USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 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 -36:sc= 0.27 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.934 K(o=1.2,f=-5.1!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 150:sc= 0.823 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 145:sc= 0.311 USER MOD Single : A 1 MET CE :methyl 147:sc= -0.063 (180deg=-0.279) USER MOD Single : A 1 MET N :NH3+ 172:sc= 2.47 (180deg=2.41) USER MOD Single : A 2 GLN :FLIP amide:sc= 0.896 F(o=-0.0073,f=0.9) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -125:sc= 0.926 (180deg=-0.911!) USER MOD Single : A 14 THR OG1 : rot -82:sc= 0.0361 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= 1.67 (180deg=1.27) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= 1.25 (180deg=0.926) USER MOD Single : A 31 GLN : amide:sc= -0.568 X(o=-0.57,f=-0.58) USER MOD Single : A 33 LYS NZ :NH3+ -170:sc= -0.0122 (180deg=-0.155) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 41 GLN : amide:sc= 0.105 K(o=0.11,f=-0.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -76:sc= 1.22 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.822 USER MOD Single : A 60 ASN : amide:sc= -0.0464 X(o=-0.046,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.0189 X(o=0.019,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -131:sc= 0.158 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.386 -6.739 -5.121 1.00 9.67 N ATOM 2 CA MET A 1 11.353 -7.109 -3.680 1.00 10.38 C ATOM 3 C MET A 1 9.957 -7.483 -3.124 1.00 9.62 C ATOM 4 O MET A 1 8.880 -7.110 -3.579 1.00 9.62 O ATOM 5 CB MET A 1 11.862 -5.883 -2.885 1.00 13.77 C ATOM 6 CG MET A 1 10.884 -4.719 -2.757 1.00 16.29 C ATOM 7 SD MET A 1 11.593 -3.556 -1.518 1.00 17.17 S ATOM 8 CE MET A 1 10.154 -2.509 -1.227 1.00 16.11 C ATOM 0 H1 MET A 1 12.330 -6.377 -5.365 1.00 9.67 H new ATOM 0 H2 MET A 1 11.177 -7.577 -5.700 1.00 9.67 H new ATOM 0 H3 MET A 1 10.674 -6.004 -5.307 1.00 9.67 H new ATOM 0 HA MET A 1 11.968 -8.002 -3.573 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.137 -6.213 -1.883 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.772 -5.517 -3.362 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.747 -4.223 -3.718 1.00 16.29 H new ATOM 0 HG3 MET A 1 9.903 -5.072 -2.438 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.154 -2.171 -0.191 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.193 -1.645 -1.890 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.245 -3.077 -1.424 1.00 16.11 H new ATOM 20 N GLN A 2 9.891 -8.351 -2.056 1.00 9.27 N ATOM 21 CA GLN A 2 8.633 -8.789 -1.514 1.00 9.07 C ATOM 22 C GLN A 2 8.110 -7.886 -0.391 1.00 8.72 C ATOM 23 O GLN A 2 8.921 -7.439 0.434 1.00 8.22 O ATOM 24 CB GLN A 2 8.836 -10.191 -0.837 1.00 14.46 C ATOM 25 CG GLN A 2 7.494 -10.800 -0.344 1.00 17.01 C ATOM 26 CD GLN A 2 7.615 -12.267 0.010 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.634 -13.104 -1.074 1.00 21.89 O flip ATOM 28 NE2 GLN A 2 7.717 -12.777 1.129 1.00 19.49 N flip ATOM 0 H GLN A 2 10.709 -8.736 -1.584 1.00 9.27 H new ATOM 0 HA GLN A 2 7.931 -8.790 -2.348 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.304 -10.872 -1.548 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.520 -10.091 0.006 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.147 -10.247 0.529 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.738 -10.678 -1.119 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.707 -12.187 1.961 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.811 -13.788 1.222 1.00 19.49 H new ATOM 37 N ILE A 3 6.777 -7.672 -0.267 1.00 5.87 N ATOM 38 CA ILE A 3 6.202 -6.940 0.854 1.00 5.07 C ATOM 39 C ILE A 3 4.854 -7.440 1.289 1.00 4.01 C ATOM 40 O ILE A 3 4.036 -7.867 0.481 1.00 4.61 O ATOM 41 CB ILE A 3 6.021 -5.411 0.639 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.193 -5.111 -0.615 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.429 -4.765 0.577 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.685 -3.670 -0.535 1.00 10.83 C ATOM 0 H ILE A 3 6.088 -8.004 -0.942 1.00 5.87 H new ATOM 0 HA ILE A 3 6.963 -7.122 1.613 1.00 5.07 H new ATOM 0 HB ILE A 3 5.462 -4.982 1.471 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.800 -5.249 -1.510 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.355 -5.804 -0.689 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.330 -3.690 0.426 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.957 -4.953 1.512 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.991 -5.197 -0.251 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.094 -3.443 -1.422 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.066 -3.551 0.354 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.533 -2.988 -0.480 1.00 10.83 H new ATOM 56 N PHE A 4 4.626 -7.388 2.641 1.00 4.55 N ATOM 57 CA PHE A 4 3.381 -7.823 3.202 1.00 4.68 C ATOM 58 C PHE A 4 2.422 -6.695 3.504 1.00 5.30 C ATOM 59 O PHE A 4 2.805 -5.541 3.819 1.00 5.58 O ATOM 60 CB PHE A 4 3.681 -8.547 4.543 1.00 4.83 C ATOM 61 CG PHE A 4 4.644 -9.672 4.340 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.433 -10.681 3.340 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.928 -9.658 5.013 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.385 -11.704 3.144 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.854 -10.695 4.800 1.00 10.61 C ATOM 66 CZ PHE A 4 6.582 -11.739 3.850 1.00 8.90 C ATOM 0 H PHE A 4 5.303 -7.047 3.323 1.00 4.55 H new ATOM 0 HA PHE A 4 2.909 -8.468 2.460 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.092 -7.836 5.260 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.754 -8.930 4.969 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.540 -10.657 2.734 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.175 -8.847 5.682 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.178 -12.482 2.425 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.780 -10.707 5.356 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.294 -12.535 3.688 1.00 8.90 H new ATOM 76 N VAL A 5 1.115 -6.943 3.322 1.00 4.44 N ATOM 77 CA VAL A 5 0.149 -5.893 3.552 1.00 3.87 C ATOM 78 C VAL A 5 -0.882 -6.642 4.404 1.00 4.93 C ATOM 79 O VAL A 5 -1.508 -7.603 3.929 1.00 6.84 O ATOM 80 CB VAL A 5 -0.463 -5.187 2.358 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.216 -3.911 2.914 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.662 -4.740 1.376 1.00 9.13 C ATOM 0 H VAL A 5 0.725 -7.838 3.025 1.00 4.44 H new ATOM 0 HA VAL A 5 0.623 -5.023 4.006 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.146 -5.847 1.823 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.674 -3.369 2.086 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -1.989 -4.222 3.616 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.504 -3.261 3.423 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.217 -4.233 0.520 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.342 -4.059 1.888 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.214 -5.615 1.033 1.00 9.13 H new ATOM 92 N LYS A 6 -1.129 -6.141 5.647 1.00 6.04 N ATOM 93 CA LYS A 6 -2.168 -6.516 6.564 1.00 6.12 C ATOM 94 C LYS A 6 -3.334 -5.591 6.550 1.00 6.57 C ATOM 95 O LYS A 6 -3.259 -4.416 6.162 1.00 5.76 O ATOM 96 CB LYS A 6 -1.669 -6.889 7.954 1.00 7.45 C ATOM 97 CG LYS A 6 -0.780 -8.115 8.072 1.00 11.12 C ATOM 98 CD LYS A 6 -0.406 -8.378 9.543 1.00 14.54 C ATOM 99 CE LYS A 6 0.763 -9.318 9.856 1.00 18.84 C ATOM 100 NZ LYS A 6 0.381 -10.649 9.439 1.00 20.55 N ATOM 0 H LYS A 6 -0.540 -5.405 6.036 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.562 -7.455 6.175 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.122 -6.036 8.355 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.538 -7.040 8.594 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.294 -8.984 7.662 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.125 -7.972 7.482 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.186 -7.415 10.004 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.290 -8.775 10.041 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.663 -8.997 9.332 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.992 -9.302 10.922 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.229 -11.180 9.154 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.086 -11.139 10.228 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.274 -10.586 8.634 1.00 20.55 H new ATOM 114 N THR A 7 -4.480 -6.151 7.029 1.00 7.41 N ATOM 115 CA THR A 7 -5.811 -5.483 6.965 1.00 7.48 C ATOM 116 C THR A 7 -6.495 -5.771 8.300 1.00 8.75 C ATOM 117 O THR A 7 -6.293 -6.810 8.932 1.00 8.58 O ATOM 118 CB THR A 7 -6.733 -5.959 5.801 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.076 -7.306 5.849 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.912 -5.833 4.529 1.00 9.17 C ATOM 0 H THR A 7 -4.507 -7.072 7.467 1.00 7.41 H new ATOM 0 HA THR A 7 -5.646 -4.423 6.773 1.00 7.48 H new ATOM 0 HB THR A 7 -7.643 -5.362 5.859 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.655 -7.524 5.088 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.510 -6.154 3.676 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.612 -4.794 4.391 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.024 -6.460 4.606 1.00 9.17 H new ATOM 128 N LEU A 8 -7.381 -4.859 8.702 1.00 9.84 N ATOM 129 CA LEU A 8 -8.211 -4.864 9.913 1.00 14.15 C ATOM 130 C LEU A 8 -9.047 -6.151 9.953 1.00 17.37 C ATOM 131 O LEU A 8 -9.172 -6.840 10.957 1.00 17.01 O ATOM 132 CB LEU A 8 -9.284 -3.691 9.794 1.00 16.63 C ATOM 133 CG LEU A 8 -10.441 -3.737 10.773 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.965 -3.209 12.117 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.597 -2.893 10.271 1.00 18.59 C ATOM 0 H LEU A 8 -7.553 -4.024 8.142 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.561 -4.765 10.783 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.767 -2.740 9.920 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.691 -3.701 8.783 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.787 -4.766 10.875 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.788 -3.237 12.831 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.147 -3.829 12.482 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.618 -2.182 12.002 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.418 -2.938 10.986 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.271 -1.859 10.158 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.934 -3.274 9.307 1.00 18.59 H new ATOM 147 N THR A 9 -9.633 -6.568 8.796 1.00 18.33 N ATOM 148 CA THR A 9 -10.656 -7.652 8.807 1.00 19.24 C ATOM 149 C THR A 9 -10.156 -9.110 8.574 1.00 19.48 C ATOM 150 O THR A 9 -10.914 -10.021 8.254 1.00 23.14 O ATOM 151 CB THR A 9 -11.845 -7.377 7.828 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.443 -7.258 6.468 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.609 -6.128 8.328 1.00 19.70 C ATOM 0 H THR A 9 -9.424 -6.185 7.874 1.00 18.33 H new ATOM 0 HA THR A 9 -10.984 -7.609 9.846 1.00 19.24 H new ATOM 0 HB THR A 9 -12.508 -8.242 7.836 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.229 -7.089 5.908 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.443 -5.919 7.658 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.988 -6.312 9.333 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.935 -5.272 8.346 1.00 19.70 H new ATOM 161 N GLY A 10 -8.817 -9.311 8.711 1.00 19.43 N ATOM 162 CA GLY A 10 -8.113 -10.581 8.824 1.00 18.74 C ATOM 163 C GLY A 10 -7.578 -10.944 7.454 1.00 17.62 C ATOM 164 O GLY A 10 -8.070 -11.900 6.809 1.00 19.74 O ATOM 0 H GLY A 10 -8.172 -8.522 8.746 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.297 -10.502 9.543 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.785 -11.358 9.189 1.00 18.74 H new ATOM 168 N LYS A 11 -6.476 -10.310 6.958 1.00 13.56 N ATOM 169 CA LYS A 11 -5.801 -10.780 5.775 1.00 11.91 C ATOM 170 C LYS A 11 -4.333 -10.274 5.815 1.00 10.18 C ATOM 171 O LYS A 11 -3.963 -9.195 6.170 1.00 9.10 O ATOM 172 CB LYS A 11 -6.482 -10.271 4.500 1.00 13.43 C ATOM 173 CG LYS A 11 -6.282 -11.216 3.292 1.00 16.69 C ATOM 174 CD LYS A 11 -7.188 -10.951 2.134 1.00 17.92 C ATOM 175 CE LYS A 11 -7.096 -12.044 0.994 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.152 -12.006 0.011 1.00 21.93 N ATOM 0 H LYS A 11 -6.060 -9.478 7.378 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.837 -11.869 5.759 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.549 -10.150 4.688 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.088 -9.285 4.253 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.249 -11.136 2.953 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.430 -12.244 3.624 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.216 -10.898 2.493 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.947 -9.976 1.711 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.141 -11.929 0.481 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.091 -13.030 1.459 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.609 -12.938 -0.043 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.856 -11.291 0.285 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.753 -11.761 -0.918 1.00 21.93 H new ATOM 190 N THR A 12 -3.424 -11.107 5.326 1.00 9.63 N ATOM 191 CA THR A 12 -2.013 -10.897 4.981 1.00 9.85 C ATOM 192 C THR A 12 -1.854 -11.377 3.578 1.00 11.66 C ATOM 193 O THR A 12 -1.606 -12.585 3.313 1.00 12.33 O ATOM 194 CB THR A 12 -1.035 -11.683 5.888 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.267 -11.282 7.196 1.00 10.91 O ATOM 196 CG2 THR A 12 0.378 -11.206 5.571 1.00 9.63 C ATOM 0 H THR A 12 -3.688 -12.073 5.135 1.00 9.63 H new ATOM 0 HA THR A 12 -1.771 -9.842 5.111 1.00 9.85 H new ATOM 0 HB THR A 12 -1.159 -12.756 5.744 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.142 -12.044 7.799 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.092 -11.743 6.196 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.599 -11.397 4.521 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.454 -10.137 5.769 1.00 9.63 H new ATOM 204 N ILE A 13 -1.828 -10.334 2.695 1.00 10.42 N ATOM 205 CA ILE A 13 -1.399 -10.509 1.338 1.00 11.84 C ATOM 206 C ILE A 13 0.113 -10.274 1.244 1.00 10.55 C ATOM 207 O ILE A 13 0.821 -9.615 2.057 1.00 11.92 O ATOM 208 CB ILE A 13 -2.256 -9.759 0.356 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.176 -8.231 0.368 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.715 -10.191 0.529 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.891 -7.452 -0.809 1.00 16.46 C ATOM 0 H ILE A 13 -2.104 -9.381 2.930 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.555 -11.542 1.028 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.842 -10.032 -0.614 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.599 -7.880 1.309 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.123 -7.949 0.367 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.341 -9.650 -0.181 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.801 -11.262 0.346 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.042 -9.969 1.545 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.753 -6.379 -0.672 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.457 -7.755 -1.762 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.956 -7.684 -0.805 1.00 16.46 H new ATOM 223 N THR A 14 0.620 -10.739 0.084 1.00 9.39 N ATOM 224 CA THR A 14 1.972 -10.730 -0.323 1.00 9.63 C ATOM 225 C THR A 14 2.064 -10.228 -1.710 1.00 11.20 C ATOM 226 O THR A 14 1.395 -10.802 -2.559 1.00 11.63 O ATOM 227 CB THR A 14 2.558 -12.095 -0.198 1.00 10.38 C ATOM 228 OG1 THR A 14 2.360 -12.628 1.134 1.00 16.30 O ATOM 229 CG2 THR A 14 4.030 -12.101 -0.413 1.00 11.66 C ATOM 0 H THR A 14 0.016 -11.157 -0.624 1.00 9.39 H new ATOM 0 HA THR A 14 2.545 -10.065 0.323 1.00 9.63 H new ATOM 0 HB THR A 14 2.053 -12.692 -0.957 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.051 -12.276 1.733 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.408 -13.118 -0.311 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.253 -11.729 -1.413 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.508 -11.460 0.328 1.00 11.66 H new ATOM 237 N LEU A 15 2.935 -9.203 -2.002 1.00 8.29 N ATOM 238 CA LEU A 15 3.120 -8.694 -3.302 1.00 9.03 C ATOM 239 C LEU A 15 4.622 -8.545 -3.650 1.00 8.59 C ATOM 240 O LEU A 15 5.479 -8.678 -2.757 1.00 7.79 O ATOM 241 CB LEU A 15 2.624 -7.169 -3.218 1.00 11.08 C ATOM 242 CG LEU A 15 1.212 -6.862 -2.789 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.936 -5.357 -2.745 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.070 -7.613 -3.469 1.00 15.27 C ATOM 0 H LEU A 15 3.508 -8.740 -1.296 1.00 8.29 H new ATOM 0 HA LEU A 15 2.616 -9.345 -4.016 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.292 -6.647 -2.533 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.768 -6.726 -4.203 1.00 11.08 H new ATOM 0 HG LEU A 15 1.200 -7.276 -1.781 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.093 -5.185 -2.431 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.616 -4.883 -2.037 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.089 -4.930 -3.736 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.882 -7.282 -3.053 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.088 -7.410 -4.540 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.187 -8.684 -3.301 1.00 15.27 H new ATOM 256 N GLU A 16 4.934 -8.388 -4.935 1.00 11.04 N ATOM 257 CA GLU A 16 6.291 -8.230 -5.505 1.00 11.50 C ATOM 258 C GLU A 16 6.296 -6.812 -6.064 1.00 10.13 C ATOM 259 O GLU A 16 5.524 -6.520 -7.007 1.00 9.83 O ATOM 260 CB GLU A 16 6.687 -9.219 -6.587 1.00 17.22 C ATOM 261 CG GLU A 16 8.084 -9.152 -7.252 1.00 23.33 C ATOM 262 CD GLU A 16 9.159 -9.589 -6.315 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.012 -10.655 -5.631 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.266 -8.952 -6.190 1.00 28.86 O ATOM 0 H GLU A 16 4.213 -8.365 -5.656 1.00 11.04 H new ATOM 0 HA GLU A 16 7.026 -8.424 -4.723 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.583 -10.217 -6.162 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.949 -9.133 -7.384 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.096 -9.784 -8.140 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.281 -8.133 -7.583 1.00 23.33 H new ATOM 271 N VAL A 17 7.125 -5.999 -5.518 1.00 8.99 N ATOM 272 CA VAL A 17 7.151 -4.538 -5.755 1.00 8.85 C ATOM 273 C VAL A 17 8.623 -4.160 -5.950 1.00 8.04 C ATOM 274 O VAL A 17 9.538 -4.942 -5.847 1.00 8.99 O ATOM 275 CB VAL A 17 6.527 -3.672 -4.678 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.115 -4.104 -4.244 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.357 -3.718 -3.409 1.00 10.54 C ATOM 0 H VAL A 17 7.844 -6.309 -4.865 1.00 8.99 H new ATOM 0 HA VAL A 17 6.527 -4.340 -6.627 1.00 8.85 H new ATOM 0 HB VAL A 17 6.481 -2.684 -5.135 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.749 -3.428 -3.471 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.444 -4.071 -5.103 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.150 -5.120 -3.850 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.893 -3.090 -2.648 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.413 -4.745 -3.048 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.362 -3.352 -3.618 1.00 10.54 H new ATOM 287 N GLU A 18 8.958 -2.944 -6.354 1.00 7.29 N ATOM 288 CA GLU A 18 10.335 -2.416 -6.397 1.00 7.08 C ATOM 289 C GLU A 18 10.402 -1.158 -5.519 1.00 6.45 C ATOM 290 O GLU A 18 9.402 -0.492 -5.364 1.00 5.28 O ATOM 291 CB GLU A 18 10.702 -2.067 -7.861 1.00 10.28 C ATOM 292 CG GLU A 18 10.909 -3.287 -8.730 1.00 12.65 C ATOM 293 CD GLU A 18 10.793 -3.137 -10.208 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.670 -2.010 -10.739 1.00 18.17 O ATOM 295 OE2 GLU A 18 10.708 -4.230 -10.833 1.00 14.33 O ATOM 0 H GLU A 18 8.265 -2.267 -6.673 1.00 7.29 H new ATOM 0 HA GLU A 18 11.041 -3.159 -6.025 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.911 -1.453 -8.291 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.611 -1.466 -7.867 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.901 -3.683 -8.514 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.189 -4.043 -8.416 1.00 12.65 H new ATOM 302 N PRO A 19 11.530 -0.727 -4.851 1.00 7.24 N ATOM 303 CA PRO A 19 11.599 0.495 -4.090 1.00 7.07 C ATOM 304 C PRO A 19 11.273 1.756 -4.789 1.00 6.65 C ATOM 305 O PRO A 19 11.049 2.757 -4.131 1.00 6.37 O ATOM 306 CB PRO A 19 12.920 0.397 -3.427 1.00 7.61 C ATOM 307 CG PRO A 19 13.718 -0.669 -4.173 1.00 8.16 C ATOM 308 CD PRO A 19 12.744 -1.504 -4.865 1.00 7.49 C ATOM 0 HA PRO A 19 10.786 0.575 -3.368 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.437 1.356 -3.455 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.805 0.128 -2.377 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.410 -0.212 -4.880 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.316 -1.262 -3.481 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.063 -1.725 -5.884 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.610 -2.460 -4.359 1.00 7.49 H new ATOM 316 N SER A 20 11.402 1.827 -6.126 1.00 6.80 N ATOM 317 CA SER A 20 11.093 3.036 -6.851 1.00 6.28 C ATOM 318 C SER A 20 9.713 2.876 -7.410 1.00 8.45 C ATOM 319 O SER A 20 9.305 3.760 -8.138 1.00 7.26 O ATOM 320 CB SER A 20 12.065 3.390 -7.936 1.00 8.57 C ATOM 321 OG SER A 20 13.179 3.915 -7.287 1.00 11.13 O ATOM 0 H SER A 20 11.719 1.053 -6.710 1.00 6.80 H new ATOM 0 HA SER A 20 11.162 3.869 -6.152 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.332 2.512 -8.524 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.635 4.117 -8.625 1.00 8.57 H new ATOM 0 HG SER A 20 13.856 4.165 -7.950 1.00 11.13 H new ATOM 327 N ASP A 21 8.929 1.784 -7.106 1.00 7.50 N ATOM 328 CA ASP A 21 7.488 1.748 -7.313 1.00 7.70 C ATOM 329 C ASP A 21 6.887 2.818 -6.462 1.00 7.08 C ATOM 330 O ASP A 21 7.195 3.056 -5.290 1.00 8.11 O ATOM 331 CB ASP A 21 6.802 0.380 -7.176 1.00 11.00 C ATOM 332 CG ASP A 21 7.183 -0.558 -8.284 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.611 -0.078 -9.389 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.046 -1.795 -8.084 1.00 18.03 O ATOM 0 H ASP A 21 9.306 0.921 -6.713 1.00 7.50 H new ATOM 0 HA ASP A 21 7.303 1.945 -8.369 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.070 -0.065 -6.218 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.721 0.516 -7.173 1.00 11.00 H new ATOM 339 N THR A 22 5.931 3.527 -7.059 1.00 5.37 N ATOM 340 CA THR A 22 5.135 4.482 -6.302 1.00 6.01 C ATOM 341 C THR A 22 4.070 3.701 -5.543 1.00 8.01 C ATOM 342 O THR A 22 3.768 2.592 -5.948 1.00 8.11 O ATOM 343 CB THR A 22 4.586 5.702 -7.039 1.00 8.92 C ATOM 344 OG1 THR A 22 3.785 5.302 -8.132 1.00 10.22 O ATOM 345 CG2 THR A 22 5.785 6.449 -7.662 1.00 9.65 C ATOM 0 H THR A 22 5.694 3.458 -8.049 1.00 5.37 H new ATOM 0 HA THR A 22 5.825 4.981 -5.622 1.00 6.01 H new ATOM 0 HB THR A 22 4.011 6.306 -6.337 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.165 4.495 -8.538 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.427 7.328 -8.198 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.471 6.758 -6.873 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.305 5.788 -8.356 1.00 9.65 H new ATOM 353 N ILE A 23 3.418 4.401 -4.556 1.00 8.32 N ATOM 354 CA ILE A 23 2.270 3.944 -3.768 1.00 9.92 C ATOM 355 C ILE A 23 1.013 3.677 -4.697 1.00 10.01 C ATOM 356 O ILE A 23 0.305 2.649 -4.569 1.00 8.71 O ATOM 357 CB ILE A 23 2.034 4.959 -2.640 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.307 5.121 -1.728 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.765 4.510 -1.839 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.831 3.819 -1.193 1.00 12.30 C ATOM 0 H ILE A 23 3.710 5.342 -4.293 1.00 8.32 H new ATOM 0 HA ILE A 23 2.466 2.979 -3.301 1.00 9.92 H new ATOM 0 HB ILE A 23 1.856 5.950 -3.058 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.094 5.612 -2.300 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.064 5.777 -0.892 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.576 5.216 -1.031 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.096 4.484 -2.507 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.931 3.517 -1.422 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.708 4.007 -0.574 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.060 3.335 -0.593 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.106 3.169 -2.023 1.00 12.30 H new ATOM 372 N GLU A 24 0.789 4.586 -5.706 1.00 9.54 N ATOM 373 CA GLU A 24 -0.020 4.396 -6.885 1.00 11.81 C ATOM 374 C GLU A 24 0.246 3.074 -7.649 1.00 11.14 C ATOM 375 O GLU A 24 -0.712 2.430 -8.084 1.00 10.62 O ATOM 376 CB GLU A 24 0.140 5.587 -7.849 1.00 19.24 C ATOM 377 CG GLU A 24 -0.913 5.681 -8.933 1.00 27.76 C ATOM 378 CD GLU A 24 -2.358 6.175 -8.572 1.00 32.92 C ATOM 379 OE1 GLU A 24 -3.113 5.559 -7.840 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.639 7.363 -8.949 1.00 36.51 O ATOM 0 H GLU A 24 1.210 5.515 -5.681 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.044 4.333 -6.516 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.125 6.509 -7.268 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.121 5.524 -8.321 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.526 6.344 -9.707 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.009 4.692 -9.380 1.00 27.76 H new ATOM 387 N ASN A 25 1.491 2.642 -7.843 1.00 9.43 N ATOM 388 CA ASN A 25 1.684 1.319 -8.425 1.00 10.96 C ATOM 389 C ASN A 25 1.344 0.177 -7.479 1.00 9.68 C ATOM 390 O ASN A 25 0.715 -0.826 -7.906 1.00 9.33 O ATOM 391 CB ASN A 25 3.222 1.143 -8.771 1.00 16.78 C ATOM 392 CG ASN A 25 3.692 2.142 -9.814 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.713 2.763 -9.567 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.117 2.224 -11.024 1.00 24.70 N ATOM 0 H ASN A 25 2.341 3.159 -7.619 1.00 9.43 H new ATOM 0 HA ASN A 25 1.023 1.270 -9.290 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.813 1.263 -7.863 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.398 0.131 -9.135 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.533 2.810 -11.748 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.264 1.701 -11.220 1.00 24.70 H new ATOM 401 N VAL A 26 1.681 0.206 -6.168 1.00 6.52 N ATOM 402 CA VAL A 26 1.407 -0.841 -5.183 1.00 5.53 C ATOM 403 C VAL A 26 -0.092 -1.034 -5.067 1.00 4.42 C ATOM 404 O VAL A 26 -0.667 -2.124 -5.280 1.00 3.40 O ATOM 405 CB VAL A 26 2.043 -0.611 -3.753 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.905 -1.750 -2.768 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.572 -0.330 -3.927 1.00 8.12 C ATOM 0 H VAL A 26 2.173 1.001 -5.760 1.00 6.52 H new ATOM 0 HA VAL A 26 1.896 -1.739 -5.559 1.00 5.53 H new ATOM 0 HB VAL A 26 1.482 0.223 -3.331 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.379 -1.475 -1.826 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.849 -1.957 -2.596 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.388 -2.640 -3.171 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.026 -0.169 -2.949 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.046 -1.184 -4.411 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.711 0.559 -4.542 1.00 8.12 H new ATOM 417 N LYS A 27 -0.821 0.103 -4.937 1.00 2.64 N ATOM 418 CA LYS A 27 -2.280 0.092 -4.893 1.00 4.14 C ATOM 419 C LYS A 27 -3.003 -0.478 -6.109 1.00 5.58 C ATOM 420 O LYS A 27 -3.884 -1.311 -6.018 1.00 4.11 O ATOM 421 CB LYS A 27 -2.854 1.433 -4.441 1.00 3.97 C ATOM 422 CG LYS A 27 -2.387 1.826 -3.024 1.00 7.45 C ATOM 423 CD LYS A 27 -3.174 3.034 -2.468 1.00 9.02 C ATOM 424 CE LYS A 27 -3.123 4.264 -3.420 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.873 5.292 -2.702 1.00 15.47 N ATOM 0 H LYS A 27 -0.409 1.033 -4.862 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.497 -0.649 -4.124 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.556 2.209 -5.147 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.943 1.384 -4.461 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.508 0.975 -2.354 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.324 2.065 -3.046 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.213 2.745 -2.308 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.767 3.313 -1.496 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.097 4.578 -3.613 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.575 4.041 -4.386 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.560 6.233 -3.015 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.888 5.182 -2.898 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.705 5.194 -1.680 1.00 15.47 H new ATOM 439 N ALA A 28 -2.513 -0.211 -7.314 1.00 6.61 N ATOM 440 CA ALA A 28 -2.874 -0.845 -8.562 1.00 7.74 C ATOM 441 C ALA A 28 -2.611 -2.350 -8.707 1.00 9.17 C ATOM 442 O ALA A 28 -3.384 -3.142 -9.182 1.00 11.45 O ATOM 443 CB ALA A 28 -2.426 0.102 -9.734 1.00 7.68 C ATOM 0 H ALA A 28 -1.802 0.508 -7.446 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.959 -0.938 -8.598 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.687 -0.353 -10.689 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.932 1.063 -9.639 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.348 0.254 -9.687 1.00 7.68 H new ATOM 449 N LYS A 29 -1.470 -2.800 -8.148 1.00 8.96 N ATOM 450 CA LYS A 29 -1.143 -4.206 -7.844 1.00 7.90 C ATOM 451 C LYS A 29 -2.151 -4.889 -6.879 1.00 6.92 C ATOM 452 O LYS A 29 -2.659 -5.989 -7.120 1.00 6.87 O ATOM 453 CB LYS A 29 0.346 -4.257 -7.391 1.00 10.28 C ATOM 454 CG LYS A 29 1.014 -5.654 -7.392 1.00 14.94 C ATOM 455 CD LYS A 29 2.494 -5.582 -7.610 1.00 19.69 C ATOM 456 CE LYS A 29 2.948 -5.460 -9.036 1.00 22.63 C ATOM 457 NZ LYS A 29 4.384 -5.210 -9.120 1.00 24.98 N ATOM 0 H LYS A 29 -0.718 -2.164 -7.884 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.252 -4.816 -8.740 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.924 -3.600 -8.041 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.412 -3.847 -6.383 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.814 -6.150 -6.442 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.564 -6.268 -8.173 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.881 -4.729 -7.053 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.948 -6.476 -7.181 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.705 -6.375 -9.576 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.407 -4.649 -9.523 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.710 -5.382 -10.093 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.580 -4.223 -8.858 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.886 -5.847 -8.469 1.00 24.98 H new ATOM 471 N ILE A 30 -2.578 -4.162 -5.793 1.00 4.57 N ATOM 472 CA ILE A 30 -3.560 -4.701 -4.885 1.00 5.58 C ATOM 473 C ILE A 30 -4.888 -4.803 -5.583 1.00 7.26 C ATOM 474 O ILE A 30 -5.646 -5.733 -5.362 1.00 9.46 O ATOM 475 CB ILE A 30 -3.611 -3.888 -3.648 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.220 -3.922 -2.933 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.726 -4.344 -2.704 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.068 -3.133 -1.665 1.00 2.00 C ATOM 0 H ILE A 30 -2.246 -3.227 -5.559 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.281 -5.710 -4.580 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.842 -2.861 -3.930 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.982 -4.962 -2.711 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.470 -3.568 -3.641 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.725 -3.719 -1.811 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.688 -4.255 -3.208 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.560 -5.383 -2.420 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.054 -3.250 -1.283 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.260 -2.079 -1.867 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.780 -3.496 -0.923 1.00 2.00 H new ATOM 490 N GLN A 31 -5.214 -3.871 -6.492 1.00 7.06 N ATOM 491 CA GLN A 31 -6.406 -3.819 -7.263 1.00 8.67 C ATOM 492 C GLN A 31 -6.454 -5.046 -8.214 1.00 10.90 C ATOM 493 O GLN A 31 -7.449 -5.704 -8.369 1.00 9.63 O ATOM 494 CB GLN A 31 -6.504 -2.495 -8.067 1.00 9.12 C ATOM 495 CG GLN A 31 -7.733 -2.422 -9.018 1.00 10.76 C ATOM 496 CD GLN A 31 -8.058 -1.065 -9.636 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.135 -0.537 -9.506 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.044 -0.481 -10.433 1.00 14.76 N ATOM 0 H GLN A 31 -4.589 -3.092 -6.701 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.262 -3.849 -6.588 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.548 -1.660 -7.368 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.595 -2.371 -8.655 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.575 -3.133 -9.829 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.609 -2.759 -8.464 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.141 -0.945 -10.529 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.217 0.403 -10.911 1.00 14.76 H new ATOM 507 N ASP A 32 -5.283 -5.416 -8.790 1.00 10.93 N ATOM 508 CA ASP A 32 -5.105 -6.567 -9.600 1.00 14.01 C ATOM 509 C ASP A 32 -5.432 -7.871 -8.856 1.00 14.04 C ATOM 510 O ASP A 32 -6.086 -8.755 -9.455 1.00 13.39 O ATOM 511 CB ASP A 32 -3.659 -6.539 -10.190 1.00 18.01 C ATOM 512 CG ASP A 32 -3.379 -7.441 -11.331 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.904 -7.206 -12.440 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.519 -8.354 -11.239 1.00 25.17 O ATOM 0 H ASP A 32 -4.426 -4.875 -8.676 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.819 -6.543 -10.423 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.441 -5.518 -10.504 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.962 -6.781 -9.388 1.00 18.01 H new ATOM 519 N LYS A 33 -4.963 -8.081 -7.601 1.00 14.22 N ATOM 520 CA LYS A 33 -5.315 -9.249 -6.813 1.00 14.00 C ATOM 521 C LYS A 33 -6.614 -9.240 -6.006 1.00 12.37 C ATOM 522 O LYS A 33 -7.284 -10.257 -5.887 1.00 12.17 O ATOM 523 CB LYS A 33 -4.118 -9.556 -5.825 1.00 18.62 C ATOM 524 CG LYS A 33 -2.719 -9.651 -6.439 1.00 24.00 C ATOM 525 CD LYS A 33 -1.663 -10.224 -5.523 1.00 27.61 C ATOM 526 CE LYS A 33 -0.258 -10.247 -6.110 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.248 -11.110 -7.339 1.00 30.06 N ATOM 0 H LYS A 33 -4.333 -7.437 -7.124 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.500 -10.013 -7.568 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.101 -8.779 -5.061 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.330 -10.497 -5.317 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.773 -10.266 -7.338 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.407 -8.655 -6.752 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.647 -9.644 -4.600 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.947 -11.242 -5.255 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.061 -9.235 -6.360 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.449 -10.632 -5.375 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.733 -11.267 -7.645 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.694 -12.025 -7.125 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.777 -10.637 -8.100 1.00 30.06 H new ATOM 541 N GLU A 34 -6.967 -8.100 -5.354 1.00 10.11 N ATOM 542 CA GLU A 34 -8.103 -8.047 -4.475 1.00 10.07 C ATOM 543 C GLU A 34 -9.233 -7.177 -5.032 1.00 9.32 C ATOM 544 O GLU A 34 -10.334 -7.113 -4.479 1.00 11.61 O ATOM 545 CB GLU A 34 -7.618 -7.360 -3.158 1.00 14.77 C ATOM 546 CG GLU A 34 -6.727 -8.245 -2.318 1.00 18.75 C ATOM 547 CD GLU A 34 -7.455 -9.429 -1.647 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.057 -9.218 -0.562 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.440 -10.564 -2.204 1.00 21.95 O ATOM 0 H GLU A 34 -6.462 -7.218 -5.440 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.481 -9.060 -4.337 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.079 -6.447 -3.410 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.486 -7.065 -2.569 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.927 -8.635 -2.947 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.257 -7.638 -1.544 1.00 18.75 H new ATOM 556 N GLY A 35 -9.037 -6.512 -6.194 1.00 7.22 N ATOM 557 CA GLY A 35 -10.065 -5.682 -6.824 1.00 6.29 C ATOM 558 C GLY A 35 -10.510 -4.351 -6.239 1.00 6.93 C ATOM 559 O GLY A 35 -11.495 -3.772 -6.659 1.00 7.41 O ATOM 0 H GLY A 35 -8.159 -6.542 -6.713 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.723 -5.478 -7.839 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.958 -6.301 -6.907 1.00 6.29 H new ATOM 563 N ILE A 36 -9.779 -3.873 -5.188 1.00 5.86 N ATOM 564 CA ILE A 36 -10.101 -2.705 -4.399 1.00 6.07 C ATOM 565 C ILE A 36 -9.657 -1.472 -5.258 1.00 6.36 C ATOM 566 O ILE A 36 -8.494 -1.442 -5.672 1.00 6.18 O ATOM 567 CB ILE A 36 -9.437 -2.707 -3.080 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.654 -4.019 -2.260 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.924 -1.520 -2.282 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.470 -4.243 -1.252 1.00 9.49 C ATOM 0 H ILE A 36 -8.921 -4.329 -4.878 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.167 -2.680 -4.175 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.365 -2.645 -3.268 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.597 -3.962 -1.715 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.728 -4.870 -2.937 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.439 -1.514 -1.306 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.682 -0.600 -2.814 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.004 -1.589 -2.150 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.639 -5.162 -0.690 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.533 -4.322 -1.803 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.415 -3.401 -0.562 1.00 9.49 H new ATOM 582 N PRO A 37 -10.455 -0.416 -5.575 1.00 8.65 N ATOM 583 CA PRO A 37 -9.962 0.831 -6.136 1.00 9.18 C ATOM 584 C PRO A 37 -8.726 1.413 -5.404 1.00 9.85 C ATOM 585 O PRO A 37 -8.887 1.582 -4.219 1.00 8.51 O ATOM 586 CB PRO A 37 -11.194 1.769 -6.086 1.00 11.42 C ATOM 587 CG PRO A 37 -12.342 0.809 -5.974 1.00 9.27 C ATOM 588 CD PRO A 37 -11.789 -0.282 -5.105 1.00 8.33 C ATOM 0 HA PRO A 37 -9.579 0.691 -7.147 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.151 2.448 -5.234 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.269 2.386 -6.982 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.217 1.278 -5.524 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.648 0.431 -6.949 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -11.820 -0.013 -4.049 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.351 -1.210 -5.214 1.00 8.33 H new ATOM 596 N PRO A 38 -7.639 1.874 -5.978 1.00 8.71 N ATOM 597 CA PRO A 38 -6.603 2.625 -5.291 1.00 9.08 C ATOM 598 C PRO A 38 -7.089 3.896 -4.601 1.00 9.28 C ATOM 599 O PRO A 38 -6.502 4.196 -3.561 1.00 6.50 O ATOM 600 CB PRO A 38 -5.639 2.922 -6.463 1.00 10.31 C ATOM 601 CG PRO A 38 -5.818 1.743 -7.398 1.00 10.81 C ATOM 602 CD PRO A 38 -7.313 1.553 -7.347 1.00 12.00 C ATOM 0 HA PRO A 38 -6.165 2.080 -4.455 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.888 3.862 -6.955 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.608 3.005 -6.120 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.465 1.960 -8.406 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.279 0.860 -7.055 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.827 2.211 -8.048 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.598 0.532 -7.600 1.00 12.00 H new ATOM 610 N ASP A 39 -8.118 4.597 -5.116 1.00 11.20 N ATOM 611 CA ASP A 39 -8.655 5.812 -4.476 1.00 14.96 C ATOM 612 C ASP A 39 -9.279 5.543 -3.105 1.00 13.99 C ATOM 613 O ASP A 39 -9.171 6.361 -2.187 1.00 13.75 O ATOM 614 CB ASP A 39 -9.641 6.568 -5.452 1.00 24.16 C ATOM 615 CG ASP A 39 -8.820 7.414 -6.395 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.440 8.557 -6.085 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.761 6.987 -7.550 1.00 34.22 O ATOM 0 H ASP A 39 -8.596 4.339 -5.979 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.810 6.472 -4.279 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.244 5.853 -6.011 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.331 7.193 -4.885 1.00 24.16 H new ATOM 622 N GLN A 40 -9.892 4.384 -2.947 1.00 11.60 N ATOM 623 CA GLN A 40 -10.620 4.002 -1.710 1.00 10.76 C ATOM 624 C GLN A 40 -9.618 3.407 -0.681 1.00 8.01 C ATOM 625 O GLN A 40 -9.923 3.253 0.531 1.00 8.96 O ATOM 626 CB GLN A 40 -11.689 3.021 -2.160 1.00 11.14 C ATOM 627 CG GLN A 40 -12.740 2.587 -1.138 1.00 14.85 C ATOM 628 CD GLN A 40 -13.370 1.271 -1.672 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.122 0.185 -1.141 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.152 1.382 -2.768 1.00 18.16 N ATOM 0 H GLN A 40 -9.910 3.663 -3.668 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.090 4.843 -1.201 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.211 3.462 -3.009 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.188 2.125 -2.525 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.286 2.429 -0.160 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.501 3.358 -1.015 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.332 2.300 -3.175 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.563 0.548 -3.188 1.00 18.16 H new ATOM 639 N GLN A 41 -8.391 3.119 -1.065 1.00 6.52 N ATOM 640 CA GLN A 41 -7.385 2.472 -0.265 1.00 3.87 C ATOM 641 C GLN A 41 -6.550 3.612 0.339 1.00 4.79 C ATOM 642 O GLN A 41 -5.899 4.398 -0.348 1.00 6.34 O ATOM 643 CB GLN A 41 -6.413 1.502 -0.980 1.00 4.20 C ATOM 644 CG GLN A 41 -6.973 0.194 -1.550 1.00 3.20 C ATOM 645 CD GLN A 41 -5.958 -0.491 -2.544 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.819 -0.848 -2.222 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.412 -0.753 -3.813 1.00 7.13 N ATOM 0 H GLN A 41 -8.055 3.346 -2.001 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.918 1.834 0.440 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.944 2.047 -1.799 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.623 1.245 -0.275 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.201 -0.491 -0.733 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.911 0.395 -2.068 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.350 -0.463 -4.089 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.811 -1.238 -4.480 1.00 7.13 H new ATOM 656 N ARG A 42 -6.427 3.564 1.665 1.00 5.73 N ATOM 657 CA ARG A 42 -5.506 4.400 2.421 1.00 6.97 C ATOM 658 C ARG A 42 -4.449 3.484 2.998 1.00 7.15 C ATOM 659 O ARG A 42 -4.714 2.462 3.580 1.00 7.33 O ATOM 660 CB ARG A 42 -6.207 5.139 3.565 1.00 13.23 C ATOM 661 CG ARG A 42 -7.171 6.121 2.974 1.00 21.27 C ATOM 662 CD ARG A 42 -7.659 7.180 3.983 1.00 26.14 C ATOM 663 NE ARG A 42 -8.291 8.217 3.138 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.652 9.459 3.502 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.894 9.764 4.771 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.878 10.412 2.577 1.00 36.39 N ATOM 0 H ARG A 42 -6.974 2.932 2.250 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.081 5.156 1.761 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.732 4.432 4.207 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.476 5.654 4.188 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.696 6.624 2.132 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.032 5.582 2.579 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.369 6.757 4.693 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.832 7.588 4.564 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.474 7.960 2.168 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.807 9.049 5.493 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.167 10.714 5.024 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.776 10.195 1.586 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.152 11.351 2.868 1.00 36.39 H new ATOM 680 N LEU A 43 -3.168 3.842 2.880 1.00 4.65 N ATOM 681 CA LEU A 43 -2.112 3.069 3.436 1.00 3.51 C ATOM 682 C LEU A 43 -1.345 3.765 4.533 1.00 5.56 C ATOM 683 O LEU A 43 -1.068 4.959 4.549 1.00 4.19 O ATOM 684 CB LEU A 43 -1.083 2.565 2.418 1.00 3.74 C ATOM 685 CG LEU A 43 -1.606 2.011 1.031 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.442 1.501 0.263 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.644 0.874 1.169 1.00 6.41 C ATOM 0 H LEU A 43 -2.858 4.682 2.391 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.660 2.221 3.847 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.393 3.383 2.210 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.504 1.774 2.895 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.107 2.836 0.524 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.781 1.114 -0.698 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.268 2.311 0.098 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.043 0.703 0.825 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.957 0.545 0.178 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.197 0.037 1.705 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.511 1.238 1.721 1.00 6.41 H new ATOM 699 N ILE A 44 -1.044 3.043 5.623 1.00 4.58 N ATOM 700 CA ILE A 44 -0.318 3.426 6.814 1.00 5.55 C ATOM 701 C ILE A 44 0.906 2.479 7.036 1.00 5.46 C ATOM 702 O ILE A 44 0.826 1.256 7.192 1.00 6.04 O ATOM 703 CB ILE A 44 -1.156 3.443 8.072 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.405 4.323 8.038 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.337 3.835 9.327 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.576 3.846 8.885 1.00 13.90 C ATOM 0 H ILE A 44 -1.343 2.070 5.684 1.00 4.58 H new ATOM 0 HA ILE A 44 0.008 4.450 6.634 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.493 2.408 8.128 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.129 5.325 8.365 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.739 4.406 7.004 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.987 3.831 10.202 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.471 3.118 9.473 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.083 4.832 9.191 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.406 4.545 8.785 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.891 2.859 8.547 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.271 3.792 9.930 1.00 13.90 H new ATOM 718 N PHE A 45 2.104 3.088 7.071 1.00 6.75 N ATOM 719 CA PHE A 45 3.328 2.456 7.418 1.00 4.70 C ATOM 720 C PHE A 45 4.202 3.394 8.259 1.00 6.34 C ATOM 721 O PHE A 45 4.361 4.573 7.973 1.00 5.45 O ATOM 722 CB PHE A 45 4.091 1.924 6.157 1.00 5.51 C ATOM 723 CG PHE A 45 5.449 1.282 6.440 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.504 0.009 6.999 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.661 2.055 6.383 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.720 -0.481 7.531 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.902 1.541 6.871 1.00 6.64 C ATOM 728 CZ PHE A 45 7.901 0.254 7.374 1.00 6.84 C ATOM 0 H PHE A 45 2.219 4.076 6.844 1.00 6.75 H new ATOM 0 HA PHE A 45 3.090 1.584 8.027 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.460 1.193 5.652 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.236 2.753 5.464 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.617 -0.606 7.027 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.632 3.049 5.961 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.737 -1.423 8.059 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.804 2.134 6.848 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.840 -0.199 7.655 1.00 6.84 H new ATOM 738 N ALA A 46 4.675 2.906 9.422 1.00 6.53 N ATOM 739 CA ALA A 46 5.503 3.572 10.434 1.00 7.15 C ATOM 740 C ALA A 46 4.841 4.877 10.961 1.00 9.00 C ATOM 741 O ALA A 46 5.421 5.917 11.150 1.00 11.15 O ATOM 742 CB ALA A 46 6.950 3.784 9.892 1.00 8.99 C ATOM 0 H ALA A 46 4.465 1.947 9.698 1.00 6.53 H new ATOM 0 HA ALA A 46 5.581 2.922 11.305 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.554 4.279 10.652 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.393 2.818 9.649 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.916 4.403 8.996 1.00 8.99 H new ATOM 748 N GLY A 47 3.510 4.795 11.160 1.00 9.35 N ATOM 749 CA GLY A 47 2.657 5.987 11.528 1.00 11.68 C ATOM 750 C GLY A 47 2.530 7.074 10.451 1.00 11.14 C ATOM 751 O GLY A 47 1.822 8.057 10.685 1.00 13.93 O ATOM 0 H GLY A 47 2.985 3.924 11.077 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.658 5.632 11.779 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.069 6.441 12.429 1.00 11.68 H new ATOM 755 N LYS A 48 3.045 6.898 9.222 1.00 10.47 N ATOM 756 CA LYS A 48 2.888 7.876 8.105 1.00 8.82 C ATOM 757 C LYS A 48 1.786 7.376 7.153 1.00 7.68 C ATOM 758 O LYS A 48 1.704 6.216 6.775 1.00 6.47 O ATOM 759 CB LYS A 48 4.243 7.936 7.353 1.00 9.74 C ATOM 760 CG LYS A 48 5.345 8.663 8.063 1.00 14.14 C ATOM 761 CD LYS A 48 6.745 8.325 7.566 1.00 16.32 C ATOM 762 CE LYS A 48 7.893 8.996 8.286 1.00 20.04 C ATOM 763 NZ LYS A 48 7.909 10.492 8.201 1.00 23.92 N ATOM 0 H LYS A 48 3.586 6.073 8.963 1.00 10.47 H new ATOM 0 HA LYS A 48 2.612 8.863 8.477 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.573 6.916 7.154 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.081 8.413 6.386 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.184 9.736 7.956 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.286 8.437 9.128 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.881 7.246 7.636 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.805 8.586 6.509 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.861 8.708 9.337 1.00 20.04 H new ATOM 0 HE3 LYS A 48 8.829 8.614 7.879 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.730 10.861 8.723 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.973 10.782 7.204 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.035 10.873 8.617 1.00 23.92 H new ATOM 777 N GLN A 49 0.928 8.290 6.681 1.00 8.89 N ATOM 778 CA GLN A 49 0.033 7.973 5.575 1.00 7.18 C ATOM 779 C GLN A 49 0.750 8.033 4.197 1.00 8.23 C ATOM 780 O GLN A 49 1.244 9.065 3.799 1.00 9.70 O ATOM 781 CB GLN A 49 -1.199 8.924 5.529 1.00 11.67 C ATOM 782 CG GLN A 49 -2.380 8.221 4.822 1.00 15.82 C ATOM 783 CD GLN A 49 -3.765 8.920 5.045 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.256 9.003 6.170 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.455 9.237 3.906 1.00 20.67 N ATOM 0 H GLN A 49 0.839 9.239 7.045 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.301 6.952 5.760 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.487 9.209 6.541 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.941 9.842 5.000 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.175 8.177 3.752 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.442 7.192 5.177 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.003 9.151 2.996 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.421 9.559 3.968 1.00 20.67 H new ATOM 794 N LEU A 50 0.799 6.878 3.479 1.00 6.51 N ATOM 795 CA LEU A 50 1.513 6.735 2.190 1.00 7.41 C ATOM 796 C LEU A 50 0.871 7.486 1.020 1.00 8.27 C ATOM 797 O LEU A 50 -0.165 7.113 0.498 1.00 8.34 O ATOM 798 CB LEU A 50 1.789 5.241 1.845 1.00 7.13 C ATOM 799 CG LEU A 50 2.273 4.304 2.927 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.460 2.938 2.447 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.472 4.890 3.646 1.00 9.11 C ATOM 0 H LEU A 50 0.341 6.019 3.784 1.00 6.51 H new ATOM 0 HA LEU A 50 2.473 7.228 2.342 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.867 4.824 1.440 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.527 5.222 1.043 1.00 7.13 H new ATOM 0 HG LEU A 50 1.487 4.211 3.676 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.808 2.309 3.266 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.513 2.552 2.070 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.199 2.932 1.645 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.805 4.200 4.421 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.280 5.052 2.933 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.194 5.840 4.102 1.00 9.11 H new ATOM 813 N GLU A 51 1.546 8.525 0.532 1.00 9.43 N ATOM 814 CA GLU A 51 1.074 9.460 -0.536 1.00 11.90 C ATOM 815 C GLU A 51 1.105 8.731 -1.868 1.00 11.49 C ATOM 816 O GLU A 51 2.086 8.038 -2.112 1.00 9.88 O ATOM 817 CB GLU A 51 1.812 10.826 -0.547 1.00 16.56 C ATOM 818 CG GLU A 51 1.418 11.771 0.640 1.00 26.06 C ATOM 819 CD GLU A 51 1.956 13.149 0.483 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.205 13.352 0.495 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.111 14.074 0.338 1.00 32.13 O ATOM 0 H GLU A 51 2.478 8.765 0.871 1.00 9.43 H new ATOM 0 HA GLU A 51 0.045 9.746 -0.320 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.887 10.647 -0.515 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.601 11.334 -1.488 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.332 11.817 0.717 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.786 11.346 1.574 1.00 26.06 H new ATOM 828 N ASP A 52 0.134 8.931 -2.765 1.00 12.71 N ATOM 829 CA ASP A 52 0.040 8.188 -3.981 1.00 16.56 C ATOM 830 C ASP A 52 1.226 8.252 -4.885 1.00 15.83 C ATOM 831 O ASP A 52 1.784 7.318 -5.417 1.00 17.21 O ATOM 832 CB ASP A 52 -1.167 8.851 -4.721 1.00 21.05 C ATOM 833 CG ASP A 52 -2.469 8.535 -4.005 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.792 7.369 -3.849 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.232 9.511 -3.754 1.00 25.82 O ATOM 0 H ASP A 52 -0.605 9.624 -2.647 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.055 7.130 -3.737 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.024 9.931 -4.768 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.214 8.491 -5.749 1.00 21.05 H new ATOM 840 N GLY A 53 1.779 9.487 -5.086 1.00 15.00 N ATOM 841 CA GLY A 53 2.824 9.831 -6.074 1.00 11.77 C ATOM 842 C GLY A 53 4.202 9.647 -5.620 1.00 11.10 C ATOM 843 O GLY A 53 5.165 9.846 -6.351 1.00 11.25 O ATOM 0 H GLY A 53 1.490 10.296 -4.536 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.670 9.225 -6.967 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.693 10.872 -6.369 1.00 11.77 H new ATOM 847 N ARG A 54 4.354 9.248 -4.421 1.00 8.53 N ATOM 848 CA ARG A 54 5.562 9.062 -3.700 1.00 9.05 C ATOM 849 C ARG A 54 6.092 7.575 -3.887 1.00 8.96 C ATOM 850 O ARG A 54 5.366 6.728 -4.268 1.00 11.60 O ATOM 851 CB ARG A 54 5.444 9.349 -2.202 1.00 7.97 C ATOM 852 CG ARG A 54 5.621 10.760 -1.675 1.00 9.62 C ATOM 853 CD ARG A 54 7.070 11.234 -1.770 1.00 12.20 C ATOM 854 NE ARG A 54 7.056 12.587 -1.143 1.00 18.23 N ATOM 855 CZ ARG A 54 8.032 13.483 -1.306 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.992 13.295 -2.204 1.00 25.50 N ATOM 857 NH2 ARG A 54 8.099 14.505 -0.497 1.00 23.38 N ATOM 0 H ARG A 54 3.543 9.015 -3.848 1.00 8.53 H new ATOM 0 HA ARG A 54 6.262 9.787 -4.116 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.458 9.008 -1.885 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.177 8.721 -1.695 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.981 11.439 -2.238 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.294 10.802 -0.636 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.745 10.559 -1.244 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.407 11.279 -2.806 1.00 12.20 H new ATOM 0 HE ARG A 54 6.259 12.841 -0.559 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.991 12.455 -2.783 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.730 13.990 -2.315 1.00 25.50 H new ATOM 0 HH21 ARG A 54 7.411 14.611 0.248 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.840 15.197 -0.610 1.00 23.38 H new ATOM 871 N THR A 55 7.402 7.296 -3.643 1.00 9.05 N ATOM 872 CA THR A 55 7.985 5.949 -3.712 1.00 9.03 C ATOM 873 C THR A 55 7.962 5.199 -2.358 1.00 8.15 C ATOM 874 O THR A 55 8.106 5.719 -1.263 1.00 5.91 O ATOM 875 CB THR A 55 9.392 5.883 -4.349 1.00 11.15 C ATOM 876 OG1 THR A 55 10.439 6.358 -3.557 1.00 11.95 O ATOM 877 CG2 THR A 55 9.308 6.740 -5.580 1.00 11.71 C ATOM 0 H THR A 55 8.080 8.015 -3.391 1.00 9.05 H new ATOM 0 HA THR A 55 7.316 5.426 -4.396 1.00 9.03 H new ATOM 0 HB THR A 55 9.630 4.834 -4.525 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.428 7.338 -3.553 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.272 6.743 -6.088 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.546 6.341 -6.250 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.044 7.759 -5.297 1.00 11.71 H new ATOM 885 N LEU A 56 8.059 3.827 -2.515 1.00 6.91 N ATOM 886 CA LEU A 56 8.356 2.947 -1.401 1.00 8.29 C ATOM 887 C LEU A 56 9.667 3.249 -0.630 1.00 8.05 C ATOM 888 O LEU A 56 9.636 3.249 0.585 1.00 10.17 O ATOM 889 CB LEU A 56 8.424 1.469 -1.849 1.00 6.60 C ATOM 890 CG LEU A 56 7.035 0.856 -2.172 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.103 -0.565 -2.790 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.187 0.706 -0.932 1.00 8.64 C ATOM 0 H LEU A 56 7.931 3.347 -3.406 1.00 6.91 H new ATOM 0 HA LEU A 56 7.525 3.135 -0.721 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.060 1.394 -2.731 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.898 0.881 -1.063 1.00 6.60 H new ATOM 0 HG LEU A 56 6.608 1.559 -2.887 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.093 -0.925 -2.987 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.664 -0.529 -3.724 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.599 -1.241 -2.094 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.223 0.274 -1.201 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.693 0.052 -0.222 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.032 1.684 -0.477 1.00 8.64 H new ATOM 904 N SER A 57 10.784 3.567 -1.347 1.00 8.92 N ATOM 905 CA SER A 57 12.103 3.995 -0.733 1.00 9.00 C ATOM 906 C SER A 57 12.006 5.268 0.122 1.00 9.44 C ATOM 907 O SER A 57 12.726 5.421 1.088 1.00 10.91 O ATOM 908 CB SER A 57 13.269 4.198 -1.701 1.00 10.32 C ATOM 909 OG SER A 57 14.518 3.748 -1.184 1.00 13.59 O ATOM 0 H SER A 57 10.808 3.538 -2.366 1.00 8.92 H new ATOM 0 HA SER A 57 12.321 3.124 -0.115 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.057 3.669 -2.630 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.347 5.257 -1.948 1.00 10.32 H new ATOM 0 HG SER A 57 15.222 3.903 -1.848 1.00 13.59 H new ATOM 915 N ASP A 58 11.127 6.224 -0.221 1.00 9.11 N ATOM 916 CA ASP A 58 10.969 7.549 0.451 1.00 7.91 C ATOM 917 C ASP A 58 10.315 7.430 1.837 1.00 9.12 C ATOM 918 O ASP A 58 10.730 8.178 2.729 1.00 8.61 O ATOM 919 CB ASP A 58 9.967 8.438 -0.319 1.00 8.41 C ATOM 920 CG ASP A 58 10.496 8.991 -1.646 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.622 9.605 -1.583 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.876 8.795 -2.678 1.00 11.70 O ATOM 0 H ASP A 58 10.479 6.103 -0.999 1.00 9.11 H new ATOM 0 HA ASP A 58 11.979 7.955 0.500 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.064 7.860 -0.515 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.678 9.273 0.319 1.00 8.41 H new ATOM 927 N TYR A 59 9.529 6.353 2.022 1.00 7.97 N ATOM 928 CA TYR A 59 9.037 6.010 3.281 1.00 8.45 C ATOM 929 C TYR A 59 9.919 4.975 3.998 1.00 10.98 C ATOM 930 O TYR A 59 9.665 4.557 5.131 1.00 12.95 O ATOM 931 CB TYR A 59 7.612 5.394 3.131 1.00 7.94 C ATOM 932 CG TYR A 59 6.681 6.443 2.707 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.401 7.494 3.604 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.016 6.382 1.489 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.508 8.557 3.223 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.144 7.440 1.051 1.00 6.52 C ATOM 937 CZ TYR A 59 4.870 8.479 1.970 1.00 6.76 C ATOM 938 OH TYR A 59 4.002 9.471 1.671 1.00 7.63 O ATOM 0 H TYR A 59 9.242 5.723 1.273 1.00 7.97 H new ATOM 0 HA TYR A 59 9.023 6.925 3.873 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.626 4.586 2.400 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.287 4.962 4.078 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.859 7.502 4.582 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.157 5.519 0.855 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.332 9.394 3.882 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.716 7.440 0.059 1.00 6.52 H new ATOM 0 HH TYR A 59 4.498 10.259 1.367 1.00 7.63 H new ATOM 948 N ASN A 60 11.012 4.556 3.427 1.00 12.38 N ATOM 949 CA ASN A 60 11.890 3.464 3.959 1.00 13.94 C ATOM 950 C ASN A 60 11.224 2.145 4.276 1.00 14.16 C ATOM 951 O ASN A 60 11.499 1.515 5.277 1.00 14.26 O ATOM 952 CB ASN A 60 12.770 3.942 5.165 1.00 19.23 C ATOM 953 CG ASN A 60 13.557 5.186 4.685 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.366 6.356 5.071 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.441 4.888 3.696 1.00 24.09 N ATOM 0 H ASN A 60 11.357 4.953 2.553 1.00 12.38 H new ATOM 0 HA ASN A 60 12.528 3.244 3.103 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.146 4.188 6.024 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.452 3.153 5.482 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.972 5.633 3.245 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.573 3.919 3.405 1.00 24.09 H new ATOM 962 N ILE A 61 10.434 1.704 3.268 1.00 11.08 N ATOM 963 CA ILE A 61 9.796 0.414 3.198 1.00 11.78 C ATOM 964 C ILE A 61 10.723 -0.610 2.629 1.00 13.74 C ATOM 965 O ILE A 61 11.177 -0.553 1.435 1.00 14.60 O ATOM 966 CB ILE A 61 8.533 0.436 2.397 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.469 1.341 3.113 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.934 -1.034 2.199 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.477 2.002 2.193 1.00 11.42 C ATOM 0 H ILE A 61 10.229 2.283 2.454 1.00 11.08 H new ATOM 0 HA ILE A 61 9.537 0.149 4.223 1.00 11.78 H new ATOM 0 HB ILE A 61 8.769 0.841 1.413 1.00 11.80 H new ATOM 0 HG12 ILE A 61 6.924 0.734 3.835 1.00 11.56 H new ATOM 0 HG13 ILE A 61 7.991 2.114 3.676 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.017 -0.977 1.612 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.661 -1.656 1.677 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.715 -1.472 3.173 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.784 2.605 2.779 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.006 2.641 1.486 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.922 1.239 1.647 1.00 11.42 H new ATOM 981 N GLN A 62 11.200 -1.582 3.474 1.00 13.97 N ATOM 982 CA GLN A 62 12.222 -2.549 3.070 1.00 15.52 C ATOM 983 C GLN A 62 11.616 -3.821 2.459 1.00 13.94 C ATOM 984 O GLN A 62 10.397 -4.071 2.447 1.00 12.15 O ATOM 985 CB GLN A 62 13.000 -2.951 4.374 1.00 19.53 C ATOM 986 CG GLN A 62 13.561 -1.683 5.127 1.00 26.38 C ATOM 987 CD GLN A 62 14.563 -0.927 4.285 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.610 -1.503 3.939 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.294 0.355 4.124 1.00 32.71 N ATOM 0 H GLN A 62 10.878 -1.698 4.435 1.00 13.97 H new ATOM 0 HA GLN A 62 12.861 -2.096 2.312 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.337 -3.506 5.038 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.824 -3.617 4.117 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.735 -1.022 5.390 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.031 -1.993 6.060 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.402 0.733 4.444 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.978 0.968 3.680 1.00 32.71 H new ATOM 998 N LYS A 63 12.486 -4.678 1.932 1.00 11.73 N ATOM 999 CA LYS A 63 12.085 -6.078 1.612 1.00 11.97 C ATOM 1000 C LYS A 63 11.594 -6.977 2.800 1.00 10.41 C ATOM 1001 O LYS A 63 12.200 -7.117 3.852 1.00 9.59 O ATOM 1002 CB LYS A 63 13.342 -6.719 0.890 1.00 13.73 C ATOM 1003 CG LYS A 63 14.671 -6.711 1.644 1.00 16.98 C ATOM 1004 CD LYS A 63 15.786 -7.018 0.639 1.00 20.19 C ATOM 1005 CE LYS A 63 15.747 -8.443 0.060 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.843 -8.618 -0.946 1.00 25.97 N ATOM 0 H LYS A 63 13.457 -4.452 1.715 1.00 11.73 H new ATOM 0 HA LYS A 63 11.188 -6.032 0.994 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.099 -7.754 0.648 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.489 -6.197 -0.055 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.837 -5.741 2.113 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.661 -7.454 2.442 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.725 -6.304 -0.182 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.749 -6.863 1.125 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.858 -9.173 0.862 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.780 -8.628 -0.408 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.809 -9.583 -1.332 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.719 -7.932 -1.718 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.763 -8.460 -0.488 1.00 25.97 H new ATOM 1020 N GLU A 64 10.416 -7.545 2.638 1.00 10.04 N ATOM 1021 CA GLU A 64 9.685 -8.394 3.564 1.00 10.94 C ATOM 1022 C GLU A 64 9.095 -7.596 4.723 1.00 9.74 C ATOM 1023 O GLU A 64 8.831 -8.097 5.820 1.00 9.42 O ATOM 1024 CB GLU A 64 10.518 -9.588 4.146 1.00 18.31 C ATOM 1025 CG GLU A 64 10.760 -10.653 3.064 1.00 24.16 C ATOM 1026 CD GLU A 64 11.703 -11.778 3.459 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.659 -12.252 4.644 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.379 -12.327 2.584 1.00 32.61 O ATOM 0 H GLU A 64 9.894 -7.412 1.772 1.00 10.04 H new ATOM 0 HA GLU A 64 8.887 -8.820 2.956 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.472 -9.223 4.525 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.989 -10.032 4.989 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.800 -11.087 2.784 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.159 -10.162 2.177 1.00 24.16 H new ATOM 1035 N SER A 65 8.885 -6.247 4.493 1.00 6.85 N ATOM 1036 CA SER A 65 8.210 -5.315 5.398 1.00 6.90 C ATOM 1037 C SER A 65 6.708 -5.611 5.439 1.00 4.72 C ATOM 1038 O SER A 65 6.258 -6.396 4.630 1.00 3.91 O ATOM 1039 CB SER A 65 8.259 -3.795 4.959 1.00 7.28 C ATOM 1040 OG SER A 65 8.062 -2.906 6.057 1.00 10.56 O ATOM 0 H SER A 65 9.203 -5.794 3.636 1.00 6.85 H new ATOM 0 HA SER A 65 8.740 -5.456 6.340 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.222 -3.585 4.493 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.493 -3.612 4.205 1.00 7.28 H new ATOM 0 HG SER A 65 7.381 -2.241 5.822 1.00 10.56 H new ATOM 1046 N THR A 66 5.999 -5.088 6.404 1.00 4.48 N ATOM 1047 CA THR A 66 4.582 -5.337 6.537 1.00 3.80 C ATOM 1048 C THR A 66 3.986 -3.937 6.596 1.00 4.60 C ATOM 1049 O THR A 66 4.423 -3.145 7.476 1.00 5.33 O ATOM 1050 CB THR A 66 4.124 -6.105 7.829 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.734 -7.350 7.962 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.631 -6.446 7.591 1.00 3.40 C ATOM 0 H THR A 66 6.385 -4.476 7.123 1.00 4.48 H new ATOM 0 HA THR A 66 4.264 -5.980 5.717 1.00 3.80 H new ATOM 0 HB THR A 66 4.355 -5.488 8.698 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.416 -7.784 8.781 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.239 -6.985 8.453 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.065 -5.525 7.451 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.537 -7.068 6.701 1.00 3.40 H new ATOM 1060 N LEU A 67 3.038 -3.595 5.690 1.00 4.17 N ATOM 1061 CA LEU A 67 2.247 -2.370 5.588 1.00 3.85 C ATOM 1062 C LEU A 67 0.792 -2.607 6.145 1.00 3.80 C ATOM 1063 O LEU A 67 0.342 -3.724 6.357 1.00 5.54 O ATOM 1064 CB LEU A 67 2.154 -1.883 4.164 1.00 7.18 C ATOM 1065 CG LEU A 67 3.443 -1.791 3.284 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.129 -1.165 1.868 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.577 -1.125 3.981 1.00 11.66 C ATOM 0 H LEU A 67 2.793 -4.244 4.942 1.00 4.17 H new ATOM 0 HA LEU A 67 2.754 -1.610 6.183 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.452 -2.535 3.644 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.707 -0.889 4.190 1.00 7.18 H new ATOM 0 HG LEU A 67 3.783 -2.812 3.109 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.046 -1.115 1.281 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.399 -1.787 1.349 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.725 -0.161 1.996 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.442 -1.092 3.319 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.290 -0.110 4.254 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.830 -1.685 4.881 1.00 11.66 H new ATOM 1079 N HIS A 68 0.007 -1.599 6.421 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.337 -1.631 6.895 1.00 4.17 C ATOM 1081 C HIS A 68 -2.255 -0.864 5.937 1.00 5.32 C ATOM 1082 O HIS A 68 -1.993 0.290 5.521 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.420 -1.054 8.346 1.00 5.57 C ATOM 1084 CG HIS A 68 -2.700 -1.228 9.088 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -3.140 -2.457 9.506 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -3.656 -0.321 9.366 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -4.313 -2.262 10.128 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -4.688 -0.974 10.026 1.00 16.30 N ATOM 0 H HIS A 68 0.335 -0.640 6.305 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.675 -2.667 6.929 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.626 -1.512 8.935 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -1.204 0.013 8.295 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.625 0.730 9.119 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -4.876 -3.030 10.638 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -5.556 -0.560 10.365 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.318 -1.541 5.494 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.306 -1.079 4.536 1.00 3.97 C ATOM 1098 C LEU A 69 -5.601 -0.807 5.265 1.00 5.07 C ATOM 1099 O LEU A 69 -6.192 -1.704 5.908 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.516 -2.128 3.479 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.432 -1.725 2.314 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.999 -2.370 0.936 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.982 -2.013 2.519 1.00 9.96 C ATOM 0 H LEU A 69 -3.517 -2.486 5.821 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.960 -0.164 4.055 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.544 -2.408 3.073 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.932 -3.017 3.953 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.299 -0.643 2.293 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.684 -2.048 0.152 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -3.987 -2.051 0.687 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.027 -3.457 1.018 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.532 -1.689 1.636 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -7.137 -3.081 2.671 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.341 -1.466 3.391 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.122 0.399 5.158 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.511 0.698 5.653 1.00 6.26 C ATOM 1117 C VAL A 70 -8.361 1.314 4.575 1.00 9.22 C ATOM 1118 O VAL A 70 -7.870 2.165 3.826 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.481 1.584 6.846 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.574 0.912 7.882 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.931 2.976 6.617 1.00 8.54 C ATOM 0 H VAL A 70 -5.639 1.196 4.745 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.958 -0.254 5.940 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.519 1.712 7.154 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.523 1.531 8.778 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.979 -0.067 8.140 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.573 0.793 7.467 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.956 3.535 7.552 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.903 2.907 6.262 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.538 3.489 5.871 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.571 0.877 4.438 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.401 1.376 3.350 1.00 16.06 C ATOM 1133 C LEU A 71 -11.300 2.494 3.736 1.00 18.09 C ATOM 1134 O LEU A 71 -12.023 2.376 4.753 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.373 0.324 2.696 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.618 -0.872 2.178 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.503 -1.852 1.444 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.580 -0.420 1.136 1.00 19.57 C ATOM 0 H LEU A 71 -10.015 0.188 5.045 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.626 1.683 2.648 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.110 0.001 3.431 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.922 0.792 1.879 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.176 -1.343 3.056 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.903 -2.692 1.094 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.280 -2.216 2.117 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.965 -1.356 0.591 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.036 -1.288 0.764 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.088 0.073 0.307 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.880 0.276 1.598 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.380 3.460 2.861 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.335 4.596 2.836 1.00 25.83 C ATOM 1152 C ARG A 72 -13.818 4.110 2.637 1.00 27.74 C ATOM 1153 O ARG A 72 -14.102 3.133 1.935 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.987 5.657 1.769 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.646 6.995 2.095 1.00 31.79 C ATOM 1156 CD ARG A 72 -12.372 8.041 0.989 1.00 34.05 C ATOM 1157 NE ARG A 72 -13.490 9.048 1.126 1.00 35.08 N ATOM 1158 CZ ARG A 72 -13.373 10.293 0.660 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -12.255 10.832 0.137 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -14.439 11.072 0.781 1.00 35.02 N ATOM 0 H ARG A 72 -10.736 3.499 2.071 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.245 5.069 3.814 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.906 5.783 1.715 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.317 5.314 0.788 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.721 6.855 2.208 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.271 7.365 3.049 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -11.398 8.511 1.122 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -12.372 7.581 0.001 1.00 34.05 H new ATOM 0 HE ARG A 72 -14.356 8.769 1.586 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -11.402 10.276 0.073 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -12.261 11.796 -0.195 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -15.289 10.709 1.212 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -14.409 12.034 0.443 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.783 4.728 3.423 1.00 28.93 N ATOM 1175 CA LEU A 73 -16.151 4.361 3.312 1.00 30.76 C ATOM 1176 C LEU A 73 -16.859 4.838 2.060 1.00 32.18 C ATOM 1177 O LEU A 73 -16.487 5.878 1.453 1.00 32.31 O ATOM 1178 CB LEU A 73 -17.005 4.913 4.422 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.445 4.508 5.799 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.261 5.168 6.960 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.381 3.000 6.097 1.00 29.11 C ATOM 0 H LEU A 73 -14.589 5.459 4.108 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.068 3.274 3.324 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -17.048 6.000 4.347 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -18.026 4.546 4.318 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.417 4.868 5.748 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.842 4.863 7.919 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.209 6.253 6.870 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.301 4.848 6.901 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.970 2.843 7.094 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.384 2.576 6.047 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.744 2.510 5.361 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.819 4.055 1.595 1.00 33.82 N ATOM 1194 CA ARG A 74 -18.377 4.248 0.249 1.00 35.33 C ATOM 1195 C ARG A 74 -19.238 5.509 0.132 1.00 36.22 C ATOM 1196 O ARG A 74 -19.146 6.265 -0.790 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.223 2.997 -0.193 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.408 1.698 -0.253 1.00 38.62 C ATOM 1199 CD ARG A 74 -19.263 0.451 -0.684 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.483 -0.823 -0.312 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.769 -1.519 -1.183 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.581 -1.086 -2.439 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.294 -2.732 -0.815 1.00 41.93 N ATOM 0 H ARG A 74 -18.231 3.283 2.118 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.521 4.370 -0.415 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -20.052 2.865 0.502 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.657 3.190 -1.174 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.584 1.826 -0.955 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.967 1.508 0.725 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -20.231 0.463 -0.183 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -19.458 0.477 -1.756 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.518 -1.147 0.654 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.992 -0.203 -2.741 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.027 -1.640 -3.092 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.488 -3.094 0.119 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.742 -3.284 -1.471 1.00 41.93 H new ATOM 1217 N GLY A 75 -20.003 5.770 1.172 1.00 36.31 N ATOM 1218 CA GLY A 75 -20.806 6.965 1.359 1.00 36.07 C ATOM 1219 C GLY A 75 -20.097 8.054 2.151 1.00 36.16 C ATOM 1220 O GLY A 75 -20.748 8.970 2.654 1.00 36.26 O ATOM 0 H GLY A 75 -20.087 5.120 1.953 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -21.087 7.361 0.383 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -21.729 6.696 1.872 1.00 36.07 H new ATOM 1224 N GLY A 76 -18.782 7.925 2.317 1.00 36.05 N ATOM 1225 CA GLY A 76 -17.992 8.842 3.058 1.00 36.19 C ATOM 1226 C GLY A 76 -16.729 9.302 2.308 1.00 36.20 C ATOM 1227 O GLY A 76 -15.640 8.964 2.838 1.00 0.00 O ATOM 1228 OXT GLY A 76 -16.848 10.143 1.398 1.00 0.00 O ATOM 0 H GLY A 76 -18.246 7.153 1.921 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -18.597 9.714 3.306 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -17.698 8.379 4.000 1.00 36.19 H new TER 1232 GLY A 76