USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 899 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 86 MET CE :methyl -175:sc= -0.483 (180deg=-0.6) USER MOD Set 1.2: A 91 MET CE :methyl -171:sc= 0 (180deg=-0.0401) USER MOD Set 2.1: A 63 GLN : amide:sc= -1.2 K(o=-3.3,f=-4.5) USER MOD Set 2.2: A 64 ASN : amide:sc= -2.06 K(o=-3.3,f=-5.5!) USER MOD Set 3.1: A 25 TYR OH : rot -132:sc= 0.394 USER MOD Set 3.2: A 48 HIS : no HD1:sc= -3.55! C(o=-3.2!,f=-7.3!) USER MOD Set 4.1: A 44 CYS SG : rot 67:sc= -0.818 USER MOD Set 4.2: A 68 ASN : amide:sc= -1.54! C(o=-2.4!,f=-6.2!) 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 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 144:sc= -0.311 (180deg=-1.84!) USER MOD Single : A 18 CYS SG : rot -155:sc= 0.536 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.331 F(o=-1,f=-0.33) USER MOD Single : A 21 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.53) USER MOD Single : A 22 THR OG1 : rot -66:sc= 1.09 USER MOD Single : A 29 ASN : amide:sc= -0.858 X(o=-0.86,f=-0.92) USER MOD Single : A 31 THR OG1 : rot -27:sc= 0.679 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0341 USER MOD Single : A 35 MET CE :methyl -126:sc= -0.499 (180deg=-1.95) USER MOD Single : A 36 SER OG : rot -90:sc= -1.36 USER MOD Single : A 38 LYS NZ :NH3+ -127:sc= -0.381 (180deg=-2.16!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 124:sc= 0.0978 USER MOD Single : A 59 SER OG : rot 93:sc= 0.234 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.609 K(o=0.61,f=-0.074) USER MOD Single : A 70 GLN : amide:sc= -0.349 K(o=-0.35,f=-2.8!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.00177 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= -0.532 USER MOD Single : A 102 MET CE :methyl 177:sc= -2.8! (180deg=-3.06!) USER MOD Single : A 104 MET CE :methyl -157:sc= 0 (180deg=-0.456) USER MOD Single : A 105 TYR OH : rot 109:sc= 0.722 USER MOD Single : A 107 THR OG1 : rot 65:sc= 1.12 USER MOD Single : A 108 GLN :FLIP amide:sc= -4.23! C(o=-4.7!,f=-4.2!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -176:sc= 1.24 (180deg=1.21) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.272 -10.319 -18.283 1.00 0.00 N ATOM 2 CA GLY A 1 8.515 -11.409 -18.871 1.00 0.00 C ATOM 3 C GLY A 1 7.025 -11.276 -18.630 1.00 0.00 C ATOM 4 O GLY A 1 6.592 -11.003 -17.510 1.00 0.00 O ATOM 0 H1 GLY A 1 10.285 -10.456 -18.476 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.960 -9.417 -18.696 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.114 -10.302 -17.255 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.705 -11.442 -19.944 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.864 -12.355 -18.456 1.00 0.00 H new ATOM 8 N SER A 2 6.237 -11.467 -19.684 1.00 0.00 N ATOM 9 CA SER A 2 4.786 -11.362 -19.583 1.00 0.00 C ATOM 10 C SER A 2 4.213 -12.518 -18.769 1.00 0.00 C ATOM 11 O SER A 2 4.459 -13.686 -19.071 1.00 0.00 O ATOM 12 CB SER A 2 4.157 -11.342 -20.977 1.00 0.00 C ATOM 13 OG SER A 2 2.802 -10.933 -20.919 1.00 0.00 O ATOM 0 H SER A 2 6.579 -11.695 -20.617 1.00 0.00 H new ATOM 0 HA SER A 2 4.548 -10.429 -19.072 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.717 -10.665 -21.622 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.222 -12.334 -21.423 1.00 0.00 H new ATOM 0 HG SER A 2 2.423 -10.927 -21.823 1.00 0.00 H new ATOM 19 N SER A 3 3.446 -12.184 -17.737 1.00 0.00 N ATOM 20 CA SER A 3 2.839 -13.193 -16.876 1.00 0.00 C ATOM 21 C SER A 3 1.551 -13.729 -17.492 1.00 0.00 C ATOM 22 O SER A 3 1.435 -14.919 -17.780 1.00 0.00 O ATOM 23 CB SER A 3 2.552 -12.608 -15.492 1.00 0.00 C ATOM 24 OG SER A 3 3.708 -11.997 -14.946 1.00 0.00 O ATOM 0 H SER A 3 3.230 -11.222 -17.476 1.00 0.00 H new ATOM 0 HA SER A 3 3.543 -14.019 -16.774 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.749 -11.875 -15.563 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.205 -13.397 -14.825 1.00 0.00 H new ATOM 0 HG SER A 3 3.497 -11.630 -14.062 1.00 0.00 H new ATOM 30 N GLY A 4 0.583 -12.839 -17.692 1.00 0.00 N ATOM 31 CA GLY A 4 -0.685 -13.240 -18.272 1.00 0.00 C ATOM 32 C GLY A 4 -1.873 -12.683 -17.512 1.00 0.00 C ATOM 33 O GLY A 4 -1.728 -11.761 -16.710 1.00 0.00 O ATOM 0 H GLY A 4 0.655 -11.848 -17.463 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.730 -12.903 -19.308 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.746 -14.328 -18.288 1.00 0.00 H new ATOM 37 N SER A 5 -3.051 -13.244 -17.765 1.00 0.00 N ATOM 38 CA SER A 5 -4.270 -12.795 -17.102 1.00 0.00 C ATOM 39 C SER A 5 -4.217 -13.095 -15.607 1.00 0.00 C ATOM 40 O SER A 5 -4.448 -12.215 -14.777 1.00 0.00 O ATOM 41 CB SER A 5 -5.493 -13.468 -17.726 1.00 0.00 C ATOM 42 OG SER A 5 -6.675 -13.136 -17.018 1.00 0.00 O ATOM 0 H SER A 5 -3.187 -14.010 -18.424 1.00 0.00 H new ATOM 0 HA SER A 5 -4.351 -11.716 -17.236 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.590 -13.160 -18.767 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.357 -14.549 -17.725 1.00 0.00 H new ATOM 0 HG SER A 5 -7.443 -13.577 -17.438 1.00 0.00 H new ATOM 48 N SER A 6 -3.911 -14.344 -15.271 1.00 0.00 N ATOM 49 CA SER A 6 -3.832 -14.763 -13.876 1.00 0.00 C ATOM 50 C SER A 6 -2.672 -15.731 -13.665 1.00 0.00 C ATOM 51 O SER A 6 -2.504 -16.690 -14.418 1.00 0.00 O ATOM 52 CB SER A 6 -5.144 -15.419 -13.443 1.00 0.00 C ATOM 53 OG SER A 6 -5.268 -15.429 -12.032 1.00 0.00 O ATOM 0 H SER A 6 -3.714 -15.083 -15.945 1.00 0.00 H new ATOM 0 HA SER A 6 -3.659 -13.877 -13.265 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.985 -14.881 -13.881 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.186 -16.440 -13.822 1.00 0.00 H new ATOM 0 HG SER A 6 -6.116 -15.852 -11.781 1.00 0.00 H new ATOM 59 N GLY A 7 -1.873 -15.473 -12.634 1.00 0.00 N ATOM 60 CA GLY A 7 -0.739 -16.329 -12.341 1.00 0.00 C ATOM 61 C GLY A 7 0.061 -15.845 -11.148 1.00 0.00 C ATOM 62 O GLY A 7 0.307 -14.648 -11.001 1.00 0.00 O ATOM 0 H GLY A 7 -1.991 -14.686 -11.996 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.093 -17.342 -12.150 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.089 -16.377 -13.215 1.00 0.00 H new ATOM 66 N VAL A 8 0.466 -16.777 -10.291 1.00 0.00 N ATOM 67 CA VAL A 8 1.242 -16.439 -9.104 1.00 0.00 C ATOM 68 C VAL A 8 2.689 -16.122 -9.465 1.00 0.00 C ATOM 69 O VAL A 8 3.553 -16.997 -9.435 1.00 0.00 O ATOM 70 CB VAL A 8 1.220 -17.585 -8.075 1.00 0.00 C ATOM 71 CG1 VAL A 8 2.071 -17.231 -6.864 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.209 -17.900 -7.659 1.00 0.00 C ATOM 0 H VAL A 8 0.269 -17.772 -10.397 1.00 0.00 H new ATOM 0 HA VAL A 8 0.779 -15.556 -8.664 1.00 0.00 H new ATOM 0 HB VAL A 8 1.643 -18.476 -8.539 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.044 -18.052 -6.148 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.100 -17.059 -7.180 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.680 -16.328 -6.396 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.206 -18.712 -6.932 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.661 -17.015 -7.212 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.785 -18.199 -8.534 1.00 0.00 H new ATOM 82 N ALA A 9 2.945 -14.863 -9.806 1.00 0.00 N ATOM 83 CA ALA A 9 4.288 -14.429 -10.170 1.00 0.00 C ATOM 84 C ALA A 9 5.160 -14.245 -8.933 1.00 0.00 C ATOM 85 O ALA A 9 4.654 -14.020 -7.833 1.00 0.00 O ATOM 86 CB ALA A 9 4.226 -13.138 -10.972 1.00 0.00 C ATOM 0 H ALA A 9 2.240 -14.126 -9.838 1.00 0.00 H new ATOM 0 HA ALA A 9 4.739 -15.206 -10.787 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.236 -12.825 -11.237 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.647 -13.302 -11.881 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.751 -12.360 -10.374 1.00 0.00 H new ATOM 92 N ARG A 10 6.472 -14.342 -9.120 1.00 0.00 N ATOM 93 CA ARG A 10 7.414 -14.187 -8.018 1.00 0.00 C ATOM 94 C ARG A 10 7.492 -12.731 -7.569 1.00 0.00 C ATOM 95 O ARG A 10 6.887 -11.850 -8.179 1.00 0.00 O ATOM 96 CB ARG A 10 8.802 -14.679 -8.432 1.00 0.00 C ATOM 97 CG ARG A 10 8.890 -16.188 -8.597 1.00 0.00 C ATOM 98 CD ARG A 10 8.391 -16.629 -9.964 1.00 0.00 C ATOM 99 NE ARG A 10 8.813 -17.989 -10.287 1.00 0.00 N ATOM 100 CZ ARG A 10 10.047 -18.307 -10.663 1.00 0.00 C ATOM 101 NH1 ARG A 10 10.976 -17.366 -10.762 1.00 0.00 N ATOM 102 NH2 ARG A 10 10.354 -19.567 -10.941 1.00 0.00 N ATOM 0 H ARG A 10 6.907 -14.527 -10.024 1.00 0.00 H new ATOM 0 HA ARG A 10 7.057 -14.788 -7.182 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.082 -14.202 -9.372 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.529 -14.361 -7.685 1.00 0.00 H new ATOM 0 HG2 ARG A 10 9.923 -16.510 -8.464 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.302 -16.675 -7.819 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.303 -16.571 -9.989 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.764 -15.943 -10.725 1.00 0.00 H new ATOM 0 HE ARG A 10 8.122 -18.736 -10.220 1.00 0.00 H new ATOM 0 HH11 ARG A 10 10.744 -16.396 -10.549 1.00 0.00 H new ATOM 0 HH12 ARG A 10 11.923 -17.612 -11.051 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.642 -20.294 -10.866 1.00 0.00 H new ATOM 0 HH22 ARG A 10 11.302 -19.809 -11.230 1.00 0.00 H new ATOM 116 N SER A 11 8.241 -12.486 -6.499 1.00 0.00 N ATOM 117 CA SER A 11 8.395 -11.137 -5.966 1.00 0.00 C ATOM 118 C SER A 11 8.583 -10.126 -7.092 1.00 0.00 C ATOM 119 O SER A 11 9.393 -10.331 -7.997 1.00 0.00 O ATOM 120 CB SER A 11 9.586 -11.078 -5.007 1.00 0.00 C ATOM 121 OG SER A 11 9.397 -11.947 -3.904 1.00 0.00 O ATOM 0 H SER A 11 8.751 -13.204 -5.984 1.00 0.00 H new ATOM 0 HA SER A 11 7.486 -10.882 -5.421 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.498 -11.352 -5.538 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.719 -10.057 -4.650 1.00 0.00 H new ATOM 0 HG SER A 11 10.173 -11.892 -3.307 1.00 0.00 H new ATOM 127 N SER A 12 7.829 -9.033 -7.030 1.00 0.00 N ATOM 128 CA SER A 12 7.909 -7.990 -8.047 1.00 0.00 C ATOM 129 C SER A 12 8.698 -6.790 -7.532 1.00 0.00 C ATOM 130 O SER A 12 8.567 -6.396 -6.373 1.00 0.00 O ATOM 131 CB SER A 12 6.506 -7.551 -8.468 1.00 0.00 C ATOM 132 OG SER A 12 6.563 -6.589 -9.507 1.00 0.00 O ATOM 0 H SER A 12 7.156 -8.846 -6.287 1.00 0.00 H new ATOM 0 HA SER A 12 8.428 -8.399 -8.913 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.935 -8.418 -8.801 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.979 -7.133 -7.610 1.00 0.00 H new ATOM 0 HG SER A 12 5.653 -6.326 -9.759 1.00 0.00 H new ATOM 138 N LYS A 13 9.517 -6.211 -8.403 1.00 0.00 N ATOM 139 CA LYS A 13 10.327 -5.054 -8.040 1.00 0.00 C ATOM 140 C LYS A 13 9.564 -4.129 -7.098 1.00 0.00 C ATOM 141 O LYS A 13 10.119 -3.628 -6.119 1.00 0.00 O ATOM 142 CB LYS A 13 10.748 -4.286 -9.295 1.00 0.00 C ATOM 143 CG LYS A 13 11.836 -4.980 -10.097 1.00 0.00 C ATOM 144 CD LYS A 13 12.662 -3.985 -10.894 1.00 0.00 C ATOM 145 CE LYS A 13 11.963 -3.589 -12.186 1.00 0.00 C ATOM 146 NZ LYS A 13 10.801 -2.692 -11.936 1.00 0.00 N ATOM 0 H LYS A 13 9.638 -6.524 -9.366 1.00 0.00 H new ATOM 0 HA LYS A 13 11.218 -5.413 -7.525 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.875 -4.141 -9.932 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.098 -3.296 -9.004 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.487 -5.537 -9.423 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.384 -5.704 -10.775 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.844 -3.096 -10.290 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.635 -4.419 -11.124 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.673 -3.088 -12.844 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.624 -4.486 -12.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.731 -1.993 -12.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.928 -3.256 -11.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.931 -2.199 -11.029 1.00 0.00 H new ATOM 160 N LEU A 14 8.289 -3.909 -7.398 1.00 0.00 N ATOM 161 CA LEU A 14 7.448 -3.045 -6.576 1.00 0.00 C ATOM 162 C LEU A 14 7.277 -3.624 -5.175 1.00 0.00 C ATOM 163 O LEU A 14 7.620 -2.983 -4.180 1.00 0.00 O ATOM 164 CB LEU A 14 6.079 -2.858 -7.233 1.00 0.00 C ATOM 165 CG LEU A 14 5.003 -2.204 -6.366 1.00 0.00 C ATOM 166 CD1 LEU A 14 5.276 -0.716 -6.208 1.00 0.00 C ATOM 167 CD2 LEU A 14 3.623 -2.433 -6.965 1.00 0.00 C ATOM 0 H LEU A 14 7.815 -4.316 -8.204 1.00 0.00 H new ATOM 0 HA LEU A 14 7.939 -2.076 -6.491 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.209 -2.255 -8.132 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.715 -3.834 -7.553 1.00 0.00 H new ATOM 0 HG LEU A 14 5.030 -2.665 -5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.500 -0.268 -5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.247 -0.573 -5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.277 -0.240 -7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.870 -1.961 -6.335 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.584 -2.000 -7.964 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.426 -3.503 -7.026 1.00 0.00 H new ATOM 179 N LEU A 15 6.749 -4.841 -5.104 1.00 0.00 N ATOM 180 CA LEU A 15 6.535 -5.508 -3.824 1.00 0.00 C ATOM 181 C LEU A 15 7.675 -5.208 -2.856 1.00 0.00 C ATOM 182 O LEU A 15 7.465 -4.609 -1.802 1.00 0.00 O ATOM 183 CB LEU A 15 6.410 -7.019 -4.030 1.00 0.00 C ATOM 184 CG LEU A 15 6.517 -7.879 -2.770 1.00 0.00 C ATOM 185 CD1 LEU A 15 5.361 -7.588 -1.825 1.00 0.00 C ATOM 186 CD2 LEU A 15 6.553 -9.356 -3.133 1.00 0.00 C ATOM 0 H LEU A 15 6.461 -5.386 -5.917 1.00 0.00 H new ATOM 0 HA LEU A 15 5.609 -5.127 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.450 -7.223 -4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.184 -7.336 -4.729 1.00 0.00 H new ATOM 0 HG LEU A 15 7.448 -7.628 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.454 -8.209 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.381 -6.537 -1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.418 -7.809 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.629 -9.952 -2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.640 -9.622 -3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.415 -9.553 -3.770 1.00 0.00 H new ATOM 198 N GLY A 16 8.882 -5.626 -3.223 1.00 0.00 N ATOM 199 CA GLY A 16 10.038 -5.390 -2.377 1.00 0.00 C ATOM 200 C GLY A 16 9.993 -4.036 -1.699 1.00 0.00 C ATOM 201 O GLY A 16 9.932 -3.950 -0.472 1.00 0.00 O ATOM 0 H GLY A 16 9.081 -6.124 -4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.095 -6.171 -1.619 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.945 -5.462 -2.978 1.00 0.00 H new ATOM 205 N TRP A 17 10.024 -2.975 -2.497 1.00 0.00 N ATOM 206 CA TRP A 17 9.989 -1.617 -1.965 1.00 0.00 C ATOM 207 C TRP A 17 9.001 -1.511 -0.808 1.00 0.00 C ATOM 208 O TRP A 17 9.325 -0.968 0.249 1.00 0.00 O ATOM 209 CB TRP A 17 9.611 -0.626 -3.067 1.00 0.00 C ATOM 210 CG TRP A 17 9.725 0.807 -2.642 1.00 0.00 C ATOM 211 CD1 TRP A 17 10.867 1.553 -2.574 1.00 0.00 C ATOM 212 CD2 TRP A 17 8.658 1.665 -2.223 1.00 0.00 C ATOM 213 NE1 TRP A 17 10.573 2.823 -2.139 1.00 0.00 N ATOM 214 CE2 TRP A 17 9.225 2.917 -1.917 1.00 0.00 C ATOM 215 CE3 TRP A 17 7.278 1.497 -2.078 1.00 0.00 C ATOM 216 CZ2 TRP A 17 8.459 3.993 -1.476 1.00 0.00 C ATOM 217 CZ3 TRP A 17 6.519 2.565 -1.639 1.00 0.00 C ATOM 218 CH2 TRP A 17 7.111 3.801 -1.343 1.00 0.00 C ATOM 0 H TRP A 17 10.073 -3.028 -3.514 1.00 0.00 H new ATOM 0 HA TRP A 17 10.984 -1.373 -1.592 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.253 -0.793 -3.932 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.588 -0.822 -3.387 1.00 0.00 H new ATOM 0 HD1 TRP A 17 11.855 1.197 -2.825 1.00 0.00 H new ATOM 0 HE1 TRP A 17 11.250 3.574 -2.003 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.813 0.549 -2.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.913 4.946 -1.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.452 2.446 -1.522 1.00 0.00 H new ATOM 0 HH2 TRP A 17 6.491 4.617 -1.003 1.00 0.00 H new ATOM 229 N CYS A 18 7.797 -2.033 -1.014 1.00 0.00 N ATOM 230 CA CYS A 18 6.762 -1.996 0.013 1.00 0.00 C ATOM 231 C CYS A 18 7.182 -2.803 1.237 1.00 0.00 C ATOM 232 O CYS A 18 6.931 -2.401 2.373 1.00 0.00 O ATOM 233 CB CYS A 18 5.444 -2.538 -0.543 1.00 0.00 C ATOM 234 SG CYS A 18 4.919 -1.760 -2.088 1.00 0.00 S ATOM 0 H CYS A 18 7.514 -2.487 -1.882 1.00 0.00 H new ATOM 0 HA CYS A 18 6.621 -0.958 0.316 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.544 -3.611 -0.705 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.663 -2.400 0.204 1.00 0.00 H new ATOM 0 HG CYS A 18 3.628 -1.856 -2.205 1.00 0.00 H new ATOM 240 N GLN A 19 7.820 -3.944 0.997 1.00 0.00 N ATOM 241 CA GLN A 19 8.272 -4.809 2.080 1.00 0.00 C ATOM 242 C GLN A 19 9.333 -4.112 2.926 1.00 0.00 C ATOM 243 O GLN A 19 9.247 -4.091 4.154 1.00 0.00 O ATOM 244 CB GLN A 19 8.829 -6.118 1.518 1.00 0.00 C ATOM 245 CG GLN A 19 7.822 -6.904 0.695 1.00 0.00 C ATOM 246 CD GLN A 19 8.196 -8.367 0.557 1.00 0.00 C ATOM 247 OE1 GLN A 19 7.216 -9.247 0.725 1.00 0.00 O flip ATOM 248 NE2 GLN A 19 9.353 -8.702 0.301 1.00 0.00 N flip ATOM 0 H GLN A 19 8.035 -4.291 0.062 1.00 0.00 H new ATOM 0 HA GLN A 19 7.415 -5.031 2.715 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.698 -5.897 0.899 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.175 -6.740 2.343 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.839 -6.826 1.160 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.742 -6.458 -0.296 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.075 -7.991 0.180 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.590 -9.690 0.210 1.00 0.00 H new ATOM 257 N ARG A 20 10.334 -3.545 2.261 1.00 0.00 N ATOM 258 CA ARG A 20 11.412 -2.848 2.952 1.00 0.00 C ATOM 259 C ARG A 20 10.902 -1.567 3.605 1.00 0.00 C ATOM 260 O ARG A 20 11.221 -1.279 4.758 1.00 0.00 O ATOM 261 CB ARG A 20 12.544 -2.520 1.975 1.00 0.00 C ATOM 262 CG ARG A 20 13.286 -3.746 1.469 1.00 0.00 C ATOM 263 CD ARG A 20 14.241 -4.293 2.519 1.00 0.00 C ATOM 264 NE ARG A 20 14.578 -5.693 2.277 1.00 0.00 N ATOM 265 CZ ARG A 20 13.758 -6.703 2.544 1.00 0.00 C ATOM 266 NH1 ARG A 20 12.559 -6.470 3.060 1.00 0.00 N ATOM 267 NH2 ARG A 20 14.137 -7.950 2.296 1.00 0.00 N ATOM 0 H ARG A 20 10.421 -3.555 1.245 1.00 0.00 H new ATOM 0 HA ARG A 20 11.794 -3.505 3.733 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.132 -1.978 1.124 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.253 -1.853 2.465 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.568 -4.518 1.191 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.843 -3.489 0.568 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.153 -3.697 2.525 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.789 -4.194 3.506 1.00 0.00 H new ATOM 0 HE ARG A 20 15.493 -5.907 1.881 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.264 -5.513 3.253 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.932 -7.248 3.264 1.00 0.00 H new ATOM 0 HH21 ARG A 20 15.059 -8.134 1.900 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.507 -8.725 2.501 1.00 0.00 H new ATOM 281 N GLN A 21 10.110 -0.804 2.859 1.00 0.00 N ATOM 282 CA GLN A 21 9.558 0.447 3.366 1.00 0.00 C ATOM 283 C GLN A 21 8.632 0.192 4.550 1.00 0.00 C ATOM 284 O GLN A 21 8.778 0.803 5.610 1.00 0.00 O ATOM 285 CB GLN A 21 8.799 1.180 2.258 1.00 0.00 C ATOM 286 CG GLN A 21 9.707 1.844 1.236 1.00 0.00 C ATOM 287 CD GLN A 21 10.999 2.350 1.844 1.00 0.00 C ATOM 288 OE1 GLN A 21 10.995 3.269 2.664 1.00 0.00 O ATOM 289 NE2 GLN A 21 12.116 1.752 1.446 1.00 0.00 N ATOM 0 H GLN A 21 9.836 -1.030 1.903 1.00 0.00 H new ATOM 0 HA GLN A 21 10.386 1.071 3.703 1.00 0.00 H new ATOM 0 HB2 GLN A 21 8.146 0.472 1.747 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.157 1.937 2.708 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.937 1.132 0.444 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.178 2.676 0.772 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.074 0.994 0.764 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.016 2.050 1.822 1.00 0.00 H new ATOM 298 N THR A 22 7.677 -0.713 4.365 1.00 0.00 N ATOM 299 CA THR A 22 6.725 -1.048 5.417 1.00 0.00 C ATOM 300 C THR A 22 7.417 -1.748 6.581 1.00 0.00 C ATOM 301 O THR A 22 6.794 -2.037 7.603 1.00 0.00 O ATOM 302 CB THR A 22 5.596 -1.952 4.887 1.00 0.00 C ATOM 303 OG1 THR A 22 6.124 -3.231 4.521 1.00 0.00 O ATOM 304 CG2 THR A 22 4.914 -1.316 3.685 1.00 0.00 C ATOM 0 H THR A 22 7.542 -1.228 3.495 1.00 0.00 H new ATOM 0 HA THR A 22 6.295 -0.109 5.765 1.00 0.00 H new ATOM 0 HB THR A 22 4.858 -2.078 5.679 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.734 -3.128 3.761 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.120 -1.972 3.328 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.488 -0.355 3.975 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.644 -1.164 2.890 1.00 0.00 H new ATOM 312 N ASP A 23 8.708 -2.018 6.421 1.00 0.00 N ATOM 313 CA ASP A 23 9.485 -2.683 7.460 1.00 0.00 C ATOM 314 C ASP A 23 9.641 -1.783 8.682 1.00 0.00 C ATOM 315 O ASP A 23 10.159 -0.671 8.585 1.00 0.00 O ATOM 316 CB ASP A 23 10.861 -3.078 6.923 1.00 0.00 C ATOM 317 CG ASP A 23 11.585 -4.044 7.840 1.00 0.00 C ATOM 318 OD1 ASP A 23 10.976 -5.061 8.230 1.00 0.00 O ATOM 319 OD2 ASP A 23 12.761 -3.781 8.170 1.00 0.00 O ATOM 0 H ASP A 23 9.238 -1.786 5.581 1.00 0.00 H new ATOM 0 HA ASP A 23 8.949 -3.583 7.760 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.747 -3.532 5.939 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.468 -2.182 6.792 1.00 0.00 H new ATOM 324 N GLY A 24 9.187 -2.272 9.832 1.00 0.00 N ATOM 325 CA GLY A 24 9.284 -1.498 11.056 1.00 0.00 C ATOM 326 C GLY A 24 7.945 -1.337 11.748 1.00 0.00 C ATOM 327 O GLY A 24 7.886 -1.102 12.955 1.00 0.00 O ATOM 0 H GLY A 24 8.754 -3.189 9.938 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.984 -1.984 11.735 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.692 -0.513 10.828 1.00 0.00 H new ATOM 331 N TYR A 25 6.867 -1.462 10.982 1.00 0.00 N ATOM 332 CA TYR A 25 5.522 -1.324 11.528 1.00 0.00 C ATOM 333 C TYR A 25 5.148 -2.541 12.369 1.00 0.00 C ATOM 334 O TYR A 25 5.865 -3.541 12.387 1.00 0.00 O ATOM 335 CB TYR A 25 4.507 -1.140 10.398 1.00 0.00 C ATOM 336 CG TYR A 25 4.428 0.279 9.880 1.00 0.00 C ATOM 337 CD1 TYR A 25 5.370 0.765 8.982 1.00 0.00 C ATOM 338 CD2 TYR A 25 3.411 1.133 10.289 1.00 0.00 C ATOM 339 CE1 TYR A 25 5.302 2.060 8.507 1.00 0.00 C ATOM 340 CE2 TYR A 25 3.335 2.429 9.818 1.00 0.00 C ATOM 341 CZ TYR A 25 4.283 2.888 8.928 1.00 0.00 C ATOM 342 OH TYR A 25 4.211 4.179 8.456 1.00 0.00 O ATOM 0 H TYR A 25 6.898 -1.659 9.982 1.00 0.00 H new ATOM 0 HA TYR A 25 5.506 -0.443 12.169 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.768 -1.804 9.574 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.522 -1.444 10.753 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.169 0.119 8.650 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.668 0.777 10.987 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.043 2.422 7.810 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.537 3.080 10.145 1.00 0.00 H new ATOM 0 HH TYR A 25 4.067 4.794 9.206 1.00 0.00 H new ATOM 352 N ALA A 26 4.019 -2.447 13.064 1.00 0.00 N ATOM 353 CA ALA A 26 3.547 -3.540 13.905 1.00 0.00 C ATOM 354 C ALA A 26 2.391 -4.283 13.243 1.00 0.00 C ATOM 355 O ALA A 26 1.335 -3.707 12.988 1.00 0.00 O ATOM 356 CB ALA A 26 3.125 -3.012 15.268 1.00 0.00 C ATOM 0 H ALA A 26 3.415 -1.625 13.061 1.00 0.00 H new ATOM 0 HA ALA A 26 4.368 -4.244 14.038 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.775 -3.839 15.886 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.976 -2.533 15.752 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.322 -2.286 15.144 1.00 0.00 H new ATOM 362 N GLY A 27 2.600 -5.566 12.965 1.00 0.00 N ATOM 363 CA GLY A 27 1.567 -6.367 12.334 1.00 0.00 C ATOM 364 C GLY A 27 1.418 -6.061 10.857 1.00 0.00 C ATOM 365 O GLY A 27 0.391 -6.367 10.252 1.00 0.00 O ATOM 0 H GLY A 27 3.467 -6.065 13.166 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.802 -7.424 12.461 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.616 -6.190 12.836 1.00 0.00 H new ATOM 369 N VAL A 28 2.446 -5.452 10.273 1.00 0.00 N ATOM 370 CA VAL A 28 2.425 -5.104 8.858 1.00 0.00 C ATOM 371 C VAL A 28 3.497 -5.867 8.088 1.00 0.00 C ATOM 372 O VAL A 28 4.393 -5.270 7.494 1.00 0.00 O ATOM 373 CB VAL A 28 2.637 -3.593 8.649 1.00 0.00 C ATOM 374 CG1 VAL A 28 2.713 -3.264 7.165 1.00 0.00 C ATOM 375 CG2 VAL A 28 1.527 -2.801 9.323 1.00 0.00 C ATOM 0 H VAL A 28 3.304 -5.190 10.759 1.00 0.00 H new ATOM 0 HA VAL A 28 1.442 -5.382 8.478 1.00 0.00 H new ATOM 0 HB VAL A 28 3.584 -3.310 9.108 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.863 -2.192 7.037 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.547 -3.803 6.715 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.784 -3.561 6.678 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.693 -1.735 9.165 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.566 -3.086 8.896 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.526 -3.014 10.392 1.00 0.00 H new ATOM 385 N ASN A 29 3.397 -7.193 8.103 1.00 0.00 N ATOM 386 CA ASN A 29 4.358 -8.040 7.405 1.00 0.00 C ATOM 387 C ASN A 29 3.916 -8.295 5.968 1.00 0.00 C ATOM 388 O ASN A 29 3.364 -9.350 5.655 1.00 0.00 O ATOM 389 CB ASN A 29 4.527 -9.370 8.143 1.00 0.00 C ATOM 390 CG ASN A 29 5.057 -10.467 7.241 1.00 0.00 C ATOM 391 OD1 ASN A 29 6.103 -10.316 6.610 1.00 0.00 O ATOM 392 ND2 ASN A 29 4.336 -11.580 7.177 1.00 0.00 N ATOM 0 H ASN A 29 2.661 -7.704 8.591 1.00 0.00 H new ATOM 0 HA ASN A 29 5.315 -7.519 7.384 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.208 -9.233 8.983 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.567 -9.677 8.558 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.643 -12.353 6.587 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.475 -11.662 7.718 1.00 0.00 H new ATOM 399 N VAL A 30 4.162 -7.321 5.097 1.00 0.00 N ATOM 400 CA VAL A 30 3.792 -7.441 3.692 1.00 0.00 C ATOM 401 C VAL A 30 4.541 -8.586 3.021 1.00 0.00 C ATOM 402 O VAL A 30 5.759 -8.530 2.848 1.00 0.00 O ATOM 403 CB VAL A 30 4.076 -6.136 2.924 1.00 0.00 C ATOM 404 CG1 VAL A 30 3.927 -6.355 1.426 1.00 0.00 C ATOM 405 CG2 VAL A 30 3.154 -5.025 3.402 1.00 0.00 C ATOM 0 H VAL A 30 4.616 -6.440 5.340 1.00 0.00 H new ATOM 0 HA VAL A 30 2.722 -7.646 3.663 1.00 0.00 H new ATOM 0 HB VAL A 30 5.104 -5.835 3.123 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.131 -5.423 0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.632 -7.119 1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.911 -6.681 1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.369 -4.111 2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.117 -5.316 3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.315 -4.851 4.466 1.00 0.00 H new ATOM 415 N THR A 31 3.805 -9.627 2.644 1.00 0.00 N ATOM 416 CA THR A 31 4.399 -10.788 1.992 1.00 0.00 C ATOM 417 C THR A 31 3.692 -11.104 0.680 1.00 0.00 C ATOM 418 O THR A 31 4.125 -11.973 -0.077 1.00 0.00 O ATOM 419 CB THR A 31 4.349 -12.030 2.902 1.00 0.00 C ATOM 420 OG1 THR A 31 4.940 -13.150 2.234 1.00 0.00 O ATOM 421 CG2 THR A 31 2.915 -12.361 3.286 1.00 0.00 C ATOM 0 H THR A 31 2.796 -9.690 2.779 1.00 0.00 H new ATOM 0 HA THR A 31 5.440 -10.538 1.788 1.00 0.00 H new ATOM 0 HB THR A 31 4.911 -11.811 3.810 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.849 -13.038 1.265 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.904 -13.241 3.929 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.477 -11.517 3.819 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.334 -12.562 2.386 1.00 0.00 H new ATOM 429 N ASP A 32 2.601 -10.393 0.415 1.00 0.00 N ATOM 430 CA ASP A 32 1.834 -10.596 -0.808 1.00 0.00 C ATOM 431 C ASP A 32 1.621 -9.276 -1.543 1.00 0.00 C ATOM 432 O ASP A 32 2.029 -8.216 -1.066 1.00 0.00 O ATOM 433 CB ASP A 32 0.484 -11.239 -0.488 1.00 0.00 C ATOM 434 CG ASP A 32 0.614 -12.423 0.450 1.00 0.00 C ATOM 435 OD1 ASP A 32 1.557 -13.222 0.270 1.00 0.00 O ATOM 436 OD2 ASP A 32 -0.226 -12.550 1.365 1.00 0.00 O ATOM 0 H ASP A 32 2.228 -9.671 1.031 1.00 0.00 H new ATOM 0 HA ASP A 32 2.402 -11.264 -1.456 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.173 -10.494 -0.039 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.011 -11.564 -1.415 1.00 0.00 H new ATOM 441 N LEU A 33 0.981 -9.348 -2.705 1.00 0.00 N ATOM 442 CA LEU A 33 0.715 -8.159 -3.506 1.00 0.00 C ATOM 443 C LEU A 33 -0.783 -7.974 -3.725 1.00 0.00 C ATOM 444 O LEU A 33 -1.207 -7.152 -4.539 1.00 0.00 O ATOM 445 CB LEU A 33 1.431 -8.257 -4.855 1.00 0.00 C ATOM 446 CG LEU A 33 2.870 -7.742 -4.890 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.513 -8.049 -6.233 1.00 0.00 C ATOM 448 CD2 LEU A 33 2.908 -6.247 -4.607 1.00 0.00 C ATOM 0 H LEU A 33 0.637 -10.217 -3.113 1.00 0.00 H new ATOM 0 HA LEU A 33 1.094 -7.293 -2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.432 -9.301 -5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.850 -7.704 -5.593 1.00 0.00 H new ATOM 0 HG LEU A 33 3.438 -8.253 -4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.537 -7.675 -6.240 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.519 -9.127 -6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.945 -7.565 -7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.940 -5.897 -4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.325 -5.719 -5.361 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.487 -6.053 -3.621 1.00 0.00 H new ATOM 460 N THR A 34 -1.583 -8.742 -2.991 1.00 0.00 N ATOM 461 CA THR A 34 -3.033 -8.662 -3.104 1.00 0.00 C ATOM 462 C THR A 34 -3.688 -8.581 -1.729 1.00 0.00 C ATOM 463 O THR A 34 -4.212 -7.537 -1.342 1.00 0.00 O ATOM 464 CB THR A 34 -3.605 -9.875 -3.861 1.00 0.00 C ATOM 465 OG1 THR A 34 -3.202 -11.089 -3.217 1.00 0.00 O ATOM 466 CG2 THR A 34 -3.134 -9.882 -5.307 1.00 0.00 C ATOM 0 H THR A 34 -1.250 -9.426 -2.312 1.00 0.00 H new ATOM 0 HA THR A 34 -3.257 -7.754 -3.665 1.00 0.00 H new ATOM 0 HB THR A 34 -4.692 -9.802 -3.850 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.571 -11.855 -3.703 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.551 -10.748 -5.821 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.467 -8.970 -5.803 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.046 -9.933 -5.335 1.00 0.00 H new ATOM 474 N MET A 35 -3.653 -9.689 -0.996 1.00 0.00 N ATOM 475 CA MET A 35 -4.242 -9.741 0.337 1.00 0.00 C ATOM 476 C MET A 35 -3.482 -8.838 1.303 1.00 0.00 C ATOM 477 O MET A 35 -4.085 -8.100 2.083 1.00 0.00 O ATOM 478 CB MET A 35 -4.246 -11.179 0.860 1.00 0.00 C ATOM 479 CG MET A 35 -4.990 -12.151 -0.040 1.00 0.00 C ATOM 480 SD MET A 35 -4.497 -13.864 0.230 1.00 0.00 S ATOM 481 CE MET A 35 -2.768 -13.796 -0.231 1.00 0.00 C ATOM 0 H MET A 35 -3.223 -10.562 -1.302 1.00 0.00 H new ATOM 0 HA MET A 35 -5.270 -9.385 0.267 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.216 -11.518 0.974 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.699 -11.195 1.851 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.062 -12.054 0.134 1.00 0.00 H new ATOM 0 HG3 MET A 35 -4.811 -11.885 -1.082 1.00 0.00 H new ATOM 0 HE1 MET A 35 -2.563 -14.553 -0.988 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.537 -12.809 -0.633 1.00 0.00 H new ATOM 0 HE3 MET A 35 -2.150 -13.984 0.647 1.00 0.00 H new ATOM 491 N SER A 36 -2.155 -8.901 1.246 1.00 0.00 N ATOM 492 CA SER A 36 -1.313 -8.092 2.119 1.00 0.00 C ATOM 493 C SER A 36 -1.807 -6.649 2.166 1.00 0.00 C ATOM 494 O SER A 36 -1.524 -5.915 3.112 1.00 0.00 O ATOM 495 CB SER A 36 0.139 -8.129 1.639 1.00 0.00 C ATOM 496 OG SER A 36 0.905 -7.106 2.251 1.00 0.00 O ATOM 0 H SER A 36 -1.640 -9.504 0.604 1.00 0.00 H new ATOM 0 HA SER A 36 -1.368 -8.510 3.124 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.576 -9.101 1.868 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.170 -8.012 0.556 1.00 0.00 H new ATOM 0 HG SER A 36 0.869 -6.296 1.700 1.00 0.00 H new ATOM 502 N TRP A 37 -2.548 -6.251 1.138 1.00 0.00 N ATOM 503 CA TRP A 37 -3.083 -4.896 1.061 1.00 0.00 C ATOM 504 C TRP A 37 -4.577 -4.882 1.363 1.00 0.00 C ATOM 505 O TRP A 37 -5.139 -3.847 1.723 1.00 0.00 O ATOM 506 CB TRP A 37 -2.825 -4.302 -0.325 1.00 0.00 C ATOM 507 CG TRP A 37 -1.386 -4.366 -0.740 1.00 0.00 C ATOM 508 CD1 TRP A 37 -0.742 -5.431 -1.303 1.00 0.00 C ATOM 509 CD2 TRP A 37 -0.413 -3.322 -0.624 1.00 0.00 C ATOM 510 NE1 TRP A 37 0.573 -5.112 -1.543 1.00 0.00 N ATOM 511 CE2 TRP A 37 0.799 -3.823 -1.137 1.00 0.00 C ATOM 512 CE3 TRP A 37 -0.449 -2.012 -0.139 1.00 0.00 C ATOM 513 CZ2 TRP A 37 1.963 -3.060 -1.175 1.00 0.00 C ATOM 514 CZ3 TRP A 37 0.707 -1.255 -0.178 1.00 0.00 C ATOM 515 CH2 TRP A 37 1.899 -1.781 -0.694 1.00 0.00 C ATOM 0 H TRP A 37 -2.792 -6.847 0.347 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.575 -4.289 1.810 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.431 -4.833 -1.059 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.152 -3.262 -0.334 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.199 -6.384 -1.527 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.268 -5.734 -1.956 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.364 -1.598 0.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.884 -3.464 -1.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.691 -0.242 0.195 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.785 -1.164 -0.712 1.00 0.00 H new ATOM 526 N LYS A 38 -5.216 -6.038 1.217 1.00 0.00 N ATOM 527 CA LYS A 38 -6.646 -6.160 1.476 1.00 0.00 C ATOM 528 C LYS A 38 -6.995 -5.628 2.862 1.00 0.00 C ATOM 529 O LYS A 38 -7.994 -4.930 3.037 1.00 0.00 O ATOM 530 CB LYS A 38 -7.085 -7.621 1.353 1.00 0.00 C ATOM 531 CG LYS A 38 -7.429 -8.035 -0.068 1.00 0.00 C ATOM 532 CD LYS A 38 -7.829 -9.499 -0.140 1.00 0.00 C ATOM 533 CE LYS A 38 -9.290 -9.696 0.237 1.00 0.00 C ATOM 534 NZ LYS A 38 -9.476 -9.770 1.713 1.00 0.00 N ATOM 0 H LYS A 38 -4.766 -6.904 0.921 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.176 -5.564 0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.288 -8.264 1.727 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.953 -7.786 1.991 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.244 -7.415 -0.441 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.571 -7.859 -0.717 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.658 -9.875 -1.149 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.197 -10.083 0.529 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.883 -8.873 -0.163 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.664 -10.611 -0.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.002 -10.634 1.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.547 -9.789 2.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.009 -8.938 2.038 1.00 0.00 H new ATOM 548 N SER A 39 -6.165 -5.962 3.845 1.00 0.00 N ATOM 549 CA SER A 39 -6.388 -5.521 5.217 1.00 0.00 C ATOM 550 C SER A 39 -6.408 -3.997 5.301 1.00 0.00 C ATOM 551 O SER A 39 -7.142 -3.418 6.099 1.00 0.00 O ATOM 552 CB SER A 39 -5.301 -6.079 6.138 1.00 0.00 C ATOM 553 OG SER A 39 -4.012 -5.881 5.584 1.00 0.00 O ATOM 0 H SER A 39 -5.332 -6.537 3.717 1.00 0.00 H new ATOM 0 HA SER A 39 -7.358 -5.899 5.541 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.360 -5.593 7.112 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.470 -7.143 6.302 1.00 0.00 H new ATOM 0 HG SER A 39 -3.335 -6.245 6.192 1.00 0.00 H new ATOM 559 N GLY A 40 -5.593 -3.354 4.469 1.00 0.00 N ATOM 560 CA GLY A 40 -5.532 -1.905 4.464 1.00 0.00 C ATOM 561 C GLY A 40 -4.304 -1.374 5.178 1.00 0.00 C ATOM 562 O GLY A 40 -3.650 -0.448 4.698 1.00 0.00 O ATOM 0 H GLY A 40 -4.975 -3.811 3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.533 -1.548 3.434 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.427 -1.505 4.941 1.00 0.00 H new ATOM 566 N LEU A 41 -3.992 -1.960 6.328 1.00 0.00 N ATOM 567 CA LEU A 41 -2.835 -1.540 7.111 1.00 0.00 C ATOM 568 C LEU A 41 -1.655 -1.208 6.204 1.00 0.00 C ATOM 569 O LEU A 41 -1.255 -0.049 6.088 1.00 0.00 O ATOM 570 CB LEU A 41 -2.439 -2.637 8.101 1.00 0.00 C ATOM 571 CG LEU A 41 -3.467 -2.967 9.184 1.00 0.00 C ATOM 572 CD1 LEU A 41 -3.044 -4.203 9.963 1.00 0.00 C ATOM 573 CD2 LEU A 41 -3.655 -1.782 10.120 1.00 0.00 C ATOM 0 H LEU A 41 -4.524 -2.727 6.739 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.108 -0.641 7.664 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.228 -3.547 7.539 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.510 -2.341 8.588 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.421 -3.177 8.700 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.788 -4.422 10.729 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.962 -5.051 9.283 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.079 -4.022 10.436 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.390 -2.035 10.884 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.705 -1.540 10.596 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.005 -0.921 9.551 1.00 0.00 H new ATOM 585 N ALA A 42 -1.102 -2.231 5.561 1.00 0.00 N ATOM 586 CA ALA A 42 0.029 -2.047 4.661 1.00 0.00 C ATOM 587 C ALA A 42 -0.060 -0.710 3.933 1.00 0.00 C ATOM 588 O ALA A 42 0.753 0.187 4.160 1.00 0.00 O ATOM 589 CB ALA A 42 0.099 -3.192 3.660 1.00 0.00 C ATOM 0 H ALA A 42 -1.419 -3.197 5.647 1.00 0.00 H new ATOM 0 HA ALA A 42 0.940 -2.045 5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.949 -3.042 2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.219 -4.135 4.194 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.820 -3.220 3.075 1.00 0.00 H new ATOM 595 N LEU A 43 -1.051 -0.584 3.058 1.00 0.00 N ATOM 596 CA LEU A 43 -1.246 0.644 2.295 1.00 0.00 C ATOM 597 C LEU A 43 -1.091 1.871 3.189 1.00 0.00 C ATOM 598 O LEU A 43 -0.456 2.854 2.806 1.00 0.00 O ATOM 599 CB LEU A 43 -2.629 0.648 1.641 1.00 0.00 C ATOM 600 CG LEU A 43 -2.897 1.776 0.644 1.00 0.00 C ATOM 601 CD1 LEU A 43 -1.765 1.875 -0.367 1.00 0.00 C ATOM 602 CD2 LEU A 43 -4.227 1.558 -0.062 1.00 0.00 C ATOM 0 H LEU A 43 -1.732 -1.317 2.859 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.483 0.684 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.769 -0.304 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.381 0.700 2.428 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.949 2.716 1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.973 2.683 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.829 2.078 0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.680 0.935 -0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.402 2.370 -0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.203 0.610 -0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.031 1.538 0.674 1.00 0.00 H new ATOM 614 N CYS A 44 -1.673 1.804 4.381 1.00 0.00 N ATOM 615 CA CYS A 44 -1.598 2.909 5.331 1.00 0.00 C ATOM 616 C CYS A 44 -0.164 3.126 5.801 1.00 0.00 C ATOM 617 O CYS A 44 0.272 4.260 5.994 1.00 0.00 O ATOM 618 CB CYS A 44 -2.506 2.638 6.532 1.00 0.00 C ATOM 619 SG CYS A 44 -4.228 2.301 6.095 1.00 0.00 S ATOM 0 H CYS A 44 -2.202 0.997 4.713 1.00 0.00 H new ATOM 0 HA CYS A 44 -1.936 3.814 4.826 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.111 1.788 7.088 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.474 3.499 7.200 1.00 0.00 H new ATOM 0 HG CYS A 44 -4.300 1.175 5.450 1.00 0.00 H new ATOM 625 N ALA A 45 0.565 2.030 5.986 1.00 0.00 N ATOM 626 CA ALA A 45 1.951 2.100 6.433 1.00 0.00 C ATOM 627 C ALA A 45 2.832 2.772 5.386 1.00 0.00 C ATOM 628 O ALA A 45 3.942 3.213 5.686 1.00 0.00 O ATOM 629 CB ALA A 45 2.474 0.707 6.751 1.00 0.00 C ATOM 0 H ALA A 45 0.219 1.083 5.833 1.00 0.00 H new ATOM 0 HA ALA A 45 1.985 2.704 7.340 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.510 0.774 7.083 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.868 0.262 7.540 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.419 0.085 5.857 1.00 0.00 H new ATOM 635 N ILE A 46 2.332 2.846 4.157 1.00 0.00 N ATOM 636 CA ILE A 46 3.075 3.464 3.067 1.00 0.00 C ATOM 637 C ILE A 46 2.981 4.985 3.130 1.00 0.00 C ATOM 638 O ILE A 46 3.992 5.683 3.056 1.00 0.00 O ATOM 639 CB ILE A 46 2.563 2.987 1.695 1.00 0.00 C ATOM 640 CG1 ILE A 46 2.693 1.467 1.578 1.00 0.00 C ATOM 641 CG2 ILE A 46 3.327 3.677 0.575 1.00 0.00 C ATOM 642 CD1 ILE A 46 4.098 1.003 1.263 1.00 0.00 C ATOM 0 H ILE A 46 1.415 2.485 3.892 1.00 0.00 H new ATOM 0 HA ILE A 46 4.116 3.161 3.184 1.00 0.00 H new ATOM 0 HB ILE A 46 1.509 3.251 1.605 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.369 1.010 2.513 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.018 1.112 0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.954 3.329 -0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.188 4.755 0.650 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.388 3.441 0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.115 -0.085 1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.418 1.431 0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.774 1.328 2.054 1.00 0.00 H new ATOM 654 N ILE A 47 1.760 5.491 3.270 1.00 0.00 N ATOM 655 CA ILE A 47 1.535 6.929 3.347 1.00 0.00 C ATOM 656 C ILE A 47 2.107 7.507 4.637 1.00 0.00 C ATOM 657 O ILE A 47 2.757 8.553 4.626 1.00 0.00 O ATOM 658 CB ILE A 47 0.035 7.269 3.268 1.00 0.00 C ATOM 659 CG1 ILE A 47 -0.546 6.805 1.930 1.00 0.00 C ATOM 660 CG2 ILE A 47 -0.181 8.763 3.454 1.00 0.00 C ATOM 661 CD1 ILE A 47 -2.030 6.519 1.982 1.00 0.00 C ATOM 0 H ILE A 47 0.912 4.927 3.332 1.00 0.00 H new ATOM 0 HA ILE A 47 2.046 7.374 2.493 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.483 6.744 4.070 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.358 7.570 1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.022 5.905 1.608 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.246 8.987 3.395 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.201 9.067 4.429 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.348 9.307 2.671 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.373 6.195 0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.224 5.732 2.711 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.565 7.423 2.273 1.00 0.00 H new ATOM 673 N HIS A 48 1.863 6.819 5.747 1.00 0.00 N ATOM 674 CA HIS A 48 2.357 7.262 7.046 1.00 0.00 C ATOM 675 C HIS A 48 3.883 7.264 7.076 1.00 0.00 C ATOM 676 O HIS A 48 4.503 8.226 7.529 1.00 0.00 O ATOM 677 CB HIS A 48 1.815 6.361 8.156 1.00 0.00 C ATOM 678 CG HIS A 48 2.322 6.720 9.519 1.00 0.00 C ATOM 679 ND1 HIS A 48 3.657 6.675 9.862 1.00 0.00 N ATOM 680 CD2 HIS A 48 1.664 7.132 10.628 1.00 0.00 C ATOM 681 CE1 HIS A 48 3.798 7.043 11.123 1.00 0.00 C ATOM 682 NE2 HIS A 48 2.604 7.326 11.611 1.00 0.00 N ATOM 0 H HIS A 48 1.326 5.952 5.773 1.00 0.00 H new ATOM 0 HA HIS A 48 2.007 8.281 7.212 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.726 6.414 8.157 1.00 0.00 H new ATOM 0 HB3 HIS A 48 2.084 5.327 7.938 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.598 7.281 10.722 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.731 7.102 11.663 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.411 7.638 12.563 1.00 0.00 H new ATOM 691 N ARG A 49 4.480 6.180 6.591 1.00 0.00 N ATOM 692 CA ARG A 49 5.933 6.056 6.564 1.00 0.00 C ATOM 693 C ARG A 49 6.588 7.405 6.282 1.00 0.00 C ATOM 694 O ARG A 49 7.445 7.861 7.039 1.00 0.00 O ATOM 695 CB ARG A 49 6.359 5.038 5.505 1.00 0.00 C ATOM 696 CG ARG A 49 7.863 4.970 5.296 1.00 0.00 C ATOM 697 CD ARG A 49 8.545 4.190 6.409 1.00 0.00 C ATOM 698 NE ARG A 49 9.998 4.326 6.362 1.00 0.00 N ATOM 699 CZ ARG A 49 10.814 3.814 7.277 1.00 0.00 C ATOM 700 NH1 ARG A 49 10.322 3.135 8.304 1.00 0.00 N ATOM 701 NH2 ARG A 49 12.126 3.981 7.165 1.00 0.00 N ATOM 0 H ARG A 49 3.981 5.376 6.212 1.00 0.00 H new ATOM 0 HA ARG A 49 6.262 5.710 7.544 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.996 4.052 5.794 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.880 5.289 4.559 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.077 4.500 4.336 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.272 5.980 5.254 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.179 4.541 7.374 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.277 3.136 6.330 1.00 0.00 H new ATOM 0 HE ARG A 49 10.409 4.842 5.584 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.314 3.004 8.393 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.951 2.743 9.005 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.508 4.503 6.376 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.752 3.588 7.868 1.00 0.00 H new ATOM 715 N TYR A 50 6.180 8.038 5.188 1.00 0.00 N ATOM 716 CA TYR A 50 6.730 9.333 4.804 1.00 0.00 C ATOM 717 C TYR A 50 5.974 10.469 5.487 1.00 0.00 C ATOM 718 O TYR A 50 6.577 11.345 6.107 1.00 0.00 O ATOM 719 CB TYR A 50 6.670 9.506 3.285 1.00 0.00 C ATOM 720 CG TYR A 50 7.610 8.590 2.534 1.00 0.00 C ATOM 721 CD1 TYR A 50 7.446 7.211 2.572 1.00 0.00 C ATOM 722 CD2 TYR A 50 8.663 9.104 1.787 1.00 0.00 C ATOM 723 CE1 TYR A 50 8.302 6.370 1.888 1.00 0.00 C ATOM 724 CE2 TYR A 50 9.524 8.271 1.099 1.00 0.00 C ATOM 725 CZ TYR A 50 9.339 6.905 1.153 1.00 0.00 C ATOM 726 OH TYR A 50 10.195 6.072 0.469 1.00 0.00 O ATOM 0 H TYR A 50 5.470 7.676 4.551 1.00 0.00 H new ATOM 0 HA TYR A 50 7.771 9.368 5.126 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.650 9.323 2.947 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.908 10.540 3.036 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.635 6.789 3.147 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.811 10.173 1.744 1.00 0.00 H new ATOM 0 HE1 TYR A 50 8.160 5.300 1.929 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.337 8.687 0.522 1.00 0.00 H new ATOM 0 HH TYR A 50 10.208 6.322 -0.478 1.00 0.00 H new ATOM 736 N ARG A 51 4.651 10.447 5.367 1.00 0.00 N ATOM 737 CA ARG A 51 3.812 11.475 5.971 1.00 0.00 C ATOM 738 C ARG A 51 2.780 10.853 6.908 1.00 0.00 C ATOM 739 O ARG A 51 1.725 10.381 6.483 1.00 0.00 O ATOM 740 CB ARG A 51 3.106 12.290 4.886 1.00 0.00 C ATOM 741 CG ARG A 51 4.059 13.060 3.987 1.00 0.00 C ATOM 742 CD ARG A 51 3.393 14.294 3.397 1.00 0.00 C ATOM 743 NE ARG A 51 4.231 14.940 2.391 1.00 0.00 N ATOM 744 CZ ARG A 51 4.414 14.457 1.167 1.00 0.00 C ATOM 745 NH1 ARG A 51 3.821 13.330 0.799 1.00 0.00 N ATOM 746 NH2 ARG A 51 5.192 15.103 0.307 1.00 0.00 N ATOM 0 H ARG A 51 4.137 9.729 4.857 1.00 0.00 H new ATOM 0 HA ARG A 51 4.454 12.137 6.553 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.504 11.619 4.273 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.419 12.992 5.359 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.939 13.358 4.557 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.405 12.412 3.182 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.440 14.012 2.949 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.172 15.003 4.195 1.00 0.00 H new ATOM 0 HE ARG A 51 4.702 15.810 2.642 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.222 12.831 1.456 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.964 12.962 -0.142 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.650 15.971 0.586 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.332 14.732 -0.633 1.00 0.00 H new ATOM 760 N PRO A 52 3.090 10.851 8.213 1.00 0.00 N ATOM 761 CA PRO A 52 2.202 10.290 9.236 1.00 0.00 C ATOM 762 C PRO A 52 0.945 11.129 9.435 1.00 0.00 C ATOM 763 O PRO A 52 -0.022 10.679 10.052 1.00 0.00 O ATOM 764 CB PRO A 52 3.064 10.309 10.501 1.00 0.00 C ATOM 765 CG PRO A 52 4.055 11.396 10.268 1.00 0.00 C ATOM 766 CD PRO A 52 4.330 11.397 8.790 1.00 0.00 C ATOM 0 HA PRO A 52 1.841 9.298 8.964 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.461 10.506 11.388 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.558 9.350 10.658 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.661 12.359 10.592 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.969 11.219 10.835 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.537 12.401 8.420 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.194 10.781 8.541 1.00 0.00 H new ATOM 774 N ASP A 53 0.963 12.349 8.910 1.00 0.00 N ATOM 775 CA ASP A 53 -0.177 13.250 9.029 1.00 0.00 C ATOM 776 C ASP A 53 -1.320 12.802 8.124 1.00 0.00 C ATOM 777 O ASP A 53 -2.424 12.520 8.594 1.00 0.00 O ATOM 778 CB ASP A 53 0.237 14.680 8.678 1.00 0.00 C ATOM 779 CG ASP A 53 0.883 15.399 9.847 1.00 0.00 C ATOM 780 OD1 ASP A 53 0.293 15.392 10.947 1.00 0.00 O ATOM 781 OD2 ASP A 53 1.979 15.968 9.660 1.00 0.00 O ATOM 0 H ASP A 53 1.755 12.737 8.398 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.523 13.224 10.062 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.933 14.658 7.839 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.640 15.239 8.351 1.00 0.00 H new ATOM 786 N LEU A 54 -1.051 12.740 6.825 1.00 0.00 N ATOM 787 CA LEU A 54 -2.057 12.328 5.854 1.00 0.00 C ATOM 788 C LEU A 54 -2.921 11.200 6.410 1.00 0.00 C ATOM 789 O LEU A 54 -4.149 11.293 6.420 1.00 0.00 O ATOM 790 CB LEU A 54 -1.386 11.878 4.554 1.00 0.00 C ATOM 791 CG LEU A 54 -0.289 12.796 4.013 1.00 0.00 C ATOM 792 CD1 LEU A 54 0.180 12.319 2.648 1.00 0.00 C ATOM 793 CD2 LEU A 54 -0.785 14.233 3.937 1.00 0.00 C ATOM 0 H LEU A 54 -0.144 12.970 6.420 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.699 13.185 5.647 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.958 10.888 4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.155 11.774 3.789 1.00 0.00 H new ATOM 0 HG LEU A 54 0.558 12.761 4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.961 12.984 2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.576 11.307 2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.660 12.324 1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.009 14.872 3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.649 14.285 3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.071 14.572 4.933 1.00 0.00 H new ATOM 805 N ILE A 55 -2.271 10.137 6.873 1.00 0.00 N ATOM 806 CA ILE A 55 -2.980 8.994 7.434 1.00 0.00 C ATOM 807 C ILE A 55 -2.511 8.700 8.855 1.00 0.00 C ATOM 808 O ILE A 55 -1.313 8.698 9.137 1.00 0.00 O ATOM 809 CB ILE A 55 -2.786 7.733 6.570 1.00 0.00 C ATOM 810 CG1 ILE A 55 -3.941 6.754 6.792 1.00 0.00 C ATOM 811 CG2 ILE A 55 -1.455 7.071 6.891 1.00 0.00 C ATOM 812 CD1 ILE A 55 -4.228 5.877 5.594 1.00 0.00 C ATOM 0 H ILE A 55 -1.255 10.044 6.871 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.038 9.255 7.450 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.780 8.027 5.520 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.710 6.121 7.649 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.840 7.316 7.044 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.332 6.182 6.273 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.643 7.769 6.688 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.434 6.787 7.943 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.058 5.209 5.823 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.490 6.502 4.740 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.343 5.288 5.354 1.00 0.00 H new ATOM 824 N ASP A 56 -3.464 8.450 9.746 1.00 0.00 N ATOM 825 CA ASP A 56 -3.150 8.151 11.138 1.00 0.00 C ATOM 826 C ASP A 56 -3.249 6.653 11.408 1.00 0.00 C ATOM 827 O ASP A 56 -4.323 6.136 11.713 1.00 0.00 O ATOM 828 CB ASP A 56 -4.093 8.913 12.071 1.00 0.00 C ATOM 829 CG ASP A 56 -3.446 9.248 13.400 1.00 0.00 C ATOM 830 OD1 ASP A 56 -3.421 8.368 14.286 1.00 0.00 O ATOM 831 OD2 ASP A 56 -2.965 10.391 13.556 1.00 0.00 O ATOM 0 H ASP A 56 -4.461 8.448 9.529 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.125 8.470 11.330 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.415 9.834 11.585 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.988 8.315 12.246 1.00 0.00 H new ATOM 836 N PHE A 57 -2.120 5.961 11.293 1.00 0.00 N ATOM 837 CA PHE A 57 -2.079 4.521 11.523 1.00 0.00 C ATOM 838 C PHE A 57 -2.411 4.193 12.976 1.00 0.00 C ATOM 839 O PHE A 57 -3.307 3.396 13.254 1.00 0.00 O ATOM 840 CB PHE A 57 -0.700 3.965 11.164 1.00 0.00 C ATOM 841 CG PHE A 57 -0.642 2.464 11.156 1.00 0.00 C ATOM 842 CD1 PHE A 57 -1.032 1.749 10.036 1.00 0.00 C ATOM 843 CD2 PHE A 57 -0.199 1.769 12.270 1.00 0.00 C ATOM 844 CE1 PHE A 57 -0.980 0.367 10.025 1.00 0.00 C ATOM 845 CE2 PHE A 57 -0.144 0.388 12.265 1.00 0.00 C ATOM 846 CZ PHE A 57 -0.536 -0.314 11.141 1.00 0.00 C ATOM 0 H PHE A 57 -1.222 6.374 11.042 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.828 4.054 10.884 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.412 4.337 10.181 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.033 4.345 11.876 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.381 2.277 9.161 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.107 2.312 13.152 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.286 -0.179 9.145 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.205 -0.142 13.139 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.495 -1.393 11.136 1.00 0.00 H new ATOM 856 N ASP A 58 -1.681 4.811 13.897 1.00 0.00 N ATOM 857 CA ASP A 58 -1.897 4.586 15.322 1.00 0.00 C ATOM 858 C ASP A 58 -3.387 4.568 15.649 1.00 0.00 C ATOM 859 O ASP A 58 -3.826 3.849 16.546 1.00 0.00 O ATOM 860 CB ASP A 58 -1.194 5.668 16.143 1.00 0.00 C ATOM 861 CG ASP A 58 -1.447 5.521 17.630 1.00 0.00 C ATOM 862 OD1 ASP A 58 -2.620 5.334 18.018 1.00 0.00 O ATOM 863 OD2 ASP A 58 -0.472 5.594 18.408 1.00 0.00 O ATOM 0 H ASP A 58 -0.934 5.472 13.683 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.475 3.615 15.580 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.121 5.624 15.954 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.536 6.649 15.814 1.00 0.00 H new ATOM 868 N SER A 59 -4.158 5.366 14.917 1.00 0.00 N ATOM 869 CA SER A 59 -5.598 5.445 15.133 1.00 0.00 C ATOM 870 C SER A 59 -6.308 4.250 14.505 1.00 0.00 C ATOM 871 O SER A 59 -7.157 3.616 15.135 1.00 0.00 O ATOM 872 CB SER A 59 -6.151 6.746 14.549 1.00 0.00 C ATOM 873 OG SER A 59 -6.087 7.798 15.497 1.00 0.00 O ATOM 0 H SER A 59 -3.810 5.967 14.170 1.00 0.00 H new ATOM 0 HA SER A 59 -5.781 5.430 16.207 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.584 7.019 13.659 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.184 6.597 14.235 1.00 0.00 H new ATOM 0 HG SER A 59 -5.246 8.288 15.385 1.00 0.00 H new ATOM 879 N LEU A 60 -5.956 3.948 13.261 1.00 0.00 N ATOM 880 CA LEU A 60 -6.559 2.828 12.545 1.00 0.00 C ATOM 881 C LEU A 60 -6.457 1.543 13.360 1.00 0.00 C ATOM 882 O LEU A 60 -5.547 1.383 14.173 1.00 0.00 O ATOM 883 CB LEU A 60 -5.881 2.641 11.187 1.00 0.00 C ATOM 884 CG LEU A 60 -6.178 3.710 10.135 1.00 0.00 C ATOM 885 CD1 LEU A 60 -5.234 3.570 8.951 1.00 0.00 C ATOM 886 CD2 LEU A 60 -7.627 3.619 9.677 1.00 0.00 C ATOM 0 H LEU A 60 -5.256 4.462 12.726 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.614 3.054 12.389 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.803 2.604 11.344 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.178 1.672 10.785 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.020 4.690 10.586 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.460 4.339 8.212 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.205 3.685 9.291 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.360 2.586 8.500 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.821 4.387 8.928 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.811 2.636 9.244 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.288 3.769 10.530 1.00 0.00 H new ATOM 898 N ASP A 61 -7.394 0.629 13.134 1.00 0.00 N ATOM 899 CA ASP A 61 -7.408 -0.644 13.845 1.00 0.00 C ATOM 900 C ASP A 61 -7.459 -1.812 12.865 1.00 0.00 C ATOM 901 O ASP A 61 -8.298 -1.844 11.965 1.00 0.00 O ATOM 902 CB ASP A 61 -8.603 -0.708 14.797 1.00 0.00 C ATOM 903 CG ASP A 61 -8.414 -1.737 15.895 1.00 0.00 C ATOM 904 OD1 ASP A 61 -7.261 -2.165 16.115 1.00 0.00 O ATOM 905 OD2 ASP A 61 -9.418 -2.114 16.533 1.00 0.00 O ATOM 0 H ASP A 61 -8.154 0.746 12.464 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.488 -0.719 14.425 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.760 0.273 15.245 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.503 -0.947 14.230 1.00 0.00 H new ATOM 910 N GLU A 62 -6.555 -2.770 13.046 1.00 0.00 N ATOM 911 CA GLU A 62 -6.497 -3.939 12.176 1.00 0.00 C ATOM 912 C GLU A 62 -7.898 -4.465 11.877 1.00 0.00 C ATOM 913 O GLU A 62 -8.181 -4.905 10.763 1.00 0.00 O ATOM 914 CB GLU A 62 -5.653 -5.041 12.821 1.00 0.00 C ATOM 915 CG GLU A 62 -6.273 -5.623 14.081 1.00 0.00 C ATOM 916 CD GLU A 62 -6.362 -4.613 15.208 1.00 0.00 C ATOM 917 OE1 GLU A 62 -5.448 -3.768 15.320 1.00 0.00 O ATOM 918 OE2 GLU A 62 -7.343 -4.666 15.978 1.00 0.00 O ATOM 0 H GLU A 62 -5.854 -2.760 13.786 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.033 -3.638 11.237 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.502 -5.842 12.097 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.669 -4.639 13.062 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.272 -5.995 13.852 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.683 -6.478 14.410 1.00 0.00 H new ATOM 925 N GLN A 63 -8.768 -4.416 12.880 1.00 0.00 N ATOM 926 CA GLN A 63 -10.139 -4.889 12.725 1.00 0.00 C ATOM 927 C GLN A 63 -10.876 -4.082 11.661 1.00 0.00 C ATOM 928 O GLN A 63 -11.598 -4.639 10.836 1.00 0.00 O ATOM 929 CB GLN A 63 -10.885 -4.800 14.057 1.00 0.00 C ATOM 930 CG GLN A 63 -11.241 -3.378 14.462 1.00 0.00 C ATOM 931 CD GLN A 63 -11.827 -3.298 15.858 1.00 0.00 C ATOM 932 OE1 GLN A 63 -11.807 -4.273 16.609 1.00 0.00 O ATOM 933 NE2 GLN A 63 -12.354 -2.132 16.212 1.00 0.00 N ATOM 0 H GLN A 63 -8.549 -4.054 13.808 1.00 0.00 H new ATOM 0 HA GLN A 63 -10.104 -5.930 12.405 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -11.799 -5.390 13.992 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.271 -5.248 14.838 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -10.348 -2.755 14.411 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -11.956 -2.969 13.748 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -12.349 -1.350 15.557 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.764 -2.018 17.139 1.00 0.00 H new ATOM 942 N ASN A 64 -10.688 -2.767 11.687 1.00 0.00 N ATOM 943 CA ASN A 64 -11.336 -1.883 10.725 1.00 0.00 C ATOM 944 C ASN A 64 -10.710 -2.032 9.342 1.00 0.00 C ATOM 945 O ASN A 64 -10.023 -1.132 8.859 1.00 0.00 O ATOM 946 CB ASN A 64 -11.234 -0.428 11.188 1.00 0.00 C ATOM 947 CG ASN A 64 -11.668 -0.249 12.631 1.00 0.00 C ATOM 948 OD1 ASN A 64 -12.542 -0.965 13.121 1.00 0.00 O ATOM 949 ND2 ASN A 64 -11.057 0.709 13.317 1.00 0.00 N ATOM 0 H ASN A 64 -10.092 -2.290 12.364 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.387 -2.165 10.662 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.206 -0.085 11.075 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.851 0.199 10.545 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.306 0.876 14.292 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.338 1.278 12.869 1.00 0.00 H new ATOM 956 N VAL A 65 -10.952 -3.175 8.708 1.00 0.00 N ATOM 957 CA VAL A 65 -10.414 -3.443 7.380 1.00 0.00 C ATOM 958 C VAL A 65 -10.794 -2.338 6.401 1.00 0.00 C ATOM 959 O VAL A 65 -9.965 -1.503 6.039 1.00 0.00 O ATOM 960 CB VAL A 65 -10.914 -4.793 6.833 1.00 0.00 C ATOM 961 CG1 VAL A 65 -10.333 -5.058 5.453 1.00 0.00 C ATOM 962 CG2 VAL A 65 -10.563 -5.919 7.794 1.00 0.00 C ATOM 0 H VAL A 65 -11.518 -3.931 9.094 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.329 -3.480 7.479 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.999 -4.749 6.741 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.697 -6.016 5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.639 -4.265 4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.245 -5.083 5.515 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.924 -6.866 7.392 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.481 -5.966 7.919 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -11.032 -5.733 8.760 1.00 0.00 H new ATOM 972 N GLU A 66 -12.054 -2.339 5.975 1.00 0.00 N ATOM 973 CA GLU A 66 -12.543 -1.337 5.036 1.00 0.00 C ATOM 974 C GLU A 66 -11.966 0.039 5.359 1.00 0.00 C ATOM 975 O GLU A 66 -11.311 0.662 4.523 1.00 0.00 O ATOM 976 CB GLU A 66 -14.072 -1.280 5.068 1.00 0.00 C ATOM 977 CG GLU A 66 -14.736 -2.627 4.839 1.00 0.00 C ATOM 978 CD GLU A 66 -14.981 -3.384 6.130 1.00 0.00 C ATOM 979 OE1 GLU A 66 -15.890 -2.984 6.888 1.00 0.00 O ATOM 980 OE2 GLU A 66 -14.264 -4.375 6.383 1.00 0.00 O ATOM 0 H GLU A 66 -12.753 -3.022 6.265 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.217 -1.623 4.036 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.392 -0.886 6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.417 -0.580 4.307 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.685 -2.477 4.324 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.109 -3.230 4.182 1.00 0.00 H new ATOM 987 N LYS A 67 -12.214 0.507 6.578 1.00 0.00 N ATOM 988 CA LYS A 67 -11.719 1.807 7.013 1.00 0.00 C ATOM 989 C LYS A 67 -10.292 2.038 6.526 1.00 0.00 C ATOM 990 O LYS A 67 -10.036 2.943 5.734 1.00 0.00 O ATOM 991 CB LYS A 67 -11.772 1.910 8.539 1.00 0.00 C ATOM 992 CG LYS A 67 -11.297 3.250 9.075 1.00 0.00 C ATOM 993 CD LYS A 67 -12.009 3.618 10.366 1.00 0.00 C ATOM 994 CE LYS A 67 -11.612 5.006 10.845 1.00 0.00 C ATOM 995 NZ LYS A 67 -12.298 5.372 12.116 1.00 0.00 N ATOM 0 H LYS A 67 -12.755 0.005 7.282 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.360 2.575 6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.796 1.738 8.871 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.159 1.118 8.970 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.222 3.213 9.249 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.472 4.024 8.328 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.087 3.580 10.212 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.771 2.884 11.136 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.532 5.045 10.991 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.856 5.739 10.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.001 6.325 12.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.328 5.360 11.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.045 4.687 12.857 1.00 0.00 H new ATOM 1009 N ASN A 68 -9.368 1.212 7.006 1.00 0.00 N ATOM 1010 CA ASN A 68 -7.966 1.325 6.618 1.00 0.00 C ATOM 1011 C ASN A 68 -7.836 1.589 5.121 1.00 0.00 C ATOM 1012 O ASN A 68 -6.880 2.221 4.672 1.00 0.00 O ATOM 1013 CB ASN A 68 -7.207 0.050 6.991 1.00 0.00 C ATOM 1014 CG ASN A 68 -6.708 0.073 8.423 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -5.507 0.175 8.671 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -7.631 -0.024 9.372 1.00 0.00 N ATOM 0 H ASN A 68 -9.564 0.458 7.664 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.532 2.168 7.157 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.859 -0.812 6.850 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.361 -0.076 6.316 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.356 -0.016 10.354 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.616 -0.107 9.119 1.00 0.00 H new ATOM 1023 N ASN A 69 -8.804 1.100 4.353 1.00 0.00 N ATOM 1024 CA ASN A 69 -8.798 1.283 2.906 1.00 0.00 C ATOM 1025 C ASN A 69 -9.533 2.561 2.516 1.00 0.00 C ATOM 1026 O ASN A 69 -8.927 3.508 2.015 1.00 0.00 O ATOM 1027 CB ASN A 69 -9.444 0.079 2.216 1.00 0.00 C ATOM 1028 CG ASN A 69 -8.583 -1.167 2.303 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -7.502 -1.230 1.718 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -9.062 -2.166 3.035 1.00 0.00 N ATOM 0 H ASN A 69 -9.602 0.574 4.708 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.761 1.367 2.580 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -10.414 -0.120 2.671 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.627 0.319 1.169 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.529 -3.030 3.130 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.963 -2.069 3.502 1.00 0.00 H new ATOM 1037 N GLN A 70 -10.842 2.580 2.749 1.00 0.00 N ATOM 1038 CA GLN A 70 -11.659 3.742 2.422 1.00 0.00 C ATOM 1039 C GLN A 70 -10.906 5.036 2.711 1.00 0.00 C ATOM 1040 O GLN A 70 -10.998 6.003 1.953 1.00 0.00 O ATOM 1041 CB GLN A 70 -12.967 3.711 3.214 1.00 0.00 C ATOM 1042 CG GLN A 70 -14.030 4.651 2.670 1.00 0.00 C ATOM 1043 CD GLN A 70 -14.413 4.333 1.238 1.00 0.00 C ATOM 1044 OE1 GLN A 70 -15.016 3.295 0.960 1.00 0.00 O ATOM 1045 NE2 GLN A 70 -14.065 5.226 0.319 1.00 0.00 N ATOM 0 H GLN A 70 -11.359 1.804 3.163 1.00 0.00 H new ATOM 0 HA GLN A 70 -11.887 3.706 1.357 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.359 2.694 3.213 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.760 3.972 4.252 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -14.917 4.594 3.301 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.665 5.677 2.725 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.566 6.072 0.593 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.296 5.066 -0.661 1.00 0.00 H new ATOM 1054 N LEU A 71 -10.161 5.048 3.811 1.00 0.00 N ATOM 1055 CA LEU A 71 -9.392 6.224 4.201 1.00 0.00 C ATOM 1056 C LEU A 71 -8.289 6.515 3.187 1.00 0.00 C ATOM 1057 O LEU A 71 -8.328 7.525 2.485 1.00 0.00 O ATOM 1058 CB LEU A 71 -8.783 6.022 5.589 1.00 0.00 C ATOM 1059 CG LEU A 71 -8.111 7.247 6.213 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -9.056 8.438 6.199 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -7.656 6.941 7.632 1.00 0.00 C ATOM 0 H LEU A 71 -10.073 4.256 4.448 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.069 7.077 4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.569 5.681 6.263 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.047 5.221 5.528 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.233 7.499 5.618 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.561 9.300 6.647 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.332 8.671 5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.953 8.198 6.770 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.180 7.824 8.060 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.518 6.663 8.239 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.943 6.117 7.616 1.00 0.00 H new ATOM 1073 N ALA A 72 -7.309 5.621 3.115 1.00 0.00 N ATOM 1074 CA ALA A 72 -6.198 5.778 2.184 1.00 0.00 C ATOM 1075 C ALA A 72 -6.699 6.120 0.784 1.00 0.00 C ATOM 1076 O ALA A 72 -6.208 7.053 0.149 1.00 0.00 O ATOM 1077 CB ALA A 72 -5.354 4.513 2.151 1.00 0.00 C ATOM 0 H ALA A 72 -7.261 4.780 3.690 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.579 6.605 2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.528 4.645 1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.958 4.314 3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.970 3.673 1.831 1.00 0.00 H new ATOM 1083 N PHE A 73 -7.679 5.357 0.309 1.00 0.00 N ATOM 1084 CA PHE A 73 -8.245 5.578 -1.016 1.00 0.00 C ATOM 1085 C PHE A 73 -8.660 7.035 -1.194 1.00 0.00 C ATOM 1086 O PHE A 73 -8.683 7.553 -2.311 1.00 0.00 O ATOM 1087 CB PHE A 73 -9.450 4.661 -1.238 1.00 0.00 C ATOM 1088 CG PHE A 73 -9.073 3.251 -1.594 1.00 0.00 C ATOM 1089 CD1 PHE A 73 -8.106 3.000 -2.553 1.00 0.00 C ATOM 1090 CD2 PHE A 73 -9.686 2.178 -0.968 1.00 0.00 C ATOM 1091 CE1 PHE A 73 -7.758 1.703 -2.883 1.00 0.00 C ATOM 1092 CE2 PHE A 73 -9.342 0.879 -1.293 1.00 0.00 C ATOM 1093 CZ PHE A 73 -8.376 0.642 -2.251 1.00 0.00 C ATOM 0 H PHE A 73 -8.097 4.581 0.822 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.479 5.345 -1.755 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.058 4.649 -0.334 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.070 5.075 -2.034 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.618 3.826 -3.049 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.441 2.358 -0.217 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.004 1.520 -3.634 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.828 0.051 -0.798 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.104 -0.372 -2.506 1.00 0.00 H new ATOM 1103 N ASP A 74 -8.988 7.690 -0.086 1.00 0.00 N ATOM 1104 CA ASP A 74 -9.402 9.088 -0.119 1.00 0.00 C ATOM 1105 C ASP A 74 -8.212 10.013 0.112 1.00 0.00 C ATOM 1106 O ASP A 74 -7.883 10.841 -0.738 1.00 0.00 O ATOM 1107 CB ASP A 74 -10.478 9.348 0.937 1.00 0.00 C ATOM 1108 CG ASP A 74 -11.410 10.479 0.549 1.00 0.00 C ATOM 1109 OD1 ASP A 74 -10.919 11.495 0.012 1.00 0.00 O ATOM 1110 OD2 ASP A 74 -12.630 10.348 0.780 1.00 0.00 O ATOM 0 H ASP A 74 -8.975 7.276 0.846 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.814 9.296 -1.106 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.059 8.439 1.090 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.000 9.585 1.888 1.00 0.00 H new ATOM 1115 N ILE A 75 -7.571 9.868 1.267 1.00 0.00 N ATOM 1116 CA ILE A 75 -6.417 10.690 1.608 1.00 0.00 C ATOM 1117 C ILE A 75 -5.409 10.726 0.465 1.00 0.00 C ATOM 1118 O ILE A 75 -4.950 11.794 0.062 1.00 0.00 O ATOM 1119 CB ILE A 75 -5.716 10.177 2.880 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -6.702 10.132 4.049 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -4.523 11.057 3.219 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -7.203 11.495 4.469 1.00 0.00 C ATOM 0 H ILE A 75 -7.831 9.189 1.982 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.791 11.697 1.790 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.355 9.165 2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.553 9.510 3.772 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.221 9.652 4.901 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.038 10.681 4.120 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.813 11.042 2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.861 12.079 3.388 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.898 11.387 5.302 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.360 12.113 4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.713 11.969 3.631 1.00 0.00 H new ATOM 1134 N ALA A 76 -5.071 9.551 -0.055 1.00 0.00 N ATOM 1135 CA ALA A 76 -4.121 9.447 -1.156 1.00 0.00 C ATOM 1136 C ALA A 76 -4.499 10.385 -2.298 1.00 0.00 C ATOM 1137 O ALA A 76 -3.796 11.357 -2.573 1.00 0.00 O ATOM 1138 CB ALA A 76 -4.043 8.011 -1.653 1.00 0.00 C ATOM 0 H ALA A 76 -5.441 8.657 0.268 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.140 9.745 -0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.330 7.949 -2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.717 7.362 -0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.026 7.692 -2.000 1.00 0.00 H new ATOM 1144 N GLU A 77 -5.612 10.085 -2.959 1.00 0.00 N ATOM 1145 CA GLU A 77 -6.082 10.901 -4.073 1.00 0.00 C ATOM 1146 C GLU A 77 -6.199 12.366 -3.662 1.00 0.00 C ATOM 1147 O GLU A 77 -5.892 13.268 -4.442 1.00 0.00 O ATOM 1148 CB GLU A 77 -7.435 10.390 -4.573 1.00 0.00 C ATOM 1149 CG GLU A 77 -7.871 11.014 -5.888 1.00 0.00 C ATOM 1150 CD GLU A 77 -9.376 10.992 -6.073 1.00 0.00 C ATOM 1151 OE1 GLU A 77 -10.058 11.863 -5.494 1.00 0.00 O ATOM 1152 OE2 GLU A 77 -9.872 10.103 -6.796 1.00 0.00 O ATOM 0 H GLU A 77 -6.205 9.284 -2.743 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.353 10.825 -4.880 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.384 9.308 -4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.193 10.591 -3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.518 12.044 -5.932 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.399 10.480 -6.713 1.00 0.00 H new ATOM 1159 N LYS A 78 -6.646 12.595 -2.432 1.00 0.00 N ATOM 1160 CA LYS A 78 -6.804 13.950 -1.915 1.00 0.00 C ATOM 1161 C LYS A 78 -5.494 14.725 -2.012 1.00 0.00 C ATOM 1162 O LYS A 78 -5.471 15.866 -2.472 1.00 0.00 O ATOM 1163 CB LYS A 78 -7.280 13.910 -0.461 1.00 0.00 C ATOM 1164 CG LYS A 78 -8.792 13.905 -0.316 1.00 0.00 C ATOM 1165 CD LYS A 78 -9.377 15.291 -0.528 1.00 0.00 C ATOM 1166 CE LYS A 78 -10.874 15.230 -0.790 1.00 0.00 C ATOM 1167 NZ LYS A 78 -11.509 16.574 -0.696 1.00 0.00 N ATOM 0 H LYS A 78 -6.905 11.860 -1.774 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.552 14.460 -2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.874 13.021 0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.875 14.772 0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.225 13.212 -1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.062 13.543 0.676 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.185 15.906 0.351 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.879 15.773 -1.369 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.052 14.813 -1.781 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.341 14.557 -0.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.529 16.490 -0.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.361 16.962 0.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.081 17.210 -1.399 1.00 0.00 H new ATOM 1181 N GLU A 79 -4.407 14.098 -1.576 1.00 0.00 N ATOM 1182 CA GLU A 79 -3.093 14.730 -1.614 1.00 0.00 C ATOM 1183 C GLU A 79 -2.217 14.099 -2.693 1.00 0.00 C ATOM 1184 O GLU A 79 -1.884 14.739 -3.691 1.00 0.00 O ATOM 1185 CB GLU A 79 -2.407 14.615 -0.252 1.00 0.00 C ATOM 1186 CG GLU A 79 -3.197 15.244 0.883 1.00 0.00 C ATOM 1187 CD GLU A 79 -2.885 16.716 1.066 1.00 0.00 C ATOM 1188 OE1 GLU A 79 -1.697 17.050 1.262 1.00 0.00 O ATOM 1189 OE2 GLU A 79 -3.827 17.534 1.013 1.00 0.00 O ATOM 0 H GLU A 79 -4.410 13.153 -1.192 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.232 15.784 -1.854 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.240 13.562 -0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.427 15.089 -0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.263 15.124 0.689 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.980 14.713 1.810 1.00 0.00 H new ATOM 1196 N LEU A 80 -1.847 12.841 -2.484 1.00 0.00 N ATOM 1197 CA LEU A 80 -1.008 12.122 -3.438 1.00 0.00 C ATOM 1198 C LEU A 80 -1.532 12.293 -4.860 1.00 0.00 C ATOM 1199 O LEU A 80 -0.757 12.442 -5.804 1.00 0.00 O ATOM 1200 CB LEU A 80 -0.952 10.636 -3.078 1.00 0.00 C ATOM 1201 CG LEU A 80 -0.548 10.309 -1.640 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -0.525 8.804 -1.422 1.00 0.00 C ATOM 1203 CD2 LEU A 80 0.808 10.917 -1.315 1.00 0.00 C ATOM 0 H LEU A 80 -2.114 12.297 -1.663 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.003 12.540 -3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.933 10.200 -3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.250 10.146 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.288 10.742 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.235 8.590 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.517 8.394 -1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.194 8.349 -2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.079 10.674 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.560 10.514 -1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.758 12.000 -1.431 1.00 0.00 H new ATOM 1215 N GLY A 81 -2.853 12.273 -5.005 1.00 0.00 N ATOM 1216 CA GLY A 81 -3.458 12.429 -6.315 1.00 0.00 C ATOM 1217 C GLY A 81 -3.700 11.101 -7.004 1.00 0.00 C ATOM 1218 O GLY A 81 -4.078 11.061 -8.175 1.00 0.00 O ATOM 0 H GLY A 81 -3.515 12.152 -4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.405 12.960 -6.214 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.812 13.046 -6.939 1.00 0.00 H new ATOM 1222 N ILE A 82 -3.481 10.011 -6.277 1.00 0.00 N ATOM 1223 CA ILE A 82 -3.678 8.675 -6.826 1.00 0.00 C ATOM 1224 C ILE A 82 -5.124 8.220 -6.661 1.00 0.00 C ATOM 1225 O ILE A 82 -5.547 7.842 -5.569 1.00 0.00 O ATOM 1226 CB ILE A 82 -2.749 7.647 -6.152 1.00 0.00 C ATOM 1227 CG1 ILE A 82 -1.287 8.067 -6.313 1.00 0.00 C ATOM 1228 CG2 ILE A 82 -2.977 6.262 -6.740 1.00 0.00 C ATOM 1229 CD1 ILE A 82 -0.320 7.199 -5.537 1.00 0.00 C ATOM 0 H ILE A 82 -3.167 10.026 -5.307 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.436 8.732 -7.887 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.982 7.611 -5.088 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.023 8.036 -7.370 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.176 9.101 -5.987 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.314 5.547 -6.254 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.013 5.964 -6.578 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.768 6.282 -7.810 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.698 7.555 -5.698 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.558 7.249 -4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.402 6.167 -5.879 1.00 0.00 H new ATOM 1241 N SER A 83 -5.879 8.259 -7.755 1.00 0.00 N ATOM 1242 CA SER A 83 -7.279 7.853 -7.732 1.00 0.00 C ATOM 1243 C SER A 83 -7.416 6.397 -7.295 1.00 0.00 C ATOM 1244 O SER A 83 -6.708 5.510 -7.772 1.00 0.00 O ATOM 1245 CB SER A 83 -7.910 8.044 -9.113 1.00 0.00 C ATOM 1246 OG SER A 83 -9.084 7.263 -9.250 1.00 0.00 O ATOM 0 H SER A 83 -5.544 8.568 -8.668 1.00 0.00 H new ATOM 0 HA SER A 83 -7.802 8.481 -7.011 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.150 9.096 -9.264 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.193 7.767 -9.885 1.00 0.00 H new ATOM 0 HG SER A 83 -9.469 7.404 -10.140 1.00 0.00 H new ATOM 1252 N PRO A 84 -8.348 6.145 -6.365 1.00 0.00 N ATOM 1253 CA PRO A 84 -8.601 4.799 -5.842 1.00 0.00 C ATOM 1254 C PRO A 84 -9.248 3.887 -6.879 1.00 0.00 C ATOM 1255 O PRO A 84 -10.148 4.303 -7.610 1.00 0.00 O ATOM 1256 CB PRO A 84 -9.560 5.046 -4.675 1.00 0.00 C ATOM 1257 CG PRO A 84 -10.241 6.328 -5.009 1.00 0.00 C ATOM 1258 CD PRO A 84 -9.228 7.154 -5.752 1.00 0.00 C ATOM 0 HA PRO A 84 -7.679 4.294 -5.554 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.277 4.232 -4.573 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.023 5.118 -3.729 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -11.126 6.152 -5.621 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.575 6.839 -4.106 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.699 7.786 -6.504 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.677 7.813 -5.081 1.00 0.00 H new ATOM 1266 N ILE A 85 -8.786 2.643 -6.936 1.00 0.00 N ATOM 1267 CA ILE A 85 -9.321 1.672 -7.883 1.00 0.00 C ATOM 1268 C ILE A 85 -10.626 1.070 -7.374 1.00 0.00 C ATOM 1269 O ILE A 85 -11.489 0.679 -8.159 1.00 0.00 O ATOM 1270 CB ILE A 85 -8.316 0.536 -8.154 1.00 0.00 C ATOM 1271 CG1 ILE A 85 -7.966 -0.185 -6.851 1.00 0.00 C ATOM 1272 CG2 ILE A 85 -7.061 1.086 -8.815 1.00 0.00 C ATOM 1273 CD1 ILE A 85 -7.037 -1.364 -7.044 1.00 0.00 C ATOM 0 H ILE A 85 -8.042 2.283 -6.338 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.509 2.209 -8.813 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.776 -0.182 -8.833 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.502 0.525 -6.166 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.885 -0.531 -6.378 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.361 0.272 -9.000 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.325 1.559 -9.761 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.597 1.822 -8.158 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.832 -1.827 -6.079 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.507 -2.093 -7.704 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.102 -1.022 -7.488 1.00 0.00 H new ATOM 1285 N MET A 86 -10.764 1.000 -6.054 1.00 0.00 N ATOM 1286 CA MET A 86 -11.966 0.448 -5.439 1.00 0.00 C ATOM 1287 C MET A 86 -12.183 1.035 -4.048 1.00 0.00 C ATOM 1288 O MET A 86 -11.288 1.661 -3.480 1.00 0.00 O ATOM 1289 CB MET A 86 -11.867 -1.076 -5.354 1.00 0.00 C ATOM 1290 CG MET A 86 -11.132 -1.569 -4.118 1.00 0.00 C ATOM 1291 SD MET A 86 -11.171 -3.364 -3.956 1.00 0.00 S ATOM 1292 CE MET A 86 -9.632 -3.809 -4.758 1.00 0.00 C ATOM 0 H MET A 86 -10.059 1.319 -5.390 1.00 0.00 H new ATOM 0 HA MET A 86 -12.819 0.714 -6.063 1.00 0.00 H new ATOM 0 HB2 MET A 86 -12.872 -1.498 -5.362 1.00 0.00 H new ATOM 0 HB3 MET A 86 -11.358 -1.449 -6.243 1.00 0.00 H new ATOM 0 HG2 MET A 86 -10.095 -1.234 -4.159 1.00 0.00 H new ATOM 0 HG3 MET A 86 -11.578 -1.118 -3.231 1.00 0.00 H new ATOM 0 HE1 MET A 86 -9.554 -4.895 -4.818 1.00 0.00 H new ATOM 0 HE2 MET A 86 -9.610 -3.388 -5.763 1.00 0.00 H new ATOM 0 HE3 MET A 86 -8.794 -3.416 -4.182 1.00 0.00 H new ATOM 1302 N THR A 87 -13.378 0.827 -3.503 1.00 0.00 N ATOM 1303 CA THR A 87 -13.714 1.337 -2.179 1.00 0.00 C ATOM 1304 C THR A 87 -13.359 0.325 -1.096 1.00 0.00 C ATOM 1305 O THR A 87 -13.303 -0.877 -1.350 1.00 0.00 O ATOM 1306 CB THR A 87 -15.211 1.683 -2.073 1.00 0.00 C ATOM 1307 OG1 THR A 87 -16.003 0.573 -2.510 1.00 0.00 O ATOM 1308 CG2 THR A 87 -15.543 2.909 -2.909 1.00 0.00 C ATOM 0 H THR A 87 -14.129 0.309 -3.958 1.00 0.00 H new ATOM 0 HA THR A 87 -13.129 2.245 -2.031 1.00 0.00 H new ATOM 0 HB THR A 87 -15.438 1.902 -1.029 1.00 0.00 H new ATOM 0 HG1 THR A 87 -16.953 0.801 -2.438 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.606 3.134 -2.819 1.00 0.00 H new ATOM 0 HG22 THR A 87 -14.960 3.759 -2.555 1.00 0.00 H new ATOM 0 HG23 THR A 87 -15.301 2.713 -3.954 1.00 0.00 H new ATOM 1316 N GLY A 88 -13.123 0.820 0.115 1.00 0.00 N ATOM 1317 CA GLY A 88 -12.777 -0.055 1.220 1.00 0.00 C ATOM 1318 C GLY A 88 -13.703 -1.251 1.323 1.00 0.00 C ATOM 1319 O GLY A 88 -13.248 -2.388 1.456 1.00 0.00 O ATOM 0 H GLY A 88 -13.165 1.811 0.351 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.751 -0.403 1.097 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.812 0.510 2.152 1.00 0.00 H new ATOM 1323 N LYS A 89 -15.005 -0.996 1.264 1.00 0.00 N ATOM 1324 CA LYS A 89 -15.998 -2.060 1.352 1.00 0.00 C ATOM 1325 C LYS A 89 -15.751 -3.124 0.287 1.00 0.00 C ATOM 1326 O LYS A 89 -15.552 -4.297 0.604 1.00 0.00 O ATOM 1327 CB LYS A 89 -17.408 -1.485 1.196 1.00 0.00 C ATOM 1328 CG LYS A 89 -18.471 -2.268 1.945 1.00 0.00 C ATOM 1329 CD LYS A 89 -18.633 -1.767 3.371 1.00 0.00 C ATOM 1330 CE LYS A 89 -19.498 -0.517 3.427 1.00 0.00 C ATOM 1331 NZ LYS A 89 -19.167 0.333 4.604 1.00 0.00 N ATOM 0 H LYS A 89 -15.398 -0.061 1.156 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.909 -2.525 2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -17.412 -0.454 1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.666 -1.460 0.137 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -19.422 -2.186 1.419 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.204 -3.325 1.958 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.081 -2.549 3.984 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -17.653 -1.552 3.796 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -19.362 0.060 2.512 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.549 -0.804 3.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -19.778 1.175 4.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -19.321 -0.209 5.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -18.171 0.628 4.550 1.00 0.00 H new ATOM 1345 N GLU A 90 -15.765 -2.707 -0.975 1.00 0.00 N ATOM 1346 CA GLU A 90 -15.541 -3.625 -2.085 1.00 0.00 C ATOM 1347 C GLU A 90 -14.282 -4.456 -1.858 1.00 0.00 C ATOM 1348 O GLU A 90 -14.229 -5.633 -2.216 1.00 0.00 O ATOM 1349 CB GLU A 90 -15.425 -2.852 -3.400 1.00 0.00 C ATOM 1350 CG GLU A 90 -16.767 -2.459 -3.995 1.00 0.00 C ATOM 1351 CD GLU A 90 -16.668 -2.088 -5.462 1.00 0.00 C ATOM 1352 OE1 GLU A 90 -16.008 -2.830 -6.219 1.00 0.00 O ATOM 1353 OE2 GLU A 90 -17.252 -1.056 -5.853 1.00 0.00 O ATOM 0 H GLU A 90 -15.929 -1.740 -1.254 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.395 -4.300 -2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.834 -1.952 -3.232 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.881 -3.460 -4.123 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -17.468 -3.286 -3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -17.175 -1.616 -3.437 1.00 0.00 H new ATOM 1360 N MET A 91 -13.269 -3.835 -1.262 1.00 0.00 N ATOM 1361 CA MET A 91 -12.010 -4.517 -0.987 1.00 0.00 C ATOM 1362 C MET A 91 -12.205 -5.624 0.044 1.00 0.00 C ATOM 1363 O MET A 91 -11.575 -6.678 -0.037 1.00 0.00 O ATOM 1364 CB MET A 91 -10.963 -3.519 -0.489 1.00 0.00 C ATOM 1365 CG MET A 91 -9.640 -4.165 -0.109 1.00 0.00 C ATOM 1366 SD MET A 91 -8.638 -4.592 -1.546 1.00 0.00 S ATOM 1367 CE MET A 91 -7.473 -3.231 -1.563 1.00 0.00 C ATOM 0 H MET A 91 -13.296 -2.861 -0.960 1.00 0.00 H new ATOM 0 HA MET A 91 -11.659 -4.967 -1.916 1.00 0.00 H new ATOM 0 HB2 MET A 91 -10.785 -2.774 -1.265 1.00 0.00 H new ATOM 0 HB3 MET A 91 -11.361 -2.989 0.376 1.00 0.00 H new ATOM 0 HG2 MET A 91 -9.079 -3.485 0.531 1.00 0.00 H new ATOM 0 HG3 MET A 91 -9.834 -5.065 0.474 1.00 0.00 H new ATOM 0 HE1 MET A 91 -6.889 -3.264 -2.483 1.00 0.00 H new ATOM 0 HE2 MET A 91 -8.016 -2.287 -1.511 1.00 0.00 H new ATOM 0 HE3 MET A 91 -6.805 -3.313 -0.706 1.00 0.00 H new ATOM 1377 N ALA A 92 -13.082 -5.378 1.012 1.00 0.00 N ATOM 1378 CA ALA A 92 -13.361 -6.354 2.057 1.00 0.00 C ATOM 1379 C ALA A 92 -14.261 -7.471 1.539 1.00 0.00 C ATOM 1380 O ALA A 92 -14.082 -8.638 1.887 1.00 0.00 O ATOM 1381 CB ALA A 92 -13.999 -5.674 3.259 1.00 0.00 C ATOM 0 H ALA A 92 -13.612 -4.510 1.094 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.415 -6.799 2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -14.202 -6.416 4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -13.320 -4.917 3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -14.933 -5.201 2.956 1.00 0.00 H new ATOM 1387 N SER A 93 -15.230 -7.105 0.705 1.00 0.00 N ATOM 1388 CA SER A 93 -16.161 -8.075 0.143 1.00 0.00 C ATOM 1389 C SER A 93 -15.449 -9.014 -0.826 1.00 0.00 C ATOM 1390 O SER A 93 -15.535 -10.236 -0.702 1.00 0.00 O ATOM 1391 CB SER A 93 -17.307 -7.358 -0.574 1.00 0.00 C ATOM 1392 OG SER A 93 -18.210 -6.784 0.355 1.00 0.00 O ATOM 0 H SER A 93 -15.390 -6.144 0.404 1.00 0.00 H new ATOM 0 HA SER A 93 -16.568 -8.667 0.963 1.00 0.00 H new ATOM 0 HB2 SER A 93 -16.904 -6.580 -1.223 1.00 0.00 H new ATOM 0 HB3 SER A 93 -17.838 -8.063 -1.214 1.00 0.00 H new ATOM 0 HG SER A 93 -18.932 -6.330 -0.128 1.00 0.00 H new ATOM 1398 N VAL A 94 -14.744 -8.433 -1.792 1.00 0.00 N ATOM 1399 CA VAL A 94 -14.015 -9.216 -2.783 1.00 0.00 C ATOM 1400 C VAL A 94 -13.094 -10.230 -2.113 1.00 0.00 C ATOM 1401 O VAL A 94 -12.486 -9.946 -1.081 1.00 0.00 O ATOM 1402 CB VAL A 94 -13.178 -8.312 -3.707 1.00 0.00 C ATOM 1403 CG1 VAL A 94 -11.970 -7.761 -2.965 1.00 0.00 C ATOM 1404 CG2 VAL A 94 -12.747 -9.076 -4.950 1.00 0.00 C ATOM 0 H VAL A 94 -14.662 -7.423 -1.909 1.00 0.00 H new ATOM 0 HA VAL A 94 -14.759 -9.744 -3.379 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.796 -7.471 -4.020 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.391 -7.125 -3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.305 -7.176 -2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.347 -8.586 -2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -12.156 -8.423 -5.592 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.146 -9.937 -4.658 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -13.629 -9.416 -5.492 1.00 0.00 H new ATOM 1414 N GLY A 95 -12.996 -11.416 -2.707 1.00 0.00 N ATOM 1415 CA GLY A 95 -12.147 -12.454 -2.154 1.00 0.00 C ATOM 1416 C GLY A 95 -10.679 -12.226 -2.457 1.00 0.00 C ATOM 1417 O GLY A 95 -9.808 -12.712 -1.736 1.00 0.00 O ATOM 0 H GLY A 95 -13.490 -11.676 -3.561 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.289 -12.498 -1.074 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.452 -13.420 -2.556 1.00 0.00 H new ATOM 1421 N GLU A 96 -10.405 -11.486 -3.527 1.00 0.00 N ATOM 1422 CA GLU A 96 -9.032 -11.197 -3.924 1.00 0.00 C ATOM 1423 C GLU A 96 -8.993 -10.122 -5.006 1.00 0.00 C ATOM 1424 O GLU A 96 -9.652 -10.224 -6.042 1.00 0.00 O ATOM 1425 CB GLU A 96 -8.345 -12.469 -4.427 1.00 0.00 C ATOM 1426 CG GLU A 96 -6.951 -12.228 -4.981 1.00 0.00 C ATOM 1427 CD GLU A 96 -6.199 -13.518 -5.249 1.00 0.00 C ATOM 1428 OE1 GLU A 96 -6.462 -14.515 -4.545 1.00 0.00 O ATOM 1429 OE2 GLU A 96 -5.348 -13.529 -6.163 1.00 0.00 O ATOM 0 H GLU A 96 -11.115 -11.076 -4.134 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.498 -10.826 -3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.283 -13.186 -3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.962 -12.923 -5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.025 -11.656 -5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.384 -11.621 -4.276 1.00 0.00 H new ATOM 1436 N PRO A 97 -8.204 -9.066 -4.762 1.00 0.00 N ATOM 1437 CA PRO A 97 -8.060 -7.951 -5.703 1.00 0.00 C ATOM 1438 C PRO A 97 -7.301 -8.351 -6.964 1.00 0.00 C ATOM 1439 O PRO A 97 -6.369 -9.154 -6.910 1.00 0.00 O ATOM 1440 CB PRO A 97 -7.264 -6.915 -4.906 1.00 0.00 C ATOM 1441 CG PRO A 97 -6.510 -7.710 -3.897 1.00 0.00 C ATOM 1442 CD PRO A 97 -7.391 -8.878 -3.549 1.00 0.00 C ATOM 0 HA PRO A 97 -9.025 -7.588 -6.056 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.589 -6.352 -5.551 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.924 -6.192 -4.427 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.555 -8.048 -4.300 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -6.289 -7.111 -3.014 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.806 -9.767 -3.316 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -8.012 -8.668 -2.678 1.00 0.00 H new ATOM 1450 N ASP A 98 -7.704 -7.786 -8.096 1.00 0.00 N ATOM 1451 CA ASP A 98 -7.061 -8.083 -9.371 1.00 0.00 C ATOM 1452 C ASP A 98 -5.573 -7.748 -9.319 1.00 0.00 C ATOM 1453 O ASP A 98 -5.190 -6.579 -9.280 1.00 0.00 O ATOM 1454 CB ASP A 98 -7.734 -7.302 -10.500 1.00 0.00 C ATOM 1455 CG ASP A 98 -7.540 -7.958 -11.853 1.00 0.00 C ATOM 1456 OD1 ASP A 98 -7.904 -9.145 -11.995 1.00 0.00 O ATOM 1457 OD2 ASP A 98 -7.025 -7.285 -12.770 1.00 0.00 O ATOM 0 H ASP A 98 -8.473 -7.119 -8.157 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.168 -9.150 -9.565 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.800 -7.214 -10.292 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.330 -6.290 -10.529 1.00 0.00 H new ATOM 1462 N LYS A 99 -4.739 -8.782 -9.319 1.00 0.00 N ATOM 1463 CA LYS A 99 -3.293 -8.599 -9.273 1.00 0.00 C ATOM 1464 C LYS A 99 -2.879 -7.346 -10.038 1.00 0.00 C ATOM 1465 O LYS A 99 -2.417 -6.369 -9.446 1.00 0.00 O ATOM 1466 CB LYS A 99 -2.584 -9.823 -9.856 1.00 0.00 C ATOM 1467 CG LYS A 99 -1.174 -10.020 -9.326 1.00 0.00 C ATOM 1468 CD LYS A 99 -0.150 -9.297 -10.185 1.00 0.00 C ATOM 1469 CE LYS A 99 0.359 -10.185 -11.310 1.00 0.00 C ATOM 1470 NZ LYS A 99 1.724 -9.790 -11.754 1.00 0.00 N ATOM 0 H LYS A 99 -5.040 -9.756 -9.350 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.000 -8.480 -8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.173 -10.713 -9.636 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.545 -9.727 -10.941 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -1.115 -9.653 -8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.940 -11.084 -9.298 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.597 -8.396 -10.605 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.687 -8.978 -9.564 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.372 -11.223 -10.976 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.328 -10.130 -12.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.035 -10.419 -12.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.707 -8.808 -12.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.385 -9.866 -10.955 1.00 0.00 H new ATOM 1484 N LEU A 100 -3.047 -7.380 -11.355 1.00 0.00 N ATOM 1485 CA LEU A 100 -2.692 -6.246 -12.201 1.00 0.00 C ATOM 1486 C LEU A 100 -3.091 -4.929 -11.543 1.00 0.00 C ATOM 1487 O LEU A 100 -2.260 -4.042 -11.352 1.00 0.00 O ATOM 1488 CB LEU A 100 -3.369 -6.372 -13.567 1.00 0.00 C ATOM 1489 CG LEU A 100 -2.785 -7.424 -14.511 1.00 0.00 C ATOM 1490 CD1 LEU A 100 -3.690 -7.621 -15.716 1.00 0.00 C ATOM 1491 CD2 LEU A 100 -1.384 -7.026 -14.953 1.00 0.00 C ATOM 0 H LEU A 100 -3.427 -8.180 -11.860 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.610 -6.250 -12.336 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.423 -6.600 -13.408 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -3.324 -5.403 -14.063 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.719 -8.370 -13.973 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.258 -8.373 -16.376 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.673 -7.953 -15.382 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.789 -6.679 -16.255 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.984 -7.786 -15.624 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.425 -6.069 -15.472 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.738 -6.938 -14.079 1.00 0.00 H new ATOM 1503 N SER A 101 -4.369 -4.810 -11.197 1.00 0.00 N ATOM 1504 CA SER A 101 -4.880 -3.601 -10.561 1.00 0.00 C ATOM 1505 C SER A 101 -4.093 -3.280 -9.294 1.00 0.00 C ATOM 1506 O SER A 101 -3.776 -2.122 -9.024 1.00 0.00 O ATOM 1507 CB SER A 101 -6.364 -3.763 -10.227 1.00 0.00 C ATOM 1508 OG SER A 101 -7.107 -4.138 -11.373 1.00 0.00 O ATOM 0 H SER A 101 -5.070 -5.536 -11.346 1.00 0.00 H new ATOM 0 HA SER A 101 -4.761 -2.774 -11.261 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.485 -4.517 -9.449 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.754 -2.827 -9.827 1.00 0.00 H new ATOM 0 HG SER A 101 -8.052 -4.237 -11.132 1.00 0.00 H new ATOM 1514 N MET A 102 -3.782 -4.315 -8.520 1.00 0.00 N ATOM 1515 CA MET A 102 -3.032 -4.144 -7.281 1.00 0.00 C ATOM 1516 C MET A 102 -1.642 -3.582 -7.561 1.00 0.00 C ATOM 1517 O MET A 102 -1.300 -2.489 -7.108 1.00 0.00 O ATOM 1518 CB MET A 102 -2.916 -5.479 -6.542 1.00 0.00 C ATOM 1519 CG MET A 102 -4.225 -5.951 -5.931 1.00 0.00 C ATOM 1520 SD MET A 102 -4.414 -5.439 -4.213 1.00 0.00 S ATOM 1521 CE MET A 102 -4.021 -3.696 -4.333 1.00 0.00 C ATOM 0 H MET A 102 -4.038 -5.280 -8.729 1.00 0.00 H new ATOM 0 HA MET A 102 -3.572 -3.435 -6.653 1.00 0.00 H new ATOM 0 HB2 MET A 102 -2.553 -6.238 -7.235 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.170 -5.385 -5.753 1.00 0.00 H new ATOM 0 HG2 MET A 102 -5.057 -5.559 -6.516 1.00 0.00 H new ATOM 0 HG3 MET A 102 -4.278 -7.038 -5.990 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.146 -3.227 -3.357 1.00 0.00 H new ATOM 0 HE2 MET A 102 -2.989 -3.578 -4.663 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.689 -3.221 -5.052 1.00 0.00 H new ATOM 1531 N VAL A 103 -0.843 -4.336 -8.309 1.00 0.00 N ATOM 1532 CA VAL A 103 0.510 -3.912 -8.650 1.00 0.00 C ATOM 1533 C VAL A 103 0.509 -2.523 -9.278 1.00 0.00 C ATOM 1534 O VAL A 103 1.250 -1.638 -8.852 1.00 0.00 O ATOM 1535 CB VAL A 103 1.181 -4.902 -9.620 1.00 0.00 C ATOM 1536 CG1 VAL A 103 2.546 -4.387 -10.050 1.00 0.00 C ATOM 1537 CG2 VAL A 103 1.298 -6.278 -8.981 1.00 0.00 C ATOM 0 H VAL A 103 -1.109 -5.244 -8.691 1.00 0.00 H new ATOM 0 HA VAL A 103 1.077 -3.886 -7.720 1.00 0.00 H new ATOM 0 HB VAL A 103 0.557 -4.991 -10.509 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.005 -5.100 -10.735 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.431 -3.425 -10.550 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.182 -4.266 -9.173 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.774 -6.965 -9.681 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.899 -6.208 -8.075 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.304 -6.648 -8.729 1.00 0.00 H new ATOM 1547 N MET A 104 -0.328 -2.340 -10.294 1.00 0.00 N ATOM 1548 CA MET A 104 -0.427 -1.057 -10.981 1.00 0.00 C ATOM 1549 C MET A 104 -0.764 0.061 -9.999 1.00 0.00 C ATOM 1550 O MET A 104 0.061 0.935 -9.732 1.00 0.00 O ATOM 1551 CB MET A 104 -1.488 -1.123 -12.080 1.00 0.00 C ATOM 1552 CG MET A 104 -1.044 -1.903 -13.307 1.00 0.00 C ATOM 1553 SD MET A 104 -1.878 -1.363 -14.812 1.00 0.00 S ATOM 1554 CE MET A 104 -2.318 -2.940 -15.540 1.00 0.00 C ATOM 0 H MET A 104 -0.947 -3.063 -10.660 1.00 0.00 H new ATOM 0 HA MET A 104 0.541 -0.840 -11.433 1.00 0.00 H new ATOM 0 HB2 MET A 104 -2.391 -1.581 -11.675 1.00 0.00 H new ATOM 0 HB3 MET A 104 -1.752 -0.109 -12.380 1.00 0.00 H new ATOM 0 HG2 MET A 104 0.033 -1.792 -13.433 1.00 0.00 H new ATOM 0 HG3 MET A 104 -1.239 -2.964 -13.149 1.00 0.00 H new ATOM 0 HE1 MET A 104 -2.458 -2.819 -16.614 1.00 0.00 H new ATOM 0 HE2 MET A 104 -1.521 -3.660 -15.357 1.00 0.00 H new ATOM 0 HE3 MET A 104 -3.244 -3.302 -15.092 1.00 0.00 H new ATOM 1564 N TYR A 105 -1.980 0.026 -9.465 1.00 0.00 N ATOM 1565 CA TYR A 105 -2.426 1.038 -8.515 1.00 0.00 C ATOM 1566 C TYR A 105 -1.321 1.376 -7.519 1.00 0.00 C ATOM 1567 O TYR A 105 -1.028 2.547 -7.273 1.00 0.00 O ATOM 1568 CB TYR A 105 -3.670 0.552 -7.767 1.00 0.00 C ATOM 1569 CG TYR A 105 -4.050 1.426 -6.594 1.00 0.00 C ATOM 1570 CD1 TYR A 105 -4.663 2.658 -6.789 1.00 0.00 C ATOM 1571 CD2 TYR A 105 -3.798 1.019 -5.289 1.00 0.00 C ATOM 1572 CE1 TYR A 105 -5.012 3.459 -5.720 1.00 0.00 C ATOM 1573 CE2 TYR A 105 -4.145 1.814 -4.214 1.00 0.00 C ATOM 1574 CZ TYR A 105 -4.751 3.033 -4.434 1.00 0.00 C ATOM 1575 OH TYR A 105 -5.099 3.829 -3.366 1.00 0.00 O ATOM 0 H TYR A 105 -2.674 -0.692 -9.674 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.674 1.940 -9.074 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.508 0.507 -8.463 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.496 -0.464 -7.412 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.870 2.995 -7.794 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -3.323 0.065 -5.113 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.487 4.414 -5.890 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -3.943 1.483 -3.206 1.00 0.00 H new ATOM 0 HH TYR A 105 -5.852 3.423 -2.887 1.00 0.00 H new ATOM 1585 N LEU A 106 -0.710 0.343 -6.950 1.00 0.00 N ATOM 1586 CA LEU A 106 0.365 0.528 -5.981 1.00 0.00 C ATOM 1587 C LEU A 106 1.527 1.300 -6.598 1.00 0.00 C ATOM 1588 O LEU A 106 1.998 2.289 -6.037 1.00 0.00 O ATOM 1589 CB LEU A 106 0.854 -0.827 -5.467 1.00 0.00 C ATOM 1590 CG LEU A 106 -0.132 -1.611 -4.599 1.00 0.00 C ATOM 1591 CD1 LEU A 106 0.339 -3.045 -4.419 1.00 0.00 C ATOM 1592 CD2 LEU A 106 -0.311 -0.932 -3.249 1.00 0.00 C ATOM 0 H LEU A 106 -0.940 -0.632 -7.143 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.028 1.106 -5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.122 -1.444 -6.325 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.766 -0.667 -4.892 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.097 -1.629 -5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.375 -3.587 -3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.414 -3.528 -5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.316 -3.049 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -1.016 -1.503 -2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.650 -0.883 -2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.695 0.077 -3.397 1.00 0.00 H new ATOM 1604 N THR A 107 1.985 0.842 -7.760 1.00 0.00 N ATOM 1605 CA THR A 107 3.091 1.489 -8.454 1.00 0.00 C ATOM 1606 C THR A 107 3.047 3.001 -8.269 1.00 0.00 C ATOM 1607 O THR A 107 4.044 3.619 -7.896 1.00 0.00 O ATOM 1608 CB THR A 107 3.074 1.166 -9.960 1.00 0.00 C ATOM 1609 OG1 THR A 107 3.192 -0.247 -10.160 1.00 0.00 O ATOM 1610 CG2 THR A 107 4.208 1.881 -10.679 1.00 0.00 C ATOM 0 H THR A 107 1.606 0.025 -8.240 1.00 0.00 H new ATOM 0 HA THR A 107 4.010 1.099 -8.017 1.00 0.00 H new ATOM 0 HB THR A 107 2.127 1.513 -10.373 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.401 -0.696 -9.795 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.176 1.638 -11.741 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.099 2.958 -10.550 1.00 0.00 H new ATOM 0 HG23 THR A 107 5.163 1.560 -10.262 1.00 0.00 H new ATOM 1618 N GLN A 108 1.885 3.591 -8.532 1.00 0.00 N ATOM 1619 CA GLN A 108 1.712 5.032 -8.394 1.00 0.00 C ATOM 1620 C GLN A 108 2.408 5.546 -7.138 1.00 0.00 C ATOM 1621 O GLN A 108 3.122 6.548 -7.177 1.00 0.00 O ATOM 1622 CB GLN A 108 0.225 5.387 -8.349 1.00 0.00 C ATOM 1623 CG GLN A 108 -0.535 4.982 -9.602 1.00 0.00 C ATOM 1624 CD GLN A 108 -1.893 5.648 -9.701 1.00 0.00 C ATOM 1625 OE1 GLN A 108 -2.951 4.868 -9.514 1.00 0.00 O flip ATOM 1626 NE2 GLN A 108 -1.991 6.852 -9.943 1.00 0.00 N flip ATOM 0 H GLN A 108 1.050 3.093 -8.842 1.00 0.00 H new ATOM 0 HA GLN A 108 2.166 5.511 -9.261 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.230 4.902 -7.485 1.00 0.00 H new ATOM 0 HB3 GLN A 108 0.121 6.462 -8.202 1.00 0.00 H new ATOM 0 HG2 GLN A 108 0.057 5.239 -10.480 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.664 3.900 -9.610 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -1.151 7.415 -10.080 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -2.912 7.286 -10.006 1.00 0.00 H new ATOM 1635 N PHE A 109 2.194 4.854 -6.024 1.00 0.00 N ATOM 1636 CA PHE A 109 2.800 5.241 -4.755 1.00 0.00 C ATOM 1637 C PHE A 109 4.320 5.135 -4.823 1.00 0.00 C ATOM 1638 O PHE A 109 5.031 6.128 -4.664 1.00 0.00 O ATOM 1639 CB PHE A 109 2.266 4.362 -3.622 1.00 0.00 C ATOM 1640 CG PHE A 109 0.831 4.637 -3.275 1.00 0.00 C ATOM 1641 CD1 PHE A 109 -0.195 4.094 -4.032 1.00 0.00 C ATOM 1642 CD2 PHE A 109 0.506 5.438 -2.192 1.00 0.00 C ATOM 1643 CE1 PHE A 109 -1.516 4.345 -3.716 1.00 0.00 C ATOM 1644 CE2 PHE A 109 -0.814 5.694 -1.871 1.00 0.00 C ATOM 1645 CZ PHE A 109 -1.826 5.145 -2.634 1.00 0.00 C ATOM 0 H PHE A 109 1.606 4.022 -5.974 1.00 0.00 H new ATOM 0 HA PHE A 109 2.535 6.279 -4.556 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.368 3.315 -3.906 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.881 4.513 -2.735 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.041 3.467 -4.879 1.00 0.00 H new ATOM 0 HD2 PHE A 109 1.294 5.868 -1.591 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -2.306 3.916 -4.315 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -1.053 6.322 -1.026 1.00 0.00 H new ATOM 0 HZ PHE A 109 -2.858 5.341 -2.385 1.00 0.00 H new ATOM 1655 N TYR A 110 4.812 3.924 -5.060 1.00 0.00 N ATOM 1656 CA TYR A 110 6.248 3.686 -5.147 1.00 0.00 C ATOM 1657 C TYR A 110 6.924 4.741 -6.018 1.00 0.00 C ATOM 1658 O TYR A 110 7.821 5.451 -5.566 1.00 0.00 O ATOM 1659 CB TYR A 110 6.522 2.291 -5.711 1.00 0.00 C ATOM 1660 CG TYR A 110 7.815 2.196 -6.489 1.00 0.00 C ATOM 1661 CD1 TYR A 110 9.014 1.902 -5.851 1.00 0.00 C ATOM 1662 CD2 TYR A 110 7.838 2.399 -7.864 1.00 0.00 C ATOM 1663 CE1 TYR A 110 10.197 1.815 -6.558 1.00 0.00 C ATOM 1664 CE2 TYR A 110 9.017 2.312 -8.579 1.00 0.00 C ATOM 1665 CZ TYR A 110 10.193 2.021 -7.922 1.00 0.00 C ATOM 1666 OH TYR A 110 11.370 1.933 -8.630 1.00 0.00 O ATOM 0 H TYR A 110 4.238 3.092 -5.195 1.00 0.00 H new ATOM 0 HA TYR A 110 6.663 3.752 -4.141 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.548 1.575 -4.890 1.00 0.00 H new ATOM 0 HB3 TYR A 110 5.695 2.002 -6.360 1.00 0.00 H new ATOM 0 HD1 TYR A 110 9.021 1.739 -4.783 1.00 0.00 H new ATOM 0 HD2 TYR A 110 6.919 2.629 -8.382 1.00 0.00 H new ATOM 0 HE1 TYR A 110 11.120 1.587 -6.046 1.00 0.00 H new ATOM 0 HE2 TYR A 110 9.017 2.471 -9.647 1.00 0.00 H new ATOM 0 HH TYR A 110 11.194 2.104 -9.579 1.00 0.00 H new ATOM 1676 N GLU A 111 6.484 4.836 -7.269 1.00 0.00 N ATOM 1677 CA GLU A 111 7.046 5.804 -8.203 1.00 0.00 C ATOM 1678 C GLU A 111 7.058 7.204 -7.596 1.00 0.00 C ATOM 1679 O GLU A 111 7.842 8.061 -8.002 1.00 0.00 O ATOM 1680 CB GLU A 111 6.247 5.809 -9.509 1.00 0.00 C ATOM 1681 CG GLU A 111 6.567 4.637 -10.422 1.00 0.00 C ATOM 1682 CD GLU A 111 5.897 4.755 -11.777 1.00 0.00 C ATOM 1683 OE1 GLU A 111 4.861 5.446 -11.870 1.00 0.00 O ATOM 1684 OE2 GLU A 111 6.409 4.155 -12.746 1.00 0.00 O ATOM 0 H GLU A 111 5.741 4.255 -7.658 1.00 0.00 H new ATOM 0 HA GLU A 111 8.074 5.511 -8.415 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.183 5.796 -9.274 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.444 6.739 -10.042 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.646 4.572 -10.559 1.00 0.00 H new ATOM 0 HG3 GLU A 111 6.250 3.711 -9.943 1.00 0.00 H new ATOM 1691 N MET A 112 6.181 7.427 -6.622 1.00 0.00 N ATOM 1692 CA MET A 112 6.091 8.722 -5.958 1.00 0.00 C ATOM 1693 C MET A 112 7.211 8.889 -4.937 1.00 0.00 C ATOM 1694 O MET A 112 7.809 9.959 -4.826 1.00 0.00 O ATOM 1695 CB MET A 112 4.732 8.874 -5.272 1.00 0.00 C ATOM 1696 CG MET A 112 4.257 10.314 -5.176 1.00 0.00 C ATOM 1697 SD MET A 112 3.817 11.008 -6.781 1.00 0.00 S ATOM 1698 CE MET A 112 2.117 11.489 -6.487 1.00 0.00 C ATOM 0 H MET A 112 5.523 6.728 -6.276 1.00 0.00 H new ATOM 0 HA MET A 112 6.196 9.499 -6.716 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.991 8.291 -5.819 1.00 0.00 H new ATOM 0 HB3 MET A 112 4.792 8.452 -4.269 1.00 0.00 H new ATOM 0 HG2 MET A 112 3.393 10.364 -4.513 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.041 10.922 -4.724 1.00 0.00 H new ATOM 0 HE1 MET A 112 1.704 11.936 -7.391 1.00 0.00 H new ATOM 0 HE2 MET A 112 1.532 10.610 -6.217 1.00 0.00 H new ATOM 0 HE3 MET A 112 2.079 12.214 -5.674 1.00 0.00 H new ATOM 1708 N PHE A 113 7.490 7.824 -4.192 1.00 0.00 N ATOM 1709 CA PHE A 113 8.538 7.854 -3.178 1.00 0.00 C ATOM 1710 C PHE A 113 9.666 6.890 -3.534 1.00 0.00 C ATOM 1711 O PHE A 113 10.263 6.263 -2.658 1.00 0.00 O ATOM 1712 CB PHE A 113 7.961 7.497 -1.807 1.00 0.00 C ATOM 1713 CG PHE A 113 6.738 8.290 -1.447 1.00 0.00 C ATOM 1714 CD1 PHE A 113 6.752 9.674 -1.502 1.00 0.00 C ATOM 1715 CD2 PHE A 113 5.573 7.651 -1.053 1.00 0.00 C ATOM 1716 CE1 PHE A 113 5.628 10.407 -1.170 1.00 0.00 C ATOM 1717 CE2 PHE A 113 4.445 8.378 -0.720 1.00 0.00 C ATOM 1718 CZ PHE A 113 4.473 9.758 -0.780 1.00 0.00 C ATOM 0 H PHE A 113 7.005 6.930 -4.271 1.00 0.00 H new ATOM 0 HA PHE A 113 8.945 8.865 -3.141 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.714 6.436 -1.791 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.725 7.658 -1.047 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.652 10.187 -1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.546 6.572 -1.006 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.653 11.486 -1.216 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.544 7.868 -0.414 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.593 10.328 -0.522 1.00 0.00 H new ATOM 1728 N LYS A 114 9.954 6.777 -4.826 1.00 0.00 N ATOM 1729 CA LYS A 114 11.010 5.890 -5.301 1.00 0.00 C ATOM 1730 C LYS A 114 12.375 6.563 -5.189 1.00 0.00 C ATOM 1731 O LYS A 114 13.375 5.912 -4.886 1.00 0.00 O ATOM 1732 CB LYS A 114 10.748 5.482 -6.752 1.00 0.00 C ATOM 1733 CG LYS A 114 10.956 6.610 -7.749 1.00 0.00 C ATOM 1734 CD LYS A 114 10.810 6.123 -9.180 1.00 0.00 C ATOM 1735 CE LYS A 114 10.586 7.280 -10.142 1.00 0.00 C ATOM 1736 NZ LYS A 114 9.146 7.645 -10.246 1.00 0.00 N ATOM 0 H LYS A 114 9.471 7.289 -5.564 1.00 0.00 H new ATOM 0 HA LYS A 114 11.011 4.998 -4.675 1.00 0.00 H new ATOM 0 HB2 LYS A 114 11.406 4.653 -7.012 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.725 5.116 -6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 114 10.233 7.403 -7.558 1.00 0.00 H new ATOM 0 HG3 LYS A 114 11.947 7.042 -7.610 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.705 5.574 -9.472 1.00 0.00 H new ATOM 0 HD3 LYS A 114 9.974 5.427 -9.245 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.157 8.146 -9.807 1.00 0.00 H new ATOM 0 HE3 LYS A 114 10.964 7.011 -11.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 9.028 8.391 -10.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 8.595 6.808 -10.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 8.808 7.991 -9.325 1.00 0.00 H new ATOM 1750 N ASP A 115 12.409 7.867 -5.436 1.00 0.00 N ATOM 1751 CA ASP A 115 13.650 8.628 -5.360 1.00 0.00 C ATOM 1752 C ASP A 115 14.060 8.857 -3.909 1.00 0.00 C ATOM 1753 O ASP A 115 15.176 8.525 -3.508 1.00 0.00 O ATOM 1754 CB ASP A 115 13.496 9.970 -6.077 1.00 0.00 C ATOM 1755 CG ASP A 115 12.410 10.832 -5.464 1.00 0.00 C ATOM 1756 OD1 ASP A 115 11.219 10.506 -5.648 1.00 0.00 O ATOM 1757 OD2 ASP A 115 12.752 11.833 -4.801 1.00 0.00 O ATOM 0 H ASP A 115 11.591 8.420 -5.691 1.00 0.00 H new ATOM 0 HA ASP A 115 14.432 8.050 -5.852 1.00 0.00 H new ATOM 0 HB2 ASP A 115 14.444 10.507 -6.044 1.00 0.00 H new ATOM 0 HB3 ASP A 115 13.266 9.793 -7.128 1.00 0.00 H new ATOM 1762 N SER A 116 13.150 9.428 -3.125 1.00 0.00 N ATOM 1763 CA SER A 116 13.419 9.706 -1.719 1.00 0.00 C ATOM 1764 C SER A 116 14.151 8.539 -1.065 1.00 0.00 C ATOM 1765 O SER A 116 14.967 8.730 -0.164 1.00 0.00 O ATOM 1766 CB SER A 116 12.112 9.986 -0.975 1.00 0.00 C ATOM 1767 OG SER A 116 11.680 11.319 -1.186 1.00 0.00 O ATOM 0 H SER A 116 12.221 9.707 -3.440 1.00 0.00 H new ATOM 0 HA SER A 116 14.057 10.588 -1.663 1.00 0.00 H new ATOM 0 HB2 SER A 116 11.342 9.293 -1.313 1.00 0.00 H new ATOM 0 HB3 SER A 116 12.252 9.810 0.092 1.00 0.00 H new ATOM 0 HG SER A 116 10.842 11.472 -0.701 1.00 0.00 H new ATOM 1773 N GLY A 117 13.852 7.328 -1.525 1.00 0.00 N ATOM 1774 CA GLY A 117 14.489 6.146 -0.974 1.00 0.00 C ATOM 1775 C GLY A 117 15.849 5.882 -1.587 1.00 0.00 C ATOM 1776 O GLY A 117 16.179 6.387 -2.660 1.00 0.00 O ATOM 0 H GLY A 117 13.180 7.144 -2.270 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.597 6.264 0.104 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.846 5.281 -1.137 1.00 0.00 H new ATOM 1780 N PRO A 118 16.667 5.073 -0.897 1.00 0.00 N ATOM 1781 CA PRO A 118 18.013 4.724 -1.360 1.00 0.00 C ATOM 1782 C PRO A 118 17.987 3.816 -2.585 1.00 0.00 C ATOM 1783 O PRO A 118 18.894 3.854 -3.417 1.00 0.00 O ATOM 1784 CB PRO A 118 18.622 3.991 -0.163 1.00 0.00 C ATOM 1785 CG PRO A 118 17.453 3.443 0.581 1.00 0.00 C ATOM 1786 CD PRO A 118 16.339 4.435 0.390 1.00 0.00 C ATOM 0 HA PRO A 118 18.578 5.603 -1.670 1.00 0.00 H new ATOM 0 HB2 PRO A 118 19.294 3.196 -0.486 1.00 0.00 H new ATOM 0 HB3 PRO A 118 19.206 4.668 0.460 1.00 0.00 H new ATOM 0 HG2 PRO A 118 17.172 2.462 0.198 1.00 0.00 H new ATOM 0 HG3 PRO A 118 17.687 3.318 1.638 1.00 0.00 H new ATOM 0 HD2 PRO A 118 15.366 3.945 0.359 1.00 0.00 H new ATOM 0 HD3 PRO A 118 16.305 5.162 1.202 1.00 0.00 H new ATOM 1794 N SER A 119 16.944 2.999 -2.688 1.00 0.00 N ATOM 1795 CA SER A 119 16.802 2.078 -3.810 1.00 0.00 C ATOM 1796 C SER A 119 16.113 2.759 -4.988 1.00 0.00 C ATOM 1797 O SER A 119 15.311 3.675 -4.808 1.00 0.00 O ATOM 1798 CB SER A 119 16.007 0.842 -3.385 1.00 0.00 C ATOM 1799 OG SER A 119 16.735 0.064 -2.450 1.00 0.00 O ATOM 0 H SER A 119 16.185 2.956 -2.008 1.00 0.00 H new ATOM 0 HA SER A 119 17.799 1.770 -4.123 1.00 0.00 H new ATOM 0 HB2 SER A 119 15.058 1.149 -2.946 1.00 0.00 H new ATOM 0 HB3 SER A 119 15.772 0.238 -4.261 1.00 0.00 H new ATOM 0 HG SER A 119 16.205 -0.719 -2.193 1.00 0.00 H new ATOM 1805 N SER A 120 16.433 2.305 -6.196 1.00 0.00 N ATOM 1806 CA SER A 120 15.849 2.872 -7.406 1.00 0.00 C ATOM 1807 C SER A 120 15.661 1.798 -8.473 1.00 0.00 C ATOM 1808 O SER A 120 16.265 0.728 -8.407 1.00 0.00 O ATOM 1809 CB SER A 120 16.735 3.995 -7.947 1.00 0.00 C ATOM 1810 OG SER A 120 16.037 4.783 -8.896 1.00 0.00 O ATOM 0 H SER A 120 17.094 1.546 -6.363 1.00 0.00 H new ATOM 0 HA SER A 120 14.871 3.281 -7.151 1.00 0.00 H new ATOM 0 HB2 SER A 120 17.072 4.625 -7.124 1.00 0.00 H new ATOM 0 HB3 SER A 120 17.626 3.569 -8.408 1.00 0.00 H new ATOM 0 HG SER A 120 16.624 5.495 -9.225 1.00 0.00 H new ATOM 1816 N GLY A 121 14.816 2.092 -9.457 1.00 0.00 N ATOM 1817 CA GLY A 121 14.562 1.142 -10.525 1.00 0.00 C ATOM 1818 C GLY A 121 14.363 1.819 -11.867 1.00 0.00 C ATOM 1819 O GLY A 121 15.320 2.025 -12.613 1.00 0.00 O ATOM 0 H GLY A 121 14.303 2.970 -9.534 1.00 0.00 H new ATOM 0 HA2 GLY A 121 15.397 0.445 -10.593 1.00 0.00 H new ATOM 0 HA3 GLY A 121 13.676 0.555 -10.282 1.00 0.00 H new TER 1823 GLY A 121