USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 968 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 39 LYS NZ :NH3+ 162:sc= -0.636 (180deg=-1.38) USER MOD Set 1.2: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 15 SER OG : rot -60:sc= 0.901 USER MOD Set 2.2: A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 164:sc= 0 (180deg=-0.286) USER MOD Single : A 1 MET N :NH3+ 171:sc= 0 (180deg=-0.0554) USER MOD Single : A 2 LYS NZ :NH3+ 158:sc= -0.0244 (180deg=-0.219) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 160:sc= -0.494 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 30 THR OG1 : rot 3:sc= 0.606 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -42:sc= -0.36! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.58 X(o=-0.58,f=-0.59) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -6.02! K(o=-6!,f=-2.2) USER MOD Single : A 71 SER OG : rot -29:sc= 0.339 USER MOD Single : A 74 SER OG : rot 125:sc= 0.922! USER MOD Single : A 80 THR OG1 : rot -100:sc= -2.44 USER MOD Single : A 82 HIS : no HE2:sc= -1.14 K(o=-1.1,f=-1.8!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -133:sc= 0 (180deg=-1.05) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -157:sc= -0.0281 (180deg=-0.298) USER MOD Single : A 105 SER OG : rot 180:sc= -0.0181 USER MOD Single : A 112 THR OG1 : rot -100:sc= -2.43 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HE2:sc= -3.6 K(o=-3.6,f=-4.7!) USER MOD Single : A 120 TYR OH : rot 58:sc= 0.286 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.324 0.876 17.618 1.00 0.00 N ATOM 2 CA MET A 1 -0.914 2.097 16.878 1.00 0.00 C ATOM 3 C MET A 1 -0.201 1.740 15.578 1.00 0.00 C ATOM 4 O MET A 1 0.933 2.160 15.341 1.00 0.00 O ATOM 5 CB MET A 1 0.004 2.926 17.780 1.00 0.00 C ATOM 6 CG MET A 1 1.277 2.199 18.183 1.00 0.00 C ATOM 7 SD MET A 1 2.667 3.321 18.432 1.00 0.00 S ATOM 8 CE MET A 1 1.929 4.539 19.519 1.00 0.00 C ATOM 0 H1 MET A 1 -1.667 1.142 18.563 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.083 0.393 17.097 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.509 0.237 17.713 1.00 0.00 H new ATOM 0 HA MET A 1 -1.801 2.674 16.615 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.270 3.849 17.264 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.543 3.210 18.679 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.097 1.640 19.101 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.535 1.472 17.413 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.715 5.131 19.988 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.276 5.194 18.942 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.347 4.034 20.289 1.00 0.00 H new ATOM 20 N LYS A 2 -0.874 0.960 14.738 1.00 0.00 N ATOM 21 CA LYS A 2 -0.307 0.543 13.461 1.00 0.00 C ATOM 22 C LYS A 2 -1.401 0.082 12.502 1.00 0.00 C ATOM 23 O LYS A 2 -2.166 -0.831 12.811 1.00 0.00 O ATOM 24 CB LYS A 2 0.711 -0.572 13.675 1.00 0.00 C ATOM 25 CG LYS A 2 2.152 -0.123 13.494 1.00 0.00 C ATOM 26 CD LYS A 2 2.803 0.219 14.826 1.00 0.00 C ATOM 27 CE LYS A 2 4.068 -0.593 15.055 1.00 0.00 C ATOM 28 NZ LYS A 2 5.087 -0.345 13.998 1.00 0.00 N ATOM 0 H LYS A 2 -1.813 0.604 14.919 1.00 0.00 H new ATOM 0 HA LYS A 2 0.196 1.401 13.016 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.589 -0.976 14.680 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.501 -1.383 12.977 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.721 -0.912 13.002 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.183 0.748 12.839 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.042 1.282 14.852 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.098 0.031 15.635 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.488 -0.344 16.029 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.819 -1.654 15.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.029 -0.597 14.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.869 -0.925 13.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.075 0.661 13.733 1.00 0.00 H new ATOM 42 N ARG A 3 -1.470 0.723 11.339 1.00 0.00 N ATOM 43 CA ARG A 3 -2.473 0.383 10.336 1.00 0.00 C ATOM 44 C ARG A 3 -1.914 0.553 8.926 1.00 0.00 C ATOM 45 O ARG A 3 -1.288 1.563 8.617 1.00 0.00 O ATOM 46 CB ARG A 3 -3.715 1.260 10.508 1.00 0.00 C ATOM 47 CG ARG A 3 -4.152 1.421 11.956 1.00 0.00 C ATOM 48 CD ARG A 3 -3.452 2.594 12.624 1.00 0.00 C ATOM 49 NE ARG A 3 -3.861 2.753 14.017 1.00 0.00 N ATOM 50 CZ ARG A 3 -3.638 3.853 14.734 1.00 0.00 C ATOM 51 NH1 ARG A 3 -3.015 4.892 14.192 1.00 0.00 N ATOM 52 NH2 ARG A 3 -4.040 3.913 15.996 1.00 0.00 N ATOM 0 H ARG A 3 -0.843 1.481 11.068 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.749 -0.662 10.477 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.515 2.245 10.086 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.536 0.829 9.935 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.231 1.569 11.997 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.935 0.505 12.506 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.373 2.447 12.577 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.673 3.509 12.074 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.346 1.976 14.467 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.704 4.851 13.221 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -2.847 5.732 14.746 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.520 3.117 16.417 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -3.870 4.755 16.546 1.00 0.00 H new ATOM 66 N VAL A 4 -2.146 -0.439 8.073 1.00 0.00 N ATOM 67 CA VAL A 4 -1.666 -0.386 6.698 1.00 0.00 C ATOM 68 C VAL A 4 -2.813 -0.615 5.714 1.00 0.00 C ATOM 69 O VAL A 4 -3.862 -1.142 6.083 1.00 0.00 O ATOM 70 CB VAL A 4 -0.556 -1.426 6.447 1.00 0.00 C ATOM 71 CG1 VAL A 4 0.078 -1.219 5.082 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.498 -1.352 7.542 1.00 0.00 C ATOM 0 H VAL A 4 -2.662 -1.287 8.309 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.250 0.609 6.540 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.006 -2.418 6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.858 -1.964 4.927 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.682 -1.323 4.308 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.514 -0.221 5.031 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.275 -2.092 7.350 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.941 -0.356 7.554 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.034 -1.554 8.508 1.00 0.00 H new ATOM 82 N LEU A 5 -2.612 -0.209 4.466 1.00 0.00 N ATOM 83 CA LEU A 5 -3.635 -0.367 3.438 1.00 0.00 C ATOM 84 C LEU A 5 -3.137 -1.255 2.304 1.00 0.00 C ATOM 85 O LEU A 5 -2.002 -1.118 1.848 1.00 0.00 O ATOM 86 CB LEU A 5 -4.046 1.000 2.886 1.00 0.00 C ATOM 87 CG LEU A 5 -5.201 0.971 1.885 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.488 0.544 2.571 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.370 2.333 1.228 1.00 0.00 C ATOM 0 H LEU A 5 -1.751 0.232 4.141 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.502 -0.845 3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.324 1.644 3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.180 1.457 2.406 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.968 0.242 1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.300 0.529 1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.361 -0.452 2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.727 1.249 3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.196 2.295 0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.582 3.082 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.453 2.600 0.703 1.00 0.00 H new ATOM 101 N VAL A 6 -3.992 -2.167 1.854 1.00 0.00 N ATOM 102 CA VAL A 6 -3.632 -3.079 0.771 1.00 0.00 C ATOM 103 C VAL A 6 -4.521 -2.878 -0.450 1.00 0.00 C ATOM 104 O VAL A 6 -5.565 -3.515 -0.583 1.00 0.00 O ATOM 105 CB VAL A 6 -3.730 -4.550 1.213 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.098 -5.461 0.172 1.00 0.00 C ATOM 107 CG2 VAL A 6 -3.080 -4.748 2.573 1.00 0.00 C ATOM 0 H VAL A 6 -4.936 -2.295 2.220 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.600 -2.848 0.509 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.784 -4.813 1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.176 -6.497 0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.617 -5.342 -0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.048 -5.198 0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.161 -5.795 2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.028 -4.467 2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.584 -4.125 3.311 1.00 0.00 H new ATOM 117 N VAL A 7 -4.097 -1.997 -1.348 1.00 0.00 N ATOM 118 CA VAL A 7 -4.856 -1.726 -2.561 1.00 0.00 C ATOM 119 C VAL A 7 -4.481 -2.707 -3.666 1.00 0.00 C ATOM 120 O VAL A 7 -3.415 -2.600 -4.270 1.00 0.00 O ATOM 121 CB VAL A 7 -4.624 -0.290 -3.065 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.572 0.036 -4.208 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.784 0.708 -1.927 1.00 0.00 C ATOM 0 H VAL A 7 -3.234 -1.460 -1.259 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.910 -1.845 -2.309 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.603 -0.217 -3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.392 1.055 -4.550 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.402 -0.658 -5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.602 -0.055 -3.863 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.616 1.718 -2.302 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.792 0.635 -1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.058 0.487 -1.144 1.00 0.00 H new ATOM 133 N ASP A 8 -5.363 -3.667 -3.922 1.00 0.00 N ATOM 134 CA ASP A 8 -5.120 -4.669 -4.952 1.00 0.00 C ATOM 135 C ASP A 8 -6.397 -4.976 -5.725 1.00 0.00 C ATOM 136 O ASP A 8 -7.474 -5.099 -5.142 1.00 0.00 O ATOM 137 CB ASP A 8 -4.567 -5.950 -4.322 1.00 0.00 C ATOM 138 CG ASP A 8 -4.261 -7.021 -5.350 1.00 0.00 C ATOM 139 OD1 ASP A 8 -4.297 -6.712 -6.561 1.00 0.00 O ATOM 140 OD2 ASP A 8 -3.987 -8.171 -4.946 1.00 0.00 O ATOM 0 H ASP A 8 -6.251 -3.772 -3.431 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.385 -4.268 -5.650 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.659 -5.715 -3.767 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.289 -6.338 -3.603 1.00 0.00 H new ATOM 145 N ASP A 9 -6.271 -5.100 -7.043 1.00 0.00 N ATOM 146 CA ASP A 9 -7.417 -5.394 -7.895 1.00 0.00 C ATOM 147 C ASP A 9 -7.619 -6.902 -8.033 1.00 0.00 C ATOM 148 O ASP A 9 -7.779 -7.421 -9.137 1.00 0.00 O ATOM 149 CB ASP A 9 -7.227 -4.756 -9.274 1.00 0.00 C ATOM 150 CG ASP A 9 -8.414 -4.989 -10.189 1.00 0.00 C ATOM 151 OD1 ASP A 9 -9.420 -4.261 -10.053 1.00 0.00 O ATOM 152 OD2 ASP A 9 -8.336 -5.896 -11.044 1.00 0.00 O ATOM 0 H ASP A 9 -5.387 -5.001 -7.543 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.308 -4.972 -7.430 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.068 -3.684 -9.156 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.329 -5.163 -9.738 1.00 0.00 H new ATOM 157 N GLU A 10 -7.612 -7.599 -6.900 1.00 0.00 N ATOM 158 CA GLU A 10 -7.795 -9.046 -6.886 1.00 0.00 C ATOM 159 C GLU A 10 -7.740 -9.583 -5.460 1.00 0.00 C ATOM 160 O GLU A 10 -7.338 -8.876 -4.535 1.00 0.00 O ATOM 161 CB GLU A 10 -6.723 -9.727 -7.741 1.00 0.00 C ATOM 162 CG GLU A 10 -7.228 -10.948 -8.491 1.00 0.00 C ATOM 163 CD GLU A 10 -8.435 -10.642 -9.357 1.00 0.00 C ATOM 164 OE1 GLU A 10 -8.288 -9.872 -10.330 1.00 0.00 O ATOM 165 OE2 GLU A 10 -9.527 -11.172 -9.063 1.00 0.00 O ATOM 0 H GLU A 10 -7.481 -7.183 -5.978 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.777 -9.268 -7.304 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.331 -9.007 -8.459 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.892 -10.023 -7.100 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.427 -11.343 -9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.487 -11.728 -7.775 1.00 0.00 H new ATOM 172 N GLU A 11 -8.147 -10.835 -5.286 1.00 0.00 N ATOM 173 CA GLU A 11 -8.145 -11.464 -3.970 1.00 0.00 C ATOM 174 C GLU A 11 -7.013 -12.481 -3.855 1.00 0.00 C ATOM 175 O GLU A 11 -7.239 -13.644 -3.519 1.00 0.00 O ATOM 176 CB GLU A 11 -9.490 -12.143 -3.704 1.00 0.00 C ATOM 177 CG GLU A 11 -9.750 -12.426 -2.233 1.00 0.00 C ATOM 178 CD GLU A 11 -10.041 -13.889 -1.961 1.00 0.00 C ATOM 179 OE1 GLU A 11 -10.679 -14.536 -2.817 1.00 0.00 O ATOM 180 OE2 GLU A 11 -9.630 -14.386 -0.891 1.00 0.00 O ATOM 0 H GLU A 11 -8.483 -11.435 -6.040 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.986 -10.687 -3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.289 -11.510 -4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.530 -13.081 -4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.883 -12.118 -1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.593 -11.823 -1.895 1.00 0.00 H new ATOM 187 N SER A 12 -5.792 -12.035 -4.136 1.00 0.00 N ATOM 188 CA SER A 12 -4.624 -12.904 -4.064 1.00 0.00 C ATOM 189 C SER A 12 -3.713 -12.500 -2.908 1.00 0.00 C ATOM 190 O SER A 12 -3.403 -13.312 -2.037 1.00 0.00 O ATOM 191 CB SER A 12 -3.846 -12.858 -5.381 1.00 0.00 C ATOM 192 OG SER A 12 -4.694 -13.131 -6.483 1.00 0.00 O ATOM 0 H SER A 12 -5.587 -11.076 -4.416 1.00 0.00 H new ATOM 0 HA SER A 12 -4.971 -13.922 -3.890 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.390 -11.876 -5.504 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.034 -13.585 -5.353 1.00 0.00 H new ATOM 0 HG SER A 12 -4.174 -13.094 -7.313 1.00 0.00 H new ATOM 198 N ILE A 13 -3.291 -11.240 -2.908 1.00 0.00 N ATOM 199 CA ILE A 13 -2.418 -10.727 -1.859 1.00 0.00 C ATOM 200 C ILE A 13 -3.220 -10.389 -0.605 1.00 0.00 C ATOM 201 O ILE A 13 -2.729 -10.526 0.516 1.00 0.00 O ATOM 202 CB ILE A 13 -1.645 -9.473 -2.329 1.00 0.00 C ATOM 203 CG1 ILE A 13 -0.661 -9.840 -3.441 1.00 0.00 C ATOM 204 CG2 ILE A 13 -0.908 -8.823 -1.166 1.00 0.00 C ATOM 205 CD1 ILE A 13 -1.327 -10.376 -4.688 1.00 0.00 C ATOM 0 H ILE A 13 -3.539 -10.556 -3.622 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.698 -11.512 -1.626 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.366 -8.756 -2.721 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.076 -8.958 -3.702 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.038 -10.586 -3.064 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.372 -7.943 -1.521 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.625 -8.526 -0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.199 -9.534 -0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.567 -10.615 -5.432 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.889 -11.277 -4.442 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.005 -9.624 -5.090 1.00 0.00 H new ATOM 217 N THR A 14 -4.456 -9.945 -0.804 1.00 0.00 N ATOM 218 CA THR A 14 -5.330 -9.585 0.306 1.00 0.00 C ATOM 219 C THR A 14 -5.567 -10.775 1.233 1.00 0.00 C ATOM 220 O THR A 14 -5.965 -10.603 2.385 1.00 0.00 O ATOM 221 CB THR A 14 -6.666 -9.063 -0.223 1.00 0.00 C ATOM 222 OG1 THR A 14 -7.249 -9.993 -1.117 1.00 0.00 O ATOM 223 CG2 THR A 14 -6.548 -7.740 -0.949 1.00 0.00 C ATOM 0 H THR A 14 -4.876 -9.826 -1.726 1.00 0.00 H new ATOM 0 HA THR A 14 -4.837 -8.800 0.880 1.00 0.00 H new ATOM 0 HB THR A 14 -7.289 -8.919 0.660 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.209 -9.814 -1.194 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.532 -7.427 -1.298 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.148 -6.987 -0.270 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.879 -7.852 -1.802 1.00 0.00 H new ATOM 231 N SER A 15 -5.327 -11.981 0.726 1.00 0.00 N ATOM 232 CA SER A 15 -5.522 -13.192 1.515 1.00 0.00 C ATOM 233 C SER A 15 -4.248 -13.574 2.266 1.00 0.00 C ATOM 234 O SER A 15 -4.304 -14.225 3.309 1.00 0.00 O ATOM 235 CB SER A 15 -5.960 -14.347 0.614 1.00 0.00 C ATOM 236 OG SER A 15 -4.911 -14.742 -0.254 1.00 0.00 O ATOM 0 H SER A 15 -4.998 -12.145 -0.225 1.00 0.00 H new ATOM 0 HA SER A 15 -6.304 -12.991 2.248 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.268 -15.194 1.227 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.828 -14.046 0.027 1.00 0.00 H new ATOM 0 HG SER A 15 -4.648 -13.983 -0.816 1.00 0.00 H new ATOM 242 N SER A 16 -3.101 -13.170 1.730 1.00 0.00 N ATOM 243 CA SER A 16 -1.817 -13.477 2.352 1.00 0.00 C ATOM 244 C SER A 16 -1.321 -12.309 3.199 1.00 0.00 C ATOM 245 O SER A 16 -1.169 -12.432 4.414 1.00 0.00 O ATOM 246 CB SER A 16 -0.779 -13.824 1.283 1.00 0.00 C ATOM 247 OG SER A 16 -1.404 -14.247 0.083 1.00 0.00 O ATOM 0 H SER A 16 -3.034 -12.630 0.867 1.00 0.00 H new ATOM 0 HA SER A 16 -1.959 -14.337 3.006 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.153 -12.954 1.084 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.122 -14.612 1.652 1.00 0.00 H new ATOM 0 HG SER A 16 -0.719 -14.461 -0.585 1.00 0.00 H new ATOM 253 N LEU A 17 -1.067 -11.178 2.549 1.00 0.00 N ATOM 254 CA LEU A 17 -0.584 -9.985 3.239 1.00 0.00 C ATOM 255 C LEU A 17 -1.483 -9.635 4.422 1.00 0.00 C ATOM 256 O LEU A 17 -1.004 -9.431 5.537 1.00 0.00 O ATOM 257 CB LEU A 17 -0.509 -8.806 2.259 1.00 0.00 C ATOM 258 CG LEU A 17 0.235 -7.557 2.756 1.00 0.00 C ATOM 259 CD1 LEU A 17 -0.715 -6.617 3.480 1.00 0.00 C ATOM 260 CD2 LEU A 17 1.405 -7.932 3.656 1.00 0.00 C ATOM 0 H LEU A 17 -1.188 -11.061 1.543 1.00 0.00 H new ATOM 0 HA LEU A 17 0.414 -10.192 3.624 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.027 -9.151 1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.526 -8.516 1.993 1.00 0.00 H new ATOM 0 HG LEU A 17 0.635 -7.040 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.167 -5.739 3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.508 -6.306 2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.152 -7.130 4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.911 -7.027 3.991 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.036 -8.483 4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.106 -8.555 3.101 1.00 0.00 H new ATOM 272 N SER A 18 -2.790 -9.576 4.174 1.00 0.00 N ATOM 273 CA SER A 18 -3.756 -9.255 5.221 1.00 0.00 C ATOM 274 C SER A 18 -3.582 -10.168 6.432 1.00 0.00 C ATOM 275 O SER A 18 -3.324 -9.701 7.542 1.00 0.00 O ATOM 276 CB SER A 18 -5.182 -9.374 4.681 1.00 0.00 C ATOM 277 OG SER A 18 -6.106 -8.710 5.528 1.00 0.00 O ATOM 0 H SER A 18 -3.204 -9.746 3.257 1.00 0.00 H new ATOM 0 HA SER A 18 -3.576 -8.228 5.538 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.231 -8.948 3.679 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.455 -10.426 4.594 1.00 0.00 H new ATOM 0 HG SER A 18 -7.010 -8.799 5.160 1.00 0.00 H new ATOM 283 N ALA A 19 -3.722 -11.473 6.211 1.00 0.00 N ATOM 284 CA ALA A 19 -3.579 -12.454 7.284 1.00 0.00 C ATOM 285 C ALA A 19 -2.267 -12.256 8.036 1.00 0.00 C ATOM 286 O ALA A 19 -2.214 -12.378 9.260 1.00 0.00 O ATOM 287 CB ALA A 19 -3.653 -13.863 6.720 1.00 0.00 C ATOM 0 H ALA A 19 -3.934 -11.876 5.298 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.399 -12.309 7.988 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.545 -14.585 7.529 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.616 -14.009 6.230 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.851 -14.008 5.996 1.00 0.00 H new ATOM 293 N ILE A 20 -1.212 -11.947 7.294 1.00 0.00 N ATOM 294 CA ILE A 20 0.101 -11.726 7.886 1.00 0.00 C ATOM 295 C ILE A 20 0.042 -10.614 8.929 1.00 0.00 C ATOM 296 O ILE A 20 0.368 -10.828 10.096 1.00 0.00 O ATOM 297 CB ILE A 20 1.147 -11.382 6.799 1.00 0.00 C ATOM 298 CG1 ILE A 20 1.695 -12.665 6.173 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.283 -10.542 7.368 1.00 0.00 C ATOM 300 CD1 ILE A 20 2.670 -12.418 5.043 1.00 0.00 C ATOM 0 H ILE A 20 -1.240 -11.844 6.280 1.00 0.00 H new ATOM 0 HA ILE A 20 0.406 -12.650 8.377 1.00 0.00 H new ATOM 0 HB ILE A 20 0.652 -10.792 6.028 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.189 -13.254 6.946 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.863 -13.262 5.800 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.000 -10.318 6.579 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.882 -9.611 7.769 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.781 -11.095 8.164 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.017 -13.372 4.647 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.175 -11.855 4.252 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.521 -11.848 5.415 1.00 0.00 H new ATOM 312 N LEU A 21 -0.384 -9.428 8.507 1.00 0.00 N ATOM 313 CA LEU A 21 -0.493 -8.290 9.412 1.00 0.00 C ATOM 314 C LEU A 21 -1.213 -8.687 10.696 1.00 0.00 C ATOM 315 O LEU A 21 -0.837 -8.264 11.790 1.00 0.00 O ATOM 316 CB LEU A 21 -1.246 -7.158 8.728 1.00 0.00 C ATOM 317 CG LEU A 21 -0.708 -6.785 7.349 1.00 0.00 C ATOM 318 CD1 LEU A 21 -1.843 -6.686 6.343 1.00 0.00 C ATOM 319 CD2 LEU A 21 0.076 -5.485 7.423 1.00 0.00 C ATOM 0 H LEU A 21 -0.659 -9.230 7.545 1.00 0.00 H new ATOM 0 HA LEU A 21 0.512 -7.955 9.669 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.294 -7.442 8.631 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.212 -6.277 9.368 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.031 -7.570 7.012 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.441 -6.419 5.366 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.354 -7.646 6.275 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.549 -5.921 6.666 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.454 -5.231 6.433 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.576 -4.687 7.778 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.913 -5.604 8.111 1.00 0.00 H new ATOM 331 N GLU A 22 -2.247 -9.511 10.552 1.00 0.00 N ATOM 332 CA GLU A 22 -3.018 -9.977 11.696 1.00 0.00 C ATOM 333 C GLU A 22 -2.129 -10.753 12.662 1.00 0.00 C ATOM 334 O GLU A 22 -2.382 -10.780 13.867 1.00 0.00 O ATOM 335 CB GLU A 22 -4.182 -10.851 11.233 1.00 0.00 C ATOM 336 CG GLU A 22 -5.340 -10.060 10.648 1.00 0.00 C ATOM 337 CD GLU A 22 -6.493 -10.945 10.217 1.00 0.00 C ATOM 338 OE1 GLU A 22 -6.634 -12.051 10.780 1.00 0.00 O ATOM 339 OE2 GLU A 22 -7.255 -10.532 9.317 1.00 0.00 O ATOM 0 H GLU A 22 -2.569 -9.869 9.653 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.419 -9.107 12.216 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.821 -11.557 10.485 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.543 -11.438 12.077 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.695 -9.342 11.387 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.987 -9.487 9.791 1.00 0.00 H new ATOM 346 N GLU A 23 -1.079 -11.376 12.129 1.00 0.00 N ATOM 347 CA GLU A 23 -0.151 -12.138 12.947 1.00 0.00 C ATOM 348 C GLU A 23 0.858 -11.204 13.610 1.00 0.00 C ATOM 349 O GLU A 23 1.292 -11.439 14.738 1.00 0.00 O ATOM 350 CB GLU A 23 0.570 -13.180 12.085 1.00 0.00 C ATOM 351 CG GLU A 23 1.820 -13.758 12.728 1.00 0.00 C ATOM 352 CD GLU A 23 1.893 -15.268 12.614 1.00 0.00 C ATOM 353 OE1 GLU A 23 1.536 -15.800 11.542 1.00 0.00 O ATOM 354 OE2 GLU A 23 2.307 -15.919 13.597 1.00 0.00 O ATOM 0 H GLU A 23 -0.854 -11.365 11.134 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.708 -12.654 13.729 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.121 -13.993 11.863 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.842 -12.724 11.133 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.701 -13.320 12.259 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.846 -13.476 13.780 1.00 0.00 H new ATOM 361 N GLU A 24 1.223 -10.145 12.897 1.00 0.00 N ATOM 362 CA GLU A 24 2.178 -9.169 13.408 1.00 0.00 C ATOM 363 C GLU A 24 1.524 -8.247 14.433 1.00 0.00 C ATOM 364 O GLU A 24 1.813 -8.328 15.627 1.00 0.00 O ATOM 365 CB GLU A 24 2.758 -8.343 12.257 1.00 0.00 C ATOM 366 CG GLU A 24 3.427 -9.185 11.185 1.00 0.00 C ATOM 367 CD GLU A 24 4.888 -9.458 11.487 1.00 0.00 C ATOM 368 OE1 GLU A 24 5.622 -8.494 11.789 1.00 0.00 O ATOM 369 OE2 GLU A 24 5.297 -10.636 11.420 1.00 0.00 O ATOM 0 H GLU A 24 0.871 -9.940 11.962 1.00 0.00 H new ATOM 0 HA GLU A 24 2.985 -9.712 13.901 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.959 -7.757 11.802 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.484 -7.635 12.658 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.896 -10.132 11.088 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.347 -8.675 10.225 1.00 0.00 H new ATOM 376 N GLY A 25 0.644 -7.371 13.959 1.00 0.00 N ATOM 377 CA GLY A 25 -0.033 -6.449 14.845 1.00 0.00 C ATOM 378 C GLY A 25 -0.371 -5.135 14.168 1.00 0.00 C ATOM 379 O GLY A 25 0.042 -4.070 14.626 1.00 0.00 O ATOM 0 H GLY A 25 0.389 -7.285 12.975 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.949 -6.911 15.213 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.597 -6.255 15.713 1.00 0.00 H new ATOM 383 N TYR A 26 -1.123 -5.211 13.075 1.00 0.00 N ATOM 384 CA TYR A 26 -1.515 -4.019 12.333 1.00 0.00 C ATOM 385 C TYR A 26 -3.019 -4.008 12.074 1.00 0.00 C ATOM 386 O TYR A 26 -3.763 -4.818 12.627 1.00 0.00 O ATOM 387 CB TYR A 26 -0.765 -3.948 11.000 1.00 0.00 C ATOM 388 CG TYR A 26 0.737 -3.870 11.139 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.495 -5.016 11.337 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.396 -2.651 11.060 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.870 -4.949 11.458 1.00 0.00 C ATOM 392 CE2 TYR A 26 2.770 -2.575 11.176 1.00 0.00 C ATOM 393 CZ TYR A 26 3.502 -3.727 11.375 1.00 0.00 C ATOM 394 OH TYR A 26 4.871 -3.656 11.491 1.00 0.00 O ATOM 0 H TYR A 26 -1.473 -6.086 12.684 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.257 -3.150 12.938 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.019 -4.826 10.406 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.113 -3.076 10.446 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.002 -5.975 11.397 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.825 -1.747 10.905 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.446 -5.849 11.617 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.268 -1.619 11.111 1.00 0.00 H new ATOM 0 HH TYR A 26 5.158 -2.723 11.409 1.00 0.00 H new ATOM 404 N HIS A 27 -3.453 -3.087 11.221 1.00 0.00 N ATOM 405 CA HIS A 27 -4.861 -2.959 10.868 1.00 0.00 C ATOM 406 C HIS A 27 -5.004 -2.749 9.363 1.00 0.00 C ATOM 407 O HIS A 27 -5.023 -1.615 8.887 1.00 0.00 O ATOM 408 CB HIS A 27 -5.493 -1.791 11.626 1.00 0.00 C ATOM 409 CG HIS A 27 -6.830 -2.115 12.219 1.00 0.00 C ATOM 410 ND1 HIS A 27 -8.005 -1.534 11.789 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.176 -2.965 13.214 1.00 0.00 C ATOM 412 CE1 HIS A 27 -9.014 -2.013 12.495 1.00 0.00 C ATOM 413 NE2 HIS A 27 -8.538 -2.883 13.365 1.00 0.00 N ATOM 0 H HIS A 27 -2.843 -2.413 10.758 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.379 -3.876 11.148 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.818 -1.478 12.422 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.601 -0.944 10.948 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.505 -3.591 13.783 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.052 -1.739 12.379 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.092 -3.409 14.040 1.00 0.00 H new ATOM 422 N PRO A 28 -5.089 -3.846 8.591 1.00 0.00 N ATOM 423 CA PRO A 28 -5.211 -3.773 7.138 1.00 0.00 C ATOM 424 C PRO A 28 -6.625 -3.447 6.671 1.00 0.00 C ATOM 425 O PRO A 28 -7.601 -4.038 7.133 1.00 0.00 O ATOM 426 CB PRO A 28 -4.796 -5.168 6.683 1.00 0.00 C ATOM 427 CG PRO A 28 -5.139 -6.069 7.821 1.00 0.00 C ATOM 428 CD PRO A 28 -5.057 -5.237 9.078 1.00 0.00 C ATOM 0 HA PRO A 28 -4.601 -2.972 6.721 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.326 -5.460 5.776 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.730 -5.208 6.457 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.139 -6.484 7.697 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.448 -6.911 7.869 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.891 -5.444 9.748 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.143 -5.444 9.634 1.00 0.00 H new ATOM 436 N ASP A 29 -6.717 -2.492 5.750 1.00 0.00 N ATOM 437 CA ASP A 29 -8.011 -2.078 5.215 1.00 0.00 C ATOM 438 C ASP A 29 -8.182 -2.470 3.757 1.00 0.00 C ATOM 439 O ASP A 29 -9.139 -2.054 3.107 1.00 0.00 O ATOM 440 CB ASP A 29 -8.224 -0.576 5.392 1.00 0.00 C ATOM 441 CG ASP A 29 -9.640 -0.155 5.052 1.00 0.00 C ATOM 442 OD1 ASP A 29 -10.498 -0.167 5.960 1.00 0.00 O ATOM 443 OD2 ASP A 29 -9.891 0.190 3.878 1.00 0.00 O ATOM 0 H ASP A 29 -5.917 -1.993 5.361 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.772 -2.608 5.788 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.001 -0.298 6.422 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.523 -0.034 4.757 1.00 0.00 H new ATOM 448 N THR A 30 -7.236 -3.258 3.265 1.00 0.00 N ATOM 449 CA THR A 30 -7.208 -3.743 1.876 1.00 0.00 C ATOM 450 C THR A 30 -8.369 -3.241 1.020 1.00 0.00 C ATOM 451 O THR A 30 -9.539 -3.455 1.341 1.00 0.00 O ATOM 452 CB THR A 30 -7.187 -5.269 1.846 1.00 0.00 C ATOM 453 OG1 THR A 30 -8.488 -5.794 2.046 1.00 0.00 O ATOM 454 CG2 THR A 30 -6.279 -5.878 2.892 1.00 0.00 C ATOM 0 H THR A 30 -6.449 -3.589 3.823 1.00 0.00 H new ATOM 0 HA THR A 30 -6.295 -3.336 1.442 1.00 0.00 H new ATOM 0 HB THR A 30 -6.803 -5.531 0.860 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.131 -5.058 2.117 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.312 -6.965 2.814 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.257 -5.534 2.732 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.613 -5.575 3.884 1.00 0.00 H new ATOM 462 N ALA A 31 -8.023 -2.596 -0.085 1.00 0.00 N ATOM 463 CA ALA A 31 -9.016 -2.073 -1.013 1.00 0.00 C ATOM 464 C ALA A 31 -9.048 -2.903 -2.293 1.00 0.00 C ATOM 465 O ALA A 31 -8.504 -4.006 -2.341 1.00 0.00 O ATOM 466 CB ALA A 31 -8.725 -0.613 -1.332 1.00 0.00 C ATOM 0 H ALA A 31 -7.057 -2.422 -0.362 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.996 -2.137 -0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.475 -0.236 -2.027 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.754 -0.027 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.737 -0.529 -1.785 1.00 0.00 H new ATOM 472 N LYS A 32 -9.688 -2.370 -3.329 1.00 0.00 N ATOM 473 CA LYS A 32 -9.787 -3.071 -4.606 1.00 0.00 C ATOM 474 C LYS A 32 -9.076 -2.298 -5.713 1.00 0.00 C ATOM 475 O LYS A 32 -8.510 -2.891 -6.631 1.00 0.00 O ATOM 476 CB LYS A 32 -11.253 -3.289 -4.982 1.00 0.00 C ATOM 477 CG LYS A 32 -12.124 -3.701 -3.809 1.00 0.00 C ATOM 478 CD LYS A 32 -13.564 -3.945 -4.236 1.00 0.00 C ATOM 479 CE LYS A 32 -14.174 -2.711 -4.884 1.00 0.00 C ATOM 480 NZ LYS A 32 -14.372 -2.893 -6.349 1.00 0.00 N ATOM 0 H LYS A 32 -10.145 -1.458 -3.310 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.299 -4.039 -4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.650 -2.370 -5.414 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.312 -4.056 -5.755 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.720 -4.607 -3.356 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.098 -2.924 -3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.600 -4.779 -4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.158 -4.232 -3.368 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -15.132 -2.490 -4.413 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.527 -1.852 -4.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.789 -2.030 -6.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.455 -3.079 -6.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.010 -3.697 -6.516 1.00 0.00 H new ATOM 494 N THR A 33 -9.110 -0.974 -5.619 1.00 0.00 N ATOM 495 CA THR A 33 -8.470 -0.121 -6.613 1.00 0.00 C ATOM 496 C THR A 33 -8.269 1.286 -6.063 1.00 0.00 C ATOM 497 O THR A 33 -8.707 1.598 -4.956 1.00 0.00 O ATOM 498 CB THR A 33 -9.312 -0.068 -7.888 1.00 0.00 C ATOM 499 OG1 THR A 33 -10.004 -1.288 -8.085 1.00 0.00 O ATOM 500 CG2 THR A 33 -8.497 0.201 -9.135 1.00 0.00 C ATOM 0 H THR A 33 -9.574 -0.468 -4.865 1.00 0.00 H new ATOM 0 HA THR A 33 -7.494 -0.545 -6.850 1.00 0.00 H new ATOM 0 HB THR A 33 -10.005 0.760 -7.739 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.410 -2.039 -7.876 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.157 0.226 -10.002 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.989 1.161 -9.038 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.757 -0.589 -9.264 1.00 0.00 H new ATOM 508 N LEU A 34 -7.604 2.134 -6.842 1.00 0.00 N ATOM 509 CA LEU A 34 -7.349 3.509 -6.428 1.00 0.00 C ATOM 510 C LEU A 34 -8.652 4.218 -6.077 1.00 0.00 C ATOM 511 O LEU A 34 -8.688 5.065 -5.183 1.00 0.00 O ATOM 512 CB LEU A 34 -6.617 4.270 -7.535 1.00 0.00 C ATOM 513 CG LEU A 34 -5.356 3.584 -8.068 1.00 0.00 C ATOM 514 CD1 LEU A 34 -4.736 4.406 -9.186 1.00 0.00 C ATOM 515 CD2 LEU A 34 -4.353 3.361 -6.944 1.00 0.00 C ATOM 0 H LEU A 34 -7.233 1.894 -7.761 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.719 3.486 -5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.306 4.425 -8.365 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.344 5.256 -7.158 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.637 2.612 -8.473 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.841 3.904 -9.553 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.453 4.512 -10.000 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.469 5.393 -8.807 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.463 2.873 -7.342 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.076 4.321 -6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.801 2.730 -6.177 1.00 0.00 H new ATOM 527 N ARG A 35 -9.723 3.863 -6.779 1.00 0.00 N ATOM 528 CA ARG A 35 -11.028 4.462 -6.532 1.00 0.00 C ATOM 529 C ARG A 35 -11.524 4.105 -5.134 1.00 0.00 C ATOM 530 O ARG A 35 -11.965 4.973 -4.379 1.00 0.00 O ATOM 531 CB ARG A 35 -12.036 3.992 -7.584 1.00 0.00 C ATOM 532 CG ARG A 35 -12.708 5.132 -8.334 1.00 0.00 C ATOM 533 CD ARG A 35 -12.038 5.388 -9.676 1.00 0.00 C ATOM 534 NE ARG A 35 -12.221 4.270 -10.600 1.00 0.00 N ATOM 535 CZ ARG A 35 -13.337 4.057 -11.294 1.00 0.00 C ATOM 536 NH1 ARG A 35 -14.372 4.877 -11.166 1.00 0.00 N ATOM 537 NH2 ARG A 35 -13.417 3.020 -12.116 1.00 0.00 N ATOM 0 H ARG A 35 -9.712 3.165 -7.522 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.928 5.545 -6.600 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.527 3.347 -8.300 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.801 3.387 -7.098 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -13.760 4.895 -8.491 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -12.672 6.038 -7.729 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.448 6.296 -10.119 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.973 5.561 -9.523 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.448 3.615 -10.720 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.315 5.675 -10.534 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.225 4.709 -11.700 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.624 2.386 -12.216 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.272 2.856 -12.648 1.00 0.00 H new ATOM 551 N GLU A 36 -11.444 2.823 -4.796 1.00 0.00 N ATOM 552 CA GLU A 36 -11.879 2.348 -3.489 1.00 0.00 C ATOM 553 C GLU A 36 -10.892 2.767 -2.403 1.00 0.00 C ATOM 554 O GLU A 36 -11.272 2.968 -1.250 1.00 0.00 O ATOM 555 CB GLU A 36 -12.034 0.824 -3.501 1.00 0.00 C ATOM 556 CG GLU A 36 -13.476 0.359 -3.392 1.00 0.00 C ATOM 557 CD GLU A 36 -14.240 0.520 -4.692 1.00 0.00 C ATOM 558 OE1 GLU A 36 -13.707 0.118 -5.748 1.00 0.00 O ATOM 559 OE2 GLU A 36 -15.371 1.049 -4.654 1.00 0.00 O ATOM 0 H GLU A 36 -11.081 2.094 -5.410 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.846 2.800 -3.268 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.603 0.430 -4.421 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.461 0.402 -2.675 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.494 -0.689 -3.091 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.978 0.925 -2.607 1.00 0.00 H new ATOM 566 N ALA A 37 -9.623 2.899 -2.780 1.00 0.00 N ATOM 567 CA ALA A 37 -8.586 3.296 -1.835 1.00 0.00 C ATOM 568 C ALA A 37 -8.686 4.778 -1.504 1.00 0.00 C ATOM 569 O ALA A 37 -8.449 5.186 -0.367 1.00 0.00 O ATOM 570 CB ALA A 37 -7.209 2.963 -2.388 1.00 0.00 C ATOM 0 H ALA A 37 -9.290 2.737 -3.730 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.735 2.735 -0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.446 3.266 -1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.137 1.890 -2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.056 3.495 -3.327 1.00 0.00 H new ATOM 576 N GLU A 38 -9.054 5.581 -2.497 1.00 0.00 N ATOM 577 CA GLU A 38 -9.199 7.014 -2.291 1.00 0.00 C ATOM 578 C GLU A 38 -10.389 7.287 -1.385 1.00 0.00 C ATOM 579 O GLU A 38 -10.324 8.135 -0.496 1.00 0.00 O ATOM 580 CB GLU A 38 -9.374 7.736 -3.626 1.00 0.00 C ATOM 581 CG GLU A 38 -8.097 7.815 -4.446 1.00 0.00 C ATOM 582 CD GLU A 38 -8.351 8.209 -5.890 1.00 0.00 C ATOM 583 OE1 GLU A 38 -9.503 8.565 -6.215 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.397 8.159 -6.694 1.00 0.00 O ATOM 0 H GLU A 38 -9.256 5.265 -3.446 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.294 7.392 -1.815 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.139 7.224 -4.209 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.739 8.746 -3.438 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.421 8.539 -3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.593 6.849 -4.421 1.00 0.00 H new ATOM 591 N LYS A 39 -11.470 6.546 -1.605 1.00 0.00 N ATOM 592 CA LYS A 39 -12.669 6.693 -0.795 1.00 0.00 C ATOM 593 C LYS A 39 -12.371 6.303 0.649 1.00 0.00 C ATOM 594 O LYS A 39 -12.907 6.893 1.587 1.00 0.00 O ATOM 595 CB LYS A 39 -13.799 5.825 -1.357 1.00 0.00 C ATOM 596 CG LYS A 39 -15.025 5.752 -0.458 1.00 0.00 C ATOM 597 CD LYS A 39 -14.934 4.585 0.512 1.00 0.00 C ATOM 598 CE LYS A 39 -16.298 4.219 1.073 1.00 0.00 C ATOM 599 NZ LYS A 39 -16.230 3.034 1.972 1.00 0.00 N ATOM 0 H LYS A 39 -11.538 5.839 -2.337 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.987 7.735 -0.821 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.096 6.218 -2.329 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.421 4.816 -1.523 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.125 6.683 0.100 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.921 5.649 -1.070 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.505 3.721 0.004 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.260 4.842 1.329 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.704 5.068 1.622 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.985 4.013 0.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.085 2.997 2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.166 2.168 1.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.391 3.109 2.582 1.00 0.00 H new ATOM 613 N LYS A 40 -11.504 5.308 0.818 1.00 0.00 N ATOM 614 CA LYS A 40 -11.126 4.843 2.145 1.00 0.00 C ATOM 615 C LYS A 40 -10.141 5.809 2.795 1.00 0.00 C ATOM 616 O LYS A 40 -10.278 6.154 3.968 1.00 0.00 O ATOM 617 CB LYS A 40 -10.514 3.445 2.063 1.00 0.00 C ATOM 618 CG LYS A 40 -11.491 2.380 1.592 1.00 0.00 C ATOM 619 CD LYS A 40 -12.376 1.895 2.729 1.00 0.00 C ATOM 620 CE LYS A 40 -13.611 1.179 2.208 1.00 0.00 C ATOM 621 NZ LYS A 40 -14.533 0.789 3.309 1.00 0.00 N ATOM 0 H LYS A 40 -11.051 4.810 0.052 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.025 4.800 2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.661 3.470 1.384 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.132 3.167 3.045 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.112 2.783 0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.939 1.538 1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.808 1.222 3.372 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.678 2.743 3.343 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -14.137 1.827 1.506 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.309 0.289 1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -15.362 0.304 2.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -14.040 0.151 3.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.842 1.640 3.821 1.00 0.00 H new ATOM 635 N ILE A 41 -9.149 6.245 2.023 1.00 0.00 N ATOM 636 CA ILE A 41 -8.144 7.173 2.528 1.00 0.00 C ATOM 637 C ILE A 41 -8.724 8.576 2.694 1.00 0.00 C ATOM 638 O ILE A 41 -8.248 9.362 3.512 1.00 0.00 O ATOM 639 CB ILE A 41 -6.921 7.235 1.590 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.340 5.835 1.384 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.863 8.175 2.147 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.665 5.652 0.042 1.00 0.00 C ATOM 0 H ILE A 41 -9.021 5.971 1.049 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.826 6.802 3.502 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.246 7.623 0.625 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.619 5.630 2.175 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.139 5.101 1.483 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.009 8.204 1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.282 9.176 2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.539 7.819 3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.277 4.636 -0.034 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.388 5.825 -0.755 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.844 6.362 -0.052 1.00 0.00 H new ATOM 654 N LYS A 42 -9.756 8.883 1.911 1.00 0.00 N ATOM 655 CA LYS A 42 -10.404 10.190 1.970 1.00 0.00 C ATOM 656 C LYS A 42 -10.782 10.561 3.402 1.00 0.00 C ATOM 657 O LYS A 42 -10.891 11.739 3.738 1.00 0.00 O ATOM 658 CB LYS A 42 -11.646 10.205 1.084 1.00 0.00 C ATOM 659 CG LYS A 42 -11.381 10.691 -0.333 1.00 0.00 C ATOM 660 CD LYS A 42 -12.250 11.888 -0.686 1.00 0.00 C ATOM 661 CE LYS A 42 -11.522 13.200 -0.438 1.00 0.00 C ATOM 662 NZ LYS A 42 -11.955 13.844 0.833 1.00 0.00 N ATOM 0 H LYS A 42 -10.161 8.243 1.228 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.692 10.930 1.605 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.063 9.199 1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.401 10.844 1.543 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.330 10.961 -0.435 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.572 9.882 -1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.546 11.828 -1.733 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.165 11.861 -0.094 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.448 13.018 -0.405 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.705 13.880 -1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.436 14.735 0.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.975 14.041 0.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.757 13.206 1.630 1.00 0.00 H new ATOM 676 N GLU A 43 -10.983 9.549 4.241 1.00 0.00 N ATOM 677 CA GLU A 43 -11.350 9.775 5.633 1.00 0.00 C ATOM 678 C GLU A 43 -10.387 9.059 6.576 1.00 0.00 C ATOM 679 O GLU A 43 -9.929 9.634 7.564 1.00 0.00 O ATOM 680 CB GLU A 43 -12.780 9.298 5.888 1.00 0.00 C ATOM 681 CG GLU A 43 -13.804 9.923 4.955 1.00 0.00 C ATOM 682 CD GLU A 43 -14.974 9.001 4.669 1.00 0.00 C ATOM 683 OE1 GLU A 43 -14.860 8.166 3.748 1.00 0.00 O ATOM 684 OE2 GLU A 43 -16.003 9.116 5.367 1.00 0.00 O ATOM 0 H GLU A 43 -10.898 8.566 3.981 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.290 10.846 5.828 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.817 8.214 5.781 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.052 9.526 6.918 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.175 10.848 5.396 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.319 10.190 4.016 1.00 0.00 H new ATOM 691 N LEU A 44 -10.085 7.803 6.265 1.00 0.00 N ATOM 692 CA LEU A 44 -9.178 7.009 7.087 1.00 0.00 C ATOM 693 C LEU A 44 -7.730 7.447 6.879 1.00 0.00 C ATOM 694 O LEU A 44 -7.288 7.651 5.748 1.00 0.00 O ATOM 695 CB LEU A 44 -9.329 5.522 6.756 1.00 0.00 C ATOM 696 CG LEU A 44 -9.614 4.619 7.956 1.00 0.00 C ATOM 697 CD1 LEU A 44 -8.477 4.696 8.963 1.00 0.00 C ATOM 698 CD2 LEU A 44 -10.933 5.003 8.607 1.00 0.00 C ATOM 0 H LEU A 44 -10.455 7.313 5.450 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.438 7.169 8.133 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.137 5.406 6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.415 5.179 6.271 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.690 3.590 7.605 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.697 4.047 9.811 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.550 4.373 8.490 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.368 5.723 9.311 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.121 4.351 9.460 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.884 6.038 8.946 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.741 4.896 7.883 1.00 0.00 H new ATOM 710 N PHE A 45 -6.997 7.589 7.979 1.00 0.00 N ATOM 711 CA PHE A 45 -5.600 8.001 7.919 1.00 0.00 C ATOM 712 C PHE A 45 -4.679 6.787 7.863 1.00 0.00 C ATOM 713 O PHE A 45 -4.331 6.210 8.894 1.00 0.00 O ATOM 714 CB PHE A 45 -5.248 8.866 9.131 1.00 0.00 C ATOM 715 CG PHE A 45 -3.920 9.560 9.010 1.00 0.00 C ATOM 716 CD1 PHE A 45 -3.820 10.786 8.373 1.00 0.00 C ATOM 717 CD2 PHE A 45 -2.773 8.985 9.534 1.00 0.00 C ATOM 718 CE1 PHE A 45 -2.601 11.426 8.260 1.00 0.00 C ATOM 719 CE2 PHE A 45 -1.552 9.620 9.424 1.00 0.00 C ATOM 720 CZ PHE A 45 -1.466 10.843 8.786 1.00 0.00 C ATOM 0 H PHE A 45 -7.348 7.425 8.923 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.458 8.587 7.011 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.028 9.614 9.272 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.242 8.241 10.024 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.705 11.247 7.960 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.835 8.030 10.034 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.536 12.381 7.761 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.665 9.162 9.836 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.512 11.342 8.699 1.00 0.00 H new ATOM 730 N PHE A 46 -4.289 6.402 6.652 1.00 0.00 N ATOM 731 CA PHE A 46 -3.411 5.252 6.463 1.00 0.00 C ATOM 732 C PHE A 46 -1.943 5.676 6.438 1.00 0.00 C ATOM 733 O PHE A 46 -1.507 6.359 5.513 1.00 0.00 O ATOM 734 CB PHE A 46 -3.754 4.531 5.159 1.00 0.00 C ATOM 735 CG PHE A 46 -5.067 3.806 5.195 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.188 2.592 5.853 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.182 4.338 4.567 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.397 1.924 5.886 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.393 3.674 4.596 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.500 2.467 5.257 1.00 0.00 C ATOM 0 H PHE A 46 -4.566 6.868 5.788 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.564 4.576 7.304 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.773 5.258 4.347 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.962 3.818 4.930 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.328 2.163 6.345 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.103 5.282 4.049 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.479 0.979 6.403 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.255 4.099 4.102 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.446 1.947 5.282 1.00 0.00 H new ATOM 750 N PRO A 47 -1.155 5.265 7.448 1.00 0.00 N ATOM 751 CA PRO A 47 0.270 5.598 7.517 1.00 0.00 C ATOM 752 C PRO A 47 1.090 4.802 6.505 1.00 0.00 C ATOM 753 O PRO A 47 2.233 5.144 6.205 1.00 0.00 O ATOM 754 CB PRO A 47 0.655 5.202 8.943 1.00 0.00 C ATOM 755 CG PRO A 47 -0.294 4.113 9.298 1.00 0.00 C ATOM 756 CD PRO A 47 -1.583 4.435 8.589 1.00 0.00 C ATOM 0 HA PRO A 47 0.461 6.646 7.286 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.689 4.860 8.994 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.564 6.046 9.627 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.091 3.143 8.985 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.444 4.063 10.376 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.094 3.531 8.257 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.274 4.972 9.238 1.00 0.00 H new ATOM 764 N VAL A 48 0.494 3.732 5.986 1.00 0.00 N ATOM 765 CA VAL A 48 1.157 2.881 5.013 1.00 0.00 C ATOM 766 C VAL A 48 0.160 2.268 4.037 1.00 0.00 C ATOM 767 O VAL A 48 -0.860 1.714 4.442 1.00 0.00 O ATOM 768 CB VAL A 48 1.911 1.747 5.717 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.914 1.093 4.780 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.588 2.283 6.956 1.00 0.00 C ATOM 0 H VAL A 48 -0.452 3.436 6.227 1.00 0.00 H new ATOM 0 HA VAL A 48 1.856 3.509 4.461 1.00 0.00 H new ATOM 0 HB VAL A 48 1.198 0.978 6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.434 0.292 5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.391 0.681 3.917 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.637 1.837 4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.124 1.476 7.456 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.292 3.067 6.676 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.838 2.694 7.632 1.00 0.00 H new ATOM 780 N ILE A 49 0.473 2.361 2.754 1.00 0.00 N ATOM 781 CA ILE A 49 -0.371 1.806 1.705 1.00 0.00 C ATOM 782 C ILE A 49 0.405 0.751 0.924 1.00 0.00 C ATOM 783 O ILE A 49 1.634 0.705 0.995 1.00 0.00 O ATOM 784 CB ILE A 49 -0.866 2.892 0.727 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.207 4.181 1.479 1.00 0.00 C ATOM 786 CG2 ILE A 49 -2.074 2.392 -0.051 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.236 3.990 2.572 1.00 0.00 C ATOM 0 H ILE A 49 1.316 2.821 2.410 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.241 1.361 2.187 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.065 3.111 0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.296 4.589 1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.577 4.920 0.768 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.412 3.169 -0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.799 1.502 -0.618 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.878 2.146 0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.428 4.945 3.062 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.162 3.612 2.138 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.860 3.276 3.305 1.00 0.00 H new ATOM 799 N VAL A 50 -0.300 -0.094 0.180 1.00 0.00 N ATOM 800 CA VAL A 50 0.358 -1.135 -0.597 1.00 0.00 C ATOM 801 C VAL A 50 -0.429 -1.472 -1.855 1.00 0.00 C ATOM 802 O VAL A 50 -1.393 -2.237 -1.818 1.00 0.00 O ATOM 803 CB VAL A 50 0.561 -2.411 0.237 1.00 0.00 C ATOM 804 CG1 VAL A 50 1.294 -3.478 -0.567 1.00 0.00 C ATOM 805 CG2 VAL A 50 1.319 -2.080 1.509 1.00 0.00 C ATOM 0 H VAL A 50 -1.317 -0.079 0.099 1.00 0.00 H new ATOM 0 HA VAL A 50 1.333 -0.743 -0.887 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.417 -2.812 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.425 -4.370 0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.712 -3.729 -1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.270 -3.099 -0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.460 -2.988 2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.291 -1.659 1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.751 -1.355 2.093 1.00 0.00 H new ATOM 815 N LEU A 51 -0.002 -0.892 -2.966 1.00 0.00 N ATOM 816 CA LEU A 51 -0.653 -1.118 -4.251 1.00 0.00 C ATOM 817 C LEU A 51 -0.171 -2.424 -4.880 1.00 0.00 C ATOM 818 O LEU A 51 0.969 -2.840 -4.676 1.00 0.00 O ATOM 819 CB LEU A 51 -0.379 0.058 -5.193 1.00 0.00 C ATOM 820 CG LEU A 51 -1.045 -0.038 -6.566 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.547 -0.247 -6.422 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.752 1.211 -7.385 1.00 0.00 C ATOM 0 H LEU A 51 0.796 -0.258 -3.005 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.727 -1.196 -4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.712 0.976 -4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.698 0.146 -5.335 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.632 -0.899 -7.091 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.002 -0.313 -7.410 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.735 -1.170 -5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.981 0.592 -5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.233 1.128 -8.360 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.138 2.087 -6.864 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.325 1.314 -7.519 1.00 0.00 H new ATOM 834 N ASP A 52 -1.052 -3.068 -5.641 1.00 0.00 N ATOM 835 CA ASP A 52 -0.724 -4.333 -6.295 1.00 0.00 C ATOM 836 C ASP A 52 -0.555 -4.156 -7.802 1.00 0.00 C ATOM 837 O ASP A 52 0.060 -4.988 -8.465 1.00 0.00 O ATOM 838 CB ASP A 52 -1.811 -5.372 -6.014 1.00 0.00 C ATOM 839 CG ASP A 52 -1.315 -6.793 -6.199 1.00 0.00 C ATOM 840 OD1 ASP A 52 -0.494 -7.248 -5.374 1.00 0.00 O ATOM 841 OD2 ASP A 52 -1.747 -7.451 -7.169 1.00 0.00 O ATOM 0 H ASP A 52 -1.999 -2.735 -5.820 1.00 0.00 H new ATOM 0 HA ASP A 52 0.224 -4.681 -5.886 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.174 -5.247 -4.994 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.658 -5.196 -6.678 1.00 0.00 H new ATOM 846 N VAL A 53 -1.106 -3.069 -8.338 1.00 0.00 N ATOM 847 CA VAL A 53 -1.017 -2.779 -9.769 1.00 0.00 C ATOM 848 C VAL A 53 -1.328 -4.012 -10.620 1.00 0.00 C ATOM 849 O VAL A 53 -0.777 -4.179 -11.707 1.00 0.00 O ATOM 850 CB VAL A 53 0.376 -2.211 -10.150 1.00 0.00 C ATOM 851 CG1 VAL A 53 0.841 -1.203 -9.111 1.00 0.00 C ATOM 852 CG2 VAL A 53 1.419 -3.313 -10.319 1.00 0.00 C ATOM 0 H VAL A 53 -1.621 -2.371 -7.801 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.771 -2.020 -9.979 1.00 0.00 H new ATOM 0 HB VAL A 53 0.269 -1.711 -11.113 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.819 -0.814 -9.393 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.127 -0.382 -9.056 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.911 -1.689 -8.138 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.378 -2.869 -10.585 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.521 -3.864 -9.384 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.103 -3.995 -11.109 1.00 0.00 H new ATOM 862 N TRP A 54 -2.213 -4.871 -10.121 1.00 0.00 N ATOM 863 CA TRP A 54 -2.588 -6.083 -10.844 1.00 0.00 C ATOM 864 C TRP A 54 -3.119 -5.739 -12.235 1.00 0.00 C ATOM 865 O TRP A 54 -2.388 -5.814 -13.222 1.00 0.00 O ATOM 866 CB TRP A 54 -3.635 -6.875 -10.053 1.00 0.00 C ATOM 867 CG TRP A 54 -4.118 -8.100 -10.769 1.00 0.00 C ATOM 868 CD1 TRP A 54 -5.415 -8.449 -11.011 1.00 0.00 C ATOM 869 CD2 TRP A 54 -3.310 -9.137 -11.335 1.00 0.00 C ATOM 870 NE1 TRP A 54 -5.462 -9.641 -11.694 1.00 0.00 N ATOM 871 CE2 TRP A 54 -4.182 -10.083 -11.905 1.00 0.00 C ATOM 872 CE3 TRP A 54 -1.932 -9.356 -11.417 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -3.722 -11.231 -12.546 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -1.475 -10.495 -12.054 1.00 0.00 C ATOM 875 CH2 TRP A 54 -2.368 -11.419 -12.611 1.00 0.00 C ATOM 0 H TRP A 54 -2.682 -4.751 -9.223 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.698 -6.702 -10.960 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.210 -7.168 -9.093 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.486 -6.228 -9.841 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.278 -7.873 -10.710 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.311 -10.119 -11.995 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.237 -8.648 -10.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.408 -11.946 -12.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.412 -10.675 -12.123 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.980 -12.299 -13.102 1.00 0.00 H new ATOM 886 N MET A 55 -4.390 -5.356 -12.305 1.00 0.00 N ATOM 887 CA MET A 55 -5.008 -4.993 -13.574 1.00 0.00 C ATOM 888 C MET A 55 -6.148 -3.996 -13.362 1.00 0.00 C ATOM 889 O MET A 55 -7.289 -4.256 -13.746 1.00 0.00 O ATOM 890 CB MET A 55 -5.530 -6.243 -14.286 1.00 0.00 C ATOM 891 CG MET A 55 -4.428 -7.145 -14.818 1.00 0.00 C ATOM 892 SD MET A 55 -4.891 -7.979 -16.348 1.00 0.00 S ATOM 893 CE MET A 55 -4.443 -6.738 -17.559 1.00 0.00 C ATOM 0 H MET A 55 -5.011 -5.289 -11.498 1.00 0.00 H new ATOM 0 HA MET A 55 -4.249 -4.519 -14.197 1.00 0.00 H new ATOM 0 HB2 MET A 55 -6.152 -6.812 -13.595 1.00 0.00 H new ATOM 0 HB3 MET A 55 -6.170 -5.939 -15.114 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.530 -6.552 -14.990 1.00 0.00 H new ATOM 0 HG3 MET A 55 -4.178 -7.891 -14.063 1.00 0.00 H new ATOM 0 HE1 MET A 55 -4.670 -7.107 -18.559 1.00 0.00 H new ATOM 0 HE2 MET A 55 -5.009 -5.826 -17.372 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.377 -6.525 -17.484 1.00 0.00 H new ATOM 903 N PRO A 56 -5.857 -2.837 -12.742 1.00 0.00 N ATOM 904 CA PRO A 56 -6.851 -1.805 -12.479 1.00 0.00 C ATOM 905 C PRO A 56 -7.021 -0.854 -13.660 1.00 0.00 C ATOM 906 O PRO A 56 -6.723 -1.207 -14.801 1.00 0.00 O ATOM 907 CB PRO A 56 -6.278 -1.057 -11.261 1.00 0.00 C ATOM 908 CG PRO A 56 -4.902 -1.608 -11.034 1.00 0.00 C ATOM 909 CD PRO A 56 -4.545 -2.425 -12.245 1.00 0.00 C ATOM 0 HA PRO A 56 -7.842 -2.226 -12.307 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.241 0.016 -11.447 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.906 -1.207 -10.383 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.184 -0.801 -10.889 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.877 -2.223 -10.134 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.996 -1.840 -12.983 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.920 -3.281 -11.988 1.00 0.00 H new ATOM 917 N ASP A 57 -7.501 0.354 -13.379 1.00 0.00 N ATOM 918 CA ASP A 57 -7.708 1.357 -14.418 1.00 0.00 C ATOM 919 C ASP A 57 -7.718 2.762 -13.825 1.00 0.00 C ATOM 920 O ASP A 57 -8.489 3.622 -14.253 1.00 0.00 O ATOM 921 CB ASP A 57 -9.022 1.095 -15.154 1.00 0.00 C ATOM 922 CG ASP A 57 -9.012 -0.218 -15.910 1.00 0.00 C ATOM 923 OD1 ASP A 57 -8.580 -0.226 -17.082 1.00 0.00 O ATOM 924 OD2 ASP A 57 -9.437 -1.241 -15.330 1.00 0.00 O ATOM 0 H ASP A 57 -7.754 0.662 -12.440 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.882 1.286 -15.125 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.842 1.091 -14.436 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.213 1.911 -15.851 1.00 0.00 H new ATOM 929 N GLY A 58 -6.859 2.991 -12.836 1.00 0.00 N ATOM 930 CA GLY A 58 -6.790 4.295 -12.201 1.00 0.00 C ATOM 931 C GLY A 58 -5.380 4.860 -12.153 1.00 0.00 C ATOM 932 O GLY A 58 -5.169 5.965 -11.653 1.00 0.00 O ATOM 0 H GLY A 58 -6.210 2.298 -12.463 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.435 4.989 -12.739 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.180 4.219 -11.186 1.00 0.00 H new ATOM 936 N ASP A 59 -4.412 4.106 -12.670 1.00 0.00 N ATOM 937 CA ASP A 59 -3.021 4.551 -12.676 1.00 0.00 C ATOM 938 C ASP A 59 -2.535 4.829 -11.257 1.00 0.00 C ATOM 939 O ASP A 59 -2.903 5.834 -10.649 1.00 0.00 O ATOM 940 CB ASP A 59 -2.869 5.807 -13.536 1.00 0.00 C ATOM 941 CG ASP A 59 -3.350 5.595 -14.958 1.00 0.00 C ATOM 942 OD1 ASP A 59 -2.595 5.003 -15.758 1.00 0.00 O ATOM 943 OD2 ASP A 59 -4.481 6.022 -15.272 1.00 0.00 O ATOM 0 H ASP A 59 -4.565 3.188 -13.088 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.411 3.754 -13.101 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.431 6.624 -13.083 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.822 6.110 -13.551 1.00 0.00 H new ATOM 948 N GLY A 60 -1.711 3.928 -10.731 1.00 0.00 N ATOM 949 CA GLY A 60 -1.192 4.092 -9.385 1.00 0.00 C ATOM 950 C GLY A 60 -0.022 5.057 -9.310 1.00 0.00 C ATOM 951 O GLY A 60 0.514 5.304 -8.229 1.00 0.00 O ATOM 0 H GLY A 60 -1.393 3.087 -11.213 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.991 4.448 -8.735 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.879 3.121 -9.002 1.00 0.00 H new ATOM 955 N VAL A 61 0.381 5.603 -10.455 1.00 0.00 N ATOM 956 CA VAL A 61 1.491 6.538 -10.504 1.00 0.00 C ATOM 957 C VAL A 61 1.143 7.844 -9.795 1.00 0.00 C ATOM 958 O VAL A 61 1.730 8.181 -8.768 1.00 0.00 O ATOM 959 CB VAL A 61 1.888 6.839 -11.960 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.099 7.749 -12.004 1.00 0.00 C ATOM 961 CG2 VAL A 61 2.160 5.548 -12.719 1.00 0.00 C ATOM 0 H VAL A 61 -0.048 5.411 -11.360 1.00 0.00 H new ATOM 0 HA VAL A 61 2.332 6.071 -9.991 1.00 0.00 H new ATOM 0 HB VAL A 61 1.056 7.351 -12.444 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.365 7.951 -13.042 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.868 8.687 -11.500 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.937 7.264 -11.502 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.439 5.782 -13.746 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.974 5.007 -12.236 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.262 4.930 -12.719 1.00 0.00 H new ATOM 971 N ASN A 62 0.187 8.578 -10.354 1.00 0.00 N ATOM 972 CA ASN A 62 -0.242 9.837 -9.795 1.00 0.00 C ATOM 973 C ASN A 62 -0.942 9.651 -8.450 1.00 0.00 C ATOM 974 O ASN A 62 -1.147 10.615 -7.712 1.00 0.00 O ATOM 975 CB ASN A 62 -1.181 10.509 -10.786 1.00 0.00 C ATOM 976 CG ASN A 62 -2.334 9.612 -11.190 1.00 0.00 C ATOM 977 OD1 ASN A 62 -3.257 9.380 -10.410 1.00 0.00 O ATOM 978 ND2 ASN A 62 -2.287 9.103 -12.416 1.00 0.00 N ATOM 0 H ASN A 62 -0.306 8.310 -11.206 1.00 0.00 H new ATOM 0 HA ASN A 62 0.635 10.460 -9.617 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.574 11.425 -10.346 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.620 10.798 -11.675 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.036 8.493 -12.744 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.502 9.322 -13.029 1.00 0.00 H new ATOM 985 N PHE A 63 -1.317 8.413 -8.136 1.00 0.00 N ATOM 986 CA PHE A 63 -2.001 8.118 -6.883 1.00 0.00 C ATOM 987 C PHE A 63 -1.116 8.424 -5.678 1.00 0.00 C ATOM 988 O PHE A 63 -1.592 8.923 -4.659 1.00 0.00 O ATOM 989 CB PHE A 63 -2.441 6.654 -6.841 1.00 0.00 C ATOM 990 CG PHE A 63 -3.207 6.304 -5.598 1.00 0.00 C ATOM 991 CD1 PHE A 63 -4.244 7.110 -5.159 1.00 0.00 C ATOM 992 CD2 PHE A 63 -2.886 5.173 -4.864 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.948 6.797 -4.014 1.00 0.00 C ATOM 994 CE2 PHE A 63 -3.586 4.854 -3.715 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.619 5.667 -3.290 1.00 0.00 C ATOM 0 H PHE A 63 -1.158 7.601 -8.732 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.881 8.759 -6.834 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.059 6.442 -7.713 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.561 6.014 -6.910 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.505 7.995 -5.720 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.080 4.534 -5.193 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.755 7.434 -3.684 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.326 3.971 -3.151 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.168 5.420 -2.394 1.00 0.00 H new ATOM 1005 N ILE A 64 0.174 8.119 -5.796 1.00 0.00 N ATOM 1006 CA ILE A 64 1.118 8.362 -4.707 1.00 0.00 C ATOM 1007 C ILE A 64 0.967 9.775 -4.153 1.00 0.00 C ATOM 1008 O ILE A 64 1.143 10.003 -2.956 1.00 0.00 O ATOM 1009 CB ILE A 64 2.575 8.143 -5.165 1.00 0.00 C ATOM 1010 CG1 ILE A 64 2.756 6.715 -5.686 1.00 0.00 C ATOM 1011 CG2 ILE A 64 3.546 8.425 -4.023 1.00 0.00 C ATOM 1012 CD1 ILE A 64 3.256 6.651 -7.111 1.00 0.00 C ATOM 0 H ILE A 64 0.589 7.705 -6.631 1.00 0.00 H new ATOM 0 HA ILE A 64 0.887 7.645 -3.920 1.00 0.00 H new ATOM 0 HB ILE A 64 2.793 8.839 -5.975 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.457 6.187 -5.039 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.803 6.189 -5.620 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.568 8.265 -4.366 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.431 9.458 -3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.334 7.754 -3.191 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.361 5.609 -7.413 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.545 7.150 -7.769 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.224 7.148 -7.180 1.00 0.00 H new ATOM 1024 N ASP A 65 0.628 10.717 -5.026 1.00 0.00 N ATOM 1025 CA ASP A 65 0.443 12.102 -4.614 1.00 0.00 C ATOM 1026 C ASP A 65 -0.814 12.237 -3.765 1.00 0.00 C ATOM 1027 O ASP A 65 -0.869 13.053 -2.851 1.00 0.00 O ATOM 1028 CB ASP A 65 0.356 13.019 -5.836 1.00 0.00 C ATOM 1029 CG ASP A 65 0.231 14.480 -5.454 1.00 0.00 C ATOM 1030 OD1 ASP A 65 -0.800 14.852 -4.856 1.00 0.00 O ATOM 1031 OD2 ASP A 65 1.166 15.254 -5.753 1.00 0.00 O ATOM 0 H ASP A 65 0.476 10.547 -6.020 1.00 0.00 H new ATOM 0 HA ASP A 65 1.304 12.402 -4.017 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.244 12.882 -6.453 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.502 12.730 -6.443 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.818 11.420 -4.063 1.00 0.00 N ATOM 1037 CA PHE A 66 -3.064 11.441 -3.311 1.00 0.00 C ATOM 1038 C PHE A 66 -2.794 11.067 -1.860 1.00 0.00 C ATOM 1039 O PHE A 66 -3.299 11.704 -0.937 1.00 0.00 O ATOM 1040 CB PHE A 66 -4.073 10.470 -3.932 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.378 10.381 -3.187 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -5.446 9.766 -1.947 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -6.537 10.909 -3.733 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -6.643 9.682 -1.264 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -7.739 10.826 -3.054 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.791 10.212 -1.818 1.00 0.00 C ATOM 0 H PHE A 66 -1.792 10.736 -4.819 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.485 12.446 -3.346 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.273 10.778 -4.958 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.625 9.477 -3.978 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.552 9.347 -1.510 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.501 11.390 -4.699 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.681 9.202 -0.297 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.636 11.241 -3.490 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.728 10.147 -1.286 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.979 10.037 -1.665 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.628 9.587 -0.325 1.00 0.00 C ATOM 1058 C ILE A 67 -0.948 10.715 0.447 1.00 0.00 C ATOM 1059 O ILE A 67 -1.268 10.966 1.609 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.702 8.349 -0.369 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.461 7.137 -0.917 1.00 0.00 C ATOM 1062 CG2 ILE A 67 -0.145 8.039 1.016 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.592 7.132 -2.425 1.00 0.00 C ATOM 0 H ILE A 67 -1.550 9.499 -2.418 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.550 9.303 0.183 1.00 0.00 H new ATOM 0 HB ILE A 67 0.134 8.572 -1.033 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.950 6.227 -0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.457 7.113 -0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.503 7.165 0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.428 8.893 1.377 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.968 7.838 1.702 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.141 6.244 -2.740 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.130 8.024 -2.746 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.600 7.124 -2.876 1.00 0.00 H new ATOM 1075 N LYS A 68 -0.019 11.402 -0.211 1.00 0.00 N ATOM 1076 CA LYS A 68 0.688 12.511 0.415 1.00 0.00 C ATOM 1077 C LYS A 68 -0.185 13.767 0.426 1.00 0.00 C ATOM 1078 O LYS A 68 0.028 14.678 1.225 1.00 0.00 O ATOM 1079 CB LYS A 68 2.018 12.771 -0.301 1.00 0.00 C ATOM 1080 CG LYS A 68 1.886 13.566 -1.586 1.00 0.00 C ATOM 1081 CD LYS A 68 2.568 14.921 -1.478 1.00 0.00 C ATOM 1082 CE LYS A 68 2.774 15.552 -2.845 1.00 0.00 C ATOM 1083 NZ LYS A 68 2.596 17.030 -2.807 1.00 0.00 N ATOM 0 H LYS A 68 0.260 11.210 -1.173 1.00 0.00 H new ATOM 0 HA LYS A 68 0.907 12.244 1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.685 13.305 0.377 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.490 11.815 -0.525 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.324 13.002 -2.410 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.831 13.707 -1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.966 15.584 -0.857 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.531 14.806 -0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.775 15.316 -3.207 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.069 15.120 -3.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.745 17.422 -3.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.633 17.256 -2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.286 17.446 -2.149 1.00 0.00 H new ATOM 1097 N GLU A 69 -1.175 13.800 -0.466 1.00 0.00 N ATOM 1098 CA GLU A 69 -2.090 14.932 -0.562 1.00 0.00 C ATOM 1099 C GLU A 69 -2.959 15.031 0.685 1.00 0.00 C ATOM 1100 O GLU A 69 -3.353 16.121 1.097 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.977 14.794 -1.800 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.827 16.024 -2.079 1.00 0.00 C ATOM 1103 CD GLU A 69 -4.588 15.924 -3.387 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -5.358 14.955 -3.553 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -4.413 16.814 -4.245 1.00 0.00 O ATOM 0 H GLU A 69 -1.362 13.052 -1.134 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.496 15.842 -0.647 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.348 14.593 -2.667 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.631 13.931 -1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.534 16.165 -1.262 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.187 16.906 -2.102 1.00 0.00 H new ATOM 1112 N ASN A 70 -3.259 13.880 1.277 1.00 0.00 N ATOM 1113 CA ASN A 70 -4.088 13.826 2.476 1.00 0.00 C ATOM 1114 C ASN A 70 -3.475 12.899 3.526 1.00 0.00 C ATOM 1115 O ASN A 70 -4.160 12.452 4.446 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.507 13.360 2.129 1.00 0.00 C ATOM 1117 CG ASN A 70 -5.553 12.491 0.883 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -5.838 11.295 0.957 1.00 0.00 O ATOM 1119 ND2 ASN A 70 -5.272 13.091 -0.269 1.00 0.00 N ATOM 0 H ASN A 70 -2.940 12.970 0.945 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.138 14.832 2.893 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.917 12.802 2.971 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.145 14.231 1.982 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.287 12.558 -1.139 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.041 14.084 -0.284 1.00 0.00 H new ATOM 1126 N SER A 71 -2.183 12.615 3.383 1.00 0.00 N ATOM 1127 CA SER A 71 -1.481 11.745 4.318 1.00 0.00 C ATOM 1128 C SER A 71 0.030 11.828 4.100 1.00 0.00 C ATOM 1129 O SER A 71 0.652 10.881 3.619 1.00 0.00 O ATOM 1130 CB SER A 71 -1.960 10.299 4.161 1.00 0.00 C ATOM 1131 OG SER A 71 -2.752 9.902 5.267 1.00 0.00 O ATOM 0 H SER A 71 -1.602 12.976 2.627 1.00 0.00 H new ATOM 0 HA SER A 71 -1.702 12.080 5.331 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.538 10.202 3.242 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.100 9.636 4.068 1.00 0.00 H new ATOM 0 HG SER A 71 -2.473 10.399 6.064 1.00 0.00 H new ATOM 1137 N PRO A 72 0.640 12.974 4.451 1.00 0.00 N ATOM 1138 CA PRO A 72 2.081 13.185 4.292 1.00 0.00 C ATOM 1139 C PRO A 72 2.897 12.330 5.249 1.00 0.00 C ATOM 1140 O PRO A 72 4.087 12.097 5.038 1.00 0.00 O ATOM 1141 CB PRO A 72 2.278 14.677 4.607 1.00 0.00 C ATOM 1142 CG PRO A 72 0.906 15.266 4.647 1.00 0.00 C ATOM 1143 CD PRO A 72 -0.020 14.150 5.027 1.00 0.00 C ATOM 0 HA PRO A 72 2.419 12.905 3.294 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.790 14.812 5.560 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.890 15.161 3.845 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.853 16.079 5.371 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.634 15.684 3.678 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.129 14.064 6.108 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.019 14.295 4.617 1.00 0.00 H new ATOM 1151 N ASP A 73 2.242 11.866 6.297 1.00 0.00 N ATOM 1152 CA ASP A 73 2.890 11.030 7.301 1.00 0.00 C ATOM 1153 C ASP A 73 2.604 9.553 7.049 1.00 0.00 C ATOM 1154 O ASP A 73 2.573 8.750 7.982 1.00 0.00 O ATOM 1155 CB ASP A 73 2.423 11.424 8.699 1.00 0.00 C ATOM 1156 CG ASP A 73 3.508 11.246 9.742 1.00 0.00 C ATOM 1157 OD1 ASP A 73 4.409 10.408 9.525 1.00 0.00 O ATOM 1158 OD2 ASP A 73 3.458 11.944 10.776 1.00 0.00 O ATOM 0 H ASP A 73 1.256 12.053 6.479 1.00 0.00 H new ATOM 0 HA ASP A 73 3.966 11.187 7.229 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.098 12.464 8.691 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.557 10.822 8.973 1.00 0.00 H new ATOM 1163 N SER A 74 2.397 9.203 5.785 1.00 0.00 N ATOM 1164 CA SER A 74 2.114 7.822 5.408 1.00 0.00 C ATOM 1165 C SER A 74 3.284 7.225 4.629 1.00 0.00 C ATOM 1166 O SER A 74 4.386 7.774 4.637 1.00 0.00 O ATOM 1167 CB SER A 74 0.834 7.755 4.571 1.00 0.00 C ATOM 1168 OG SER A 74 0.545 6.424 4.180 1.00 0.00 O ATOM 0 H SER A 74 2.420 9.857 5.002 1.00 0.00 H new ATOM 0 HA SER A 74 1.973 7.239 6.318 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.000 8.157 5.146 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.942 8.381 3.685 1.00 0.00 H new ATOM 0 HG SER A 74 -0.359 6.186 4.473 1.00 0.00 H new ATOM 1174 N VAL A 75 3.040 6.108 3.947 1.00 0.00 N ATOM 1175 CA VAL A 75 4.081 5.463 3.160 1.00 0.00 C ATOM 1176 C VAL A 75 3.491 4.639 2.031 1.00 0.00 C ATOM 1177 O VAL A 75 2.512 3.932 2.217 1.00 0.00 O ATOM 1178 CB VAL A 75 4.968 4.542 4.007 1.00 0.00 C ATOM 1179 CG1 VAL A 75 6.117 4.023 3.155 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.480 5.275 5.237 1.00 0.00 C ATOM 0 H VAL A 75 2.136 5.636 3.925 1.00 0.00 H new ATOM 0 HA VAL A 75 4.689 6.273 2.757 1.00 0.00 H new ATOM 0 HB VAL A 75 4.380 3.693 4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.748 3.368 3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.718 3.465 2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.708 4.863 2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.107 4.605 5.825 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.065 6.141 4.927 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.635 5.605 5.842 1.00 0.00 H new ATOM 1190 N VAL A 76 4.084 4.751 0.853 1.00 0.00 N ATOM 1191 CA VAL A 76 3.597 4.018 -0.311 1.00 0.00 C ATOM 1192 C VAL A 76 4.623 3.005 -0.799 1.00 0.00 C ATOM 1193 O VAL A 76 5.666 3.371 -1.340 1.00 0.00 O ATOM 1194 CB VAL A 76 3.232 4.962 -1.476 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.210 4.307 -2.392 1.00 0.00 C ATOM 1196 CG2 VAL A 76 2.711 6.294 -0.955 1.00 0.00 C ATOM 0 H VAL A 76 4.899 5.338 0.675 1.00 0.00 H new ATOM 0 HA VAL A 76 2.697 3.495 0.013 1.00 0.00 H new ATOM 0 HB VAL A 76 4.137 5.157 -2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.964 4.987 -3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.625 3.385 -2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.307 4.079 -1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.461 6.941 -1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.820 6.125 -0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.478 6.771 -0.345 1.00 0.00 H new ATOM 1206 N ILE A 77 4.316 1.727 -0.604 1.00 0.00 N ATOM 1207 CA ILE A 77 5.207 0.656 -1.027 1.00 0.00 C ATOM 1208 C ILE A 77 5.005 0.331 -2.503 1.00 0.00 C ATOM 1209 O ILE A 77 5.931 0.440 -3.304 1.00 0.00 O ATOM 1210 CB ILE A 77 4.987 -0.619 -0.190 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.052 -0.289 1.302 1.00 0.00 C ATOM 1212 CG2 ILE A 77 6.020 -1.676 -0.549 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.380 0.296 1.735 1.00 0.00 C ATOM 0 H ILE A 77 3.457 1.409 -0.156 1.00 0.00 H new ATOM 0 HA ILE A 77 6.227 1.007 -0.873 1.00 0.00 H new ATOM 0 HB ILE A 77 3.998 -1.018 -0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.257 0.416 1.545 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.860 -1.196 1.875 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.850 -2.570 0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.932 -1.927 -1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.020 -1.290 -0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.354 0.505 2.804 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.178 -0.416 1.524 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.566 1.221 1.189 1.00 0.00 H new ATOM 1225 N VAL A 78 3.786 -0.065 -2.859 1.00 0.00 N ATOM 1226 CA VAL A 78 3.467 -0.401 -4.242 1.00 0.00 C ATOM 1227 C VAL A 78 4.410 -1.475 -4.777 1.00 0.00 C ATOM 1228 O VAL A 78 5.454 -1.167 -5.351 1.00 0.00 O ATOM 1229 CB VAL A 78 3.546 0.842 -5.151 1.00 0.00 C ATOM 1230 CG1 VAL A 78 3.164 0.492 -6.583 1.00 0.00 C ATOM 1231 CG2 VAL A 78 2.656 1.954 -4.613 1.00 0.00 C ATOM 0 H VAL A 78 3.005 -0.161 -2.210 1.00 0.00 H new ATOM 0 HA VAL A 78 2.446 -0.783 -4.251 1.00 0.00 H new ATOM 0 HB VAL A 78 4.577 1.197 -5.154 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.227 1.385 -7.205 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.846 -0.267 -6.967 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.145 0.107 -6.604 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.724 2.823 -5.267 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.623 1.608 -4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.983 2.228 -3.610 1.00 0.00 H new ATOM 1241 N ILE A 79 4.032 -2.734 -4.589 1.00 0.00 N ATOM 1242 CA ILE A 79 4.841 -3.854 -5.056 1.00 0.00 C ATOM 1243 C ILE A 79 4.331 -4.333 -6.419 1.00 0.00 C ATOM 1244 O ILE A 79 3.748 -3.553 -7.170 1.00 0.00 O ATOM 1245 CB ILE A 79 4.836 -5.025 -4.039 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.656 -4.502 -2.613 1.00 0.00 C ATOM 1247 CG2 ILE A 79 6.128 -5.826 -4.141 1.00 0.00 C ATOM 1248 CD1 ILE A 79 4.456 -5.598 -1.588 1.00 0.00 C ATOM 0 H ILE A 79 3.170 -3.005 -4.116 1.00 0.00 H new ATOM 0 HA ILE A 79 5.870 -3.508 -5.156 1.00 0.00 H new ATOM 0 HB ILE A 79 3.997 -5.678 -4.279 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.531 -3.913 -2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.798 -3.830 -2.587 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.107 -6.643 -3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.226 -6.232 -5.148 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.977 -5.176 -3.928 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.335 -5.154 -0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.565 -6.173 -1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.324 -6.257 -1.586 1.00 0.00 H new ATOM 1260 N THR A 80 4.541 -5.610 -6.742 1.00 0.00 N ATOM 1261 CA THR A 80 4.086 -6.157 -8.016 1.00 0.00 C ATOM 1262 C THR A 80 4.888 -5.577 -9.177 1.00 0.00 C ATOM 1263 O THR A 80 5.202 -4.387 -9.194 1.00 0.00 O ATOM 1264 CB THR A 80 2.596 -5.872 -8.215 1.00 0.00 C ATOM 1265 OG1 THR A 80 1.971 -5.578 -6.978 1.00 0.00 O ATOM 1266 CG2 THR A 80 1.843 -7.025 -8.843 1.00 0.00 C ATOM 0 H THR A 80 5.021 -6.280 -6.141 1.00 0.00 H new ATOM 0 HA THR A 80 4.242 -7.236 -7.995 1.00 0.00 H new ATOM 0 HB THR A 80 2.555 -5.019 -8.893 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.501 -6.374 -6.652 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.793 -6.756 -8.955 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.268 -7.247 -9.822 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.926 -7.904 -8.204 1.00 0.00 H new ATOM 1274 N GLY A 81 5.216 -6.427 -10.145 1.00 0.00 N ATOM 1275 CA GLY A 81 5.978 -5.983 -11.298 1.00 0.00 C ATOM 1276 C GLY A 81 7.284 -6.736 -11.453 1.00 0.00 C ATOM 1277 O GLY A 81 8.301 -6.155 -11.832 1.00 0.00 O ATOM 0 H GLY A 81 4.967 -7.416 -10.151 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.378 -6.113 -12.199 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.185 -4.917 -11.204 1.00 0.00 H new ATOM 1281 N HIS A 82 7.257 -8.033 -11.161 1.00 0.00 N ATOM 1282 CA HIS A 82 8.449 -8.865 -11.271 1.00 0.00 C ATOM 1283 C HIS A 82 8.838 -9.065 -12.733 1.00 0.00 C ATOM 1284 O HIS A 82 8.688 -10.156 -13.284 1.00 0.00 O ATOM 1285 CB HIS A 82 8.214 -10.221 -10.601 1.00 0.00 C ATOM 1286 CG HIS A 82 6.957 -10.901 -11.050 1.00 0.00 C ATOM 1287 ND1 HIS A 82 6.919 -11.800 -12.094 1.00 0.00 N ATOM 1288 CD2 HIS A 82 5.687 -10.811 -10.587 1.00 0.00 C ATOM 1289 CE1 HIS A 82 5.681 -12.233 -12.255 1.00 0.00 C ATOM 1290 NE2 HIS A 82 4.916 -11.649 -11.352 1.00 0.00 N ATOM 0 H HIS A 82 6.423 -8.529 -10.847 1.00 0.00 H new ATOM 0 HA HIS A 82 9.267 -8.355 -10.763 1.00 0.00 H new ATOM 0 HB2 HIS A 82 9.063 -10.872 -10.809 1.00 0.00 H new ATOM 0 HB3 HIS A 82 8.176 -10.082 -9.521 1.00 0.00 H new ATOM 0 HD1 HIS A 82 7.721 -12.086 -12.655 1.00 0.00 H new ATOM 0 HD2 HIS A 82 5.345 -10.195 -9.769 1.00 0.00 H new ATOM 0 HE1 HIS A 82 5.351 -12.944 -12.999 1.00 0.00 H new ATOM 1299 N GLY A 83 9.337 -8.003 -13.355 1.00 0.00 N ATOM 1300 CA GLY A 83 9.741 -8.080 -14.747 1.00 0.00 C ATOM 1301 C GLY A 83 10.097 -6.723 -15.322 1.00 0.00 C ATOM 1302 O GLY A 83 10.987 -6.615 -16.166 1.00 0.00 O ATOM 0 H GLY A 83 9.469 -7.090 -12.920 1.00 0.00 H new ATOM 0 HA2 GLY A 83 10.599 -8.746 -14.837 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.934 -8.519 -15.333 1.00 0.00 H new ATOM 1306 N SER A 84 9.402 -5.688 -14.864 1.00 0.00 N ATOM 1307 CA SER A 84 9.649 -4.331 -15.337 1.00 0.00 C ATOM 1308 C SER A 84 9.832 -3.372 -14.165 1.00 0.00 C ATOM 1309 O SER A 84 8.868 -3.016 -13.487 1.00 0.00 O ATOM 1310 CB SER A 84 8.496 -3.858 -16.223 1.00 0.00 C ATOM 1311 OG SER A 84 8.527 -4.498 -17.487 1.00 0.00 O ATOM 0 H SER A 84 8.663 -5.763 -14.165 1.00 0.00 H new ATOM 0 HA SER A 84 10.568 -4.339 -15.924 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.546 -4.065 -15.730 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.556 -2.778 -16.357 1.00 0.00 H new ATOM 0 HG SER A 84 7.779 -4.179 -18.033 1.00 0.00 H new ATOM 1317 N VAL A 85 11.073 -2.959 -13.933 1.00 0.00 N ATOM 1318 CA VAL A 85 11.381 -2.040 -12.843 1.00 0.00 C ATOM 1319 C VAL A 85 11.088 -0.590 -13.230 1.00 0.00 C ATOM 1320 O VAL A 85 11.288 0.324 -12.430 1.00 0.00 O ATOM 1321 CB VAL A 85 12.857 -2.160 -12.413 1.00 0.00 C ATOM 1322 CG1 VAL A 85 13.785 -1.792 -13.563 1.00 0.00 C ATOM 1323 CG2 VAL A 85 13.132 -1.291 -11.194 1.00 0.00 C ATOM 0 H VAL A 85 11.882 -3.246 -14.485 1.00 0.00 H new ATOM 0 HA VAL A 85 10.739 -2.318 -12.007 1.00 0.00 H new ATOM 0 HB VAL A 85 13.052 -3.197 -12.141 1.00 0.00 H new ATOM 0 HG11 VAL A 85 14.821 -1.883 -13.238 1.00 0.00 H new ATOM 0 HG12 VAL A 85 13.608 -2.464 -14.403 1.00 0.00 H new ATOM 0 HG13 VAL A 85 13.591 -0.765 -13.873 1.00 0.00 H new ATOM 0 HG21 VAL A 85 14.179 -1.389 -10.906 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.918 -0.250 -11.434 1.00 0.00 H new ATOM 0 HG23 VAL A 85 12.497 -1.611 -10.368 1.00 0.00 H new ATOM 1333 N ASP A 86 10.615 -0.382 -14.457 1.00 0.00 N ATOM 1334 CA ASP A 86 10.301 0.959 -14.936 1.00 0.00 C ATOM 1335 C ASP A 86 9.035 1.507 -14.278 1.00 0.00 C ATOM 1336 O ASP A 86 8.715 2.687 -14.425 1.00 0.00 O ATOM 1337 CB ASP A 86 10.140 0.956 -16.457 1.00 0.00 C ATOM 1338 CG ASP A 86 11.358 0.399 -17.167 1.00 0.00 C ATOM 1339 OD1 ASP A 86 11.432 -0.836 -17.339 1.00 0.00 O ATOM 1340 OD2 ASP A 86 12.237 1.198 -17.553 1.00 0.00 O ATOM 0 H ASP A 86 10.442 -1.124 -15.135 1.00 0.00 H new ATOM 0 HA ASP A 86 11.132 1.610 -14.664 1.00 0.00 H new ATOM 0 HB2 ASP A 86 9.265 0.365 -16.726 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.956 1.973 -16.802 1.00 0.00 H new ATOM 1345 N THR A 87 8.323 0.656 -13.542 1.00 0.00 N ATOM 1346 CA THR A 87 7.107 1.082 -12.860 1.00 0.00 C ATOM 1347 C THR A 87 7.448 1.591 -11.466 1.00 0.00 C ATOM 1348 O THR A 87 6.893 2.588 -11.002 1.00 0.00 O ATOM 1349 CB THR A 87 6.089 -0.066 -12.789 1.00 0.00 C ATOM 1350 OG1 THR A 87 4.766 0.441 -12.791 1.00 0.00 O ATOM 1351 CG2 THR A 87 6.236 -0.947 -11.562 1.00 0.00 C ATOM 0 H THR A 87 8.566 -0.325 -13.404 1.00 0.00 H new ATOM 0 HA THR A 87 6.652 1.893 -13.428 1.00 0.00 H new ATOM 0 HB THR A 87 6.291 -0.674 -13.671 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.130 -0.304 -12.747 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.481 -1.733 -11.586 1.00 0.00 H new ATOM 0 HG22 THR A 87 7.229 -1.397 -11.554 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.104 -0.344 -10.663 1.00 0.00 H new ATOM 1359 N ALA A 88 8.383 0.910 -10.814 1.00 0.00 N ATOM 1360 CA ALA A 88 8.824 1.301 -9.484 1.00 0.00 C ATOM 1361 C ALA A 88 9.315 2.738 -9.502 1.00 0.00 C ATOM 1362 O ALA A 88 8.802 3.598 -8.787 1.00 0.00 O ATOM 1363 CB ALA A 88 9.929 0.374 -9.004 1.00 0.00 C ATOM 0 H ALA A 88 8.850 0.083 -11.187 1.00 0.00 H new ATOM 0 HA ALA A 88 7.982 1.225 -8.796 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.251 0.677 -8.008 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.556 -0.650 -8.969 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.774 0.429 -9.690 1.00 0.00 H new ATOM 1369 N VAL A 89 10.308 2.987 -10.347 1.00 0.00 N ATOM 1370 CA VAL A 89 10.878 4.319 -10.490 1.00 0.00 C ATOM 1371 C VAL A 89 9.793 5.339 -10.825 1.00 0.00 C ATOM 1372 O VAL A 89 9.886 6.508 -10.448 1.00 0.00 O ATOM 1373 CB VAL A 89 11.962 4.346 -11.587 1.00 0.00 C ATOM 1374 CG1 VAL A 89 13.039 3.314 -11.294 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.347 4.107 -12.959 1.00 0.00 C ATOM 0 H VAL A 89 10.736 2.280 -10.945 1.00 0.00 H new ATOM 0 HA VAL A 89 11.336 4.582 -9.536 1.00 0.00 H new ATOM 0 HB VAL A 89 12.423 5.334 -11.590 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.796 3.346 -12.077 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.502 3.535 -10.332 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.592 2.320 -11.262 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.129 4.130 -13.718 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.857 3.134 -12.973 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.614 4.886 -13.170 1.00 0.00 H new ATOM 1385 N LYS A 90 8.763 4.884 -11.533 1.00 0.00 N ATOM 1386 CA LYS A 90 7.654 5.751 -11.918 1.00 0.00 C ATOM 1387 C LYS A 90 6.713 5.999 -10.739 1.00 0.00 C ATOM 1388 O LYS A 90 5.766 6.779 -10.847 1.00 0.00 O ATOM 1389 CB LYS A 90 6.879 5.124 -13.081 1.00 0.00 C ATOM 1390 CG LYS A 90 5.641 5.911 -13.490 1.00 0.00 C ATOM 1391 CD LYS A 90 5.013 5.346 -14.757 1.00 0.00 C ATOM 1392 CE LYS A 90 5.220 6.271 -15.947 1.00 0.00 C ATOM 1393 NZ LYS A 90 5.770 5.546 -17.126 1.00 0.00 N ATOM 0 H LYS A 90 8.673 3.919 -11.852 1.00 0.00 H new ATOM 0 HA LYS A 90 8.066 6.710 -12.232 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.542 5.035 -13.941 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.580 4.113 -12.803 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.911 5.890 -12.681 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.909 6.955 -13.650 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.447 4.370 -14.975 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.946 5.192 -14.597 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.271 6.734 -16.216 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.899 7.076 -15.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.896 6.212 -17.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.688 5.125 -16.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.110 4.794 -17.410 1.00 0.00 H new ATOM 1407 N ALA A 91 6.967 5.327 -9.618 1.00 0.00 N ATOM 1408 CA ALA A 91 6.128 5.478 -8.437 1.00 0.00 C ATOM 1409 C ALA A 91 6.923 5.995 -7.240 1.00 0.00 C ATOM 1410 O ALA A 91 6.419 6.795 -6.453 1.00 0.00 O ATOM 1411 CB ALA A 91 5.464 4.152 -8.097 1.00 0.00 C ATOM 0 H ALA A 91 7.744 4.676 -9.505 1.00 0.00 H new ATOM 0 HA ALA A 91 5.361 6.218 -8.665 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.839 4.274 -7.213 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.847 3.828 -8.935 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.230 3.402 -7.899 1.00 0.00 H new ATOM 1417 N ILE A 92 8.159 5.527 -7.103 1.00 0.00 N ATOM 1418 CA ILE A 92 9.007 5.942 -5.991 1.00 0.00 C ATOM 1419 C ILE A 92 9.518 7.368 -6.181 1.00 0.00 C ATOM 1420 O ILE A 92 9.671 8.116 -5.216 1.00 0.00 O ATOM 1421 CB ILE A 92 10.200 4.980 -5.797 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.269 5.212 -6.869 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.721 3.534 -5.826 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.445 4.261 -6.769 1.00 0.00 C ATOM 0 H ILE A 92 8.594 4.864 -7.744 1.00 0.00 H new ATOM 0 HA ILE A 92 8.388 5.910 -5.094 1.00 0.00 H new ATOM 0 HB ILE A 92 10.648 5.181 -4.824 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.813 5.110 -7.854 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.633 6.236 -6.791 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.571 2.866 -5.688 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.000 3.373 -5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.249 3.326 -6.786 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.162 4.484 -7.559 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.927 4.379 -5.798 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.093 3.235 -6.877 1.00 0.00 H new ATOM 1436 N LYS A 93 9.773 7.740 -7.430 1.00 0.00 N ATOM 1437 CA LYS A 93 10.260 9.079 -7.740 1.00 0.00 C ATOM 1438 C LYS A 93 9.208 10.134 -7.403 1.00 0.00 C ATOM 1439 O LYS A 93 9.525 11.318 -7.274 1.00 0.00 O ATOM 1440 CB LYS A 93 10.642 9.176 -9.217 1.00 0.00 C ATOM 1441 CG LYS A 93 11.715 10.216 -9.500 1.00 0.00 C ATOM 1442 CD LYS A 93 12.067 10.266 -10.978 1.00 0.00 C ATOM 1443 CE LYS A 93 13.360 9.523 -11.271 1.00 0.00 C ATOM 1444 NZ LYS A 93 14.506 10.455 -11.458 1.00 0.00 N ATOM 0 H LYS A 93 9.651 7.135 -8.242 1.00 0.00 H new ATOM 0 HA LYS A 93 11.144 9.267 -7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.993 8.202 -9.558 1.00 0.00 H new ATOM 0 HB3 LYS A 93 9.752 9.416 -9.799 1.00 0.00 H new ATOM 0 HG2 LYS A 93 11.368 11.196 -9.174 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.608 9.986 -8.920 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.256 9.829 -11.561 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.164 11.305 -11.295 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.579 8.838 -10.452 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.235 8.917 -12.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.369 9.909 -11.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.309 11.092 -12.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.642 11.016 -10.593 1.00 0.00 H new ATOM 1458 N LYS A 94 7.958 9.702 -7.261 1.00 0.00 N ATOM 1459 CA LYS A 94 6.867 10.613 -6.940 1.00 0.00 C ATOM 1460 C LYS A 94 6.753 10.822 -5.432 1.00 0.00 C ATOM 1461 O LYS A 94 6.804 11.952 -4.948 1.00 0.00 O ATOM 1462 CB LYS A 94 5.550 10.077 -7.495 1.00 0.00 C ATOM 1463 CG LYS A 94 4.645 11.158 -8.061 1.00 0.00 C ATOM 1464 CD LYS A 94 4.828 11.307 -9.561 1.00 0.00 C ATOM 1465 CE LYS A 94 3.615 11.956 -10.209 1.00 0.00 C ATOM 1466 NZ LYS A 94 3.401 11.471 -11.601 1.00 0.00 N ATOM 0 H LYS A 94 7.677 8.727 -7.363 1.00 0.00 H new ATOM 0 HA LYS A 94 7.083 11.576 -7.403 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.764 9.348 -8.277 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.020 9.548 -6.703 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.605 10.915 -7.843 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.860 12.108 -7.571 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.715 11.908 -9.762 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.999 10.327 -10.007 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.728 11.745 -9.611 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.744 13.038 -10.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.230 12.282 -12.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.245 10.956 -11.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.578 10.836 -11.625 1.00 0.00 H new ATOM 1480 N GLY A 95 6.597 9.726 -4.695 1.00 0.00 N ATOM 1481 CA GLY A 95 6.479 9.818 -3.250 1.00 0.00 C ATOM 1482 C GLY A 95 6.266 8.470 -2.584 1.00 0.00 C ATOM 1483 O GLY A 95 5.597 8.382 -1.554 1.00 0.00 O ATOM 0 H GLY A 95 6.550 8.779 -5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.381 10.278 -2.846 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.647 10.476 -3.000 1.00 0.00 H new ATOM 1487 N ALA A 96 6.834 7.417 -3.166 1.00 0.00 N ATOM 1488 CA ALA A 96 6.696 6.074 -2.609 1.00 0.00 C ATOM 1489 C ALA A 96 7.821 5.763 -1.623 1.00 0.00 C ATOM 1490 O ALA A 96 8.497 6.668 -1.133 1.00 0.00 O ATOM 1491 CB ALA A 96 6.651 5.037 -3.720 1.00 0.00 C ATOM 0 H ALA A 96 7.391 7.467 -4.019 1.00 0.00 H new ATOM 0 HA ALA A 96 5.755 6.034 -2.061 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.548 4.043 -3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.801 5.238 -4.371 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.572 5.086 -4.301 1.00 0.00 H new ATOM 1497 N TYR A 97 8.011 4.478 -1.332 1.00 0.00 N ATOM 1498 CA TYR A 97 9.047 4.049 -0.399 1.00 0.00 C ATOM 1499 C TYR A 97 10.157 3.278 -1.114 1.00 0.00 C ATOM 1500 O TYR A 97 10.878 2.497 -0.496 1.00 0.00 O ATOM 1501 CB TYR A 97 8.427 3.186 0.699 1.00 0.00 C ATOM 1502 CG TYR A 97 9.406 2.755 1.768 1.00 0.00 C ATOM 1503 CD1 TYR A 97 9.867 3.656 2.719 1.00 0.00 C ATOM 1504 CD2 TYR A 97 9.866 1.445 1.827 1.00 0.00 C ATOM 1505 CE1 TYR A 97 10.759 3.264 3.699 1.00 0.00 C ATOM 1506 CE2 TYR A 97 10.758 1.046 2.803 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.201 1.958 3.736 1.00 0.00 C ATOM 1508 OH TYR A 97 12.089 1.564 4.711 1.00 0.00 O ATOM 0 H TYR A 97 7.461 3.717 -1.729 1.00 0.00 H new ATOM 0 HA TYR A 97 9.494 4.938 0.047 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.614 3.741 1.167 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.987 2.298 0.244 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.523 4.679 2.692 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.520 0.727 1.098 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.108 3.976 4.432 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.107 0.024 2.835 1.00 0.00 H new ATOM 0 HH TYR A 97 12.299 0.614 4.597 1.00 0.00 H new ATOM 1518 N GLU A 98 10.288 3.520 -2.417 1.00 0.00 N ATOM 1519 CA GLU A 98 11.312 2.874 -3.249 1.00 0.00 C ATOM 1520 C GLU A 98 10.865 1.494 -3.738 1.00 0.00 C ATOM 1521 O GLU A 98 11.691 0.671 -4.132 1.00 0.00 O ATOM 1522 CB GLU A 98 12.657 2.781 -2.503 1.00 0.00 C ATOM 1523 CG GLU A 98 12.924 1.437 -1.832 1.00 0.00 C ATOM 1524 CD GLU A 98 13.703 1.577 -0.539 1.00 0.00 C ATOM 1525 OE1 GLU A 98 13.525 2.601 0.154 1.00 0.00 O ATOM 1526 OE2 GLU A 98 14.489 0.661 -0.218 1.00 0.00 O ATOM 0 H GLU A 98 9.690 4.168 -2.929 1.00 0.00 H new ATOM 0 HA GLU A 98 11.452 3.502 -4.129 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.463 2.986 -3.208 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.691 3.563 -1.745 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.975 0.942 -1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.478 0.796 -2.518 1.00 0.00 H new ATOM 1533 N PHE A 99 9.558 1.251 -3.729 1.00 0.00 N ATOM 1534 CA PHE A 99 9.018 -0.026 -4.188 1.00 0.00 C ATOM 1535 C PHE A 99 9.591 -1.195 -3.388 1.00 0.00 C ATOM 1536 O PHE A 99 10.607 -1.060 -2.709 1.00 0.00 O ATOM 1537 CB PHE A 99 9.325 -0.219 -5.676 1.00 0.00 C ATOM 1538 CG PHE A 99 8.103 -0.228 -6.553 1.00 0.00 C ATOM 1539 CD1 PHE A 99 7.180 0.803 -6.490 1.00 0.00 C ATOM 1540 CD2 PHE A 99 7.883 -1.267 -7.444 1.00 0.00 C ATOM 1541 CE1 PHE A 99 6.059 0.799 -7.299 1.00 0.00 C ATOM 1542 CE2 PHE A 99 6.766 -1.276 -8.256 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.852 -0.242 -8.184 1.00 0.00 C ATOM 0 H PHE A 99 8.855 1.918 -3.410 1.00 0.00 H new ATOM 0 HA PHE A 99 7.939 -0.007 -4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.991 0.578 -6.006 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.862 -1.158 -5.808 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.338 1.619 -5.801 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.593 -2.079 -7.504 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.346 1.608 -7.239 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.607 -2.091 -8.947 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.978 -0.247 -8.818 1.00 0.00 H new ATOM 1553 N LEU A 100 8.927 -2.343 -3.485 1.00 0.00 N ATOM 1554 CA LEU A 100 9.353 -3.544 -2.788 1.00 0.00 C ATOM 1555 C LEU A 100 9.745 -4.632 -3.785 1.00 0.00 C ATOM 1556 O LEU A 100 8.956 -5.527 -4.083 1.00 0.00 O ATOM 1557 CB LEU A 100 8.229 -4.044 -1.883 1.00 0.00 C ATOM 1558 CG LEU A 100 8.664 -5.037 -0.810 1.00 0.00 C ATOM 1559 CD1 LEU A 100 9.125 -6.334 -1.448 1.00 0.00 C ATOM 1560 CD2 LEU A 100 9.769 -4.436 0.038 1.00 0.00 C ATOM 0 H LEU A 100 8.084 -2.463 -4.046 1.00 0.00 H new ATOM 0 HA LEU A 100 10.224 -3.304 -2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.764 -3.186 -1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.464 -4.512 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 100 7.812 -5.256 -0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.432 -7.033 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.307 -6.768 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 100 9.968 -6.134 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 100 10.073 -5.153 0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 100 10.623 -4.196 -0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 100 9.406 -3.527 0.518 1.00 0.00 H new ATOM 1572 N GLU A 101 10.966 -4.544 -4.303 1.00 0.00 N ATOM 1573 CA GLU A 101 11.455 -5.520 -5.271 1.00 0.00 C ATOM 1574 C GLU A 101 12.626 -6.318 -4.707 1.00 0.00 C ATOM 1575 O GLU A 101 13.711 -5.779 -4.492 1.00 0.00 O ATOM 1576 CB GLU A 101 11.880 -4.816 -6.562 1.00 0.00 C ATOM 1577 CG GLU A 101 13.055 -3.869 -6.380 1.00 0.00 C ATOM 1578 CD GLU A 101 12.811 -2.509 -7.005 1.00 0.00 C ATOM 1579 OE1 GLU A 101 12.861 -2.410 -8.249 1.00 0.00 O ATOM 1580 OE2 GLU A 101 12.571 -1.543 -6.249 1.00 0.00 O ATOM 0 H GLU A 101 11.634 -3.809 -4.070 1.00 0.00 H new ATOM 0 HA GLU A 101 10.642 -6.213 -5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.142 -5.568 -7.307 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.032 -4.257 -6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.255 -3.745 -5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.947 -4.313 -6.822 1.00 0.00 H new ATOM 1587 N LYS A 102 12.397 -7.610 -4.480 1.00 0.00 N ATOM 1588 CA LYS A 102 13.432 -8.495 -3.949 1.00 0.00 C ATOM 1589 C LYS A 102 12.882 -9.905 -3.721 1.00 0.00 C ATOM 1590 O LYS A 102 13.438 -10.880 -4.226 1.00 0.00 O ATOM 1591 CB LYS A 102 14.016 -7.932 -2.647 1.00 0.00 C ATOM 1592 CG LYS A 102 15.051 -8.838 -1.995 1.00 0.00 C ATOM 1593 CD LYS A 102 16.425 -8.659 -2.625 1.00 0.00 C ATOM 1594 CE LYS A 102 17.393 -7.979 -1.670 1.00 0.00 C ATOM 1595 NZ LYS A 102 16.865 -6.677 -1.175 1.00 0.00 N ATOM 0 H LYS A 102 11.503 -8.068 -4.656 1.00 0.00 H new ATOM 0 HA LYS A 102 14.231 -8.555 -4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 102 14.473 -6.964 -2.853 1.00 0.00 H new ATOM 0 HB3 LYS A 102 13.204 -7.757 -1.941 1.00 0.00 H new ATOM 0 HG2 LYS A 102 15.107 -8.619 -0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 102 14.738 -9.878 -2.091 1.00 0.00 H new ATOM 0 HD2 LYS A 102 16.822 -9.631 -2.916 1.00 0.00 H new ATOM 0 HD3 LYS A 102 16.334 -8.067 -3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 102 17.589 -8.637 -0.823 1.00 0.00 H new ATOM 0 HE3 LYS A 102 18.346 -7.816 -2.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 17.656 -6.077 -0.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.347 -6.199 -1.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 16.223 -6.845 -0.374 1.00 0.00 H new ATOM 1609 N PRO A 103 11.781 -10.039 -2.955 1.00 0.00 N ATOM 1610 CA PRO A 103 11.175 -11.342 -2.674 1.00 0.00 C ATOM 1611 C PRO A 103 10.286 -11.832 -3.811 1.00 0.00 C ATOM 1612 O PRO A 103 10.298 -11.274 -4.909 1.00 0.00 O ATOM 1613 CB PRO A 103 10.339 -11.062 -1.430 1.00 0.00 C ATOM 1614 CG PRO A 103 9.911 -9.645 -1.589 1.00 0.00 C ATOM 1615 CD PRO A 103 11.039 -8.941 -2.300 1.00 0.00 C ATOM 0 HA PRO A 103 11.922 -12.125 -2.547 1.00 0.00 H new ATOM 0 HB2 PRO A 103 9.482 -11.732 -1.367 1.00 0.00 H new ATOM 0 HB3 PRO A 103 10.921 -11.202 -0.519 1.00 0.00 H new ATOM 0 HG2 PRO A 103 8.988 -9.580 -2.164 1.00 0.00 H new ATOM 0 HG3 PRO A 103 9.716 -9.186 -0.620 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.666 -8.220 -3.028 1.00 0.00 H new ATOM 0 HD3 PRO A 103 11.671 -8.391 -1.602 1.00 0.00 H new ATOM 1623 N PHE A 104 9.510 -12.877 -3.538 1.00 0.00 N ATOM 1624 CA PHE A 104 8.608 -13.443 -4.535 1.00 0.00 C ATOM 1625 C PHE A 104 7.333 -13.966 -3.879 1.00 0.00 C ATOM 1626 O PHE A 104 6.670 -14.855 -4.413 1.00 0.00 O ATOM 1627 CB PHE A 104 9.300 -14.573 -5.299 1.00 0.00 C ATOM 1628 CG PHE A 104 10.202 -14.090 -6.399 1.00 0.00 C ATOM 1629 CD1 PHE A 104 9.674 -13.658 -7.605 1.00 0.00 C ATOM 1630 CD2 PHE A 104 11.576 -14.067 -6.226 1.00 0.00 C ATOM 1631 CE1 PHE A 104 10.501 -13.213 -8.620 1.00 0.00 C ATOM 1632 CE2 PHE A 104 12.408 -13.623 -7.237 1.00 0.00 C ATOM 1633 CZ PHE A 104 11.870 -13.195 -8.435 1.00 0.00 C ATOM 0 H PHE A 104 9.488 -13.349 -2.634 1.00 0.00 H new ATOM 0 HA PHE A 104 8.339 -12.652 -5.235 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.883 -15.170 -4.598 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.542 -15.230 -5.724 1.00 0.00 H new ATOM 0 HD1 PHE A 104 8.604 -13.669 -7.754 1.00 0.00 H new ATOM 0 HD2 PHE A 104 12.002 -14.400 -5.291 1.00 0.00 H new ATOM 0 HE1 PHE A 104 10.077 -12.880 -9.556 1.00 0.00 H new ATOM 0 HE2 PHE A 104 13.478 -13.611 -7.090 1.00 0.00 H new ATOM 0 HZ PHE A 104 12.518 -12.847 -9.226 1.00 0.00 H new ATOM 1643 N SER A 105 6.992 -13.408 -2.721 1.00 0.00 N ATOM 1644 CA SER A 105 5.795 -13.820 -1.998 1.00 0.00 C ATOM 1645 C SER A 105 5.209 -12.655 -1.202 1.00 0.00 C ATOM 1646 O SER A 105 4.306 -11.965 -1.676 1.00 0.00 O ATOM 1647 CB SER A 105 6.113 -14.993 -1.067 1.00 0.00 C ATOM 1648 OG SER A 105 5.035 -15.249 -0.181 1.00 0.00 O ATOM 0 H SER A 105 7.528 -12.670 -2.264 1.00 0.00 H new ATOM 0 HA SER A 105 5.052 -14.141 -2.728 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.321 -15.885 -1.658 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.014 -14.773 -0.494 1.00 0.00 H new ATOM 0 HG SER A 105 5.262 -16.004 0.402 1.00 0.00 H new ATOM 1654 N VAL A 106 5.725 -12.437 0.007 1.00 0.00 N ATOM 1655 CA VAL A 106 5.247 -11.353 0.859 1.00 0.00 C ATOM 1656 C VAL A 106 5.977 -11.338 2.200 1.00 0.00 C ATOM 1657 O VAL A 106 6.289 -10.273 2.733 1.00 0.00 O ATOM 1658 CB VAL A 106 3.730 -11.466 1.113 1.00 0.00 C ATOM 1659 CG1 VAL A 106 3.399 -12.763 1.836 1.00 0.00 C ATOM 1660 CG2 VAL A 106 3.231 -10.265 1.901 1.00 0.00 C ATOM 0 H VAL A 106 6.473 -12.997 0.417 1.00 0.00 H new ATOM 0 HA VAL A 106 5.452 -10.423 0.329 1.00 0.00 H new ATOM 0 HB VAL A 106 3.221 -11.478 0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.324 -12.821 2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.717 -13.610 1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.918 -12.788 2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.159 -10.361 2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.748 -10.219 2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.428 -9.353 1.338 1.00 0.00 H new ATOM 1670 N GLU A 107 6.236 -12.525 2.745 1.00 0.00 N ATOM 1671 CA GLU A 107 6.919 -12.661 4.028 1.00 0.00 C ATOM 1672 C GLU A 107 8.070 -11.665 4.170 1.00 0.00 C ATOM 1673 O GLU A 107 8.273 -11.086 5.237 1.00 0.00 O ATOM 1674 CB GLU A 107 7.443 -14.084 4.190 1.00 0.00 C ATOM 1675 CG GLU A 107 7.700 -14.470 5.633 1.00 0.00 C ATOM 1676 CD GLU A 107 8.149 -15.910 5.782 1.00 0.00 C ATOM 1677 OE1 GLU A 107 7.301 -16.815 5.634 1.00 0.00 O ATOM 1678 OE2 GLU A 107 9.350 -16.133 6.046 1.00 0.00 O ATOM 0 H GLU A 107 5.980 -13.413 2.313 1.00 0.00 H new ATOM 0 HA GLU A 107 6.194 -12.444 4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 107 6.723 -14.780 3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.368 -14.189 3.623 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.461 -13.811 6.051 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.791 -14.315 6.214 1.00 0.00 H new ATOM 1685 N ARG A 108 8.818 -11.468 3.089 1.00 0.00 N ATOM 1686 CA ARG A 108 9.942 -10.539 3.100 1.00 0.00 C ATOM 1687 C ARG A 108 9.451 -9.097 3.177 1.00 0.00 C ATOM 1688 O ARG A 108 10.037 -8.267 3.872 1.00 0.00 O ATOM 1689 CB ARG A 108 10.805 -10.732 1.853 1.00 0.00 C ATOM 1690 CG ARG A 108 12.297 -10.614 2.123 1.00 0.00 C ATOM 1691 CD ARG A 108 13.087 -11.695 1.403 1.00 0.00 C ATOM 1692 NE ARG A 108 13.857 -12.520 2.330 1.00 0.00 N ATOM 1693 CZ ARG A 108 13.336 -13.512 3.049 1.00 0.00 C ATOM 1694 NH1 ARG A 108 12.044 -13.801 2.956 1.00 0.00 N ATOM 1695 NH2 ARG A 108 14.108 -14.216 3.865 1.00 0.00 N ATOM 0 H ARG A 108 8.667 -11.938 2.197 1.00 0.00 H new ATOM 0 HA ARG A 108 10.546 -10.747 3.983 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.598 -11.713 1.426 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.520 -9.992 1.105 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.648 -9.633 1.803 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.479 -10.684 3.195 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.403 -12.328 0.837 1.00 0.00 H new ATOM 0 HD3 ARG A 108 13.762 -11.232 0.683 1.00 0.00 H new ATOM 0 HE ARG A 108 14.853 -12.325 2.433 1.00 0.00 H new ATOM 0 HH11 ARG A 108 11.445 -13.262 2.331 1.00 0.00 H new ATOM 0 HH12 ARG A 108 11.651 -14.562 3.509 1.00 0.00 H new ATOM 0 HH21 ARG A 108 15.101 -13.998 3.942 1.00 0.00 H new ATOM 0 HH22 ARG A 108 13.709 -14.976 4.416 1.00 0.00 H new ATOM 1709 N PHE A 109 8.369 -8.810 2.462 1.00 0.00 N ATOM 1710 CA PHE A 109 7.789 -7.472 2.448 1.00 0.00 C ATOM 1711 C PHE A 109 7.429 -7.024 3.865 1.00 0.00 C ATOM 1712 O PHE A 109 7.457 -5.832 4.179 1.00 0.00 O ATOM 1713 CB PHE A 109 6.548 -7.445 1.548 1.00 0.00 C ATOM 1714 CG PHE A 109 5.693 -6.220 1.722 1.00 0.00 C ATOM 1715 CD1 PHE A 109 6.270 -4.965 1.829 1.00 0.00 C ATOM 1716 CD2 PHE A 109 4.313 -6.328 1.784 1.00 0.00 C ATOM 1717 CE1 PHE A 109 5.484 -3.839 1.993 1.00 0.00 C ATOM 1718 CE2 PHE A 109 3.523 -5.206 1.947 1.00 0.00 C ATOM 1719 CZ PHE A 109 4.110 -3.961 2.052 1.00 0.00 C ATOM 0 H PHE A 109 7.874 -9.488 1.883 1.00 0.00 H new ATOM 0 HA PHE A 109 8.529 -6.778 2.049 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.865 -7.509 0.507 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.944 -8.329 1.752 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.344 -4.865 1.784 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.849 -7.300 1.704 1.00 0.00 H new ATOM 0 HE1 PHE A 109 5.944 -2.865 2.075 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.448 -5.303 1.992 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.495 -3.083 2.180 1.00 0.00 H new ATOM 1729 N LEU A 110 7.093 -7.990 4.718 1.00 0.00 N ATOM 1730 CA LEU A 110 6.731 -7.696 6.099 1.00 0.00 C ATOM 1731 C LEU A 110 7.780 -6.812 6.762 1.00 0.00 C ATOM 1732 O LEU A 110 7.458 -5.954 7.584 1.00 0.00 O ATOM 1733 CB LEU A 110 6.555 -8.984 6.887 1.00 0.00 C ATOM 1734 CG LEU A 110 5.183 -9.145 7.538 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.121 -10.437 8.328 1.00 0.00 C ATOM 1736 CD2 LEU A 110 4.875 -7.954 8.434 1.00 0.00 C ATOM 0 H LEU A 110 7.065 -8.980 4.476 1.00 0.00 H new ATOM 0 HA LEU A 110 5.784 -7.156 6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.729 -9.829 6.221 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.319 -9.028 7.663 1.00 0.00 H new ATOM 0 HG LEU A 110 4.429 -9.186 6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.137 -10.537 8.786 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.298 -11.280 7.661 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.884 -10.424 9.107 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.894 -8.086 8.890 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.631 -7.882 9.216 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.879 -7.041 7.839 1.00 0.00 H new ATOM 1748 N LEU A 111 9.038 -7.025 6.392 1.00 0.00 N ATOM 1749 CA LEU A 111 10.135 -6.243 6.944 1.00 0.00 C ATOM 1750 C LEU A 111 9.964 -4.769 6.592 1.00 0.00 C ATOM 1751 O LEU A 111 10.014 -3.902 7.465 1.00 0.00 O ATOM 1752 CB LEU A 111 11.472 -6.760 6.417 1.00 0.00 C ATOM 1753 CG LEU A 111 11.947 -8.072 7.042 1.00 0.00 C ATOM 1754 CD1 LEU A 111 10.920 -9.173 6.822 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.296 -8.479 6.469 1.00 0.00 C ATOM 0 H LEU A 111 9.322 -7.732 5.713 1.00 0.00 H new ATOM 0 HA LEU A 111 10.124 -6.346 8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.393 -6.896 5.338 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.232 -5.997 6.587 1.00 0.00 H new ATOM 0 HG LEU A 111 12.061 -7.919 8.115 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.276 -10.099 7.274 1.00 0.00 H new ATOM 0 HD12 LEU A 111 9.974 -8.885 7.281 1.00 0.00 H new ATOM 0 HD13 LEU A 111 10.773 -9.325 5.753 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.618 -9.415 6.926 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.208 -8.613 5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 111 14.030 -7.701 6.679 1.00 0.00 H new ATOM 1767 N THR A 112 9.762 -4.494 5.306 1.00 0.00 N ATOM 1768 CA THR A 112 9.581 -3.125 4.832 1.00 0.00 C ATOM 1769 C THR A 112 8.502 -2.405 5.638 1.00 0.00 C ATOM 1770 O THR A 112 8.644 -1.227 5.961 1.00 0.00 O ATOM 1771 CB THR A 112 9.221 -3.122 3.346 1.00 0.00 C ATOM 1772 OG1 THR A 112 10.272 -3.681 2.581 1.00 0.00 O ATOM 1773 CG2 THR A 112 8.939 -1.739 2.796 1.00 0.00 C ATOM 0 H THR A 112 9.720 -5.202 4.573 1.00 0.00 H new ATOM 0 HA THR A 112 10.521 -2.591 4.969 1.00 0.00 H new ATOM 0 HB THR A 112 8.310 -3.715 3.268 1.00 0.00 H new ATOM 0 HG1 THR A 112 10.803 -2.962 2.180 1.00 0.00 H new ATOM 0 HG21 THR A 112 8.691 -1.812 1.737 1.00 0.00 H new ATOM 0 HG22 THR A 112 8.101 -1.297 3.335 1.00 0.00 H new ATOM 0 HG23 THR A 112 9.822 -1.112 2.919 1.00 0.00 H new ATOM 1781 N ILE A 113 7.430 -3.121 5.974 1.00 0.00 N ATOM 1782 CA ILE A 113 6.344 -2.540 6.758 1.00 0.00 C ATOM 1783 C ILE A 113 6.895 -1.919 8.040 1.00 0.00 C ATOM 1784 O ILE A 113 6.848 -0.704 8.226 1.00 0.00 O ATOM 1785 CB ILE A 113 5.277 -3.602 7.108 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.420 -3.916 5.880 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.401 -3.136 8.263 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.719 -2.703 5.307 1.00 0.00 C ATOM 0 H ILE A 113 7.291 -4.098 5.717 1.00 0.00 H new ATOM 0 HA ILE A 113 5.871 -1.765 6.154 1.00 0.00 H new ATOM 0 HB ILE A 113 5.791 -4.511 7.420 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.051 -4.359 5.110 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.674 -4.664 6.149 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.659 -3.902 8.489 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.021 -2.961 9.142 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.895 -2.211 7.986 1.00 0.00 H new ATOM 0 HD11 ILE A 113 3.130 -2.999 4.439 1.00 0.00 H new ATOM 0 HD12 ILE A 113 3.061 -2.272 6.062 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.460 -1.963 5.007 1.00 0.00 H new ATOM 1800 N LYS A 114 7.436 -2.768 8.909 1.00 0.00 N ATOM 1801 CA LYS A 114 8.023 -2.310 10.165 1.00 0.00 C ATOM 1802 C LYS A 114 9.156 -1.314 9.902 1.00 0.00 C ATOM 1803 O LYS A 114 9.598 -0.607 10.808 1.00 0.00 O ATOM 1804 CB LYS A 114 8.546 -3.503 10.969 1.00 0.00 C ATOM 1805 CG LYS A 114 9.319 -3.110 12.220 1.00 0.00 C ATOM 1806 CD LYS A 114 10.815 -3.042 11.952 1.00 0.00 C ATOM 1807 CE LYS A 114 11.422 -1.750 12.479 1.00 0.00 C ATOM 1808 NZ LYS A 114 12.587 -2.008 13.372 1.00 0.00 N ATOM 0 H LYS A 114 7.480 -3.777 8.767 1.00 0.00 H new ATOM 0 HA LYS A 114 7.248 -1.805 10.743 1.00 0.00 H new ATOM 0 HB2 LYS A 114 7.704 -4.133 11.256 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.191 -4.106 10.329 1.00 0.00 H new ATOM 0 HG2 LYS A 114 8.968 -2.142 12.577 1.00 0.00 H new ATOM 0 HG3 LYS A 114 9.123 -3.832 13.012 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.308 -3.894 12.421 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.997 -3.119 10.880 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.737 -1.129 11.641 1.00 0.00 H new ATOM 0 HE3 LYS A 114 10.664 -1.188 13.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 12.972 -1.103 13.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 12.281 -2.580 14.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 13.322 -2.522 12.845 1.00 0.00 H new ATOM 1822 N HIS A 115 9.600 -1.244 8.648 1.00 0.00 N ATOM 1823 CA HIS A 115 10.653 -0.319 8.256 1.00 0.00 C ATOM 1824 C HIS A 115 10.045 1.008 7.810 1.00 0.00 C ATOM 1825 O HIS A 115 10.688 2.056 7.880 1.00 0.00 O ATOM 1826 CB HIS A 115 11.497 -0.916 7.129 1.00 0.00 C ATOM 1827 CG HIS A 115 12.192 -2.186 7.510 1.00 0.00 C ATOM 1828 ND1 HIS A 115 12.433 -2.551 8.818 1.00 0.00 N ATOM 1829 CD2 HIS A 115 12.700 -3.182 6.746 1.00 0.00 C ATOM 1830 CE1 HIS A 115 13.058 -3.714 8.842 1.00 0.00 C ATOM 1831 NE2 HIS A 115 13.232 -4.118 7.598 1.00 0.00 N ATOM 0 H HIS A 115 9.243 -1.821 7.886 1.00 0.00 H new ATOM 0 HA HIS A 115 11.298 -0.142 9.116 1.00 0.00 H new ATOM 0 HB2 HIS A 115 10.856 -1.106 6.268 1.00 0.00 H new ATOM 0 HB3 HIS A 115 12.241 -0.184 6.817 1.00 0.00 H new ATOM 0 HD1 HIS A 115 12.169 -2.007 9.640 1.00 0.00 H new ATOM 0 HD2 HIS A 115 12.689 -3.231 5.667 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.373 -4.244 9.729 1.00 0.00 H new ATOM 1840 N ALA A 116 8.796 0.946 7.351 1.00 0.00 N ATOM 1841 CA ALA A 116 8.081 2.129 6.891 1.00 0.00 C ATOM 1842 C ALA A 116 7.503 2.910 8.067 1.00 0.00 C ATOM 1843 O ALA A 116 7.647 4.131 8.146 1.00 0.00 O ATOM 1844 CB ALA A 116 6.973 1.725 5.929 1.00 0.00 C ATOM 0 H ALA A 116 8.258 0.082 7.289 1.00 0.00 H new ATOM 0 HA ALA A 116 8.787 2.777 6.370 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.443 2.615 5.590 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.406 1.211 5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.275 1.059 6.437 1.00 0.00 H new ATOM 1850 N PHE A 117 6.848 2.196 8.977 1.00 0.00 N ATOM 1851 CA PHE A 117 6.246 2.817 10.153 1.00 0.00 C ATOM 1852 C PHE A 117 7.291 3.566 10.978 1.00 0.00 C ATOM 1853 O PHE A 117 6.956 4.461 11.754 1.00 0.00 O ATOM 1854 CB PHE A 117 5.559 1.759 11.020 1.00 0.00 C ATOM 1855 CG PHE A 117 4.182 1.391 10.545 1.00 0.00 C ATOM 1856 CD1 PHE A 117 3.078 2.135 10.933 1.00 0.00 C ATOM 1857 CD2 PHE A 117 3.991 0.301 9.712 1.00 0.00 C ATOM 1858 CE1 PHE A 117 1.811 1.798 10.497 1.00 0.00 C ATOM 1859 CE2 PHE A 117 2.726 -0.040 9.274 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.634 0.710 9.667 1.00 0.00 C ATOM 0 H PHE A 117 6.720 1.185 8.923 1.00 0.00 H new ATOM 0 HA PHE A 117 5.503 3.536 9.808 1.00 0.00 H new ATOM 0 HB2 PHE A 117 6.178 0.862 11.042 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.494 2.127 12.044 1.00 0.00 H new ATOM 0 HD1 PHE A 117 3.210 2.987 11.583 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.841 -0.289 9.401 1.00 0.00 H new ATOM 0 HE1 PHE A 117 0.959 2.386 10.806 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.591 -0.892 8.625 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.644 0.445 9.325 1.00 0.00 H new ATOM 1870 N GLU A 118 8.558 3.194 10.807 1.00 0.00 N ATOM 1871 CA GLU A 118 9.651 3.831 11.538 1.00 0.00 C ATOM 1872 C GLU A 118 9.564 5.353 11.445 1.00 0.00 C ATOM 1873 O GLU A 118 10.016 6.065 12.341 1.00 0.00 O ATOM 1874 CB GLU A 118 11.000 3.355 10.998 1.00 0.00 C ATOM 1875 CG GLU A 118 11.174 1.845 11.040 1.00 0.00 C ATOM 1876 CD GLU A 118 12.626 1.421 10.940 1.00 0.00 C ATOM 1877 OE1 GLU A 118 13.251 1.690 9.892 1.00 0.00 O ATOM 1878 OE2 GLU A 118 13.138 0.821 11.908 1.00 0.00 O ATOM 0 H GLU A 118 8.853 2.455 10.169 1.00 0.00 H new ATOM 0 HA GLU A 118 9.562 3.545 12.586 1.00 0.00 H new ATOM 0 HB2 GLU A 118 11.111 3.697 9.969 1.00 0.00 H new ATOM 0 HB3 GLU A 118 11.798 3.821 11.576 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.750 1.460 11.968 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.611 1.396 10.222 1.00 0.00 H new ATOM 1885 N GLU A 119 8.978 5.843 10.357 1.00 0.00 N ATOM 1886 CA GLU A 119 8.831 7.279 10.151 1.00 0.00 C ATOM 1887 C GLU A 119 7.434 7.746 10.551 1.00 0.00 C ATOM 1888 O GLU A 119 6.899 8.695 9.980 1.00 0.00 O ATOM 1889 CB GLU A 119 9.100 7.634 8.687 1.00 0.00 C ATOM 1890 CG GLU A 119 10.424 7.102 8.165 1.00 0.00 C ATOM 1891 CD GLU A 119 10.266 6.279 6.901 1.00 0.00 C ATOM 1892 OE1 GLU A 119 9.248 5.566 6.779 1.00 0.00 O ATOM 1893 OE2 GLU A 119 11.162 6.348 6.033 1.00 0.00 O ATOM 0 H GLU A 119 8.598 5.267 9.606 1.00 0.00 H new ATOM 0 HA GLU A 119 9.559 7.789 10.782 1.00 0.00 H new ATOM 0 HB2 GLU A 119 8.292 7.239 8.072 1.00 0.00 H new ATOM 0 HB3 GLU A 119 9.085 8.718 8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 119 11.095 7.938 7.968 1.00 0.00 H new ATOM 0 HG3 GLU A 119 10.895 6.491 8.935 1.00 0.00 H new ATOM 1900 N TYR A 120 6.850 7.069 11.536 1.00 0.00 N ATOM 1901 CA TYR A 120 5.516 7.414 12.013 1.00 0.00 C ATOM 1902 C TYR A 120 5.367 7.086 13.495 1.00 0.00 C ATOM 1903 O TYR A 120 4.279 6.750 13.962 1.00 0.00 O ATOM 1904 CB TYR A 120 4.454 6.665 11.205 1.00 0.00 C ATOM 1905 CG TYR A 120 3.037 7.074 11.541 1.00 0.00 C ATOM 1906 CD1 TYR A 120 2.616 8.387 11.376 1.00 0.00 C ATOM 1907 CD2 TYR A 120 2.122 6.146 12.022 1.00 0.00 C ATOM 1908 CE1 TYR A 120 1.322 8.763 11.682 1.00 0.00 C ATOM 1909 CE2 TYR A 120 0.827 6.515 12.329 1.00 0.00 C ATOM 1910 CZ TYR A 120 0.431 7.824 12.158 1.00 0.00 C ATOM 1911 OH TYR A 120 -0.858 8.196 12.462 1.00 0.00 O ATOM 0 H TYR A 120 7.280 6.280 12.018 1.00 0.00 H new ATOM 0 HA TYR A 120 5.376 8.487 11.880 1.00 0.00 H new ATOM 0 HB2 TYR A 120 4.630 6.836 10.143 1.00 0.00 H new ATOM 0 HB3 TYR A 120 4.565 5.595 11.379 1.00 0.00 H new ATOM 0 HD1 TYR A 120 3.310 9.125 11.003 1.00 0.00 H new ATOM 0 HD2 TYR A 120 2.428 5.119 12.158 1.00 0.00 H new ATOM 0 HE1 TYR A 120 1.010 9.788 11.549 1.00 0.00 H new ATOM 0 HE2 TYR A 120 0.128 5.781 12.701 1.00 0.00 H new ATOM 0 HH TYR A 120 -1.281 8.587 11.669 1.00 0.00 H new ATOM 1921 N SER A 121 6.470 7.186 14.232 1.00 0.00 N ATOM 1922 CA SER A 121 6.463 6.900 15.662 1.00 0.00 C ATOM 1923 C SER A 121 7.445 7.801 16.402 1.00 0.00 C ATOM 1924 O SER A 121 7.076 8.866 16.895 1.00 0.00 O ATOM 1925 CB SER A 121 6.811 5.431 15.911 1.00 0.00 C ATOM 1926 OG SER A 121 7.814 4.986 15.015 1.00 0.00 O ATOM 0 H SER A 121 7.379 7.463 13.862 1.00 0.00 H new ATOM 0 HA SER A 121 5.461 7.098 16.042 1.00 0.00 H new ATOM 0 HB2 SER A 121 7.154 5.304 16.938 1.00 0.00 H new ATOM 0 HB3 SER A 121 5.917 4.818 15.795 1.00 0.00 H new ATOM 0 HG SER A 121 8.020 4.045 15.196 1.00 0.00 H new TER 1932 SER A 121