 HH11 ARG A 94 -7.207 11.499 0.997 1.00 6.36 H new ATOM 0 HH12 ARG A 94 -6.930 12.943 0.019 1.00 6.36 H new ATOM 0 HH21 ARG A 94 -8.400 11.589 -2.888 1.00 6.80 H new ATOM 0 HH22 ARG A 94 -7.603 12.994 -2.173 1.00 6.80 H new ATOM 1546 N MET A 95 -12.882 7.243 -0.500 1.00 0.84 N ATOM 1547 CA MET A 95 -14.186 7.593 -1.012 1.00 1.41 C ATOM 1548 C MET A 95 -14.295 7.462 -2.537 1.00 1.48 C ATOM 1549 O MET A 95 -15.132 6.714 -3.048 1.00 2.12 O ATOM 1550 CB MET A 95 -14.476 9.042 -0.604 1.00 2.09 C ATOM 1551 CG MET A 95 -13.842 9.445 0.727 1.00 2.32 C ATOM 1552 SD MET A 95 -14.127 11.174 1.152 1.00 3.26 S ATOM 1553 CE MET A 95 -13.264 12.004 -0.181 1.00 3.27 C ATOM 0 H MET A 95 -12.729 7.596 0.445 1.00 0.84 H new ATOM 0 HA MET A 95 -14.911 6.897 -0.591 1.00 1.41 H new ATOM 0 HB2 MET A 95 -14.113 9.710 -1.386 1.00 2.09 H new ATOM 0 HB3 MET A 95 -15.555 9.183 -0.540 1.00 2.09 H new ATOM 0 HG2 MET A 95 -14.241 8.812 1.519 1.00 2.32 H new ATOM 0 HG3 MET A 95 -12.769 9.260 0.682 1.00 2.32 H new ATOM 0 HE1 MET A 95 -13.041 13.030 0.113 1.00 3.27 H new ATOM 0 HE2 MET A 95 -12.334 11.478 -0.396 1.00 3.27 H new ATOM 0 HE3 MET A 95 -13.891 12.010 -1.072 1.00 3.27 H new ATOM 1563 N ASP A 96 -13.441 8.191 -3.252 1.00 1.26 N ATOM 1564 CA ASP A 96 -13.441 8.170 -4.710 1.00 1.45 C ATOM 1565 C ASP A 96 -12.589 7.023 -5.251 1.00 1.30 C ATOM 1566 O ASP A 96 -13.101 6.128 -5.921 1.00 1.97 O ATOM 1567 CB ASP A 96 -12.930 9.500 -5.267 1.00 1.76 C ATOM 1568 CG ASP A 96 -13.886 10.645 -5.012 1.00 2.34 C ATOM 1569 OD1 ASP A 96 -14.692 10.972 -5.910 1.00 2.78 O ATOM 1570 OD2 ASP A 96 -13.840 11.229 -3.905 1.00 2.86 O ATOM 0 H ASP A 96 -12.738 8.806 -2.842 1.00 1.26 H new ATOM 0 HA ASP A 96 -14.470 8.016 -5.035 1.00 1.45 H new ATOM 0 HB2 ASP A 96 -11.965 9.731 -4.817 1.00 1.76 H new ATOM 0 HB3 ASP A 96 -12.766 9.401 -6.340 1.00 1.76 H new ATOM 1575 N ALA A 97 -11.297 7.042 -4.945 1.00 0.84 N ATOM 1576 CA ALA A 97 -10.369 6.047 -5.474 1.00 0.62 C ATOM 1577 C ALA A 97 -9.281 5.713 -4.476 1.00 0.60 C ATOM 1578 O ALA A 97 -9.215 6.269 -3.379 1.00 0.92 O ATOM 1579 CB ALA A 97 -9.712 6.542 -6.758 1.00 0.55 C ATOM 0 H ALA A 97 -10.867 7.736 -4.333 1.00 0.84 H new ATOM 0 HA ALA A 97 -10.955 5.151 -5.679 1.00 0.62 H new ATOM 0 HB1 ALA A 97 -9.025 5.782 -7.132 1.00 0.55 H new ATOM 0 HB2 ALA A 97 -10.479 6.738 -7.507 1.00 0.55 H new ATOM 0 HB3 ALA A 97 -9.161 7.460 -6.554 1.00 0.55 H new ATOM 1585 N ILE A 98 -8.430 4.798 -4.890 1.00 0.39 N ATOM 1586 CA ILE A 98 -7.244 4.436 -4.153 1.00 0.34 C ATOM 1587 C ILE A 98 -6.116 5.351 -4.574 1.00 0.32 C ATOM 1588 O ILE A 98 -5.776 5.432 -5.755 1.00 0.35 O ATOM 1589 CB ILE A 98 -6.872 2.970 -4.419 1.00 0.37 C ATOM 1590 CG1 ILE A 98 -7.963 2.083 -3.807 1.00 0.46 C ATOM 1591 CG2 ILE A 98 -5.482 2.639 -3.820 1.00 0.38 C ATOM 1592 CD1 ILE A 98 -7.608 1.579 -2.451 1.00 0.50 C ATOM 0 H ILE A 98 -8.547 4.279 -5.760 1.00 0.39 H new ATOM 0 HA ILE A 98 -7.428 4.545 -3.084 1.00 0.34 H new ATOM 0 HB ILE A 98 -6.809 2.788 -5.492 1.00 0.37 H new ATOM 0 HG12 ILE A 98 -8.893 2.649 -3.747 1.00 0.46 H new ATOM 0 HG13 ILE A 98 -8.148 1.236 -4.467 1.00 0.46 H new ATOM 0 HG21 ILE A 98 -5.239 1.596 -4.020 1.00 0.38 H new ATOM 0 HG22 ILE A 98 -4.728 3.281 -4.275 1.00 0.38 H new ATOM 0 HG23 ILE A 98 -5.500 2.807 -2.743 1.00 0.38 H new ATOM 0 HD11 ILE A 98 -8.419 0.958 -2.070 1.00 0.50 H new ATOM 0 HD12 ILE A 98 -6.694 0.987 -2.510 1.00 0.50 H new ATOM 0 HD13 ILE A 98 -7.451 2.423 -1.779 1.00 0.50 H new ATOM 1604 N TYR A 99 -5.552 6.055 -3.618 1.00 0.40 N ATOM 1605 CA TYR A 99 -4.558 7.064 -3.944 1.00 0.53 C ATOM 1606 C TYR A 99 -3.203 6.678 -3.387 1.00 0.63 C ATOM 1607 O TYR A 99 -3.102 6.190 -2.264 1.00 0.86 O ATOM 1608 CB TYR A 99 -5.019 8.462 -3.472 1.00 0.79 C ATOM 1609 CG TYR A 99 -4.445 8.975 -2.164 1.00 1.11 C ATOM 1610 CD1 TYR A 99 -5.207 9.001 -1.002 1.00 1.77 C ATOM 1611 CD2 TYR A 99 -3.130 9.393 -2.086 1.00 1.50 C ATOM 1612 CE1 TYR A 99 -4.672 9.441 0.190 1.00 2.60 C ATOM 1613 CE2 TYR A 99 -2.590 9.834 -0.893 1.00 2.26 C ATOM 1614 CZ TYR A 99 -3.423 9.972 0.219 1.00 2.77 C ATOM 1615 OH TYR A 99 -2.831 10.302 1.425 1.00 3.67 O ATOM 0 H TYR A 99 -5.757 5.954 -2.624 1.00 0.40 H new ATOM 0 HA TYR A 99 -4.452 7.118 -5.027 1.00 0.53 H new ATOM 0 HB2 TYR A 99 -4.774 9.181 -4.254 1.00 0.79 H new ATOM 0 HB3 TYR A 99 -6.105 8.447 -3.382 1.00 0.79 H new ATOM 0 HD1 TYR A 99 -6.235 8.671 -1.033 1.00 1.77 H new ATOM 0 HD2 TYR A 99 -2.514 9.375 -2.973 1.00 1.50 H new ATOM 0 HE1 TYR A 99 -5.247 9.363 1.101 1.00 2.60 H new ATOM 0 HE2 TYR A 99 -1.538 10.069 -0.822 1.00 2.26 H new ATOM 0 HH TYR A 99 -2.757 9.500 1.983 1.00 3.67 H new ATOM 1625 N PHE A 100 -2.167 6.881 -4.191 1.00 0.72 N ATOM 1626 CA PHE A 100 -0.819 6.524 -3.788 1.00 0.91 C ATOM 1627 C PHE A 100 -0.059 7.774 -3.366 1.00 1.25 C ATOM 1628 O PHE A 100 -0.420 8.887 -3.756 1.00 1.90 O ATOM 1629 CB PHE A 100 -0.075 5.802 -4.922 1.00 1.20 C ATOM 1630 CG PHE A 100 0.500 6.707 -5.979 1.00 1.73 C ATOM 1631 CD1 PHE A 100 1.861 6.976 -6.009 1.00 2.22 C ATOM 1632 CD2 PHE A 100 -0.312 7.280 -6.941 1.00 2.19 C ATOM 1633 CE1 PHE A 100 2.397 7.799 -6.980 1.00 2.83 C ATOM 1634 CE2 PHE A 100 0.220 8.105 -7.913 1.00 2.91 C ATOM 1635 CZ PHE A 100 1.575 8.364 -7.933 1.00 3.12 C ATOM 0 H PHE A 100 -2.237 7.290 -5.123 1.00 0.72 H new ATOM 0 HA PHE A 100 -0.882 5.840 -2.942 1.00 0.91 H new ATOM 0 HB2 PHE A 100 0.734 5.213 -4.489 1.00 1.20 H new ATOM 0 HB3 PHE A 100 -0.760 5.101 -5.398 1.00 1.20 H new ATOM 0 HD1 PHE A 100 2.509 6.537 -5.265 1.00 2.22 H new ATOM 0 HD2 PHE A 100 -1.373 7.080 -6.932 1.00 2.19 H new ATOM 0 HE1 PHE A 100 3.458 8.000 -6.993 1.00 2.83 H new ATOM 0 HE2 PHE A 100 -0.425 8.547 -8.658 1.00 2.91 H new ATOM 0 HZ PHE A 100 1.991 9.008 -8.693 1.00 3.12 H new ATOM 1645 N LYS A 101 0.989 7.597 -2.580 1.00 1.07 N ATOM 1646 CA LYS A 101 1.759 8.723 -2.085 1.00 1.43 C ATOM 1647 C LYS A 101 3.240 8.394 -1.994 1.00 1.37 C ATOM 1648 O LYS A 101 3.625 7.310 -1.559 1.00 1.55 O ATOM 1649 CB LYS A 101 1.230 9.150 -0.717 1.00 2.06 C ATOM 1650 CG LYS A 101 2.100 10.175 -0.001 1.00 2.92 C ATOM 1651 CD LYS A 101 1.635 10.393 1.429 1.00 3.76 C ATOM 1652 CE LYS A 101 0.274 11.067 1.483 1.00 4.58 C ATOM 1653 NZ LYS A 101 -0.336 10.971 2.831 1.00 5.15 N ATOM 0 H LYS A 101 1.325 6.685 -2.272 1.00 1.07 H new ATOM 0 HA LYS A 101 1.647 9.544 -2.793 1.00 1.43 H new ATOM 0 HB2 LYS A 101 0.229 9.563 -0.840 1.00 2.06 H new ATOM 0 HB3 LYS A 101 1.135 8.267 -0.085 1.00 2.06 H new ATOM 0 HG2 LYS A 101 3.137 9.838 -0.001 1.00 2.92 H new ATOM 0 HG3 LYS A 101 2.072 11.120 -0.543 1.00 2.92 H new ATOM 0 HD2 LYS A 101 1.587 9.434 1.946 1.00 3.76 H new ATOM 0 HD3 LYS A 101 2.365 11.005 1.959 1.00 3.76 H new ATOM 0 HE2 LYS A 101 0.377 12.116 1.205 1.00 4.58 H new ATOM 0 HE3 LYS A 101 -0.389 10.606 0.751 1.00 4.58 H new ATOM 0 HZ1 LYS A 101 -0.685 11.907 3.121 1.00 5.15 H new ATOM 0 HZ2 LYS A 101 -1.128 10.298 2.806 1.00 5.15 H new ATOM 0 HZ3 LYS A 101 0.377 10.641 3.512 1.00 5.15 H new ATOM 1667 N MET A 102 4.049 9.347 -2.420 1.00 1.76 N ATOM 1668 CA MET A 102 5.492 9.276 -2.302 1.00 2.21 C ATOM 1669 C MET A 102 6.027 10.692 -2.196 1.00 2.42 C ATOM 1670 O MET A 102 5.416 11.617 -2.718 1.00 2.62 O ATOM 1671 CB MET A 102 6.097 8.567 -3.517 1.00 2.82 C ATOM 1672 CG MET A 102 7.615 8.632 -3.565 1.00 3.61 C ATOM 1673 SD MET A 102 8.390 7.983 -2.070 1.00 4.57 S ATOM 1674 CE MET A 102 10.112 8.346 -2.402 1.00 5.14 C ATOM 0 H MET A 102 3.717 10.203 -2.864 1.00 1.76 H new ATOM 0 HA MET A 102 5.765 8.704 -1.415 1.00 2.21 H new ATOM 0 HB2 MET A 102 5.786 7.522 -3.510 1.00 2.82 H new ATOM 0 HB3 MET A 102 5.693 9.013 -4.426 1.00 2.82 H new ATOM 0 HG2 MET A 102 7.971 8.069 -4.427 1.00 3.61 H new ATOM 0 HG3 MET A 102 7.925 9.667 -3.710 1.00 3.61 H new ATOM 0 HE1 MET A 102 10.723 8.004 -1.567 1.00 5.14 H new ATOM 0 HE2 MET A 102 10.423 7.834 -3.313 1.00 5.14 H new ATOM 0 HE3 MET A 102 10.239 9.421 -2.529 1.00 5.14 H new ATOM 1684 N ASP A 103 7.143 10.868 -1.511 1.00 2.92 N ATOM 1685 CA ASP A 103 7.730 12.191 -1.353 1.00 3.46 C ATOM 1686 C ASP A 103 8.232 12.729 -2.678 1.00 3.62 C ATOM 1687 O ASP A 103 8.446 11.967 -3.625 1.00 3.77 O ATOM 1688 CB ASP A 103 8.889 12.165 -0.376 1.00 4.39 C ATOM 1689 CG ASP A 103 8.488 11.713 1.013 1.00 5.03 C ATOM 1690 OD1 ASP A 103 8.496 10.493 1.273 1.00 5.64 O ATOM 1691 OD2 ASP A 103 8.172 12.574 1.862 1.00 5.25 O ATOM 0 H ASP A 103 7.661 10.116 -1.056 1.00 2.92 H new ATOM 0 HA ASP A 103 6.943 12.840 -0.969 1.00 3.46 H new ATOM 0 HB2 ASP A 103 9.663 11.500 -0.758 1.00 4.39 H new ATOM 0 HB3 ASP A 103 9.327 13.161 -0.315 1.00 4.39 H new ATOM 1696 N GLU A 104 8.406 14.051 -2.728 1.00 4.02 N ATOM 1697 CA GLU A 104 8.897 14.760 -3.910 1.00 4.43 C ATOM 1698 C GLU A 104 7.816 14.833 -4.991 1.00 4.28 C ATOM 1699 O GLU A 104 7.901 15.634 -5.924 1.00 4.73 O ATOM 1700 CB GLU A 104 10.166 14.108 -4.457 1.00 4.95 C ATOM 1701 CG GLU A 104 10.825 14.899 -5.574 1.00 5.34 C ATOM 1702 CD GLU A 104 11.964 14.155 -6.234 1.00 6.03 C ATOM 1703 OE1 GLU A 104 11.723 13.454 -7.235 1.00 6.26 O ATOM 1704 OE2 GLU A 104 13.109 14.261 -5.746 1.00 6.61 O ATOM 0 H GLU A 104 8.207 14.666 -1.939 1.00 4.02 H new ATOM 0 HA GLU A 104 9.146 15.777 -3.608 1.00 4.43 H new ATOM 0 HB2 GLU A 104 10.880 13.982 -3.643 1.00 4.95 H new ATOM 0 HB3 GLU A 104 9.923 13.111 -4.824 1.00 4.95 H new ATOM 0 HG2 GLU A 104 10.076 15.147 -6.326 1.00 5.34 H new ATOM 0 HG3 GLU A 104 11.198 15.841 -5.173 1.00 5.34 H new ATOM 1711 N ARG A 105 6.795 14.004 -4.852 1.00 3.93 N ATOM 1712 CA ARG A 105 5.697 13.987 -5.811 1.00 3.96 C ATOM 1713 C ARG A 105 4.346 14.067 -5.094 1.00 3.41 C ATOM 1714 O ARG A 105 4.238 13.709 -3.923 1.00 3.35 O ATOM 1715 CB ARG A 105 5.792 12.738 -6.695 1.00 4.49 C ATOM 1716 CG ARG A 105 5.662 11.416 -5.956 1.00 4.98 C ATOM 1717 CD ARG A 105 5.865 10.239 -6.899 1.00 5.81 C ATOM 1718 NE ARG A 105 4.934 10.279 -8.024 1.00 6.29 N ATOM 1719 CZ ARG A 105 4.999 9.476 -9.087 1.00 7.10 C ATOM 1720 NH1 ARG A 105 5.932 8.532 -9.167 1.00 7.50 N ATOM 1721 NH2 ARG A 105 4.117 9.615 -10.068 1.00 7.74 N ATOM 0 H ARG A 105 6.701 13.335 -4.088 1.00 3.93 H new ATOM 0 HA ARG A 105 5.775 14.864 -6.453 1.00 3.96 H new ATOM 0 HB2 ARG A 105 5.013 12.790 -7.456 1.00 4.49 H new ATOM 0 HB3 ARG A 105 6.749 12.753 -7.217 1.00 4.49 H new ATOM 0 HG2 ARG A 105 6.396 11.372 -5.151 1.00 4.98 H new ATOM 0 HG3 ARG A 105 4.677 11.350 -5.493 1.00 4.98 H new ATOM 0 HD2 ARG A 105 6.889 10.246 -7.274 1.00 5.81 H new ATOM 0 HD3 ARG A 105 5.732 9.307 -6.350 1.00 5.81 H new ATOM 0 HE ARG A 105 4.183 10.968 -7.995 1.00 6.29 H new ATOM 0 HH11 ARG A 105 6.607 8.417 -8.411 1.00 7.50 H new ATOM 0 HH12 ARG A 105 5.973 7.923 -9.984 1.00 7.50 H new ATOM 0 HH21 ARG A 105 3.395 10.333 -10.007 1.00 7.74 H new ATOM 0 HH22 ARG A 105 4.161 9.004 -10.884 1.00 7.74 H new ATOM 1735 N PRO A 106 3.302 14.569 -5.778 1.00 3.33 N ATOM 1736 CA PRO A 106 1.987 14.792 -5.174 1.00 3.10 C ATOM 1737 C PRO A 106 1.151 13.514 -5.062 1.00 2.43 C ATOM 1738 O PRO A 106 0.912 12.832 -6.060 1.00 2.29 O ATOM 1739 CB PRO A 106 1.304 15.784 -6.135 1.00 3.53 C ATOM 1740 CG PRO A 106 2.308 16.096 -7.201 1.00 4.00 C ATOM 1741 CD PRO A 106 3.310 14.979 -7.185 1.00 3.83 C ATOM 0 HA PRO A 106 2.084 15.156 -4.151 1.00 3.10 H new ATOM 0 HB2 PRO A 106 0.402 15.349 -6.566 1.00 3.53 H new ATOM 0 HB3 PRO A 106 1.002 16.689 -5.609 1.00 3.53 H new ATOM 0 HG2 PRO A 106 1.827 16.171 -8.176 1.00 4.00 H new ATOM 0 HG3 PRO A 106 2.792 17.054 -7.009 1.00 4.00 H new ATOM 0 HD2 PRO A 106 3.020 14.163 -7.847 1.00 3.83 H new ATOM 0 HD3 PRO A 106 4.297 15.314 -7.505 1.00 3.83 H new ATOM 1749 N PRO A 107 0.689 13.178 -3.841 1.00 2.31 N ATOM 1750 CA PRO A 107 -0.206 12.033 -3.610 1.00 1.85 C ATOM 1751 C PRO A 107 -1.496 12.156 -4.422 1.00 1.51 C ATOM 1752 O PRO A 107 -2.179 13.182 -4.354 1.00 1.80 O ATOM 1753 CB PRO A 107 -0.513 12.108 -2.110 1.00 2.23 C ATOM 1754 CG PRO A 107 -0.126 13.483 -1.688 1.00 2.91 C ATOM 1755 CD PRO A 107 0.998 13.890 -2.592 1.00 2.93 C ATOM 0 HA PRO A 107 0.247 11.089 -3.912 1.00 1.85 H new ATOM 0 HB2 PRO A 107 -1.569 11.922 -1.917 1.00 2.23 H new ATOM 0 HB3 PRO A 107 0.050 11.356 -1.557 1.00 2.23 H new ATOM 0 HG2 PRO A 107 -0.967 14.170 -1.777 1.00 2.91 H new ATOM 0 HG3 PRO A 107 0.188 13.497 -0.644 1.00 2.91 H new ATOM 0 HD2 PRO A 107 1.028 14.970 -2.739 1.00 2.93 H new ATOM 0 HD3 PRO A 107 1.967 13.597 -2.189 1.00 2.93 H new ATOM 1763 N GLN A 108 -1.841 11.127 -5.185 1.00 1.09 N ATOM 1764 CA GLN A 108 -2.980 11.220 -6.091 1.00 0.94 C ATOM 1765 C GLN A 108 -3.638 9.857 -6.325 1.00 0.70 C ATOM 1766 O GLN A 108 -2.989 8.815 -6.214 1.00 0.64 O ATOM 1767 CB GLN A 108 -2.530 11.826 -7.423 1.00 1.18 C ATOM 1768 CG GLN A 108 -1.484 11.001 -8.151 1.00 1.72 C ATOM 1769 CD GLN A 108 -0.942 11.691 -9.386 1.00 2.15 C ATOM 1770 OE1 GLN A 108 -0.868 13.012 -9.349 1.00 2.57 O flip ATOM 1771 NE2 GLN A 108 -0.581 11.040 -10.366 1.00 2.71 N flip ATOM 0 H GLN A 108 -1.357 10.229 -5.196 1.00 1.09 H new ATOM 0 HA GLN A 108 -3.726 11.865 -5.627 1.00 0.94 H new ATOM 0 HB2 GLN A 108 -3.400 11.945 -8.069 1.00 1.18 H new ATOM 0 HB3 GLN A 108 -2.130 12.823 -7.241 1.00 1.18 H new ATOM 0 HG2 GLN A 108 -0.660 10.786 -7.470 1.00 1.72 H new ATOM 0 HG3 GLN A 108 -1.919 10.044 -8.438 1.00 1.72 H new ATOM 0 HE21 GLN A 108 -0.653 10.023 -10.357 1.00 2.71 H new ATOM 0 HE22 GLN A 108 -0.209 11.518 -11.187 1.00 2.71 H new ATOM 1780 N PRO A 109 -4.955 9.862 -6.618 1.00 0.68 N ATOM 1781 CA PRO A 109 -5.714 8.650 -6.958 1.00 0.55 C ATOM 1782 C PRO A 109 -5.154 7.953 -8.189 1.00 0.56 C ATOM 1783 O PRO A 109 -5.041 8.559 -9.255 1.00 0.80 O ATOM 1784 CB PRO A 109 -7.121 9.174 -7.255 1.00 0.65 C ATOM 1785 CG PRO A 109 -7.198 10.484 -6.557 1.00 0.82 C ATOM 1786 CD PRO A 109 -5.815 11.059 -6.624 1.00 0.91 C ATOM 0 HA PRO A 109 -5.678 7.913 -6.156 1.00 0.55 H new ATOM 0 HB2 PRO A 109 -7.282 9.288 -8.327 1.00 0.65 H new ATOM 0 HB3 PRO A 109 -7.884 8.486 -6.889 1.00 0.65 H new ATOM 0 HG2 PRO A 109 -7.920 11.143 -7.039 1.00 0.82 H new ATOM 0 HG3 PRO A 109 -7.521 10.359 -5.523 1.00 0.82 H new ATOM 0 HD2 PRO A 109 -5.670 11.655 -7.525 1.00 0.91 H new ATOM 0 HD3 PRO A 109 -5.607 11.709 -5.774 1.00 0.91 H new ATOM 1794 N LEU A 110 -4.808 6.683 -8.048 1.00 0.49 N ATOM 1795 CA LEU A 110 -4.231 5.935 -9.153 1.00 0.61 C ATOM 1796 C LEU A 110 -4.853 4.551 -9.264 1.00 0.51 C ATOM 1797 O LEU A 110 -4.527 3.781 -10.171 1.00 0.62 O ATOM 1798 CB LEU A 110 -2.718 5.814 -8.967 1.00 0.83 C ATOM 1799 CG LEU A 110 -1.944 5.286 -10.178 1.00 1.22 C ATOM 1800 CD1 LEU A 110 -2.036 6.263 -11.340 1.00 1.89 C ATOM 1801 CD2 LEU A 110 -0.491 5.026 -9.813 1.00 1.61 C ATOM 0 H LEU A 110 -4.916 6.151 -7.184 1.00 0.49 H new ATOM 0 HA LEU A 110 -4.441 6.476 -10.076 1.00 0.61 H new ATOM 0 HB2 LEU A 110 -2.322 6.795 -8.705 1.00 0.83 H new ATOM 0 HB3 LEU A 110 -2.525 5.156 -8.120 1.00 0.83 H new ATOM 0 HG LEU A 110 -2.394 4.343 -10.487 1.00 1.22 H new ATOM 0 HD11 LEU A 110 -1.480 5.870 -12.191 1.00 1.89 H new ATOM 0 HD12 LEU A 110 -3.081 6.398 -11.620 1.00 1.89 H new ATOM 0 HD13 LEU A 110 -1.614 7.223 -11.043 1.00 1.89 H new ATOM 0 HD21 LEU A 110 0.042 4.651 -10.687 1.00 1.61 H new ATOM 0 HD22 LEU A 110 -0.029 5.954 -9.476 1.00 1.61 H new ATOM 0 HD23 LEU A 110 -0.443 4.286 -9.014 1.00 1.61 H new ATOM 1813 N ASN A 111 -5.761 4.241 -8.357 1.00 0.42 N ATOM 1814 CA ASN A 111 -6.402 2.946 -8.334 1.00 0.48 C ATOM 1815 C ASN A 111 -7.776 3.161 -7.789 1.00 0.42 C ATOM 1816 O ASN A 111 -8.139 4.295 -7.514 1.00 0.50 O ATOM 1817 CB ASN A 111 -5.625 1.941 -7.467 1.00 0.60 C ATOM 1818 CG ASN A 111 -4.405 1.368 -8.166 1.00 1.17 C ATOM 1819 OD1 ASN A 111 -3.309 1.924 -8.083 1.00 1.86 O ATOM 1820 ND2 ASN A 111 -4.583 0.248 -8.851 1.00 1.75 N ATOM 0 H ASN A 111 -6.071 4.877 -7.622 1.00 0.42 H new ATOM 0 HA ASN A 111 -6.434 2.521 -9.337 1.00 0.48 H new ATOM 0 HB2 ASN A 111 -5.311 2.432 -6.546 1.00 0.60 H new ATOM 0 HB3 ASN A 111 -6.290 1.125 -7.183 1.00 0.60 H new ATOM 0 HD21 ASN A 111 -3.796 -0.185 -9.334 1.00 1.75 H new ATOM 0 HD22 ASN A 111 -5.507 -0.181 -8.895 1.00 1.75 H new ATOM 1827 N LYS A 112 -8.551 2.127 -7.639 1.00 0.59 N ATOM 1828 CA LYS A 112 -9.824 2.284 -6.991 1.00 0.60 C ATOM 1829 C LYS A 112 -10.146 1.060 -6.195 1.00 0.72 C ATOM 1830 O LYS A 112 -9.838 -0.056 -6.585 1.00 0.84 O ATOM 1831 CB LYS A 112 -10.942 2.524 -7.978 1.00 0.72 C ATOM 1832 CG LYS A 112 -12.233 3.015 -7.347 1.00 1.33 C ATOM 1833 CD LYS A 112 -13.413 2.804 -8.278 1.00 1.68 C ATOM 1834 CE LYS A 112 -14.713 3.266 -7.647 1.00 2.31 C ATOM 1835 NZ LYS A 112 -15.894 2.768 -8.397 1.00 2.93 N ATOM 0 H LYS A 112 -8.332 1.181 -7.950 1.00 0.59 H new ATOM 0 HA LYS A 112 -9.745 3.156 -6.342 1.00 0.60 H new ATOM 0 HB2 LYS A 112 -10.610 3.255 -8.716 1.00 0.72 H new ATOM 0 HB3 LYS A 112 -11.143 1.597 -8.515 1.00 0.72 H new ATOM 0 HG2 LYS A 112 -12.407 2.487 -6.410 1.00 1.33 H new ATOM 0 HG3 LYS A 112 -12.143 4.074 -7.104 1.00 1.33 H new ATOM 0 HD2 LYS A 112 -13.246 3.348 -9.207 1.00 1.68 H new ATOM 0 HD3 LYS A 112 -13.489 1.748 -8.536 1.00 1.68 H new ATOM 0 HE2 LYS A 112 -14.762 2.915 -6.616 1.00 2.31 H new ATOM 0 HE3 LYS A 112 -14.735 4.355 -7.615 1.00 2.31 H new ATOM 0 HZ1 LYS A 112 -16.753 3.237 -8.044 1.00 2.93 H new ATOM 0 HZ2 LYS A 112 -15.777 2.978 -9.409 1.00 2.93 H new ATOM 0 HZ3 LYS A 112 -15.981 1.740 -8.265 1.00 2.93 H new ATOM 1849 N TRP A 113 -10.815 1.299 -5.112 1.00 0.77 N ATOM 1850 CA TRP A 113 -11.183 0.266 -4.181 1.00 0.97 C ATOM 1851 C TRP A 113 -12.234 -0.637 -4.789 1.00 1.02 C ATOM 1852 O TRP A 113 -12.704 -0.397 -5.900 1.00 1.12 O ATOM 1853 CB TRP A 113 -11.685 0.884 -2.886 1.00 1.07 C ATOM 1854 CG TRP A 113 -12.660 2.002 -3.108 1.00 0.99 C ATOM 1855 CD1 TRP A 113 -12.358 3.292 -3.428 1.00 0.86 C ATOM 1856 CD2 TRP A 113 -14.088 1.931 -3.034 1.00 1.35 C ATOM 1857 NE1 TRP A 113 -13.508 4.026 -3.567 1.00 1.06 N ATOM 1858 CE2 TRP A 113 -14.584 3.216 -3.326 1.00 1.36 C ATOM 1859 CE3 TRP A 113 -14.996 0.910 -2.751 1.00 1.82 C ATOM 1860 CZ2 TRP A 113 -15.946 3.502 -3.344 1.00 1.79 C ATOM 1861 CZ3 TRP A 113 -16.348 1.195 -2.767 1.00 2.23 C ATOM 1862 CH2 TRP A 113 -16.812 2.483 -3.062 1.00 2.20 C ATOM 0 H TRP A 113 -11.129 2.231 -4.840 1.00 0.77 H new ATOM 0 HA TRP A 113 -10.304 -0.338 -3.956 1.00 0.97 H new ATOM 0 HB2 TRP A 113 -12.159 0.111 -2.281 1.00 1.07 H new ATOM 0 HB3 TRP A 113 -10.835 1.259 -2.316 1.00 1.07 H new ATOM 0 HD1 TRP A 113 -11.358 3.680 -3.554 1.00 0.86 H new ATOM 0 HE1 TRP A 113 -13.554 5.015 -3.811 1.00 1.06 H new ATOM 0 HE3 TRP A 113 -14.648 -0.087 -2.523 1.00 1.82 H new ATOM 0 HZ2 TRP A 113 -16.306 4.494 -3.573 1.00 1.79 H new ATOM 0 HZ3 TRP A 113 -17.059 0.412 -2.548 1.00 2.23 H new ATOM 0 HH2 TRP A 113 -17.875 2.675 -3.067 1.00 2.20 H new ATOM 1873 N ARG A 114 -12.604 -1.664 -4.056 1.00 1.34 N ATOM 1874 CA ARG A 114 -13.452 -2.695 -4.596 1.00 1.50 C ATOM 1875 C ARG A 114 -14.795 -2.192 -5.088 1.00 1.82 C ATOM 1876 O ARG A 114 -15.568 -1.561 -4.372 1.00 2.41 O ATOM 1877 CB ARG A 114 -13.591 -3.852 -3.626 1.00 1.80 C ATOM 1878 CG ARG A 114 -13.691 -3.477 -2.149 1.00 2.76 C ATOM 1879 CD ARG A 114 -15.060 -2.931 -1.780 1.00 3.56 C ATOM 1880 NE ARG A 114 -15.180 -2.696 -0.344 1.00 4.38 N ATOM 1881 CZ ARG A 114 -16.155 -1.988 0.221 1.00 5.34 C ATOM 1882 NH1 ARG A 114 -17.107 -1.442 -0.522 1.00 5.63 N ATOM 1883 NH2 ARG A 114 -16.180 -1.840 1.538 1.00 6.29 N ATOM 0 H ARG A 114 -12.329 -1.804 -3.084 1.00 1.34 H new ATOM 0 HA ARG A 114 -12.949 -3.064 -5.490 1.00 1.50 H new ATOM 0 HB2 ARG A 114 -14.479 -4.423 -3.897 1.00 1.80 H new ATOM 0 HB3 ARG A 114 -12.735 -4.514 -3.755 1.00 1.80 H new ATOM 0 HG2 ARG A 114 -13.477 -4.355 -1.539 1.00 2.76 H new ATOM 0 HG3 ARG A 114 -12.931 -2.732 -1.914 1.00 2.76 H new ATOM 0 HD2 ARG A 114 -15.237 -1.999 -2.317 1.00 3.56 H new ATOM 0 HD3 ARG A 114 -15.830 -3.634 -2.099 1.00 3.56 H new ATOM 0 HE ARG A 114 -14.470 -3.101 0.266 1.00 4.38 H new ATOM 0 HH11 ARG A 114 -17.096 -1.563 -1.535 1.00 5.63 H new ATOM 0 HH12 ARG A 114 -17.851 -0.901 -0.081 1.00 5.63 H new ATOM 0 HH21 ARG A 114 -15.454 -2.268 2.113 1.00 6.29 H new ATOM 0 HH22 ARG A 114 -16.925 -1.298 1.976 1.00 6.29 H new ATOM 1897 N SER A 115 -15.026 -2.537 -6.333 1.00 2.02 N ATOM 1898 CA SER A 115 -16.197 -2.111 -7.105 1.00 2.76 C ATOM 1899 C SER A 115 -16.433 -0.601 -7.029 1.00 3.19 C ATOM 1900 O SER A 115 -17.245 -0.154 -6.191 1.00 3.60 O ATOM 1901 CB SER A 115 -17.441 -2.870 -6.666 1.00 3.33 C ATOM 1902 OG SER A 115 -17.386 -4.220 -7.092 1.00 4.01 O ATOM 1903 OXT SER A 115 -15.825 0.133 -7.841 1.00 3.62 O ATOM 0 H SER A 115 -14.394 -3.138 -6.862 1.00 2.02 H new ATOM 0 HA SER A 115 -15.989 -2.349 -8.148 1.00 2.76 H new ATOM 0 HB2 SER A 115 -17.532 -2.830 -5.581 1.00 3.33 H new ATOM 0 HB3 SER A 115 -18.329 -2.390 -7.078 1.00 3.33 H new ATOM 0 HG SER A 115 -17.048 -4.780 -6.362 1.00 4.01 H new