USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 25 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.151 USER MOD Set 2.2: A 9 THR OG1 : rot -3:sc= 0.0226 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -176:sc= 1.15 (180deg=-0.0443) USER MOD Set 3.2: A 12 THR OG1 : rot 176:sc= 0.983 USER MOD Single : A 1 MET CE :methyl -175:sc= 0 (180deg=-0.000595) USER MOD Single : A 1 MET N :NH3+ -156:sc= 2.36 (180deg=1.36) USER MOD Single : A 2 GLN : amide:sc= 0.35 K(o=0.35,f=-0.91) USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= 1.24 (180deg=1.05) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 1.29 (180deg=0.356) USER MOD Single : A 29 LYS NZ :NH3+ 151:sc= 2.41 (180deg=0.139) USER MOD Single : A 31 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.24) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.00081) USER MOD Single : A 41 GLN : amide:sc= 0.489 K(o=0.49,f=-1.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.181 K(o=-0.18,f=-0.8) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.319 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 87:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0497 X(o=-0.05,f=-0.0033) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.280 -7.394 -5.222 1.00 9.67 N ATOM 2 CA MET A 1 11.259 -7.590 -3.748 1.00 10.38 C ATOM 3 C MET A 1 9.891 -7.987 -3.192 1.00 9.62 C ATOM 4 O MET A 1 8.882 -7.610 -3.721 1.00 9.62 O ATOM 5 CB MET A 1 11.992 -6.470 -3.052 1.00 13.77 C ATOM 6 CG MET A 1 11.149 -5.289 -2.538 1.00 16.29 C ATOM 7 SD MET A 1 12.122 -4.196 -1.509 1.00 17.17 S ATOM 8 CE MET A 1 10.718 -3.127 -1.175 1.00 16.11 C ATOM 0 H1 MET A 1 12.248 -7.531 -5.577 1.00 9.67 H new ATOM 0 H2 MET A 1 10.645 -8.083 -5.673 1.00 9.67 H new ATOM 0 H3 MET A 1 10.962 -6.430 -5.449 1.00 9.67 H new ATOM 0 HA MET A 1 11.833 -8.484 -3.506 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.531 -6.894 -2.205 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.740 -6.077 -3.741 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.745 -4.732 -3.384 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.299 -5.666 -1.970 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.048 -2.263 -0.599 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.284 -2.791 -2.117 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.969 -3.678 -0.607 1.00 16.11 H new ATOM 20 N GLN A 2 9.786 -8.679 -2.027 1.00 9.27 N ATOM 21 CA GLN A 2 8.531 -9.062 -1.422 1.00 9.07 C ATOM 22 C GLN A 2 8.174 -8.043 -0.282 1.00 8.72 C ATOM 23 O GLN A 2 8.970 -7.598 0.585 1.00 8.22 O ATOM 24 CB GLN A 2 8.779 -10.445 -0.871 1.00 14.46 C ATOM 25 CG GLN A 2 7.485 -11.065 -0.285 1.00 17.01 C ATOM 26 CD GLN A 2 7.618 -12.545 -0.066 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.755 -13.313 -0.519 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.667 -12.973 0.647 1.00 19.49 N ATOM 0 H GLN A 2 10.600 -8.981 -1.491 1.00 9.27 H new ATOM 0 HA GLN A 2 7.694 -9.060 -2.120 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.166 -11.088 -1.661 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.544 -10.397 -0.096 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.246 -10.579 0.661 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.652 -10.872 -0.961 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.352 -12.304 0.999 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.782 -13.968 0.838 1.00 19.49 H new ATOM 37 N ILE A 3 6.871 -7.643 -0.123 1.00 5.87 N ATOM 38 CA ILE A 3 6.317 -6.804 0.847 1.00 5.07 C ATOM 39 C ILE A 3 4.989 -7.394 1.141 1.00 4.01 C ATOM 40 O ILE A 3 4.457 -8.076 0.226 1.00 4.61 O ATOM 41 CB ILE A 3 6.139 -5.294 0.676 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.139 -4.953 -0.437 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.580 -4.682 0.608 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.020 -3.427 -0.717 1.00 10.83 C ATOM 0 H ILE A 3 6.154 -7.969 -0.772 1.00 5.87 H new ATOM 0 HA ILE A 3 7.093 -6.789 1.613 1.00 5.07 H new ATOM 0 HB ILE A 3 5.645 -4.813 1.520 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.440 -5.460 -1.353 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.158 -5.342 -0.165 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.511 -3.601 0.486 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.116 -4.909 1.530 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.117 -5.109 -0.239 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.296 -3.259 -1.515 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.689 -2.916 0.187 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.991 -3.036 -1.020 1.00 10.83 H new ATOM 56 N PHE A 4 4.501 -7.270 2.432 1.00 4.55 N ATOM 57 CA PHE A 4 3.251 -7.862 2.847 1.00 4.68 C ATOM 58 C PHE A 4 2.323 -6.852 3.385 1.00 5.30 C ATOM 59 O PHE A 4 2.771 -6.046 4.183 1.00 5.58 O ATOM 60 CB PHE A 4 3.492 -8.822 3.981 1.00 4.83 C ATOM 61 CG PHE A 4 4.545 -9.851 3.669 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.405 -10.830 2.660 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.802 -9.833 4.407 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.368 -11.829 2.570 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.863 -10.684 4.074 1.00 10.61 C ATOM 66 CZ PHE A 4 6.641 -11.734 3.199 1.00 8.90 C ATOM 0 H PHE A 4 4.984 -6.758 3.171 1.00 4.55 H new ATOM 0 HA PHE A 4 2.831 -8.347 1.966 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.791 -8.261 4.867 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.558 -9.329 4.225 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.570 -10.803 1.975 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.918 -9.146 5.232 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.140 -12.716 1.998 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.844 -10.523 4.495 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.414 -12.462 2.999 1.00 8.90 H new ATOM 76 N VAL A 5 1.078 -6.837 2.937 1.00 4.44 N ATOM 77 CA VAL A 5 0.122 -5.796 3.315 1.00 3.87 C ATOM 78 C VAL A 5 -1.038 -6.383 4.116 1.00 4.93 C ATOM 79 O VAL A 5 -1.843 -7.163 3.672 1.00 6.84 O ATOM 80 CB VAL A 5 -0.399 -5.083 2.099 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.210 -3.888 2.538 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.800 -4.614 1.241 1.00 9.13 C ATOM 0 H VAL A 5 0.698 -7.540 2.304 1.00 4.44 H new ATOM 0 HA VAL A 5 0.646 -5.076 3.944 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.029 -5.751 1.511 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.592 -3.365 1.661 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.045 -4.222 3.154 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.579 -3.213 3.117 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.433 -4.095 0.356 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.423 -3.937 1.826 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.390 -5.479 0.936 1.00 9.13 H new ATOM 92 N LYS A 6 -1.078 -5.972 5.358 1.00 6.04 N ATOM 93 CA LYS A 6 -2.109 -6.413 6.297 1.00 6.12 C ATOM 94 C LYS A 6 -3.396 -5.643 6.276 1.00 6.57 C ATOM 95 O LYS A 6 -3.398 -4.437 6.532 1.00 5.76 O ATOM 96 CB LYS A 6 -1.516 -6.373 7.672 1.00 7.45 C ATOM 97 CG LYS A 6 -0.652 -7.578 7.953 1.00 11.12 C ATOM 98 CD LYS A 6 -1.428 -8.868 8.346 1.00 14.54 C ATOM 99 CE LYS A 6 -0.516 -9.847 9.122 1.00 18.84 C ATOM 100 NZ LYS A 6 0.474 -10.365 8.170 1.00 20.55 N ATOM 0 H LYS A 6 -0.402 -5.322 5.759 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.398 -7.416 5.985 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.921 -5.467 7.783 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.316 -6.321 8.410 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.051 -7.789 7.069 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.041 -7.330 8.757 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.291 -8.606 8.958 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.810 -9.355 7.449 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.023 -9.339 9.951 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.101 -10.661 9.550 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.066 -11.080 8.639 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.016 -10.797 7.361 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.075 -9.585 7.835 1.00 20.55 H new ATOM 114 N THR A 7 -4.495 -6.341 6.037 1.00 7.41 N ATOM 115 CA THR A 7 -5.854 -5.742 6.040 1.00 7.48 C ATOM 116 C THR A 7 -6.234 -5.344 7.399 1.00 8.75 C ATOM 117 O THR A 7 -5.555 -5.649 8.381 1.00 8.58 O ATOM 118 CB THR A 7 -6.958 -6.491 5.324 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.561 -7.501 6.080 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.482 -7.113 3.974 1.00 9.17 C ATOM 0 H THR A 7 -4.488 -7.340 5.834 1.00 7.41 H new ATOM 0 HA THR A 7 -5.751 -4.862 5.405 1.00 7.48 H new ATOM 0 HB THR A 7 -7.703 -5.717 5.140 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.262 -7.933 5.549 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.313 -7.638 3.503 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.131 -6.321 3.312 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.670 -7.815 4.163 1.00 9.17 H new ATOM 128 N LEU A 8 -7.337 -4.613 7.575 1.00 9.84 N ATOM 129 CA LEU A 8 -8.002 -4.272 8.829 1.00 14.15 C ATOM 130 C LEU A 8 -8.451 -5.465 9.625 1.00 17.37 C ATOM 131 O LEU A 8 -8.137 -5.612 10.821 1.00 17.01 O ATOM 132 CB LEU A 8 -9.280 -3.420 8.443 1.00 16.63 C ATOM 133 CG LEU A 8 -10.123 -2.880 9.616 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.450 -1.781 10.405 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.470 -2.398 8.970 1.00 18.59 C ATOM 0 H LEU A 8 -7.827 -4.212 6.775 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.290 -3.736 9.457 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.956 -2.574 7.837 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.924 -4.035 7.814 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.276 -3.662 10.359 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.108 -1.457 11.211 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.517 -2.155 10.826 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.239 -0.938 9.747 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.124 -2.000 9.746 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.263 -1.620 8.235 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.960 -3.239 8.480 1.00 18.59 H new ATOM 147 N THR A 9 -9.045 -6.431 8.882 1.00 18.33 N ATOM 148 CA THR A 9 -9.455 -7.709 9.460 1.00 19.24 C ATOM 149 C THR A 9 -8.289 -8.701 9.647 1.00 19.48 C ATOM 150 O THR A 9 -8.367 -9.644 10.438 1.00 23.14 O ATOM 151 CB THR A 9 -10.542 -8.522 8.777 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.251 -8.789 7.436 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.857 -7.675 8.844 1.00 19.70 C ATOM 0 H THR A 9 -9.245 -6.338 7.886 1.00 18.33 H new ATOM 0 HA THR A 9 -9.868 -7.319 10.390 1.00 19.24 H new ATOM 0 HB THR A 9 -10.633 -9.483 9.284 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.413 -8.346 7.189 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.667 -8.223 8.363 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.115 -7.486 9.886 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.705 -6.726 8.330 1.00 19.70 H new ATOM 161 N GLY A 10 -7.130 -8.363 8.968 1.00 19.43 N ATOM 162 CA GLY A 10 -5.798 -8.995 9.261 1.00 18.74 C ATOM 163 C GLY A 10 -5.457 -10.073 8.316 1.00 17.62 C ATOM 164 O GLY A 10 -4.500 -10.831 8.487 1.00 19.74 O ATOM 0 H GLY A 10 -7.100 -7.665 8.225 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.023 -8.230 9.227 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.806 -9.396 10.275 1.00 18.74 H new ATOM 168 N LYS A 11 -6.147 -10.209 7.192 1.00 13.56 N ATOM 169 CA LYS A 11 -5.647 -10.954 6.035 1.00 11.91 C ATOM 170 C LYS A 11 -4.325 -10.379 5.506 1.00 10.18 C ATOM 171 O LYS A 11 -4.077 -9.176 5.604 1.00 9.10 O ATOM 172 CB LYS A 11 -6.673 -11.018 4.840 1.00 13.43 C ATOM 173 CG LYS A 11 -6.252 -11.757 3.553 1.00 16.69 C ATOM 174 CD LYS A 11 -7.319 -11.839 2.504 1.00 17.92 C ATOM 175 CE LYS A 11 -7.013 -12.593 1.240 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.992 -12.239 0.192 1.00 21.93 N ATOM 0 H LYS A 11 -7.073 -9.806 7.052 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.489 -11.965 6.410 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.585 -11.487 5.210 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.929 -9.994 4.567 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.382 -11.255 3.129 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.940 -12.768 3.815 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.199 -12.294 2.959 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.593 -10.821 2.227 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.004 -12.358 0.901 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.043 -13.666 1.430 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.623 -12.524 -0.738 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.889 -12.732 0.374 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.153 -11.212 0.201 1.00 21.93 H new ATOM 190 N THR A 12 -3.451 -11.185 4.912 1.00 9.63 N ATOM 191 CA THR A 12 -2.161 -10.763 4.447 1.00 9.85 C ATOM 192 C THR A 12 -2.142 -10.869 2.960 1.00 11.66 C ATOM 193 O THR A 12 -2.281 -11.966 2.398 1.00 12.33 O ATOM 194 CB THR A 12 -1.055 -11.612 5.027 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.136 -11.861 6.430 1.00 10.91 O ATOM 196 CG2 THR A 12 0.239 -10.872 4.657 1.00 9.63 C ATOM 0 H THR A 12 -3.638 -12.173 4.743 1.00 9.63 H new ATOM 0 HA THR A 12 -1.990 -9.735 4.767 1.00 9.85 H new ATOM 0 HB THR A 12 -1.117 -12.618 4.613 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.416 -12.470 6.696 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.097 -11.424 5.042 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.316 -10.793 3.573 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.224 -9.873 5.093 1.00 9.63 H new ATOM 204 N ILE A 13 -1.961 -9.744 2.269 1.00 10.42 N ATOM 205 CA ILE A 13 -1.740 -9.733 0.853 1.00 11.84 C ATOM 206 C ILE A 13 -0.228 -9.844 0.589 1.00 10.55 C ATOM 207 O ILE A 13 0.512 -9.175 1.378 1.00 11.92 O ATOM 208 CB ILE A 13 -2.290 -8.378 0.199 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.747 -8.171 0.632 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.155 -8.471 -1.357 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.369 -6.763 0.613 1.00 16.46 C ATOM 0 H ILE A 13 -1.967 -8.817 2.694 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.272 -10.573 0.406 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.710 -7.519 0.538 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.366 -8.806 -0.002 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.839 -8.551 1.650 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.527 -7.552 -1.810 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.107 -8.608 -1.624 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.736 -9.317 -1.723 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.404 -6.818 0.952 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.805 -6.107 1.276 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.340 -6.366 -0.402 1.00 16.46 H new ATOM 223 N THR A 14 0.283 -10.623 -0.390 1.00 9.39 N ATOM 224 CA THR A 14 1.712 -10.836 -0.567 1.00 9.63 C ATOM 225 C THR A 14 2.047 -10.277 -1.934 1.00 11.20 C ATOM 226 O THR A 14 1.564 -10.743 -2.946 1.00 11.63 O ATOM 227 CB THR A 14 2.118 -12.308 -0.668 1.00 10.38 C ATOM 228 OG1 THR A 14 1.862 -13.026 0.521 1.00 16.30 O ATOM 229 CG2 THR A 14 3.627 -12.528 -0.900 1.00 11.66 C ATOM 0 H THR A 14 -0.294 -11.115 -1.072 1.00 9.39 H new ATOM 0 HA THR A 14 2.213 -10.385 0.290 1.00 9.63 H new ATOM 0 HB THR A 14 1.524 -12.655 -1.514 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.137 -13.960 0.405 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.834 -13.596 -0.960 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.926 -12.048 -1.832 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.189 -12.096 -0.072 1.00 11.66 H new ATOM 237 N LEU A 15 2.953 -9.244 -1.945 1.00 8.29 N ATOM 238 CA LEU A 15 3.177 -8.298 -3.060 1.00 9.03 C ATOM 239 C LEU A 15 4.612 -8.292 -3.637 1.00 8.59 C ATOM 240 O LEU A 15 5.553 -8.419 -2.878 1.00 7.79 O ATOM 241 CB LEU A 15 2.736 -6.804 -2.772 1.00 11.08 C ATOM 242 CG LEU A 15 1.252 -6.684 -2.518 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.035 -5.172 -2.255 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.390 -7.120 -3.715 1.00 15.27 C ATOM 0 H LEU A 15 3.559 -9.053 -1.147 1.00 8.29 H new ATOM 0 HA LEU A 15 2.508 -8.711 -3.815 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.282 -6.426 -1.908 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.009 -6.177 -3.621 1.00 11.08 H new ATOM 0 HG LEU A 15 0.953 -7.333 -1.695 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.021 -4.985 -2.059 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.625 -4.865 -1.391 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.348 -4.602 -3.130 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.665 -7.008 -3.464 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.625 -6.498 -4.579 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.598 -8.163 -3.952 1.00 15.27 H new ATOM 256 N GLU A 16 4.758 -8.196 -5.007 1.00 11.04 N ATOM 257 CA GLU A 16 6.052 -8.074 -5.636 1.00 11.50 C ATOM 258 C GLU A 16 6.189 -6.635 -6.046 1.00 10.13 C ATOM 259 O GLU A 16 5.546 -6.100 -6.979 1.00 9.83 O ATOM 260 CB GLU A 16 5.984 -8.941 -6.932 1.00 17.22 C ATOM 261 CG GLU A 16 7.289 -9.010 -7.746 1.00 23.33 C ATOM 262 CD GLU A 16 8.380 -9.252 -6.780 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.408 -10.352 -6.197 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.317 -8.421 -6.743 1.00 28.86 O ATOM 0 H GLU A 16 3.975 -8.204 -5.661 1.00 11.04 H new ATOM 0 HA GLU A 16 6.874 -8.382 -4.989 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.693 -9.955 -6.657 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.196 -8.546 -7.573 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.242 -9.810 -8.485 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.454 -8.081 -8.292 1.00 23.33 H new ATOM 271 N VAL A 17 7.110 -5.952 -5.372 1.00 8.99 N ATOM 272 CA VAL A 17 7.434 -4.597 -5.605 1.00 8.85 C ATOM 273 C VAL A 17 8.874 -4.335 -5.921 1.00 8.04 C ATOM 274 O VAL A 17 9.851 -5.062 -5.760 1.00 8.99 O ATOM 275 CB VAL A 17 7.034 -3.724 -4.469 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.531 -3.773 -4.321 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.728 -4.212 -3.210 1.00 10.54 C ATOM 0 H VAL A 17 7.660 -6.370 -4.621 1.00 8.99 H new ATOM 0 HA VAL A 17 6.858 -4.352 -6.497 1.00 8.85 H new ATOM 0 HB VAL A 17 7.329 -2.690 -4.649 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.226 -3.136 -3.491 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.063 -3.420 -5.240 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.218 -4.799 -4.126 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.443 -3.580 -2.369 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.432 -5.241 -3.007 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.808 -4.166 -3.349 1.00 10.54 H new ATOM 287 N GLU A 18 9.047 -3.137 -6.571 1.00 7.29 N ATOM 288 CA GLU A 18 10.393 -2.551 -6.678 1.00 7.08 C ATOM 289 C GLU A 18 10.418 -1.415 -5.677 1.00 6.45 C ATOM 290 O GLU A 18 9.428 -0.766 -5.466 1.00 5.28 O ATOM 291 CB GLU A 18 10.625 -1.971 -8.107 1.00 10.28 C ATOM 292 CG GLU A 18 12.071 -1.648 -8.444 1.00 12.65 C ATOM 293 CD GLU A 18 13.012 -2.835 -8.570 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.945 -3.627 -9.561 1.00 18.17 O ATOM 295 OE2 GLU A 18 13.875 -2.954 -7.665 1.00 14.33 O ATOM 0 H GLU A 18 8.300 -2.594 -7.004 1.00 7.29 H new ATOM 0 HA GLU A 18 11.165 -3.297 -6.490 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.249 -2.686 -8.838 1.00 10.28 H new ATOM 0 HB3 GLU A 18 10.031 -1.063 -8.215 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.089 -1.096 -9.383 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.461 -0.981 -7.675 1.00 12.65 H new ATOM 302 N PRO A 19 11.512 -1.117 -5.007 1.00 7.24 N ATOM 303 CA PRO A 19 11.536 0.077 -4.122 1.00 7.07 C ATOM 304 C PRO A 19 11.074 1.397 -4.724 1.00 6.65 C ATOM 305 O PRO A 19 10.689 2.328 -4.024 1.00 6.37 O ATOM 306 CB PRO A 19 13.061 0.176 -3.707 1.00 7.61 C ATOM 307 CG PRO A 19 13.432 -1.300 -3.614 1.00 8.16 C ATOM 308 CD PRO A 19 12.760 -1.904 -4.845 1.00 7.49 C ATOM 0 HA PRO A 19 10.821 -0.063 -3.312 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.657 0.705 -4.450 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.198 0.696 -2.759 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.512 -1.446 -3.632 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.065 -1.751 -2.692 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.398 -1.824 -5.725 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.546 -2.963 -4.702 1.00 7.49 H new ATOM 316 N SER A 20 11.087 1.454 -6.097 1.00 6.80 N ATOM 317 CA SER A 20 10.810 2.690 -6.821 1.00 6.28 C ATOM 318 C SER A 20 9.395 2.725 -7.441 1.00 8.45 C ATOM 319 O SER A 20 9.058 3.651 -8.155 1.00 7.26 O ATOM 320 CB SER A 20 11.880 2.870 -7.971 1.00 8.57 C ATOM 321 OG SER A 20 11.881 1.743 -8.808 1.00 11.13 O ATOM 0 H SER A 20 11.287 0.653 -6.696 1.00 6.80 H new ATOM 0 HA SER A 20 10.866 3.503 -6.097 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.654 3.764 -8.552 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.870 3.012 -7.538 1.00 8.57 H new ATOM 0 HG SER A 20 12.545 1.864 -9.518 1.00 11.13 H new ATOM 327 N ASP A 21 8.578 1.702 -7.142 1.00 7.50 N ATOM 328 CA ASP A 21 7.117 1.752 -7.270 1.00 7.70 C ATOM 329 C ASP A 21 6.511 2.894 -6.491 1.00 7.08 C ATOM 330 O ASP A 21 6.631 2.994 -5.241 1.00 8.11 O ATOM 331 CB ASP A 21 6.474 0.337 -6.974 1.00 11.00 C ATOM 332 CG ASP A 21 6.851 -0.767 -7.959 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.395 -0.417 -9.058 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.569 -1.973 -7.673 1.00 14.36 O ATOM 0 H ASP A 21 8.922 0.805 -6.800 1.00 7.50 H new ATOM 0 HA ASP A 21 6.871 1.978 -8.308 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.769 0.024 -5.972 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.389 0.443 -6.969 1.00 11.00 H new ATOM 339 N THR A 22 5.691 3.691 -7.224 1.00 5.37 N ATOM 340 CA THR A 22 4.773 4.624 -6.479 1.00 6.01 C ATOM 341 C THR A 22 3.687 3.940 -5.642 1.00 8.01 C ATOM 342 O THR A 22 3.208 2.839 -5.915 1.00 8.11 O ATOM 343 CB THR A 22 4.193 5.794 -7.309 1.00 8.92 C ATOM 344 OG1 THR A 22 3.423 5.267 -8.434 1.00 10.22 O ATOM 345 CG2 THR A 22 5.340 6.679 -7.951 1.00 9.65 C ATOM 0 H THR A 22 5.636 3.720 -8.242 1.00 5.37 H new ATOM 0 HA THR A 22 5.466 5.077 -5.770 1.00 6.01 H new ATOM 0 HB THR A 22 3.584 6.389 -6.629 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.056 6.011 -8.956 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.894 7.491 -8.526 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.964 7.095 -7.160 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.951 6.061 -8.609 1.00 9.65 H new ATOM 353 N ILE A 23 3.166 4.644 -4.645 1.00 8.32 N ATOM 354 CA ILE A 23 2.134 4.075 -3.797 1.00 9.92 C ATOM 355 C ILE A 23 0.901 3.834 -4.509 1.00 10.01 C ATOM 356 O ILE A 23 0.097 2.926 -4.276 1.00 8.71 O ATOM 357 CB ILE A 23 1.894 5.016 -2.637 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.097 4.865 -1.689 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.603 4.663 -1.843 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.317 3.490 -0.951 1.00 12.30 C ATOM 0 H ILE A 23 3.439 5.598 -4.408 1.00 8.32 H new ATOM 0 HA ILE A 23 2.480 3.104 -3.441 1.00 9.92 H new ATOM 0 HB ILE A 23 1.776 6.029 -3.021 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.998 5.079 -2.264 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.015 5.639 -0.926 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.477 5.368 -1.021 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.260 4.721 -2.507 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.686 3.652 -1.444 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.206 3.552 -0.323 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.449 3.267 -0.330 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.448 2.698 -1.688 1.00 12.30 H new ATOM 372 N GLU A 24 0.711 4.665 -5.537 1.00 9.54 N ATOM 373 CA GLU A 24 -0.341 4.567 -6.554 1.00 11.81 C ATOM 374 C GLU A 24 -0.277 3.281 -7.322 1.00 11.14 C ATOM 375 O GLU A 24 -1.318 2.547 -7.457 1.00 10.62 O ATOM 376 CB GLU A 24 -0.224 5.848 -7.501 1.00 19.24 C ATOM 377 CG GLU A 24 -1.498 6.005 -8.324 1.00 27.76 C ATOM 378 CD GLU A 24 -1.129 6.979 -9.366 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.124 6.691 -10.127 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.762 8.041 -9.582 1.00 34.80 O ATOM 0 H GLU A 24 1.320 5.469 -5.691 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.318 4.554 -6.071 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.057 6.741 -6.899 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.636 5.744 -8.163 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.813 5.056 -8.758 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.326 6.367 -7.714 1.00 27.76 H new ATOM 387 N ASN A 25 0.950 2.918 -7.807 1.00 9.43 N ATOM 388 CA ASN A 25 1.237 1.582 -8.361 1.00 10.96 C ATOM 389 C ASN A 25 1.093 0.426 -7.394 1.00 9.68 C ATOM 390 O ASN A 25 0.508 -0.578 -7.735 1.00 9.33 O ATOM 391 CB ASN A 25 2.692 1.472 -8.958 1.00 16.78 C ATOM 392 CG ASN A 25 2.636 2.058 -10.363 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.291 3.211 -10.458 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.935 1.256 -11.383 1.00 24.70 N ATOM 0 H ASN A 25 1.753 3.547 -7.819 1.00 9.43 H new ATOM 0 HA ASN A 25 0.470 1.494 -9.131 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.406 2.017 -8.340 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.021 0.433 -8.985 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.881 1.606 -12.340 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.218 0.292 -11.208 1.00 24.70 H new ATOM 401 N VAL A 26 1.654 0.611 -6.183 1.00 6.52 N ATOM 402 CA VAL A 26 1.599 -0.433 -5.177 1.00 5.53 C ATOM 403 C VAL A 26 0.164 -0.837 -4.773 1.00 4.42 C ATOM 404 O VAL A 26 -0.226 -2.015 -4.686 1.00 3.40 O ATOM 405 CB VAL A 26 2.268 0.129 -3.936 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.112 -0.697 -2.661 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.751 0.245 -4.209 1.00 8.12 C ATOM 0 H VAL A 26 2.138 1.461 -5.894 1.00 6.52 H new ATOM 0 HA VAL A 26 2.081 -1.319 -5.590 1.00 5.53 H new ATOM 0 HB VAL A 26 1.769 1.080 -3.750 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.630 -0.200 -1.840 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.054 -0.794 -2.417 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.541 -1.687 -2.814 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.253 0.648 -3.329 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.157 -0.740 -4.439 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.914 0.911 -5.056 1.00 8.12 H new ATOM 417 N LYS A 27 -0.724 0.211 -4.620 1.00 2.64 N ATOM 418 CA LYS A 27 -2.117 -0.006 -4.534 1.00 4.14 C ATOM 419 C LYS A 27 -2.761 -0.629 -5.776 1.00 5.58 C ATOM 420 O LYS A 27 -3.714 -1.351 -5.598 1.00 4.11 O ATOM 421 CB LYS A 27 -2.920 1.313 -4.303 1.00 3.97 C ATOM 422 CG LYS A 27 -2.565 2.021 -2.945 1.00 7.45 C ATOM 423 CD LYS A 27 -3.208 3.366 -2.751 1.00 9.02 C ATOM 424 CE LYS A 27 -3.031 4.324 -3.948 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.883 5.518 -3.808 1.00 15.47 N ATOM 0 H LYS A 27 -0.445 1.190 -4.560 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.177 -0.695 -3.691 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.724 2.000 -5.126 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.987 1.090 -4.322 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.862 1.370 -2.123 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.483 2.138 -2.884 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.273 3.225 -2.566 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.789 3.833 -1.860 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.987 4.627 -4.023 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.279 3.804 -4.873 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.052 5.936 -4.745 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.792 5.248 -3.380 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.407 6.214 -3.199 1.00 15.47 H new ATOM 439 N ALA A 28 -2.330 -0.430 -7.022 1.00 6.61 N ATOM 440 CA ALA A 28 -2.866 -1.176 -8.202 1.00 7.74 C ATOM 441 C ALA A 28 -2.503 -2.651 -8.217 1.00 9.17 C ATOM 442 O ALA A 28 -3.238 -3.542 -8.612 1.00 11.45 O ATOM 443 CB ALA A 28 -2.325 -0.478 -9.434 1.00 7.68 C ATOM 0 H ALA A 28 -1.604 0.245 -7.260 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.955 -1.163 -8.164 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.688 -0.985 -10.328 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.662 0.558 -9.443 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.235 -0.505 -9.418 1.00 7.68 H new ATOM 449 N LYS A 29 -1.331 -2.969 -7.588 1.00 8.96 N ATOM 450 CA LYS A 29 -0.971 -4.359 -7.277 1.00 7.90 C ATOM 451 C LYS A 29 -1.904 -5.050 -6.250 1.00 6.92 C ATOM 452 O LYS A 29 -2.217 -6.213 -6.383 1.00 6.87 O ATOM 453 CB LYS A 29 0.494 -4.393 -6.867 1.00 10.28 C ATOM 454 CG LYS A 29 1.380 -3.893 -8.028 1.00 14.94 C ATOM 455 CD LYS A 29 2.834 -4.282 -7.892 1.00 19.69 C ATOM 456 CE LYS A 29 3.779 -3.662 -8.920 1.00 22.63 C ATOM 457 NZ LYS A 29 5.174 -3.931 -8.696 1.00 24.98 N ATOM 0 H LYS A 29 -0.638 -2.280 -7.296 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.116 -4.956 -8.177 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.648 -3.769 -5.987 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.780 -5.408 -6.592 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.993 -4.290 -8.966 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.307 -2.807 -8.087 1.00 14.94 H new ATOM 0 HD2 LYS A 29 3.175 -4.002 -6.895 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.910 -5.367 -7.962 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.507 -4.028 -9.910 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.628 -2.583 -8.927 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.678 -3.931 -9.606 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 5.574 -3.196 -8.078 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 5.280 -4.861 -8.242 1.00 24.98 H new ATOM 471 N ILE A 30 -2.455 -4.353 -5.246 1.00 4.57 N ATOM 472 CA ILE A 30 -3.587 -4.792 -4.387 1.00 5.58 C ATOM 473 C ILE A 30 -4.873 -4.886 -5.193 1.00 7.26 C ATOM 474 O ILE A 30 -5.626 -5.837 -5.026 1.00 9.46 O ATOM 475 CB ILE A 30 -3.778 -3.802 -3.218 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.562 -4.015 -2.269 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.072 -3.983 -2.336 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.454 -3.100 -1.137 1.00 2.00 C ATOM 0 H ILE A 30 -2.116 -3.425 -4.991 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.352 -5.780 -3.991 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.871 -2.816 -3.673 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.605 -5.033 -1.882 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.650 -3.936 -2.860 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.086 -3.227 -1.551 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.957 -3.873 -2.962 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.068 -4.975 -1.884 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.569 -3.349 -0.551 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.371 -2.077 -1.503 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.341 -3.190 -0.510 1.00 2.00 H new ATOM 490 N GLN A 31 -5.209 -3.982 -6.092 1.00 7.06 N ATOM 491 CA GLN A 31 -6.456 -4.112 -6.915 1.00 8.67 C ATOM 492 C GLN A 31 -6.498 -5.301 -7.773 1.00 10.90 C ATOM 493 O GLN A 31 -7.584 -5.874 -7.960 1.00 9.63 O ATOM 494 CB GLN A 31 -6.599 -2.824 -7.745 1.00 9.12 C ATOM 495 CG GLN A 31 -7.860 -2.849 -8.700 1.00 10.76 C ATOM 496 CD GLN A 31 -7.942 -1.638 -9.663 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.915 -0.875 -9.656 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.980 -1.427 -10.575 1.00 14.76 N ATOM 0 H GLN A 31 -4.659 -3.146 -6.291 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.296 -4.246 -6.234 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.675 -1.970 -7.072 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.699 -2.680 -8.343 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.841 -3.767 -9.287 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.764 -2.879 -8.092 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.164 -2.039 -10.607 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.065 -0.655 -11.236 1.00 14.76 H new ATOM 507 N ASP A 32 -5.341 -5.714 -8.287 1.00 10.93 N ATOM 508 CA ASP A 32 -5.154 -6.871 -9.181 1.00 14.01 C ATOM 509 C ASP A 32 -5.338 -8.090 -8.358 1.00 14.04 C ATOM 510 O ASP A 32 -6.002 -9.054 -8.747 1.00 13.39 O ATOM 511 CB ASP A 32 -3.747 -6.676 -9.781 1.00 18.01 C ATOM 512 CG ASP A 32 -3.313 -7.675 -10.841 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.711 -7.646 -12.039 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.475 -8.521 -10.420 1.00 26.29 O ATOM 0 H ASP A 32 -4.464 -5.234 -8.086 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.860 -6.966 -10.006 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.697 -5.677 -10.214 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.023 -6.707 -8.967 1.00 18.01 H new ATOM 519 N LYS A 33 -4.762 -8.086 -7.125 1.00 14.22 N ATOM 520 CA LYS A 33 -5.048 -9.113 -6.203 1.00 14.00 C ATOM 521 C LYS A 33 -6.452 -9.251 -5.691 1.00 12.37 C ATOM 522 O LYS A 33 -7.096 -10.294 -5.774 1.00 12.17 O ATOM 523 CB LYS A 33 -4.187 -8.918 -4.911 1.00 18.62 C ATOM 524 CG LYS A 33 -2.703 -9.378 -4.999 1.00 24.00 C ATOM 525 CD LYS A 33 -2.437 -10.872 -5.145 1.00 27.61 C ATOM 526 CE LYS A 33 -0.954 -11.245 -4.937 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.640 -12.493 -5.655 1.00 30.06 N ATOM 0 H LYS A 33 -4.112 -7.375 -6.791 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.836 -10.000 -6.800 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.203 -7.861 -4.645 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.666 -9.459 -4.095 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.243 -8.870 -5.847 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.189 -9.031 -4.102 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.047 -11.416 -4.424 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.751 -11.196 -6.137 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.314 -10.439 -5.296 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.747 -11.366 -3.874 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.361 -12.735 -5.509 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.239 -13.262 -5.293 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.820 -12.364 -6.671 1.00 30.06 H new ATOM 541 N GLU A 34 -7.060 -8.147 -5.181 1.00 10.11 N ATOM 542 CA GLU A 34 -8.217 -8.144 -4.277 1.00 10.07 C ATOM 543 C GLU A 34 -9.452 -7.430 -4.842 1.00 9.32 C ATOM 544 O GLU A 34 -10.464 -7.265 -4.157 1.00 11.61 O ATOM 545 CB GLU A 34 -7.887 -7.463 -2.909 1.00 14.77 C ATOM 546 CG GLU A 34 -6.745 -8.223 -2.082 1.00 18.75 C ATOM 547 CD GLU A 34 -7.232 -9.558 -1.652 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.940 -9.699 -0.601 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.961 -10.559 -2.339 1.00 25.19 O ATOM 0 H GLU A 34 -6.738 -7.205 -5.403 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.446 -9.202 -4.149 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.572 -6.435 -3.089 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.794 -7.418 -2.306 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.852 -8.333 -2.697 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.461 -7.632 -1.211 1.00 18.75 H new ATOM 556 N GLY A 35 -9.419 -6.853 -6.035 1.00 7.22 N ATOM 557 CA GLY A 35 -10.541 -6.121 -6.559 1.00 6.29 C ATOM 558 C GLY A 35 -10.811 -4.783 -5.948 1.00 6.93 C ATOM 559 O GLY A 35 -11.824 -4.175 -6.361 1.00 7.41 O ATOM 0 H GLY A 35 -8.612 -6.884 -6.658 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.388 -5.982 -7.629 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.434 -6.736 -6.442 1.00 6.29 H new ATOM 563 N ILE A 36 -9.956 -4.269 -5.046 1.00 5.86 N ATOM 564 CA ILE A 36 -10.322 -3.085 -4.359 1.00 6.07 C ATOM 565 C ILE A 36 -9.740 -1.843 -5.046 1.00 6.36 C ATOM 566 O ILE A 36 -8.569 -1.943 -5.416 1.00 6.18 O ATOM 567 CB ILE A 36 -9.701 -3.109 -2.960 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.045 -4.359 -2.143 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.073 -1.845 -2.119 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.072 -4.698 -0.987 1.00 9.49 C ATOM 0 H ILE A 36 -9.046 -4.660 -4.803 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.411 -3.042 -4.339 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.629 -3.120 -3.154 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.044 -4.234 -1.726 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.086 -5.212 -2.820 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.607 -1.912 -1.136 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.716 -0.950 -2.629 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.156 -1.790 -2.005 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.412 -5.600 -0.478 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.073 -4.863 -1.389 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.046 -3.870 -0.279 1.00 9.49 H new ATOM 582 N PRO A 37 -10.486 -0.670 -5.194 1.00 8.65 N ATOM 583 CA PRO A 37 -10.014 0.360 -6.161 1.00 9.18 C ATOM 584 C PRO A 37 -8.863 1.117 -5.633 1.00 9.85 C ATOM 585 O PRO A 37 -8.878 1.228 -4.374 1.00 8.51 O ATOM 586 CB PRO A 37 -11.241 1.314 -6.266 1.00 11.42 C ATOM 587 CG PRO A 37 -12.420 0.388 -6.008 1.00 9.27 C ATOM 588 CD PRO A 37 -11.925 -0.618 -4.982 1.00 8.33 C ATOM 0 HA PRO A 37 -9.688 -0.076 -7.105 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.191 2.118 -5.531 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.304 1.783 -7.248 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.280 0.942 -5.632 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.737 -0.109 -6.925 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.166 -0.302 -3.967 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.384 -1.595 -5.130 1.00 8.33 H new ATOM 596 N PRO A 38 -7.917 1.718 -6.335 1.00 8.71 N ATOM 597 CA PRO A 38 -6.756 2.415 -5.764 1.00 9.08 C ATOM 598 C PRO A 38 -7.211 3.706 -5.112 1.00 9.28 C ATOM 599 O PRO A 38 -6.528 4.129 -4.218 1.00 6.50 O ATOM 600 CB PRO A 38 -5.777 2.575 -6.926 1.00 10.31 C ATOM 601 CG PRO A 38 -6.607 2.450 -8.227 1.00 10.81 C ATOM 602 CD PRO A 38 -7.679 1.489 -7.799 1.00 12.00 C ATOM 0 HA PRO A 38 -6.254 1.876 -4.960 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.275 3.541 -6.879 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.001 1.810 -6.887 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.017 3.408 -8.547 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.015 2.063 -9.057 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.594 1.654 -8.368 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.370 0.460 -7.983 1.00 12.00 H new ATOM 610 N ASP A 39 -8.285 4.338 -5.585 1.00 11.20 N ATOM 611 CA ASP A 39 -8.763 5.578 -4.981 1.00 14.96 C ATOM 612 C ASP A 39 -9.602 5.448 -3.762 1.00 13.99 C ATOM 613 O ASP A 39 -9.855 6.453 -3.057 1.00 13.75 O ATOM 614 CB ASP A 39 -9.475 6.518 -6.042 1.00 24.16 C ATOM 615 CG ASP A 39 -8.543 6.841 -7.096 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.480 7.510 -6.849 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.918 6.563 -8.280 1.00 34.22 O ATOM 0 H ASP A 39 -8.836 4.013 -6.379 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.841 6.041 -4.629 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.351 6.019 -6.456 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.826 7.430 -5.559 1.00 24.16 H new ATOM 622 N GLN A 40 -10.005 4.211 -3.419 1.00 11.60 N ATOM 623 CA GLN A 40 -10.598 3.844 -2.175 1.00 10.76 C ATOM 624 C GLN A 40 -9.576 3.512 -1.090 1.00 8.01 C ATOM 625 O GLN A 40 -9.718 3.911 0.065 1.00 8.96 O ATOM 626 CB GLN A 40 -11.503 2.603 -2.364 1.00 11.14 C ATOM 627 CG GLN A 40 -12.417 2.237 -1.126 1.00 14.85 C ATOM 628 CD GLN A 40 -13.335 1.076 -1.476 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.480 0.109 -0.740 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.092 1.175 -2.624 1.00 18.16 N ATOM 0 H GLN A 40 -9.909 3.418 -4.054 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.169 4.714 -1.851 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.143 2.769 -3.230 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.871 1.745 -2.594 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.795 1.973 -0.271 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.010 3.104 -0.834 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.977 1.978 -3.243 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.767 0.446 -2.854 1.00 18.16 H new ATOM 639 N GLN A 41 -8.481 2.782 -1.505 1.00 6.52 N ATOM 640 CA GLN A 41 -7.373 2.305 -0.650 1.00 3.87 C ATOM 641 C GLN A 41 -6.532 3.470 -0.173 1.00 4.79 C ATOM 642 O GLN A 41 -6.283 4.505 -0.769 1.00 6.34 O ATOM 643 CB GLN A 41 -6.390 1.381 -1.419 1.00 4.20 C ATOM 644 CG GLN A 41 -6.987 -0.005 -1.780 1.00 3.20 C ATOM 645 CD GLN A 41 -5.890 -0.635 -2.648 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.668 -0.713 -2.432 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.339 -1.192 -3.791 1.00 7.13 N ATOM 0 H GLN A 41 -8.359 2.510 -2.481 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.848 1.767 0.170 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.077 1.881 -2.335 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.495 1.235 -0.814 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.191 -0.601 -0.891 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.928 0.089 -2.323 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.333 -1.158 -4.019 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.685 -1.648 -4.427 1.00 7.13 H new ATOM 656 N ARG A 42 -5.979 3.224 1.079 1.00 5.73 N ATOM 657 CA ARG A 42 -5.078 4.029 1.756 1.00 6.97 C ATOM 658 C ARG A 42 -4.044 3.227 2.551 1.00 7.15 C ATOM 659 O ARG A 42 -4.369 2.191 3.130 1.00 7.33 O ATOM 660 CB ARG A 42 -5.780 4.965 2.689 1.00 13.23 C ATOM 661 CG ARG A 42 -6.560 6.042 1.923 1.00 21.27 C ATOM 662 CD ARG A 42 -7.234 7.072 2.820 1.00 26.14 C ATOM 663 NE ARG A 42 -7.737 8.172 1.966 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.808 8.927 2.318 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.664 8.599 3.247 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.996 10.048 1.634 1.00 36.39 N ATOM 0 H ARG A 42 -6.216 2.385 1.609 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.554 4.594 0.985 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.463 4.402 3.325 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.051 5.440 3.346 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.879 6.556 1.244 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.319 5.559 1.308 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.054 6.615 3.373 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.527 7.455 3.556 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.263 8.369 1.084 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.549 7.725 3.761 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.448 9.216 3.459 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.351 10.303 0.886 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.786 10.654 1.856 1.00 36.39 H new ATOM 680 N LEU A 43 -2.752 3.592 2.470 1.00 4.65 N ATOM 681 CA LEU A 43 -1.738 2.730 3.049 1.00 3.51 C ATOM 682 C LEU A 43 -0.977 3.415 4.123 1.00 5.56 C ATOM 683 O LEU A 43 -0.723 4.594 4.022 1.00 4.19 O ATOM 684 CB LEU A 43 -0.711 2.318 1.994 1.00 3.74 C ATOM 685 CG LEU A 43 -1.268 1.155 1.277 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.327 0.932 0.050 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.314 -0.200 2.104 1.00 6.41 C ATOM 0 H LEU A 43 -2.407 4.443 2.027 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.271 1.868 3.450 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.517 3.139 1.304 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.240 2.063 2.461 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.306 1.382 1.035 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.682 0.080 -0.530 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.328 1.824 -0.576 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.687 0.736 0.400 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.740 -0.990 1.485 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.303 -0.478 2.403 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.930 -0.063 2.993 1.00 6.41 H new ATOM 699 N ILE A 44 -0.736 2.662 5.204 1.00 4.58 N ATOM 700 CA ILE A 44 0.009 3.205 6.369 1.00 5.55 C ATOM 701 C ILE A 44 1.296 2.463 6.593 1.00 5.46 C ATOM 702 O ILE A 44 1.311 1.207 6.621 1.00 6.04 O ATOM 703 CB ILE A 44 -0.870 3.210 7.623 1.00 6.80 C ATOM 704 CG1 ILE A 44 -1.960 4.340 7.527 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.013 3.473 8.889 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.003 4.428 8.683 1.00 13.90 C ATOM 0 H ILE A 44 -1.036 1.692 5.305 1.00 4.58 H new ATOM 0 HA ILE A 44 0.273 4.239 6.147 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.359 2.239 7.701 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.446 5.299 7.462 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.504 4.206 6.592 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.617 3.476 9.778 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.764 2.688 8.979 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.508 4.439 8.793 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.693 5.249 8.489 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.560 3.493 8.743 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.486 4.603 9.627 1.00 13.90 H new ATOM 718 N PHE A 45 2.448 3.153 6.698 1.00 6.75 N ATOM 719 CA PHE A 45 3.570 2.467 7.165 1.00 4.70 C ATOM 720 C PHE A 45 4.333 3.363 8.132 1.00 6.34 C ATOM 721 O PHE A 45 4.420 4.552 7.911 1.00 5.45 O ATOM 722 CB PHE A 45 4.559 2.085 6.017 1.00 5.51 C ATOM 723 CG PHE A 45 5.705 1.216 6.535 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.523 -0.140 6.816 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.997 1.775 6.659 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.611 -0.901 7.254 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.050 1.004 7.070 1.00 6.64 C ATOM 728 CZ PHE A 45 7.894 -0.326 7.402 1.00 6.84 C ATOM 0 H PHE A 45 2.582 4.138 6.467 1.00 6.75 H new ATOM 0 HA PHE A 45 3.210 1.554 7.640 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.021 1.551 5.234 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.963 2.991 5.566 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.551 -0.596 6.696 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.154 2.818 6.428 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.469 -1.947 7.483 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.032 1.449 7.136 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.727 -0.910 7.764 1.00 6.84 H new ATOM 738 N ALA A 46 4.740 2.829 9.283 1.00 6.53 N ATOM 739 CA ALA A 46 5.403 3.561 10.430 1.00 7.15 C ATOM 740 C ALA A 46 4.509 4.685 11.018 1.00 9.00 C ATOM 741 O ALA A 46 4.931 5.771 11.362 1.00 11.15 O ATOM 742 CB ALA A 46 6.753 4.148 9.862 1.00 8.99 C ATOM 0 H ALA A 46 4.625 1.834 9.478 1.00 6.53 H new ATOM 0 HA ALA A 46 5.581 2.875 11.258 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.275 4.689 10.651 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.382 3.333 9.503 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.536 4.828 9.038 1.00 8.99 H new ATOM 748 N GLY A 47 3.233 4.382 11.235 1.00 9.35 N ATOM 749 CA GLY A 47 2.257 5.305 11.769 1.00 11.68 C ATOM 750 C GLY A 47 1.866 6.472 10.900 1.00 11.14 C ATOM 751 O GLY A 47 1.049 7.353 11.213 1.00 13.93 O ATOM 0 H GLY A 47 2.846 3.460 11.036 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.354 4.742 12.006 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.643 5.698 12.709 1.00 11.68 H new ATOM 755 N LYS A 48 2.385 6.511 9.673 1.00 10.47 N ATOM 756 CA LYS A 48 2.228 7.612 8.742 1.00 8.82 C ATOM 757 C LYS A 48 1.542 7.169 7.466 1.00 7.68 C ATOM 758 O LYS A 48 1.920 6.213 6.784 1.00 6.47 O ATOM 759 CB LYS A 48 3.604 8.126 8.267 1.00 9.74 C ATOM 760 CG LYS A 48 3.675 9.192 7.130 1.00 14.14 C ATOM 761 CD LYS A 48 5.097 9.530 6.696 1.00 16.32 C ATOM 762 CE LYS A 48 5.870 10.415 7.720 1.00 20.04 C ATOM 763 NZ LYS A 48 7.228 10.599 7.263 1.00 23.92 N ATOM 0 H LYS A 48 2.944 5.747 9.293 1.00 10.47 H new ATOM 0 HA LYS A 48 1.653 8.368 9.277 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.116 8.540 9.136 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.181 7.261 7.940 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.118 8.828 6.267 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.181 10.103 7.467 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.650 8.604 6.540 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.062 10.046 5.737 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.377 11.381 7.828 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.866 9.943 8.702 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.747 11.189 7.944 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.695 9.673 7.181 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.221 11.067 6.334 1.00 23.92 H new ATOM 777 N GLN A 49 0.362 7.737 7.102 1.00 8.89 N ATOM 778 CA GLN A 49 -0.327 7.470 5.844 1.00 7.18 C ATOM 779 C GLN A 49 0.517 7.918 4.647 1.00 8.23 C ATOM 780 O GLN A 49 1.074 8.965 4.697 1.00 9.70 O ATOM 781 CB GLN A 49 -1.736 8.076 5.831 1.00 11.67 C ATOM 782 CG GLN A 49 -2.746 7.418 4.917 1.00 15.82 C ATOM 783 CD GLN A 49 -4.103 8.151 4.893 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.040 7.628 5.466 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.187 9.352 4.344 1.00 20.67 N ATOM 0 H GLN A 49 -0.133 8.403 7.696 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.457 6.391 5.754 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.128 8.049 6.848 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.653 9.126 5.549 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.342 7.380 3.905 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.901 6.388 5.238 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.377 9.755 3.872 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.061 9.875 4.392 1.00 20.67 H new ATOM 794 N LEU A 50 0.678 7.056 3.607 1.00 6.51 N ATOM 795 CA LEU A 50 1.602 7.313 2.527 1.00 7.41 C ATOM 796 C LEU A 50 0.839 7.807 1.353 1.00 8.27 C ATOM 797 O LEU A 50 -0.324 7.504 1.036 1.00 8.34 O ATOM 798 CB LEU A 50 2.413 6.082 2.170 1.00 7.13 C ATOM 799 CG LEU A 50 3.052 5.273 3.318 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.926 4.124 2.792 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.908 6.182 4.318 1.00 9.11 C ATOM 0 H LEU A 50 0.165 6.179 3.516 1.00 6.51 H new ATOM 0 HA LEU A 50 2.316 8.071 2.848 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.766 5.409 1.608 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.212 6.393 1.497 1.00 7.13 H new ATOM 0 HG LEU A 50 2.215 4.855 3.878 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.357 3.580 3.633 1.00 8.14 H new ATOM 0 HD12 LEU A 50 3.315 3.446 2.196 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.727 4.530 2.174 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.333 5.558 5.104 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.713 6.670 3.768 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.263 6.939 4.764 1.00 9.11 H new ATOM 813 N GLU A 51 1.514 8.715 0.624 1.00 9.43 N ATOM 814 CA GLU A 51 0.991 9.545 -0.446 1.00 11.90 C ATOM 815 C GLU A 51 1.122 8.859 -1.802 1.00 11.49 C ATOM 816 O GLU A 51 2.200 8.238 -2.042 1.00 9.88 O ATOM 817 CB GLU A 51 1.630 10.880 -0.539 1.00 16.56 C ATOM 818 CG GLU A 51 1.426 11.738 0.739 1.00 26.06 C ATOM 819 CD GLU A 51 -0.025 12.039 1.029 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.743 12.746 0.278 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.501 11.438 2.029 1.00 33.44 O ATOM 0 H GLU A 51 2.505 8.890 0.788 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.058 9.690 -0.189 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.698 10.754 -0.720 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.222 11.413 -1.398 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.859 11.216 1.592 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.970 12.676 0.629 1.00 26.06 H new ATOM 828 N ASP A 52 0.180 9.066 -2.698 1.00 12.71 N ATOM 829 CA ASP A 52 -0.011 8.482 -4.060 1.00 16.56 C ATOM 830 C ASP A 52 1.253 8.607 -5.021 1.00 15.83 C ATOM 831 O ASP A 52 1.623 7.652 -5.631 1.00 17.21 O ATOM 832 CB ASP A 52 -1.316 8.901 -4.784 1.00 21.05 C ATOM 833 CG ASP A 52 -2.504 8.787 -3.913 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.581 7.776 -3.090 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.409 9.626 -3.968 1.00 28.37 O ATOM 0 H ASP A 52 -0.573 9.722 -2.489 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.125 7.422 -3.832 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.221 9.930 -5.132 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.455 8.277 -5.667 1.00 21.05 H new ATOM 840 N GLY A 53 1.842 9.815 -5.059 1.00 15.00 N ATOM 841 CA GLY A 53 2.971 10.033 -5.982 1.00 11.77 C ATOM 842 C GLY A 53 4.324 9.740 -5.355 1.00 11.10 C ATOM 843 O GLY A 53 5.352 9.905 -6.022 1.00 11.25 O ATOM 0 H GLY A 53 1.573 10.619 -4.492 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.841 9.401 -6.860 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.954 11.067 -6.328 1.00 11.77 H new ATOM 847 N ARG A 54 4.339 9.321 -4.099 1.00 8.53 N ATOM 848 CA ARG A 54 5.527 8.929 -3.401 1.00 9.05 C ATOM 849 C ARG A 54 5.869 7.402 -3.573 1.00 8.96 C ATOM 850 O ARG A 54 5.066 6.637 -3.985 1.00 11.60 O ATOM 851 CB ARG A 54 5.433 9.252 -1.848 1.00 7.97 C ATOM 852 CG ARG A 54 5.351 10.788 -1.572 1.00 9.62 C ATOM 853 CD ARG A 54 6.693 11.462 -1.805 1.00 12.20 C ATOM 854 NE ARG A 54 6.528 12.878 -1.431 1.00 18.23 N ATOM 855 CZ ARG A 54 7.563 13.579 -1.014 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.805 13.155 -0.912 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.291 14.877 -0.730 1.00 23.38 N ATOM 0 H ARG A 54 3.494 9.247 -3.532 1.00 8.53 H new ATOM 0 HA ARG A 54 6.326 9.516 -3.854 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.555 8.761 -1.428 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.303 8.838 -1.339 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.599 11.237 -2.220 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.029 10.959 -0.545 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.471 10.992 -1.204 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.996 11.370 -2.848 1.00 12.20 H new ATOM 0 HE ARG A 54 5.609 13.317 -1.495 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.039 12.196 -1.169 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.533 13.785 -0.576 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.344 15.237 -0.846 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.034 15.493 -0.401 1.00 23.38 H new ATOM 871 N THR A 55 7.111 7.007 -3.278 1.00 9.05 N ATOM 872 CA THR A 55 7.658 5.710 -3.583 1.00 9.03 C ATOM 873 C THR A 55 8.119 5.093 -2.229 1.00 8.15 C ATOM 874 O THR A 55 8.385 5.669 -1.166 1.00 5.91 O ATOM 875 CB THR A 55 8.806 5.727 -4.544 1.00 11.15 C ATOM 876 OG1 THR A 55 9.979 6.316 -4.020 1.00 11.95 O ATOM 877 CG2 THR A 55 8.416 6.400 -5.888 1.00 11.71 C ATOM 0 H THR A 55 7.777 7.616 -2.802 1.00 9.05 H new ATOM 0 HA THR A 55 6.884 5.126 -4.081 1.00 9.03 H new ATOM 0 HB THR A 55 9.041 4.679 -4.728 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.687 6.293 -4.697 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.274 6.394 -6.560 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.593 5.850 -6.345 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.107 7.429 -5.703 1.00 11.71 H new ATOM 885 N LEU A 56 8.228 3.736 -2.189 1.00 6.91 N ATOM 886 CA LEU A 56 8.727 2.944 -1.145 1.00 8.29 C ATOM 887 C LEU A 56 10.091 3.313 -0.628 1.00 8.05 C ATOM 888 O LEU A 56 10.393 3.250 0.541 1.00 10.17 O ATOM 889 CB LEU A 56 8.608 1.466 -1.603 1.00 6.60 C ATOM 890 CG LEU A 56 7.276 0.852 -2.099 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.364 -0.586 -2.551 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.142 1.004 -1.040 1.00 8.64 C ATOM 0 H LEU A 56 7.929 3.165 -2.980 1.00 6.91 H new ATOM 0 HA LEU A 56 8.122 3.126 -0.257 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.332 1.329 -2.406 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.941 0.853 -0.766 1.00 6.60 H new ATOM 0 HG LEU A 56 7.033 1.434 -2.988 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.381 -0.925 -2.879 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.070 -0.665 -3.378 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.704 -1.208 -1.723 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.223 0.561 -1.425 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.432 0.496 -0.120 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.976 2.061 -0.834 1.00 8.64 H new ATOM 904 N SER A 57 10.984 3.715 -1.549 1.00 8.92 N ATOM 905 CA SER A 57 12.325 4.330 -1.374 1.00 9.00 C ATOM 906 C SER A 57 12.323 5.540 -0.520 1.00 9.44 C ATOM 907 O SER A 57 13.215 5.776 0.309 1.00 10.91 O ATOM 908 CB SER A 57 13.005 4.587 -2.721 1.00 10.32 C ATOM 909 OG SER A 57 13.522 3.320 -3.174 1.00 13.59 O ATOM 0 H SER A 57 10.768 3.609 -2.540 1.00 8.92 H new ATOM 0 HA SER A 57 12.918 3.594 -0.831 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.295 4.995 -3.441 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.808 5.317 -2.616 1.00 10.32 H new ATOM 0 HG SER A 57 13.967 3.439 -4.039 1.00 13.59 H new ATOM 915 N ASP A 58 11.336 6.435 -0.778 1.00 9.11 N ATOM 916 CA ASP A 58 11.124 7.761 -0.120 1.00 7.91 C ATOM 917 C ASP A 58 10.796 7.543 1.391 1.00 9.12 C ATOM 918 O ASP A 58 11.355 8.237 2.233 1.00 8.61 O ATOM 919 CB ASP A 58 10.000 8.536 -0.887 1.00 8.41 C ATOM 920 CG ASP A 58 10.063 10.028 -0.593 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.205 10.452 0.613 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.053 10.806 -1.539 1.00 10.05 O ATOM 0 H ASP A 58 10.627 6.247 -1.486 1.00 9.11 H new ATOM 0 HA ASP A 58 12.026 8.371 -0.163 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.106 8.369 -1.959 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.024 8.146 -0.598 1.00 8.41 H new ATOM 927 N TYR A 59 10.117 6.496 1.670 1.00 7.97 N ATOM 928 CA TYR A 59 9.753 6.147 3.008 1.00 8.45 C ATOM 929 C TYR A 59 10.741 5.213 3.629 1.00 10.98 C ATOM 930 O TYR A 59 10.546 4.842 4.772 1.00 12.95 O ATOM 931 CB TYR A 59 8.353 5.479 2.937 1.00 7.94 C ATOM 932 CG TYR A 59 7.384 6.522 2.503 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.161 7.679 3.263 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.665 6.373 1.295 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.185 8.637 2.825 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.592 7.183 0.949 1.00 6.52 C ATOM 937 CZ TYR A 59 5.429 8.370 1.669 1.00 6.76 C ATOM 938 OH TYR A 59 4.457 9.347 1.341 1.00 7.63 O ATOM 0 H TYR A 59 9.786 5.836 0.966 1.00 7.97 H new ATOM 0 HA TYR A 59 9.738 7.041 3.632 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.360 4.646 2.234 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.071 5.074 3.909 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.720 7.849 4.172 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.964 5.593 0.610 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.033 9.553 3.377 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.912 6.908 0.157 1.00 6.52 H new ATOM 0 HH TYR A 59 4.760 10.226 1.650 1.00 7.63 H new ATOM 948 N ASN A 60 11.810 4.815 2.910 1.00 12.38 N ATOM 949 CA ASN A 60 12.867 3.953 3.424 1.00 13.94 C ATOM 950 C ASN A 60 12.385 2.491 3.598 1.00 14.16 C ATOM 951 O ASN A 60 12.763 1.778 4.560 1.00 14.26 O ATOM 952 CB ASN A 60 13.527 4.479 4.754 1.00 19.23 C ATOM 953 CG ASN A 60 14.338 5.717 4.468 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.830 6.843 4.511 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.669 5.547 4.287 1.00 24.09 N ATOM 0 H ASN A 60 11.955 5.094 1.940 1.00 12.38 H new ATOM 0 HA ASN A 60 13.646 3.976 2.662 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.755 4.701 5.490 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.165 3.707 5.184 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.277 6.359 4.182 1.00 24.09 H new ATOM 0 HD22 ASN A 60 16.063 4.607 4.255 1.00 24.09 H new ATOM 962 N ILE A 61 11.485 1.974 2.784 1.00 11.08 N ATOM 963 CA ILE A 61 10.891 0.666 3.098 1.00 11.78 C ATOM 964 C ILE A 61 11.608 -0.473 2.413 1.00 13.74 C ATOM 965 O ILE A 61 11.698 -0.496 1.202 1.00 14.60 O ATOM 966 CB ILE A 61 9.423 0.573 2.691 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.569 1.705 3.216 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.740 -0.775 3.294 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.040 1.615 2.902 1.00 11.42 C ATOM 0 H ILE A 61 11.150 2.413 1.926 1.00 11.08 H new ATOM 0 HA ILE A 61 10.987 0.580 4.180 1.00 11.78 H new ATOM 0 HB ILE A 61 9.448 0.594 1.601 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.695 1.757 4.297 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.949 2.641 2.806 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.694 -0.820 2.991 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.266 -1.651 2.914 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.802 -0.759 4.382 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.530 2.479 3.327 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.891 1.600 1.822 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.632 0.703 3.337 1.00 11.42 H new ATOM 981 N GLN A 62 12.015 -1.496 3.154 1.00 13.97 N ATOM 982 CA GLN A 62 12.722 -2.651 2.584 1.00 15.52 C ATOM 983 C GLN A 62 11.861 -3.819 2.533 1.00 13.94 C ATOM 984 O GLN A 62 10.791 -3.885 3.124 1.00 12.15 O ATOM 985 CB GLN A 62 13.996 -2.839 3.437 1.00 19.53 C ATOM 986 CG GLN A 62 13.795 -3.305 4.903 1.00 26.38 C ATOM 987 CD GLN A 62 15.095 -3.591 5.697 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.988 -4.303 5.151 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.263 -3.091 6.907 1.00 32.71 N ATOM 0 H GLN A 62 11.869 -1.555 4.162 1.00 13.97 H new ATOM 0 HA GLN A 62 13.008 -2.490 1.545 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.637 -3.564 2.935 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.537 -1.893 3.453 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.227 -2.541 5.434 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.187 -4.209 4.898 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.531 -2.520 7.329 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.125 -3.276 7.420 1.00 32.71 H new ATOM 998 N LYS A 63 12.369 -4.789 1.734 1.00 11.73 N ATOM 999 CA LYS A 63 11.851 -6.153 1.728 1.00 11.97 C ATOM 1000 C LYS A 63 11.340 -6.743 3.110 1.00 10.41 C ATOM 1001 O LYS A 63 11.851 -6.511 4.250 1.00 9.59 O ATOM 1002 CB LYS A 63 12.885 -7.101 1.009 1.00 13.73 C ATOM 1003 CG LYS A 63 14.250 -7.283 1.665 1.00 16.98 C ATOM 1004 CD LYS A 63 15.228 -7.967 0.731 1.00 20.19 C ATOM 1005 CE LYS A 63 16.489 -8.223 1.570 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.541 -8.753 0.758 1.00 25.97 N ATOM 0 H LYS A 63 13.142 -4.637 1.086 1.00 11.73 H new ATOM 0 HA LYS A 63 10.921 -6.101 1.163 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.426 -8.085 0.909 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.045 -6.720 0.000 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.646 -6.311 1.960 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.142 -7.872 2.575 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.816 -8.900 0.347 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.452 -7.339 -0.131 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.816 -7.293 2.036 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.260 -8.920 2.376 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.383 -8.918 1.345 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.233 -9.651 0.334 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.773 -8.075 0.004 1.00 25.97 H new ATOM 1020 N GLU A 64 10.237 -7.532 3.063 1.00 10.04 N ATOM 1021 CA GLU A 64 9.591 -8.337 4.010 1.00 10.94 C ATOM 1022 C GLU A 64 8.734 -7.521 5.053 1.00 9.74 C ATOM 1023 O GLU A 64 8.214 -7.949 6.116 1.00 9.42 O ATOM 1024 CB GLU A 64 10.553 -9.280 4.783 1.00 18.31 C ATOM 1025 CG GLU A 64 11.401 -10.331 3.978 1.00 24.16 C ATOM 1026 CD GLU A 64 10.801 -11.698 3.826 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.736 -12.414 4.899 1.00 31.72 O ATOM 1028 OE2 GLU A 64 10.516 -12.145 2.706 1.00 32.61 O ATOM 0 H GLU A 64 9.730 -7.591 2.180 1.00 10.04 H new ATOM 0 HA GLU A 64 8.918 -8.944 3.405 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.249 -8.654 5.341 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.959 -9.828 5.515 1.00 18.31 H new ATOM 0 HG2 GLU A 64 11.589 -9.928 2.983 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.369 -10.436 4.468 1.00 24.16 H new ATOM 1035 N SER A 65 8.589 -6.219 4.709 1.00 6.85 N ATOM 1036 CA SER A 65 7.813 -5.312 5.543 1.00 6.90 C ATOM 1037 C SER A 65 6.303 -5.601 5.624 1.00 4.72 C ATOM 1038 O SER A 65 5.728 -5.999 4.611 1.00 3.91 O ATOM 1039 CB SER A 65 7.951 -3.813 5.083 1.00 7.28 C ATOM 1040 OG SER A 65 9.251 -3.327 5.280 1.00 10.56 O ATOM 0 H SER A 65 8.995 -5.794 3.875 1.00 6.85 H new ATOM 0 HA SER A 65 8.249 -5.484 6.527 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.688 -3.730 4.029 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.244 -3.196 5.637 1.00 7.28 H new ATOM 0 HG SER A 65 9.800 -3.535 4.496 1.00 10.56 H new ATOM 1046 N THR A 66 5.703 -5.214 6.772 1.00 4.48 N ATOM 1047 CA THR A 66 4.307 -5.286 7.018 1.00 3.80 C ATOM 1048 C THR A 66 3.819 -3.853 6.811 1.00 4.60 C ATOM 1049 O THR A 66 4.086 -2.948 7.575 1.00 5.33 O ATOM 1050 CB THR A 66 3.883 -5.764 8.415 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.421 -7.055 8.660 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.368 -5.926 8.504 1.00 3.40 C ATOM 0 H THR A 66 6.227 -4.834 7.560 1.00 4.48 H new ATOM 0 HA THR A 66 3.877 -6.036 6.353 1.00 3.80 H new ATOM 0 HB THR A 66 4.239 -5.022 9.130 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.151 -7.358 9.552 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.096 -6.265 9.504 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.887 -4.969 8.303 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.037 -6.660 7.769 1.00 3.40 H new ATOM 1060 N LEU A 67 2.927 -3.705 5.789 1.00 4.17 N ATOM 1061 CA LEU A 67 2.201 -2.492 5.529 1.00 3.85 C ATOM 1062 C LEU A 67 0.762 -2.752 6.029 1.00 3.80 C ATOM 1063 O LEU A 67 0.271 -3.846 6.128 1.00 5.54 O ATOM 1064 CB LEU A 67 2.201 -2.253 3.985 1.00 7.18 C ATOM 1065 CG LEU A 67 3.509 -1.488 3.462 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.824 -2.322 3.620 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.281 -1.148 1.932 1.00 11.66 C ATOM 0 H LEU A 67 2.711 -4.454 5.131 1.00 4.17 H new ATOM 0 HA LEU A 67 2.633 -1.620 6.020 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.122 -3.213 3.476 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.318 -1.675 3.714 1.00 7.18 H new ATOM 0 HG LEU A 67 3.644 -0.592 4.069 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.669 -1.744 3.246 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.982 -2.556 4.673 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.738 -3.248 3.051 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.154 -0.625 1.541 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.131 -2.071 1.373 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.401 -0.513 1.828 1.00 11.66 H new ATOM 1079 N HIS A 68 0.052 -1.588 6.337 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.247 -1.535 6.949 1.00 4.17 C ATOM 1081 C HIS A 68 -2.196 -0.844 6.020 1.00 5.32 C ATOM 1082 O HIS A 68 -1.887 0.206 5.402 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.248 -0.769 8.281 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.668 -1.547 9.375 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.534 -1.043 10.640 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.071 -2.783 9.363 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.200 -1.932 11.301 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.591 -3.004 10.515 1.00 16.30 N ATOM 0 H HIS A 68 0.427 -0.661 6.138 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.547 -2.564 7.149 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.689 0.159 8.163 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.271 -0.494 8.538 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.125 -3.483 8.542 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.464 -1.830 12.343 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.223 -3.770 10.750 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.340 -1.502 5.748 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.267 -1.112 4.691 1.00 3.97 C ATOM 1098 C LEU A 69 -5.513 -0.665 5.403 1.00 5.07 C ATOM 1099 O LEU A 69 -6.070 -1.408 6.226 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.568 -2.307 3.700 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.632 -2.059 2.574 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.150 -0.929 1.639 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.822 -3.351 1.767 1.00 9.96 C ATOM 0 H LEU A 69 -3.641 -2.327 6.267 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.849 -0.321 4.068 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.631 -2.592 3.221 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.897 -3.161 4.292 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.580 -1.766 3.026 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.892 -0.761 0.859 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.015 -0.013 2.215 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.202 -1.214 1.182 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.561 -3.185 0.983 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.873 -3.641 1.316 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.168 -4.146 2.428 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.973 0.547 5.063 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.252 1.113 5.546 1.00 6.26 C ATOM 1117 C VAL A 70 -8.063 1.460 4.240 1.00 9.22 C ATOM 1118 O VAL A 70 -7.507 1.805 3.209 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.034 2.361 6.286 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.353 2.793 7.041 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.829 2.195 7.234 1.00 8.54 C ATOM 0 H VAL A 70 -5.466 1.174 4.438 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.760 0.412 6.209 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.796 3.168 5.593 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.174 3.720 7.585 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.153 2.946 6.317 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.643 2.011 7.743 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.668 3.123 7.783 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.028 1.387 7.937 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.938 1.958 6.652 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.384 1.285 4.313 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.233 1.495 3.120 1.00 16.06 C ATOM 1133 C LEU A 71 -11.240 2.598 3.456 1.00 18.09 C ATOM 1134 O LEU A 71 -12.035 2.552 4.405 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.060 0.256 2.665 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.197 -1.013 2.382 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.133 -2.063 1.951 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.121 -0.740 1.289 1.00 19.57 C ATOM 0 H LEU A 71 -9.886 1.006 5.156 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.550 1.736 2.305 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.794 0.019 3.435 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.615 0.514 1.763 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.650 -1.315 3.275 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.580 -2.978 1.739 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.857 -2.252 2.743 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.656 -1.738 1.051 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.539 -1.645 1.118 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.611 -0.443 0.362 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.459 0.060 1.622 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.250 3.656 2.628 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.278 4.705 2.626 1.00 25.83 C ATOM 1152 C ARG A 72 -13.720 4.301 2.601 1.00 27.74 C ATOM 1153 O ARG A 72 -14.105 3.400 1.851 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.995 5.708 1.471 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.762 7.031 1.447 1.00 31.79 C ATOM 1156 CD ARG A 72 -12.151 8.075 0.562 1.00 34.05 C ATOM 1157 NE ARG A 72 -12.957 9.303 0.626 1.00 35.08 N ATOM 1158 CZ ARG A 72 -12.527 10.515 0.170 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.332 10.640 -0.374 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -13.314 11.555 0.369 1.00 35.02 N ATOM 0 H ARG A 72 -10.526 3.807 1.926 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.172 5.148 3.616 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.931 5.943 1.489 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.192 5.194 0.530 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.783 6.841 1.116 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.824 7.422 2.463 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -11.128 8.281 0.877 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -12.101 7.713 -0.465 1.00 34.05 H new ATOM 0 HE ARG A 72 -13.890 9.246 1.034 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.722 9.827 -0.456 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -11.018 11.550 -0.712 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -14.206 11.435 0.848 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -13.030 12.479 0.044 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.690 4.917 3.382 1.00 28.93 N ATOM 1175 CA LEU A 73 -16.095 4.782 3.300 1.00 30.76 C ATOM 1176 C LEU A 73 -16.760 5.596 2.168 1.00 32.18 C ATOM 1177 O LEU A 73 -16.340 6.692 1.858 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.567 5.250 4.659 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.978 4.596 5.917 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.536 5.326 7.199 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.206 3.081 5.969 1.00 29.11 C ATOM 0 H LEU A 73 -14.423 5.560 4.127 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.371 3.757 3.054 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.374 6.321 4.724 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.648 5.118 4.695 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.895 4.718 5.884 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.118 4.862 8.093 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.253 6.378 7.170 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.623 5.243 7.221 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.767 2.678 6.882 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.276 2.874 5.959 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.738 2.613 5.103 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.773 5.091 1.490 1.00 33.82 N ATOM 1194 CA ARG A 74 -18.346 5.748 0.321 1.00 35.33 C ATOM 1195 C ARG A 74 -19.020 7.057 0.729 1.00 36.22 C ATOM 1196 O ARG A 74 -19.088 8.007 -0.053 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.299 4.879 -0.542 1.00 36.91 C ATOM 1198 CG ARG A 74 -20.125 5.538 -1.668 1.00 38.62 C ATOM 1199 CD ARG A 74 -19.379 5.887 -2.987 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.765 7.239 -2.859 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.956 7.713 -3.794 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.548 6.956 -4.809 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.545 8.980 -3.811 1.00 41.93 N ATOM 0 H ARG A 74 -18.227 4.210 1.732 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.498 5.945 -0.335 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.699 4.091 -0.997 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -20.001 4.394 0.136 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -20.952 4.872 -1.914 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -20.561 6.456 -1.274 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.609 5.143 -3.192 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -20.073 5.867 -3.827 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.971 7.808 -2.038 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.859 5.987 -4.880 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -16.925 7.345 -5.517 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.854 9.626 -3.085 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.921 9.304 -4.550 1.00 41.93 H new ATOM 1217 N GLY A 75 -19.560 7.133 1.979 1.00 36.31 N ATOM 1218 CA GLY A 75 -20.082 8.341 2.533 1.00 36.07 C ATOM 1219 C GLY A 75 -19.071 9.318 2.957 1.00 36.16 C ATOM 1220 O GLY A 75 -19.471 10.458 3.167 1.00 36.26 O ATOM 0 H GLY A 75 -19.629 6.332 2.606 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -20.732 8.811 1.794 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -20.705 8.090 3.391 1.00 36.07 H new ATOM 1224 N GLY A 76 -17.822 8.977 3.001 1.00 36.05 N ATOM 1225 CA GLY A 76 -16.761 9.753 3.598 1.00 36.19 C ATOM 1226 C GLY A 76 -15.668 10.066 2.599 1.00 36.20 C ATOM 1227 O GLY A 76 -14.540 9.491 2.771 1.00 0.00 O ATOM 1228 OXT GLY A 76 -15.863 10.859 1.651 1.00 0.00 O ATOM 0 H GLY A 76 -17.488 8.101 2.600 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -17.169 10.683 3.995 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -16.339 9.205 4.440 1.00 36.19 H new TER 1232 GLY A 76