USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 715 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 69 GLN : amide:sc= -3.27 X(o=-14,f=-14!) USER MOD Set 1.2: A 71 MET CE :methyl -143:sc= -10.7! (180deg=-11.5!) USER MOD Single : A 19 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00444) USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= 1.23 (180deg=1.18) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -83:sc= -1.77 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0513 USER MOD Single : A 46 THR OG1 : rot 157:sc= 1.21 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.911 F(o=-2.3,f=-0.91) USER MOD Single : A 52 MET CE :methyl 162:sc= -5.41! (180deg=-6.92!) USER MOD Single : A 53 MET CE :methyl 154:sc= -1.06 (180deg=-2.13!) USER MOD Single : A 54 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-2) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -76:sc= 0.171 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.48 K(o=-1.5,f=-3.3!) USER MOD Single : A 72 SER OG : rot 180:sc= -1.72 USER MOD Single : A 74 ASN :FLIP amide:sc= -7.87! C(o=-11!,f=-7.9!) USER MOD Single : A 76 THR OG1 : rot 77:sc= 1.2 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -150:sc= -0.054 USER MOD Single : A 86 CYS SG : rot 58:sc= -0.978 USER MOD Single : A 87 GLN : amide:sc= -5.62! C(o=-5.6!,f=-11!) USER MOD Single : A 88 SER OG : rot -73:sc= 1.09 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -0.196 X(o=-0.2,f=-0.22) USER MOD Single : A 96 GLN :FLIP amide:sc= -1.26 F(o=-2.3,f=-1.3) USER MOD Single : A 97 SER OG : rot -1:sc= 1.22 USER MOD Single : A 100 LYS NZ :NH3+ 141:sc= 0.858 (180deg=-0.338) USER MOD Single : A 102 ASN :FLIP amide:sc= 0.569 F(o=-0.065,f=0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -2.981 -7.443 -9.918 1.00 0.00 N ATOM 2 CA GLU A 17 -3.209 -6.067 -10.342 1.00 0.00 C ATOM 3 C GLU A 17 -2.086 -5.145 -9.871 1.00 0.00 C ATOM 4 O GLU A 17 -2.168 -4.551 -8.795 1.00 0.00 O ATOM 5 CB GLU A 17 -4.555 -5.565 -9.816 1.00 0.00 C ATOM 6 CG GLU A 17 -5.646 -5.531 -10.873 1.00 0.00 C ATOM 7 CD GLU A 17 -6.886 -4.793 -10.410 1.00 0.00 C ATOM 8 OE1 GLU A 17 -6.741 -3.707 -9.808 1.00 0.00 O ATOM 9 OE2 GLU A 17 -8.002 -5.300 -10.646 1.00 0.00 O ATOM 0 HA GLU A 17 -3.223 -6.053 -11.432 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.876 -6.205 -8.994 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.425 -4.563 -9.407 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.259 -5.054 -11.773 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.916 -6.552 -11.144 1.00 0.00 H new ATOM 16 N PHE A 18 -1.045 -5.022 -10.690 1.00 0.00 N ATOM 17 CA PHE A 18 0.087 -4.161 -10.363 1.00 0.00 C ATOM 18 C PHE A 18 -0.301 -2.697 -10.548 1.00 0.00 C ATOM 19 O PHE A 18 -1.130 -2.374 -11.399 1.00 0.00 O ATOM 20 CB PHE A 18 1.289 -4.506 -11.245 1.00 0.00 C ATOM 21 CG PHE A 18 2.301 -5.378 -10.560 1.00 0.00 C ATOM 22 CD1 PHE A 18 2.927 -4.954 -9.399 1.00 0.00 C ATOM 23 CD2 PHE A 18 2.627 -6.623 -11.075 1.00 0.00 C ATOM 24 CE1 PHE A 18 3.860 -5.753 -8.765 1.00 0.00 C ATOM 25 CE2 PHE A 18 3.558 -7.427 -10.446 1.00 0.00 C ATOM 26 CZ PHE A 18 4.176 -6.991 -9.289 1.00 0.00 C ATOM 0 H PHE A 18 -0.962 -5.507 -11.584 1.00 0.00 H new ATOM 0 HA PHE A 18 0.363 -4.324 -9.321 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.937 -5.009 -12.145 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.773 -3.583 -11.564 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.683 -3.987 -8.984 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.147 -6.969 -11.979 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.341 -5.410 -7.861 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.803 -8.395 -10.858 1.00 0.00 H new ATOM 0 HZ PHE A 18 4.905 -7.617 -8.796 1.00 0.00 H new ATOM 36 N LYS A 19 0.279 -1.814 -9.741 1.00 0.00 N ATOM 37 CA LYS A 19 -0.045 -0.396 -9.831 1.00 0.00 C ATOM 38 C LYS A 19 1.148 0.500 -9.504 1.00 0.00 C ATOM 39 O LYS A 19 1.639 0.506 -8.377 1.00 0.00 O ATOM 40 CB LYS A 19 -1.199 -0.073 -8.877 1.00 0.00 C ATOM 41 CG LYS A 19 -2.534 0.110 -9.576 1.00 0.00 C ATOM 42 CD LYS A 19 -3.590 -0.836 -9.024 1.00 0.00 C ATOM 43 CE LYS A 19 -4.890 -0.736 -9.805 1.00 0.00 C ATOM 44 NZ LYS A 19 -4.802 -1.425 -11.122 1.00 0.00 N ATOM 0 H LYS A 19 0.967 -2.052 -9.026 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.332 -0.194 -10.863 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.289 -0.875 -8.145 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.960 0.836 -8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.870 1.140 -9.457 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.412 -0.064 -10.645 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.219 -1.860 -9.063 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.776 -0.604 -7.975 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.699 -1.173 -9.220 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.140 0.313 -9.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.719 -1.363 -11.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.070 -0.970 -11.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.555 -2.425 -10.975 1.00 0.00 H new ATOM 58 N ASP A 20 1.576 1.291 -10.486 1.00 0.00 N ATOM 59 CA ASP A 20 2.675 2.228 -10.285 1.00 0.00 C ATOM 60 C ASP A 20 2.158 3.412 -9.483 1.00 0.00 C ATOM 61 O ASP A 20 1.937 4.498 -10.019 1.00 0.00 O ATOM 62 CB ASP A 20 3.235 2.703 -11.628 1.00 0.00 C ATOM 63 CG ASP A 20 3.739 1.556 -12.482 1.00 0.00 C ATOM 64 OD1 ASP A 20 2.902 0.834 -13.063 1.00 0.00 O ATOM 65 OD2 ASP A 20 4.973 1.378 -12.570 1.00 0.00 O ATOM 0 H ASP A 20 1.179 1.301 -11.425 1.00 0.00 H new ATOM 0 HA ASP A 20 3.482 1.733 -9.744 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.460 3.243 -12.171 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.049 3.406 -11.451 1.00 0.00 H new ATOM 70 N VAL A 21 1.930 3.174 -8.198 1.00 0.00 N ATOM 71 CA VAL A 21 1.398 4.193 -7.310 1.00 0.00 C ATOM 72 C VAL A 21 2.333 5.381 -7.183 1.00 0.00 C ATOM 73 O VAL A 21 3.508 5.232 -6.843 1.00 0.00 O ATOM 74 CB VAL A 21 1.113 3.625 -5.910 1.00 0.00 C ATOM 75 CG1 VAL A 21 0.393 4.653 -5.051 1.00 0.00 C ATOM 76 CG2 VAL A 21 0.300 2.342 -6.015 1.00 0.00 C ATOM 0 H VAL A 21 2.108 2.276 -7.747 1.00 0.00 H new ATOM 0 HA VAL A 21 0.464 4.530 -7.759 1.00 0.00 H new ATOM 0 HB VAL A 21 2.063 3.391 -5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.200 4.232 -4.064 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.015 5.543 -4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.553 4.922 -5.522 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.106 1.951 -5.016 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.647 2.551 -6.513 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.858 1.604 -6.591 1.00 0.00 H new ATOM 86 N PHE A 22 1.795 6.564 -7.440 1.00 0.00 N ATOM 87 CA PHE A 22 2.568 7.785 -7.333 1.00 0.00 C ATOM 88 C PHE A 22 1.998 8.662 -6.232 1.00 0.00 C ATOM 89 O PHE A 22 0.968 9.312 -6.414 1.00 0.00 O ATOM 90 CB PHE A 22 2.560 8.552 -8.658 1.00 0.00 C ATOM 91 CG PHE A 22 3.873 9.208 -9.001 1.00 0.00 C ATOM 92 CD1 PHE A 22 4.891 9.313 -8.062 1.00 0.00 C ATOM 93 CD2 PHE A 22 4.090 9.711 -10.273 1.00 0.00 C ATOM 94 CE1 PHE A 22 6.091 9.903 -8.387 1.00 0.00 C ATOM 95 CE2 PHE A 22 5.295 10.302 -10.603 1.00 0.00 C ATOM 96 CZ PHE A 22 6.295 10.397 -9.658 1.00 0.00 C ATOM 0 H PHE A 22 0.825 6.701 -7.724 1.00 0.00 H new ATOM 0 HA PHE A 22 3.597 7.519 -7.092 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.289 7.866 -9.460 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.784 9.317 -8.617 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.739 8.927 -7.065 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.309 9.641 -11.015 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.873 9.979 -7.646 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.453 10.689 -11.599 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.238 10.858 -9.913 1.00 0.00 H new ATOM 106 N ILE A 23 2.670 8.684 -5.092 1.00 0.00 N ATOM 107 CA ILE A 23 2.220 9.492 -3.973 1.00 0.00 C ATOM 108 C ILE A 23 3.030 10.772 -3.891 1.00 0.00 C ATOM 109 O ILE A 23 4.177 10.772 -3.447 1.00 0.00 O ATOM 110 CB ILE A 23 2.329 8.722 -2.646 1.00 0.00 C ATOM 111 CG1 ILE A 23 1.718 7.329 -2.803 1.00 0.00 C ATOM 112 CG2 ILE A 23 1.648 9.493 -1.524 1.00 0.00 C ATOM 113 CD1 ILE A 23 0.212 7.336 -2.972 1.00 0.00 C ATOM 0 H ILE A 23 3.524 8.154 -4.919 1.00 0.00 H new ATOM 0 HA ILE A 23 1.171 9.737 -4.140 1.00 0.00 H new ATOM 0 HB ILE A 23 3.381 8.612 -2.384 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.169 6.840 -3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.973 6.730 -1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.735 8.933 -0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.126 10.466 -1.409 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.594 9.633 -1.766 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.147 6.312 -3.077 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.250 7.795 -2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.052 7.906 -3.863 1.00 0.00 H new ATOM 125 N GLU A 24 2.419 11.859 -4.333 1.00 0.00 N ATOM 126 CA GLU A 24 3.073 13.160 -4.327 1.00 0.00 C ATOM 127 C GLU A 24 2.607 13.986 -3.136 1.00 0.00 C ATOM 128 O GLU A 24 1.422 14.289 -3.000 1.00 0.00 O ATOM 129 CB GLU A 24 2.784 13.899 -5.635 1.00 0.00 C ATOM 130 CG GLU A 24 3.107 13.083 -6.876 1.00 0.00 C ATOM 131 CD GLU A 24 1.945 13.012 -7.848 1.00 0.00 C ATOM 132 OE1 GLU A 24 1.031 12.193 -7.622 1.00 0.00 O ATOM 133 OE2 GLU A 24 1.950 13.778 -8.835 1.00 0.00 O ATOM 0 H GLU A 24 1.468 11.867 -4.702 1.00 0.00 H new ATOM 0 HA GLU A 24 4.149 13.009 -4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.731 14.181 -5.659 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.362 14.823 -5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.970 13.520 -7.379 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.389 12.073 -6.579 1.00 0.00 H new ATOM 140 N LYS A 25 3.548 14.335 -2.267 1.00 0.00 N ATOM 141 CA LYS A 25 3.236 15.114 -1.076 1.00 0.00 C ATOM 142 C LYS A 25 4.226 16.260 -0.897 1.00 0.00 C ATOM 143 O LYS A 25 5.030 16.543 -1.783 1.00 0.00 O ATOM 144 CB LYS A 25 3.257 14.206 0.158 1.00 0.00 C ATOM 145 CG LYS A 25 4.579 13.478 0.357 1.00 0.00 C ATOM 146 CD LYS A 25 4.370 12.088 0.940 1.00 0.00 C ATOM 147 CE LYS A 25 5.159 11.037 0.174 1.00 0.00 C ATOM 148 NZ LYS A 25 6.625 11.167 0.402 1.00 0.00 N ATOM 0 H LYS A 25 4.533 14.091 -2.365 1.00 0.00 H new ATOM 0 HA LYS A 25 2.240 15.541 -1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.045 14.805 1.043 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.457 13.471 0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.099 13.398 -0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.219 14.059 1.021 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.675 12.082 1.987 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.309 11.838 0.915 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.831 10.043 0.479 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.948 11.130 -0.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.137 10.576 -0.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.908 12.160 0.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.855 10.855 1.367 1.00 0.00 H new ATOM 162 N GLN A 26 4.166 16.910 0.259 1.00 0.00 N ATOM 163 CA GLN A 26 5.063 18.015 0.560 1.00 0.00 C ATOM 164 C GLN A 26 6.202 17.539 1.452 1.00 0.00 C ATOM 165 O GLN A 26 5.981 16.795 2.409 1.00 0.00 O ATOM 166 CB GLN A 26 4.303 19.153 1.242 1.00 0.00 C ATOM 167 CG GLN A 26 3.834 20.235 0.282 1.00 0.00 C ATOM 168 CD GLN A 26 2.783 19.733 -0.689 1.00 0.00 C ATOM 169 OE1 GLN A 26 3.104 19.133 -1.715 1.00 0.00 O ATOM 170 NE2 GLN A 26 1.518 19.977 -0.369 1.00 0.00 N ATOM 0 H GLN A 26 3.504 16.689 1.003 1.00 0.00 H new ATOM 0 HA GLN A 26 5.478 18.387 -0.377 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.438 18.741 1.762 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.944 19.604 1.999 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.428 21.071 0.852 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.689 20.616 -0.277 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.297 20.478 0.492 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.767 19.664 -0.984 1.00 0.00 H new ATOM 179 N LYS A 27 7.419 17.961 1.132 1.00 0.00 N ATOM 180 CA LYS A 27 8.591 17.569 1.908 1.00 0.00 C ATOM 181 C LYS A 27 8.343 17.746 3.399 1.00 0.00 C ATOM 182 O LYS A 27 8.030 18.841 3.868 1.00 0.00 O ATOM 183 CB LYS A 27 9.811 18.370 1.469 1.00 0.00 C ATOM 184 CG LYS A 27 10.381 17.892 0.146 1.00 0.00 C ATOM 185 CD LYS A 27 11.850 17.525 0.270 1.00 0.00 C ATOM 186 CE LYS A 27 12.344 16.785 -0.962 1.00 0.00 C ATOM 187 NZ LYS A 27 13.753 17.133 -1.296 1.00 0.00 N ATOM 0 H LYS A 27 7.621 18.574 0.342 1.00 0.00 H new ATOM 0 HA LYS A 27 8.783 16.512 1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.538 19.422 1.384 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.581 18.302 2.237 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.817 17.027 -0.202 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.263 18.673 -0.605 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.441 18.429 0.414 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.998 16.903 1.153 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.266 15.711 -0.795 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.701 17.023 -1.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.049 16.606 -2.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.824 18.154 -1.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.371 16.882 -0.498 1.00 0.00 H new ATOM 201 N GLY A 28 8.458 16.648 4.131 1.00 0.00 N ATOM 202 CA GLY A 28 8.218 16.669 5.556 1.00 0.00 C ATOM 203 C GLY A 28 6.939 15.936 5.908 1.00 0.00 C ATOM 204 O GLY A 28 6.459 16.015 7.037 1.00 0.00 O ATOM 0 H GLY A 28 8.716 15.735 3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.059 16.209 6.076 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.156 17.701 5.902 1.00 0.00 H new ATOM 208 N GLU A 29 6.387 15.222 4.926 1.00 0.00 N ATOM 209 CA GLU A 29 5.151 14.470 5.127 1.00 0.00 C ATOM 210 C GLU A 29 5.310 13.018 4.684 1.00 0.00 C ATOM 211 O GLU A 29 5.968 12.734 3.685 1.00 0.00 O ATOM 212 CB GLU A 29 4.000 15.121 4.355 1.00 0.00 C ATOM 213 CG GLU A 29 3.973 16.639 4.456 1.00 0.00 C ATOM 214 CD GLU A 29 2.763 17.155 5.210 1.00 0.00 C ATOM 215 OE1 GLU A 29 1.627 16.865 4.779 1.00 0.00 O ATOM 216 OE2 GLU A 29 2.951 17.848 6.232 1.00 0.00 O ATOM 0 H GLU A 29 6.776 15.150 3.986 1.00 0.00 H new ATOM 0 HA GLU A 29 4.924 14.483 6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.073 14.837 3.305 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.055 14.725 4.727 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.880 16.982 4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.980 17.066 3.453 1.00 0.00 H new ATOM 223 N ILE A 30 4.698 12.103 5.434 1.00 0.00 N ATOM 224 CA ILE A 30 4.767 10.688 5.119 1.00 0.00 C ATOM 225 C ILE A 30 3.580 10.258 4.262 1.00 0.00 C ATOM 226 O ILE A 30 2.563 10.947 4.208 1.00 0.00 O ATOM 227 CB ILE A 30 4.800 9.838 6.399 1.00 0.00 C ATOM 228 CG1 ILE A 30 3.529 10.070 7.209 1.00 0.00 C ATOM 229 CG2 ILE A 30 6.035 10.164 7.227 1.00 0.00 C ATOM 230 CD1 ILE A 30 2.839 8.790 7.636 1.00 0.00 C ATOM 0 H ILE A 30 4.149 12.323 6.265 1.00 0.00 H new ATOM 0 HA ILE A 30 5.688 10.527 4.559 1.00 0.00 H new ATOM 0 HB ILE A 30 4.850 8.785 6.122 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.775 10.653 8.096 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.835 10.667 6.617 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.040 9.552 8.129 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.931 9.956 6.642 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.020 11.218 7.504 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.943 9.033 8.208 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.561 8.214 6.753 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.516 8.201 8.255 1.00 0.00 H new ATOM 242 N LEU A 31 3.714 9.114 3.597 1.00 0.00 N ATOM 243 CA LEU A 31 2.650 8.588 2.744 1.00 0.00 C ATOM 244 C LEU A 31 1.304 8.618 3.461 1.00 0.00 C ATOM 245 O LEU A 31 0.320 9.142 2.938 1.00 0.00 O ATOM 246 CB LEU A 31 2.978 7.156 2.315 1.00 0.00 C ATOM 247 CG LEU A 31 2.748 6.850 0.835 1.00 0.00 C ATOM 248 CD1 LEU A 31 3.809 7.528 -0.016 1.00 0.00 C ATOM 249 CD2 LEU A 31 2.748 5.347 0.595 1.00 0.00 C ATOM 0 H LEU A 31 4.551 8.531 3.632 1.00 0.00 H new ATOM 0 HA LEU A 31 2.582 9.223 1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.022 6.953 2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.376 6.469 2.909 1.00 0.00 H new ATOM 0 HG LEU A 31 1.773 7.242 0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.632 7.301 -1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.762 8.606 0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.795 7.164 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.583 5.148 -0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.709 4.930 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.952 4.885 1.179 1.00 0.00 H new ATOM 261 N GLY A 32 1.271 8.054 4.664 1.00 0.00 N ATOM 262 CA GLY A 32 0.043 8.024 5.435 1.00 0.00 C ATOM 263 C GLY A 32 -0.607 6.652 5.457 1.00 0.00 C ATOM 264 O GLY A 32 -1.608 6.449 6.142 1.00 0.00 O ATOM 0 H GLY A 32 2.073 7.617 5.118 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.254 8.337 6.458 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.659 8.747 5.019 1.00 0.00 H new ATOM 268 N VAL A 33 -0.039 5.706 4.710 1.00 0.00 N ATOM 269 CA VAL A 33 -0.580 4.351 4.659 1.00 0.00 C ATOM 270 C VAL A 33 0.120 3.436 5.653 1.00 0.00 C ATOM 271 O VAL A 33 1.347 3.336 5.669 1.00 0.00 O ATOM 272 CB VAL A 33 -0.481 3.729 3.249 1.00 0.00 C ATOM 273 CG1 VAL A 33 -1.733 4.038 2.448 1.00 0.00 C ATOM 274 CG2 VAL A 33 0.763 4.213 2.519 1.00 0.00 C ATOM 0 H VAL A 33 0.791 5.853 4.135 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.634 4.440 4.924 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.398 2.648 3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.649 3.593 1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.603 3.625 2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.847 5.118 2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.805 3.758 1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.727 5.298 2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.650 3.931 3.086 1.00 0.00 H new ATOM 284 N VAL A 34 -0.676 2.769 6.481 1.00 0.00 N ATOM 285 CA VAL A 34 -0.148 1.857 7.483 1.00 0.00 C ATOM 286 C VAL A 34 -0.158 0.423 6.968 1.00 0.00 C ATOM 287 O VAL A 34 -1.192 -0.246 6.996 1.00 0.00 O ATOM 288 CB VAL A 34 -0.966 1.929 8.787 1.00 0.00 C ATOM 289 CG1 VAL A 34 -0.244 1.203 9.912 1.00 0.00 C ATOM 290 CG2 VAL A 34 -1.236 3.379 9.167 1.00 0.00 C ATOM 0 H VAL A 34 -1.693 2.845 6.476 1.00 0.00 H new ATOM 0 HA VAL A 34 0.878 2.162 7.689 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.923 1.434 8.622 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.837 1.265 10.824 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.105 0.157 9.640 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.728 1.667 10.079 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.815 3.412 10.090 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.289 3.899 9.314 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.797 3.866 8.369 1.00 0.00 H new ATOM 300 N ILE A 35 0.991 -0.045 6.492 1.00 0.00 N ATOM 301 CA ILE A 35 1.087 -1.401 5.970 1.00 0.00 C ATOM 302 C ILE A 35 1.649 -2.367 7.006 1.00 0.00 C ATOM 303 O ILE A 35 2.434 -1.980 7.872 1.00 0.00 O ATOM 304 CB ILE A 35 1.948 -1.482 4.690 1.00 0.00 C ATOM 305 CG1 ILE A 35 3.313 -0.811 4.882 1.00 0.00 C ATOM 306 CG2 ILE A 35 1.211 -0.849 3.520 1.00 0.00 C ATOM 307 CD1 ILE A 35 4.229 -1.528 5.850 1.00 0.00 C ATOM 0 H ILE A 35 1.859 0.489 6.457 1.00 0.00 H new ATOM 0 HA ILE A 35 0.066 -1.692 5.721 1.00 0.00 H new ATOM 0 HB ILE A 35 2.124 -2.536 4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.810 -0.741 3.914 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.157 0.208 5.235 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.828 -0.912 2.624 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.273 -1.377 3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.003 0.197 3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.172 -0.987 5.927 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.756 -1.575 6.831 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.419 -2.539 5.490 1.00 0.00 H new ATOM 319 N VAL A 36 1.242 -3.628 6.905 1.00 0.00 N ATOM 320 CA VAL A 36 1.705 -4.661 7.821 1.00 0.00 C ATOM 321 C VAL A 36 2.123 -5.911 7.053 1.00 0.00 C ATOM 322 O VAL A 36 1.750 -6.089 5.896 1.00 0.00 O ATOM 323 CB VAL A 36 0.615 -5.035 8.843 1.00 0.00 C ATOM 324 CG1 VAL A 36 0.383 -3.891 9.817 1.00 0.00 C ATOM 325 CG2 VAL A 36 -0.678 -5.416 8.137 1.00 0.00 C ATOM 0 H VAL A 36 0.590 -3.959 6.194 1.00 0.00 H new ATOM 0 HA VAL A 36 2.564 -4.258 8.357 1.00 0.00 H new ATOM 0 HB VAL A 36 0.958 -5.901 9.409 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.390 -4.173 10.532 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.308 -3.674 10.350 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.064 -3.005 9.268 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.434 -5.676 8.878 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.029 -4.574 7.541 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.498 -6.271 7.486 1.00 0.00 H new ATOM 335 N GLU A 37 2.905 -6.770 7.694 1.00 0.00 N ATOM 336 CA GLU A 37 3.372 -7.995 7.054 1.00 0.00 C ATOM 337 C GLU A 37 2.201 -8.899 6.678 1.00 0.00 C ATOM 338 O GLU A 37 1.474 -9.385 7.545 1.00 0.00 O ATOM 339 CB GLU A 37 4.333 -8.743 7.980 1.00 0.00 C ATOM 340 CG GLU A 37 5.795 -8.404 7.740 1.00 0.00 C ATOM 341 CD GLU A 37 6.355 -9.081 6.502 1.00 0.00 C ATOM 342 OE1 GLU A 37 5.714 -8.988 5.434 1.00 0.00 O ATOM 343 OE2 GLU A 37 7.433 -9.702 6.603 1.00 0.00 O ATOM 0 H GLU A 37 3.229 -6.643 8.653 1.00 0.00 H new ATOM 0 HA GLU A 37 3.898 -7.718 6.140 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.080 -8.513 9.015 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.191 -9.816 7.848 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.902 -7.324 7.639 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.381 -8.702 8.609 1.00 0.00 H new ATOM 350 N SER A 38 2.025 -9.124 5.377 1.00 0.00 N ATOM 351 CA SER A 38 0.944 -9.973 4.884 1.00 0.00 C ATOM 352 C SER A 38 1.053 -11.382 5.461 1.00 0.00 C ATOM 353 O SER A 38 2.152 -11.919 5.606 1.00 0.00 O ATOM 354 CB SER A 38 0.972 -10.030 3.355 1.00 0.00 C ATOM 355 OG SER A 38 2.254 -9.696 2.859 1.00 0.00 O ATOM 0 H SER A 38 2.617 -8.730 4.646 1.00 0.00 H new ATOM 0 HA SER A 38 -0.003 -9.541 5.207 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.698 -11.030 3.020 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.230 -9.343 2.948 1.00 0.00 H new ATOM 0 HG SER A 38 2.342 -8.721 2.811 1.00 0.00 H new ATOM 361 N GLY A 39 -0.090 -11.973 5.791 1.00 0.00 N ATOM 362 CA GLY A 39 -0.098 -13.312 6.354 1.00 0.00 C ATOM 363 C GLY A 39 -0.911 -14.296 5.531 1.00 0.00 C ATOM 364 O GLY A 39 -0.903 -15.495 5.809 1.00 0.00 O ATOM 0 H GLY A 39 -1.011 -11.550 5.679 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.927 -13.673 6.433 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.501 -13.273 7.366 1.00 0.00 H new ATOM 368 N TRP A 40 -1.614 -13.796 4.519 1.00 0.00 N ATOM 369 CA TRP A 40 -2.431 -14.653 3.665 1.00 0.00 C ATOM 370 C TRP A 40 -1.555 -15.484 2.733 1.00 0.00 C ATOM 371 O TRP A 40 -0.329 -15.467 2.841 1.00 0.00 O ATOM 372 CB TRP A 40 -3.419 -13.814 2.850 1.00 0.00 C ATOM 373 CG TRP A 40 -2.784 -12.664 2.131 1.00 0.00 C ATOM 374 CD1 TRP A 40 -1.453 -12.469 1.894 1.00 0.00 C ATOM 375 CD2 TRP A 40 -3.463 -11.545 1.549 1.00 0.00 C ATOM 376 NE1 TRP A 40 -1.263 -11.295 1.204 1.00 0.00 N ATOM 377 CE2 TRP A 40 -2.482 -10.711 0.980 1.00 0.00 C ATOM 378 CE3 TRP A 40 -4.804 -11.169 1.456 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -2.804 -9.523 0.327 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -5.123 -9.991 0.807 1.00 0.00 C ATOM 381 CH2 TRP A 40 -4.126 -9.180 0.250 1.00 0.00 C ATOM 0 H TRP A 40 -1.635 -12.807 4.271 1.00 0.00 H new ATOM 0 HA TRP A 40 -2.993 -15.332 4.307 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -3.914 -14.457 2.122 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -4.193 -13.432 3.516 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -0.665 -13.139 2.203 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -0.362 -10.920 0.907 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -5.579 -11.788 1.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.037 -8.895 -0.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.158 -9.691 0.728 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.407 -8.265 -0.251 1.00 0.00 H new ATOM 392 N GLY A 41 -2.190 -16.216 1.824 1.00 0.00 N ATOM 393 CA GLY A 41 -1.446 -17.046 0.893 1.00 0.00 C ATOM 394 C GLY A 41 -1.911 -16.884 -0.540 1.00 0.00 C ATOM 395 O GLY A 41 -2.147 -17.872 -1.238 1.00 0.00 O ATOM 0 H GLY A 41 -3.204 -16.250 1.715 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.387 -16.796 0.957 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.545 -18.091 1.186 1.00 0.00 H new ATOM 399 N SER A 42 -2.037 -15.639 -0.985 1.00 0.00 N ATOM 400 CA SER A 42 -2.470 -15.357 -2.350 1.00 0.00 C ATOM 401 C SER A 42 -1.302 -14.874 -3.199 1.00 0.00 C ATOM 402 O SER A 42 -1.250 -15.115 -4.405 1.00 0.00 O ATOM 403 CB SER A 42 -3.590 -14.312 -2.349 1.00 0.00 C ATOM 404 OG SER A 42 -3.702 -13.679 -3.612 1.00 0.00 O ATOM 0 H SER A 42 -1.846 -14.810 -0.422 1.00 0.00 H new ATOM 0 HA SER A 42 -2.851 -16.281 -2.784 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.536 -14.789 -2.093 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.393 -13.564 -1.581 1.00 0.00 H new ATOM 0 HG SER A 42 -4.425 -13.018 -3.584 1.00 0.00 H new ATOM 410 N ILE A 43 -0.366 -14.199 -2.552 1.00 0.00 N ATOM 411 CA ILE A 43 0.818 -13.677 -3.226 1.00 0.00 C ATOM 412 C ILE A 43 2.000 -13.624 -2.265 1.00 0.00 C ATOM 413 O ILE A 43 1.841 -13.825 -1.062 1.00 0.00 O ATOM 414 CB ILE A 43 0.590 -12.260 -3.813 1.00 0.00 C ATOM 415 CG1 ILE A 43 -0.887 -11.856 -3.742 1.00 0.00 C ATOM 416 CG2 ILE A 43 1.087 -12.198 -5.250 1.00 0.00 C ATOM 417 CD1 ILE A 43 -1.368 -11.559 -2.339 1.00 0.00 C ATOM 0 H ILE A 43 -0.402 -13.997 -1.553 1.00 0.00 H new ATOM 0 HA ILE A 43 1.029 -14.359 -4.050 1.00 0.00 H new ATOM 0 HB ILE A 43 1.159 -11.552 -3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.044 -10.975 -4.365 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.495 -12.657 -4.163 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.921 -11.198 -5.650 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.152 -12.427 -5.277 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.544 -12.925 -5.854 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.421 -11.280 -2.367 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.243 -12.445 -1.716 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.786 -10.737 -1.921 1.00 0.00 H new ATOM 429 N LEU A 44 3.186 -13.345 -2.799 1.00 0.00 N ATOM 430 CA LEU A 44 4.389 -13.261 -1.978 1.00 0.00 C ATOM 431 C LEU A 44 4.216 -12.211 -0.879 1.00 0.00 C ATOM 432 O LEU A 44 4.168 -11.014 -1.159 1.00 0.00 O ATOM 433 CB LEU A 44 5.604 -12.915 -2.844 1.00 0.00 C ATOM 434 CG LEU A 44 5.352 -11.870 -3.933 1.00 0.00 C ATOM 435 CD1 LEU A 44 6.517 -10.896 -4.019 1.00 0.00 C ATOM 436 CD2 LEU A 44 5.120 -12.546 -5.278 1.00 0.00 C ATOM 0 H LEU A 44 3.339 -13.174 -3.793 1.00 0.00 H new ATOM 0 HA LEU A 44 4.553 -14.233 -1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.402 -12.555 -2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.965 -13.829 -3.316 1.00 0.00 H new ATOM 0 HG LEU A 44 4.455 -11.309 -3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.320 -10.161 -4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.637 -10.387 -3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.430 -11.441 -4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.942 -11.788 -6.041 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.999 -13.132 -5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.253 -13.203 -5.210 1.00 0.00 H new ATOM 448 N PRO A 45 4.110 -12.646 0.390 1.00 0.00 N ATOM 449 CA PRO A 45 3.930 -11.733 1.524 1.00 0.00 C ATOM 450 C PRO A 45 4.944 -10.592 1.524 1.00 0.00 C ATOM 451 O PRO A 45 6.150 -10.817 1.426 1.00 0.00 O ATOM 452 CB PRO A 45 4.136 -12.634 2.742 1.00 0.00 C ATOM 453 CG PRO A 45 3.754 -13.993 2.272 1.00 0.00 C ATOM 454 CD PRO A 45 4.149 -14.059 0.822 1.00 0.00 C ATOM 0 HA PRO A 45 2.957 -11.243 1.499 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.171 -12.609 3.083 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.516 -12.316 3.580 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.264 -14.763 2.850 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.684 -14.161 2.392 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.142 -14.490 0.696 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.458 -14.674 0.245 1.00 0.00 H new ATOM 462 N THR A 46 4.441 -9.366 1.636 1.00 0.00 N ATOM 463 CA THR A 46 5.295 -8.184 1.651 1.00 0.00 C ATOM 464 C THR A 46 4.767 -7.144 2.634 1.00 0.00 C ATOM 465 O THR A 46 5.352 -6.921 3.694 1.00 0.00 O ATOM 466 CB THR A 46 5.375 -7.574 0.253 1.00 0.00 C ATOM 467 OG1 THR A 46 4.081 -7.251 -0.224 1.00 0.00 O ATOM 468 CG2 THR A 46 6.022 -8.485 -0.763 1.00 0.00 C ATOM 0 H THR A 46 3.444 -9.166 1.718 1.00 0.00 H new ATOM 0 HA THR A 46 6.291 -8.491 1.970 1.00 0.00 H new ATOM 0 HB THR A 46 5.993 -6.683 0.361 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.149 -6.552 -0.907 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.046 -7.989 -1.733 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.040 -8.716 -0.448 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.448 -9.408 -0.842 1.00 0.00 H new ATOM 476 N VAL A 47 3.659 -6.504 2.267 1.00 0.00 N ATOM 477 CA VAL A 47 3.050 -5.479 3.108 1.00 0.00 C ATOM 478 C VAL A 47 1.579 -5.281 2.757 1.00 0.00 C ATOM 479 O VAL A 47 1.188 -5.378 1.594 1.00 0.00 O ATOM 480 CB VAL A 47 3.785 -4.131 2.977 1.00 0.00 C ATOM 481 CG1 VAL A 47 4.860 -4.011 4.043 1.00 0.00 C ATOM 482 CG2 VAL A 47 4.384 -3.970 1.590 1.00 0.00 C ATOM 0 H VAL A 47 3.165 -6.678 1.392 1.00 0.00 H new ATOM 0 HA VAL A 47 3.131 -5.828 4.137 1.00 0.00 H new ATOM 0 HB VAL A 47 3.060 -3.331 3.123 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.371 -3.054 3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.402 -4.072 5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.580 -4.821 3.927 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.897 -3.010 1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.095 -4.775 1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.590 -4.009 0.844 1.00 0.00 H new ATOM 492 N ILE A 48 0.769 -5.003 3.772 1.00 0.00 N ATOM 493 CA ILE A 48 -0.661 -4.788 3.575 1.00 0.00 C ATOM 494 C ILE A 48 -1.096 -3.443 4.128 1.00 0.00 C ATOM 495 O ILE A 48 -1.073 -3.240 5.339 1.00 0.00 O ATOM 496 CB ILE A 48 -1.535 -5.862 4.271 1.00 0.00 C ATOM 497 CG1 ILE A 48 -0.742 -7.120 4.631 1.00 0.00 C ATOM 498 CG2 ILE A 48 -2.723 -6.214 3.399 1.00 0.00 C ATOM 499 CD1 ILE A 48 -0.969 -7.558 6.062 1.00 0.00 C ATOM 0 H ILE A 48 1.078 -4.921 4.741 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.808 -4.840 2.496 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.889 -5.433 5.208 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.025 -7.929 3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.321 -6.933 4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.330 -6.969 3.898 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.325 -5.322 3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.371 -6.605 2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.383 -8.455 6.265 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.661 -6.762 6.739 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.027 -7.774 6.213 1.00 0.00 H new ATOM 511 N ILE A 49 -1.532 -2.545 3.250 1.00 0.00 N ATOM 512 CA ILE A 49 -2.014 -1.240 3.682 1.00 0.00 C ATOM 513 C ILE A 49 -3.226 -1.427 4.588 1.00 0.00 C ATOM 514 O ILE A 49 -4.363 -1.191 4.185 1.00 0.00 O ATOM 515 CB ILE A 49 -2.402 -0.357 2.481 1.00 0.00 C ATOM 516 CG1 ILE A 49 -1.184 -0.115 1.588 1.00 0.00 C ATOM 517 CG2 ILE A 49 -2.989 0.969 2.951 1.00 0.00 C ATOM 518 CD1 ILE A 49 -1.544 0.259 0.168 1.00 0.00 C ATOM 0 H ILE A 49 -1.561 -2.696 2.242 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.210 -0.740 4.223 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.164 -0.879 1.902 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.577 0.679 2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.569 -1.015 1.574 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.256 1.576 2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.880 0.781 3.550 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.252 1.500 3.553 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.633 0.416 -0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.126 -0.545 -0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.134 1.176 0.172 1.00 0.00 H new ATOM 530 N ALA A 50 -2.970 -1.879 5.807 1.00 0.00 N ATOM 531 CA ALA A 50 -4.033 -2.122 6.763 1.00 0.00 C ATOM 532 C ALA A 50 -4.840 -0.851 7.011 1.00 0.00 C ATOM 533 O ALA A 50 -6.033 -0.910 7.312 1.00 0.00 O ATOM 534 CB ALA A 50 -3.456 -2.657 8.065 1.00 0.00 C ATOM 0 H ALA A 50 -2.033 -2.084 6.155 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.707 -2.872 6.348 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.264 -2.836 8.775 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.929 -3.591 7.873 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.761 -1.928 8.482 1.00 0.00 H new ATOM 540 N ASN A 51 -4.179 0.297 6.872 1.00 0.00 N ATOM 541 CA ASN A 51 -4.832 1.586 7.076 1.00 0.00 C ATOM 542 C ASN A 51 -4.242 2.653 6.166 1.00 0.00 C ATOM 543 O ASN A 51 -3.371 2.375 5.342 1.00 0.00 O ATOM 544 CB ASN A 51 -4.699 2.031 8.536 1.00 0.00 C ATOM 545 CG ASN A 51 -5.405 1.098 9.493 1.00 0.00 C ATOM 546 OD1 ASN A 51 -6.639 0.756 9.163 1.00 0.00 O flip ATOM 547 ND2 ASN A 51 -4.847 0.691 10.511 1.00 0.00 N flip ATOM 0 H ASN A 51 -3.193 0.359 6.619 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.887 1.462 6.830 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.643 2.087 8.801 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.108 3.035 8.645 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.893 0.984 10.722 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.338 0.060 11.144 1.00 0.00 H new ATOM 554 N MET A 52 -4.733 3.877 6.323 1.00 0.00 N ATOM 555 CA MET A 52 -4.265 4.996 5.520 1.00 0.00 C ATOM 556 C MET A 52 -4.865 6.310 6.015 1.00 0.00 C ATOM 557 O MET A 52 -6.014 6.353 6.453 1.00 0.00 O ATOM 558 CB MET A 52 -4.614 4.762 4.047 1.00 0.00 C ATOM 559 CG MET A 52 -6.054 5.112 3.686 1.00 0.00 C ATOM 560 SD MET A 52 -6.347 5.098 1.908 1.00 0.00 S ATOM 561 CE MET A 52 -5.363 3.686 1.420 1.00 0.00 C ATOM 0 H MET A 52 -5.456 4.118 7.001 1.00 0.00 H new ATOM 0 HA MET A 52 -3.182 5.067 5.618 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.941 5.354 3.427 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.434 3.715 3.804 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.728 4.403 4.167 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.294 6.099 4.082 1.00 0.00 H new ATOM 0 HE1 MET A 52 -5.677 3.347 0.433 1.00 0.00 H new ATOM 0 HE2 MET A 52 -4.311 3.969 1.389 1.00 0.00 H new ATOM 0 HE3 MET A 52 -5.501 2.880 2.141 1.00 0.00 H new ATOM 571 N MET A 53 -4.080 7.380 5.945 1.00 0.00 N ATOM 572 CA MET A 53 -4.537 8.692 6.387 1.00 0.00 C ATOM 573 C MET A 53 -5.669 9.202 5.502 1.00 0.00 C ATOM 574 O MET A 53 -5.524 9.296 4.283 1.00 0.00 O ATOM 575 CB MET A 53 -3.377 9.690 6.377 1.00 0.00 C ATOM 576 CG MET A 53 -3.338 10.588 7.602 1.00 0.00 C ATOM 577 SD MET A 53 -2.875 9.701 9.101 1.00 0.00 S ATOM 578 CE MET A 53 -1.376 8.883 8.564 1.00 0.00 C ATOM 0 H MET A 53 -3.125 7.364 5.587 1.00 0.00 H new ATOM 0 HA MET A 53 -4.913 8.593 7.405 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.437 9.142 6.308 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.450 10.311 5.484 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.629 11.398 7.431 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.317 11.045 7.743 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.738 8.691 9.426 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.629 7.939 8.082 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.847 9.521 7.856 1.00 0.00 H new ATOM 588 N HIS A 54 -6.798 9.530 6.123 1.00 0.00 N ATOM 589 CA HIS A 54 -7.956 10.031 5.391 1.00 0.00 C ATOM 590 C HIS A 54 -7.618 11.330 4.667 1.00 0.00 C ATOM 591 O HIS A 54 -7.813 12.420 5.202 1.00 0.00 O ATOM 592 CB HIS A 54 -9.131 10.256 6.343 1.00 0.00 C ATOM 593 CG HIS A 54 -8.828 11.212 7.454 1.00 0.00 C ATOM 594 ND1 HIS A 54 -8.138 10.848 8.592 1.00 0.00 N ATOM 595 CD2 HIS A 54 -9.125 12.525 7.599 1.00 0.00 C ATOM 596 CE1 HIS A 54 -8.024 11.896 9.389 1.00 0.00 C ATOM 597 NE2 HIS A 54 -8.613 12.925 8.809 1.00 0.00 N ATOM 0 H HIS A 54 -6.935 9.458 7.131 1.00 0.00 H new ATOM 0 HA HIS A 54 -8.238 9.283 4.650 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.982 10.631 5.774 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -9.430 9.299 6.770 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.664 13.142 6.895 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -7.533 11.908 10.351 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -8.678 13.866 9.197 1.00 0.00 H new ATOM 606 N GLY A 55 -7.108 11.205 3.445 1.00 0.00 N ATOM 607 CA GLY A 55 -6.748 12.377 2.668 1.00 0.00 C ATOM 608 C GLY A 55 -5.248 12.530 2.504 1.00 0.00 C ATOM 609 O GLY A 55 -4.785 13.308 1.669 1.00 0.00 O ATOM 0 H GLY A 55 -6.938 10.313 2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.213 12.313 1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.149 13.267 3.153 1.00 0.00 H new ATOM 613 N GLY A 56 -4.484 11.788 3.303 1.00 0.00 N ATOM 614 CA GLY A 56 -3.038 11.863 3.224 1.00 0.00 C ATOM 615 C GLY A 56 -2.512 11.557 1.833 1.00 0.00 C ATOM 616 O GLY A 56 -3.285 11.215 0.939 1.00 0.00 O ATOM 0 H GLY A 56 -4.842 11.137 4.002 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.713 12.860 3.520 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.602 11.162 3.936 1.00 0.00 H new ATOM 620 N PRO A 57 -1.193 11.679 1.620 1.00 0.00 N ATOM 621 CA PRO A 57 -0.572 11.414 0.316 1.00 0.00 C ATOM 622 C PRO A 57 -0.991 10.074 -0.279 1.00 0.00 C ATOM 623 O PRO A 57 -1.347 9.991 -1.454 1.00 0.00 O ATOM 624 CB PRO A 57 0.922 11.411 0.636 1.00 0.00 C ATOM 625 CG PRO A 57 1.050 12.302 1.822 1.00 0.00 C ATOM 626 CD PRO A 57 -0.199 12.089 2.631 1.00 0.00 C ATOM 0 HA PRO A 57 -0.867 12.152 -0.430 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.279 10.405 0.855 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.509 11.782 -0.204 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.939 12.055 2.403 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.147 13.345 1.519 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.059 11.321 3.392 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.503 12.999 3.148 1.00 0.00 H new ATOM 634 N ALA A 58 -0.941 9.024 0.535 1.00 0.00 N ATOM 635 CA ALA A 58 -1.306 7.691 0.083 1.00 0.00 C ATOM 636 C ALA A 58 -2.733 7.655 -0.442 1.00 0.00 C ATOM 637 O ALA A 58 -2.991 7.149 -1.535 1.00 0.00 O ATOM 638 CB ALA A 58 -1.144 6.688 1.211 1.00 0.00 C ATOM 0 H ALA A 58 -0.651 9.073 1.512 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.636 7.423 -0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.421 5.695 0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.106 6.678 1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.789 6.970 2.044 1.00 0.00 H new ATOM 644 N GLU A 59 -3.660 8.197 0.339 1.00 0.00 N ATOM 645 CA GLU A 59 -5.058 8.226 -0.055 1.00 0.00 C ATOM 646 C GLU A 59 -5.293 9.265 -1.145 1.00 0.00 C ATOM 647 O GLU A 59 -6.207 9.138 -1.958 1.00 0.00 O ATOM 648 CB GLU A 59 -5.943 8.523 1.155 1.00 0.00 C ATOM 649 CG GLU A 59 -7.422 8.534 0.826 1.00 0.00 C ATOM 650 CD GLU A 59 -8.299 8.470 2.062 1.00 0.00 C ATOM 651 OE1 GLU A 59 -8.180 7.488 2.824 1.00 0.00 O ATOM 652 OE2 GLU A 59 -9.104 9.401 2.268 1.00 0.00 O ATOM 0 H GLU A 59 -3.467 8.621 1.246 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.320 7.246 -0.453 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.755 7.776 1.926 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.663 9.490 1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.658 9.438 0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.652 7.688 0.179 1.00 0.00 H new ATOM 659 N LYS A 60 -4.454 10.292 -1.150 1.00 0.00 N ATOM 660 CA LYS A 60 -4.551 11.363 -2.131 1.00 0.00 C ATOM 661 C LYS A 60 -4.447 10.805 -3.546 1.00 0.00 C ATOM 662 O LYS A 60 -5.271 11.113 -4.408 1.00 0.00 O ATOM 663 CB LYS A 60 -3.454 12.404 -1.892 1.00 0.00 C ATOM 664 CG LYS A 60 -3.975 13.721 -1.336 1.00 0.00 C ATOM 665 CD LYS A 60 -3.739 14.871 -2.303 1.00 0.00 C ATOM 666 CE LYS A 60 -2.521 15.689 -1.909 1.00 0.00 C ATOM 667 NZ LYS A 60 -1.769 16.175 -3.098 1.00 0.00 N ATOM 0 H LYS A 60 -3.693 10.406 -0.480 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.523 11.844 -2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.719 11.993 -1.200 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.936 12.596 -2.831 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.041 13.632 -1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.483 13.936 -0.387 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.604 14.478 -3.311 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.619 15.514 -2.326 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.836 16.541 -1.306 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.863 15.083 -1.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.946 16.728 -2.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.446 15.362 -3.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.389 16.774 -3.680 1.00 0.00 H new ATOM 681 N SER A 61 -3.437 9.970 -3.774 1.00 0.00 N ATOM 682 CA SER A 61 -3.231 9.354 -5.078 1.00 0.00 C ATOM 683 C SER A 61 -4.511 8.684 -5.560 1.00 0.00 C ATOM 684 O SER A 61 -4.921 8.853 -6.707 1.00 0.00 O ATOM 685 CB SER A 61 -2.101 8.327 -5.006 1.00 0.00 C ATOM 686 OG SER A 61 -2.563 7.090 -4.493 1.00 0.00 O ATOM 0 H SER A 61 -2.748 9.705 -3.070 1.00 0.00 H new ATOM 0 HA SER A 61 -2.956 10.135 -5.787 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.679 8.176 -6.000 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.299 8.709 -4.374 1.00 0.00 H new ATOM 0 HG SER A 61 -2.685 7.163 -3.523 1.00 0.00 H new ATOM 692 N GLY A 62 -5.137 7.921 -4.672 1.00 0.00 N ATOM 693 CA GLY A 62 -6.362 7.230 -5.022 1.00 0.00 C ATOM 694 C GLY A 62 -6.103 5.799 -5.439 1.00 0.00 C ATOM 695 O GLY A 62 -6.983 4.943 -5.339 1.00 0.00 O ATOM 0 H GLY A 62 -4.817 7.769 -3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.042 7.243 -4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.859 7.761 -5.834 1.00 0.00 H new ATOM 699 N LYS A 63 -4.886 5.539 -5.903 1.00 0.00 N ATOM 700 CA LYS A 63 -4.500 4.206 -6.333 1.00 0.00 C ATOM 701 C LYS A 63 -4.459 3.252 -5.150 1.00 0.00 C ATOM 702 O LYS A 63 -5.085 2.192 -5.168 1.00 0.00 O ATOM 703 CB LYS A 63 -3.127 4.244 -6.999 1.00 0.00 C ATOM 704 CG LYS A 63 -3.093 5.078 -8.266 1.00 0.00 C ATOM 705 CD LYS A 63 -2.510 6.456 -8.019 1.00 0.00 C ATOM 706 CE LYS A 63 -3.232 7.508 -8.841 1.00 0.00 C ATOM 707 NZ LYS A 63 -2.465 8.781 -8.915 1.00 0.00 N ATOM 0 H LYS A 63 -4.149 6.239 -5.990 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.242 3.852 -7.049 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.400 4.642 -6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.818 3.226 -7.235 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.502 4.564 -9.024 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.103 5.177 -8.663 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.586 6.702 -6.960 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.450 6.457 -8.272 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.401 7.128 -9.848 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.212 7.700 -8.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.993 9.472 -9.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.325 9.158 -7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.540 8.604 -9.356 1.00 0.00 H new ATOM 721 N LEU A 64 -3.707 3.635 -4.125 1.00 0.00 N ATOM 722 CA LEU A 64 -3.571 2.817 -2.934 1.00 0.00 C ATOM 723 C LEU A 64 -4.841 2.840 -2.096 1.00 0.00 C ATOM 724 O LEU A 64 -5.378 3.902 -1.783 1.00 0.00 O ATOM 725 CB LEU A 64 -2.383 3.285 -2.089 1.00 0.00 C ATOM 726 CG LEU A 64 -1.019 2.739 -2.522 1.00 0.00 C ATOM 727 CD1 LEU A 64 0.050 3.115 -1.511 1.00 0.00 C ATOM 728 CD2 LEU A 64 -1.074 1.228 -2.703 1.00 0.00 C ATOM 0 H LEU A 64 -3.182 4.509 -4.098 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.394 1.792 -3.261 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.346 4.374 -2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.559 2.997 -1.053 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.761 3.188 -3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.012 2.719 -1.835 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.112 4.200 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.206 2.696 -0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.094 0.862 -3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.357 0.759 -1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.810 0.980 -3.467 1.00 0.00 H new ATOM 740 N ASN A 65 -5.305 1.654 -1.733 1.00 0.00 N ATOM 741 CA ASN A 65 -6.506 1.501 -0.921 1.00 0.00 C ATOM 742 C ASN A 65 -6.264 0.485 0.188 1.00 0.00 C ATOM 743 O ASN A 65 -5.651 -0.557 -0.045 1.00 0.00 O ATOM 744 CB ASN A 65 -7.686 1.056 -1.788 1.00 0.00 C ATOM 745 CG ASN A 65 -7.302 -0.020 -2.787 1.00 0.00 C ATOM 746 OD1 ASN A 65 -7.315 0.205 -3.995 1.00 0.00 O ATOM 747 ND2 ASN A 65 -6.956 -1.201 -2.282 1.00 0.00 N ATOM 0 H ASN A 65 -4.862 0.772 -1.991 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.745 2.466 -0.474 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.484 0.683 -1.146 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.085 1.918 -2.323 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.688 -1.963 -2.905 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.959 -1.345 -1.272 1.00 0.00 H new ATOM 754 N ILE A 66 -6.742 0.792 1.393 1.00 0.00 N ATOM 755 CA ILE A 66 -6.572 -0.096 2.537 1.00 0.00 C ATOM 756 C ILE A 66 -6.742 -1.563 2.135 1.00 0.00 C ATOM 757 O ILE A 66 -7.848 -2.013 1.836 1.00 0.00 O ATOM 758 CB ILE A 66 -7.561 0.267 3.660 1.00 0.00 C ATOM 759 CG1 ILE A 66 -7.057 1.507 4.394 1.00 0.00 C ATOM 760 CG2 ILE A 66 -7.742 -0.894 4.631 1.00 0.00 C ATOM 761 CD1 ILE A 66 -7.870 1.860 5.612 1.00 0.00 C ATOM 0 H ILE A 66 -7.251 1.651 1.600 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.556 0.037 2.908 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.534 0.478 3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.021 1.346 4.693 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.062 2.353 3.707 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.446 -0.608 5.413 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.128 -1.760 4.094 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.782 -1.145 5.081 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.453 2.751 6.082 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -8.901 2.054 5.317 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.844 1.031 6.319 1.00 0.00 H new ATOM 773 N GLY A 67 -5.632 -2.291 2.118 1.00 0.00 N ATOM 774 CA GLY A 67 -5.661 -3.691 1.739 1.00 0.00 C ATOM 775 C GLY A 67 -4.772 -3.978 0.540 1.00 0.00 C ATOM 776 O GLY A 67 -4.591 -5.132 0.154 1.00 0.00 O ATOM 0 H GLY A 67 -4.708 -1.934 2.361 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.339 -4.301 2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.686 -3.982 1.508 1.00 0.00 H new ATOM 780 N ASP A 68 -4.212 -2.920 -0.046 1.00 0.00 N ATOM 781 CA ASP A 68 -3.336 -3.052 -1.203 1.00 0.00 C ATOM 782 C ASP A 68 -2.013 -3.698 -0.812 1.00 0.00 C ATOM 783 O ASP A 68 -1.276 -3.174 0.024 1.00 0.00 O ATOM 784 CB ASP A 68 -3.107 -1.682 -1.839 1.00 0.00 C ATOM 785 CG ASP A 68 -4.116 -1.389 -2.932 1.00 0.00 C ATOM 786 OD1 ASP A 68 -4.698 -2.350 -3.477 1.00 0.00 O ATOM 787 OD2 ASP A 68 -4.326 -0.198 -3.244 1.00 0.00 O ATOM 0 H ASP A 68 -4.352 -1.959 0.266 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.817 -3.701 -1.934 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.169 -0.911 -1.071 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.100 -1.638 -2.254 1.00 0.00 H new ATOM 792 N GLN A 69 -1.723 -4.850 -1.416 1.00 0.00 N ATOM 793 CA GLN A 69 -0.494 -5.578 -1.122 1.00 0.00 C ATOM 794 C GLN A 69 0.705 -4.927 -1.805 1.00 0.00 C ATOM 795 O GLN A 69 1.157 -5.384 -2.854 1.00 0.00 O ATOM 796 CB GLN A 69 -0.619 -7.035 -1.571 1.00 0.00 C ATOM 797 CG GLN A 69 0.401 -7.960 -0.925 1.00 0.00 C ATOM 798 CD GLN A 69 1.421 -8.488 -1.915 1.00 0.00 C ATOM 799 OE1 GLN A 69 1.923 -7.749 -2.761 1.00 0.00 O ATOM 800 NE2 GLN A 69 1.731 -9.775 -1.813 1.00 0.00 N ATOM 0 H GLN A 69 -2.322 -5.297 -2.110 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.336 -5.548 -0.044 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.622 -7.394 -1.338 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.507 -7.084 -2.654 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.917 -7.425 -0.128 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.118 -8.799 -0.461 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.290 -10.351 -1.096 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.410 -10.188 -2.452 1.00 0.00 H new ATOM 809 N ILE A 70 1.214 -3.860 -1.202 1.00 0.00 N ATOM 810 CA ILE A 70 2.362 -3.143 -1.749 1.00 0.00 C ATOM 811 C ILE A 70 3.541 -4.089 -1.970 1.00 0.00 C ATOM 812 O ILE A 70 3.724 -5.046 -1.219 1.00 0.00 O ATOM 813 CB ILE A 70 2.787 -1.983 -0.826 1.00 0.00 C ATOM 814 CG1 ILE A 70 1.541 -1.238 -0.315 1.00 0.00 C ATOM 815 CG2 ILE A 70 3.737 -1.043 -1.557 1.00 0.00 C ATOM 816 CD1 ILE A 70 1.795 0.209 0.062 1.00 0.00 C ATOM 0 H ILE A 70 0.850 -3.470 -0.332 1.00 0.00 H new ATOM 0 HA ILE A 70 2.059 -2.728 -2.710 1.00 0.00 H new ATOM 0 HB ILE A 70 3.320 -2.386 0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.770 -1.272 -1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.147 -1.765 0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.028 -0.230 -0.892 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.625 -1.593 -1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.239 -0.633 -2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.867 0.662 0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.542 0.253 0.855 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.159 0.754 -0.809 1.00 0.00 H new ATOM 828 N MET A 71 4.328 -3.836 -3.016 1.00 0.00 N ATOM 829 CA MET A 71 5.468 -4.692 -3.334 1.00 0.00 C ATOM 830 C MET A 71 6.798 -3.953 -3.203 1.00 0.00 C ATOM 831 O MET A 71 7.787 -4.526 -2.746 1.00 0.00 O ATOM 832 CB MET A 71 5.329 -5.245 -4.753 1.00 0.00 C ATOM 833 CG MET A 71 5.877 -6.652 -4.914 1.00 0.00 C ATOM 834 SD MET A 71 5.020 -7.855 -3.879 1.00 0.00 S ATOM 835 CE MET A 71 4.170 -8.822 -5.122 1.00 0.00 C ATOM 0 H MET A 71 4.197 -3.050 -3.653 1.00 0.00 H new ATOM 0 HA MET A 71 5.469 -5.510 -2.613 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.276 -5.240 -5.034 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.847 -4.581 -5.445 1.00 0.00 H new ATOM 0 HG2 MET A 71 5.794 -6.953 -5.958 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.938 -6.655 -4.665 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.188 -9.112 -4.749 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.053 -8.228 -6.028 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.751 -9.716 -5.347 1.00 0.00 H new ATOM 845 N SER A 72 6.828 -2.689 -3.614 1.00 0.00 N ATOM 846 CA SER A 72 8.057 -1.904 -3.545 1.00 0.00 C ATOM 847 C SER A 72 7.752 -0.418 -3.435 1.00 0.00 C ATOM 848 O SER A 72 6.630 0.011 -3.692 1.00 0.00 O ATOM 849 CB SER A 72 8.919 -2.169 -4.780 1.00 0.00 C ATOM 850 OG SER A 72 10.099 -1.386 -4.758 1.00 0.00 O ATOM 0 H SER A 72 6.024 -2.190 -3.995 1.00 0.00 H new ATOM 0 HA SER A 72 8.603 -2.208 -2.652 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.181 -3.226 -4.824 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.347 -1.945 -5.681 1.00 0.00 H new ATOM 0 HG SER A 72 10.633 -1.576 -5.558 1.00 0.00 H new ATOM 856 N ILE A 73 8.758 0.362 -3.049 1.00 0.00 N ATOM 857 CA ILE A 73 8.590 1.800 -2.898 1.00 0.00 C ATOM 858 C ILE A 73 9.687 2.575 -3.625 1.00 0.00 C ATOM 859 O ILE A 73 10.856 2.526 -3.244 1.00 0.00 O ATOM 860 CB ILE A 73 8.574 2.203 -1.417 1.00 0.00 C ATOM 861 CG1 ILE A 73 7.473 1.437 -0.688 1.00 0.00 C ATOM 862 CG2 ILE A 73 8.370 3.703 -1.270 1.00 0.00 C ATOM 863 CD1 ILE A 73 7.796 1.159 0.756 1.00 0.00 C ATOM 0 H ILE A 73 9.695 0.021 -2.836 1.00 0.00 H new ATOM 0 HA ILE A 73 7.630 2.054 -3.347 1.00 0.00 H new ATOM 0 HB ILE A 73 9.536 1.950 -0.972 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.546 2.008 -0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.296 0.492 -1.202 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.362 3.967 -0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.182 4.231 -1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.420 3.987 -1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.972 0.612 1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.706 0.562 0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.944 2.101 1.284 1.00 0.00 H new ATOM 875 N ASN A 74 9.292 3.293 -4.674 1.00 0.00 N ATOM 876 CA ASN A 74 10.220 4.092 -5.477 1.00 0.00 C ATOM 877 C ASN A 74 11.525 3.348 -5.758 1.00 0.00 C ATOM 878 O ASN A 74 12.586 3.961 -5.869 1.00 0.00 O ATOM 879 CB ASN A 74 10.521 5.427 -4.793 1.00 0.00 C ATOM 880 CG ASN A 74 10.912 5.262 -3.343 1.00 0.00 C ATOM 881 OD1 ASN A 74 10.034 5.684 -2.446 1.00 0.00 O flip ATOM 882 ND2 ASN A 74 11.993 4.760 -3.031 1.00 0.00 N flip ATOM 0 H ASN A 74 8.324 3.339 -4.992 1.00 0.00 H new ATOM 0 HA ASN A 74 9.729 4.280 -6.432 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.326 5.931 -5.327 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.643 6.070 -4.858 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.639 4.449 -3.756 1.00 0.00 H new ATOM 0 HD22 ASN A 74 12.242 4.656 -2.047 1.00 0.00 H new ATOM 889 N GLY A 75 11.440 2.026 -5.884 1.00 0.00 N ATOM 890 CA GLY A 75 12.624 1.234 -6.165 1.00 0.00 C ATOM 891 C GLY A 75 13.073 0.383 -4.989 1.00 0.00 C ATOM 892 O GLY A 75 14.087 -0.308 -5.074 1.00 0.00 O ATOM 0 H GLY A 75 10.576 1.491 -5.797 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.424 0.586 -7.018 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.437 1.900 -6.454 1.00 0.00 H new ATOM 896 N THR A 76 12.321 0.424 -3.894 1.00 0.00 N ATOM 897 CA THR A 76 12.659 -0.357 -2.713 1.00 0.00 C ATOM 898 C THR A 76 11.778 -1.595 -2.617 1.00 0.00 C ATOM 899 O THR A 76 10.658 -1.536 -2.110 1.00 0.00 O ATOM 900 CB THR A 76 12.505 0.494 -1.456 1.00 0.00 C ATOM 901 OG1 THR A 76 12.963 1.815 -1.685 1.00 0.00 O ATOM 902 CG2 THR A 76 13.259 -0.054 -0.263 1.00 0.00 C ATOM 0 H THR A 76 11.476 0.988 -3.801 1.00 0.00 H new ATOM 0 HA THR A 76 13.697 -0.677 -2.799 1.00 0.00 H new ATOM 0 HB THR A 76 11.439 0.479 -1.228 1.00 0.00 H new ATOM 0 HG1 THR A 76 12.291 2.310 -2.199 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.106 0.600 0.596 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.892 -1.053 -0.028 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.323 -0.103 -0.496 1.00 0.00 H new ATOM 910 N SER A 77 12.288 -2.717 -3.114 1.00 0.00 N ATOM 911 CA SER A 77 11.545 -3.970 -3.091 1.00 0.00 C ATOM 912 C SER A 77 11.229 -4.394 -1.661 1.00 0.00 C ATOM 913 O SER A 77 12.127 -4.717 -0.885 1.00 0.00 O ATOM 914 CB SER A 77 12.333 -5.070 -3.805 1.00 0.00 C ATOM 915 OG SER A 77 11.754 -5.380 -5.061 1.00 0.00 O ATOM 0 H SER A 77 13.213 -2.783 -3.538 1.00 0.00 H new ATOM 0 HA SER A 77 10.603 -3.812 -3.616 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.365 -4.749 -3.946 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.360 -5.965 -3.183 1.00 0.00 H new ATOM 0 HG SER A 77 12.277 -6.084 -5.498 1.00 0.00 H new ATOM 921 N LEU A 78 9.946 -4.391 -1.326 1.00 0.00 N ATOM 922 CA LEU A 78 9.499 -4.776 0.007 1.00 0.00 C ATOM 923 C LEU A 78 9.390 -6.293 0.139 1.00 0.00 C ATOM 924 O LEU A 78 9.243 -6.821 1.241 1.00 0.00 O ATOM 925 CB LEU A 78 8.151 -4.132 0.314 1.00 0.00 C ATOM 926 CG LEU A 78 8.200 -2.625 0.552 1.00 0.00 C ATOM 927 CD1 LEU A 78 6.795 -2.063 0.681 1.00 0.00 C ATOM 928 CD2 LEU A 78 9.021 -2.316 1.793 1.00 0.00 C ATOM 0 H LEU A 78 9.193 -4.125 -1.961 1.00 0.00 H new ATOM 0 HA LEU A 78 10.241 -4.424 0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.471 -4.333 -0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.728 -4.611 1.197 1.00 0.00 H new ATOM 0 HG LEU A 78 8.679 -2.150 -0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.847 -0.988 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.239 -2.259 -0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.289 -2.538 1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.048 -1.238 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.568 -2.799 2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.036 -2.689 1.660 1.00 0.00 H new ATOM 940 N VAL A 79 9.460 -6.991 -0.992 1.00 0.00 N ATOM 941 CA VAL A 79 9.366 -8.445 -0.999 1.00 0.00 C ATOM 942 C VAL A 79 10.461 -9.072 -0.143 1.00 0.00 C ATOM 943 O VAL A 79 11.620 -9.146 -0.555 1.00 0.00 O ATOM 944 CB VAL A 79 9.461 -9.010 -2.429 1.00 0.00 C ATOM 945 CG1 VAL A 79 9.190 -10.505 -2.430 1.00 0.00 C ATOM 946 CG2 VAL A 79 8.496 -8.289 -3.362 1.00 0.00 C ATOM 0 H VAL A 79 9.581 -6.572 -1.914 1.00 0.00 H new ATOM 0 HA VAL A 79 8.392 -8.699 -0.581 1.00 0.00 H new ATOM 0 HB VAL A 79 10.474 -8.843 -2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 79 9.261 -10.887 -3.448 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.925 -11.008 -1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.189 -10.694 -2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 79 8.581 -8.705 -4.366 1.00 0.00 H new ATOM 0 HG22 VAL A 79 7.476 -8.418 -3.001 1.00 0.00 H new ATOM 0 HG23 VAL A 79 8.740 -7.227 -3.388 1.00 0.00 H new ATOM 956 N GLY A 80 10.087 -9.524 1.049 1.00 0.00 N ATOM 957 CA GLY A 80 11.049 -10.143 1.943 1.00 0.00 C ATOM 958 C GLY A 80 11.400 -9.262 3.125 1.00 0.00 C ATOM 959 O GLY A 80 11.715 -9.759 4.206 1.00 0.00 O ATOM 0 H GLY A 80 9.135 -9.473 1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.645 -11.088 2.307 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.957 -10.377 1.387 1.00 0.00 H new ATOM 963 N LEU A 81 11.348 -7.948 2.923 1.00 0.00 N ATOM 964 CA LEU A 81 11.665 -7.002 3.989 1.00 0.00 C ATOM 965 C LEU A 81 10.629 -7.073 5.110 1.00 0.00 C ATOM 966 O LEU A 81 9.448 -6.809 4.887 1.00 0.00 O ATOM 967 CB LEU A 81 11.735 -5.571 3.440 1.00 0.00 C ATOM 968 CG LEU A 81 12.273 -5.433 2.013 1.00 0.00 C ATOM 969 CD1 LEU A 81 12.667 -3.991 1.731 1.00 0.00 C ATOM 970 CD2 LEU A 81 13.457 -6.364 1.787 1.00 0.00 C ATOM 0 H LEU A 81 11.091 -7.516 2.036 1.00 0.00 H new ATOM 0 HA LEU A 81 12.639 -7.275 4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.735 -5.139 3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.363 -4.977 4.104 1.00 0.00 H new ATOM 0 HG LEU A 81 11.481 -5.718 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 81 13.047 -3.910 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.795 -3.347 1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.441 -3.681 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.822 -6.248 0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 81 14.254 -6.115 2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 81 13.144 -7.396 1.945 1.00 0.00 H new ATOM 982 N PRO A 82 11.055 -7.429 6.337 1.00 0.00 N ATOM 983 CA PRO A 82 10.148 -7.527 7.486 1.00 0.00 C ATOM 984 C PRO A 82 9.362 -6.240 7.707 1.00 0.00 C ATOM 985 O PRO A 82 9.689 -5.197 7.142 1.00 0.00 O ATOM 986 CB PRO A 82 11.089 -7.787 8.667 1.00 0.00 C ATOM 987 CG PRO A 82 12.307 -8.391 8.057 1.00 0.00 C ATOM 988 CD PRO A 82 12.445 -7.760 6.701 1.00 0.00 C ATOM 0 HA PRO A 82 9.397 -8.304 7.347 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.327 -6.863 9.194 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.635 -8.461 9.394 1.00 0.00 H new ATOM 0 HG2 PRO A 82 13.188 -8.197 8.669 1.00 0.00 H new ATOM 0 HG3 PRO A 82 12.207 -9.473 7.976 1.00 0.00 H new ATOM 0 HD2 PRO A 82 13.075 -6.871 6.733 1.00 0.00 H new ATOM 0 HD3 PRO A 82 12.897 -8.445 5.983 1.00 0.00 H new ATOM 996 N LEU A 83 8.321 -6.318 8.531 1.00 0.00 N ATOM 997 CA LEU A 83 7.487 -5.156 8.825 1.00 0.00 C ATOM 998 C LEU A 83 8.329 -3.987 9.328 1.00 0.00 C ATOM 999 O LEU A 83 8.111 -2.841 8.936 1.00 0.00 O ATOM 1000 CB LEU A 83 6.419 -5.514 9.861 1.00 0.00 C ATOM 1001 CG LEU A 83 5.554 -4.342 10.328 1.00 0.00 C ATOM 1002 CD1 LEU A 83 4.931 -3.631 9.138 1.00 0.00 C ATOM 1003 CD2 LEU A 83 4.479 -4.824 11.289 1.00 0.00 C ATOM 0 H LEU A 83 8.035 -7.173 9.007 1.00 0.00 H new ATOM 0 HA LEU A 83 6.998 -4.853 7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.769 -6.281 9.440 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.909 -5.953 10.730 1.00 0.00 H new ATOM 0 HG LEU A 83 6.191 -3.631 10.855 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.319 -2.800 9.490 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.719 -3.251 8.488 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.307 -4.331 8.582 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.873 -3.977 11.611 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.844 -5.555 10.788 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.948 -5.286 12.158 1.00 0.00 H new ATOM 1015 N SER A 84 9.289 -4.286 10.197 1.00 0.00 N ATOM 1016 CA SER A 84 10.164 -3.256 10.753 1.00 0.00 C ATOM 1017 C SER A 84 10.823 -2.447 9.641 1.00 0.00 C ATOM 1018 O SER A 84 10.895 -1.219 9.710 1.00 0.00 O ATOM 1019 CB SER A 84 11.234 -3.894 11.641 1.00 0.00 C ATOM 1020 OG SER A 84 12.125 -2.916 12.147 1.00 0.00 O ATOM 0 H SER A 84 9.482 -5.230 10.532 1.00 0.00 H new ATOM 0 HA SER A 84 9.556 -2.582 11.357 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.758 -4.420 12.469 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.790 -4.637 11.069 1.00 0.00 H new ATOM 0 HG SER A 84 12.798 -3.348 12.713 1.00 0.00 H new ATOM 1026 N THR A 85 11.297 -3.144 8.614 1.00 0.00 N ATOM 1027 CA THR A 85 11.946 -2.491 7.485 1.00 0.00 C ATOM 1028 C THR A 85 10.942 -1.678 6.675 1.00 0.00 C ATOM 1029 O THR A 85 11.212 -0.538 6.304 1.00 0.00 O ATOM 1030 CB THR A 85 12.620 -3.528 6.589 1.00 0.00 C ATOM 1031 OG1 THR A 85 13.334 -4.474 7.363 1.00 0.00 O ATOM 1032 CG2 THR A 85 13.587 -2.923 5.594 1.00 0.00 C ATOM 0 H THR A 85 11.244 -4.160 8.541 1.00 0.00 H new ATOM 0 HA THR A 85 12.703 -1.812 7.877 1.00 0.00 H new ATOM 0 HB THR A 85 11.808 -4.003 6.038 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.099 -4.806 6.849 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.030 -3.715 4.990 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.054 -2.227 4.946 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.374 -2.391 6.129 1.00 0.00 H new ATOM 1040 N CYS A 86 9.780 -2.268 6.414 1.00 0.00 N ATOM 1041 CA CYS A 86 8.734 -1.592 5.649 1.00 0.00 C ATOM 1042 C CYS A 86 8.354 -0.275 6.311 1.00 0.00 C ATOM 1043 O CYS A 86 8.448 0.786 5.695 1.00 0.00 O ATOM 1044 CB CYS A 86 7.504 -2.491 5.515 1.00 0.00 C ATOM 1045 SG CYS A 86 7.886 -4.206 5.085 1.00 0.00 S ATOM 0 H CYS A 86 9.538 -3.211 6.719 1.00 0.00 H new ATOM 0 HA CYS A 86 9.121 -1.380 4.652 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.953 -2.478 6.456 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.844 -2.075 4.753 1.00 0.00 H new ATOM 0 HG CYS A 86 8.678 -4.712 5.983 1.00 0.00 H new ATOM 1051 N GLN A 87 7.944 -0.338 7.573 1.00 0.00 N ATOM 1052 CA GLN A 87 7.575 0.855 8.312 1.00 0.00 C ATOM 1053 C GLN A 87 8.656 1.917 8.184 1.00 0.00 C ATOM 1054 O GLN A 87 8.393 3.054 7.788 1.00 0.00 O ATOM 1055 CB GLN A 87 7.376 0.496 9.781 1.00 0.00 C ATOM 1056 CG GLN A 87 5.950 0.671 10.246 1.00 0.00 C ATOM 1057 CD GLN A 87 5.117 -0.582 10.075 1.00 0.00 C ATOM 1058 OE1 GLN A 87 5.231 -1.530 10.851 1.00 0.00 O ATOM 1059 NE2 GLN A 87 4.270 -0.590 9.052 1.00 0.00 N ATOM 0 H GLN A 87 7.860 -1.206 8.103 1.00 0.00 H new ATOM 0 HA GLN A 87 6.648 1.254 7.901 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.679 -0.539 9.940 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.030 1.118 10.393 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.949 0.962 11.297 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.489 1.487 9.689 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.209 0.219 8.434 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.680 -1.405 8.884 1.00 0.00 H new ATOM 1068 N SER A 88 9.876 1.526 8.522 1.00 0.00 N ATOM 1069 CA SER A 88 11.025 2.420 8.454 1.00 0.00 C ATOM 1070 C SER A 88 11.120 3.098 7.086 1.00 0.00 C ATOM 1071 O SER A 88 11.402 4.291 6.996 1.00 0.00 O ATOM 1072 CB SER A 88 12.315 1.649 8.746 1.00 0.00 C ATOM 1073 OG SER A 88 12.836 1.055 7.569 1.00 0.00 O ATOM 0 H SER A 88 10.098 0.586 8.849 1.00 0.00 H new ATOM 0 HA SER A 88 10.891 3.195 9.209 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.056 2.324 9.174 1.00 0.00 H new ATOM 0 HB3 SER A 88 12.120 0.877 9.490 1.00 0.00 H new ATOM 0 HG SER A 88 12.282 0.286 7.318 1.00 0.00 H new ATOM 1079 N ILE A 89 10.868 2.333 6.025 1.00 0.00 N ATOM 1080 CA ILE A 89 10.913 2.865 4.676 1.00 0.00 C ATOM 1081 C ILE A 89 9.904 3.992 4.538 1.00 0.00 C ATOM 1082 O ILE A 89 10.209 5.052 3.999 1.00 0.00 O ATOM 1083 CB ILE A 89 10.619 1.760 3.637 1.00 0.00 C ATOM 1084 CG1 ILE A 89 11.794 0.779 3.574 1.00 0.00 C ATOM 1085 CG2 ILE A 89 10.339 2.358 2.264 1.00 0.00 C ATOM 1086 CD1 ILE A 89 11.730 -0.188 2.408 1.00 0.00 C ATOM 0 H ILE A 89 10.631 1.342 6.080 1.00 0.00 H new ATOM 0 HA ILE A 89 11.915 3.250 4.488 1.00 0.00 H new ATOM 0 HB ILE A 89 9.725 1.220 3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.723 1.345 3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.829 0.210 4.503 1.00 0.00 H new ATOM 0 HG21 ILE A 89 10.135 1.557 1.553 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.474 3.018 2.324 1.00 0.00 H new ATOM 0 HG23 ILE A 89 11.207 2.927 1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.597 -0.848 2.435 1.00 0.00 H new ATOM 0 HD12 ILE A 89 10.819 -0.783 2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 89 11.728 0.370 1.472 1.00 0.00 H new ATOM 1098 N ILE A 90 8.703 3.755 5.051 1.00 0.00 N ATOM 1099 CA ILE A 90 7.647 4.750 5.002 1.00 0.00 C ATOM 1100 C ILE A 90 8.070 6.018 5.731 1.00 0.00 C ATOM 1101 O ILE A 90 7.772 7.129 5.292 1.00 0.00 O ATOM 1102 CB ILE A 90 6.349 4.224 5.630 1.00 0.00 C ATOM 1103 CG1 ILE A 90 6.052 2.816 5.107 1.00 0.00 C ATOM 1104 CG2 ILE A 90 5.203 5.182 5.336 1.00 0.00 C ATOM 1105 CD1 ILE A 90 4.630 2.352 5.346 1.00 0.00 C ATOM 0 H ILE A 90 8.439 2.881 5.505 1.00 0.00 H new ATOM 0 HA ILE A 90 7.465 4.973 3.951 1.00 0.00 H new ATOM 0 HB ILE A 90 6.465 4.164 6.712 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.257 2.787 4.037 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.736 2.113 5.581 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.286 4.801 5.785 1.00 0.00 H new ATOM 0 HG22 ILE A 90 5.432 6.162 5.754 1.00 0.00 H new ATOM 0 HG23 ILE A 90 5.070 5.270 4.258 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.503 1.346 4.946 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.425 2.345 6.416 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.937 3.030 4.848 1.00 0.00 H new ATOM 1117 N LYS A 91 8.773 5.843 6.847 1.00 0.00 N ATOM 1118 CA LYS A 91 9.244 6.972 7.636 1.00 0.00 C ATOM 1119 C LYS A 91 10.242 7.801 6.836 1.00 0.00 C ATOM 1120 O LYS A 91 10.143 9.027 6.775 1.00 0.00 O ATOM 1121 CB LYS A 91 9.891 6.488 8.934 1.00 0.00 C ATOM 1122 CG LYS A 91 9.041 6.748 10.167 1.00 0.00 C ATOM 1123 CD LYS A 91 8.154 5.557 10.493 1.00 0.00 C ATOM 1124 CE LYS A 91 8.976 4.304 10.717 1.00 0.00 C ATOM 1125 NZ LYS A 91 8.387 3.430 11.769 1.00 0.00 N ATOM 0 H LYS A 91 9.028 4.930 7.223 1.00 0.00 H new ATOM 0 HA LYS A 91 8.385 7.596 7.884 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.087 5.419 8.856 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.855 6.981 9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.688 6.965 11.017 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.422 7.630 10.004 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.565 5.773 11.385 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.449 5.392 9.678 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.050 3.747 9.783 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.990 4.582 11.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.980 2.585 11.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.340 3.952 12.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.429 3.142 11.485 1.00 0.00 H new ATOM 1139 N GLY A 92 11.201 7.117 6.218 1.00 0.00 N ATOM 1140 CA GLY A 92 12.204 7.797 5.420 1.00 0.00 C ATOM 1141 C GLY A 92 11.603 8.533 4.238 1.00 0.00 C ATOM 1142 O GLY A 92 12.260 9.378 3.629 1.00 0.00 O ATOM 0 H GLY A 92 11.301 6.103 6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 92 12.745 8.505 6.048 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.932 7.070 5.060 1.00 0.00 H new ATOM 1146 N LEU A 93 10.353 8.215 3.914 1.00 0.00 N ATOM 1147 CA LEU A 93 9.665 8.857 2.800 1.00 0.00 C ATOM 1148 C LEU A 93 8.898 10.088 3.267 1.00 0.00 C ATOM 1149 O LEU A 93 7.848 10.424 2.718 1.00 0.00 O ATOM 1150 CB LEU A 93 8.700 7.875 2.135 1.00 0.00 C ATOM 1151 CG LEU A 93 9.353 6.655 1.488 1.00 0.00 C ATOM 1152 CD1 LEU A 93 8.299 5.796 0.812 1.00 0.00 C ATOM 1153 CD2 LEU A 93 10.416 7.086 0.487 1.00 0.00 C ATOM 0 H LEU A 93 9.797 7.517 4.407 1.00 0.00 H new ATOM 0 HA LEU A 93 10.419 9.169 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.986 7.530 2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.132 8.409 1.373 1.00 0.00 H new ATOM 0 HG LEU A 93 9.838 6.064 2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.775 4.929 0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.572 5.462 1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.792 6.380 0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.870 6.204 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.957 7.696 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.183 7.668 0.998 1.00 0.00 H new ATOM 1165 N LYS A 94 9.425 10.754 4.287 1.00 0.00 N ATOM 1166 CA LYS A 94 8.794 11.937 4.832 1.00 0.00 C ATOM 1167 C LYS A 94 9.116 13.167 3.993 1.00 0.00 C ATOM 1168 O LYS A 94 8.271 14.043 3.813 1.00 0.00 O ATOM 1169 CB LYS A 94 9.250 12.159 6.273 1.00 0.00 C ATOM 1170 CG LYS A 94 8.181 12.773 7.159 1.00 0.00 C ATOM 1171 CD LYS A 94 8.472 12.529 8.630 1.00 0.00 C ATOM 1172 CE LYS A 94 7.191 12.362 9.431 1.00 0.00 C ATOM 1173 NZ LYS A 94 7.352 12.817 10.839 1.00 0.00 N ATOM 0 H LYS A 94 10.293 10.488 4.752 1.00 0.00 H new ATOM 0 HA LYS A 94 7.715 11.783 4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.559 11.205 6.699 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.126 12.807 6.273 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.122 13.845 6.971 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.209 12.351 6.904 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.088 11.636 8.737 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.047 13.363 9.031 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.390 12.928 8.956 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.890 11.314 9.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.456 12.686 11.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.099 12.260 11.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.614 13.823 10.851 1.00 0.00 H new ATOM 1187 N ASN A 95 10.344 13.237 3.494 1.00 0.00 N ATOM 1188 CA ASN A 95 10.765 14.377 2.694 1.00 0.00 C ATOM 1189 C ASN A 95 11.162 13.965 1.278 1.00 0.00 C ATOM 1190 O ASN A 95 12.308 14.149 0.865 1.00 0.00 O ATOM 1191 CB ASN A 95 11.929 15.091 3.380 1.00 0.00 C ATOM 1192 CG ASN A 95 13.035 14.135 3.783 1.00 0.00 C ATOM 1193 OD1 ASN A 95 13.991 13.924 3.037 1.00 0.00 O ATOM 1194 ND2 ASN A 95 12.909 13.551 4.969 1.00 0.00 N ATOM 0 H ASN A 95 11.060 12.523 3.628 1.00 0.00 H new ATOM 0 HA ASN A 95 9.916 15.056 2.611 1.00 0.00 H new ATOM 0 HB2 ASN A 95 12.334 15.849 2.709 1.00 0.00 H new ATOM 0 HB3 ASN A 95 11.562 15.612 4.264 1.00 0.00 H new ATOM 0 HD21 ASN A 95 13.622 12.898 5.294 1.00 0.00 H new ATOM 0 HD22 ASN A 95 12.099 13.756 5.555 1.00 0.00 H new ATOM 1201 N GLN A 96 10.206 13.426 0.531 1.00 0.00 N ATOM 1202 CA GLN A 96 10.454 13.009 -0.848 1.00 0.00 C ATOM 1203 C GLN A 96 9.582 13.807 -1.807 1.00 0.00 C ATOM 1204 O GLN A 96 10.028 14.220 -2.876 1.00 0.00 O ATOM 1205 CB GLN A 96 10.174 11.514 -1.035 1.00 0.00 C ATOM 1206 CG GLN A 96 10.389 10.682 0.214 1.00 0.00 C ATOM 1207 CD GLN A 96 11.856 10.427 0.502 1.00 0.00 C ATOM 1208 OE1 GLN A 96 12.362 11.027 1.571 1.00 0.00 O flip ATOM 1209 NE2 GLN A 96 12.525 9.698 -0.230 1.00 0.00 N flip ATOM 0 H GLN A 96 9.252 13.267 0.855 1.00 0.00 H new ATOM 0 HA GLN A 96 11.505 13.198 -1.065 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.144 11.387 -1.370 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.816 11.132 -1.828 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.939 11.191 1.066 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.873 9.728 0.103 1.00 0.00 H new ATOM 0 HE21 GLN A 96 12.094 9.257 -1.042 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.511 9.535 -0.024 1.00 0.00 H new ATOM 1218 N SER A 97 8.328 14.012 -1.409 1.00 0.00 N ATOM 1219 CA SER A 97 7.364 14.757 -2.219 1.00 0.00 C ATOM 1220 C SER A 97 6.793 13.895 -3.347 1.00 0.00 C ATOM 1221 O SER A 97 5.925 14.343 -4.096 1.00 0.00 O ATOM 1222 CB SER A 97 8.005 16.021 -2.801 1.00 0.00 C ATOM 1223 OG SER A 97 7.018 16.953 -3.207 1.00 0.00 O ATOM 0 H SER A 97 7.953 13.670 -0.524 1.00 0.00 H new ATOM 0 HA SER A 97 6.543 15.046 -1.562 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.657 16.478 -2.056 1.00 0.00 H new ATOM 0 HB3 SER A 97 8.631 15.756 -3.653 1.00 0.00 H new ATOM 0 HG SER A 97 6.127 16.576 -3.049 1.00 0.00 H new ATOM 1229 N ARG A 98 7.274 12.659 -3.461 1.00 0.00 N ATOM 1230 CA ARG A 98 6.799 11.746 -4.497 1.00 0.00 C ATOM 1231 C ARG A 98 7.171 10.307 -4.151 1.00 0.00 C ATOM 1232 O ARG A 98 8.262 10.046 -3.644 1.00 0.00 O ATOM 1233 CB ARG A 98 7.386 12.135 -5.858 1.00 0.00 C ATOM 1234 CG ARG A 98 6.368 12.756 -6.804 1.00 0.00 C ATOM 1235 CD ARG A 98 6.954 13.930 -7.568 1.00 0.00 C ATOM 1236 NE ARG A 98 6.510 15.212 -7.026 1.00 0.00 N ATOM 1237 CZ ARG A 98 6.869 16.393 -7.525 1.00 0.00 C ATOM 1238 NH1 ARG A 98 7.679 16.459 -8.574 1.00 0.00 N ATOM 1239 NH2 ARG A 98 6.416 17.511 -6.975 1.00 0.00 N ATOM 0 H ARG A 98 7.991 12.268 -2.850 1.00 0.00 H new ATOM 0 HA ARG A 98 5.713 11.819 -4.552 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.204 12.839 -5.704 1.00 0.00 H new ATOM 0 HB3 ARG A 98 7.813 11.249 -6.327 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.018 12.001 -7.509 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.499 13.089 -6.236 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.042 13.879 -7.533 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.666 13.860 -8.617 1.00 0.00 H new ATOM 0 HE ARG A 98 5.888 15.202 -6.217 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.030 15.602 -9.002 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.951 17.366 -8.952 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.792 17.467 -6.169 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.691 18.416 -7.358 1.00 0.00 H new ATOM 1253 N VAL A 99 6.257 9.377 -4.412 1.00 0.00 N ATOM 1254 CA VAL A 99 6.498 7.972 -4.107 1.00 0.00 C ATOM 1255 C VAL A 99 6.037 7.053 -5.233 1.00 0.00 C ATOM 1256 O VAL A 99 4.845 6.789 -5.387 1.00 0.00 O ATOM 1257 CB VAL A 99 5.797 7.555 -2.800 1.00 0.00 C ATOM 1258 CG1 VAL A 99 6.338 6.223 -2.310 1.00 0.00 C ATOM 1259 CG2 VAL A 99 5.969 8.632 -1.736 1.00 0.00 C ATOM 0 H VAL A 99 5.348 9.570 -4.832 1.00 0.00 H new ATOM 0 HA VAL A 99 7.577 7.866 -3.991 1.00 0.00 H new ATOM 0 HB VAL A 99 4.732 7.439 -2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.832 5.943 -1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.162 5.458 -3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.409 6.311 -2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 99 5.468 8.321 -0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 99 7.030 8.780 -1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.532 9.566 -2.090 1.00 0.00 H new ATOM 1269 N LYS A 100 6.999 6.546 -6.000 1.00 0.00 N ATOM 1270 CA LYS A 100 6.705 5.630 -7.096 1.00 0.00 C ATOM 1271 C LYS A 100 6.759 4.202 -6.579 1.00 0.00 C ATOM 1272 O LYS A 100 7.704 3.463 -6.853 1.00 0.00 O ATOM 1273 CB LYS A 100 7.707 5.808 -8.239 1.00 0.00 C ATOM 1274 CG LYS A 100 8.060 7.258 -8.524 1.00 0.00 C ATOM 1275 CD LYS A 100 7.989 7.571 -10.011 1.00 0.00 C ATOM 1276 CE LYS A 100 6.578 7.402 -10.552 1.00 0.00 C ATOM 1277 NZ LYS A 100 6.479 7.805 -11.982 1.00 0.00 N ATOM 0 H LYS A 100 7.990 6.755 -5.881 1.00 0.00 H new ATOM 0 HA LYS A 100 5.709 5.848 -7.481 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.619 5.262 -7.998 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.296 5.359 -9.143 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.378 7.912 -7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.064 7.468 -8.155 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.326 8.593 -10.185 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.669 6.915 -10.554 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.271 6.362 -10.446 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.887 8.000 -9.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.849 7.148 -12.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.095 8.769 -12.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.424 7.780 -12.416 1.00 0.00 H new ATOM 1291 N LEU A 101 5.748 3.831 -5.811 1.00 0.00 N ATOM 1292 CA LEU A 101 5.684 2.502 -5.227 1.00 0.00 C ATOM 1293 C LEU A 101 4.726 1.599 -5.994 1.00 0.00 C ATOM 1294 O LEU A 101 3.551 1.921 -6.173 1.00 0.00 O ATOM 1295 CB LEU A 101 5.292 2.597 -3.749 1.00 0.00 C ATOM 1296 CG LEU A 101 3.871 3.063 -3.480 1.00 0.00 C ATOM 1297 CD1 LEU A 101 3.475 2.741 -2.047 1.00 0.00 C ATOM 1298 CD2 LEU A 101 3.731 4.557 -3.748 1.00 0.00 C ATOM 0 H LEU A 101 4.959 4.433 -5.577 1.00 0.00 H new ATOM 0 HA LEU A 101 6.673 2.050 -5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.428 1.617 -3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.981 3.280 -3.251 1.00 0.00 H new ATOM 0 HG LEU A 101 3.201 2.533 -4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.455 3.080 -1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.534 1.664 -1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.152 3.248 -1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.705 4.868 -3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.410 5.108 -3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.977 4.764 -4.789 1.00 0.00 H new ATOM 1310 N ASN A 102 5.247 0.464 -6.450 1.00 0.00 N ATOM 1311 CA ASN A 102 4.451 -0.498 -7.199 1.00 0.00 C ATOM 1312 C ASN A 102 3.803 -1.500 -6.255 1.00 0.00 C ATOM 1313 O ASN A 102 4.481 -2.343 -5.666 1.00 0.00 O ATOM 1314 CB ASN A 102 5.323 -1.229 -8.223 1.00 0.00 C ATOM 1315 CG ASN A 102 5.149 -0.683 -9.626 1.00 0.00 C ATOM 1316 OD1 ASN A 102 4.059 -1.069 -10.280 1.00 0.00 O flip ATOM 1317 ND2 ASN A 102 5.983 0.078 -10.117 1.00 0.00 N flip ATOM 0 H ASN A 102 6.220 0.189 -6.313 1.00 0.00 H new ATOM 0 HA ASN A 102 3.666 0.042 -7.729 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.370 -1.145 -7.931 1.00 0.00 H new ATOM 0 HB3 ASN A 102 5.075 -2.290 -8.216 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.806 0.349 -9.579 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.851 0.438 -11.062 1.00 0.00 H new ATOM 1324 N ILE A 103 2.488 -1.398 -6.104 1.00 0.00 N ATOM 1325 CA ILE A 103 1.762 -2.296 -5.221 1.00 0.00 C ATOM 1326 C ILE A 103 1.084 -3.417 -6.000 1.00 0.00 C ATOM 1327 O ILE A 103 0.974 -3.359 -7.225 1.00 0.00 O ATOM 1328 CB ILE A 103 0.715 -1.537 -4.381 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -0.422 -1.015 -5.257 1.00 0.00 C ATOM 1330 CG2 ILE A 103 1.368 -0.391 -3.632 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -1.786 -1.344 -4.706 1.00 0.00 C ATOM 0 H ILE A 103 1.908 -0.707 -6.579 1.00 0.00 H new ATOM 0 HA ILE A 103 2.496 -2.736 -4.546 1.00 0.00 H new ATOM 0 HB ILE A 103 0.293 -2.236 -3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.328 0.066 -5.359 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.328 -1.439 -6.257 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.616 0.135 -3.044 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.139 -0.782 -2.968 1.00 0.00 H new ATOM 0 HG23 ILE A 103 1.819 0.299 -4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.553 -0.947 -5.372 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.896 -2.426 -4.629 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.897 -0.897 -3.718 1.00 0.00 H new ATOM 1343 N VAL A 104 0.645 -4.442 -5.280 1.00 0.00 N ATOM 1344 CA VAL A 104 -0.009 -5.585 -5.899 1.00 0.00 C ATOM 1345 C VAL A 104 -1.434 -5.767 -5.388 1.00 0.00 C ATOM 1346 O VAL A 104 -1.699 -5.663 -4.187 1.00 0.00 O ATOM 1347 CB VAL A 104 0.783 -6.883 -5.650 1.00 0.00 C ATOM 1348 CG1 VAL A 104 0.193 -8.036 -6.452 1.00 0.00 C ATOM 1349 CG2 VAL A 104 2.255 -6.682 -5.986 1.00 0.00 C ATOM 0 H VAL A 104 0.731 -4.504 -4.266 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.043 -5.380 -6.969 1.00 0.00 H new ATOM 0 HB VAL A 104 0.707 -7.136 -4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 104 0.767 -8.943 -6.262 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.844 -8.193 -6.154 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.233 -7.798 -7.515 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.799 -7.609 -5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 104 2.354 -6.403 -7.035 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.666 -5.891 -5.359 1.00 0.00 H new ATOM 1359 N ARG A 105 -2.343 -6.052 -6.314 1.00 0.00 N ATOM 1360 CA ARG A 105 -3.744 -6.269 -5.981 1.00 0.00 C ATOM 1361 C ARG A 105 -4.150 -7.696 -6.332 1.00 0.00 C ATOM 1362 O ARG A 105 -3.510 -8.342 -7.163 1.00 0.00 O ATOM 1363 CB ARG A 105 -4.630 -5.267 -6.727 1.00 0.00 C ATOM 1364 CG ARG A 105 -5.195 -4.170 -5.841 1.00 0.00 C ATOM 1365 CD ARG A 105 -5.942 -3.128 -6.657 1.00 0.00 C ATOM 1366 NE ARG A 105 -7.344 -3.491 -6.859 1.00 0.00 N ATOM 1367 CZ ARG A 105 -8.340 -3.096 -6.067 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -8.097 -2.331 -5.009 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -9.583 -3.470 -6.331 1.00 0.00 N ATOM 0 H ARG A 105 -2.131 -6.138 -7.308 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.877 -6.119 -4.910 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -4.050 -4.811 -7.529 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.455 -5.804 -7.195 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -5.867 -4.607 -5.103 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -4.385 -3.691 -5.291 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -5.887 -2.164 -6.151 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.455 -3.009 -7.625 1.00 0.00 H new ATOM 0 HE ARG A 105 -7.574 -4.084 -7.656 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -7.142 -2.041 -4.798 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -8.865 -2.033 -4.408 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -9.777 -4.060 -7.140 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -10.346 -3.168 -5.725 1.00 0.00 H new TER 1383 ARG A 105