USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 639 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -168:sc= -0.0149 (180deg=-0.167) USER MOD Single : A 5 TYR OH : rot -96:sc= 0.0344 USER MOD Single : A 7 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.1) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.116 K(o=-0.12,f=-2.5!) USER MOD Single : A 20 SER OG : rot 180:sc= -0.379 USER MOD Single : A 25 SER OG : rot 180:sc= 0.473 USER MOD Single : A 28 LYS NZ :NH3+ -176:sc= 0.00759 (180deg=0.00667) USER MOD Single : A 32 MET CE :methyl 178:sc= -0.986 (180deg=-1.03) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 76:sc= 1.28 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 48 CYS SG : rot -140:sc= -1.39 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -0.081 K(o=-0.081,f=-1.4) USER MOD Single : A 54 GLN : amide:sc= -0.0295 K(o=-0.029,f=-1.2) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0226) USER MOD Single : A 72 LYS NZ :NH3+ -171:sc= 1.1 (180deg=1.02) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.021 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.059 9.304 -19.680 1.00 25.00 N ATOM 2 CA GLY A 1 0.695 10.509 -19.220 1.00 25.00 C ATOM 3 C GLY A 1 2.073 10.689 -19.849 1.00 25.00 C ATOM 4 O GLY A 1 2.293 10.590 -21.028 1.00 25.00 O ATOM 0 H1 GLY A 1 -0.980 9.267 -19.199 1.00 25.00 H new ATOM 0 H2 GLY A 1 -0.207 9.359 -20.708 1.00 25.00 H new ATOM 0 H3 GLY A 1 0.485 8.447 -19.453 1.00 25.00 H new ATOM 0 HA2 GLY A 1 0.097 11.395 -19.432 1.00 25.00 H new ATOM 0 HA3 GLY A 1 0.811 10.455 -18.138 1.00 25.00 H new ATOM 9 N SER A 2 3.057 10.975 -18.978 1.00 25.00 N ATOM 10 CA SER A 2 4.450 11.220 -19.395 1.00 25.00 C ATOM 11 C SER A 2 5.444 10.532 -18.449 1.00 25.00 C ATOM 12 O SER A 2 6.496 11.091 -18.090 1.00 25.00 O ATOM 13 CB SER A 2 4.722 12.725 -19.442 1.00 25.00 C ATOM 14 OG SER A 2 3.709 13.363 -20.185 1.00 25.00 O ATOM 0 H SER A 2 2.911 11.043 -17.971 1.00 25.00 H new ATOM 0 HA SER A 2 4.587 10.797 -20.390 1.00 25.00 H new ATOM 0 HB2 SER A 2 4.756 13.131 -18.431 1.00 25.00 H new ATOM 0 HB3 SER A 2 5.695 12.915 -19.895 1.00 25.00 H new ATOM 0 HG SER A 2 3.882 14.327 -20.214 1.00 25.00 H new ATOM 20 N MET A 3 5.072 9.352 -17.974 1.00 25.00 N ATOM 21 CA MET A 3 5.907 8.595 -17.038 1.00 25.00 C ATOM 22 C MET A 3 7.124 8.064 -17.786 1.00 25.00 C ATOM 23 O MET A 3 7.048 7.659 -18.932 1.00 25.00 O ATOM 24 CB MET A 3 5.131 7.421 -16.445 1.00 25.00 C ATOM 25 CG MET A 3 4.000 7.836 -15.489 1.00 25.00 C ATOM 26 SD MET A 3 2.523 8.376 -16.369 1.00 25.00 S ATOM 27 CE MET A 3 1.401 8.647 -15.019 1.00 25.00 C ATOM 0 H MET A 3 4.195 8.892 -18.219 1.00 25.00 H new ATOM 0 HA MET A 3 6.213 9.253 -16.225 1.00 25.00 H new ATOM 0 HB2 MET A 3 4.707 6.831 -17.258 1.00 25.00 H new ATOM 0 HB3 MET A 3 5.825 6.773 -15.910 1.00 25.00 H new ATOM 0 HG2 MET A 3 3.748 6.996 -14.842 1.00 25.00 H new ATOM 0 HG3 MET A 3 4.350 8.641 -14.843 1.00 25.00 H new ATOM 0 HE1 MET A 3 0.440 8.986 -15.407 1.00 25.00 H new ATOM 0 HE2 MET A 3 1.263 7.716 -14.469 1.00 25.00 H new ATOM 0 HE3 MET A 3 1.811 9.406 -14.352 1.00 25.00 H new ATOM 37 N LYS A 4 8.261 8.073 -17.120 1.00 25.00 N ATOM 38 CA LYS A 4 9.494 7.555 -17.706 1.00 25.00 C ATOM 39 C LYS A 4 9.610 6.060 -17.427 1.00 25.00 C ATOM 40 O LYS A 4 10.241 5.648 -16.471 1.00 25.00 O ATOM 41 CB LYS A 4 10.715 8.296 -17.160 1.00 25.00 C ATOM 42 CG LYS A 4 10.759 9.767 -17.583 1.00 25.00 C ATOM 43 CD LYS A 4 12.077 10.470 -17.157 1.00 25.00 C ATOM 44 CE LYS A 4 12.191 10.677 -15.639 1.00 25.00 C ATOM 45 NZ LYS A 4 11.112 11.577 -15.130 1.00 25.00 N ATOM 0 H LYS A 4 8.363 8.433 -16.171 1.00 25.00 H new ATOM 0 HA LYS A 4 9.459 7.716 -18.783 1.00 25.00 H new ATOM 0 HB2 LYS A 4 10.713 8.236 -16.072 1.00 25.00 H new ATOM 0 HB3 LYS A 4 11.621 7.797 -17.505 1.00 25.00 H new ATOM 0 HG2 LYS A 4 10.649 9.834 -18.665 1.00 25.00 H new ATOM 0 HG3 LYS A 4 9.912 10.293 -17.143 1.00 25.00 H new ATOM 0 HD2 LYS A 4 12.925 9.877 -17.501 1.00 25.00 H new ATOM 0 HD3 LYS A 4 12.142 11.438 -17.655 1.00 25.00 H new ATOM 0 HE2 LYS A 4 12.132 9.713 -15.133 1.00 25.00 H new ATOM 0 HE3 LYS A 4 13.165 11.103 -15.400 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 11.329 11.861 -14.153 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 11.053 12.423 -15.732 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 10.202 11.074 -15.151 1.00 25.00 H new ATOM 59 N TYR A 5 8.971 5.275 -18.286 1.00 25.00 N ATOM 60 CA TYR A 5 8.987 3.806 -18.235 1.00 25.00 C ATOM 61 C TYR A 5 9.053 3.423 -19.706 1.00 25.00 C ATOM 62 O TYR A 5 8.889 4.302 -20.547 1.00 25.00 O ATOM 63 CB TYR A 5 7.723 3.274 -17.551 1.00 25.00 C ATOM 64 CG TYR A 5 8.027 2.355 -16.383 1.00 25.00 C ATOM 65 CD1 TYR A 5 8.790 2.788 -15.283 1.00 25.00 C ATOM 66 CD2 TYR A 5 7.555 1.032 -16.376 1.00 25.00 C ATOM 67 CE1 TYR A 5 9.086 1.910 -14.194 1.00 25.00 C ATOM 68 CE2 TYR A 5 7.845 0.153 -15.288 1.00 25.00 C ATOM 69 CZ TYR A 5 8.605 0.591 -14.215 1.00 25.00 C ATOM 70 OH TYR A 5 8.870 -0.289 -13.189 1.00 25.00 O ATOM 0 H TYR A 5 8.413 5.643 -19.057 1.00 25.00 H new ATOM 0 HA TYR A 5 9.812 3.389 -17.657 1.00 25.00 H new ATOM 0 HB2 TYR A 5 7.125 4.115 -17.199 1.00 25.00 H new ATOM 0 HB3 TYR A 5 7.119 2.737 -18.282 1.00 25.00 H new ATOM 0 HD1 TYR A 5 9.159 3.803 -15.261 1.00 25.00 H new ATOM 0 HD2 TYR A 5 6.964 0.674 -17.206 1.00 25.00 H new ATOM 0 HE1 TYR A 5 9.676 2.259 -13.360 1.00 25.00 H new ATOM 0 HE2 TYR A 5 7.470 -0.860 -15.302 1.00 25.00 H new ATOM 0 HH TYR A 5 9.649 -0.836 -13.420 1.00 25.00 H new ATOM 80 N LEU A 6 9.334 2.165 -20.046 1.00 25.00 N ATOM 81 CA LEU A 6 9.546 1.815 -21.463 1.00 25.00 C ATOM 82 C LEU A 6 8.321 2.074 -22.331 1.00 25.00 C ATOM 83 O LEU A 6 8.427 2.711 -23.364 1.00 25.00 O ATOM 84 CB LEU A 6 9.962 0.343 -21.650 1.00 25.00 C ATOM 85 CG LEU A 6 11.458 -0.015 -21.556 1.00 25.00 C ATOM 86 CD1 LEU A 6 12.216 0.600 -22.736 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.106 0.424 -20.242 1.00 25.00 C ATOM 0 H LEU A 6 9.420 1.389 -19.389 1.00 25.00 H new ATOM 0 HA LEU A 6 10.356 2.470 -21.785 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.432 -0.249 -20.904 1.00 25.00 H new ATOM 0 HB3 LEU A 6 9.604 0.019 -22.627 1.00 25.00 H new ATOM 0 HG LEU A 6 11.520 -1.103 -21.589 1.00 25.00 H new ATOM 0 HD11 LEU A 6 13.273 0.343 -22.663 1.00 25.00 H new ATOM 0 HD12 LEU A 6 11.812 0.211 -23.671 1.00 25.00 H new ATOM 0 HD13 LEU A 6 12.104 1.684 -22.715 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.159 0.141 -20.243 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.021 1.506 -20.138 1.00 25.00 H new ATOM 0 HD23 LEU A 6 11.600 -0.061 -19.407 1.00 25.00 H new ATOM 99 N ASN A 7 7.172 1.553 -21.910 1.00 25.00 N ATOM 100 CA ASN A 7 5.910 1.700 -22.647 1.00 25.00 C ATOM 101 C ASN A 7 6.031 1.391 -24.162 1.00 25.00 C ATOM 102 O ASN A 7 5.539 2.131 -25.005 1.00 25.00 O ATOM 103 CB ASN A 7 5.363 3.118 -22.460 1.00 25.00 C ATOM 104 CG ASN A 7 3.898 3.223 -22.817 1.00 25.00 C ATOM 105 OD1 ASN A 7 3.136 2.298 -22.598 1.00 25.00 O ATOM 106 ND2 ASN A 7 3.495 4.354 -23.324 1.00 25.00 N ATOM 0 H ASN A 7 7.084 1.015 -21.048 1.00 25.00 H new ATOM 0 HA ASN A 7 5.226 0.961 -22.231 1.00 25.00 H new ATOM 0 HB2 ASN A 7 5.504 3.425 -21.424 1.00 25.00 H new ATOM 0 HB3 ASN A 7 5.935 3.810 -23.078 1.00 25.00 H new ATOM 0 HD21 ASN A 7 2.510 4.488 -23.552 1.00 25.00 H new ATOM 0 HD22 ASN A 7 4.165 5.105 -23.493 1.00 25.00 H new ATOM 113 N VAL A 8 6.654 0.260 -24.484 1.00 25.00 N ATOM 114 CA VAL A 8 6.748 -0.215 -25.863 1.00 25.00 C ATOM 115 C VAL A 8 5.902 -1.470 -25.862 1.00 25.00 C ATOM 116 O VAL A 8 5.448 -1.889 -24.808 1.00 25.00 O ATOM 117 CB VAL A 8 8.212 -0.527 -26.275 1.00 25.00 C ATOM 118 CG1 VAL A 8 9.059 0.756 -26.259 1.00 25.00 C ATOM 119 CG2 VAL A 8 8.853 -1.588 -25.371 1.00 25.00 C ATOM 0 H VAL A 8 7.105 -0.350 -23.802 1.00 25.00 H new ATOM 0 HA VAL A 8 6.410 0.531 -26.582 1.00 25.00 H new ATOM 0 HB VAL A 8 8.182 -0.930 -27.287 1.00 25.00 H new ATOM 0 HG11 VAL A 8 10.083 0.520 -26.550 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.640 1.478 -26.960 1.00 25.00 H new ATOM 0 HG13 VAL A 8 9.056 1.181 -25.255 1.00 25.00 H new ATOM 0 HG21 VAL A 8 9.876 -1.774 -25.697 1.00 25.00 H new ATOM 0 HG22 VAL A 8 8.859 -1.232 -24.341 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.279 -2.513 -25.432 1.00 25.00 H new ATOM 129 N LEU A 9 5.660 -2.070 -27.012 1.00 25.00 N ATOM 130 CA LEU A 9 4.815 -3.255 -27.090 1.00 25.00 C ATOM 131 C LEU A 9 5.427 -4.293 -27.988 1.00 25.00 C ATOM 132 O LEU A 9 6.233 -3.989 -28.874 1.00 25.00 O ATOM 133 CB LEU A 9 3.405 -2.911 -27.575 1.00 25.00 C ATOM 134 CG LEU A 9 3.311 -1.980 -28.786 1.00 25.00 C ATOM 135 CD1 LEU A 9 2.323 -2.525 -29.811 1.00 25.00 C ATOM 136 CD2 LEU A 9 2.883 -0.594 -28.302 1.00 25.00 C ATOM 0 H LEU A 9 6.035 -1.759 -27.908 1.00 25.00 H new ATOM 0 HA LEU A 9 4.738 -3.662 -26.082 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.891 -3.841 -27.818 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.862 -2.453 -26.749 1.00 25.00 H new ATOM 0 HG LEU A 9 4.283 -1.913 -29.274 1.00 25.00 H new ATOM 0 HD11 LEU A 9 2.272 -1.847 -30.663 1.00 25.00 H new ATOM 0 HD12 LEU A 9 2.653 -3.508 -30.148 1.00 25.00 H new ATOM 0 HD13 LEU A 9 1.336 -2.610 -29.356 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.811 0.083 -29.154 1.00 25.00 H new ATOM 0 HD22 LEU A 9 1.912 -0.664 -27.811 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.620 -0.212 -27.596 1.00 25.00 H new ATOM 148 N ALA A 10 5.045 -5.534 -27.741 1.00 25.00 N ATOM 149 CA ALA A 10 5.597 -6.667 -28.449 1.00 25.00 C ATOM 150 C ALA A 10 4.517 -7.711 -28.734 1.00 25.00 C ATOM 151 O ALA A 10 3.534 -7.829 -28.006 1.00 25.00 O ATOM 152 CB ALA A 10 6.696 -7.288 -27.597 1.00 25.00 C ATOM 0 H ALA A 10 4.343 -5.781 -27.043 1.00 25.00 H new ATOM 0 HA ALA A 10 6.002 -6.328 -29.402 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.121 -8.145 -28.120 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.477 -6.549 -27.415 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.277 -7.615 -26.645 1.00 25.00 H new ATOM 158 N LYS A 11 4.727 -8.475 -29.794 1.00 25.00 N ATOM 159 CA LYS A 11 3.834 -9.568 -30.176 1.00 25.00 C ATOM 160 C LYS A 11 4.379 -10.875 -29.608 1.00 25.00 C ATOM 161 O LYS A 11 5.552 -11.195 -29.820 1.00 25.00 O ATOM 162 CB LYS A 11 3.777 -9.713 -31.708 1.00 25.00 C ATOM 163 CG LYS A 11 2.937 -10.894 -32.186 1.00 25.00 C ATOM 164 CD LYS A 11 3.217 -11.284 -33.634 1.00 25.00 C ATOM 165 CE LYS A 11 2.576 -10.317 -34.586 1.00 25.00 C ATOM 166 NZ LYS A 11 2.723 -10.781 -36.010 1.00 25.00 N ATOM 0 H LYS A 11 5.524 -8.357 -30.419 1.00 25.00 H new ATOM 0 HA LYS A 11 2.838 -9.351 -29.790 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.373 -8.795 -32.135 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.792 -9.823 -32.091 1.00 25.00 H new ATOM 0 HG2 LYS A 11 3.129 -11.752 -31.542 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.881 -10.646 -32.081 1.00 25.00 H new ATOM 0 HD2 LYS A 11 4.293 -11.309 -33.806 1.00 25.00 H new ATOM 0 HD3 LYS A 11 2.840 -12.289 -33.823 1.00 25.00 H new ATOM 0 HE2 LYS A 11 1.519 -10.209 -34.343 1.00 25.00 H new ATOM 0 HE3 LYS A 11 3.032 -9.333 -34.472 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 2.271 -10.094 -36.647 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 3.733 -10.861 -36.247 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 2.267 -11.709 -36.122 1.00 25.00 H new ATOM 180 N ALA A 12 3.508 -11.660 -29.004 1.00 25.00 N ATOM 181 CA ALA A 12 3.875 -13.006 -28.592 1.00 25.00 C ATOM 182 C ALA A 12 3.988 -13.886 -29.821 1.00 25.00 C ATOM 183 O ALA A 12 3.052 -13.990 -30.607 1.00 25.00 O ATOM 184 CB ALA A 12 2.827 -13.562 -27.653 1.00 25.00 C ATOM 0 H ALA A 12 2.547 -11.394 -28.788 1.00 25.00 H new ATOM 0 HA ALA A 12 4.832 -12.981 -28.071 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.109 -14.570 -27.349 1.00 25.00 H new ATOM 0 HB2 ALA A 12 2.753 -12.925 -26.772 1.00 25.00 H new ATOM 0 HB3 ALA A 12 1.863 -13.592 -28.161 1.00 25.00 H new ATOM 190 N LEU A 13 5.143 -14.512 -29.999 1.00 25.00 N ATOM 191 CA LEU A 13 5.377 -15.381 -31.152 1.00 25.00 C ATOM 192 C LEU A 13 4.937 -16.790 -30.804 1.00 25.00 C ATOM 193 O LEU A 13 4.585 -17.569 -31.674 1.00 25.00 O ATOM 194 CB LEU A 13 6.868 -15.398 -31.506 1.00 25.00 C ATOM 195 CG LEU A 13 7.475 -14.050 -31.943 1.00 25.00 C ATOM 196 CD1 LEU A 13 8.988 -14.209 -32.079 1.00 25.00 C ATOM 197 CD2 LEU A 13 6.871 -13.577 -33.283 1.00 25.00 C ATOM 0 H LEU A 13 5.935 -14.436 -29.361 1.00 25.00 H new ATOM 0 HA LEU A 13 4.811 -15.006 -32.004 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.422 -15.760 -30.640 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.022 -16.120 -32.308 1.00 25.00 H new ATOM 0 HG LEU A 13 7.245 -13.297 -31.189 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.427 -13.260 -32.388 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.410 -14.509 -31.120 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.208 -14.971 -32.826 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.317 -12.624 -33.567 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.075 -14.318 -34.056 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.793 -13.455 -33.173 1.00 25.00 H new ATOM 209 N TYR A 14 4.962 -17.098 -29.518 1.00 25.00 N ATOM 210 CA TYR A 14 4.603 -18.416 -29.011 1.00 25.00 C ATOM 211 C TYR A 14 3.608 -18.209 -27.879 1.00 25.00 C ATOM 212 O TYR A 14 3.452 -17.094 -27.394 1.00 25.00 O ATOM 213 CB TYR A 14 5.845 -19.131 -28.478 1.00 25.00 C ATOM 214 CG TYR A 14 7.051 -19.077 -29.406 1.00 25.00 C ATOM 215 CD1 TYR A 14 8.020 -18.058 -29.272 1.00 25.00 C ATOM 216 CD2 TYR A 14 7.245 -20.049 -30.419 1.00 25.00 C ATOM 217 CE1 TYR A 14 9.163 -18.006 -30.118 1.00 25.00 C ATOM 218 CE2 TYR A 14 8.391 -19.996 -31.273 1.00 25.00 C ATOM 219 CZ TYR A 14 9.341 -18.979 -31.103 1.00 25.00 C ATOM 220 OH TYR A 14 10.451 -18.934 -31.909 1.00 25.00 O ATOM 0 H TYR A 14 5.234 -16.437 -28.790 1.00 25.00 H new ATOM 0 HA TYR A 14 4.172 -19.026 -29.804 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.120 -18.690 -27.520 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.595 -20.175 -28.288 1.00 25.00 H new ATOM 0 HD1 TYR A 14 7.891 -17.302 -28.511 1.00 25.00 H new ATOM 0 HD2 TYR A 14 6.519 -20.839 -30.547 1.00 25.00 H new ATOM 0 HE1 TYR A 14 9.890 -17.217 -29.998 1.00 25.00 H new ATOM 0 HE2 TYR A 14 8.524 -20.737 -32.047 1.00 25.00 H new ATOM 0 HH TYR A 14 10.426 -19.682 -32.542 1.00 25.00 H new ATOM 230 N ASP A 15 2.941 -19.273 -27.455 1.00 25.00 N ATOM 231 CA ASP A 15 1.965 -19.185 -26.368 1.00 25.00 C ATOM 232 C ASP A 15 2.577 -19.659 -25.054 1.00 25.00 C ATOM 233 O ASP A 15 3.592 -20.351 -25.051 1.00 25.00 O ATOM 234 CB ASP A 15 0.699 -20.003 -26.706 1.00 25.00 C ATOM 235 CG ASP A 15 1.002 -21.326 -27.400 1.00 25.00 C ATOM 236 OD1 ASP A 15 1.190 -21.324 -28.644 1.00 25.00 O ATOM 237 OD2 ASP A 15 0.955 -22.368 -26.739 1.00 25.00 O ATOM 0 H ASP A 15 3.055 -20.209 -27.844 1.00 25.00 H new ATOM 0 HA ASP A 15 1.677 -18.140 -26.252 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.147 -20.201 -25.787 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.049 -19.406 -27.346 1.00 25.00 H new ATOM 242 N ASN A 16 1.975 -19.242 -23.949 1.00 25.00 N ATOM 243 CA ASN A 16 2.431 -19.615 -22.618 1.00 25.00 C ATOM 244 C ASN A 16 1.271 -19.630 -21.618 1.00 25.00 C ATOM 245 O ASN A 16 0.404 -18.755 -21.632 1.00 25.00 O ATOM 246 CB ASN A 16 3.472 -18.604 -22.138 1.00 25.00 C ATOM 247 CG ASN A 16 4.305 -19.143 -21.034 1.00 25.00 C ATOM 248 OD1 ASN A 16 5.038 -20.089 -21.235 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.209 -18.554 -19.877 1.00 25.00 N ATOM 0 H ASN A 16 1.156 -18.635 -23.951 1.00 25.00 H new ATOM 0 HA ASN A 16 2.860 -20.615 -22.676 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.115 -18.322 -22.972 1.00 25.00 H new ATOM 0 HB3 ASN A 16 2.969 -17.697 -21.803 1.00 25.00 H new ATOM 0 HD21 ASN A 16 4.765 -18.885 -19.089 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.578 -17.762 -19.759 1.00 25.00 H new ATOM 256 N VAL A 17 1.299 -20.563 -20.690 1.00 25.00 N ATOM 257 CA VAL A 17 0.327 -20.613 -19.608 1.00 25.00 C ATOM 258 C VAL A 17 1.194 -20.424 -18.375 1.00 25.00 C ATOM 259 O VAL A 17 2.205 -21.083 -18.241 1.00 25.00 O ATOM 260 CB VAL A 17 -0.432 -21.964 -19.563 1.00 25.00 C ATOM 261 CG1 VAL A 17 -1.396 -22.005 -18.372 1.00 25.00 C ATOM 262 CG2 VAL A 17 -1.229 -22.179 -20.859 1.00 25.00 C ATOM 0 H VAL A 17 1.994 -21.309 -20.661 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.459 -19.865 -19.710 1.00 25.00 H new ATOM 0 HB VAL A 17 0.308 -22.757 -19.456 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -1.918 -22.962 -18.359 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -0.835 -21.886 -17.445 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -2.122 -21.197 -18.463 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -1.755 -23.132 -20.809 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -1.952 -21.372 -20.980 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -0.547 -22.185 -21.709 1.00 25.00 H new ATOM 272 N ALA A 18 0.852 -19.447 -17.544 1.00 25.00 N ATOM 273 CA ALA A 18 1.685 -19.110 -16.406 1.00 25.00 C ATOM 274 C ALA A 18 1.829 -20.293 -15.460 1.00 25.00 C ATOM 275 O ALA A 18 0.837 -20.874 -15.022 1.00 25.00 O ATOM 276 CB ALA A 18 1.098 -17.910 -15.666 1.00 25.00 C ATOM 0 H ALA A 18 0.009 -18.880 -17.639 1.00 25.00 H new ATOM 0 HA ALA A 18 2.678 -18.853 -16.775 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.730 -17.664 -14.813 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.049 -17.055 -16.340 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.095 -18.153 -15.316 1.00 25.00 H new ATOM 282 N GLU A 19 3.068 -20.621 -15.136 1.00 25.00 N ATOM 283 CA GLU A 19 3.384 -21.731 -14.234 1.00 25.00 C ATOM 284 C GLU A 19 3.629 -21.181 -12.825 1.00 25.00 C ATOM 285 O GLU A 19 3.802 -21.920 -11.856 1.00 25.00 O ATOM 286 CB GLU A 19 4.636 -22.462 -14.745 1.00 25.00 C ATOM 287 CG GLU A 19 4.501 -22.977 -16.184 1.00 25.00 C ATOM 288 CD GLU A 19 5.671 -23.858 -16.600 1.00 25.00 C ATOM 289 OE1 GLU A 19 6.562 -23.356 -17.329 1.00 25.00 O ATOM 290 OE2 GLU A 19 5.671 -25.064 -16.250 1.00 25.00 O ATOM 0 H GLU A 19 3.889 -20.129 -15.488 1.00 25.00 H new ATOM 0 HA GLU A 19 2.552 -22.434 -14.203 1.00 25.00 H new ATOM 0 HB2 GLU A 19 5.490 -21.787 -14.688 1.00 25.00 H new ATOM 0 HB3 GLU A 19 4.850 -23.303 -14.085 1.00 25.00 H new ATOM 0 HG2 GLU A 19 3.573 -23.542 -16.279 1.00 25.00 H new ATOM 0 HG3 GLU A 19 4.429 -22.129 -16.865 1.00 25.00 H new ATOM 297 N SER A 20 3.639 -19.859 -12.722 1.00 25.00 N ATOM 298 CA SER A 20 3.919 -19.165 -11.469 1.00 25.00 C ATOM 299 C SER A 20 3.011 -17.946 -11.365 1.00 25.00 C ATOM 300 O SER A 20 2.625 -17.376 -12.387 1.00 25.00 O ATOM 301 CB SER A 20 5.374 -18.700 -11.487 1.00 25.00 C ATOM 302 OG SER A 20 5.695 -17.904 -10.356 1.00 25.00 O ATOM 0 H SER A 20 3.453 -19.234 -13.507 1.00 25.00 H new ATOM 0 HA SER A 20 3.745 -19.829 -10.622 1.00 25.00 H new ATOM 0 HB2 SER A 20 6.031 -19.569 -11.516 1.00 25.00 H new ATOM 0 HB3 SER A 20 5.560 -18.129 -12.396 1.00 25.00 H new ATOM 0 HG SER A 20 6.634 -17.629 -10.405 1.00 25.00 H new ATOM 308 N PRO A 21 2.691 -17.491 -10.129 1.00 25.00 N ATOM 309 CA PRO A 21 1.890 -16.265 -10.058 1.00 25.00 C ATOM 310 C PRO A 21 2.649 -15.026 -10.558 1.00 25.00 C ATOM 311 O PRO A 21 2.028 -14.063 -11.004 1.00 25.00 O ATOM 312 CB PRO A 21 1.592 -16.139 -8.566 1.00 25.00 C ATOM 313 CG PRO A 21 2.751 -16.802 -7.903 1.00 25.00 C ATOM 314 CD PRO A 21 3.018 -17.994 -8.778 1.00 25.00 C ATOM 0 HA PRO A 21 1.004 -16.320 -10.691 1.00 25.00 H new ATOM 0 HB2 PRO A 21 1.505 -15.095 -8.264 1.00 25.00 H new ATOM 0 HB3 PRO A 21 0.652 -16.626 -8.305 1.00 25.00 H new ATOM 0 HG2 PRO A 21 3.616 -16.141 -7.850 1.00 25.00 H new ATOM 0 HG3 PRO A 21 2.514 -17.099 -6.881 1.00 25.00 H new ATOM 0 HD2 PRO A 21 4.055 -18.322 -8.709 1.00 25.00 H new ATOM 0 HD3 PRO A 21 2.396 -18.845 -8.502 1.00 25.00 H new ATOM 322 N ASP A 22 3.977 -15.094 -10.531 1.00 25.00 N ATOM 323 CA ASP A 22 4.823 -13.989 -10.992 1.00 25.00 C ATOM 324 C ASP A 22 4.804 -13.901 -12.506 1.00 25.00 C ATOM 325 O ASP A 22 5.179 -12.891 -13.075 1.00 25.00 O ATOM 326 CB ASP A 22 6.294 -14.257 -10.621 1.00 25.00 C ATOM 327 CG ASP A 22 6.576 -14.073 -9.141 1.00 25.00 C ATOM 328 OD1 ASP A 22 7.717 -13.673 -8.820 1.00 25.00 O ATOM 329 OD2 ASP A 22 5.711 -14.411 -8.290 1.00 25.00 O ATOM 0 H ASP A 22 4.496 -15.905 -10.194 1.00 25.00 H new ATOM 0 HA ASP A 22 4.441 -13.079 -10.529 1.00 25.00 H new ATOM 0 HB2 ASP A 22 6.557 -15.274 -10.911 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.935 -13.587 -11.193 1.00 25.00 H new ATOM 334 N GLU A 23 4.417 -14.991 -13.160 1.00 25.00 N ATOM 335 CA GLU A 23 4.511 -15.095 -14.617 1.00 25.00 C ATOM 336 C GLU A 23 3.199 -14.722 -15.301 1.00 25.00 C ATOM 337 O GLU A 23 2.124 -14.863 -14.725 1.00 25.00 O ATOM 338 CB GLU A 23 4.912 -16.527 -14.980 1.00 25.00 C ATOM 339 CG GLU A 23 5.377 -16.689 -16.413 1.00 25.00 C ATOM 340 CD GLU A 23 5.800 -18.097 -16.737 1.00 25.00 C ATOM 341 OE1 GLU A 23 5.082 -19.039 -16.339 1.00 25.00 O ATOM 342 OE2 GLU A 23 6.813 -18.255 -17.457 1.00 25.00 O ATOM 0 H GLU A 23 4.034 -15.819 -12.705 1.00 25.00 H new ATOM 0 HA GLU A 23 5.264 -14.390 -14.970 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.709 -16.852 -14.311 1.00 25.00 H new ATOM 0 HB3 GLU A 23 4.062 -17.187 -14.807 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.572 -16.393 -17.086 1.00 25.00 H new ATOM 0 HG3 GLU A 23 6.212 -16.013 -16.597 1.00 25.00 H new ATOM 349 N LEU A 24 3.272 -14.250 -16.534 1.00 25.00 N ATOM 350 CA LEU A 24 2.076 -13.896 -17.285 1.00 25.00 C ATOM 351 C LEU A 24 1.634 -14.970 -18.278 1.00 25.00 C ATOM 352 O LEU A 24 2.428 -15.523 -19.022 1.00 25.00 O ATOM 353 CB LEU A 24 2.318 -12.595 -18.040 1.00 25.00 C ATOM 354 CG LEU A 24 1.414 -11.433 -17.614 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.830 -10.219 -18.380 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.082 -11.720 -17.852 1.00 25.00 C ATOM 0 H LEU A 24 4.147 -14.102 -17.038 1.00 25.00 H new ATOM 0 HA LEU A 24 1.274 -13.789 -16.554 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.358 -12.298 -17.903 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.176 -12.777 -19.105 1.00 25.00 H new ATOM 0 HG LEU A 24 1.530 -11.283 -16.541 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.201 -9.376 -18.095 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.871 -9.987 -18.157 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.722 -10.408 -19.448 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.673 -10.862 -17.531 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.253 -11.902 -18.913 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.379 -12.599 -17.280 1.00 25.00 H new ATOM 368 N SER A 25 0.325 -15.195 -18.337 1.00 25.00 N ATOM 369 CA SER A 25 -0.257 -16.074 -19.355 1.00 25.00 C ATOM 370 C SER A 25 -0.517 -15.218 -20.577 1.00 25.00 C ATOM 371 O SER A 25 -1.005 -14.100 -20.449 1.00 25.00 O ATOM 372 CB SER A 25 -1.586 -16.661 -18.878 1.00 25.00 C ATOM 373 OG SER A 25 -1.399 -17.452 -17.710 1.00 25.00 O ATOM 0 H SER A 25 -0.354 -14.784 -17.696 1.00 25.00 H new ATOM 0 HA SER A 25 0.423 -16.899 -19.566 1.00 25.00 H new ATOM 0 HB2 SER A 25 -2.290 -15.856 -18.668 1.00 25.00 H new ATOM 0 HB3 SER A 25 -2.024 -17.270 -19.669 1.00 25.00 H new ATOM 0 HG SER A 25 -2.261 -17.817 -17.420 1.00 25.00 H new ATOM 379 N PHE A 26 -0.199 -15.723 -21.752 1.00 25.00 N ATOM 380 CA PHE A 26 -0.395 -14.989 -23.004 1.00 25.00 C ATOM 381 C PHE A 26 -0.382 -16.017 -24.117 1.00 25.00 C ATOM 382 O PHE A 26 0.076 -17.127 -23.916 1.00 25.00 O ATOM 383 CB PHE A 26 0.721 -13.946 -23.214 1.00 25.00 C ATOM 384 CG PHE A 26 2.110 -14.527 -23.226 1.00 25.00 C ATOM 385 CD1 PHE A 26 2.881 -14.534 -22.051 1.00 25.00 C ATOM 386 CD2 PHE A 26 2.662 -15.059 -24.414 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.174 -15.084 -22.035 1.00 25.00 C ATOM 388 CE2 PHE A 26 3.970 -15.604 -24.420 1.00 25.00 C ATOM 389 CZ PHE A 26 4.729 -15.620 -23.231 1.00 25.00 C ATOM 0 H PHE A 26 0.203 -16.652 -21.875 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.337 -14.442 -22.987 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.547 -13.428 -24.157 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.658 -13.198 -22.424 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.473 -14.110 -21.145 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.082 -15.050 -25.325 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.745 -15.100 -21.118 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.385 -16.006 -25.333 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.725 -16.037 -23.228 1.00 25.00 H new ATOM 399 N ARG A 27 -0.883 -15.681 -25.295 1.00 25.00 N ATOM 400 CA ARG A 27 -0.882 -16.647 -26.402 1.00 25.00 C ATOM 401 C ARG A 27 -0.292 -16.046 -27.654 1.00 25.00 C ATOM 402 O ARG A 27 -0.259 -14.843 -27.811 1.00 25.00 O ATOM 403 CB ARG A 27 -2.303 -17.172 -26.664 1.00 25.00 C ATOM 404 CG ARG A 27 -2.824 -18.077 -25.531 1.00 25.00 C ATOM 405 CD ARG A 27 -4.178 -18.698 -25.853 1.00 25.00 C ATOM 406 NE ARG A 27 -5.249 -17.693 -25.837 1.00 25.00 N ATOM 407 CZ ARG A 27 -5.965 -17.347 -24.771 1.00 25.00 C ATOM 408 NH1 ARG A 27 -5.784 -17.874 -23.586 1.00 25.00 N ATOM 409 NH2 ARG A 27 -6.889 -16.435 -24.907 1.00 25.00 N ATOM 0 H ARG A 27 -1.288 -14.771 -25.515 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.253 -17.488 -26.111 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.980 -16.327 -26.788 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.313 -17.729 -27.601 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -2.100 -18.870 -25.342 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -2.905 -17.494 -24.613 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -4.138 -19.173 -26.833 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -4.402 -19.481 -25.129 1.00 25.00 H new ATOM 0 HE ARG A 27 -5.461 -17.221 -26.716 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -5.066 -18.585 -23.448 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -6.361 -17.573 -22.800 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -7.050 -16.004 -25.817 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -7.450 -16.154 -24.103 1.00 25.00 H new ATOM 423 N LYS A 28 0.161 -16.921 -28.540 1.00 25.00 N ATOM 424 CA LYS A 28 0.739 -16.517 -29.819 1.00 25.00 C ATOM 425 C LYS A 28 -0.231 -15.608 -30.564 1.00 25.00 C ATOM 426 O LYS A 28 -1.427 -15.883 -30.648 1.00 25.00 O ATOM 427 CB LYS A 28 1.092 -17.747 -30.669 1.00 25.00 C ATOM 428 CG LYS A 28 -0.052 -18.746 -30.861 1.00 25.00 C ATOM 429 CD LYS A 28 0.427 -20.036 -31.488 1.00 25.00 C ATOM 430 CE LYS A 28 -0.648 -21.111 -31.394 1.00 25.00 C ATOM 431 NZ LYS A 28 -0.015 -22.468 -31.391 1.00 25.00 N ATOM 0 H LYS A 28 0.140 -17.930 -28.395 1.00 25.00 H new ATOM 0 HA LYS A 28 1.660 -15.965 -29.628 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.429 -17.409 -31.649 1.00 25.00 H new ATOM 0 HB3 LYS A 28 1.932 -18.263 -30.204 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.513 -18.960 -29.897 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.822 -18.300 -31.491 1.00 25.00 H new ATOM 0 HD2 LYS A 28 0.686 -19.864 -32.533 1.00 25.00 H new ATOM 0 HD3 LYS A 28 1.333 -20.376 -30.986 1.00 25.00 H new ATOM 0 HE2 LYS A 28 -1.235 -20.972 -30.486 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -1.336 -21.023 -32.235 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 -0.757 -23.197 -31.395 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 0.581 -22.575 -32.237 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 0.571 -22.576 -30.539 1.00 25.00 H new ATOM 445 N GLY A 29 0.290 -14.497 -31.056 1.00 25.00 N ATOM 446 CA GLY A 29 -0.515 -13.508 -31.760 1.00 25.00 C ATOM 447 C GLY A 29 -0.958 -12.357 -30.873 1.00 25.00 C ATOM 448 O GLY A 29 -1.250 -11.275 -31.385 1.00 25.00 O ATOM 0 H GLY A 29 1.278 -14.254 -30.980 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.058 -13.112 -32.598 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.395 -13.996 -32.178 1.00 25.00 H new ATOM 452 N ASP A 30 -1.010 -12.561 -29.565 1.00 25.00 N ATOM 453 CA ASP A 30 -1.432 -11.518 -28.618 1.00 25.00 C ATOM 454 C ASP A 30 -0.361 -10.431 -28.494 1.00 25.00 C ATOM 455 O ASP A 30 0.812 -10.650 -28.827 1.00 25.00 O ATOM 456 CB ASP A 30 -1.714 -12.154 -27.259 1.00 25.00 C ATOM 457 CG ASP A 30 -2.810 -11.445 -26.488 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.167 -10.303 -26.839 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.360 -12.075 -25.556 1.00 25.00 O ATOM 0 H ASP A 30 -0.764 -13.447 -29.123 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.342 -11.046 -28.989 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.996 -13.197 -27.404 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.800 -12.150 -26.666 1.00 25.00 H new ATOM 464 N ILE A 31 -0.793 -9.258 -28.071 1.00 25.00 N ATOM 465 CA ILE A 31 0.080 -8.085 -27.976 1.00 25.00 C ATOM 466 C ILE A 31 0.091 -7.608 -26.521 1.00 25.00 C ATOM 467 O ILE A 31 -0.968 -7.414 -25.927 1.00 25.00 O ATOM 468 CB ILE A 31 -0.446 -6.898 -28.866 1.00 25.00 C ATOM 469 CG1 ILE A 31 -0.705 -7.353 -30.325 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.531 -5.699 -28.828 1.00 25.00 C ATOM 471 CD1 ILE A 31 0.510 -7.899 -31.095 1.00 25.00 C ATOM 0 H ILE A 31 -1.756 -9.083 -27.782 1.00 25.00 H new ATOM 0 HA ILE A 31 1.074 -8.371 -28.321 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.398 -6.573 -28.447 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.476 -8.124 -30.311 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.110 -6.507 -30.880 1.00 25.00 H new ATOM 0 HG21 ILE A 31 0.143 -4.893 -29.451 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.634 -5.346 -27.802 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.505 -6.011 -29.204 1.00 25.00 H new ATOM 0 HD11 ILE A 31 0.205 -8.184 -32.102 1.00 25.00 H new ATOM 0 HD12 ILE A 31 1.279 -7.129 -31.154 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.908 -8.771 -30.576 1.00 25.00 H new ATOM 483 N MET A 32 1.276 -7.377 -25.969 1.00 25.00 N ATOM 484 CA MET A 32 1.407 -6.881 -24.598 1.00 25.00 C ATOM 485 C MET A 32 2.360 -5.704 -24.526 1.00 25.00 C ATOM 486 O MET A 32 3.289 -5.584 -25.335 1.00 25.00 O ATOM 487 CB MET A 32 1.907 -7.990 -23.672 1.00 25.00 C ATOM 488 CG MET A 32 3.247 -8.592 -24.076 1.00 25.00 C ATOM 489 SD MET A 32 3.291 -10.362 -23.717 1.00 25.00 S ATOM 490 CE MET A 32 2.189 -10.999 -25.007 1.00 25.00 C ATOM 0 H MET A 32 2.164 -7.525 -26.448 1.00 25.00 H new ATOM 0 HA MET A 32 0.419 -6.553 -24.275 1.00 25.00 H new ATOM 0 HB2 MET A 32 1.992 -7.592 -22.661 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.161 -8.784 -23.640 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.418 -8.428 -25.140 1.00 25.00 H new ATOM 0 HG3 MET A 32 4.053 -8.088 -23.542 1.00 25.00 H new ATOM 0 HE1 MET A 32 2.141 -12.086 -24.940 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.191 -10.583 -24.871 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.572 -10.712 -25.987 1.00 25.00 H new ATOM 500 N THR A 33 2.131 -4.851 -23.540 1.00 25.00 N ATOM 501 CA THR A 33 3.000 -3.701 -23.308 1.00 25.00 C ATOM 502 C THR A 33 4.175 -4.164 -22.456 1.00 25.00 C ATOM 503 O THR A 33 3.974 -4.819 -21.446 1.00 25.00 O ATOM 504 CB THR A 33 2.239 -2.590 -22.571 1.00 25.00 C ATOM 505 OG1 THR A 33 1.060 -2.259 -23.317 1.00 25.00 O ATOM 506 CG2 THR A 33 3.087 -1.335 -22.423 1.00 25.00 C ATOM 0 H THR A 33 1.352 -4.931 -22.886 1.00 25.00 H new ATOM 0 HA THR A 33 3.346 -3.303 -24.262 1.00 25.00 H new ATOM 0 HB THR A 33 1.985 -2.956 -21.576 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.567 -1.551 -22.852 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.516 -0.570 -21.897 1.00 25.00 H new ATOM 0 HG22 THR A 33 3.988 -1.569 -21.856 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.365 -0.965 -23.410 1.00 25.00 H new ATOM 514 N VAL A 34 5.380 -3.812 -22.853 1.00 25.00 N ATOM 515 CA VAL A 34 6.588 -4.126 -22.070 1.00 25.00 C ATOM 516 C VAL A 34 6.891 -2.888 -21.238 1.00 25.00 C ATOM 517 O VAL A 34 7.008 -1.775 -21.762 1.00 25.00 O ATOM 518 CB VAL A 34 7.813 -4.491 -22.964 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.084 -4.646 -22.106 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.553 -5.787 -23.754 1.00 25.00 C ATOM 0 H VAL A 34 5.564 -3.304 -23.718 1.00 25.00 H new ATOM 0 HA VAL A 34 6.406 -5.005 -21.451 1.00 25.00 H new ATOM 0 HB VAL A 34 7.962 -3.677 -23.673 1.00 25.00 H new ATOM 0 HG11 VAL A 34 9.927 -4.901 -22.748 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.291 -3.709 -21.590 1.00 25.00 H new ATOM 0 HG13 VAL A 34 8.934 -5.439 -21.373 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.422 -6.019 -24.369 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.371 -6.607 -23.059 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.681 -5.654 -24.394 1.00 25.00 H new ATOM 530 N LEU A 35 6.951 -3.080 -19.928 1.00 25.00 N ATOM 531 CA LEU A 35 7.108 -1.976 -18.996 1.00 25.00 C ATOM 532 C LEU A 35 8.581 -1.749 -18.667 1.00 25.00 C ATOM 533 O LEU A 35 9.036 -0.606 -18.578 1.00 25.00 O ATOM 534 CB LEU A 35 6.318 -2.278 -17.719 1.00 25.00 C ATOM 535 CG LEU A 35 4.803 -2.463 -17.908 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.180 -2.888 -16.580 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.131 -1.169 -18.390 1.00 25.00 C ATOM 0 H LEU A 35 6.893 -3.997 -19.486 1.00 25.00 H new ATOM 0 HA LEU A 35 6.723 -1.066 -19.456 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.724 -3.183 -17.267 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.482 -1.466 -17.010 1.00 25.00 H new ATOM 0 HG LEU A 35 4.647 -3.229 -18.667 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.106 -3.021 -16.708 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.625 -3.828 -16.253 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.364 -2.119 -15.829 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.061 -1.338 -18.512 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.292 -0.380 -17.655 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.562 -0.869 -19.345 1.00 25.00 H new ATOM 549 N GLU A 36 9.320 -2.845 -18.509 1.00 25.00 N ATOM 550 CA GLU A 36 10.764 -2.814 -18.256 1.00 25.00 C ATOM 551 C GLU A 36 11.351 -4.170 -18.624 1.00 25.00 C ATOM 552 O GLU A 36 10.605 -5.107 -18.937 1.00 25.00 O ATOM 553 CB GLU A 36 11.087 -2.469 -16.798 1.00 25.00 C ATOM 554 CG GLU A 36 10.669 -3.505 -15.780 1.00 25.00 C ATOM 555 CD GLU A 36 11.023 -3.068 -14.360 1.00 25.00 C ATOM 556 OE1 GLU A 36 10.761 -3.859 -13.430 1.00 25.00 O ATOM 557 OE2 GLU A 36 11.521 -1.942 -14.171 1.00 25.00 O ATOM 0 H GLU A 36 8.933 -3.788 -18.553 1.00 25.00 H new ATOM 0 HA GLU A 36 11.208 -2.030 -18.869 1.00 25.00 H new ATOM 0 HB2 GLU A 36 12.162 -2.310 -16.709 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.603 -1.524 -16.550 1.00 25.00 H new ATOM 0 HG2 GLU A 36 9.595 -3.675 -15.852 1.00 25.00 H new ATOM 0 HG3 GLU A 36 11.158 -4.453 -16.003 1.00 25.00 H new ATOM 564 N ARG A 37 12.673 -4.271 -18.615 1.00 25.00 N ATOM 565 CA ARG A 37 13.378 -5.504 -18.952 1.00 25.00 C ATOM 566 C ARG A 37 14.223 -5.907 -17.748 1.00 25.00 C ATOM 567 O ARG A 37 14.488 -5.074 -16.909 1.00 25.00 O ATOM 568 CB ARG A 37 14.296 -5.295 -20.148 1.00 25.00 C ATOM 569 CG ARG A 37 13.582 -4.894 -21.425 1.00 25.00 C ATOM 570 CD ARG A 37 14.581 -4.841 -22.581 1.00 25.00 C ATOM 571 NE ARG A 37 15.641 -3.852 -22.327 1.00 25.00 N ATOM 572 CZ ARG A 37 15.648 -2.594 -22.745 1.00 25.00 C ATOM 573 NH1 ARG A 37 14.672 -2.088 -23.472 1.00 25.00 N ATOM 574 NH2 ARG A 37 16.648 -1.828 -22.420 1.00 25.00 N ATOM 0 H ARG A 37 13.291 -3.497 -18.373 1.00 25.00 H new ATOM 0 HA ARG A 37 12.652 -6.277 -19.205 1.00 25.00 H new ATOM 0 HB2 ARG A 37 15.028 -4.526 -19.899 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.850 -6.216 -20.330 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.790 -5.608 -21.649 1.00 25.00 H new ATOM 0 HG3 ARG A 37 13.107 -3.921 -21.297 1.00 25.00 H new ATOM 0 HD2 ARG A 37 15.026 -5.825 -22.725 1.00 25.00 H new ATOM 0 HD3 ARG A 37 14.059 -4.589 -23.504 1.00 25.00 H new ATOM 0 HE ARG A 37 16.443 -4.163 -21.779 1.00 25.00 H new ATOM 0 HH11 ARG A 37 13.875 -2.670 -23.732 1.00 25.00 H new ATOM 0 HH12 ARG A 37 14.713 -1.115 -23.775 1.00 25.00 H new ATOM 0 HH21 ARG A 37 17.410 -2.198 -21.852 1.00 25.00 H new ATOM 0 HH22 ARG A 37 16.670 -0.857 -22.733 1.00 25.00 H new ATOM 588 N ASP A 38 14.629 -7.177 -17.695 1.00 25.00 N ATOM 589 CA ASP A 38 15.467 -7.726 -16.608 1.00 25.00 C ATOM 590 C ASP A 38 14.889 -7.351 -15.226 1.00 25.00 C ATOM 591 O ASP A 38 15.599 -7.033 -14.286 1.00 25.00 O ATOM 592 CB ASP A 38 16.984 -7.379 -16.758 1.00 25.00 C ATOM 593 CG ASP A 38 17.256 -6.093 -17.555 1.00 25.00 C ATOM 594 OD1 ASP A 38 17.086 -6.110 -18.812 1.00 25.00 O ATOM 595 OD2 ASP A 38 17.770 -5.118 -16.957 1.00 25.00 O ATOM 0 H ASP A 38 14.387 -7.866 -18.408 1.00 25.00 H new ATOM 0 HA ASP A 38 15.429 -8.812 -16.691 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.423 -7.279 -15.765 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.490 -8.211 -17.247 1.00 25.00 H new ATOM 600 N THR A 39 13.571 -7.463 -15.112 1.00 25.00 N ATOM 601 CA THR A 39 12.848 -7.083 -13.894 1.00 25.00 C ATOM 602 C THR A 39 13.147 -8.019 -12.719 1.00 25.00 C ATOM 603 O THR A 39 13.020 -7.640 -11.564 1.00 25.00 O ATOM 604 CB THR A 39 11.307 -7.077 -14.185 1.00 25.00 C ATOM 605 OG1 THR A 39 10.591 -6.543 -13.073 1.00 25.00 O ATOM 606 CG2 THR A 39 10.768 -8.487 -14.486 1.00 25.00 C ATOM 0 H THR A 39 12.971 -7.818 -15.856 1.00 25.00 H new ATOM 0 HA THR A 39 13.186 -6.087 -13.608 1.00 25.00 H new ATOM 0 HB THR A 39 11.158 -6.453 -15.066 1.00 25.00 H new ATOM 0 HG1 THR A 39 10.694 -5.569 -13.055 1.00 25.00 H new ATOM 0 HG21 THR A 39 9.697 -8.433 -14.681 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.276 -8.892 -15.361 1.00 25.00 H new ATOM 0 HG23 THR A 39 10.948 -9.136 -13.629 1.00 25.00 H new ATOM 614 N GLN A 40 13.598 -9.226 -13.036 1.00 25.00 N ATOM 615 CA GLN A 40 13.932 -10.218 -12.013 1.00 25.00 C ATOM 616 C GLN A 40 15.442 -10.213 -11.746 1.00 25.00 C ATOM 617 O GLN A 40 15.968 -11.051 -11.020 1.00 25.00 O ATOM 618 CB GLN A 40 13.485 -11.612 -12.484 1.00 25.00 C ATOM 619 CG GLN A 40 12.876 -12.477 -11.373 1.00 25.00 C ATOM 620 CD GLN A 40 11.442 -12.104 -11.019 1.00 25.00 C ATOM 621 OE1 GLN A 40 10.934 -11.078 -11.438 1.00 25.00 O ATOM 622 NE2 GLN A 40 10.785 -12.944 -10.254 1.00 25.00 N ATOM 0 H GLN A 40 13.742 -9.545 -13.994 1.00 25.00 H new ATOM 0 HA GLN A 40 13.413 -9.967 -11.088 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.754 -11.497 -13.284 1.00 25.00 H new ATOM 0 HB3 GLN A 40 14.343 -12.134 -12.909 1.00 25.00 H new ATOM 0 HG2 GLN A 40 12.904 -13.522 -11.682 1.00 25.00 H new ATOM 0 HG3 GLN A 40 13.495 -12.393 -10.479 1.00 25.00 H new ATOM 0 HE21 GLN A 40 11.241 -13.794 -9.921 1.00 25.00 H new ATOM 0 HE22 GLN A 40 9.819 -12.747 -9.993 1.00 25.00 H new ATOM 631 N GLY A 41 16.147 -9.329 -12.447 1.00 25.00 N ATOM 632 CA GLY A 41 17.605 -9.298 -12.434 1.00 25.00 C ATOM 633 C GLY A 41 18.160 -10.339 -13.394 1.00 25.00 C ATOM 634 O GLY A 41 19.308 -10.252 -13.835 1.00 25.00 O ATOM 0 H GLY A 41 15.723 -8.615 -13.039 1.00 25.00 H new ATOM 0 HA2 GLY A 41 17.958 -8.306 -12.717 1.00 25.00 H new ATOM 0 HA3 GLY A 41 17.971 -9.490 -11.426 1.00 25.00 H new ATOM 638 N LEU A 42 17.323 -11.319 -13.723 1.00 25.00 N ATOM 639 CA LEU A 42 17.666 -12.363 -14.673 1.00 25.00 C ATOM 640 C LEU A 42 17.517 -11.741 -16.050 1.00 25.00 C ATOM 641 O LEU A 42 16.521 -11.061 -16.320 1.00 25.00 O ATOM 642 CB LEU A 42 16.690 -13.549 -14.534 1.00 25.00 C ATOM 643 CG LEU A 42 16.672 -14.270 -13.183 1.00 25.00 C ATOM 644 CD1 LEU A 42 15.588 -15.338 -13.207 1.00 25.00 C ATOM 645 CD2 LEU A 42 18.036 -14.910 -12.849 1.00 25.00 C ATOM 0 H LEU A 42 16.384 -11.408 -13.334 1.00 25.00 H new ATOM 0 HA LEU A 42 18.675 -12.738 -14.503 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.683 -13.187 -14.740 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.930 -14.280 -15.306 1.00 25.00 H new ATOM 0 HG LEU A 42 16.463 -13.534 -12.406 1.00 25.00 H new ATOM 0 HD11 LEU A 42 15.567 -15.857 -12.249 1.00 25.00 H new ATOM 0 HD12 LEU A 42 14.620 -14.870 -13.387 1.00 25.00 H new ATOM 0 HD13 LEU A 42 15.799 -16.053 -14.002 1.00 25.00 H new ATOM 0 HD21 LEU A 42 17.976 -15.410 -11.882 1.00 25.00 H new ATOM 0 HD22 LEU A 42 18.295 -15.637 -13.618 1.00 25.00 H new ATOM 0 HD23 LEU A 42 18.802 -14.135 -12.810 1.00 25.00 H new ATOM 657 N ASP A 43 18.495 -11.944 -16.921 1.00 25.00 N ATOM 658 CA ASP A 43 18.456 -11.330 -18.237 1.00 25.00 C ATOM 659 C ASP A 43 17.334 -11.921 -19.072 1.00 25.00 C ATOM 660 O ASP A 43 16.895 -13.056 -18.860 1.00 25.00 O ATOM 661 CB ASP A 43 19.789 -11.523 -18.970 1.00 25.00 C ATOM 662 CG ASP A 43 19.990 -12.953 -19.423 1.00 25.00 C ATOM 663 OD1 ASP A 43 19.827 -13.213 -20.633 1.00 25.00 O ATOM 664 OD2 ASP A 43 20.336 -13.804 -18.577 1.00 25.00 O ATOM 0 H ASP A 43 19.316 -12.523 -16.742 1.00 25.00 H new ATOM 0 HA ASP A 43 18.277 -10.264 -18.098 1.00 25.00 H new ATOM 0 HB2 ASP A 43 19.825 -10.861 -19.835 1.00 25.00 H new ATOM 0 HB3 ASP A 43 20.609 -11.233 -18.312 1.00 25.00 H new ATOM 669 N GLY A 44 16.855 -11.136 -20.016 1.00 25.00 N ATOM 670 CA GLY A 44 15.823 -11.594 -20.930 1.00 25.00 C ATOM 671 C GLY A 44 14.408 -11.603 -20.371 1.00 25.00 C ATOM 672 O GLY A 44 13.452 -11.604 -21.134 1.00 25.00 O ATOM 0 H GLY A 44 17.163 -10.176 -20.172 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.840 -10.960 -21.817 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.073 -12.604 -21.255 1.00 25.00 H new ATOM 676 N TRP A 45 14.243 -11.594 -19.058 1.00 25.00 N ATOM 677 CA TRP A 45 12.905 -11.615 -18.461 1.00 25.00 C ATOM 678 C TRP A 45 12.316 -10.216 -18.377 1.00 25.00 C ATOM 679 O TRP A 45 12.773 -9.388 -17.598 1.00 25.00 O ATOM 680 CB TRP A 45 12.968 -12.239 -17.069 1.00 25.00 C ATOM 681 CG TRP A 45 13.157 -13.715 -17.142 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.322 -14.406 -17.077 1.00 25.00 C ATOM 683 CD2 TRP A 45 12.133 -14.707 -17.317 1.00 25.00 C ATOM 684 NE1 TRP A 45 14.119 -15.754 -17.187 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.780 -15.980 -17.327 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.736 -14.655 -17.467 1.00 25.00 C ATOM 687 CZ2 TRP A 45 12.063 -17.190 -17.472 1.00 25.00 C ATOM 688 CZ3 TRP A 45 10.013 -15.862 -17.603 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.684 -17.121 -17.601 1.00 25.00 C ATOM 0 H TRP A 45 15.009 -11.572 -18.384 1.00 25.00 H new ATOM 0 HA TRP A 45 12.258 -12.216 -19.100 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.788 -11.793 -16.506 1.00 25.00 H new ATOM 0 HB3 TRP A 45 12.050 -12.015 -16.526 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.292 -13.948 -16.953 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.845 -16.470 -17.168 1.00 25.00 H new ATOM 0 HE3 TRP A 45 10.222 -13.705 -17.478 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.575 -18.141 -17.482 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.939 -15.831 -17.710 1.00 25.00 H new ATOM 0 HH2 TRP A 45 10.111 -18.031 -17.701 1.00 25.00 H new ATOM 700 N TRP A 46 11.340 -9.928 -19.226 1.00 25.00 N ATOM 701 CA TRP A 46 10.761 -8.595 -19.294 1.00 25.00 C ATOM 702 C TRP A 46 9.496 -8.536 -18.467 1.00 25.00 C ATOM 703 O TRP A 46 8.740 -9.501 -18.413 1.00 25.00 O ATOM 704 CB TRP A 46 10.413 -8.254 -20.745 1.00 25.00 C ATOM 705 CG TRP A 46 11.587 -8.290 -21.692 1.00 25.00 C ATOM 706 CD1 TRP A 46 12.910 -8.430 -21.389 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.538 -8.197 -23.132 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.681 -8.452 -22.511 1.00 25.00 N ATOM 709 CE2 TRP A 46 12.874 -8.307 -23.604 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.496 -8.050 -24.063 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.195 -8.272 -24.975 1.00 25.00 C ATOM 712 CZ3 TRP A 46 10.807 -8.029 -25.449 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.156 -8.135 -25.888 1.00 25.00 C ATOM 0 H TRP A 46 10.933 -10.600 -19.877 1.00 25.00 H new ATOM 0 HA TRP A 46 11.488 -7.881 -18.907 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.655 -8.953 -21.098 1.00 25.00 H new ATOM 0 HB3 TRP A 46 9.968 -7.260 -20.775 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.297 -8.513 -20.384 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.695 -8.559 -22.532 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.473 -7.954 -23.730 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.220 -8.349 -25.307 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.013 -7.932 -26.175 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.376 -8.109 -26.945 1.00 25.00 H new ATOM 724 N LEU A 47 9.215 -7.383 -17.875 1.00 25.00 N ATOM 725 CA LEU A 47 7.952 -7.171 -17.184 1.00 25.00 C ATOM 726 C LEU A 47 6.968 -6.722 -18.251 1.00 25.00 C ATOM 727 O LEU A 47 7.183 -5.685 -18.878 1.00 25.00 O ATOM 728 CB LEU A 47 8.080 -6.080 -16.124 1.00 25.00 C ATOM 729 CG LEU A 47 6.843 -5.848 -15.240 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.536 -7.076 -14.373 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.072 -4.635 -14.354 1.00 25.00 C ATOM 0 H LEU A 47 9.845 -6.581 -17.860 1.00 25.00 H new ATOM 0 HA LEU A 47 7.632 -8.081 -16.676 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.922 -6.327 -15.478 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.325 -5.143 -16.624 1.00 25.00 H new ATOM 0 HG LEU A 47 5.986 -5.674 -15.891 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.656 -6.878 -13.761 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.346 -7.936 -15.015 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.388 -7.287 -13.727 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.195 -4.471 -13.728 1.00 25.00 H new ATOM 0 HD22 LEU A 47 7.943 -4.806 -13.721 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.243 -3.757 -14.977 1.00 25.00 H new ATOM 743 N CYS A 48 5.928 -7.496 -18.481 1.00 25.00 N ATOM 744 CA CYS A 48 4.924 -7.143 -19.472 1.00 25.00 C ATOM 745 C CYS A 48 3.582 -7.021 -18.802 1.00 25.00 C ATOM 746 O CYS A 48 3.408 -7.511 -17.697 1.00 25.00 O ATOM 747 CB CYS A 48 4.868 -8.197 -20.572 1.00 25.00 C ATOM 748 SG CYS A 48 6.464 -8.433 -21.386 1.00 25.00 S ATOM 0 H CYS A 48 5.753 -8.376 -17.996 1.00 25.00 H new ATOM 0 HA CYS A 48 5.190 -6.188 -19.925 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.537 -9.144 -20.146 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.125 -7.904 -21.314 1.00 25.00 H new ATOM 0 HG CYS A 48 6.281 -8.586 -22.664 1.00 25.00 H new ATOM 754 N SER A 49 2.634 -6.382 -19.474 1.00 25.00 N ATOM 755 CA SER A 49 1.280 -6.178 -18.948 1.00 25.00 C ATOM 756 C SER A 49 0.220 -6.717 -19.895 1.00 25.00 C ATOM 757 O SER A 49 0.196 -6.351 -21.081 1.00 25.00 O ATOM 758 CB SER A 49 1.042 -4.687 -18.697 1.00 25.00 C ATOM 759 OG SER A 49 -0.239 -4.456 -18.139 1.00 25.00 O ATOM 0 H SER A 49 2.777 -5.987 -20.403 1.00 25.00 H new ATOM 0 HA SER A 49 1.199 -6.729 -18.011 1.00 25.00 H new ATOM 0 HB2 SER A 49 1.809 -4.303 -18.024 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.137 -4.139 -19.634 1.00 25.00 H new ATOM 0 HG SER A 49 -0.362 -3.495 -17.988 1.00 25.00 H new ATOM 765 N LEU A 50 -0.650 -7.584 -19.375 1.00 25.00 N ATOM 766 CA LEU A 50 -1.734 -8.205 -20.144 1.00 25.00 C ATOM 767 C LEU A 50 -2.755 -8.743 -19.126 1.00 25.00 C ATOM 768 O LEU A 50 -2.388 -9.039 -18.004 1.00 25.00 O ATOM 769 CB LEU A 50 -1.193 -9.372 -20.985 1.00 25.00 C ATOM 770 CG LEU A 50 -2.140 -9.885 -22.088 1.00 25.00 C ATOM 771 CD1 LEU A 50 -1.547 -9.604 -23.459 1.00 25.00 C ATOM 772 CD2 LEU A 50 -2.395 -11.375 -21.908 1.00 25.00 C ATOM 0 H LEU A 50 -0.623 -7.879 -18.399 1.00 25.00 H new ATOM 0 HA LEU A 50 -2.186 -7.479 -20.820 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.257 -9.060 -21.449 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.957 -10.201 -20.317 1.00 25.00 H new ATOM 0 HG LEU A 50 -3.092 -9.360 -22.010 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.224 -9.971 -24.230 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -1.405 -8.530 -23.581 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -0.586 -10.110 -23.550 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -3.065 -11.727 -22.692 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -1.450 -11.916 -21.968 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -2.852 -11.551 -20.934 1.00 25.00 H new ATOM 784 N HIS A 51 -4.023 -8.849 -19.508 1.00 25.00 N ATOM 785 CA HIS A 51 -5.070 -9.384 -18.611 1.00 25.00 C ATOM 786 C HIS A 51 -5.176 -8.540 -17.323 1.00 25.00 C ATOM 787 O HIS A 51 -5.391 -9.052 -16.231 1.00 25.00 O ATOM 788 CB HIS A 51 -4.792 -10.876 -18.299 1.00 25.00 C ATOM 789 CG HIS A 51 -5.982 -11.639 -17.791 1.00 25.00 C ATOM 790 ND1 HIS A 51 -6.434 -11.601 -16.501 1.00 25.00 N ATOM 791 CD2 HIS A 51 -6.814 -12.499 -18.433 1.00 25.00 C ATOM 792 CE1 HIS A 51 -7.481 -12.407 -16.400 1.00 25.00 C ATOM 793 NE2 HIS A 51 -7.771 -12.976 -17.555 1.00 25.00 N ATOM 0 H HIS A 51 -4.362 -8.575 -20.430 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.034 -9.320 -19.116 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.425 -11.361 -19.204 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -3.994 -10.937 -17.559 1.00 25.00 H new ATOM 0 HD1 HIS A 51 -6.033 -11.046 -15.745 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -6.740 -12.771 -19.476 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -8.029 -12.577 -15.485 1.00 25.00 H new ATOM 801 N GLY A 52 -4.994 -7.232 -17.450 1.00 25.00 N ATOM 802 CA GLY A 52 -5.113 -6.329 -16.308 1.00 25.00 C ATOM 803 C GLY A 52 -4.075 -6.516 -15.215 1.00 25.00 C ATOM 804 O GLY A 52 -4.239 -5.995 -14.116 1.00 25.00 O ATOM 0 H GLY A 52 -4.764 -6.771 -18.330 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -5.052 -5.303 -16.671 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.103 -6.454 -15.870 1.00 25.00 H new ATOM 808 N ARG A 53 -3.005 -7.245 -15.492 1.00 25.00 N ATOM 809 CA ARG A 53 -1.929 -7.438 -14.523 1.00 25.00 C ATOM 810 C ARG A 53 -0.607 -7.435 -15.244 1.00 25.00 C ATOM 811 O ARG A 53 -0.561 -7.619 -16.455 1.00 25.00 O ATOM 812 CB ARG A 53 -2.113 -8.749 -13.745 1.00 25.00 C ATOM 813 CG ARG A 53 -1.884 -10.034 -14.548 1.00 25.00 C ATOM 814 CD ARG A 53 -2.150 -11.259 -13.646 1.00 25.00 C ATOM 815 NE ARG A 53 -1.866 -12.558 -14.292 1.00 25.00 N ATOM 816 CZ ARG A 53 -0.727 -13.238 -14.201 1.00 25.00 C ATOM 817 NH1 ARG A 53 0.315 -12.809 -13.529 1.00 25.00 N ATOM 818 NH2 ARG A 53 -0.638 -14.400 -14.784 1.00 25.00 N ATOM 0 H ARG A 53 -2.855 -7.716 -16.384 1.00 25.00 H new ATOM 0 HA ARG A 53 -1.953 -6.621 -13.802 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -1.429 -8.746 -12.896 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -3.124 -8.771 -13.339 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -2.545 -10.057 -15.415 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -0.862 -10.062 -14.926 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -1.542 -11.173 -12.746 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -3.193 -11.243 -13.329 1.00 25.00 H new ATOM 0 HE ARG A 53 -2.609 -12.969 -14.857 1.00 25.00 H new ATOM 0 HH11 ARG A 53 0.275 -11.913 -13.044 1.00 25.00 H new ATOM 0 HH12 ARG A 53 1.165 -13.372 -13.492 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -1.434 -14.774 -15.300 1.00 25.00 H new ATOM 0 HH22 ARG A 53 0.228 -14.935 -14.725 1.00 25.00 H new ATOM 832 N GLN A 54 0.469 -7.269 -14.505 1.00 25.00 N ATOM 833 CA GLN A 54 1.789 -7.380 -15.084 1.00 25.00 C ATOM 834 C GLN A 54 2.463 -8.597 -14.474 1.00 25.00 C ATOM 835 O GLN A 54 2.092 -9.040 -13.393 1.00 25.00 O ATOM 836 CB GLN A 54 2.613 -6.104 -14.881 1.00 25.00 C ATOM 837 CG GLN A 54 2.486 -5.456 -13.508 1.00 25.00 C ATOM 838 CD GLN A 54 1.408 -4.402 -13.455 1.00 25.00 C ATOM 839 OE1 GLN A 54 0.276 -4.678 -13.109 1.00 25.00 O ATOM 840 NE2 GLN A 54 1.756 -3.191 -13.814 1.00 25.00 N ATOM 0 H GLN A 54 0.456 -7.058 -13.507 1.00 25.00 H new ATOM 0 HA GLN A 54 1.710 -7.505 -16.164 1.00 25.00 H new ATOM 0 HB2 GLN A 54 3.663 -6.338 -15.058 1.00 25.00 H new ATOM 0 HB3 GLN A 54 2.317 -5.376 -15.636 1.00 25.00 H new ATOM 0 HG2 GLN A 54 2.271 -6.226 -12.767 1.00 25.00 H new ATOM 0 HG3 GLN A 54 3.441 -5.007 -13.234 1.00 25.00 H new ATOM 0 HE21 GLN A 54 2.717 -3.000 -14.098 1.00 25.00 H new ATOM 0 HE22 GLN A 54 1.066 -2.440 -13.809 1.00 25.00 H new ATOM 849 N GLY A 55 3.408 -9.152 -15.213 1.00 25.00 N ATOM 850 CA GLY A 55 4.108 -10.351 -14.786 1.00 25.00 C ATOM 851 C GLY A 55 5.296 -10.553 -15.685 1.00 25.00 C ATOM 852 O GLY A 55 5.433 -9.845 -16.703 1.00 25.00 O ATOM 0 H GLY A 55 3.710 -8.789 -16.117 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.429 -10.253 -13.749 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.445 -11.215 -14.834 1.00 25.00 H new ATOM 856 N ILE A 56 6.177 -11.472 -15.326 1.00 25.00 N ATOM 857 CA ILE A 56 7.389 -11.720 -16.094 1.00 25.00 C ATOM 858 C ILE A 56 7.070 -12.529 -17.345 1.00 25.00 C ATOM 859 O ILE A 56 6.187 -13.397 -17.338 1.00 25.00 O ATOM 860 CB ILE A 56 8.508 -12.405 -15.231 1.00 25.00 C ATOM 861 CG1 ILE A 56 8.132 -13.864 -14.870 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.730 -11.584 -13.956 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.218 -14.617 -14.111 1.00 25.00 C ATOM 0 H ILE A 56 6.075 -12.063 -14.501 1.00 25.00 H new ATOM 0 HA ILE A 56 7.788 -10.754 -16.404 1.00 25.00 H new ATOM 0 HB ILE A 56 9.427 -12.439 -15.816 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.223 -13.855 -14.269 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.902 -14.406 -15.787 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.506 -12.054 -13.351 1.00 25.00 H new ATOM 0 HG22 ILE A 56 9.040 -10.574 -14.223 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.802 -11.540 -13.385 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.876 -15.630 -13.896 1.00 25.00 H new ATOM 0 HD12 ILE A 56 10.123 -14.660 -14.718 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.433 -14.101 -13.175 1.00 25.00 H new ATOM 875 N VAL A 57 7.769 -12.206 -18.426 1.00 25.00 N ATOM 876 CA VAL A 57 7.632 -12.884 -19.716 1.00 25.00 C ATOM 877 C VAL A 57 9.021 -13.048 -20.338 1.00 25.00 C ATOM 878 O VAL A 57 9.796 -12.080 -20.407 1.00 25.00 O ATOM 879 CB VAL A 57 6.752 -12.044 -20.701 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.700 -12.684 -22.098 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.330 -11.901 -20.157 1.00 25.00 C ATOM 0 H VAL A 57 8.459 -11.454 -18.435 1.00 25.00 H new ATOM 0 HA VAL A 57 7.157 -13.851 -19.549 1.00 25.00 H new ATOM 0 HB VAL A 57 7.212 -11.060 -20.788 1.00 25.00 H new ATOM 0 HG11 VAL A 57 6.080 -12.074 -22.755 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.708 -12.748 -22.507 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.274 -13.685 -22.024 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.731 -11.314 -20.854 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.885 -12.889 -20.038 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.359 -11.398 -19.191 1.00 25.00 H new ATOM 891 N PRO A 58 9.365 -14.265 -20.818 1.00 25.00 N ATOM 892 CA PRO A 58 10.683 -14.336 -21.461 1.00 25.00 C ATOM 893 C PRO A 58 10.689 -13.576 -22.805 1.00 25.00 C ATOM 894 O PRO A 58 9.936 -13.892 -23.722 1.00 25.00 O ATOM 895 CB PRO A 58 10.889 -15.840 -21.656 1.00 25.00 C ATOM 896 CG PRO A 58 9.525 -16.382 -21.789 1.00 25.00 C ATOM 897 CD PRO A 58 8.674 -15.570 -20.851 1.00 25.00 C ATOM 0 HA PRO A 58 11.477 -13.873 -20.875 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.487 -16.047 -22.543 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.412 -16.283 -20.808 1.00 25.00 H new ATOM 0 HG2 PRO A 58 9.168 -16.297 -22.815 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.496 -17.440 -21.528 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.651 -15.475 -21.214 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.620 -16.023 -19.861 1.00 25.00 H new ATOM 905 N GLY A 59 11.535 -12.566 -22.903 1.00 25.00 N ATOM 906 CA GLY A 59 11.589 -11.703 -24.074 1.00 25.00 C ATOM 907 C GLY A 59 11.902 -12.412 -25.374 1.00 25.00 C ATOM 908 O GLY A 59 11.483 -11.973 -26.443 1.00 25.00 O ATOM 0 H GLY A 59 12.205 -12.319 -22.174 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.631 -11.194 -24.176 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.343 -10.934 -23.906 1.00 25.00 H new ATOM 912 N ASN A 60 12.586 -13.543 -25.284 1.00 25.00 N ATOM 913 CA ASN A 60 12.916 -14.334 -26.478 1.00 25.00 C ATOM 914 C ASN A 60 11.651 -14.864 -27.179 1.00 25.00 C ATOM 915 O ASN A 60 11.683 -15.216 -28.357 1.00 25.00 O ATOM 916 CB ASN A 60 13.796 -15.518 -26.089 1.00 25.00 C ATOM 917 CG ASN A 60 14.368 -16.230 -27.291 1.00 25.00 C ATOM 918 OD1 ASN A 60 14.895 -15.614 -28.197 1.00 25.00 O ATOM 919 ND2 ASN A 60 14.258 -17.537 -27.305 1.00 25.00 N ATOM 0 H ASN A 60 12.925 -13.938 -24.407 1.00 25.00 H new ATOM 0 HA ASN A 60 13.445 -13.677 -27.169 1.00 25.00 H new ATOM 0 HB2 ASN A 60 14.611 -15.168 -25.455 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.212 -16.222 -25.497 1.00 25.00 H new ATOM 0 HD21 ASN A 60 14.621 -18.071 -28.095 1.00 25.00 H new ATOM 0 HD22 ASN A 60 13.809 -18.019 -26.526 1.00 25.00 H new ATOM 926 N ARG A 61 10.538 -14.944 -26.457 1.00 25.00 N ATOM 927 CA ARG A 61 9.282 -15.401 -27.064 1.00 25.00 C ATOM 928 C ARG A 61 8.465 -14.248 -27.639 1.00 25.00 C ATOM 929 O ARG A 61 7.345 -14.452 -28.128 1.00 25.00 O ATOM 930 CB ARG A 61 8.425 -16.176 -26.047 1.00 25.00 C ATOM 931 CG ARG A 61 9.046 -17.496 -25.589 1.00 25.00 C ATOM 932 CD ARG A 61 7.995 -18.382 -24.911 1.00 25.00 C ATOM 933 NE ARG A 61 8.580 -19.555 -24.244 1.00 25.00 N ATOM 934 CZ ARG A 61 7.888 -20.506 -23.625 1.00 25.00 C ATOM 935 NH1 ARG A 61 6.582 -20.517 -23.590 1.00 25.00 N ATOM 936 NH2 ARG A 61 8.529 -21.466 -23.015 1.00 25.00 N ATOM 0 H ARG A 61 10.474 -14.704 -25.468 1.00 25.00 H new ATOM 0 HA ARG A 61 9.560 -16.063 -27.884 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.254 -15.545 -25.175 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.450 -16.379 -26.489 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.473 -18.019 -26.445 1.00 25.00 H new ATOM 0 HG3 ARG A 61 9.864 -17.298 -24.896 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.446 -17.790 -24.179 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.273 -18.716 -25.656 1.00 25.00 H new ATOM 0 HE ARG A 61 9.596 -19.646 -24.258 1.00 25.00 H new ATOM 0 HH11 ARG A 61 6.053 -19.776 -24.050 1.00 25.00 H new ATOM 0 HH12 ARG A 61 6.091 -21.267 -23.103 1.00 25.00 H new ATOM 0 HH21 ARG A 61 9.549 -21.480 -23.017 1.00 25.00 H new ATOM 0 HH22 ARG A 61 8.010 -22.202 -22.536 1.00 25.00 H new ATOM 950 N LEU A 62 9.016 -13.040 -27.582 1.00 25.00 N ATOM 951 CA LEU A 62 8.323 -11.841 -28.042 1.00 25.00 C ATOM 952 C LEU A 62 9.048 -11.172 -29.207 1.00 25.00 C ATOM 953 O LEU A 62 10.257 -11.263 -29.329 1.00 25.00 O ATOM 954 CB LEU A 62 8.233 -10.823 -26.889 1.00 25.00 C ATOM 955 CG LEU A 62 7.528 -11.218 -25.589 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.621 -10.063 -24.584 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.064 -11.565 -25.871 1.00 25.00 C ATOM 0 H LEU A 62 9.952 -12.864 -27.217 1.00 25.00 H new ATOM 0 HA LEU A 62 7.332 -12.149 -28.376 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.251 -10.529 -26.632 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.733 -9.935 -27.275 1.00 25.00 H new ATOM 0 HG LEU A 62 8.015 -12.096 -25.165 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.119 -10.345 -23.658 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.669 -9.845 -24.377 1.00 25.00 H new ATOM 0 HD13 LEU A 62 7.142 -9.178 -25.002 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.571 -11.845 -24.940 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.561 -10.699 -26.302 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.016 -12.398 -26.572 1.00 25.00 H new ATOM 969 N LYS A 63 8.306 -10.426 -30.018 1.00 25.00 N ATOM 970 CA LYS A 63 8.892 -9.583 -31.061 1.00 25.00 C ATOM 971 C LYS A 63 8.462 -8.146 -30.879 1.00 25.00 C ATOM 972 O LYS A 63 7.275 -7.844 -30.931 1.00 25.00 O ATOM 973 CB LYS A 63 8.485 -10.083 -32.451 1.00 25.00 C ATOM 974 CG LYS A 63 9.168 -9.311 -33.566 1.00 25.00 C ATOM 975 CD LYS A 63 8.963 -9.971 -34.931 1.00 25.00 C ATOM 976 CE LYS A 63 9.753 -9.221 -36.014 1.00 25.00 C ATOM 977 NZ LYS A 63 9.663 -9.897 -37.353 1.00 25.00 N ATOM 0 H LYS A 63 7.288 -10.386 -29.974 1.00 25.00 H new ATOM 0 HA LYS A 63 9.977 -9.639 -30.976 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.732 -11.141 -32.541 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.404 -9.998 -32.563 1.00 25.00 H new ATOM 0 HG2 LYS A 63 8.778 -8.293 -33.593 1.00 25.00 H new ATOM 0 HG3 LYS A 63 10.235 -9.238 -33.355 1.00 25.00 H new ATOM 0 HD2 LYS A 63 9.286 -11.011 -34.891 1.00 25.00 H new ATOM 0 HD3 LYS A 63 7.903 -9.976 -35.184 1.00 25.00 H new ATOM 0 HE2 LYS A 63 9.375 -8.202 -36.097 1.00 25.00 H new ATOM 0 HE3 LYS A 63 10.799 -9.149 -35.715 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 10.211 -9.356 -38.052 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 10.048 -10.861 -37.282 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 8.668 -9.943 -37.653 1.00 25.00 H new ATOM 991 N ILE A 64 9.433 -7.280 -30.648 1.00 25.00 N ATOM 992 CA ILE A 64 9.203 -5.844 -30.458 1.00 25.00 C ATOM 993 C ILE A 64 8.550 -5.255 -31.713 1.00 25.00 C ATOM 994 O ILE A 64 8.914 -5.603 -32.847 1.00 25.00 O ATOM 995 CB ILE A 64 10.567 -5.122 -30.163 1.00 25.00 C ATOM 996 CG1 ILE A 64 11.144 -5.590 -28.809 1.00 25.00 C ATOM 997 CG2 ILE A 64 10.436 -3.572 -30.199 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.352 -5.144 -27.546 1.00 25.00 C ATOM 0 H ILE A 64 10.415 -7.548 -30.585 1.00 25.00 H new ATOM 0 HA ILE A 64 8.535 -5.693 -29.610 1.00 25.00 H new ATOM 0 HB ILE A 64 11.258 -5.401 -30.958 1.00 25.00 H new ATOM 0 HG12 ILE A 64 11.198 -6.679 -28.815 1.00 25.00 H new ATOM 0 HG13 ILE A 64 12.166 -5.220 -28.723 1.00 25.00 H new ATOM 0 HG21 ILE A 64 11.405 -3.120 -29.989 1.00 25.00 H new ATOM 0 HG22 ILE A 64 10.095 -3.258 -31.186 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.715 -3.250 -29.447 1.00 25.00 H new ATOM 0 HD11 ILE A 64 10.845 -5.528 -26.653 1.00 25.00 H new ATOM 0 HD12 ILE A 64 10.319 -4.055 -27.503 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.336 -5.536 -27.596 1.00 25.00 H new ATOM 1010 N LEU A 65 7.600 -4.358 -31.491 1.00 25.00 N ATOM 1011 CA LEU A 65 6.916 -3.640 -32.564 1.00 25.00 C ATOM 1012 C LEU A 65 7.234 -2.153 -32.363 1.00 25.00 C ATOM 1013 O LEU A 65 7.950 -1.828 -31.429 1.00 25.00 O ATOM 1014 CB LEU A 65 5.392 -3.893 -32.485 1.00 25.00 C ATOM 1015 CG LEU A 65 4.771 -4.947 -33.420 1.00 25.00 C ATOM 1016 CD1 LEU A 65 4.959 -4.551 -34.882 1.00 25.00 C ATOM 1017 CD2 LEU A 65 5.345 -6.351 -33.187 1.00 25.00 C ATOM 0 H LEU A 65 7.278 -4.104 -30.557 1.00 25.00 H new ATOM 0 HA LEU A 65 7.248 -3.977 -33.546 1.00 25.00 H new ATOM 0 HB2 LEU A 65 5.157 -4.180 -31.460 1.00 25.00 H new ATOM 0 HB3 LEU A 65 4.889 -2.945 -32.674 1.00 25.00 H new ATOM 0 HG LEU A 65 3.707 -4.981 -33.185 1.00 25.00 H new ATOM 0 HD11 LEU A 65 4.513 -5.310 -35.525 1.00 25.00 H new ATOM 0 HD12 LEU A 65 4.476 -3.591 -35.064 1.00 25.00 H new ATOM 0 HD13 LEU A 65 6.023 -4.469 -35.103 1.00 25.00 H new ATOM 0 HD21 LEU A 65 4.873 -7.055 -33.872 1.00 25.00 H new ATOM 0 HD22 LEU A 65 6.421 -6.338 -33.364 1.00 25.00 H new ATOM 0 HD23 LEU A 65 5.150 -6.658 -32.159 1.00 25.00 H new ATOM 1029 N VAL A 66 6.684 -1.289 -33.216 1.00 25.00 N ATOM 1030 CA VAL A 66 6.874 0.175 -33.159 1.00 25.00 C ATOM 1031 C VAL A 66 8.310 0.580 -33.490 1.00 25.00 C ATOM 1032 O VAL A 66 9.194 0.588 -32.651 1.00 25.00 O ATOM 1033 CB VAL A 66 6.410 0.796 -31.796 1.00 25.00 C ATOM 1034 CG1 VAL A 66 6.395 2.339 -31.879 1.00 25.00 C ATOM 1035 CG2 VAL A 66 4.984 0.294 -31.444 1.00 25.00 C ATOM 0 H VAL A 66 6.081 -1.585 -33.984 1.00 25.00 H new ATOM 0 HA VAL A 66 6.226 0.590 -33.931 1.00 25.00 H new ATOM 0 HB VAL A 66 7.113 0.486 -31.023 1.00 25.00 H new ATOM 0 HG11 VAL A 66 6.070 2.752 -30.924 1.00 25.00 H new ATOM 0 HG12 VAL A 66 7.397 2.701 -32.109 1.00 25.00 H new ATOM 0 HG13 VAL A 66 5.707 2.655 -32.663 1.00 25.00 H new ATOM 0 HG21 VAL A 66 4.669 0.730 -30.496 1.00 25.00 H new ATOM 0 HG22 VAL A 66 4.289 0.592 -32.229 1.00 25.00 H new ATOM 0 HG23 VAL A 66 4.991 -0.793 -31.359 1.00 25.00 H new ATOM 1045 N GLY A 67 8.516 0.906 -34.757 1.00 25.00 N ATOM 1046 CA GLY A 67 9.829 1.291 -35.255 1.00 25.00 C ATOM 1047 C GLY A 67 9.932 0.953 -36.731 1.00 25.00 C ATOM 1048 O GLY A 67 10.320 1.787 -37.529 1.00 25.00 O ATOM 0 H GLY A 67 7.783 0.911 -35.466 1.00 25.00 H new ATOM 0 HA2 GLY A 67 9.988 2.359 -35.104 1.00 25.00 H new ATOM 0 HA3 GLY A 67 10.608 0.771 -34.697 1.00 25.00 H new ATOM 1052 N MET A 68 9.490 -0.234 -37.111 1.00 25.00 N ATOM 1053 CA MET A 68 9.433 -0.614 -38.527 1.00 25.00 C ATOM 1054 C MET A 68 8.247 -1.541 -38.711 1.00 25.00 C ATOM 1055 O MET A 68 8.176 -2.591 -38.069 1.00 25.00 O ATOM 1056 CB MET A 68 10.751 -1.307 -38.946 1.00 25.00 C ATOM 1057 CG MET A 68 10.916 -1.495 -40.464 1.00 25.00 C ATOM 1058 SD MET A 68 9.883 -2.819 -41.166 1.00 25.00 S ATOM 1059 CE MET A 68 10.178 -2.605 -42.933 1.00 25.00 C ATOM 0 H MET A 68 9.165 -0.955 -36.467 1.00 25.00 H new ATOM 0 HA MET A 68 9.313 0.267 -39.158 1.00 25.00 H new ATOM 0 HB2 MET A 68 11.590 -0.721 -38.572 1.00 25.00 H new ATOM 0 HB3 MET A 68 10.803 -2.283 -38.464 1.00 25.00 H new ATOM 0 HG2 MET A 68 10.674 -0.557 -40.964 1.00 25.00 H new ATOM 0 HG3 MET A 68 11.962 -1.712 -40.681 1.00 25.00 H new ATOM 0 HE1 MET A 68 9.608 -3.349 -43.490 1.00 25.00 H new ATOM 0 HE2 MET A 68 9.864 -1.606 -43.236 1.00 25.00 H new ATOM 0 HE3 MET A 68 11.240 -2.730 -43.142 1.00 25.00 H new ATOM 1069 N TYR A 69 7.300 -1.140 -39.559 1.00 25.00 N ATOM 1070 CA TYR A 69 6.128 -1.962 -39.868 1.00 25.00 C ATOM 1071 C TYR A 69 5.444 -1.440 -41.141 1.00 25.00 C ATOM 1072 O TYR A 69 5.486 -0.253 -41.427 1.00 25.00 O ATOM 1073 CB TYR A 69 5.115 -1.946 -38.707 1.00 25.00 C ATOM 1074 CG TYR A 69 4.819 -0.559 -38.144 1.00 25.00 C ATOM 1075 CD1 TYR A 69 3.858 0.283 -38.749 1.00 25.00 C ATOM 1076 CD2 TYR A 69 5.490 -0.079 -37.001 1.00 25.00 C ATOM 1077 CE1 TYR A 69 3.577 1.571 -38.225 1.00 25.00 C ATOM 1078 CE2 TYR A 69 5.218 1.215 -36.485 1.00 25.00 C ATOM 1079 CZ TYR A 69 4.265 2.023 -37.094 1.00 25.00 C ATOM 1080 OH TYR A 69 4.019 3.267 -36.568 1.00 25.00 O ATOM 0 H TYR A 69 7.322 -0.245 -40.048 1.00 25.00 H new ATOM 0 HA TYR A 69 6.468 -2.986 -40.021 1.00 25.00 H new ATOM 0 HB2 TYR A 69 4.181 -2.392 -39.050 1.00 25.00 H new ATOM 0 HB3 TYR A 69 5.493 -2.577 -37.903 1.00 25.00 H new ATOM 0 HD1 TYR A 69 3.328 -0.060 -39.625 1.00 25.00 H new ATOM 0 HD2 TYR A 69 6.221 -0.705 -36.511 1.00 25.00 H new ATOM 0 HE1 TYR A 69 2.836 2.199 -38.697 1.00 25.00 H new ATOM 0 HE2 TYR A 69 5.753 1.573 -35.617 1.00 25.00 H new ATOM 0 HH TYR A 69 4.589 3.409 -35.783 1.00 25.00 H new ATOM 1090 N ASP A 70 4.774 -2.332 -41.852 1.00 25.00 N ATOM 1091 CA ASP A 70 3.956 -1.955 -43.010 1.00 25.00 C ATOM 1092 C ASP A 70 2.730 -1.175 -42.532 1.00 25.00 C ATOM 1093 O ASP A 70 2.367 -1.253 -41.355 1.00 25.00 O ATOM 1094 CB ASP A 70 3.457 -3.204 -43.729 1.00 25.00 C ATOM 1095 CG ASP A 70 4.583 -4.047 -44.261 1.00 25.00 C ATOM 1096 OD1 ASP A 70 5.179 -3.674 -45.289 1.00 25.00 O ATOM 1097 OD2 ASP A 70 4.855 -5.096 -43.642 1.00 25.00 O ATOM 0 H ASP A 70 4.776 -3.332 -41.651 1.00 25.00 H new ATOM 0 HA ASP A 70 4.565 -1.351 -43.683 1.00 25.00 H new ATOM 0 HB2 ASP A 70 2.854 -3.799 -43.043 1.00 25.00 H new ATOM 0 HB3 ASP A 70 2.806 -2.910 -44.552 1.00 25.00 H new ATOM 1102 N LYS A 71 2.034 -0.522 -43.453 1.00 25.00 N ATOM 1103 CA LYS A 71 0.783 0.179 -43.128 1.00 25.00 C ATOM 1104 C LYS A 71 -0.245 -0.752 -42.454 1.00 25.00 C ATOM 1105 O LYS A 71 -0.317 -1.951 -42.762 1.00 25.00 O ATOM 1106 CB LYS A 71 0.179 0.792 -44.403 1.00 25.00 C ATOM 1107 CG LYS A 71 -0.173 -0.222 -45.508 1.00 25.00 C ATOM 1108 CD LYS A 71 -0.681 0.500 -46.767 1.00 25.00 C ATOM 1109 CE LYS A 71 -0.965 -0.471 -47.901 1.00 25.00 C ATOM 1110 NZ LYS A 71 -2.075 -1.422 -47.584 1.00 25.00 N ATOM 0 H LYS A 71 2.308 -0.459 -44.433 1.00 25.00 H new ATOM 0 HA LYS A 71 1.025 0.970 -42.418 1.00 25.00 H new ATOM 0 HB2 LYS A 71 -0.724 1.340 -44.132 1.00 25.00 H new ATOM 0 HB3 LYS A 71 0.884 1.518 -44.808 1.00 25.00 H new ATOM 0 HG2 LYS A 71 0.705 -0.818 -45.754 1.00 25.00 H new ATOM 0 HG3 LYS A 71 -0.935 -0.912 -45.146 1.00 25.00 H new ATOM 0 HD2 LYS A 71 -1.589 1.053 -46.527 1.00 25.00 H new ATOM 0 HD3 LYS A 71 0.061 1.230 -47.091 1.00 25.00 H new ATOM 0 HE2 LYS A 71 -1.219 0.091 -48.800 1.00 25.00 H new ATOM 0 HE3 LYS A 71 -0.060 -1.037 -48.124 1.00 25.00 H new ATOM 0 HZ1 LYS A 71 -2.272 -2.016 -48.415 1.00 25.00 H new ATOM 0 HZ2 LYS A 71 -1.797 -2.027 -46.785 1.00 25.00 H new ATOM 0 HZ3 LYS A 71 -2.930 -0.886 -47.331 1.00 25.00 H new ATOM 1124 N LYS A 72 -1.012 -0.200 -41.525 1.00 25.00 N ATOM 1125 CA LYS A 72 -2.038 -0.937 -40.772 1.00 25.00 C ATOM 1126 C LYS A 72 -3.410 -0.329 -41.074 1.00 25.00 C ATOM 1127 O LYS A 72 -3.467 0.808 -41.551 1.00 25.00 O ATOM 1128 CB LYS A 72 -1.755 -0.828 -39.258 1.00 25.00 C ATOM 1129 CG LYS A 72 -1.224 -2.117 -38.608 1.00 25.00 C ATOM 1130 CD LYS A 72 0.221 -2.420 -39.008 1.00 25.00 C ATOM 1131 CE LYS A 72 0.306 -3.617 -39.947 1.00 25.00 C ATOM 1132 NZ LYS A 72 1.705 -3.845 -40.405 1.00 25.00 N ATOM 0 H LYS A 72 -0.945 0.784 -41.264 1.00 25.00 H new ATOM 0 HA LYS A 72 -2.021 -1.987 -41.066 1.00 25.00 H new ATOM 0 HB2 LYS A 72 -1.031 -0.030 -39.094 1.00 25.00 H new ATOM 0 HB3 LYS A 72 -2.674 -0.534 -38.751 1.00 25.00 H new ATOM 0 HG2 LYS A 72 -1.286 -2.026 -37.524 1.00 25.00 H new ATOM 0 HG3 LYS A 72 -1.861 -2.954 -38.895 1.00 25.00 H new ATOM 0 HD2 LYS A 72 0.656 -1.546 -39.493 1.00 25.00 H new ATOM 0 HD3 LYS A 72 0.813 -2.616 -38.114 1.00 25.00 H new ATOM 0 HE2 LYS A 72 -0.063 -4.508 -39.439 1.00 25.00 H new ATOM 0 HE3 LYS A 72 -0.339 -3.452 -40.810 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 1.711 -4.564 -41.156 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 2.099 -2.956 -40.773 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 2.283 -4.174 -39.605 1.00 25.00 H new ATOM 1146 N PRO A 73 -4.512 -1.053 -40.791 1.00 25.00 N ATOM 1147 CA PRO A 73 -5.815 -0.395 -40.951 1.00 25.00 C ATOM 1148 C PRO A 73 -6.046 0.618 -39.836 1.00 25.00 C ATOM 1149 O PRO A 73 -5.301 0.642 -38.854 1.00 25.00 O ATOM 1150 CB PRO A 73 -6.801 -1.562 -40.855 1.00 25.00 C ATOM 1151 CG PRO A 73 -6.146 -2.490 -39.926 1.00 25.00 C ATOM 1152 CD PRO A 73 -4.673 -2.427 -40.267 1.00 25.00 C ATOM 0 HA PRO A 73 -5.909 0.167 -41.880 1.00 25.00 H new ATOM 0 HB2 PRO A 73 -7.772 -1.237 -40.480 1.00 25.00 H new ATOM 0 HB3 PRO A 73 -6.973 -2.023 -41.828 1.00 25.00 H new ATOM 0 HG2 PRO A 73 -6.322 -2.199 -38.890 1.00 25.00 H new ATOM 0 HG3 PRO A 73 -6.533 -3.502 -40.043 1.00 25.00 H new ATOM 0 HD2 PRO A 73 -4.048 -2.601 -39.391 1.00 25.00 H new ATOM 0 HD3 PRO A 73 -4.398 -3.177 -41.009 1.00 25.00 H new ATOM 1160 N ALA A 74 -7.086 1.431 -39.969 1.00 25.00 N ATOM 1161 CA ALA A 74 -7.441 2.412 -38.945 1.00 25.00 C ATOM 1162 C ALA A 74 -7.876 1.695 -37.666 1.00 25.00 C ATOM 1163 O ALA A 74 -8.277 0.530 -37.707 1.00 25.00 O ATOM 1164 CB ALA A 74 -8.568 3.315 -39.461 1.00 25.00 C ATOM 0 H ALA A 74 -7.704 1.432 -40.781 1.00 25.00 H new ATOM 0 HA ALA A 74 -6.571 3.029 -38.720 1.00 25.00 H new ATOM 0 HB1 ALA A 74 -8.829 4.045 -38.695 1.00 25.00 H new ATOM 0 HB2 ALA A 74 -8.235 3.835 -40.359 1.00 25.00 H new ATOM 0 HB3 ALA A 74 -9.442 2.708 -39.697 1.00 25.00 H new ATOM 1170 N GLY A 75 -7.831 2.412 -36.551 1.00 25.00 N ATOM 1171 CA GLY A 75 -8.262 1.834 -35.288 1.00 25.00 C ATOM 1172 C GLY A 75 -8.332 2.858 -34.162 1.00 25.00 C ATOM 1173 O GLY A 75 -9.403 3.115 -33.648 1.00 25.00 O ATOM 0 H GLY A 75 -7.506 3.377 -36.495 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -9.243 1.377 -35.419 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -7.575 1.037 -35.005 1.00 25.00 H new ATOM 1177 N GLU A 76 -7.189 3.466 -33.838 1.00 25.00 N ATOM 1178 CA GLU A 76 -7.084 4.514 -32.794 1.00 25.00 C ATOM 1179 C GLU A 76 -7.655 4.063 -31.440 1.00 25.00 C ATOM 1180 O GLU A 76 -8.197 4.841 -30.658 1.00 25.00 O ATOM 1181 CB GLU A 76 -7.738 5.823 -33.292 1.00 25.00 C ATOM 1182 CG GLU A 76 -6.731 6.894 -33.707 1.00 25.00 C ATOM 1183 CD GLU A 76 -5.982 7.494 -32.512 1.00 25.00 C ATOM 1184 OE1 GLU A 76 -6.377 8.578 -32.035 1.00 25.00 O ATOM 1185 OE2 GLU A 76 -5.000 6.875 -32.064 1.00 25.00 O ATOM 0 H GLU A 76 -6.300 3.251 -34.289 1.00 25.00 H new ATOM 0 HA GLU A 76 -6.025 4.701 -32.616 1.00 25.00 H new ATOM 0 HB2 GLU A 76 -8.384 5.596 -34.140 1.00 25.00 H new ATOM 0 HB3 GLU A 76 -8.376 6.223 -32.504 1.00 25.00 H new ATOM 0 HG2 GLU A 76 -6.011 6.461 -34.402 1.00 25.00 H new ATOM 0 HG3 GLU A 76 -7.251 7.689 -34.241 1.00 25.00 H new ATOM 1192 N PHE A 77 -7.525 2.782 -31.163 1.00 25.00 N ATOM 1193 CA PHE A 77 -8.057 2.221 -29.933 1.00 25.00 C ATOM 1194 C PHE A 77 -7.161 2.515 -28.737 1.00 25.00 C ATOM 1195 O PHE A 77 -5.940 2.347 -28.805 1.00 25.00 O ATOM 1196 CB PHE A 77 -8.231 0.710 -30.084 1.00 25.00 C ATOM 1197 CG PHE A 77 -9.066 0.306 -31.270 1.00 25.00 C ATOM 1198 CD1 PHE A 77 -8.570 -0.619 -32.217 1.00 25.00 C ATOM 1199 CD2 PHE A 77 -10.364 0.834 -31.455 1.00 25.00 C ATOM 1200 CE1 PHE A 77 -9.347 -1.007 -33.330 1.00 25.00 C ATOM 1201 CE2 PHE A 77 -11.143 0.443 -32.572 1.00 25.00 C ATOM 1202 CZ PHE A 77 -10.637 -0.475 -33.513 1.00 25.00 C ATOM 0 H PHE A 77 -7.057 2.109 -31.770 1.00 25.00 H new ATOM 0 HA PHE A 77 -9.023 2.691 -29.749 1.00 25.00 H new ATOM 0 HB2 PHE A 77 -7.248 0.248 -30.171 1.00 25.00 H new ATOM 0 HB3 PHE A 77 -8.690 0.315 -29.178 1.00 25.00 H new ATOM 0 HD1 PHE A 77 -7.582 -1.035 -32.087 1.00 25.00 H new ATOM 0 HD2 PHE A 77 -10.764 1.539 -30.741 1.00 25.00 H new ATOM 0 HE1 PHE A 77 -8.950 -1.714 -34.043 1.00 25.00 H new ATOM 0 HE2 PHE A 77 -12.134 0.852 -32.703 1.00 25.00 H new ATOM 0 HZ PHE A 77 -11.232 -0.767 -34.365 1.00 25.00 H new ATOM 1212 N ILE A 78 -7.797 2.873 -27.625 1.00 25.00 N ATOM 1213 CA ILE A 78 -7.112 3.091 -26.351 1.00 25.00 C ATOM 1214 C ILE A 78 -7.726 2.086 -25.372 1.00 25.00 C ATOM 1215 O ILE A 78 -8.836 1.607 -25.601 1.00 25.00 O ATOM 1216 CB ILE A 78 -7.257 4.574 -25.871 1.00 25.00 C ATOM 1217 CG1 ILE A 78 -6.300 4.885 -24.696 1.00 25.00 C ATOM 1218 CG2 ILE A 78 -8.726 4.896 -25.480 1.00 25.00 C ATOM 1219 CD1 ILE A 78 -6.122 6.383 -24.376 1.00 25.00 C ATOM 0 H ILE A 78 -8.805 3.021 -27.580 1.00 25.00 H new ATOM 0 HA ILE A 78 -6.037 2.932 -26.435 1.00 25.00 H new ATOM 0 HB ILE A 78 -6.979 5.214 -26.708 1.00 25.00 H new ATOM 0 HG12 ILE A 78 -6.670 4.380 -23.803 1.00 25.00 H new ATOM 0 HG13 ILE A 78 -5.322 4.459 -24.921 1.00 25.00 H new ATOM 0 HG21 ILE A 78 -8.796 5.933 -25.151 1.00 25.00 H new ATOM 0 HG22 ILE A 78 -9.374 4.745 -26.344 1.00 25.00 H new ATOM 0 HG23 ILE A 78 -9.040 4.236 -24.671 1.00 25.00 H new ATOM 0 HD11 ILE A 78 -5.434 6.497 -23.539 1.00 25.00 H new ATOM 0 HD12 ILE A 78 -5.719 6.896 -25.249 1.00 25.00 H new ATOM 0 HD13 ILE A 78 -7.087 6.816 -24.114 1.00 25.00 H new ATOM 1231 N VAL A 79 -6.957 1.693 -24.357 1.00 25.00 N ATOM 1232 CA VAL A 79 -7.372 0.642 -23.418 1.00 25.00 C ATOM 1233 C VAL A 79 -7.763 1.220 -22.051 1.00 25.00 C ATOM 1234 O VAL A 79 -8.648 0.712 -21.373 1.00 25.00 O ATOM 1235 CB VAL A 79 -6.209 -0.392 -23.233 1.00 25.00 C ATOM 1236 CG1 VAL A 79 -6.621 -1.546 -22.318 1.00 25.00 C ATOM 1237 CG2 VAL A 79 -5.765 -0.958 -24.614 1.00 25.00 C ATOM 0 H VAL A 79 -6.037 2.087 -24.160 1.00 25.00 H new ATOM 0 HA VAL A 79 -8.249 0.150 -23.839 1.00 25.00 H new ATOM 0 HB VAL A 79 -5.376 0.134 -22.767 1.00 25.00 H new ATOM 0 HG11 VAL A 79 -5.789 -2.242 -22.214 1.00 25.00 H new ATOM 0 HG12 VAL A 79 -6.891 -1.154 -21.337 1.00 25.00 H new ATOM 0 HG13 VAL A 79 -7.477 -2.065 -22.750 1.00 25.00 H new ATOM 0 HG21 VAL A 79 -4.957 -1.675 -24.471 1.00 25.00 H new ATOM 0 HG22 VAL A 79 -6.609 -1.454 -25.092 1.00 25.00 H new ATOM 0 HG23 VAL A 79 -5.418 -0.142 -25.247 1.00 25.00 H new ATOM 1247 N THR A 80 -7.087 2.279 -21.642 1.00 25.00 N ATOM 1248 CA THR A 80 -7.366 2.924 -20.365 1.00 25.00 C ATOM 1249 C THR A 80 -8.644 3.758 -20.437 1.00 25.00 C ATOM 1250 O THR A 80 -9.025 4.250 -21.495 1.00 25.00 O ATOM 1251 CB THR A 80 -6.232 3.858 -20.005 1.00 25.00 C ATOM 1252 OG1 THR A 80 -5.940 4.690 -21.127 1.00 25.00 O ATOM 1253 CG2 THR A 80 -4.963 3.092 -19.660 1.00 25.00 C ATOM 0 H THR A 80 -6.336 2.715 -22.177 1.00 25.00 H new ATOM 0 HA THR A 80 -7.480 2.138 -19.618 1.00 25.00 H new ATOM 0 HB THR A 80 -6.545 4.442 -19.139 1.00 25.00 H new ATOM 0 HG1 THR A 80 -5.207 5.299 -20.900 1.00 25.00 H new ATOM 0 HG21 THR A 80 -4.170 3.796 -19.407 1.00 25.00 H new ATOM 0 HG22 THR A 80 -5.153 2.438 -18.809 1.00 25.00 H new ATOM 0 HG23 THR A 80 -4.656 2.493 -20.517 1.00 25.00 H new ATOM 1261 N ASP A 81 -9.275 3.963 -19.267 1.00 25.00 N ATOM 1262 CA ASP A 81 -10.502 4.776 -19.100 1.00 25.00 C ATOM 1263 C ASP A 81 -10.347 6.235 -19.598 1.00 25.00 C ATOM 1264 O ASP A 81 -10.039 7.189 -18.903 1.00 25.00 O ATOM 1265 CB ASP A 81 -10.957 4.744 -17.622 1.00 25.00 C ATOM 1266 CG ASP A 81 -11.190 3.334 -17.170 1.00 25.00 C ATOM 1267 OD1 ASP A 81 -10.320 2.811 -16.500 1.00 25.00 O ATOM 1268 OD2 ASP A 81 -12.211 2.765 -17.494 1.00 25.00 O ATOM 1269 OXT ASP A 81 -10.596 6.357 -20.869 1.00 25.00 O ATOM 0 H ASP A 81 -8.942 3.561 -18.390 1.00 25.00 H new ATOM 0 HA ASP A 81 -11.269 4.326 -19.730 1.00 25.00 H new ATOM 0 HB2 ASP A 81 -10.200 5.212 -16.993 1.00 25.00 H new ATOM 0 HB3 ASP A 81 -11.872 5.325 -17.505 1.00 25.00 H new TER 1275 ASP A 81