USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 857 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 84 GLN : amide:sc= -0.161 X(o=1.1,f=0.98) USER MOD Set 1.2: A 88 THR OG1 : rot 73:sc= 1.23 USER MOD Set 2.1: A 51 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 52 HIS : no HD1:sc= 1.08 K(o=1.1,f=-4.6!) USER MOD Set 3.1: A 22 ASN : amide:sc= -0.0685 K(o=-0.24,f=-2.6) USER MOD Set 3.2: A 25 MET CE :methyl 138:sc= -0.172 (180deg=-1.35) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= 1.32 (180deg=0.185) USER MOD Single : A 2 SER OG : rot -6:sc= 1.01 USER MOD Single : A 11 LYS NZ :NH3+ 145:sc= 1.27 (180deg=0.439) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.025 F(o=-0.83,f=-0.025) USER MOD Single : A 16 LYS NZ :NH3+ -134:sc= 2.39 (180deg=-0.179!) USER MOD Single : A 18 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0149) USER MOD Single : A 20 ASN : amide:sc= 1.19 K(o=1.2,f=-0.044) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 38 SER OG : rot -83:sc= 1.36 USER MOD Single : A 40 ASN : amide:sc= -2.47! C(o=-2.5!,f=-9.4!) USER MOD Single : A 42 LYS NZ :NH3+ -162:sc= -0.0308 (180deg=-0.295) USER MOD Single : A 43 THR OG1 : rot -152:sc= 0.398 USER MOD Single : A 44 SER OG : rot -56:sc= 1.3 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0107 USER MOD Single : A 49 TYR OH : rot 178:sc= 0.116 USER MOD Single : A 50 SER OG : rot 97:sc= 1.26 USER MOD Single : A 58 LYS NZ :NH3+ 160:sc= 1.17 (180deg=0.326) USER MOD Single : A 59 ASN : amide:sc= -1.01 X(o=-1,f=-0.63) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot -15:sc= -0.0336 USER MOD Single : A 65 MET CE :methyl -115:sc= -0.347 (180deg=-1.33) USER MOD Single : A 71 GLN : amide:sc= -0.752 K(o=-0.75,f=-1.4) USER MOD Single : A 73 TYR OH : rot -123:sc= -1.46 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -165:sc= -1.66! (180deg=-2.28!) USER MOD Single : A 76 LYS NZ :NH3+ 151:sc= 1.06 (180deg=0.382) USER MOD Single : A 81 ASN : amide:sc= -0.106 K(o=-0.11,f=-2.9!) USER MOD Single : A 83 ASN : amide:sc= -1.01 K(o=-1,f=-3.7!) USER MOD Single : A 89 THR OG1 : rot -79:sc= 0.84 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HE2:sc= -0.122 K(o=-0.12,f=-7.3!) USER MOD Single : A 97 HIS : no HD1:sc= -0.064 X(o=-0.064,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.414 12.486 10.682 1.00 0.00 N ATOM 2 CA MET A 1 2.739 12.775 9.416 1.00 0.00 C ATOM 3 C MET A 1 2.359 11.480 8.705 1.00 0.00 C ATOM 4 O MET A 1 3.183 10.571 8.557 1.00 0.00 O ATOM 5 CB MET A 1 3.595 13.680 8.484 1.00 0.00 C ATOM 6 CG MET A 1 4.927 13.087 8.002 1.00 0.00 C ATOM 7 SD MET A 1 6.090 12.730 9.339 1.00 0.00 S ATOM 8 CE MET A 1 7.473 12.071 8.405 1.00 0.00 C ATOM 0 H1 MET A 1 3.277 13.281 11.338 1.00 0.00 H new ATOM 0 H2 MET A 1 3.015 11.621 11.099 1.00 0.00 H new ATOM 0 H3 MET A 1 4.431 12.350 10.510 1.00 0.00 H new ATOM 0 HA MET A 1 1.831 13.329 9.654 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.997 13.935 7.609 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.805 14.612 9.009 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.727 12.168 7.451 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.392 13.782 7.304 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.278 11.801 9.088 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.152 11.186 7.855 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.830 12.825 7.703 1.00 0.00 H new ATOM 20 N SER A 2 1.110 11.400 8.296 1.00 0.00 N ATOM 21 CA SER A 2 0.523 10.281 7.578 1.00 0.00 C ATOM 22 C SER A 2 -0.833 10.754 7.067 1.00 0.00 C ATOM 23 O SER A 2 -1.441 11.628 7.697 1.00 0.00 O ATOM 24 CB SER A 2 0.310 9.055 8.509 1.00 0.00 C ATOM 25 OG SER A 2 1.530 8.544 9.029 1.00 0.00 O ATOM 0 H SER A 2 0.440 12.151 8.463 1.00 0.00 H new ATOM 0 HA SER A 2 1.186 9.971 6.771 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.342 9.340 9.335 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.202 8.268 7.956 1.00 0.00 H new ATOM 0 HG SER A 2 2.284 9.018 8.620 1.00 0.00 H new ATOM 31 N ILE A 3 -1.294 10.238 5.935 1.00 0.00 N ATOM 32 CA ILE A 3 -2.618 10.602 5.435 1.00 0.00 C ATOM 33 C ILE A 3 -3.715 9.898 6.217 1.00 0.00 C ATOM 34 O ILE A 3 -4.249 8.876 5.815 1.00 0.00 O ATOM 35 CB ILE A 3 -2.800 10.403 3.901 1.00 0.00 C ATOM 36 CG1 ILE A 3 -2.235 9.041 3.437 1.00 0.00 C ATOM 37 CG2 ILE A 3 -2.189 11.561 3.137 1.00 0.00 C ATOM 38 CD1 ILE A 3 -2.437 8.736 1.964 1.00 0.00 C ATOM 0 H ILE A 3 -0.782 9.576 5.352 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.704 11.676 5.599 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.868 10.390 3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.168 9.013 3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.702 8.251 4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.326 11.404 2.067 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.677 12.490 3.433 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.124 11.623 3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.008 7.761 1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.503 8.727 1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.945 9.501 1.363 1.00 0.00 H new ATOM 50 N LEU A 4 -4.032 10.466 7.345 1.00 0.00 N ATOM 51 CA LEU A 4 -4.994 9.910 8.269 1.00 0.00 C ATOM 52 C LEU A 4 -6.406 10.365 7.926 1.00 0.00 C ATOM 53 O LEU A 4 -7.337 10.158 8.694 1.00 0.00 O ATOM 54 CB LEU A 4 -4.620 10.304 9.703 1.00 0.00 C ATOM 55 CG LEU A 4 -3.249 9.808 10.203 1.00 0.00 C ATOM 56 CD1 LEU A 4 -2.934 10.382 11.572 1.00 0.00 C ATOM 57 CD2 LEU A 4 -3.214 8.290 10.255 1.00 0.00 C ATOM 0 H LEU A 4 -3.624 11.346 7.660 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.973 8.823 8.188 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.640 11.391 9.777 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.389 9.924 10.376 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.491 10.152 9.499 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -1.962 10.018 11.904 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.914 11.470 11.514 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.700 10.071 12.282 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.238 7.961 10.610 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.987 7.931 10.934 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.392 7.888 9.258 1.00 0.00 H new ATOM 69 N GLU A 5 -6.552 10.956 6.746 1.00 0.00 N ATOM 70 CA GLU A 5 -7.851 11.391 6.236 1.00 0.00 C ATOM 71 C GLU A 5 -8.700 10.176 5.845 1.00 0.00 C ATOM 72 O GLU A 5 -9.899 10.302 5.564 1.00 0.00 O ATOM 73 CB GLU A 5 -7.693 12.270 4.980 1.00 0.00 C ATOM 74 CG GLU A 5 -6.868 13.534 5.139 1.00 0.00 C ATOM 75 CD GLU A 5 -6.841 14.352 3.858 1.00 0.00 C ATOM 76 OE1 GLU A 5 -7.784 15.137 3.617 1.00 0.00 O ATOM 77 OE2 GLU A 5 -5.873 14.236 3.065 1.00 0.00 O ATOM 0 H GLU A 5 -5.775 11.148 6.114 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.332 11.963 7.029 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.242 11.664 4.194 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.687 12.552 4.634 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.279 14.138 5.948 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.850 13.270 5.424 1.00 0.00 H new ATOM 84 N ASP A 6 -8.077 9.009 5.799 1.00 0.00 N ATOM 85 CA ASP A 6 -8.764 7.813 5.359 1.00 0.00 C ATOM 86 C ASP A 6 -8.966 6.817 6.510 1.00 0.00 C ATOM 87 O ASP A 6 -8.021 6.525 7.256 1.00 0.00 O ATOM 88 CB ASP A 6 -7.987 7.139 4.242 1.00 0.00 C ATOM 89 CG ASP A 6 -8.783 6.058 3.591 1.00 0.00 C ATOM 90 OD1 ASP A 6 -8.755 4.929 4.061 1.00 0.00 O ATOM 91 OD2 ASP A 6 -9.477 6.359 2.600 1.00 0.00 O ATOM 0 H ASP A 6 -7.101 8.868 6.060 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.745 8.119 4.994 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.704 7.882 3.496 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.064 6.720 4.642 1.00 0.00 H new ATOM 96 N PRO A 7 -10.199 6.299 6.686 1.00 0.00 N ATOM 97 CA PRO A 7 -10.507 5.308 7.721 1.00 0.00 C ATOM 98 C PRO A 7 -9.886 3.923 7.463 1.00 0.00 C ATOM 99 O PRO A 7 -9.590 3.198 8.409 1.00 0.00 O ATOM 100 CB PRO A 7 -12.036 5.206 7.699 1.00 0.00 C ATOM 101 CG PRO A 7 -12.493 6.387 6.918 1.00 0.00 C ATOM 102 CD PRO A 7 -11.407 6.679 5.941 1.00 0.00 C ATOM 0 HA PRO A 7 -10.092 5.621 8.679 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.362 4.276 7.234 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.446 5.219 8.709 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.432 6.177 6.406 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.670 7.242 7.571 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.518 6.099 5.025 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.392 7.730 5.653 1.00 0.00 H new ATOM 110 N GLU A 8 -9.664 3.555 6.209 1.00 0.00 N ATOM 111 CA GLU A 8 -9.087 2.246 5.921 1.00 0.00 C ATOM 112 C GLU A 8 -7.604 2.306 6.258 1.00 0.00 C ATOM 113 O GLU A 8 -7.005 1.339 6.735 1.00 0.00 O ATOM 114 CB GLU A 8 -9.277 1.837 4.448 1.00 0.00 C ATOM 115 CG GLU A 8 -10.703 1.937 3.916 1.00 0.00 C ATOM 116 CD GLU A 8 -11.724 1.125 4.690 1.00 0.00 C ATOM 117 OE1 GLU A 8 -12.314 1.655 5.652 1.00 0.00 O ATOM 118 OE2 GLU A 8 -12.015 -0.029 4.313 1.00 0.00 O ATOM 0 H GLU A 8 -9.868 4.128 5.390 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.597 1.494 6.523 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.633 2.462 3.830 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.934 0.809 4.328 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.008 2.983 3.925 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.712 1.612 2.876 1.00 0.00 H new ATOM 125 N PHE A 9 -7.041 3.481 6.043 1.00 0.00 N ATOM 126 CA PHE A 9 -5.647 3.773 6.335 1.00 0.00 C ATOM 127 C PHE A 9 -5.357 3.575 7.826 1.00 0.00 C ATOM 128 O PHE A 9 -4.348 2.962 8.201 1.00 0.00 O ATOM 129 CB PHE A 9 -5.335 5.212 5.904 1.00 0.00 C ATOM 130 CG PHE A 9 -3.896 5.630 6.006 1.00 0.00 C ATOM 131 CD1 PHE A 9 -3.367 6.085 7.203 1.00 0.00 C ATOM 132 CD2 PHE A 9 -3.081 5.596 4.891 1.00 0.00 C ATOM 133 CE1 PHE A 9 -2.057 6.494 7.284 1.00 0.00 C ATOM 134 CE2 PHE A 9 -1.768 6.001 4.968 1.00 0.00 C ATOM 135 CZ PHE A 9 -1.254 6.453 6.166 1.00 0.00 C ATOM 0 H PHE A 9 -7.549 4.275 5.653 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.008 3.087 5.780 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.658 5.339 4.871 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.934 5.891 6.511 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.992 6.119 8.083 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.478 5.248 3.949 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.658 6.847 8.223 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.140 5.965 4.090 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.225 6.774 6.227 1.00 0.00 H new ATOM 145 N VAL A 10 -6.242 4.069 8.685 1.00 0.00 N ATOM 146 CA VAL A 10 -6.045 3.912 10.118 1.00 0.00 C ATOM 147 C VAL A 10 -6.159 2.427 10.512 1.00 0.00 C ATOM 148 O VAL A 10 -5.452 1.951 11.405 1.00 0.00 O ATOM 149 CB VAL A 10 -6.958 4.843 11.004 1.00 0.00 C ATOM 150 CG1 VAL A 10 -8.428 4.488 10.926 1.00 0.00 C ATOM 151 CG2 VAL A 10 -6.479 4.873 12.453 1.00 0.00 C ATOM 0 H VAL A 10 -7.088 4.573 8.419 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.032 4.253 10.333 1.00 0.00 H new ATOM 0 HB VAL A 10 -6.861 5.845 10.586 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.000 5.167 11.559 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.770 4.578 9.895 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.574 3.463 11.268 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.129 5.524 13.038 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.507 3.865 12.867 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.458 5.252 12.491 1.00 0.00 H new ATOM 161 N LYS A 11 -7.028 1.694 9.820 1.00 0.00 N ATOM 162 CA LYS A 11 -7.180 0.249 10.034 1.00 0.00 C ATOM 163 C LYS A 11 -5.880 -0.472 9.692 1.00 0.00 C ATOM 164 O LYS A 11 -5.497 -1.424 10.367 1.00 0.00 O ATOM 165 CB LYS A 11 -8.298 -0.313 9.174 1.00 0.00 C ATOM 166 CG LYS A 11 -9.647 0.296 9.435 1.00 0.00 C ATOM 167 CD LYS A 11 -10.665 -0.248 8.469 1.00 0.00 C ATOM 168 CE LYS A 11 -12.010 0.408 8.648 1.00 0.00 C ATOM 169 NZ LYS A 11 -12.959 -0.029 7.607 1.00 0.00 N ATOM 0 H LYS A 11 -7.643 2.076 9.101 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.426 0.091 11.084 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.043 -0.165 8.125 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.360 -1.389 9.338 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.957 0.083 10.458 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.588 1.380 9.339 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.317 -0.092 7.448 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.763 -1.324 8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.408 0.164 9.633 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.897 1.491 8.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.915 -0.091 8.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.958 0.658 6.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.674 -0.963 7.248 1.00 0.00 H new ATOM 183 N LEU A 12 -5.205 0.007 8.654 1.00 0.00 N ATOM 184 CA LEU A 12 -3.913 -0.537 8.231 1.00 0.00 C ATOM 185 C LEU A 12 -2.866 -0.369 9.317 1.00 0.00 C ATOM 186 O LEU A 12 -2.056 -1.260 9.554 1.00 0.00 O ATOM 187 CB LEU A 12 -3.431 0.148 6.958 1.00 0.00 C ATOM 188 CG LEU A 12 -4.263 -0.063 5.707 1.00 0.00 C ATOM 189 CD1 LEU A 12 -3.702 0.771 4.589 1.00 0.00 C ATOM 190 CD2 LEU A 12 -4.267 -1.526 5.309 1.00 0.00 C ATOM 0 H LEU A 12 -5.535 0.783 8.080 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.054 -1.600 8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.374 1.219 7.150 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.417 -0.194 6.752 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.290 0.240 5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.298 0.621 3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.729 1.823 4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.671 0.474 4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.869 -1.657 4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.246 -1.852 5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.689 -2.122 6.118 1.00 0.00 H new ATOM 202 N ARG A 13 -2.910 0.758 10.005 1.00 0.00 N ATOM 203 CA ARG A 13 -1.946 1.028 11.068 1.00 0.00 C ATOM 204 C ARG A 13 -2.242 0.159 12.285 1.00 0.00 C ATOM 205 O ARG A 13 -1.389 -0.060 13.131 1.00 0.00 O ATOM 206 CB ARG A 13 -1.880 2.509 11.453 1.00 0.00 C ATOM 207 CG ARG A 13 -1.767 3.441 10.268 1.00 0.00 C ATOM 208 CD ARG A 13 -1.153 4.772 10.639 1.00 0.00 C ATOM 209 NE ARG A 13 0.325 4.696 10.705 1.00 0.00 N ATOM 210 CZ ARG A 13 1.129 5.733 10.999 1.00 0.00 C ATOM 211 NH1 ARG A 13 0.631 6.830 11.565 1.00 0.00 N ATOM 212 NH2 ARG A 13 2.440 5.641 10.783 1.00 0.00 N ATOM 0 H ARG A 13 -3.595 1.498 9.852 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.961 0.771 10.678 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.772 2.767 12.023 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.025 2.667 12.111 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.163 2.968 9.494 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.757 3.606 9.843 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.446 5.524 9.907 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.544 5.097 11.603 1.00 0.00 H new ATOM 0 HE ARG A 13 0.763 3.795 10.514 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.365 6.887 11.778 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.245 7.614 11.786 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.834 4.784 10.395 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.050 6.427 11.006 1.00 0.00 H new ATOM 226 N GLN A 14 -3.491 -0.240 12.409 1.00 0.00 N ATOM 227 CA GLN A 14 -3.924 -1.165 13.446 1.00 0.00 C ATOM 228 C GLN A 14 -3.604 -2.628 13.060 1.00 0.00 C ATOM 229 O GLN A 14 -3.537 -3.504 13.917 1.00 0.00 O ATOM 230 CB GLN A 14 -5.413 -0.979 13.715 1.00 0.00 C ATOM 231 CG GLN A 14 -5.751 0.396 14.269 1.00 0.00 C ATOM 232 CD GLN A 14 -7.234 0.652 14.328 1.00 0.00 C ATOM 233 OE1 GLN A 14 -7.760 1.241 13.293 1.00 0.00 O flip ATOM 234 NE2 GLN A 14 -7.889 0.347 15.314 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.242 0.068 11.791 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.374 -0.945 14.361 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.966 -1.137 12.789 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.747 -1.740 14.420 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.330 0.493 15.270 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.279 1.159 13.649 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.437 -0.114 16.104 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.887 0.553 15.347 1.00 0.00 H new ATOM 243 N PHE A 15 -3.416 -2.860 11.774 1.00 0.00 N ATOM 244 CA PHE A 15 -3.106 -4.187 11.228 1.00 0.00 C ATOM 245 C PHE A 15 -1.596 -4.430 11.347 1.00 0.00 C ATOM 246 O PHE A 15 -1.147 -5.480 11.846 1.00 0.00 O ATOM 247 CB PHE A 15 -3.553 -4.225 9.749 1.00 0.00 C ATOM 248 CG PHE A 15 -3.469 -5.565 9.068 1.00 0.00 C ATOM 249 CD1 PHE A 15 -4.519 -6.460 9.154 1.00 0.00 C ATOM 250 CD2 PHE A 15 -2.356 -5.918 8.322 1.00 0.00 C ATOM 251 CE1 PHE A 15 -4.466 -7.680 8.514 1.00 0.00 C ATOM 252 CE2 PHE A 15 -2.294 -7.137 7.681 1.00 0.00 C ATOM 253 CZ PHE A 15 -3.351 -8.021 7.776 1.00 0.00 C ATOM 0 H PHE A 15 -3.473 -2.130 11.064 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.630 -4.968 11.778 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.584 -3.875 9.693 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.944 -3.516 9.188 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -5.394 -6.200 9.731 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.527 -5.230 8.242 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.295 -8.367 8.590 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.419 -7.401 7.105 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.305 -8.976 7.274 1.00 0.00 H new ATOM 263 N LYS A 16 -0.835 -3.433 10.896 1.00 0.00 N ATOM 264 CA LYS A 16 0.628 -3.381 10.973 1.00 0.00 C ATOM 265 C LYS A 16 1.322 -4.346 9.999 1.00 0.00 C ATOM 266 O LYS A 16 0.676 -4.952 9.128 1.00 0.00 O ATOM 267 CB LYS A 16 1.139 -3.513 12.423 1.00 0.00 C ATOM 268 CG LYS A 16 0.564 -2.441 13.328 1.00 0.00 C ATOM 269 CD LYS A 16 1.150 -2.456 14.717 1.00 0.00 C ATOM 270 CE LYS A 16 0.473 -1.404 15.586 1.00 0.00 C ATOM 271 NZ LYS A 16 1.126 -1.252 16.894 1.00 0.00 N ATOM 0 H LYS A 16 -1.234 -2.607 10.450 1.00 0.00 H new ATOM 0 HA LYS A 16 0.914 -2.385 10.636 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.875 -4.496 12.812 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.227 -3.449 12.431 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.738 -1.464 12.878 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.516 -2.573 13.395 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.023 -3.443 15.162 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.222 -2.264 14.669 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.482 -0.446 15.065 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.572 -1.677 15.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.404 -1.232 17.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.770 -2.053 17.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.667 -0.364 16.911 1.00 0.00 H new ATOM 285 N GLY A 17 2.631 -4.475 10.139 1.00 0.00 N ATOM 286 CA GLY A 17 3.426 -5.210 9.185 1.00 0.00 C ATOM 287 C GLY A 17 3.360 -6.714 9.332 1.00 0.00 C ATOM 288 O GLY A 17 4.265 -7.333 9.890 1.00 0.00 O ATOM 0 H GLY A 17 3.163 -4.075 10.912 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.101 -4.942 8.179 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.465 -4.895 9.279 1.00 0.00 H new ATOM 292 N LYS A 18 2.278 -7.290 8.855 1.00 0.00 N ATOM 293 CA LYS A 18 2.118 -8.749 8.774 1.00 0.00 C ATOM 294 C LYS A 18 2.475 -9.193 7.359 1.00 0.00 C ATOM 295 O LYS A 18 2.323 -10.352 6.966 1.00 0.00 O ATOM 296 CB LYS A 18 0.681 -9.126 9.090 1.00 0.00 C ATOM 297 CG LYS A 18 0.281 -8.811 10.518 1.00 0.00 C ATOM 298 CD LYS A 18 -1.223 -8.919 10.721 1.00 0.00 C ATOM 299 CE LYS A 18 -1.748 -10.317 10.433 1.00 0.00 C ATOM 300 NZ LYS A 18 -1.272 -11.314 11.415 1.00 0.00 N ATOM 0 H LYS A 18 1.473 -6.768 8.508 1.00 0.00 H new ATOM 0 HA LYS A 18 2.772 -9.240 9.494 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.015 -8.597 8.408 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.543 -10.192 8.908 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.789 -9.495 11.197 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.611 -7.804 10.774 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.469 -8.646 11.747 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.727 -8.204 10.071 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.838 -10.300 10.436 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.437 -10.620 9.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.698 -12.239 11.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.236 -11.389 11.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.547 -11.016 12.373 1.00 0.00 H new ATOM 314 N VAL A 19 2.942 -8.229 6.620 1.00 0.00 N ATOM 315 CA VAL A 19 3.342 -8.358 5.251 1.00 0.00 C ATOM 316 C VAL A 19 4.819 -8.046 5.166 1.00 0.00 C ATOM 317 O VAL A 19 5.361 -7.385 6.068 1.00 0.00 O ATOM 318 CB VAL A 19 2.579 -7.325 4.369 1.00 0.00 C ATOM 319 CG1 VAL A 19 1.102 -7.613 4.352 1.00 0.00 C ATOM 320 CG2 VAL A 19 2.808 -5.910 4.887 1.00 0.00 C ATOM 0 H VAL A 19 3.060 -7.281 6.977 1.00 0.00 H new ATOM 0 HA VAL A 19 3.124 -9.367 4.900 1.00 0.00 H new ATOM 0 HB VAL A 19 2.966 -7.409 3.354 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.595 -6.876 3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.930 -8.610 3.947 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.709 -7.561 5.368 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.268 -5.201 4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.447 -5.835 5.913 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.873 -5.681 4.860 1.00 0.00 H new ATOM 330 N ASN A 20 5.474 -8.510 4.133 1.00 0.00 N ATOM 331 CA ASN A 20 6.879 -8.175 3.925 1.00 0.00 C ATOM 332 C ASN A 20 7.011 -6.761 3.433 1.00 0.00 C ATOM 333 O ASN A 20 6.455 -6.418 2.390 1.00 0.00 O ATOM 334 CB ASN A 20 7.554 -9.130 2.946 1.00 0.00 C ATOM 335 CG ASN A 20 7.873 -10.465 3.557 1.00 0.00 C ATOM 336 OD1 ASN A 20 8.964 -10.673 4.091 1.00 0.00 O ATOM 337 ND2 ASN A 20 6.952 -11.360 3.513 1.00 0.00 N ATOM 0 H ASN A 20 5.070 -9.118 3.421 1.00 0.00 H new ATOM 0 HA ASN A 20 7.382 -8.274 4.887 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.904 -9.277 2.083 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.474 -8.675 2.578 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.112 -12.278 3.929 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.061 -11.153 3.063 1.00 0.00 H new ATOM 344 N PHE A 21 7.756 -5.940 4.181 1.00 0.00 N ATOM 345 CA PHE A 21 7.951 -4.526 3.844 1.00 0.00 C ATOM 346 C PHE A 21 8.456 -4.353 2.421 1.00 0.00 C ATOM 347 O PHE A 21 7.883 -3.590 1.638 1.00 0.00 O ATOM 348 CB PHE A 21 8.922 -3.826 4.825 1.00 0.00 C ATOM 349 CG PHE A 21 9.199 -2.383 4.443 1.00 0.00 C ATOM 350 CD1 PHE A 21 8.342 -1.376 4.836 1.00 0.00 C ATOM 351 CD2 PHE A 21 10.291 -2.052 3.645 1.00 0.00 C ATOM 352 CE1 PHE A 21 8.565 -0.071 4.455 1.00 0.00 C ATOM 353 CE2 PHE A 21 10.510 -0.753 3.253 1.00 0.00 C ATOM 354 CZ PHE A 21 9.649 0.238 3.656 1.00 0.00 C ATOM 0 H PHE A 21 8.237 -6.234 5.031 1.00 0.00 H new ATOM 0 HA PHE A 21 6.972 -4.055 3.930 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.502 -3.858 5.830 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.862 -4.377 4.855 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.486 -1.614 5.450 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.975 -2.826 3.330 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.893 0.710 4.780 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.358 -0.512 2.629 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.819 1.259 3.348 1.00 0.00 H new ATOM 364 N ASN A 22 9.507 -5.083 2.086 1.00 0.00 N ATOM 365 CA ASN A 22 10.134 -4.968 0.773 1.00 0.00 C ATOM 366 C ASN A 22 9.207 -5.404 -0.312 1.00 0.00 C ATOM 367 O ASN A 22 9.254 -4.885 -1.422 1.00 0.00 O ATOM 368 CB ASN A 22 11.454 -5.741 0.687 1.00 0.00 C ATOM 369 CG ASN A 22 12.530 -5.156 1.570 1.00 0.00 C ATOM 370 OD1 ASN A 22 12.561 -3.955 1.808 1.00 0.00 O ATOM 371 ND2 ASN A 22 13.416 -5.989 2.059 1.00 0.00 N ATOM 0 H ASN A 22 9.947 -5.764 2.705 1.00 0.00 H new ATOM 0 HA ASN A 22 10.362 -3.911 0.633 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.282 -6.779 0.971 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.801 -5.746 -0.346 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.164 -5.643 2.660 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.358 -6.983 1.838 1.00 0.00 H new ATOM 378 N LEU A 23 8.324 -6.321 0.012 1.00 0.00 N ATOM 379 CA LEU A 23 7.405 -6.812 -0.960 1.00 0.00 C ATOM 380 C LEU A 23 6.310 -5.792 -1.202 1.00 0.00 C ATOM 381 O LEU A 23 5.934 -5.570 -2.329 1.00 0.00 O ATOM 382 CB LEU A 23 6.855 -8.186 -0.576 1.00 0.00 C ATOM 383 CG LEU A 23 5.916 -8.856 -1.589 1.00 0.00 C ATOM 384 CD1 LEU A 23 6.547 -8.900 -2.967 1.00 0.00 C ATOM 385 CD2 LEU A 23 5.610 -10.257 -1.143 1.00 0.00 C ATOM 0 H LEU A 23 8.231 -6.734 0.940 1.00 0.00 H new ATOM 0 HA LEU A 23 7.936 -6.956 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.698 -8.854 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.322 -8.088 0.370 1.00 0.00 H new ATOM 0 HG LEU A 23 4.998 -8.271 -1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.862 -9.379 -3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.757 -7.885 -3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.477 -9.468 -2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.943 -10.731 -1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.536 -10.828 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.128 -10.231 -0.166 1.00 0.00 H new ATOM 397 N VAL A 24 5.841 -5.135 -0.143 1.00 0.00 N ATOM 398 CA VAL A 24 4.841 -4.062 -0.283 1.00 0.00 C ATOM 399 C VAL A 24 5.438 -2.918 -1.086 1.00 0.00 C ATOM 400 O VAL A 24 4.800 -2.383 -1.994 1.00 0.00 O ATOM 401 CB VAL A 24 4.360 -3.530 1.089 1.00 0.00 C ATOM 402 CG1 VAL A 24 3.326 -2.420 0.927 1.00 0.00 C ATOM 403 CG2 VAL A 24 3.781 -4.655 1.895 1.00 0.00 C ATOM 0 H VAL A 24 6.131 -5.320 0.817 1.00 0.00 H new ATOM 0 HA VAL A 24 3.976 -4.480 -0.798 1.00 0.00 H new ATOM 0 HB VAL A 24 5.221 -3.111 1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.011 -2.070 1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.765 -1.592 0.371 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.462 -2.804 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.444 -4.276 2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.936 -5.088 1.360 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.542 -5.420 2.052 1.00 0.00 H new ATOM 413 N MET A 25 6.685 -2.584 -0.771 1.00 0.00 N ATOM 414 CA MET A 25 7.431 -1.562 -1.492 1.00 0.00 C ATOM 415 C MET A 25 7.515 -1.934 -2.970 1.00 0.00 C ATOM 416 O MET A 25 7.361 -1.086 -3.841 1.00 0.00 O ATOM 417 CB MET A 25 8.832 -1.392 -0.874 1.00 0.00 C ATOM 418 CG MET A 25 9.732 -0.385 -1.581 1.00 0.00 C ATOM 419 SD MET A 25 11.352 -0.219 -0.782 1.00 0.00 S ATOM 420 CE MET A 25 12.026 -1.866 -1.008 1.00 0.00 C ATOM 0 H MET A 25 7.206 -3.015 -0.008 1.00 0.00 H new ATOM 0 HA MET A 25 6.914 -0.606 -1.410 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.719 -1.087 0.166 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.330 -2.361 -0.870 1.00 0.00 H new ATOM 0 HG2 MET A 25 9.872 -0.692 -2.617 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.239 0.587 -1.601 1.00 0.00 H new ATOM 0 HE1 MET A 25 13.076 -1.794 -1.291 1.00 0.00 H new ATOM 0 HE2 MET A 25 11.938 -2.426 -0.077 1.00 0.00 H new ATOM 0 HE3 MET A 25 11.473 -2.381 -1.794 1.00 0.00 H new ATOM 430 N GLN A 26 7.705 -3.216 -3.228 1.00 0.00 N ATOM 431 CA GLN A 26 7.721 -3.730 -4.573 1.00 0.00 C ATOM 432 C GLN A 26 6.334 -3.628 -5.208 1.00 0.00 C ATOM 433 O GLN A 26 6.221 -3.152 -6.299 1.00 0.00 O ATOM 434 CB GLN A 26 8.245 -5.170 -4.607 1.00 0.00 C ATOM 435 CG GLN A 26 8.193 -5.830 -5.979 1.00 0.00 C ATOM 436 CD GLN A 26 8.853 -7.190 -6.002 1.00 0.00 C ATOM 437 OE1 GLN A 26 8.903 -7.891 -4.994 1.00 0.00 O ATOM 438 NE2 GLN A 26 9.324 -7.591 -7.153 1.00 0.00 N ATOM 0 H GLN A 26 7.852 -3.923 -2.508 1.00 0.00 H new ATOM 0 HA GLN A 26 8.405 -3.118 -5.162 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.276 -5.176 -4.254 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.665 -5.771 -3.907 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.153 -5.931 -6.289 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.681 -5.182 -6.707 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.265 -6.981 -7.969 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.751 -8.514 -7.236 1.00 0.00 H new ATOM 447 N ILE A 27 5.283 -4.017 -4.475 1.00 0.00 N ATOM 448 CA ILE A 27 3.883 -3.981 -4.977 1.00 0.00 C ATOM 449 C ILE A 27 3.528 -2.564 -5.443 1.00 0.00 C ATOM 450 O ILE A 27 2.971 -2.362 -6.536 1.00 0.00 O ATOM 451 CB ILE A 27 2.862 -4.404 -3.852 1.00 0.00 C ATOM 452 CG1 ILE A 27 3.114 -5.842 -3.353 1.00 0.00 C ATOM 453 CG2 ILE A 27 1.407 -4.235 -4.298 1.00 0.00 C ATOM 454 CD1 ILE A 27 2.984 -6.918 -4.404 1.00 0.00 C ATOM 0 H ILE A 27 5.367 -4.366 -3.520 1.00 0.00 H new ATOM 0 HA ILE A 27 3.814 -4.683 -5.808 1.00 0.00 H new ATOM 0 HB ILE A 27 3.033 -3.725 -3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.116 -5.891 -2.927 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.414 -6.058 -2.546 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.741 -4.539 -3.490 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.222 -3.190 -4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.221 -4.856 -5.174 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.180 -7.891 -3.954 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.975 -6.905 -4.816 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.704 -6.736 -5.202 1.00 0.00 H new ATOM 466 N LEU A 28 3.902 -1.608 -4.632 1.00 0.00 N ATOM 467 CA LEU A 28 3.664 -0.209 -4.897 1.00 0.00 C ATOM 468 C LEU A 28 4.512 0.270 -6.079 1.00 0.00 C ATOM 469 O LEU A 28 4.089 1.108 -6.871 1.00 0.00 O ATOM 470 CB LEU A 28 4.006 0.584 -3.644 1.00 0.00 C ATOM 471 CG LEU A 28 3.209 0.231 -2.385 1.00 0.00 C ATOM 472 CD1 LEU A 28 3.805 0.910 -1.174 1.00 0.00 C ATOM 473 CD2 LEU A 28 1.760 0.637 -2.539 1.00 0.00 C ATOM 0 H LEU A 28 4.389 -1.781 -3.753 1.00 0.00 H new ATOM 0 HA LEU A 28 2.616 -0.059 -5.158 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.066 0.446 -3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.859 1.643 -3.857 1.00 0.00 H new ATOM 0 HG LEU A 28 3.258 -0.849 -2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.226 0.648 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.836 0.582 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.783 1.991 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.211 0.377 -1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.699 1.713 -2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.324 0.114 -3.390 1.00 0.00 H new ATOM 485 N ASP A 29 5.693 -0.292 -6.198 1.00 0.00 N ATOM 486 CA ASP A 29 6.641 0.053 -7.260 1.00 0.00 C ATOM 487 C ASP A 29 6.156 -0.479 -8.583 1.00 0.00 C ATOM 488 O ASP A 29 6.175 0.229 -9.589 1.00 0.00 O ATOM 489 CB ASP A 29 7.989 -0.564 -6.948 1.00 0.00 C ATOM 490 CG ASP A 29 9.089 -0.104 -7.868 1.00 0.00 C ATOM 491 OD1 ASP A 29 9.352 1.121 -7.946 1.00 0.00 O ATOM 492 OD2 ASP A 29 9.735 -0.955 -8.513 1.00 0.00 O ATOM 0 H ASP A 29 6.036 -1.010 -5.560 1.00 0.00 H new ATOM 0 HA ASP A 29 6.728 1.138 -7.317 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.261 -0.322 -5.921 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.906 -1.649 -7.009 1.00 0.00 H new ATOM 497 N GLU A 30 5.679 -1.721 -8.551 1.00 0.00 N ATOM 498 CA GLU A 30 5.177 -2.430 -9.717 1.00 0.00 C ATOM 499 C GLU A 30 4.112 -1.592 -10.406 1.00 0.00 C ATOM 500 O GLU A 30 4.212 -1.293 -11.579 1.00 0.00 O ATOM 501 CB GLU A 30 4.480 -3.725 -9.301 1.00 0.00 C ATOM 502 CG GLU A 30 5.257 -4.758 -8.511 1.00 0.00 C ATOM 503 CD GLU A 30 6.319 -5.481 -9.273 1.00 0.00 C ATOM 504 OE1 GLU A 30 7.394 -4.914 -9.529 1.00 0.00 O ATOM 505 OE2 GLU A 30 6.108 -6.680 -9.579 1.00 0.00 O ATOM 0 H GLU A 30 5.631 -2.271 -7.693 1.00 0.00 H new ATOM 0 HA GLU A 30 6.028 -2.631 -10.368 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.604 -3.452 -8.713 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.117 -4.209 -10.208 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.719 -4.265 -7.656 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.555 -5.491 -8.115 1.00 0.00 H new ATOM 512 N ILE A 31 3.110 -1.187 -9.642 1.00 0.00 N ATOM 513 CA ILE A 31 1.990 -0.426 -10.194 1.00 0.00 C ATOM 514 C ILE A 31 2.430 0.957 -10.648 1.00 0.00 C ATOM 515 O ILE A 31 1.951 1.468 -11.649 1.00 0.00 O ATOM 516 CB ILE A 31 0.791 -0.309 -9.208 1.00 0.00 C ATOM 517 CG1 ILE A 31 1.201 0.374 -7.896 1.00 0.00 C ATOM 518 CG2 ILE A 31 0.207 -1.679 -8.930 1.00 0.00 C ATOM 519 CD1 ILE A 31 0.074 0.548 -6.907 1.00 0.00 C ATOM 0 H ILE A 31 3.045 -1.370 -8.641 1.00 0.00 H new ATOM 0 HA ILE A 31 1.643 -0.990 -11.060 1.00 0.00 H new ATOM 0 HB ILE A 31 0.031 0.314 -9.680 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.993 -0.211 -7.428 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.621 1.353 -8.126 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.631 -1.584 -8.239 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.141 -2.123 -9.863 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.972 -2.317 -8.487 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.450 1.038 -6.009 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.710 1.160 -7.353 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.333 -0.428 -6.644 1.00 0.00 H new ATOM 531 N GLU A 32 3.378 1.522 -9.929 1.00 0.00 N ATOM 532 CA GLU A 32 3.909 2.832 -10.219 1.00 0.00 C ATOM 533 C GLU A 32 4.593 2.837 -11.588 1.00 0.00 C ATOM 534 O GLU A 32 4.301 3.688 -12.450 1.00 0.00 O ATOM 535 CB GLU A 32 4.899 3.216 -9.124 1.00 0.00 C ATOM 536 CG GLU A 32 5.538 4.563 -9.297 1.00 0.00 C ATOM 537 CD GLU A 32 6.531 4.859 -8.220 1.00 0.00 C ATOM 538 OE1 GLU A 32 6.133 5.183 -7.103 1.00 0.00 O ATOM 539 OE2 GLU A 32 7.760 4.752 -8.478 1.00 0.00 O ATOM 0 H GLU A 32 3.805 1.076 -9.117 1.00 0.00 H new ATOM 0 HA GLU A 32 3.098 3.559 -10.246 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.383 3.195 -8.164 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.683 2.460 -9.081 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.033 4.607 -10.267 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.766 5.332 -9.298 1.00 0.00 H new ATOM 546 N LEU A 33 5.485 1.886 -11.786 1.00 0.00 N ATOM 547 CA LEU A 33 6.217 1.760 -13.032 1.00 0.00 C ATOM 548 C LEU A 33 5.342 1.252 -14.173 1.00 0.00 C ATOM 549 O LEU A 33 5.576 1.579 -15.329 1.00 0.00 O ATOM 550 CB LEU A 33 7.507 0.911 -12.855 1.00 0.00 C ATOM 551 CG LEU A 33 7.365 -0.541 -12.356 1.00 0.00 C ATOM 552 CD1 LEU A 33 6.926 -1.499 -13.456 1.00 0.00 C ATOM 553 CD2 LEU A 33 8.646 -1.010 -11.727 1.00 0.00 C ATOM 0 H LEU A 33 5.723 1.180 -11.089 1.00 0.00 H new ATOM 0 HA LEU A 33 6.532 2.764 -13.317 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.021 0.883 -13.816 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.159 1.439 -12.160 1.00 0.00 H new ATOM 0 HG LEU A 33 6.577 -0.542 -11.603 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.842 -2.507 -13.049 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.959 -1.184 -13.848 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.663 -1.492 -14.259 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.527 -2.037 -11.381 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.450 -0.966 -12.462 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.892 -0.368 -10.881 1.00 0.00 H new ATOM 565 N ASP A 34 4.348 0.450 -13.838 1.00 0.00 N ATOM 566 CA ASP A 34 3.464 -0.135 -14.840 1.00 0.00 C ATOM 567 C ASP A 34 2.486 0.888 -15.372 1.00 0.00 C ATOM 568 O ASP A 34 2.291 0.997 -16.593 1.00 0.00 O ATOM 569 CB ASP A 34 2.701 -1.338 -14.267 1.00 0.00 C ATOM 570 CG ASP A 34 1.765 -1.985 -15.264 1.00 0.00 C ATOM 571 OD1 ASP A 34 0.596 -1.572 -15.353 1.00 0.00 O ATOM 572 OD2 ASP A 34 2.188 -2.933 -15.971 1.00 0.00 O ATOM 0 H ASP A 34 4.129 0.186 -12.877 1.00 0.00 H new ATOM 0 HA ASP A 34 4.090 -0.477 -15.664 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.418 -2.081 -13.918 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.128 -1.015 -13.398 1.00 0.00 H new ATOM 577 N LEU A 35 1.887 1.655 -14.472 1.00 0.00 N ATOM 578 CA LEU A 35 0.887 2.621 -14.863 1.00 0.00 C ATOM 579 C LEU A 35 1.549 3.749 -15.634 1.00 0.00 C ATOM 580 O LEU A 35 1.295 3.904 -16.825 1.00 0.00 O ATOM 581 CB LEU A 35 0.198 3.213 -13.604 1.00 0.00 C ATOM 582 CG LEU A 35 -1.202 3.897 -13.740 1.00 0.00 C ATOM 583 CD1 LEU A 35 -1.577 4.560 -12.439 1.00 0.00 C ATOM 584 CD2 LEU A 35 -1.293 4.912 -14.873 1.00 0.00 C ATOM 0 H LEU A 35 2.080 1.623 -13.471 1.00 0.00 H new ATOM 0 HA LEU A 35 0.143 2.126 -15.487 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.098 2.407 -12.877 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.879 3.947 -13.174 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.902 3.099 -13.986 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.553 5.034 -12.541 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.618 3.811 -11.648 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.831 5.314 -12.187 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.295 5.340 -14.899 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.564 5.706 -14.710 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.085 4.418 -15.822 1.00 0.00 H new ATOM 596 N ARG A 36 2.468 4.457 -14.974 1.00 0.00 N ATOM 597 CA ARG A 36 3.055 5.708 -15.496 1.00 0.00 C ATOM 598 C ARG A 36 1.926 6.702 -15.832 1.00 0.00 C ATOM 599 O ARG A 36 1.540 7.511 -15.005 1.00 0.00 O ATOM 600 CB ARG A 36 3.969 5.486 -16.718 1.00 0.00 C ATOM 601 CG ARG A 36 5.138 4.558 -16.479 1.00 0.00 C ATOM 602 CD ARG A 36 6.046 5.049 -15.369 1.00 0.00 C ATOM 603 NE ARG A 36 7.204 4.168 -15.216 1.00 0.00 N ATOM 604 CZ ARG A 36 8.215 4.349 -14.356 1.00 0.00 C ATOM 605 NH1 ARG A 36 8.215 5.386 -13.522 1.00 0.00 N ATOM 606 NH2 ARG A 36 9.227 3.492 -14.341 1.00 0.00 N ATOM 0 H ARG A 36 2.831 4.185 -14.061 1.00 0.00 H new ATOM 0 HA ARG A 36 3.694 6.119 -14.715 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.368 5.087 -17.535 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.352 6.452 -17.047 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.765 3.565 -16.228 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.714 4.459 -17.399 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.381 6.063 -15.589 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.491 5.093 -14.432 1.00 0.00 H new ATOM 0 HE ARG A 36 7.245 3.344 -15.816 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.441 6.050 -13.534 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.989 5.516 -12.870 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.233 2.699 -14.983 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.999 3.626 -13.688 1.00 0.00 H new ATOM 620 N GLY A 37 1.387 6.584 -17.026 1.00 0.00 N ATOM 621 CA GLY A 37 0.252 7.352 -17.445 1.00 0.00 C ATOM 622 C GLY A 37 -0.486 6.616 -18.543 1.00 0.00 C ATOM 623 O GLY A 37 -1.060 7.228 -19.434 1.00 0.00 O ATOM 0 H GLY A 37 1.735 5.941 -17.737 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.414 7.526 -16.600 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.575 8.330 -17.803 1.00 0.00 H new ATOM 627 N SER A 38 -0.460 5.287 -18.481 1.00 0.00 N ATOM 628 CA SER A 38 -1.053 4.469 -19.521 1.00 0.00 C ATOM 629 C SER A 38 -2.562 4.181 -19.316 1.00 0.00 C ATOM 630 O SER A 38 -3.413 4.945 -19.807 1.00 0.00 O ATOM 631 CB SER A 38 -0.235 3.183 -19.758 1.00 0.00 C ATOM 632 OG SER A 38 -0.053 2.447 -18.553 1.00 0.00 O ATOM 0 H SER A 38 -0.033 4.759 -17.720 1.00 0.00 H new ATOM 0 HA SER A 38 -1.008 5.065 -20.432 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.743 2.559 -20.493 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.737 3.442 -20.177 1.00 0.00 H new ATOM 0 HG SER A 38 0.703 2.820 -18.053 1.00 0.00 H new ATOM 638 N ASP A 39 -2.907 3.130 -18.579 1.00 0.00 N ATOM 639 CA ASP A 39 -4.316 2.748 -18.465 1.00 0.00 C ATOM 640 C ASP A 39 -4.937 3.196 -17.161 1.00 0.00 C ATOM 641 O ASP A 39 -5.732 4.134 -17.152 1.00 0.00 O ATOM 642 CB ASP A 39 -4.537 1.247 -18.683 1.00 0.00 C ATOM 643 CG ASP A 39 -6.012 0.882 -18.731 1.00 0.00 C ATOM 644 OD1 ASP A 39 -6.635 1.028 -19.787 1.00 0.00 O ATOM 645 OD2 ASP A 39 -6.576 0.434 -17.718 1.00 0.00 O ATOM 0 H ASP A 39 -2.254 2.540 -18.064 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.826 3.277 -19.270 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.059 0.943 -19.614 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.053 0.690 -17.880 1.00 0.00 H new ATOM 650 N ASN A 40 -4.588 2.549 -16.061 1.00 0.00 N ATOM 651 CA ASN A 40 -5.164 2.897 -14.768 1.00 0.00 C ATOM 652 C ASN A 40 -4.426 2.178 -13.680 1.00 0.00 C ATOM 653 O ASN A 40 -3.841 1.121 -13.911 1.00 0.00 O ATOM 654 CB ASN A 40 -6.620 2.465 -14.683 1.00 0.00 C ATOM 655 CG ASN A 40 -7.393 3.217 -13.606 1.00 0.00 C ATOM 656 OD1 ASN A 40 -7.400 2.820 -12.441 1.00 0.00 O ATOM 657 ND2 ASN A 40 -8.029 4.295 -13.977 1.00 0.00 N ATOM 0 H ASN A 40 -3.913 1.785 -16.035 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.089 3.978 -14.655 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.100 2.626 -15.648 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -6.666 1.395 -14.478 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.554 4.838 -13.292 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.001 4.594 -14.952 1.00 0.00 H new ATOM 664 N ILE A 41 -4.502 2.704 -12.486 1.00 0.00 N ATOM 665 CA ILE A 41 -3.837 2.113 -11.361 1.00 0.00 C ATOM 666 C ILE A 41 -4.465 0.768 -10.983 1.00 0.00 C ATOM 667 O ILE A 41 -3.748 -0.168 -10.663 1.00 0.00 O ATOM 668 CB ILE A 41 -3.785 3.071 -10.147 1.00 0.00 C ATOM 669 CG1 ILE A 41 -3.055 2.409 -8.975 1.00 0.00 C ATOM 670 CG2 ILE A 41 -5.180 3.542 -9.755 1.00 0.00 C ATOM 671 CD1 ILE A 41 -2.862 3.302 -7.790 1.00 0.00 C ATOM 0 H ILE A 41 -5.026 3.552 -12.269 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.807 1.925 -11.664 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.220 3.959 -10.432 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.615 1.527 -8.664 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.080 2.063 -9.318 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.110 4.213 -8.899 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.635 4.069 -10.594 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.794 2.681 -9.491 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.338 2.757 -7.005 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.274 4.172 -8.082 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.833 3.628 -7.418 1.00 0.00 H new ATOM 683 N LYS A 42 -5.803 0.653 -11.081 1.00 0.00 N ATOM 684 CA LYS A 42 -6.471 -0.614 -10.754 1.00 0.00 C ATOM 685 C LYS A 42 -6.071 -1.691 -11.732 1.00 0.00 C ATOM 686 O LYS A 42 -5.965 -2.854 -11.377 1.00 0.00 O ATOM 687 CB LYS A 42 -8.007 -0.491 -10.699 1.00 0.00 C ATOM 688 CG LYS A 42 -8.651 0.074 -11.957 1.00 0.00 C ATOM 689 CD LYS A 42 -10.170 0.004 -11.903 1.00 0.00 C ATOM 690 CE LYS A 42 -10.689 -1.404 -12.197 1.00 0.00 C ATOM 691 NZ LYS A 42 -10.434 -1.806 -13.603 1.00 0.00 N ATOM 0 H LYS A 42 -6.427 1.404 -11.377 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.140 -0.888 -9.752 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.429 -1.477 -10.504 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.276 0.144 -9.855 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.341 1.111 -12.088 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.294 -0.478 -12.826 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.513 0.318 -10.917 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.591 0.704 -12.625 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.210 -2.115 -11.524 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.760 -1.446 -11.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.048 -2.608 -13.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.637 -1.006 -14.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.438 -2.086 -13.709 1.00 0.00 H new ATOM 705 N THR A 43 -5.821 -1.281 -12.955 1.00 0.00 N ATOM 706 CA THR A 43 -5.400 -2.167 -13.988 1.00 0.00 C ATOM 707 C THR A 43 -4.015 -2.706 -13.648 1.00 0.00 C ATOM 708 O THR A 43 -3.758 -3.919 -13.738 1.00 0.00 O ATOM 709 CB THR A 43 -5.354 -1.408 -15.298 1.00 0.00 C ATOM 710 OG1 THR A 43 -6.570 -0.660 -15.417 1.00 0.00 O ATOM 711 CG2 THR A 43 -5.250 -2.367 -16.461 1.00 0.00 C ATOM 0 H THR A 43 -5.909 -0.309 -13.252 1.00 0.00 H new ATOM 0 HA THR A 43 -6.097 -3.000 -14.078 1.00 0.00 H new ATOM 0 HB THR A 43 -4.485 -0.750 -15.311 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.786 -0.535 -16.365 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.218 -1.805 -17.394 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.341 -2.960 -16.363 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.116 -3.029 -16.465 1.00 0.00 H new ATOM 719 N SER A 44 -3.146 -1.809 -13.212 1.00 0.00 N ATOM 720 CA SER A 44 -1.830 -2.189 -12.780 1.00 0.00 C ATOM 721 C SER A 44 -1.916 -3.106 -11.536 1.00 0.00 C ATOM 722 O SER A 44 -1.178 -4.096 -11.426 1.00 0.00 O ATOM 723 CB SER A 44 -0.997 -0.940 -12.533 1.00 0.00 C ATOM 724 OG SER A 44 -0.937 -0.162 -13.724 1.00 0.00 O ATOM 0 H SER A 44 -3.339 -0.809 -13.151 1.00 0.00 H new ATOM 0 HA SER A 44 -1.333 -2.767 -13.559 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.434 -0.353 -11.725 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.009 -1.218 -12.217 1.00 0.00 H new ATOM 0 HG SER A 44 -0.591 -0.712 -14.457 1.00 0.00 H new ATOM 730 N ILE A 45 -2.866 -2.795 -10.637 1.00 0.00 N ATOM 731 CA ILE A 45 -3.159 -3.612 -9.446 1.00 0.00 C ATOM 732 C ILE A 45 -3.454 -5.060 -9.860 1.00 0.00 C ATOM 733 O ILE A 45 -2.942 -6.004 -9.249 1.00 0.00 O ATOM 734 CB ILE A 45 -4.386 -3.029 -8.635 1.00 0.00 C ATOM 735 CG1 ILE A 45 -4.047 -1.683 -7.968 1.00 0.00 C ATOM 736 CG2 ILE A 45 -4.927 -4.017 -7.601 1.00 0.00 C ATOM 737 CD1 ILE A 45 -3.025 -1.768 -6.850 1.00 0.00 C ATOM 0 H ILE A 45 -3.455 -1.966 -10.716 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.281 -3.588 -8.800 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.174 -2.856 -9.368 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.675 -0.999 -8.731 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.964 -1.249 -7.571 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.768 -3.567 -7.073 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.259 -4.925 -8.104 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.141 -4.264 -6.888 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.850 -0.773 -6.441 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.400 -2.423 -6.063 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.090 -2.169 -7.241 1.00 0.00 H new ATOM 749 N ILE A 46 -4.246 -5.217 -10.922 1.00 0.00 N ATOM 750 CA ILE A 46 -4.632 -6.531 -11.436 1.00 0.00 C ATOM 751 C ILE A 46 -3.409 -7.401 -11.733 1.00 0.00 C ATOM 752 O ILE A 46 -3.327 -8.537 -11.251 1.00 0.00 O ATOM 753 CB ILE A 46 -5.522 -6.422 -12.711 1.00 0.00 C ATOM 754 CG1 ILE A 46 -6.808 -5.651 -12.397 1.00 0.00 C ATOM 755 CG2 ILE A 46 -5.857 -7.809 -13.266 1.00 0.00 C ATOM 756 CD1 ILE A 46 -7.708 -5.426 -13.595 1.00 0.00 C ATOM 0 H ILE A 46 -4.638 -4.437 -11.449 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.218 -7.007 -10.650 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.961 -5.878 -13.471 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.366 -6.194 -11.635 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.543 -4.684 -11.970 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.479 -7.705 -14.155 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.935 -8.329 -13.527 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.396 -8.382 -12.512 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.595 -4.874 -13.285 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.170 -4.854 -14.352 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -8.007 -6.388 -14.011 1.00 0.00 H new ATOM 768 N TYR A 47 -2.447 -6.859 -12.472 1.00 0.00 N ATOM 769 CA TYR A 47 -1.258 -7.633 -12.857 1.00 0.00 C ATOM 770 C TYR A 47 -0.468 -8.043 -11.617 1.00 0.00 C ATOM 771 O TYR A 47 -0.198 -9.218 -11.388 1.00 0.00 O ATOM 772 CB TYR A 47 -0.318 -6.825 -13.757 1.00 0.00 C ATOM 773 CG TYR A 47 -0.966 -6.095 -14.900 1.00 0.00 C ATOM 774 CD1 TYR A 47 -1.714 -6.755 -15.866 1.00 0.00 C ATOM 775 CD2 TYR A 47 -0.828 -4.730 -14.999 1.00 0.00 C ATOM 776 CE1 TYR A 47 -2.300 -6.056 -16.906 1.00 0.00 C ATOM 777 CE2 TYR A 47 -1.403 -4.024 -16.023 1.00 0.00 C ATOM 778 CZ TYR A 47 -2.142 -4.686 -16.977 1.00 0.00 C ATOM 779 OH TYR A 47 -2.713 -3.978 -18.016 1.00 0.00 O ATOM 0 H TYR A 47 -2.460 -5.899 -12.816 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.617 -8.508 -13.399 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.208 -6.098 -13.139 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.434 -7.501 -14.163 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.840 -7.826 -15.805 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.253 -4.202 -14.252 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.876 -6.577 -17.656 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.277 -2.953 -16.081 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.507 -3.025 -17.915 1.00 0.00 H new ATOM 789 N VAL A 48 -0.153 -7.054 -10.804 1.00 0.00 N ATOM 790 CA VAL A 48 0.662 -7.211 -9.617 1.00 0.00 C ATOM 791 C VAL A 48 0.070 -8.207 -8.625 1.00 0.00 C ATOM 792 O VAL A 48 0.778 -9.076 -8.106 1.00 0.00 O ATOM 793 CB VAL A 48 0.859 -5.843 -8.943 1.00 0.00 C ATOM 794 CG1 VAL A 48 1.741 -5.945 -7.714 1.00 0.00 C ATOM 795 CG2 VAL A 48 1.439 -4.869 -9.941 1.00 0.00 C ATOM 0 H VAL A 48 -0.465 -6.095 -10.955 1.00 0.00 H new ATOM 0 HA VAL A 48 1.624 -7.615 -9.932 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.113 -5.481 -8.608 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.856 -4.958 -7.266 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.282 -6.620 -6.992 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.720 -6.330 -8.000 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.579 -3.899 -9.464 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.400 -5.241 -10.296 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.757 -4.763 -10.785 1.00 0.00 H new ATOM 805 N TYR A 49 -1.208 -8.103 -8.391 1.00 0.00 N ATOM 806 CA TYR A 49 -1.894 -8.968 -7.453 1.00 0.00 C ATOM 807 C TYR A 49 -2.025 -10.392 -7.977 1.00 0.00 C ATOM 808 O TYR A 49 -2.129 -11.334 -7.197 1.00 0.00 O ATOM 809 CB TYR A 49 -3.245 -8.384 -7.024 1.00 0.00 C ATOM 810 CG TYR A 49 -3.148 -7.181 -6.076 1.00 0.00 C ATOM 811 CD1 TYR A 49 -2.151 -6.218 -6.215 1.00 0.00 C ATOM 812 CD2 TYR A 49 -4.065 -7.015 -5.050 1.00 0.00 C ATOM 813 CE1 TYR A 49 -2.068 -5.143 -5.365 1.00 0.00 C ATOM 814 CE2 TYR A 49 -3.986 -5.934 -4.193 1.00 0.00 C ATOM 815 CZ TYR A 49 -2.986 -5.002 -4.358 1.00 0.00 C ATOM 816 OH TYR A 49 -2.902 -3.930 -3.510 1.00 0.00 O ATOM 0 H TYR A 49 -1.811 -7.416 -8.843 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.273 -9.022 -6.558 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.796 -8.084 -7.915 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.827 -9.167 -6.538 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.427 -6.319 -7.010 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.853 -7.742 -4.918 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.283 -4.412 -5.490 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.706 -5.820 -3.396 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.646 -3.958 -2.872 1.00 0.00 H new ATOM 826 N SER A 50 -2.052 -10.543 -9.289 1.00 0.00 N ATOM 827 CA SER A 50 -2.100 -11.863 -9.901 1.00 0.00 C ATOM 828 C SER A 50 -0.692 -12.485 -9.945 1.00 0.00 C ATOM 829 O SER A 50 -0.531 -13.705 -9.973 1.00 0.00 O ATOM 830 CB SER A 50 -2.698 -11.757 -11.300 1.00 0.00 C ATOM 831 OG SER A 50 -3.975 -11.124 -11.235 1.00 0.00 O ATOM 0 H SER A 50 -2.042 -9.769 -9.953 1.00 0.00 H new ATOM 0 HA SER A 50 -2.734 -12.516 -9.301 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.032 -11.187 -11.947 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.796 -12.750 -11.739 1.00 0.00 H new ATOM 0 HG SER A 50 -3.878 -10.171 -11.440 1.00 0.00 H new ATOM 837 N SER A 51 0.305 -11.632 -9.951 1.00 0.00 N ATOM 838 CA SER A 51 1.685 -12.041 -9.939 1.00 0.00 C ATOM 839 C SER A 51 2.108 -12.460 -8.527 1.00 0.00 C ATOM 840 O SER A 51 2.571 -13.579 -8.297 1.00 0.00 O ATOM 841 CB SER A 51 2.556 -10.866 -10.437 1.00 0.00 C ATOM 842 OG SER A 51 3.942 -11.121 -10.308 1.00 0.00 O ATOM 0 H SER A 51 0.176 -10.620 -9.965 1.00 0.00 H new ATOM 0 HA SER A 51 1.818 -12.900 -10.597 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.324 -10.664 -11.483 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.302 -9.967 -9.875 1.00 0.00 H new ATOM 0 HG SER A 51 4.449 -10.350 -10.638 1.00 0.00 H new ATOM 848 N HIS A 52 1.873 -11.590 -7.579 1.00 0.00 N ATOM 849 CA HIS A 52 2.352 -11.775 -6.220 1.00 0.00 C ATOM 850 C HIS A 52 1.235 -12.345 -5.334 1.00 0.00 C ATOM 851 O HIS A 52 1.022 -11.887 -4.212 1.00 0.00 O ATOM 852 CB HIS A 52 2.870 -10.425 -5.666 1.00 0.00 C ATOM 853 CG HIS A 52 4.028 -9.805 -6.448 1.00 0.00 C ATOM 854 ND1 HIS A 52 5.354 -10.032 -6.155 1.00 0.00 N ATOM 855 CD2 HIS A 52 4.032 -8.922 -7.493 1.00 0.00 C ATOM 856 CE1 HIS A 52 6.118 -9.319 -6.971 1.00 0.00 C ATOM 857 NE2 HIS A 52 5.342 -8.639 -7.790 1.00 0.00 N ATOM 0 H HIS A 52 1.344 -10.730 -7.721 1.00 0.00 H new ATOM 0 HA HIS A 52 3.175 -12.490 -6.219 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.043 -9.716 -5.649 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.186 -10.571 -4.633 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.163 -8.521 -7.993 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.198 -9.299 -6.965 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.662 -8.007 -8.524 1.00 0.00 H new ATOM 866 N LEU A 53 0.590 -13.397 -5.841 1.00 0.00 N ATOM 867 CA LEU A 53 -0.582 -14.053 -5.216 1.00 0.00 C ATOM 868 C LEU A 53 -0.410 -14.374 -3.732 1.00 0.00 C ATOM 869 O LEU A 53 -1.301 -14.070 -2.930 1.00 0.00 O ATOM 870 CB LEU A 53 -0.932 -15.357 -5.951 1.00 0.00 C ATOM 871 CG LEU A 53 -1.467 -15.238 -7.375 1.00 0.00 C ATOM 872 CD1 LEU A 53 -1.578 -16.614 -8.008 1.00 0.00 C ATOM 873 CD2 LEU A 53 -2.832 -14.562 -7.379 1.00 0.00 C ATOM 0 H LEU A 53 0.868 -13.835 -6.719 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.386 -13.321 -5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.037 -15.979 -5.978 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.673 -15.891 -5.356 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.771 -14.630 -7.953 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.961 -16.517 -9.024 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.594 -17.083 -8.034 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.259 -17.231 -7.421 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.197 -14.486 -8.403 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.532 -15.152 -6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.745 -13.564 -6.950 1.00 0.00 H new ATOM 885 N ASP A 54 0.715 -14.979 -3.375 1.00 0.00 N ATOM 886 CA ASP A 54 0.948 -15.449 -1.998 1.00 0.00 C ATOM 887 C ASP A 54 0.766 -14.383 -0.932 1.00 0.00 C ATOM 888 O ASP A 54 -0.033 -14.571 -0.027 1.00 0.00 O ATOM 889 CB ASP A 54 2.320 -16.127 -1.853 1.00 0.00 C ATOM 890 CG ASP A 54 2.807 -16.198 -0.406 1.00 0.00 C ATOM 891 OD1 ASP A 54 2.325 -17.046 0.381 1.00 0.00 O ATOM 892 OD2 ASP A 54 3.695 -15.396 -0.037 1.00 0.00 O ATOM 0 H ASP A 54 1.488 -15.161 -4.015 1.00 0.00 H new ATOM 0 HA ASP A 54 0.166 -16.187 -1.822 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.264 -17.136 -2.261 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.052 -15.582 -2.450 1.00 0.00 H new ATOM 897 N GLU A 55 1.411 -13.248 -1.073 1.00 0.00 N ATOM 898 CA GLU A 55 1.328 -12.235 -0.030 1.00 0.00 C ATOM 899 C GLU A 55 -0.050 -11.584 -0.043 1.00 0.00 C ATOM 900 O GLU A 55 -0.596 -11.217 1.014 1.00 0.00 O ATOM 901 CB GLU A 55 2.419 -11.181 -0.194 1.00 0.00 C ATOM 902 CG GLU A 55 2.650 -10.314 1.047 1.00 0.00 C ATOM 903 CD GLU A 55 3.254 -11.088 2.202 1.00 0.00 C ATOM 904 OE1 GLU A 55 2.569 -11.935 2.798 1.00 0.00 O ATOM 905 OE2 GLU A 55 4.440 -10.854 2.541 1.00 0.00 O ATOM 0 H GLU A 55 1.988 -13.000 -1.877 1.00 0.00 H new ATOM 0 HA GLU A 55 1.481 -12.723 0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.353 -11.679 -0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.159 -10.534 -1.032 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.309 -9.485 0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.701 -9.880 1.363 1.00 0.00 H new ATOM 912 N ILE A 56 -0.632 -11.492 -1.244 1.00 0.00 N ATOM 913 CA ILE A 56 -1.944 -10.894 -1.424 1.00 0.00 C ATOM 914 C ILE A 56 -2.999 -11.712 -0.685 1.00 0.00 C ATOM 915 O ILE A 56 -3.754 -11.176 0.093 1.00 0.00 O ATOM 916 CB ILE A 56 -2.368 -10.788 -2.933 1.00 0.00 C ATOM 917 CG1 ILE A 56 -1.350 -9.999 -3.784 1.00 0.00 C ATOM 918 CG2 ILE A 56 -3.759 -10.171 -3.076 1.00 0.00 C ATOM 919 CD1 ILE A 56 -1.037 -8.609 -3.285 1.00 0.00 C ATOM 0 H ILE A 56 -0.205 -11.829 -2.107 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.877 -9.884 -1.020 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.391 -11.809 -3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.422 -10.568 -3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.732 -9.925 -4.802 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.024 -10.111 -4.132 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.488 -10.791 -2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.759 -9.170 -2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.313 -8.138 -3.950 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.951 -8.015 -3.265 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.621 -8.669 -2.279 1.00 0.00 H new ATOM 931 N ARG A 57 -2.997 -13.019 -0.899 1.00 0.00 N ATOM 932 CA ARG A 57 -4.017 -13.888 -0.318 1.00 0.00 C ATOM 933 C ARG A 57 -3.871 -14.020 1.203 1.00 0.00 C ATOM 934 O ARG A 57 -4.870 -14.203 1.911 1.00 0.00 O ATOM 935 CB ARG A 57 -4.024 -15.277 -0.982 1.00 0.00 C ATOM 936 CG ARG A 57 -2.807 -16.131 -0.691 1.00 0.00 C ATOM 937 CD ARG A 57 -2.870 -17.437 -1.443 1.00 0.00 C ATOM 938 NE ARG A 57 -1.761 -18.320 -1.094 1.00 0.00 N ATOM 939 CZ ARG A 57 -0.807 -18.734 -1.937 1.00 0.00 C ATOM 940 NH1 ARG A 57 -0.782 -18.299 -3.193 1.00 0.00 N ATOM 941 NH2 ARG A 57 0.113 -19.592 -1.523 1.00 0.00 N ATOM 0 H ARG A 57 -2.303 -13.503 -1.469 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.976 -13.410 -0.516 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.914 -15.815 -0.655 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.109 -15.147 -2.061 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.903 -15.590 -0.971 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.743 -16.326 0.379 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.814 -17.936 -1.225 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.854 -17.240 -2.515 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.709 -18.648 -0.130 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.493 -17.645 -3.520 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.052 -18.619 -3.829 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.094 -19.936 -0.563 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.841 -19.908 -2.164 1.00 0.00 H new ATOM 955 N LYS A 58 -2.640 -13.911 1.696 1.00 0.00 N ATOM 956 CA LYS A 58 -2.362 -14.029 3.126 1.00 0.00 C ATOM 957 C LYS A 58 -2.885 -12.817 3.875 1.00 0.00 C ATOM 958 O LYS A 58 -3.345 -12.924 5.020 1.00 0.00 O ATOM 959 CB LYS A 58 -0.853 -14.161 3.370 1.00 0.00 C ATOM 960 CG LYS A 58 -0.225 -15.426 2.815 1.00 0.00 C ATOM 961 CD LYS A 58 -0.593 -16.654 3.616 1.00 0.00 C ATOM 962 CE LYS A 58 -0.023 -17.921 2.985 1.00 0.00 C ATOM 963 NZ LYS A 58 1.440 -17.840 2.779 1.00 0.00 N ATOM 0 H LYS A 58 -1.814 -13.740 1.123 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.867 -14.922 3.493 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.351 -13.300 2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.668 -14.122 4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.542 -15.562 1.781 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.859 -15.315 2.804 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.218 -16.552 4.634 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.678 -16.735 3.683 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.251 -18.775 3.623 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.513 -18.099 2.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.830 -18.799 2.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.640 -17.291 1.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.880 -17.373 3.597 1.00 0.00 H new ATOM 977 N ASN A 59 -2.828 -11.674 3.228 1.00 0.00 N ATOM 978 CA ASN A 59 -3.236 -10.428 3.848 1.00 0.00 C ATOM 979 C ASN A 59 -4.163 -9.690 2.912 1.00 0.00 C ATOM 980 O ASN A 59 -3.954 -8.506 2.606 1.00 0.00 O ATOM 981 CB ASN A 59 -2.016 -9.544 4.161 1.00 0.00 C ATOM 982 CG ASN A 59 -0.962 -10.220 5.021 1.00 0.00 C ATOM 983 OD1 ASN A 59 -1.022 -10.190 6.251 1.00 0.00 O ATOM 984 ND2 ASN A 59 0.027 -10.810 4.386 1.00 0.00 N ATOM 0 H ASN A 59 -2.501 -11.579 2.266 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.746 -10.654 4.784 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.558 -9.231 3.223 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.356 -8.640 4.666 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.775 -11.261 4.913 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.046 -10.817 3.366 1.00 0.00 H new ATOM 991 N LYS A 60 -5.208 -10.373 2.487 1.00 0.00 N ATOM 992 CA LYS A 60 -6.152 -9.829 1.519 1.00 0.00 C ATOM 993 C LYS A 60 -6.813 -8.560 2.015 1.00 0.00 C ATOM 994 O LYS A 60 -7.032 -7.653 1.243 1.00 0.00 O ATOM 995 CB LYS A 60 -7.192 -10.875 1.067 1.00 0.00 C ATOM 996 CG LYS A 60 -8.015 -11.482 2.191 1.00 0.00 C ATOM 997 CD LYS A 60 -9.002 -12.504 1.668 1.00 0.00 C ATOM 998 CE LYS A 60 -9.767 -13.155 2.804 1.00 0.00 C ATOM 999 NZ LYS A 60 -10.720 -14.168 2.320 1.00 0.00 N ATOM 0 H LYS A 60 -5.430 -11.318 2.799 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.569 -9.560 0.638 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.869 -10.408 0.351 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.675 -11.677 0.540 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.351 -11.954 2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.552 -10.693 2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.701 -12.022 0.984 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.472 -13.267 1.098 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.064 -13.620 3.495 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.305 -12.390 3.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.221 -14.588 3.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.408 -13.720 1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.205 -14.912 1.808 1.00 0.00 H new ATOM 1013 N GLU A 61 -7.072 -8.477 3.318 1.00 0.00 N ATOM 1014 CA GLU A 61 -7.672 -7.296 3.898 1.00 0.00 C ATOM 1015 C GLU A 61 -6.746 -6.091 3.761 1.00 0.00 C ATOM 1016 O GLU A 61 -7.184 -4.992 3.432 1.00 0.00 O ATOM 1017 CB GLU A 61 -7.992 -7.535 5.353 1.00 0.00 C ATOM 1018 CG GLU A 61 -8.970 -8.660 5.596 1.00 0.00 C ATOM 1019 CD GLU A 61 -9.380 -8.742 7.031 1.00 0.00 C ATOM 1020 OE1 GLU A 61 -10.352 -8.065 7.410 1.00 0.00 O ATOM 1021 OE2 GLU A 61 -8.750 -9.488 7.810 1.00 0.00 O ATOM 0 H GLU A 61 -6.872 -9.220 3.987 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.595 -7.085 3.358 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.066 -7.752 5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.398 -6.618 5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.853 -8.514 4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.519 -9.605 5.293 1.00 0.00 H new ATOM 1028 N PHE A 62 -5.459 -6.327 3.971 1.00 0.00 N ATOM 1029 CA PHE A 62 -4.445 -5.286 3.873 1.00 0.00 C ATOM 1030 C PHE A 62 -4.356 -4.802 2.434 1.00 0.00 C ATOM 1031 O PHE A 62 -4.438 -3.603 2.164 1.00 0.00 O ATOM 1032 CB PHE A 62 -3.077 -5.834 4.346 1.00 0.00 C ATOM 1033 CG PHE A 62 -1.920 -4.858 4.258 1.00 0.00 C ATOM 1034 CD1 PHE A 62 -1.660 -3.971 5.289 1.00 0.00 C ATOM 1035 CD2 PHE A 62 -1.090 -4.838 3.141 1.00 0.00 C ATOM 1036 CE1 PHE A 62 -0.604 -3.084 5.213 1.00 0.00 C ATOM 1037 CE2 PHE A 62 -0.033 -3.955 3.061 1.00 0.00 C ATOM 1038 CZ PHE A 62 0.211 -3.076 4.098 1.00 0.00 C ATOM 0 H PHE A 62 -5.088 -7.245 4.214 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.720 -4.448 4.513 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.175 -6.163 5.380 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.833 -6.715 3.753 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.292 -3.973 6.165 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.276 -5.522 2.326 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.416 -2.397 6.025 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.603 -3.951 2.188 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.038 -2.384 4.037 1.00 0.00 H new ATOM 1048 N TYR A 63 -4.236 -5.746 1.523 1.00 0.00 N ATOM 1049 CA TYR A 63 -4.094 -5.442 0.122 1.00 0.00 C ATOM 1050 C TYR A 63 -5.342 -4.858 -0.498 1.00 0.00 C ATOM 1051 O TYR A 63 -5.256 -3.993 -1.353 1.00 0.00 O ATOM 1052 CB TYR A 63 -3.535 -6.626 -0.650 1.00 0.00 C ATOM 1053 CG TYR A 63 -2.077 -6.822 -0.340 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -1.124 -6.016 -0.946 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -1.649 -7.772 0.567 1.00 0.00 C ATOM 1056 CE1 TYR A 63 0.212 -6.151 -0.659 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -0.311 -7.920 0.860 1.00 0.00 C ATOM 1058 CZ TYR A 63 0.617 -7.103 0.242 1.00 0.00 C ATOM 1059 OH TYR A 63 1.951 -7.237 0.530 1.00 0.00 O ATOM 0 H TYR A 63 -4.235 -6.743 1.737 1.00 0.00 H new ATOM 0 HA TYR A 63 -3.356 -4.643 0.050 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.091 -7.528 -0.394 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.666 -6.463 -1.720 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.439 -5.267 -1.658 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.374 -8.408 1.053 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.939 -5.512 -1.139 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.011 -8.669 1.568 1.00 0.00 H new ATOM 0 HH TYR A 63 2.481 -6.766 -0.147 1.00 0.00 H new ATOM 1069 N ASP A 64 -6.489 -5.290 -0.046 1.00 0.00 N ATOM 1070 CA ASP A 64 -7.747 -4.749 -0.542 1.00 0.00 C ATOM 1071 C ASP A 64 -7.904 -3.299 -0.110 1.00 0.00 C ATOM 1072 O ASP A 64 -8.272 -2.427 -0.920 1.00 0.00 O ATOM 1073 CB ASP A 64 -8.932 -5.569 -0.045 1.00 0.00 C ATOM 1074 CG ASP A 64 -10.244 -5.047 -0.563 1.00 0.00 C ATOM 1075 OD1 ASP A 64 -10.857 -4.184 0.082 1.00 0.00 O ATOM 1076 OD2 ASP A 64 -10.695 -5.493 -1.637 1.00 0.00 O ATOM 0 H ASP A 64 -6.589 -6.015 0.665 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.728 -4.799 -1.631 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.808 -6.607 -0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.945 -5.561 1.045 1.00 0.00 H new ATOM 1081 N MET A 65 -7.608 -3.031 1.159 1.00 0.00 N ATOM 1082 CA MET A 65 -7.689 -1.685 1.680 1.00 0.00 C ATOM 1083 C MET A 65 -6.672 -0.768 1.040 1.00 0.00 C ATOM 1084 O MET A 65 -7.021 0.340 0.644 1.00 0.00 O ATOM 1085 CB MET A 65 -7.625 -1.626 3.214 1.00 0.00 C ATOM 1086 CG MET A 65 -8.853 -2.218 3.880 1.00 0.00 C ATOM 1087 SD MET A 65 -8.908 -1.995 5.684 1.00 0.00 S ATOM 1088 CE MET A 65 -7.516 -2.990 6.205 1.00 0.00 C ATOM 0 H MET A 65 -7.311 -3.732 1.838 1.00 0.00 H new ATOM 0 HA MET A 65 -8.678 -1.318 1.405 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.739 -2.161 3.556 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.512 -0.588 3.528 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.743 -1.765 3.443 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.895 -3.284 3.656 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.872 -3.831 6.800 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.987 -3.364 5.328 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.839 -2.382 6.805 1.00 0.00 H new ATOM 1098 N ILE A 66 -5.421 -1.226 0.882 1.00 0.00 N ATOM 1099 CA ILE A 66 -4.443 -0.368 0.235 1.00 0.00 C ATOM 1100 C ILE A 66 -4.798 -0.132 -1.213 1.00 0.00 C ATOM 1101 O ILE A 66 -4.670 0.964 -1.670 1.00 0.00 O ATOM 1102 CB ILE A 66 -2.943 -0.792 0.347 1.00 0.00 C ATOM 1103 CG1 ILE A 66 -2.670 -2.142 -0.285 1.00 0.00 C ATOM 1104 CG2 ILE A 66 -2.484 -0.786 1.788 1.00 0.00 C ATOM 1105 CD1 ILE A 66 -1.197 -2.443 -0.441 1.00 0.00 C ATOM 0 H ILE A 66 -5.083 -2.141 1.180 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.510 0.554 0.813 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.370 -0.052 -0.211 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.130 -2.920 0.324 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.147 -2.180 -1.264 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.437 -1.085 1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.595 0.217 2.201 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.089 -1.485 2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.073 -3.424 -0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.736 -1.685 -1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.719 -2.437 0.538 1.00 0.00 H new ATOM 1117 N ALA A 67 -5.297 -1.164 -1.917 1.00 0.00 N ATOM 1118 CA ALA A 67 -5.693 -1.023 -3.327 1.00 0.00 C ATOM 1119 C ALA A 67 -6.714 0.090 -3.493 1.00 0.00 C ATOM 1120 O ALA A 67 -6.635 0.877 -4.431 1.00 0.00 O ATOM 1121 CB ALA A 67 -6.242 -2.332 -3.879 1.00 0.00 C ATOM 0 H ALA A 67 -5.435 -2.099 -1.534 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.801 -0.762 -3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.526 -2.196 -4.923 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.477 -3.106 -3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.116 -2.632 -3.301 1.00 0.00 H new ATOM 1127 N GLU A 68 -7.641 0.156 -2.557 1.00 0.00 N ATOM 1128 CA GLU A 68 -8.658 1.185 -2.525 1.00 0.00 C ATOM 1129 C GLU A 68 -8.001 2.559 -2.298 1.00 0.00 C ATOM 1130 O GLU A 68 -8.171 3.491 -3.101 1.00 0.00 O ATOM 1131 CB GLU A 68 -9.639 0.859 -1.392 1.00 0.00 C ATOM 1132 CG GLU A 68 -10.772 1.844 -1.216 1.00 0.00 C ATOM 1133 CD GLU A 68 -11.683 1.905 -2.408 1.00 0.00 C ATOM 1134 OE1 GLU A 68 -11.439 2.706 -3.321 1.00 0.00 O ATOM 1135 OE2 GLU A 68 -12.688 1.161 -2.437 1.00 0.00 O ATOM 0 H GLU A 68 -7.708 -0.512 -1.789 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.195 1.219 -3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.063 -0.129 -1.573 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.082 0.800 -0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.352 1.569 -0.335 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.359 2.835 -1.029 1.00 0.00 H new ATOM 1142 N ILE A 69 -7.212 2.647 -1.231 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.513 3.875 -0.842 1.00 0.00 C ATOM 1144 C ILE A 69 -5.593 4.369 -1.961 1.00 0.00 C ATOM 1145 O ILE A 69 -5.539 5.568 -2.239 1.00 0.00 O ATOM 1146 CB ILE A 69 -5.697 3.646 0.459 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -6.644 3.286 1.602 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -4.856 4.875 0.826 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -5.939 2.874 2.859 1.00 0.00 C ATOM 0 H ILE A 69 -7.036 1.862 -0.604 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.265 4.642 -0.658 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.006 2.821 0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.282 4.143 1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.297 2.475 1.280 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.300 4.675 1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.158 5.093 0.018 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.512 5.732 0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.675 2.633 3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.322 1.998 2.660 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.307 3.691 3.206 1.00 0.00 H new ATOM 1161 N LEU A 70 -4.900 3.443 -2.600 1.00 0.00 N ATOM 1162 CA LEU A 70 -4.002 3.746 -3.700 1.00 0.00 C ATOM 1163 C LEU A 70 -4.715 4.491 -4.810 1.00 0.00 C ATOM 1164 O LEU A 70 -4.248 5.525 -5.247 1.00 0.00 O ATOM 1165 CB LEU A 70 -3.351 2.466 -4.252 1.00 0.00 C ATOM 1166 CG LEU A 70 -2.391 1.727 -3.311 1.00 0.00 C ATOM 1167 CD1 LEU A 70 -1.945 0.414 -3.920 1.00 0.00 C ATOM 1168 CD2 LEU A 70 -1.192 2.587 -2.993 1.00 0.00 C ATOM 0 H LEU A 70 -4.945 2.451 -2.368 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.218 4.393 -3.307 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.144 1.777 -4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.807 2.724 -5.161 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.924 1.515 -2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.265 -0.092 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.815 -0.217 -4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.434 0.606 -4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.523 2.045 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.664 2.831 -3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.522 3.507 -2.510 1.00 0.00 H new ATOM 1180 N GLN A 71 -5.868 3.992 -5.225 1.00 0.00 N ATOM 1181 CA GLN A 71 -6.615 4.615 -6.320 1.00 0.00 C ATOM 1182 C GLN A 71 -7.151 5.972 -5.873 1.00 0.00 C ATOM 1183 O GLN A 71 -7.000 6.991 -6.569 1.00 0.00 O ATOM 1184 CB GLN A 71 -7.775 3.717 -6.773 1.00 0.00 C ATOM 1185 CG GLN A 71 -7.362 2.281 -7.054 1.00 0.00 C ATOM 1186 CD GLN A 71 -8.479 1.420 -7.608 1.00 0.00 C ATOM 1187 OE1 GLN A 71 -9.353 1.891 -8.333 1.00 0.00 O ATOM 1188 NE2 GLN A 71 -8.479 0.166 -7.235 1.00 0.00 N ATOM 0 H GLN A 71 -6.310 3.163 -4.827 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.939 4.752 -7.164 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.547 3.720 -6.004 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.221 4.140 -7.673 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.533 2.283 -7.761 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.993 1.832 -6.132 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.735 -0.187 -6.632 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.223 -0.459 -7.547 1.00 0.00 H new ATOM 1197 N ARG A 72 -7.717 5.973 -4.684 1.00 0.00 N ATOM 1198 CA ARG A 72 -8.303 7.114 -4.066 1.00 0.00 C ATOM 1199 C ARG A 72 -7.297 8.263 -3.919 1.00 0.00 C ATOM 1200 O ARG A 72 -7.570 9.398 -4.319 1.00 0.00 O ATOM 1201 CB ARG A 72 -8.814 6.650 -2.719 1.00 0.00 C ATOM 1202 CG ARG A 72 -9.425 7.689 -1.839 1.00 0.00 C ATOM 1203 CD ARG A 72 -9.970 7.024 -0.599 1.00 0.00 C ATOM 1204 NE ARG A 72 -11.077 6.115 -0.917 1.00 0.00 N ATOM 1205 CZ ARG A 72 -11.624 5.217 -0.091 1.00 0.00 C ATOM 1206 NH1 ARG A 72 -11.142 5.014 1.126 1.00 0.00 N ATOM 1207 NH2 ARG A 72 -12.662 4.510 -0.499 1.00 0.00 N ATOM 0 H ARG A 72 -7.777 5.134 -4.107 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.112 7.512 -4.678 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.555 5.868 -2.887 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.985 6.192 -2.180 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.681 8.438 -1.568 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.223 8.209 -2.369 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.174 6.469 -0.103 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.313 7.785 0.102 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.466 6.174 -1.858 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.336 5.548 1.451 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.577 4.323 1.738 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.039 4.652 -1.436 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.087 3.822 0.123 1.00 0.00 H new ATOM 1221 N TYR A 73 -6.140 7.962 -3.394 1.00 0.00 N ATOM 1222 CA TYR A 73 -5.149 8.968 -3.148 1.00 0.00 C ATOM 1223 C TYR A 73 -4.230 9.241 -4.316 1.00 0.00 C ATOM 1224 O TYR A 73 -3.546 10.257 -4.324 1.00 0.00 O ATOM 1225 CB TYR A 73 -4.392 8.739 -1.845 1.00 0.00 C ATOM 1226 CG TYR A 73 -5.212 9.082 -0.631 1.00 0.00 C ATOM 1227 CD1 TYR A 73 -6.087 8.169 -0.071 1.00 0.00 C ATOM 1228 CD2 TYR A 73 -5.124 10.341 -0.060 1.00 0.00 C ATOM 1229 CE1 TYR A 73 -6.848 8.501 1.026 1.00 0.00 C ATOM 1230 CE2 TYR A 73 -5.882 10.681 1.035 1.00 0.00 C ATOM 1231 CZ TYR A 73 -6.742 9.762 1.572 1.00 0.00 C ATOM 1232 OH TYR A 73 -7.504 10.106 2.657 1.00 0.00 O ATOM 0 H TYR A 73 -5.861 7.018 -3.127 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.717 9.890 -3.025 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.083 7.695 -1.787 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.483 9.341 -1.847 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.174 7.182 -0.501 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.447 11.069 -0.483 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -7.525 7.778 1.457 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.799 11.667 1.469 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.038 10.899 2.443 1.00 0.00 H new ATOM 1242 N TYR A 74 -4.197 8.373 -5.308 1.00 0.00 N ATOM 1243 CA TYR A 74 -3.409 8.662 -6.501 1.00 0.00 C ATOM 1244 C TYR A 74 -4.038 9.844 -7.239 1.00 0.00 C ATOM 1245 O TYR A 74 -3.348 10.677 -7.827 1.00 0.00 O ATOM 1246 CB TYR A 74 -3.234 7.395 -7.391 1.00 0.00 C ATOM 1247 CG TYR A 74 -3.700 7.498 -8.833 1.00 0.00 C ATOM 1248 CD1 TYR A 74 -2.858 7.965 -9.833 1.00 0.00 C ATOM 1249 CD2 TYR A 74 -4.982 7.122 -9.184 1.00 0.00 C ATOM 1250 CE1 TYR A 74 -3.289 8.054 -11.140 1.00 0.00 C ATOM 1251 CE2 TYR A 74 -5.420 7.207 -10.483 1.00 0.00 C ATOM 1252 CZ TYR A 74 -4.573 7.673 -11.460 1.00 0.00 C ATOM 1253 OH TYR A 74 -5.020 7.768 -12.759 1.00 0.00 O ATOM 0 H TYR A 74 -4.692 7.481 -5.319 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.397 8.949 -6.216 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.178 7.126 -7.394 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.771 6.572 -6.919 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.850 8.263 -9.584 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.653 6.754 -8.422 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.624 8.420 -11.908 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.427 6.909 -10.736 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.948 7.457 -12.809 1.00 0.00 H new ATOM 1263 N LYS A 75 -5.351 9.936 -7.146 1.00 0.00 N ATOM 1264 CA LYS A 75 -6.074 11.040 -7.729 1.00 0.00 C ATOM 1265 C LYS A 75 -6.028 12.271 -6.821 1.00 0.00 C ATOM 1266 O LYS A 75 -6.288 13.389 -7.260 1.00 0.00 O ATOM 1267 CB LYS A 75 -7.529 10.662 -8.002 1.00 0.00 C ATOM 1268 CG LYS A 75 -7.712 9.465 -8.917 1.00 0.00 C ATOM 1269 CD LYS A 75 -9.171 9.275 -9.333 1.00 0.00 C ATOM 1270 CE LYS A 75 -9.585 10.176 -10.513 1.00 0.00 C ATOM 1271 NZ LYS A 75 -9.407 11.631 -10.273 1.00 0.00 N ATOM 0 H LYS A 75 -5.938 9.252 -6.668 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.588 11.280 -8.674 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.021 10.454 -7.052 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.037 11.520 -8.443 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.096 9.592 -9.807 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.360 8.566 -8.411 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.332 8.232 -9.606 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.816 9.484 -8.480 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.004 9.892 -11.391 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.632 9.985 -10.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.933 12.168 -10.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.766 11.873 -9.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.397 11.871 -10.332 1.00 0.00 H new ATOM 1285 N LYS A 76 -5.701 12.066 -5.566 1.00 0.00 N ATOM 1286 CA LYS A 76 -5.709 13.154 -4.611 1.00 0.00 C ATOM 1287 C LYS A 76 -4.321 13.779 -4.475 1.00 0.00 C ATOM 1288 O LYS A 76 -4.181 14.989 -4.523 1.00 0.00 O ATOM 1289 CB LYS A 76 -6.252 12.678 -3.248 1.00 0.00 C ATOM 1290 CG LYS A 76 -6.540 13.798 -2.247 1.00 0.00 C ATOM 1291 CD LYS A 76 -7.215 13.253 -0.988 1.00 0.00 C ATOM 1292 CE LYS A 76 -7.645 14.371 -0.033 1.00 0.00 C ATOM 1293 NZ LYS A 76 -6.503 15.112 0.539 1.00 0.00 N ATOM 0 H LYS A 76 -5.427 11.161 -5.182 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.378 13.930 -4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.170 12.114 -3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.531 11.990 -2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.609 14.297 -1.977 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.181 14.548 -2.711 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.087 12.664 -1.271 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.530 12.580 -0.472 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.293 15.067 -0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.235 13.942 0.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.793 16.088 0.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -6.192 14.647 1.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.719 15.123 -0.144 1.00 0.00 H new ATOM 1307 N ILE A 77 -3.303 12.951 -4.321 1.00 0.00 N ATOM 1308 CA ILE A 77 -1.937 13.448 -4.161 1.00 0.00 C ATOM 1309 C ILE A 77 -0.968 12.818 -5.169 1.00 0.00 C ATOM 1310 O ILE A 77 0.009 13.444 -5.571 1.00 0.00 O ATOM 1311 CB ILE A 77 -1.398 13.237 -2.716 1.00 0.00 C ATOM 1312 CG1 ILE A 77 -1.521 11.760 -2.296 1.00 0.00 C ATOM 1313 CG2 ILE A 77 -2.122 14.152 -1.733 1.00 0.00 C ATOM 1314 CD1 ILE A 77 -0.972 11.449 -0.923 1.00 0.00 C ATOM 0 H ILE A 77 -3.390 11.935 -4.303 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.990 14.519 -4.356 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.340 13.500 -2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.572 11.474 -2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.001 11.143 -3.029 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.731 13.989 -0.729 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.964 15.192 -2.020 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.189 13.930 -1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.101 10.388 -0.711 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.088 11.700 -0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.507 12.035 -0.176 1.00 0.00 H new ATOM 1326 N GLY A 78 -1.234 11.597 -5.577 1.00 0.00 N ATOM 1327 CA GLY A 78 -0.388 10.957 -6.561 1.00 0.00 C ATOM 1328 C GLY A 78 0.158 9.650 -6.069 1.00 0.00 C ATOM 1329 O GLY A 78 0.511 9.538 -4.894 1.00 0.00 O ATOM 0 H GLY A 78 -2.018 11.033 -5.249 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.958 10.791 -7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.437 11.621 -6.816 1.00 0.00 H new ATOM 1333 N ILE A 79 0.266 8.663 -6.962 1.00 0.00 N ATOM 1334 CA ILE A 79 0.715 7.320 -6.581 1.00 0.00 C ATOM 1335 C ILE A 79 2.140 7.345 -6.028 1.00 0.00 C ATOM 1336 O ILE A 79 2.450 6.601 -5.105 1.00 0.00 O ATOM 1337 CB ILE A 79 0.556 6.253 -7.738 1.00 0.00 C ATOM 1338 CG1 ILE A 79 1.012 4.851 -7.287 1.00 0.00 C ATOM 1339 CG2 ILE A 79 1.297 6.660 -9.002 1.00 0.00 C ATOM 1340 CD1 ILE A 79 0.242 4.292 -6.107 1.00 0.00 C ATOM 0 H ILE A 79 0.049 8.768 -7.953 1.00 0.00 H new ATOM 0 HA ILE A 79 0.049 6.993 -5.783 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.508 6.214 -7.970 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.916 4.163 -8.127 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.070 4.892 -7.028 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.158 5.896 -9.767 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.905 7.611 -9.363 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.360 6.765 -8.783 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.627 3.304 -5.856 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.358 4.955 -5.250 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.814 4.215 -6.365 1.00 0.00 H new ATOM 1352 N GLU A 80 2.971 8.245 -6.558 1.00 0.00 N ATOM 1353 CA GLU A 80 4.355 8.422 -6.090 1.00 0.00 C ATOM 1354 C GLU A 80 4.348 8.652 -4.572 1.00 0.00 C ATOM 1355 O GLU A 80 5.065 7.992 -3.793 1.00 0.00 O ATOM 1356 CB GLU A 80 5.019 9.674 -6.730 1.00 0.00 C ATOM 1357 CG GLU A 80 4.882 9.848 -8.247 1.00 0.00 C ATOM 1358 CD GLU A 80 3.508 10.344 -8.661 1.00 0.00 C ATOM 1359 OE1 GLU A 80 3.235 11.560 -8.533 1.00 0.00 O ATOM 1360 OE2 GLU A 80 2.682 9.535 -9.102 1.00 0.00 O ATOM 0 H GLU A 80 2.709 8.871 -7.320 1.00 0.00 H new ATOM 0 HA GLU A 80 4.911 7.526 -6.368 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.601 10.559 -6.250 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.082 9.652 -6.488 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.638 10.551 -8.597 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.082 8.895 -8.737 1.00 0.00 H new ATOM 1367 N ASN A 81 3.499 9.572 -4.180 1.00 0.00 N ATOM 1368 CA ASN A 81 3.349 9.999 -2.800 1.00 0.00 C ATOM 1369 C ASN A 81 2.747 8.898 -1.962 1.00 0.00 C ATOM 1370 O ASN A 81 3.256 8.580 -0.886 1.00 0.00 O ATOM 1371 CB ASN A 81 2.460 11.261 -2.707 1.00 0.00 C ATOM 1372 CG ASN A 81 3.050 12.488 -3.387 1.00 0.00 C ATOM 1373 OD1 ASN A 81 3.793 12.387 -4.361 1.00 0.00 O ATOM 1374 ND2 ASN A 81 2.723 13.651 -2.901 1.00 0.00 N ATOM 0 H ASN A 81 2.876 10.059 -4.824 1.00 0.00 H new ATOM 0 HA ASN A 81 4.342 10.236 -2.418 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.490 11.043 -3.153 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.283 11.491 -1.656 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.085 14.503 -3.329 1.00 0.00 H new ATOM 0 HD22 ASN A 81 2.105 13.710 -2.092 1.00 0.00 H new ATOM 1381 N VAL A 82 1.683 8.292 -2.473 1.00 0.00 N ATOM 1382 CA VAL A 82 0.965 7.248 -1.743 1.00 0.00 C ATOM 1383 C VAL A 82 1.866 6.042 -1.500 1.00 0.00 C ATOM 1384 O VAL A 82 1.830 5.460 -0.433 1.00 0.00 O ATOM 1385 CB VAL A 82 -0.334 6.796 -2.466 1.00 0.00 C ATOM 1386 CG1 VAL A 82 -1.148 5.866 -1.584 1.00 0.00 C ATOM 1387 CG2 VAL A 82 -1.170 7.982 -2.860 1.00 0.00 C ATOM 0 H VAL A 82 1.295 8.504 -3.392 1.00 0.00 H new ATOM 0 HA VAL A 82 0.673 7.684 -0.788 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.040 6.259 -3.368 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.052 5.563 -2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.556 4.983 -1.342 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.421 6.383 -0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.073 7.639 -3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.444 8.546 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.599 8.622 -3.533 1.00 0.00 H new ATOM 1397 N ASN A 83 2.695 5.713 -2.487 1.00 0.00 N ATOM 1398 CA ASN A 83 3.665 4.598 -2.396 1.00 0.00 C ATOM 1399 C ASN A 83 4.514 4.764 -1.135 1.00 0.00 C ATOM 1400 O ASN A 83 4.589 3.877 -0.285 1.00 0.00 O ATOM 1401 CB ASN A 83 4.572 4.615 -3.667 1.00 0.00 C ATOM 1402 CG ASN A 83 5.649 3.513 -3.751 1.00 0.00 C ATOM 1403 OD1 ASN A 83 6.191 3.041 -2.751 1.00 0.00 O ATOM 1404 ND2 ASN A 83 5.990 3.126 -4.960 1.00 0.00 N ATOM 0 H ASN A 83 2.722 6.206 -3.379 1.00 0.00 H new ATOM 0 HA ASN A 83 3.139 3.645 -2.340 1.00 0.00 H new ATOM 0 HB2 ASN A 83 3.932 4.536 -4.546 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.068 5.584 -3.721 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.717 2.421 -5.084 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.528 3.530 -5.774 1.00 0.00 H new ATOM 1411 N GLN A 84 5.053 5.941 -0.975 1.00 0.00 N ATOM 1412 CA GLN A 84 5.903 6.244 0.152 1.00 0.00 C ATOM 1413 C GLN A 84 5.043 6.306 1.437 1.00 0.00 C ATOM 1414 O GLN A 84 5.439 5.809 2.494 1.00 0.00 O ATOM 1415 CB GLN A 84 6.619 7.579 -0.110 1.00 0.00 C ATOM 1416 CG GLN A 84 7.961 7.808 0.618 1.00 0.00 C ATOM 1417 CD GLN A 84 7.878 7.867 2.133 1.00 0.00 C ATOM 1418 OE1 GLN A 84 7.656 8.933 2.712 1.00 0.00 O ATOM 1419 NE2 GLN A 84 8.129 6.760 2.792 1.00 0.00 N ATOM 0 H GLN A 84 4.918 6.720 -1.620 1.00 0.00 H new ATOM 0 HA GLN A 84 6.657 5.468 0.286 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.796 7.664 -1.182 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.941 8.387 0.166 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.647 7.008 0.339 1.00 0.00 H new ATOM 0 HG3 GLN A 84 8.396 8.741 0.258 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.309 5.894 2.284 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.144 6.766 3.812 1.00 0.00 H new ATOM 1428 N LEU A 85 3.856 6.869 1.331 1.00 0.00 N ATOM 1429 CA LEU A 85 2.978 7.015 2.485 1.00 0.00 C ATOM 1430 C LEU A 85 2.441 5.677 3.015 1.00 0.00 C ATOM 1431 O LEU A 85 2.257 5.534 4.220 1.00 0.00 O ATOM 1432 CB LEU A 85 1.860 8.026 2.237 1.00 0.00 C ATOM 1433 CG LEU A 85 2.322 9.476 2.013 1.00 0.00 C ATOM 1434 CD1 LEU A 85 1.138 10.380 1.776 1.00 0.00 C ATOM 1435 CD2 LEU A 85 3.146 9.985 3.195 1.00 0.00 C ATOM 0 H LEU A 85 3.473 7.234 0.459 1.00 0.00 H new ATOM 0 HA LEU A 85 3.604 7.419 3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.289 7.705 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.180 8.006 3.088 1.00 0.00 H new ATOM 0 HG LEU A 85 2.957 9.488 1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.485 11.401 1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.594 10.043 0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.478 10.350 2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.457 11.012 3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.542 9.950 4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.027 9.356 3.322 1.00 0.00 H new ATOM 1447 N ILE A 86 2.222 4.707 2.139 1.00 0.00 N ATOM 1448 CA ILE A 86 1.801 3.360 2.561 1.00 0.00 C ATOM 1449 C ILE A 86 2.945 2.700 3.332 1.00 0.00 C ATOM 1450 O ILE A 86 2.741 2.025 4.353 1.00 0.00 O ATOM 1451 CB ILE A 86 1.355 2.466 1.356 1.00 0.00 C ATOM 1452 CG1 ILE A 86 0.116 3.060 0.657 1.00 0.00 C ATOM 1453 CG2 ILE A 86 1.083 1.019 1.789 1.00 0.00 C ATOM 1454 CD1 ILE A 86 -1.113 3.204 1.544 1.00 0.00 C ATOM 0 H ILE A 86 2.326 4.818 1.130 1.00 0.00 H new ATOM 0 HA ILE A 86 0.928 3.463 3.205 1.00 0.00 H new ATOM 0 HB ILE A 86 2.181 2.450 0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.376 4.041 0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.140 2.429 -0.194 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.776 0.432 0.923 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.990 0.590 2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.290 1.006 2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.932 3.630 0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.406 2.224 1.921 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.882 3.861 2.382 1.00 0.00 H new ATOM 1466 N LEU A 87 4.155 2.948 2.878 1.00 0.00 N ATOM 1467 CA LEU A 87 5.324 2.450 3.565 1.00 0.00 C ATOM 1468 C LEU A 87 5.435 3.135 4.925 1.00 0.00 C ATOM 1469 O LEU A 87 5.728 2.507 5.932 1.00 0.00 O ATOM 1470 CB LEU A 87 6.569 2.674 2.708 1.00 0.00 C ATOM 1471 CG LEU A 87 6.547 1.967 1.346 1.00 0.00 C ATOM 1472 CD1 LEU A 87 7.784 2.295 0.546 1.00 0.00 C ATOM 1473 CD2 LEU A 87 6.411 0.460 1.524 1.00 0.00 C ATOM 0 H LEU A 87 4.353 3.491 2.037 1.00 0.00 H new ATOM 0 HA LEU A 87 5.235 1.376 3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.693 3.745 2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.442 2.334 3.264 1.00 0.00 H new ATOM 0 HG LEU A 87 5.680 2.329 0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.743 1.781 -0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.835 3.371 0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.668 1.970 1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.397 -0.022 0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.255 0.084 2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.483 0.238 2.051 1.00 0.00 H new ATOM 1485 N THR A 88 5.113 4.411 4.938 1.00 0.00 N ATOM 1486 CA THR A 88 5.064 5.227 6.146 1.00 0.00 C ATOM 1487 C THR A 88 4.008 4.667 7.141 1.00 0.00 C ATOM 1488 O THR A 88 4.209 4.682 8.369 1.00 0.00 O ATOM 1489 CB THR A 88 4.697 6.682 5.751 1.00 0.00 C ATOM 1490 OG1 THR A 88 5.683 7.200 4.838 1.00 0.00 O ATOM 1491 CG2 THR A 88 4.596 7.599 6.955 1.00 0.00 C ATOM 0 H THR A 88 4.871 4.928 4.092 1.00 0.00 H new ATOM 0 HA THR A 88 6.038 5.207 6.635 1.00 0.00 H new ATOM 0 HB THR A 88 3.717 6.652 5.276 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.571 6.777 3.961 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.337 8.605 6.625 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.825 7.229 7.631 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.553 7.623 7.476 1.00 0.00 H new ATOM 1499 N THR A 89 2.928 4.129 6.585 1.00 0.00 N ATOM 1500 CA THR A 89 1.812 3.592 7.338 1.00 0.00 C ATOM 1501 C THR A 89 2.289 2.495 8.293 1.00 0.00 C ATOM 1502 O THR A 89 2.007 2.537 9.503 1.00 0.00 O ATOM 1503 CB THR A 89 0.767 2.990 6.362 1.00 0.00 C ATOM 1504 OG1 THR A 89 0.426 3.954 5.372 1.00 0.00 O ATOM 1505 CG2 THR A 89 -0.497 2.562 7.082 1.00 0.00 C ATOM 0 H THR A 89 2.806 4.055 5.575 1.00 0.00 H new ATOM 0 HA THR A 89 1.363 4.400 7.915 1.00 0.00 H new ATOM 0 HB THR A 89 1.216 2.109 5.903 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.211 4.597 5.748 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.202 2.146 6.363 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.252 1.807 7.829 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.946 3.425 7.573 1.00 0.00 H new ATOM 1513 N ILE A 90 3.046 1.564 7.748 1.00 0.00 N ATOM 1514 CA ILE A 90 3.515 0.413 8.497 1.00 0.00 C ATOM 1515 C ILE A 90 4.863 0.659 9.194 1.00 0.00 C ATOM 1516 O ILE A 90 5.053 0.278 10.341 1.00 0.00 O ATOM 1517 CB ILE A 90 3.627 -0.848 7.583 1.00 0.00 C ATOM 1518 CG1 ILE A 90 4.540 -0.556 6.368 1.00 0.00 C ATOM 1519 CG2 ILE A 90 2.240 -1.287 7.126 1.00 0.00 C ATOM 1520 CD1 ILE A 90 4.877 -1.750 5.509 1.00 0.00 C ATOM 0 H ILE A 90 3.353 1.583 6.776 1.00 0.00 H new ATOM 0 HA ILE A 90 2.768 0.239 9.271 1.00 0.00 H new ATOM 0 HB ILE A 90 4.076 -1.660 8.155 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.056 0.194 5.743 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.469 -0.117 6.731 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.328 -2.167 6.489 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.630 -1.529 7.996 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.769 -0.479 6.566 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.520 -1.437 4.687 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.395 -2.497 6.111 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.959 -2.180 5.108 1.00 0.00 H new ATOM 1532 N LYS A 91 5.773 1.328 8.511 1.00 0.00 N ATOM 1533 CA LYS A 91 7.137 1.472 8.984 1.00 0.00 C ATOM 1534 C LYS A 91 7.257 2.476 10.123 1.00 0.00 C ATOM 1535 O LYS A 91 8.116 2.332 11.001 1.00 0.00 O ATOM 1536 CB LYS A 91 8.036 1.825 7.810 1.00 0.00 C ATOM 1537 CG LYS A 91 9.511 1.811 8.105 1.00 0.00 C ATOM 1538 CD LYS A 91 10.286 1.982 6.830 1.00 0.00 C ATOM 1539 CE LYS A 91 11.773 1.993 7.099 1.00 0.00 C ATOM 1540 NZ LYS A 91 12.566 2.178 5.869 1.00 0.00 N ATOM 0 H LYS A 91 5.589 1.785 7.618 1.00 0.00 H new ATOM 0 HA LYS A 91 7.461 0.520 9.405 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.838 1.125 6.998 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.763 2.817 7.450 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.759 2.611 8.802 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.786 0.872 8.586 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.043 1.173 6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.994 2.913 6.344 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.006 2.793 7.802 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.060 1.056 7.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.579 2.179 6.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.366 1.402 5.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.314 3.085 5.426 1.00 0.00 H new ATOM 1554 N LEU A 92 6.380 3.467 10.150 1.00 0.00 N ATOM 1555 CA LEU A 92 6.406 4.440 11.228 1.00 0.00 C ATOM 1556 C LEU A 92 5.538 4.012 12.403 1.00 0.00 C ATOM 1557 O LEU A 92 4.924 4.855 13.073 1.00 0.00 O ATOM 1558 CB LEU A 92 6.039 5.862 10.774 1.00 0.00 C ATOM 1559 CG LEU A 92 7.016 6.569 9.829 1.00 0.00 C ATOM 1560 CD1 LEU A 92 6.657 8.041 9.718 1.00 0.00 C ATOM 1561 CD2 LEU A 92 8.449 6.414 10.309 1.00 0.00 C ATOM 0 H LEU A 92 5.653 3.617 9.450 1.00 0.00 H new ATOM 0 HA LEU A 92 7.443 4.473 11.561 1.00 0.00 H new ATOM 0 HB2 LEU A 92 5.066 5.820 10.284 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.922 6.481 11.664 1.00 0.00 H new ATOM 0 HG LEU A 92 6.937 6.105 8.846 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.356 8.536 9.044 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.644 8.140 9.327 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.712 8.504 10.703 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.121 6.925 9.620 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.549 6.850 11.303 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.707 5.356 10.349 1.00 0.00 H new ATOM 1573 N GLU A 93 5.489 2.714 12.648 1.00 0.00 N ATOM 1574 CA GLU A 93 4.849 2.168 13.826 1.00 0.00 C ATOM 1575 C GLU A 93 5.715 2.671 14.996 1.00 0.00 C ATOM 1576 O GLU A 93 5.310 3.580 15.740 1.00 0.00 O ATOM 1577 CB GLU A 93 4.866 0.623 13.704 1.00 0.00 C ATOM 1578 CG GLU A 93 3.923 -0.161 14.614 1.00 0.00 C ATOM 1579 CD GLU A 93 4.201 -0.032 16.087 1.00 0.00 C ATOM 1580 OE1 GLU A 93 5.327 -0.329 16.510 1.00 0.00 O ATOM 1581 OE2 GLU A 93 3.265 0.342 16.841 1.00 0.00 O ATOM 0 H GLU A 93 5.894 2.009 12.032 1.00 0.00 H new ATOM 0 HA GLU A 93 3.810 2.468 13.962 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.632 0.363 12.672 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.883 0.280 13.896 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.902 0.169 14.423 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.974 -1.215 14.342 1.00 0.00 H new ATOM 1588 N HIS A 94 6.944 2.131 15.050 1.00 0.00 N ATOM 1589 CA HIS A 94 8.059 2.554 15.923 1.00 0.00 C ATOM 1590 C HIS A 94 7.756 2.528 17.436 1.00 0.00 C ATOM 1591 O HIS A 94 8.430 1.829 18.189 1.00 0.00 O ATOM 1592 CB HIS A 94 8.616 3.919 15.473 1.00 0.00 C ATOM 1593 CG HIS A 94 9.914 4.301 16.124 1.00 0.00 C ATOM 1594 ND1 HIS A 94 11.135 3.907 15.639 1.00 0.00 N ATOM 1595 CD2 HIS A 94 10.176 5.038 17.220 1.00 0.00 C ATOM 1596 CE1 HIS A 94 12.086 4.379 16.399 1.00 0.00 C ATOM 1597 NE2 HIS A 94 11.535 5.069 17.369 1.00 0.00 N ATOM 0 H HIS A 94 7.203 1.345 14.454 1.00 0.00 H new ATOM 0 HA HIS A 94 8.829 1.793 15.795 1.00 0.00 H new ATOM 0 HB2 HIS A 94 8.756 3.903 14.392 1.00 0.00 H new ATOM 0 HB3 HIS A 94 7.875 4.689 15.687 1.00 0.00 H new ATOM 0 HD2 HIS A 94 9.449 5.515 17.861 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.145 4.227 16.254 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.039 5.551 18.114 1.00 0.00 H new ATOM 1606 N HIS A 95 6.809 3.317 17.873 1.00 0.00 N ATOM 1607 CA HIS A 95 6.425 3.359 19.266 1.00 0.00 C ATOM 1608 C HIS A 95 5.453 2.225 19.482 1.00 0.00 C ATOM 1609 O HIS A 95 4.236 2.383 19.354 1.00 0.00 O ATOM 1610 CB HIS A 95 5.802 4.711 19.628 1.00 0.00 C ATOM 1611 CG HIS A 95 5.470 4.876 21.079 1.00 0.00 C ATOM 1612 ND1 HIS A 95 4.213 4.694 21.583 1.00 0.00 N ATOM 1613 CD2 HIS A 95 6.238 5.237 22.126 1.00 0.00 C ATOM 1614 CE1 HIS A 95 4.218 4.933 22.869 1.00 0.00 C ATOM 1615 NE2 HIS A 95 5.433 5.262 23.223 1.00 0.00 N ATOM 0 H HIS A 95 6.279 3.951 17.274 1.00 0.00 H new ATOM 0 HA HIS A 95 7.295 3.246 19.913 1.00 0.00 H new ATOM 0 HB2 HIS A 95 6.490 5.504 19.334 1.00 0.00 H new ATOM 0 HB3 HIS A 95 4.892 4.845 19.043 1.00 0.00 H new ATOM 0 HD2 HIS A 95 7.294 5.464 22.099 1.00 0.00 H new ATOM 0 HE1 HIS A 95 3.364 4.869 23.527 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.730 5.499 24.170 1.00 0.00 H new ATOM 1624 N HIS A 96 6.017 1.099 19.767 1.00 0.00 N ATOM 1625 CA HIS A 96 5.327 -0.154 19.771 1.00 0.00 C ATOM 1626 C HIS A 96 4.433 -0.311 20.990 1.00 0.00 C ATOM 1627 O HIS A 96 4.901 -0.632 22.081 1.00 0.00 O ATOM 1628 CB HIS A 96 6.374 -1.263 19.699 1.00 0.00 C ATOM 1629 CG HIS A 96 5.916 -2.520 19.064 1.00 0.00 C ATOM 1630 ND1 HIS A 96 5.700 -2.613 17.722 1.00 0.00 N ATOM 1631 CD2 HIS A 96 5.699 -3.749 19.566 1.00 0.00 C ATOM 1632 CE1 HIS A 96 5.380 -3.836 17.410 1.00 0.00 C ATOM 1633 NE2 HIS A 96 5.370 -4.555 18.514 1.00 0.00 N ATOM 0 H HIS A 96 7.004 1.020 20.012 1.00 0.00 H new ATOM 0 HA HIS A 96 4.662 -0.207 18.909 1.00 0.00 H new ATOM 0 HB2 HIS A 96 7.238 -0.890 19.149 1.00 0.00 H new ATOM 0 HB3 HIS A 96 6.713 -1.488 20.710 1.00 0.00 H new ATOM 0 HD1 HIS A 96 5.777 -1.840 17.061 1.00 0.00 H new ATOM 0 HD2 HIS A 96 5.771 -4.042 20.603 1.00 0.00 H new ATOM 0 HE1 HIS A 96 5.160 -4.199 16.417 1.00 0.00 H new ATOM 1642 N HIS A 97 3.161 -0.032 20.809 1.00 0.00 N ATOM 1643 CA HIS A 97 2.175 -0.210 21.866 1.00 0.00 C ATOM 1644 C HIS A 97 1.679 -1.642 21.826 1.00 0.00 C ATOM 1645 O HIS A 97 0.835 -1.983 20.991 1.00 0.00 O ATOM 1646 CB HIS A 97 0.991 0.788 21.711 1.00 0.00 C ATOM 1647 CG HIS A 97 -0.109 0.668 22.766 1.00 0.00 C ATOM 1648 ND1 HIS A 97 -0.257 1.552 23.812 1.00 0.00 N ATOM 1649 CD2 HIS A 97 -1.125 -0.223 22.899 1.00 0.00 C ATOM 1650 CE1 HIS A 97 -1.304 1.210 24.533 1.00 0.00 C ATOM 1651 NE2 HIS A 97 -1.846 0.142 23.999 1.00 0.00 N ATOM 0 H HIS A 97 2.777 0.323 19.933 1.00 0.00 H new ATOM 0 HA HIS A 97 2.640 -0.005 22.830 1.00 0.00 H new ATOM 0 HB2 HIS A 97 1.387 1.803 21.738 1.00 0.00 H new ATOM 0 HB3 HIS A 97 0.544 0.646 20.727 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.326 -1.065 22.253 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -1.657 1.723 25.416 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -2.674 -0.339 24.350 1.00 0.00 H new ATOM 1660 N HIS A 98 2.236 -2.470 22.704 1.00 0.00 N ATOM 1661 CA HIS A 98 1.927 -3.909 22.838 1.00 0.00 C ATOM 1662 C HIS A 98 2.413 -4.709 21.623 1.00 0.00 C ATOM 1663 O HIS A 98 3.299 -5.545 21.737 1.00 0.00 O ATOM 1664 CB HIS A 98 0.421 -4.159 23.124 1.00 0.00 C ATOM 1665 CG HIS A 98 0.070 -5.597 23.416 1.00 0.00 C ATOM 1666 ND1 HIS A 98 0.049 -6.118 24.684 1.00 0.00 N ATOM 1667 CD2 HIS A 98 -0.296 -6.609 22.597 1.00 0.00 C ATOM 1668 CE1 HIS A 98 -0.313 -7.379 24.638 1.00 0.00 C ATOM 1669 NE2 HIS A 98 -0.529 -7.705 23.385 1.00 0.00 N ATOM 0 H HIS A 98 2.942 -2.157 23.371 1.00 0.00 H new ATOM 0 HA HIS A 98 2.478 -4.271 23.706 1.00 0.00 H new ATOM 0 HB2 HIS A 98 0.118 -3.545 23.972 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -0.160 -3.824 22.265 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -0.388 -6.562 21.522 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -0.416 -8.037 25.488 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -0.822 -8.624 23.053 1.00 0.00 H new ATOM 1678 N HIS A 99 1.829 -4.439 20.497 1.00 0.00 N ATOM 1679 CA HIS A 99 2.139 -5.068 19.248 1.00 0.00 C ATOM 1680 C HIS A 99 1.634 -4.156 18.173 1.00 0.00 C ATOM 1681 O HIS A 99 0.441 -4.194 17.864 1.00 0.00 O ATOM 1682 CB HIS A 99 1.507 -6.473 19.126 1.00 0.00 C ATOM 1683 CG HIS A 99 1.783 -7.162 17.808 1.00 0.00 C ATOM 1684 ND1 HIS A 99 2.960 -7.820 17.524 1.00 0.00 N ATOM 1685 CD2 HIS A 99 1.017 -7.289 16.704 1.00 0.00 C ATOM 1686 CE1 HIS A 99 2.901 -8.320 16.308 1.00 0.00 C ATOM 1687 NE2 HIS A 99 1.733 -8.011 15.790 1.00 0.00 N ATOM 1688 OXT HIS A 99 2.402 -3.354 17.686 1.00 0.00 O ATOM 0 H HIS A 99 1.089 -3.742 20.419 1.00 0.00 H new ATOM 0 HA HIS A 99 3.215 -5.223 19.164 1.00 0.00 H new ATOM 0 HB2 HIS A 99 1.880 -7.099 19.936 1.00 0.00 H new ATOM 0 HB3 HIS A 99 0.429 -6.388 19.260 1.00 0.00 H new ATOM 0 HD2 HIS A 99 0.021 -6.893 16.568 1.00 0.00 H new ATOM 0 HE1 HIS A 99 3.679 -8.887 15.819 1.00 0.00 H new ATOM 0 HE2 HIS A 99 1.412 -8.268 14.857 1.00 0.00 H new TER 1697 HIS A 99