USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 794 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 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.364 K(o=-0.36,f=-2.8!) USER MOD Single : A 19 SER OG : rot 180:sc= -0.224 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.829 USER MOD Single : A 31 THR OG1 : rot -47:sc= 0.674 USER MOD Single : A 33 SER OG : rot 64:sc= 0.603 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.018 K(o=-0.018,f=-1.2) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot 180:sc= -1.45 USER MOD Single : A 48 THR OG1 : rot 77:sc= 0.336 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -150:sc= 0.156 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 165:sc= -0.418 (180deg=-0.91) USER MOD Single : A 67 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0411) USER MOD Single : A 70 MET CE :methyl -114:sc= -0.0551 (180deg=-2.19) USER MOD Single : A 71 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.17) USER MOD Single : A 72 GLN : amide:sc= -2.95 K(o=-3,f=-0.66) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0686 USER MOD Single : A 79 ASN : amide:sc= 0.261 X(o=0.26,f=-0.01) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.0529 X(o=-0.053,f=0) USER MOD Single : A 90 GLN : amide:sc= -7.31! K(o=-7.3!,f=-2.4) USER MOD Single : A 94 GLN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 113:sc= -3.62! USER MOD Single : A 99 SER OG : rot 180:sc= 0.215 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -23:sc= 0.512 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 14.422 -7.225 5.607 1.00 0.00 N ATOM 2 CA ALA A 8 15.300 -6.175 5.106 1.00 0.00 C ATOM 3 C ALA A 8 14.612 -5.357 4.019 1.00 0.00 C ATOM 4 O ALA A 8 14.167 -5.900 3.008 1.00 0.00 O ATOM 5 CB ALA A 8 16.595 -6.777 4.580 1.00 0.00 C ATOM 0 HA ALA A 8 15.535 -5.505 5.933 1.00 0.00 H new ATOM 0 HB1 ALA A 8 17.242 -5.982 4.209 1.00 0.00 H new ATOM 0 HB2 ALA A 8 17.101 -7.311 5.384 1.00 0.00 H new ATOM 0 HB3 ALA A 8 16.371 -7.470 3.769 1.00 0.00 H new ATOM 11 N ALA A 9 14.530 -4.048 4.232 1.00 0.00 N ATOM 12 CA ALA A 9 13.898 -3.155 3.269 1.00 0.00 C ATOM 13 C ALA A 9 14.915 -2.626 2.262 1.00 0.00 C ATOM 14 O ALA A 9 16.123 -2.648 2.494 1.00 0.00 O ATOM 15 CB ALA A 9 13.216 -2.000 3.987 1.00 0.00 C ATOM 0 H ALA A 9 14.894 -3.582 5.063 1.00 0.00 H new ATOM 0 HA ALA A 9 13.145 -3.724 2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.749 -1.342 3.255 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.455 -2.390 4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.956 -1.440 4.559 1.00 0.00 H new ATOM 21 N PRO A 10 14.415 -2.140 1.115 1.00 0.00 N ATOM 22 CA PRO A 10 15.262 -1.597 0.050 1.00 0.00 C ATOM 23 C PRO A 10 15.911 -0.274 0.442 1.00 0.00 C ATOM 24 O PRO A 10 15.566 0.317 1.465 1.00 0.00 O ATOM 25 CB PRO A 10 14.285 -1.391 -1.110 1.00 0.00 C ATOM 26 CG PRO A 10 12.956 -1.221 -0.459 1.00 0.00 C ATOM 27 CD PRO A 10 12.984 -2.083 0.772 1.00 0.00 C ATOM 0 HA PRO A 10 16.093 -2.261 -0.188 1.00 0.00 H new ATOM 0 HB2 PRO A 10 14.551 -0.515 -1.701 1.00 0.00 H new ATOM 0 HB3 PRO A 10 14.288 -2.245 -1.787 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.779 -0.177 -0.200 1.00 0.00 H new ATOM 0 HG3 PRO A 10 12.152 -1.524 -1.129 1.00 0.00 H new ATOM 0 HD2 PRO A 10 12.394 -1.650 1.580 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.577 -3.075 0.577 1.00 0.00 H new ATOM 35 N ASN A 11 16.851 0.185 -0.377 1.00 0.00 N ATOM 36 CA ASN A 11 17.548 1.439 -0.115 1.00 0.00 C ATOM 37 C ASN A 11 16.896 2.592 -0.871 1.00 0.00 C ATOM 38 O ASN A 11 17.570 3.532 -1.294 1.00 0.00 O ATOM 39 CB ASN A 11 19.020 1.321 -0.513 1.00 0.00 C ATOM 40 CG ASN A 11 19.202 0.683 -1.876 1.00 0.00 C ATOM 41 OD1 ASN A 11 18.359 0.834 -2.761 1.00 0.00 O ATOM 42 ND2 ASN A 11 20.305 -0.035 -2.052 1.00 0.00 N ATOM 0 H ASN A 11 17.148 -0.293 -1.228 1.00 0.00 H new ATOM 0 HA ASN A 11 17.483 1.646 0.953 1.00 0.00 H new ATOM 0 HB2 ASN A 11 19.473 2.312 -0.516 1.00 0.00 H new ATOM 0 HB3 ASN A 11 19.549 0.731 0.235 1.00 0.00 H new ATOM 0 HD21 ASN A 11 20.481 -0.488 -2.949 1.00 0.00 H new ATOM 0 HD22 ASN A 11 20.977 -0.133 -1.291 1.00 0.00 H new ATOM 49 N LEU A 12 15.580 2.515 -1.035 1.00 0.00 N ATOM 50 CA LEU A 12 14.835 3.552 -1.740 1.00 0.00 C ATOM 51 C LEU A 12 13.958 4.344 -0.775 1.00 0.00 C ATOM 52 O LEU A 12 13.655 3.882 0.325 1.00 0.00 O ATOM 53 CB LEU A 12 13.972 2.931 -2.839 1.00 0.00 C ATOM 54 CG LEU A 12 13.263 3.913 -3.773 1.00 0.00 C ATOM 55 CD1 LEU A 12 13.275 3.394 -5.202 1.00 0.00 C ATOM 56 CD2 LEU A 12 11.837 4.160 -3.305 1.00 0.00 C ATOM 0 H LEU A 12 15.007 1.745 -0.689 1.00 0.00 H new ATOM 0 HA LEU A 12 15.553 4.235 -2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 12 14.602 2.278 -3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 12 13.218 2.300 -2.368 1.00 0.00 H new ATOM 0 HG LEU A 12 13.801 4.861 -3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 12 12.766 4.106 -5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 12 14.305 3.270 -5.536 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.762 2.433 -5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.348 4.861 -3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.288 3.219 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.852 4.578 -2.298 1.00 0.00 H new ATOM 68 N ALA A 13 13.552 5.537 -1.195 1.00 0.00 N ATOM 69 CA ALA A 13 12.706 6.391 -0.370 1.00 0.00 C ATOM 70 C ALA A 13 11.480 5.632 0.129 1.00 0.00 C ATOM 71 O ALA A 13 11.211 4.514 -0.308 1.00 0.00 O ATOM 72 CB ALA A 13 12.283 7.626 -1.151 1.00 0.00 C ATOM 0 H ALA A 13 13.795 5.935 -2.102 1.00 0.00 H new ATOM 0 HA ALA A 13 13.285 6.704 0.499 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.652 8.255 -0.523 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.168 8.186 -1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.726 7.323 -2.037 1.00 0.00 H new ATOM 78 N GLY A 14 10.743 6.248 1.047 1.00 0.00 N ATOM 79 CA GLY A 14 9.555 5.615 1.592 1.00 0.00 C ATOM 80 C GLY A 14 8.319 5.888 0.758 1.00 0.00 C ATOM 81 O GLY A 14 7.201 5.594 1.179 1.00 0.00 O ATOM 0 H GLY A 14 10.946 7.174 1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.717 4.539 1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.390 5.973 2.608 1.00 0.00 H new ATOM 85 N ALA A 15 8.520 6.457 -0.427 1.00 0.00 N ATOM 86 CA ALA A 15 7.412 6.770 -1.321 1.00 0.00 C ATOM 87 C ALA A 15 6.470 7.791 -0.692 1.00 0.00 C ATOM 88 O ALA A 15 5.658 7.453 0.170 1.00 0.00 O ATOM 89 CB ALA A 15 6.654 5.502 -1.686 1.00 0.00 C ATOM 0 H ALA A 15 9.439 6.710 -0.789 1.00 0.00 H new ATOM 0 HA ALA A 15 7.824 7.208 -2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.829 5.751 -2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.328 4.806 -2.185 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.261 5.040 -0.781 1.00 0.00 H new ATOM 95 N VAL A 16 6.585 9.041 -1.127 1.00 0.00 N ATOM 96 CA VAL A 16 5.743 10.111 -0.606 1.00 0.00 C ATOM 97 C VAL A 16 4.778 10.621 -1.671 1.00 0.00 C ATOM 98 O VAL A 16 3.677 11.072 -1.361 1.00 0.00 O ATOM 99 CB VAL A 16 6.589 11.291 -0.090 1.00 0.00 C ATOM 100 CG1 VAL A 16 7.527 10.831 1.015 1.00 0.00 C ATOM 101 CG2 VAL A 16 7.367 11.927 -1.231 1.00 0.00 C ATOM 0 H VAL A 16 7.253 9.338 -1.839 1.00 0.00 H new ATOM 0 HA VAL A 16 5.175 9.690 0.223 1.00 0.00 H new ATOM 0 HB VAL A 16 5.918 12.043 0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.117 11.677 1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.944 10.426 1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.194 10.060 0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.959 12.759 -0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.029 11.185 -1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.671 12.294 -1.986 1.00 0.00 H new ATOM 111 N GLU A 17 5.200 10.543 -2.929 1.00 0.00 N ATOM 112 CA GLU A 17 4.374 10.996 -4.042 1.00 0.00 C ATOM 113 C GLU A 17 3.630 9.827 -4.680 1.00 0.00 C ATOM 114 O GLU A 17 3.838 8.669 -4.313 1.00 0.00 O ATOM 115 CB GLU A 17 5.234 11.701 -5.092 1.00 0.00 C ATOM 116 CG GLU A 17 4.640 13.008 -5.589 1.00 0.00 C ATOM 117 CD GLU A 17 4.452 14.023 -4.478 1.00 0.00 C ATOM 118 OE1 GLU A 17 5.205 13.961 -3.484 1.00 0.00 O ATOM 119 OE2 GLU A 17 3.552 14.879 -4.604 1.00 0.00 O ATOM 0 H GLU A 17 6.109 10.170 -3.203 1.00 0.00 H new ATOM 0 HA GLU A 17 3.640 11.701 -3.651 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.220 11.897 -4.670 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.378 11.032 -5.940 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.290 13.430 -6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.678 12.809 -6.061 1.00 0.00 H new ATOM 126 N PHE A 18 2.761 10.135 -5.636 1.00 0.00 N ATOM 127 CA PHE A 18 1.985 9.111 -6.324 1.00 0.00 C ATOM 128 C PHE A 18 2.852 8.349 -7.322 1.00 0.00 C ATOM 129 O PHE A 18 2.620 7.170 -7.588 1.00 0.00 O ATOM 130 CB PHE A 18 0.792 9.743 -7.046 1.00 0.00 C ATOM 131 CG PHE A 18 -0.144 8.737 -7.651 1.00 0.00 C ATOM 132 CD1 PHE A 18 -0.526 7.612 -6.940 1.00 0.00 C ATOM 133 CD2 PHE A 18 -0.642 8.918 -8.932 1.00 0.00 C ATOM 134 CE1 PHE A 18 -1.387 6.684 -7.496 1.00 0.00 C ATOM 135 CE2 PHE A 18 -1.504 7.994 -9.493 1.00 0.00 C ATOM 136 CZ PHE A 18 -1.877 6.876 -8.773 1.00 0.00 C ATOM 0 H PHE A 18 2.576 11.087 -5.952 1.00 0.00 H new ATOM 0 HA PHE A 18 1.618 8.407 -5.577 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.239 10.364 -6.342 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.161 10.403 -7.832 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.147 7.458 -5.940 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.353 9.791 -9.498 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.676 5.809 -6.932 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.885 8.146 -10.492 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.551 6.153 -9.208 1.00 0.00 H new ATOM 146 N SER A 19 3.851 9.033 -7.870 1.00 0.00 N ATOM 147 CA SER A 19 4.752 8.423 -8.842 1.00 0.00 C ATOM 148 C SER A 19 5.576 7.314 -8.197 1.00 0.00 C ATOM 149 O SER A 19 5.612 6.185 -8.689 1.00 0.00 O ATOM 150 CB SER A 19 5.680 9.481 -9.442 1.00 0.00 C ATOM 151 OG SER A 19 6.521 10.044 -8.450 1.00 0.00 O ATOM 0 H SER A 19 4.057 10.009 -7.658 1.00 0.00 H new ATOM 0 HA SER A 19 4.148 7.987 -9.637 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.289 9.032 -10.227 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.087 10.267 -9.909 1.00 0.00 H new ATOM 0 HG SER A 19 7.105 10.716 -8.859 1.00 0.00 H new ATOM 157 N ASP A 20 6.238 7.642 -7.093 1.00 0.00 N ATOM 158 CA ASP A 20 7.062 6.674 -6.378 1.00 0.00 C ATOM 159 C ASP A 20 6.204 5.559 -5.790 1.00 0.00 C ATOM 160 O ASP A 20 6.455 4.377 -6.029 1.00 0.00 O ATOM 161 CB ASP A 20 7.852 7.367 -5.267 1.00 0.00 C ATOM 162 CG ASP A 20 7.032 8.414 -4.540 1.00 0.00 C ATOM 163 OD1 ASP A 20 6.244 8.036 -3.648 1.00 0.00 O ATOM 164 OD2 ASP A 20 7.177 9.611 -4.863 1.00 0.00 O ATOM 0 H ASP A 20 6.220 8.572 -6.673 1.00 0.00 H new ATOM 0 HA ASP A 20 7.761 6.233 -7.089 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.199 6.621 -4.552 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.739 7.836 -5.694 1.00 0.00 H new ATOM 169 N VAL A 21 5.191 5.942 -5.021 1.00 0.00 N ATOM 170 CA VAL A 21 4.295 4.975 -4.398 1.00 0.00 C ATOM 171 C VAL A 21 3.686 4.041 -5.438 1.00 0.00 C ATOM 172 O VAL A 21 3.345 2.896 -5.138 1.00 0.00 O ATOM 173 CB VAL A 21 3.161 5.675 -3.627 1.00 0.00 C ATOM 174 CG1 VAL A 21 2.052 6.103 -4.578 1.00 0.00 C ATOM 175 CG2 VAL A 21 2.616 4.765 -2.537 1.00 0.00 C ATOM 0 H VAL A 21 4.970 6.916 -4.814 1.00 0.00 H new ATOM 0 HA VAL A 21 4.895 4.394 -3.698 1.00 0.00 H new ATOM 0 HB VAL A 21 3.567 6.569 -3.153 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.260 6.596 -4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.454 6.794 -5.319 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.647 5.226 -5.083 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.815 5.276 -2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.226 3.852 -2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.415 4.514 -1.839 1.00 0.00 H new ATOM 185 N LYS A 22 3.554 4.536 -6.664 1.00 0.00 N ATOM 186 CA LYS A 22 2.987 3.747 -7.752 1.00 0.00 C ATOM 187 C LYS A 22 3.924 2.607 -8.142 1.00 0.00 C ATOM 188 O LYS A 22 3.479 1.499 -8.442 1.00 0.00 O ATOM 189 CB LYS A 22 2.715 4.636 -8.968 1.00 0.00 C ATOM 190 CG LYS A 22 2.339 3.860 -10.217 1.00 0.00 C ATOM 191 CD LYS A 22 2.145 4.782 -11.409 1.00 0.00 C ATOM 192 CE LYS A 22 3.463 5.066 -12.115 1.00 0.00 C ATOM 193 NZ LYS A 22 3.830 3.977 -13.062 1.00 0.00 N ATOM 0 H LYS A 22 3.832 5.481 -6.929 1.00 0.00 H new ATOM 0 HA LYS A 22 2.046 3.320 -7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.911 5.331 -8.727 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.602 5.234 -9.176 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.118 3.132 -10.442 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.422 3.300 -10.036 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.445 4.328 -12.111 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.700 5.720 -11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.389 6.009 -12.657 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.254 5.185 -11.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.733 4.208 -13.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.925 3.082 -12.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.088 3.880 -13.784 1.00 0.00 H new ATOM 207 N THR A 23 5.224 2.887 -8.135 1.00 0.00 N ATOM 208 CA THR A 23 6.222 1.886 -8.487 1.00 0.00 C ATOM 209 C THR A 23 6.479 0.932 -7.326 1.00 0.00 C ATOM 210 O THR A 23 6.448 -0.288 -7.492 1.00 0.00 O ATOM 211 CB THR A 23 7.553 2.541 -8.901 1.00 0.00 C ATOM 212 OG1 THR A 23 7.351 3.381 -10.043 1.00 0.00 O ATOM 213 CG2 THR A 23 8.600 1.485 -9.221 1.00 0.00 C ATOM 0 H THR A 23 5.609 3.799 -7.889 1.00 0.00 H new ATOM 0 HA THR A 23 5.822 1.326 -9.332 1.00 0.00 H new ATOM 0 HB THR A 23 7.911 3.143 -8.066 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.201 3.795 -10.299 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.531 1.972 -9.511 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.773 0.866 -8.341 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.247 0.860 -10.041 1.00 0.00 H new ATOM 221 N LEU A 24 6.730 1.495 -6.149 1.00 0.00 N ATOM 222 CA LEU A 24 6.991 0.694 -4.958 1.00 0.00 C ATOM 223 C LEU A 24 5.888 -0.338 -4.743 1.00 0.00 C ATOM 224 O LEU A 24 6.138 -1.433 -4.238 1.00 0.00 O ATOM 225 CB LEU A 24 7.108 1.596 -3.728 1.00 0.00 C ATOM 226 CG LEU A 24 7.175 0.883 -2.377 1.00 0.00 C ATOM 227 CD1 LEU A 24 8.050 1.660 -1.405 1.00 0.00 C ATOM 228 CD2 LEU A 24 5.777 0.694 -1.804 1.00 0.00 C ATOM 0 H LEU A 24 6.758 2.503 -5.994 1.00 0.00 H new ATOM 0 HA LEU A 24 7.933 0.166 -5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.002 2.211 -3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.254 2.274 -3.717 1.00 0.00 H new ATOM 0 HG LEU A 24 7.621 -0.100 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.085 1.137 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.058 1.744 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.634 2.657 -1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.844 0.185 -0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.305 1.667 -1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.180 0.094 -2.491 1.00 0.00 H new ATOM 240 N LEU A 25 4.668 0.019 -5.130 1.00 0.00 N ATOM 241 CA LEU A 25 3.526 -0.877 -4.982 1.00 0.00 C ATOM 242 C LEU A 25 3.500 -1.914 -6.099 1.00 0.00 C ATOM 243 O LEU A 25 3.081 -3.054 -5.893 1.00 0.00 O ATOM 244 CB LEU A 25 2.223 -0.077 -4.983 1.00 0.00 C ATOM 245 CG LEU A 25 1.909 0.698 -3.703 1.00 0.00 C ATOM 246 CD1 LEU A 25 0.845 1.753 -3.964 1.00 0.00 C ATOM 247 CD2 LEU A 25 1.462 -0.252 -2.601 1.00 0.00 C ATOM 0 H LEU A 25 4.444 0.922 -5.548 1.00 0.00 H new ATOM 0 HA LEU A 25 3.625 -1.398 -4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.255 0.629 -5.813 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.399 -0.763 -5.180 1.00 0.00 H new ATOM 0 HG LEU A 25 2.818 1.202 -3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.635 2.294 -3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.203 2.451 -4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.066 1.271 -4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.243 0.317 -1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.566 -0.785 -2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.256 -0.969 -2.395 1.00 0.00 H new ATOM 259 N LYS A 26 3.954 -1.515 -7.282 1.00 0.00 N ATOM 260 CA LYS A 26 3.986 -2.411 -8.433 1.00 0.00 C ATOM 261 C LYS A 26 5.072 -3.470 -8.266 1.00 0.00 C ATOM 262 O LYS A 26 4.867 -4.637 -8.598 1.00 0.00 O ATOM 263 CB LYS A 26 4.227 -1.615 -9.718 1.00 0.00 C ATOM 264 CG LYS A 26 4.266 -2.477 -10.968 1.00 0.00 C ATOM 265 CD LYS A 26 2.868 -2.762 -11.492 1.00 0.00 C ATOM 266 CE LYS A 26 2.877 -3.015 -12.992 1.00 0.00 C ATOM 267 NZ LYS A 26 1.605 -2.582 -13.634 1.00 0.00 N ATOM 0 H LYS A 26 4.305 -0.576 -7.470 1.00 0.00 H new ATOM 0 HA LYS A 26 3.021 -2.913 -8.500 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.440 -0.868 -9.826 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.170 -1.075 -9.630 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.849 -1.975 -11.740 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.772 -3.417 -10.747 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.455 -3.630 -10.978 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.215 -1.918 -11.268 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.713 -2.482 -13.445 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.036 -4.077 -13.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.650 -2.771 -14.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.810 -3.109 -13.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.466 -1.564 -13.476 1.00 0.00 H new ATOM 281 N GLU A 27 6.224 -3.054 -7.751 1.00 0.00 N ATOM 282 CA GLU A 27 7.340 -3.969 -7.541 1.00 0.00 C ATOM 283 C GLU A 27 7.093 -4.859 -6.326 1.00 0.00 C ATOM 284 O GLU A 27 7.425 -6.045 -6.335 1.00 0.00 O ATOM 285 CB GLU A 27 8.642 -3.185 -7.357 1.00 0.00 C ATOM 286 CG GLU A 27 8.620 -2.239 -6.169 1.00 0.00 C ATOM 287 CD GLU A 27 9.690 -1.168 -6.257 1.00 0.00 C ATOM 288 OE1 GLU A 27 10.057 -0.789 -7.389 1.00 0.00 O ATOM 289 OE2 GLU A 27 10.159 -0.708 -5.195 1.00 0.00 O ATOM 0 H GLU A 27 6.409 -2.091 -7.472 1.00 0.00 H new ATOM 0 HA GLU A 27 7.427 -4.604 -8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.466 -3.888 -7.235 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.843 -2.613 -8.263 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.641 -1.765 -6.105 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.758 -2.811 -5.251 1.00 0.00 H new ATOM 296 N TRP A 28 6.509 -4.279 -5.283 1.00 0.00 N ATOM 297 CA TRP A 28 6.218 -5.018 -4.061 1.00 0.00 C ATOM 298 C TRP A 28 5.267 -6.177 -4.339 1.00 0.00 C ATOM 299 O TRP A 28 5.159 -7.108 -3.541 1.00 0.00 O ATOM 300 CB TRP A 28 5.614 -4.087 -3.009 1.00 0.00 C ATOM 301 CG TRP A 28 5.134 -4.806 -1.785 1.00 0.00 C ATOM 302 CD1 TRP A 28 5.881 -5.578 -0.942 1.00 0.00 C ATOM 303 CD2 TRP A 28 3.799 -4.821 -1.269 1.00 0.00 C ATOM 304 NE1 TRP A 28 5.091 -6.073 0.068 1.00 0.00 N ATOM 305 CE2 TRP A 28 3.809 -5.622 -0.110 1.00 0.00 C ATOM 306 CE3 TRP A 28 2.596 -4.234 -1.671 1.00 0.00 C ATOM 307 CZ2 TRP A 28 2.663 -5.850 0.647 1.00 0.00 C ATOM 308 CZ3 TRP A 28 1.459 -4.463 -0.919 1.00 0.00 C ATOM 309 CH2 TRP A 28 1.500 -5.264 0.231 1.00 0.00 C ATOM 0 H TRP A 28 6.228 -3.299 -5.260 1.00 0.00 H new ATOM 0 HA TRP A 28 7.155 -5.425 -3.680 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.360 -3.347 -2.718 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.780 -3.542 -3.452 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.938 -5.771 -1.053 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.407 -6.677 0.826 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.555 -3.613 -2.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.692 -6.468 1.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.523 -4.017 -1.222 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.595 -5.421 0.799 1.00 0.00 H new ATOM 320 N ILE A 29 4.578 -6.111 -5.474 1.00 0.00 N ATOM 321 CA ILE A 29 3.637 -7.156 -5.856 1.00 0.00 C ATOM 322 C ILE A 29 4.284 -8.160 -6.804 1.00 0.00 C ATOM 323 O ILE A 29 4.035 -9.363 -6.719 1.00 0.00 O ATOM 324 CB ILE A 29 2.384 -6.566 -6.530 1.00 0.00 C ATOM 325 CG1 ILE A 29 1.649 -5.635 -5.563 1.00 0.00 C ATOM 326 CG2 ILE A 29 1.463 -7.680 -7.004 1.00 0.00 C ATOM 327 CD1 ILE A 29 0.704 -4.673 -6.250 1.00 0.00 C ATOM 0 H ILE A 29 4.654 -5.346 -6.144 1.00 0.00 H new ATOM 0 HA ILE A 29 3.342 -7.665 -4.938 1.00 0.00 H new ATOM 0 HB ILE A 29 2.696 -5.985 -7.398 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.086 -6.237 -4.849 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.382 -5.066 -4.992 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.582 -7.247 -7.478 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.991 -8.307 -7.723 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.155 -8.285 -6.151 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.218 -4.045 -5.503 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.264 -4.046 -6.943 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.052 -5.235 -6.799 1.00 0.00 H new ATOM 339 N THR A 30 5.120 -7.658 -7.708 1.00 0.00 N ATOM 340 CA THR A 30 5.805 -8.510 -8.672 1.00 0.00 C ATOM 341 C THR A 30 6.996 -9.215 -8.034 1.00 0.00 C ATOM 342 O THR A 30 7.039 -10.444 -7.962 1.00 0.00 O ATOM 343 CB THR A 30 6.293 -7.702 -9.890 1.00 0.00 C ATOM 344 OG1 THR A 30 7.123 -6.618 -9.457 1.00 0.00 O ATOM 345 CG2 THR A 30 5.116 -7.158 -10.685 1.00 0.00 C ATOM 0 H THR A 30 5.339 -6.665 -7.792 1.00 0.00 H new ATOM 0 HA THR A 30 5.082 -9.254 -9.005 1.00 0.00 H new ATOM 0 HB THR A 30 6.869 -8.367 -10.533 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.430 -6.110 -10.237 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.485 -6.591 -11.540 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.501 -7.986 -11.037 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.517 -6.506 -10.049 1.00 0.00 H new ATOM 353 N THR A 31 7.964 -8.429 -7.571 1.00 0.00 N ATOM 354 CA THR A 31 9.157 -8.979 -6.939 1.00 0.00 C ATOM 355 C THR A 31 8.790 -9.961 -5.832 1.00 0.00 C ATOM 356 O THR A 31 9.329 -11.066 -5.768 1.00 0.00 O ATOM 357 CB THR A 31 10.043 -7.866 -6.349 1.00 0.00 C ATOM 358 OG1 THR A 31 9.406 -7.287 -5.203 1.00 0.00 O ATOM 359 CG2 THR A 31 10.316 -6.785 -7.383 1.00 0.00 C ATOM 0 H THR A 31 7.945 -7.410 -7.622 1.00 0.00 H new ATOM 0 HA THR A 31 9.713 -9.503 -7.716 1.00 0.00 H new ATOM 0 HB THR A 31 10.993 -8.309 -6.051 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.467 -7.099 -5.411 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.944 -6.010 -6.942 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.828 -7.222 -8.240 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.373 -6.346 -7.708 1.00 0.00 H new ATOM 367 N ILE A 32 7.871 -9.552 -4.965 1.00 0.00 N ATOM 368 CA ILE A 32 7.432 -10.397 -3.862 1.00 0.00 C ATOM 369 C ILE A 32 6.215 -11.228 -4.257 1.00 0.00 C ATOM 370 O ILE A 32 5.284 -10.723 -4.884 1.00 0.00 O ATOM 371 CB ILE A 32 7.086 -9.562 -2.614 1.00 0.00 C ATOM 372 CG1 ILE A 32 8.195 -8.547 -2.331 1.00 0.00 C ATOM 373 CG2 ILE A 32 6.871 -10.470 -1.413 1.00 0.00 C ATOM 374 CD1 ILE A 32 9.546 -9.180 -2.083 1.00 0.00 C ATOM 0 H ILE A 32 7.416 -8.640 -5.005 1.00 0.00 H new ATOM 0 HA ILE A 32 8.263 -11.062 -3.625 1.00 0.00 H new ATOM 0 HB ILE A 32 6.161 -9.018 -2.803 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.273 -7.862 -3.175 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.917 -7.951 -1.462 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.627 -9.866 -0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.051 -11.158 -1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.781 -11.038 -1.219 1.00 0.00 H new ATOM 0 HD11 ILE A 32 10.283 -8.401 -1.890 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.484 -9.843 -1.220 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.846 -9.753 -2.960 1.00 0.00 H new ATOM 386 N SER A 33 6.231 -12.504 -3.884 1.00 0.00 N ATOM 387 CA SER A 33 5.130 -13.406 -4.201 1.00 0.00 C ATOM 388 C SER A 33 4.450 -13.903 -2.928 1.00 0.00 C ATOM 389 O SER A 33 3.270 -14.254 -2.937 1.00 0.00 O ATOM 390 CB SER A 33 5.636 -14.594 -5.020 1.00 0.00 C ATOM 391 OG SER A 33 6.566 -15.365 -4.278 1.00 0.00 O ATOM 0 H SER A 33 6.994 -12.936 -3.362 1.00 0.00 H new ATOM 0 HA SER A 33 4.398 -12.853 -4.790 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.795 -15.220 -5.317 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.105 -14.235 -5.936 1.00 0.00 H new ATOM 0 HG SER A 33 6.117 -15.762 -3.503 1.00 0.00 H new ATOM 397 N ASP A 34 5.204 -13.927 -1.835 1.00 0.00 N ATOM 398 CA ASP A 34 4.676 -14.380 -0.553 1.00 0.00 C ATOM 399 C ASP A 34 5.220 -13.528 0.590 1.00 0.00 C ATOM 400 O ASP A 34 6.073 -13.958 1.366 1.00 0.00 O ATOM 401 CB ASP A 34 5.029 -15.850 -0.322 1.00 0.00 C ATOM 402 CG ASP A 34 6.454 -16.174 -0.725 1.00 0.00 C ATOM 403 OD1 ASP A 34 7.366 -15.967 0.103 1.00 0.00 O ATOM 404 OD2 ASP A 34 6.657 -16.635 -1.867 1.00 0.00 O ATOM 0 H ASP A 34 6.182 -13.638 -1.811 1.00 0.00 H new ATOM 0 HA ASP A 34 3.591 -14.275 -0.577 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.888 -16.093 0.731 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.342 -16.479 -0.889 1.00 0.00 H new ATOM 409 N PRO A 35 4.716 -12.289 0.697 1.00 0.00 N ATOM 410 CA PRO A 35 5.137 -11.351 1.741 1.00 0.00 C ATOM 411 C PRO A 35 4.658 -11.771 3.126 1.00 0.00 C ATOM 412 O PRO A 35 3.819 -12.663 3.259 1.00 0.00 O ATOM 413 CB PRO A 35 4.476 -10.035 1.323 1.00 0.00 C ATOM 414 CG PRO A 35 3.295 -10.445 0.513 1.00 0.00 C ATOM 415 CD PRO A 35 3.696 -11.710 -0.193 1.00 0.00 C ATOM 0 HA PRO A 35 6.222 -11.292 1.822 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.176 -9.449 2.192 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.159 -9.416 0.742 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.425 -10.612 1.148 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.024 -9.668 -0.202 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.849 -12.383 -0.324 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.098 -11.506 -1.186 1.00 0.00 H new ATOM 423 N MET A 36 5.194 -11.122 4.155 1.00 0.00 N ATOM 424 CA MET A 36 4.818 -11.429 5.530 1.00 0.00 C ATOM 425 C MET A 36 3.743 -10.468 6.027 1.00 0.00 C ATOM 426 O MET A 36 3.458 -9.457 5.387 1.00 0.00 O ATOM 427 CB MET A 36 6.043 -11.358 6.444 1.00 0.00 C ATOM 428 CG MET A 36 6.918 -12.599 6.383 1.00 0.00 C ATOM 429 SD MET A 36 8.339 -12.501 7.489 1.00 0.00 S ATOM 430 CE MET A 36 9.565 -13.405 6.547 1.00 0.00 C ATOM 0 H MET A 36 5.889 -10.381 4.063 1.00 0.00 H new ATOM 0 HA MET A 36 4.414 -12.441 5.553 1.00 0.00 H new ATOM 0 HB2 MET A 36 6.640 -10.488 6.171 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.712 -11.207 7.471 1.00 0.00 H new ATOM 0 HG2 MET A 36 6.321 -13.473 6.642 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.267 -12.743 5.361 1.00 0.00 H new ATOM 0 HE1 MET A 36 10.503 -13.432 7.102 1.00 0.00 H new ATOM 0 HE2 MET A 36 9.215 -14.423 6.377 1.00 0.00 H new ATOM 0 HE3 MET A 36 9.724 -12.911 5.588 1.00 0.00 H new ATOM 440 N GLU A 37 3.148 -10.791 7.171 1.00 0.00 N ATOM 441 CA GLU A 37 2.104 -9.956 7.752 1.00 0.00 C ATOM 442 C GLU A 37 2.580 -8.515 7.901 1.00 0.00 C ATOM 443 O GLU A 37 1.789 -7.576 7.804 1.00 0.00 O ATOM 444 CB GLU A 37 1.676 -10.508 9.114 1.00 0.00 C ATOM 445 CG GLU A 37 2.822 -10.641 10.103 1.00 0.00 C ATOM 446 CD GLU A 37 2.420 -11.382 11.364 1.00 0.00 C ATOM 447 OE1 GLU A 37 1.606 -10.839 12.138 1.00 0.00 O ATOM 448 OE2 GLU A 37 2.921 -12.507 11.573 1.00 0.00 O ATOM 0 H GLU A 37 3.371 -11.625 7.714 1.00 0.00 H new ATOM 0 HA GLU A 37 1.247 -9.969 7.078 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.914 -9.854 9.539 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.214 -11.485 8.972 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.650 -11.165 9.626 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.185 -9.648 10.369 1.00 0.00 H new ATOM 455 N GLU A 38 3.877 -8.348 8.140 1.00 0.00 N ATOM 456 CA GLU A 38 4.459 -7.021 8.305 1.00 0.00 C ATOM 457 C GLU A 38 4.288 -6.191 7.035 1.00 0.00 C ATOM 458 O GLU A 38 3.950 -5.009 7.095 1.00 0.00 O ATOM 459 CB GLU A 38 5.942 -7.130 8.661 1.00 0.00 C ATOM 460 CG GLU A 38 6.752 -7.931 7.655 1.00 0.00 C ATOM 461 CD GLU A 38 7.998 -8.544 8.264 1.00 0.00 C ATOM 462 OE1 GLU A 38 7.942 -8.954 9.443 1.00 0.00 O ATOM 463 OE2 GLU A 38 9.029 -8.613 7.564 1.00 0.00 O ATOM 0 H GLU A 38 4.544 -9.115 8.224 1.00 0.00 H new ATOM 0 HA GLU A 38 3.934 -6.521 9.119 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.363 -6.128 8.738 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.038 -7.593 9.643 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.128 -8.723 7.240 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.038 -7.283 6.827 1.00 0.00 H new ATOM 470 N ASP A 39 4.527 -6.818 5.890 1.00 0.00 N ATOM 471 CA ASP A 39 4.400 -6.139 4.605 1.00 0.00 C ATOM 472 C ASP A 39 3.030 -5.483 4.470 1.00 0.00 C ATOM 473 O ASP A 39 2.901 -4.408 3.884 1.00 0.00 O ATOM 474 CB ASP A 39 4.622 -7.126 3.458 1.00 0.00 C ATOM 475 CG ASP A 39 6.042 -7.654 3.415 1.00 0.00 C ATOM 476 OD1 ASP A 39 6.745 -7.552 4.442 1.00 0.00 O ATOM 477 OD2 ASP A 39 6.451 -8.170 2.354 1.00 0.00 O ATOM 0 H ASP A 39 4.810 -7.796 5.824 1.00 0.00 H new ATOM 0 HA ASP A 39 5.162 -5.361 4.557 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.930 -7.962 3.563 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.391 -6.637 2.512 1.00 0.00 H new ATOM 482 N ILE A 40 2.009 -6.137 5.015 1.00 0.00 N ATOM 483 CA ILE A 40 0.649 -5.617 4.956 1.00 0.00 C ATOM 484 C ILE A 40 0.471 -4.435 5.904 1.00 0.00 C ATOM 485 O ILE A 40 -0.293 -3.511 5.624 1.00 0.00 O ATOM 486 CB ILE A 40 -0.384 -6.703 5.307 1.00 0.00 C ATOM 487 CG1 ILE A 40 -0.316 -7.848 4.295 1.00 0.00 C ATOM 488 CG2 ILE A 40 -1.784 -6.108 5.349 1.00 0.00 C ATOM 489 CD1 ILE A 40 0.712 -8.903 4.643 1.00 0.00 C ATOM 0 H ILE A 40 2.099 -7.028 5.503 1.00 0.00 H new ATOM 0 HA ILE A 40 0.481 -5.286 3.931 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.150 -7.101 6.294 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.297 -8.318 4.224 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.086 -7.439 3.311 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.503 -6.888 5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.823 -5.323 6.104 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.029 -5.686 4.374 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.705 -9.683 3.882 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.701 -8.447 4.686 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.472 -9.339 5.612 1.00 0.00 H new ATOM 501 N LEU A 41 1.181 -4.472 7.026 1.00 0.00 N ATOM 502 CA LEU A 41 1.102 -3.403 8.016 1.00 0.00 C ATOM 503 C LEU A 41 1.828 -2.153 7.526 1.00 0.00 C ATOM 504 O LEU A 41 1.467 -1.033 7.889 1.00 0.00 O ATOM 505 CB LEU A 41 1.703 -3.866 9.344 1.00 0.00 C ATOM 506 CG LEU A 41 0.733 -4.524 10.326 1.00 0.00 C ATOM 507 CD1 LEU A 41 -0.342 -3.539 10.756 1.00 0.00 C ATOM 508 CD2 LEU A 41 0.105 -5.764 9.705 1.00 0.00 C ATOM 0 H LEU A 41 1.817 -5.230 7.273 1.00 0.00 H new ATOM 0 HA LEU A 41 0.051 -3.156 8.165 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.506 -4.571 9.130 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.157 -3.005 9.834 1.00 0.00 H new ATOM 0 HG LEU A 41 1.293 -4.828 11.211 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.023 -4.025 11.455 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.124 -2.681 11.241 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.899 -3.203 9.881 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.582 -6.219 10.418 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.440 -5.483 8.804 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.887 -6.478 9.448 1.00 0.00 H new ATOM 520 N GLN A 42 2.849 -2.353 6.699 1.00 0.00 N ATOM 521 CA GLN A 42 3.622 -1.242 6.158 1.00 0.00 C ATOM 522 C GLN A 42 2.805 -0.455 5.139 1.00 0.00 C ATOM 523 O GLN A 42 2.742 0.774 5.192 1.00 0.00 O ATOM 524 CB GLN A 42 4.909 -1.756 5.511 1.00 0.00 C ATOM 525 CG GLN A 42 5.815 -2.507 6.473 1.00 0.00 C ATOM 526 CD GLN A 42 6.708 -1.583 7.276 1.00 0.00 C ATOM 527 OE1 GLN A 42 6.571 -0.360 7.216 1.00 0.00 O ATOM 528 NE2 GLN A 42 7.632 -2.163 8.034 1.00 0.00 N ATOM 0 H GLN A 42 3.160 -3.274 6.389 1.00 0.00 H new ATOM 0 HA GLN A 42 3.879 -0.576 6.982 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.651 -2.413 4.680 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.457 -0.912 5.092 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.204 -3.098 7.155 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.434 -3.207 5.912 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.711 -3.180 8.054 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.263 -1.592 8.596 1.00 0.00 H new ATOM 537 N VAL A 43 2.179 -1.171 4.209 1.00 0.00 N ATOM 538 CA VAL A 43 1.365 -0.539 3.178 1.00 0.00 C ATOM 539 C VAL A 43 0.180 0.199 3.789 1.00 0.00 C ATOM 540 O VAL A 43 -0.243 1.240 3.286 1.00 0.00 O ATOM 541 CB VAL A 43 0.843 -1.575 2.163 1.00 0.00 C ATOM 542 CG1 VAL A 43 1.992 -2.154 1.353 1.00 0.00 C ATOM 543 CG2 VAL A 43 0.072 -2.676 2.875 1.00 0.00 C ATOM 0 H VAL A 43 2.220 -2.188 4.149 1.00 0.00 H new ATOM 0 HA VAL A 43 2.006 0.175 2.661 1.00 0.00 H new ATOM 0 HB VAL A 43 0.162 -1.074 1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.604 -2.883 0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.496 -1.353 0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.700 -2.641 2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.289 -3.399 2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.728 -3.177 3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.776 -2.242 3.405 1.00 0.00 H new ATOM 553 N VAL A 44 -0.354 -0.346 4.876 1.00 0.00 N ATOM 554 CA VAL A 44 -1.490 0.262 5.559 1.00 0.00 C ATOM 555 C VAL A 44 -1.060 1.484 6.362 1.00 0.00 C ATOM 556 O VAL A 44 -1.779 2.481 6.428 1.00 0.00 O ATOM 557 CB VAL A 44 -2.182 -0.741 6.502 1.00 0.00 C ATOM 558 CG1 VAL A 44 -3.299 -0.061 7.278 1.00 0.00 C ATOM 559 CG2 VAL A 44 -2.714 -1.930 5.715 1.00 0.00 C ATOM 0 H VAL A 44 -0.018 -1.209 5.304 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.195 0.569 4.786 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.447 -1.108 7.218 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.776 -0.785 7.939 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.886 0.754 7.871 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.037 0.336 6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.200 -2.629 6.396 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.436 -1.583 4.975 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.888 -2.431 5.209 1.00 0.00 H new ATOM 569 N ARG A 45 0.118 1.400 6.970 1.00 0.00 N ATOM 570 CA ARG A 45 0.645 2.500 7.770 1.00 0.00 C ATOM 571 C ARG A 45 0.839 3.749 6.916 1.00 0.00 C ATOM 572 O ARG A 45 0.695 4.872 7.399 1.00 0.00 O ATOM 573 CB ARG A 45 1.973 2.098 8.416 1.00 0.00 C ATOM 574 CG ARG A 45 2.672 3.242 9.132 1.00 0.00 C ATOM 575 CD ARG A 45 1.780 3.860 10.197 1.00 0.00 C ATOM 576 NE ARG A 45 1.344 2.877 11.185 1.00 0.00 N ATOM 577 CZ ARG A 45 2.137 2.383 12.129 1.00 0.00 C ATOM 578 NH1 ARG A 45 3.400 2.778 12.212 1.00 0.00 N ATOM 579 NH2 ARG A 45 1.668 1.491 12.991 1.00 0.00 N ATOM 0 H ARG A 45 0.726 0.582 6.924 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.078 2.726 8.553 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.792 1.292 9.127 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.636 1.702 7.647 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.591 2.878 9.592 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.959 4.005 8.408 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.319 4.664 10.699 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.907 4.309 9.723 1.00 0.00 H new ATOM 0 HE ARG A 45 0.378 2.552 11.148 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.765 3.463 11.550 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.007 2.397 12.938 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.697 1.184 12.929 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.278 1.112 13.716 1.00 0.00 H new ATOM 593 N TYR A 46 1.168 3.545 5.645 1.00 0.00 N ATOM 594 CA TYR A 46 1.386 4.655 4.725 1.00 0.00 C ATOM 595 C TYR A 46 0.068 5.343 4.380 1.00 0.00 C ATOM 596 O TYR A 46 -0.016 6.571 4.358 1.00 0.00 O ATOM 597 CB TYR A 46 2.064 4.159 3.447 1.00 0.00 C ATOM 598 CG TYR A 46 2.120 5.197 2.349 1.00 0.00 C ATOM 599 CD1 TYR A 46 2.908 6.335 2.481 1.00 0.00 C ATOM 600 CD2 TYR A 46 1.385 5.042 1.181 1.00 0.00 C ATOM 601 CE1 TYR A 46 2.962 7.286 1.481 1.00 0.00 C ATOM 602 CE2 TYR A 46 1.433 5.988 0.175 1.00 0.00 C ATOM 603 CZ TYR A 46 2.223 7.108 0.330 1.00 0.00 C ATOM 604 OH TYR A 46 2.274 8.054 -0.669 1.00 0.00 O ATOM 0 H TYR A 46 1.289 2.622 5.229 1.00 0.00 H new ATOM 0 HA TYR A 46 2.036 5.379 5.216 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.078 3.839 3.685 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.531 3.282 3.080 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.488 6.478 3.381 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.765 4.167 1.057 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.579 8.164 1.600 1.00 0.00 H new ATOM 0 HE2 TYR A 46 0.855 5.851 -0.727 1.00 0.00 H new ATOM 0 HH TYR A 46 1.697 7.777 -1.411 1.00 0.00 H new ATOM 614 N CYS A 47 -0.958 4.542 4.114 1.00 0.00 N ATOM 615 CA CYS A 47 -2.273 5.073 3.771 1.00 0.00 C ATOM 616 C CYS A 47 -2.896 5.793 4.962 1.00 0.00 C ATOM 617 O CYS A 47 -3.293 6.954 4.862 1.00 0.00 O ATOM 618 CB CYS A 47 -3.193 3.945 3.301 1.00 0.00 C ATOM 619 SG CYS A 47 -2.752 3.254 1.689 1.00 0.00 S ATOM 0 H CYS A 47 -0.905 3.523 4.129 1.00 0.00 H new ATOM 0 HA CYS A 47 -2.149 5.792 2.961 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.179 3.146 4.043 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -4.216 4.320 3.256 1.00 0.00 H new ATOM 0 HG CYS A 47 -3.586 2.306 1.380 1.00 0.00 H new ATOM 625 N THR A 48 -2.983 5.094 6.090 1.00 0.00 N ATOM 626 CA THR A 48 -3.561 5.665 7.300 1.00 0.00 C ATOM 627 C THR A 48 -2.826 6.933 7.715 1.00 0.00 C ATOM 628 O THR A 48 -3.385 7.790 8.401 1.00 0.00 O ATOM 629 CB THR A 48 -3.527 4.660 8.467 1.00 0.00 C ATOM 630 OG1 THR A 48 -4.132 3.426 8.069 1.00 0.00 O ATOM 631 CG2 THR A 48 -4.252 5.218 9.683 1.00 0.00 C ATOM 0 H THR A 48 -2.660 4.132 6.190 1.00 0.00 H new ATOM 0 HA THR A 48 -4.598 5.909 7.070 1.00 0.00 H new ATOM 0 HB THR A 48 -2.485 4.483 8.735 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.506 2.920 7.509 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.215 4.491 10.494 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.770 6.142 10.002 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.291 5.421 9.425 1.00 0.00 H new ATOM 639 N ASP A 49 -1.572 7.050 7.295 1.00 0.00 N ATOM 640 CA ASP A 49 -0.759 8.216 7.621 1.00 0.00 C ATOM 641 C ASP A 49 -1.134 9.403 6.739 1.00 0.00 C ATOM 642 O ASP A 49 -0.992 10.558 7.142 1.00 0.00 O ATOM 643 CB ASP A 49 0.726 7.892 7.458 1.00 0.00 C ATOM 644 CG ASP A 49 1.334 7.308 8.719 1.00 0.00 C ATOM 645 OD1 ASP A 49 0.571 7.015 9.663 1.00 0.00 O ATOM 646 OD2 ASP A 49 2.571 7.145 8.761 1.00 0.00 O ATOM 0 H ASP A 49 -1.095 6.350 6.727 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.951 8.483 8.660 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.853 7.187 6.637 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.265 8.799 7.185 1.00 0.00 H new ATOM 651 N LEU A 50 -1.611 9.111 5.535 1.00 0.00 N ATOM 652 CA LEU A 50 -2.006 10.154 4.594 1.00 0.00 C ATOM 653 C LEU A 50 -3.231 10.908 5.099 1.00 0.00 C ATOM 654 O LEU A 50 -3.235 12.138 5.158 1.00 0.00 O ATOM 655 CB LEU A 50 -2.296 9.546 3.220 1.00 0.00 C ATOM 656 CG LEU A 50 -1.082 9.051 2.434 1.00 0.00 C ATOM 657 CD1 LEU A 50 -1.520 8.190 1.260 1.00 0.00 C ATOM 658 CD2 LEU A 50 -0.243 10.226 1.953 1.00 0.00 C ATOM 0 H LEU A 50 -1.734 8.160 5.186 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.180 10.860 4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.983 8.710 3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.814 10.292 2.617 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.469 8.440 3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.642 7.847 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.077 7.329 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.155 8.776 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.617 9.855 1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.847 10.864 1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.102 10.802 2.811 1.00 0.00 H new ATOM 670 N ILE A 51 -4.269 10.163 5.464 1.00 0.00 N ATOM 671 CA ILE A 51 -5.499 10.761 5.967 1.00 0.00 C ATOM 672 C ILE A 51 -5.227 11.634 7.187 1.00 0.00 C ATOM 673 O ILE A 51 -6.000 12.539 7.500 1.00 0.00 O ATOM 674 CB ILE A 51 -6.536 9.685 6.341 1.00 0.00 C ATOM 675 CG1 ILE A 51 -6.872 8.824 5.122 1.00 0.00 C ATOM 676 CG2 ILE A 51 -7.794 10.334 6.900 1.00 0.00 C ATOM 677 CD1 ILE A 51 -7.023 7.354 5.443 1.00 0.00 C ATOM 0 H ILE A 51 -4.282 9.144 5.421 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.901 11.378 5.164 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.109 9.042 7.110 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.798 9.187 4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.088 8.946 4.374 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.517 9.561 7.160 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.542 10.909 7.791 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.225 10.997 6.150 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.261 6.805 4.532 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.091 6.975 5.862 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.827 7.220 6.167 1.00 0.00 H new ATOM 689 N GLU A 52 -4.120 11.357 7.871 1.00 0.00 N ATOM 690 CA GLU A 52 -3.745 12.119 9.057 1.00 0.00 C ATOM 691 C GLU A 52 -3.204 13.493 8.672 1.00 0.00 C ATOM 692 O GLU A 52 -3.284 14.442 9.452 1.00 0.00 O ATOM 693 CB GLU A 52 -2.698 11.355 9.870 1.00 0.00 C ATOM 694 CG GLU A 52 -3.234 10.090 10.517 1.00 0.00 C ATOM 695 CD GLU A 52 -2.129 9.157 10.978 1.00 0.00 C ATOM 696 OE1 GLU A 52 -1.055 9.660 11.367 1.00 0.00 O ATOM 697 OE2 GLU A 52 -2.340 7.928 10.950 1.00 0.00 O ATOM 0 H GLU A 52 -3.469 10.612 7.624 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.638 12.258 9.667 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.864 11.094 9.219 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.304 12.011 10.646 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.857 10.359 11.370 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.874 9.566 9.807 1.00 0.00 H new ATOM 704 N GLU A 53 -2.655 13.590 7.465 1.00 0.00 N ATOM 705 CA GLU A 53 -2.101 14.847 6.978 1.00 0.00 C ATOM 706 C GLU A 53 -2.956 15.420 5.852 1.00 0.00 C ATOM 707 O GLU A 53 -2.541 16.340 5.147 1.00 0.00 O ATOM 708 CB GLU A 53 -0.665 14.642 6.490 1.00 0.00 C ATOM 709 CG GLU A 53 -0.512 13.479 5.522 1.00 0.00 C ATOM 710 CD GLU A 53 0.860 13.433 4.878 1.00 0.00 C ATOM 711 OE1 GLU A 53 1.210 14.393 4.160 1.00 0.00 O ATOM 712 OE2 GLU A 53 1.583 12.437 5.092 1.00 0.00 O ATOM 0 H GLU A 53 -2.582 12.814 6.807 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.098 15.557 7.805 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.321 15.555 6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.018 14.475 7.351 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.692 12.544 6.052 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.272 13.556 4.744 1.00 0.00 H new ATOM 719 N LYS A 54 -4.152 14.867 5.686 1.00 0.00 N ATOM 720 CA LYS A 54 -5.068 15.321 4.647 1.00 0.00 C ATOM 721 C LYS A 54 -4.490 15.060 3.260 1.00 0.00 C ATOM 722 O LYS A 54 -4.963 15.612 2.266 1.00 0.00 O ATOM 723 CB LYS A 54 -5.366 16.812 4.816 1.00 0.00 C ATOM 724 CG LYS A 54 -5.638 17.220 6.253 1.00 0.00 C ATOM 725 CD LYS A 54 -6.843 18.140 6.354 1.00 0.00 C ATOM 726 CE LYS A 54 -7.362 18.226 7.781 1.00 0.00 C ATOM 727 NZ LYS A 54 -6.562 19.174 8.606 1.00 0.00 N ATOM 0 H LYS A 54 -4.510 14.103 6.259 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.997 14.759 4.745 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.521 17.388 4.438 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.229 17.073 4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.807 16.330 6.859 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.761 17.722 6.662 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.572 19.136 6.004 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.635 17.777 5.699 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.404 18.545 7.770 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.336 17.236 8.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.947 19.204 9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.572 18.856 8.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.607 20.124 8.185 1.00 0.00 H new ATOM 741 N ASP A 55 -3.465 14.217 3.201 1.00 0.00 N ATOM 742 CA ASP A 55 -2.823 13.882 1.935 1.00 0.00 C ATOM 743 C ASP A 55 -3.372 12.572 1.377 1.00 0.00 C ATOM 744 O ASP A 55 -2.658 11.821 0.711 1.00 0.00 O ATOM 745 CB ASP A 55 -1.309 13.778 2.119 1.00 0.00 C ATOM 746 CG ASP A 55 -0.544 14.217 0.885 1.00 0.00 C ATOM 747 OD1 ASP A 55 -0.854 15.302 0.351 1.00 0.00 O ATOM 748 OD2 ASP A 55 0.363 13.475 0.453 1.00 0.00 O ATOM 0 H ASP A 55 -3.061 13.753 4.015 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.041 14.678 1.223 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.006 14.391 2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.045 12.748 2.359 1.00 0.00 H new ATOM 753 N LEU A 56 -4.642 12.302 1.656 1.00 0.00 N ATOM 754 CA LEU A 56 -5.287 11.082 1.184 1.00 0.00 C ATOM 755 C LEU A 56 -5.660 11.199 -0.291 1.00 0.00 C ATOM 756 O LEU A 56 -6.150 10.245 -0.894 1.00 0.00 O ATOM 757 CB LEU A 56 -6.536 10.787 2.016 1.00 0.00 C ATOM 758 CG LEU A 56 -7.380 11.998 2.411 1.00 0.00 C ATOM 759 CD1 LEU A 56 -7.724 12.832 1.187 1.00 0.00 C ATOM 760 CD2 LEU A 56 -8.647 11.554 3.129 1.00 0.00 C ATOM 0 H LEU A 56 -5.246 12.912 2.207 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.581 10.260 1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.167 10.097 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.229 10.271 2.926 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.796 12.616 3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.325 13.690 1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.806 13.181 0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.288 12.224 0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.236 12.429 3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.233 10.914 2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.380 11.000 4.029 1.00 0.00 H new ATOM 772 N GLU A 57 -5.421 12.373 -0.865 1.00 0.00 N ATOM 773 CA GLU A 57 -5.731 12.613 -2.269 1.00 0.00 C ATOM 774 C GLU A 57 -5.118 11.530 -3.154 1.00 0.00 C ATOM 775 O GLU A 57 -5.802 10.930 -3.983 1.00 0.00 O ATOM 776 CB GLU A 57 -5.218 13.989 -2.700 1.00 0.00 C ATOM 777 CG GLU A 57 -5.951 15.145 -2.040 1.00 0.00 C ATOM 778 CD GLU A 57 -5.369 16.494 -2.414 1.00 0.00 C ATOM 779 OE1 GLU A 57 -4.386 16.523 -3.184 1.00 0.00 O ATOM 780 OE2 GLU A 57 -5.896 17.522 -1.938 1.00 0.00 O ATOM 0 H GLU A 57 -5.014 13.173 -0.380 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.814 12.584 -2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.156 14.062 -2.465 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.312 14.080 -3.782 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.002 15.115 -2.327 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.912 15.024 -0.957 1.00 0.00 H new ATOM 787 N LYS A 58 -3.825 11.288 -2.973 1.00 0.00 N ATOM 788 CA LYS A 58 -3.119 10.278 -3.752 1.00 0.00 C ATOM 789 C LYS A 58 -3.553 8.874 -3.344 1.00 0.00 C ATOM 790 O LYS A 58 -3.539 7.948 -4.157 1.00 0.00 O ATOM 791 CB LYS A 58 -1.607 10.429 -3.569 1.00 0.00 C ATOM 792 CG LYS A 58 -1.002 11.547 -4.400 1.00 0.00 C ATOM 793 CD LYS A 58 -1.069 12.880 -3.674 1.00 0.00 C ATOM 794 CE LYS A 58 0.059 13.023 -2.664 1.00 0.00 C ATOM 795 NZ LYS A 58 0.417 14.449 -2.430 1.00 0.00 N ATOM 0 H LYS A 58 -3.244 11.778 -2.293 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.369 10.425 -4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.394 10.614 -2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.122 9.489 -3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.036 11.309 -4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.531 11.622 -5.350 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.015 13.693 -4.398 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.028 12.970 -3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.238 12.564 -1.721 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.936 12.482 -3.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.425 14.518 -2.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.232 14.999 -3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.156 14.827 -1.649 1.00 0.00 H new ATOM 809 N LEU A 59 -3.939 8.722 -2.082 1.00 0.00 N ATOM 810 CA LEU A 59 -4.380 7.430 -1.568 1.00 0.00 C ATOM 811 C LEU A 59 -5.568 6.902 -2.366 1.00 0.00 C ATOM 812 O LEU A 59 -5.556 5.765 -2.837 1.00 0.00 O ATOM 813 CB LEU A 59 -4.755 7.549 -0.090 1.00 0.00 C ATOM 814 CG LEU A 59 -4.537 6.297 0.761 1.00 0.00 C ATOM 815 CD1 LEU A 59 -5.147 6.477 2.142 1.00 0.00 C ATOM 816 CD2 LEU A 59 -5.125 5.074 0.072 1.00 0.00 C ATOM 0 H LEU A 59 -3.956 9.477 -1.396 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.555 6.725 -1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.179 8.365 0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.806 7.830 -0.024 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.464 6.143 0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.982 5.576 2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.679 7.327 2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.218 6.657 2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.960 4.193 0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.195 5.219 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.641 4.933 -0.894 1.00 0.00 H new ATOM 828 N ASP A 60 -6.591 7.736 -2.512 1.00 0.00 N ATOM 829 CA ASP A 60 -7.787 7.355 -3.256 1.00 0.00 C ATOM 830 C ASP A 60 -7.419 6.781 -4.620 1.00 0.00 C ATOM 831 O ASP A 60 -8.061 5.849 -5.106 1.00 0.00 O ATOM 832 CB ASP A 60 -8.711 8.562 -3.430 1.00 0.00 C ATOM 833 CG ASP A 60 -10.008 8.414 -2.658 1.00 0.00 C ATOM 834 OD1 ASP A 60 -10.504 7.274 -2.545 1.00 0.00 O ATOM 835 OD2 ASP A 60 -10.525 9.439 -2.167 1.00 0.00 O ATOM 0 H ASP A 60 -6.617 8.680 -2.126 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.309 6.586 -2.687 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.194 9.462 -3.098 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.935 8.695 -4.488 1.00 0.00 H new ATOM 840 N LEU A 61 -6.382 7.342 -5.232 1.00 0.00 N ATOM 841 CA LEU A 61 -5.928 6.886 -6.542 1.00 0.00 C ATOM 842 C LEU A 61 -5.136 5.588 -6.421 1.00 0.00 C ATOM 843 O LEU A 61 -5.174 4.740 -7.313 1.00 0.00 O ATOM 844 CB LEU A 61 -5.069 7.962 -7.208 1.00 0.00 C ATOM 845 CG LEU A 61 -5.565 9.401 -7.067 1.00 0.00 C ATOM 846 CD1 LEU A 61 -4.482 10.383 -7.486 1.00 0.00 C ATOM 847 CD2 LEU A 61 -6.827 9.612 -7.890 1.00 0.00 C ATOM 0 H LEU A 61 -5.840 8.113 -4.843 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.806 6.698 -7.160 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.063 7.904 -6.793 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.989 7.729 -8.270 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.804 9.582 -6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.854 11.402 -7.379 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.604 10.248 -6.854 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.211 10.203 -8.526 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.166 10.642 -7.778 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.614 9.412 -8.940 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.606 8.933 -7.542 1.00 0.00 H new ATOM 859 N VAL A 62 -4.420 5.438 -5.312 1.00 0.00 N ATOM 860 CA VAL A 62 -3.620 4.242 -5.073 1.00 0.00 C ATOM 861 C VAL A 62 -4.499 2.998 -5.010 1.00 0.00 C ATOM 862 O VAL A 62 -4.110 1.928 -5.478 1.00 0.00 O ATOM 863 CB VAL A 62 -2.817 4.356 -3.764 1.00 0.00 C ATOM 864 CG1 VAL A 62 -2.027 3.081 -3.509 1.00 0.00 C ATOM 865 CG2 VAL A 62 -1.894 5.564 -3.811 1.00 0.00 C ATOM 0 H VAL A 62 -4.377 6.130 -4.564 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.926 4.152 -5.909 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.516 4.492 -2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.466 3.180 -2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.713 2.238 -3.430 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.335 2.910 -4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.334 5.630 -2.878 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.200 5.459 -4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.486 6.469 -3.944 1.00 0.00 H new ATOM 875 N ILE A 63 -5.685 3.147 -4.429 1.00 0.00 N ATOM 876 CA ILE A 63 -6.620 2.035 -4.307 1.00 0.00 C ATOM 877 C ILE A 63 -6.919 1.416 -5.669 1.00 0.00 C ATOM 878 O ILE A 63 -6.924 0.195 -5.820 1.00 0.00 O ATOM 879 CB ILE A 63 -7.942 2.480 -3.656 1.00 0.00 C ATOM 880 CG1 ILE A 63 -7.675 3.110 -2.287 1.00 0.00 C ATOM 881 CG2 ILE A 63 -8.893 1.300 -3.525 1.00 0.00 C ATOM 882 CD1 ILE A 63 -6.941 2.194 -1.333 1.00 0.00 C ATOM 0 H ILE A 63 -6.021 4.026 -4.036 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.144 1.291 -3.669 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.410 3.229 -4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.093 4.022 -2.423 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.625 3.402 -1.839 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.823 1.632 -3.063 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.104 0.892 -4.513 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.434 0.530 -2.905 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.786 2.706 -0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.531 1.293 -1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.976 1.922 -1.760 1.00 0.00 H new ATOM 894 N LYS A 64 -7.170 2.268 -6.657 1.00 0.00 N ATOM 895 CA LYS A 64 -7.467 1.807 -8.008 1.00 0.00 C ATOM 896 C LYS A 64 -6.294 1.022 -8.586 1.00 0.00 C ATOM 897 O LYS A 64 -6.479 0.142 -9.426 1.00 0.00 O ATOM 898 CB LYS A 64 -7.796 2.996 -8.914 1.00 0.00 C ATOM 899 CG LYS A 64 -8.871 3.910 -8.353 1.00 0.00 C ATOM 900 CD LYS A 64 -8.539 5.373 -8.590 1.00 0.00 C ATOM 901 CE LYS A 64 -9.406 5.972 -9.686 1.00 0.00 C ATOM 902 NZ LYS A 64 -9.443 7.459 -9.614 1.00 0.00 N ATOM 0 H LYS A 64 -7.174 3.282 -6.547 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.333 1.146 -7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.889 3.576 -9.081 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.119 2.623 -9.886 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.829 3.674 -8.817 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.981 3.730 -7.284 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.681 5.933 -7.666 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.488 5.469 -8.863 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.024 5.665 -10.660 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.419 5.579 -9.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.044 7.829 -10.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.831 7.753 -8.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.479 7.836 -9.719 1.00 0.00 H new ATOM 916 N TYR A 65 -5.090 1.345 -8.130 1.00 0.00 N ATOM 917 CA TYR A 65 -3.887 0.672 -8.603 1.00 0.00 C ATOM 918 C TYR A 65 -3.685 -0.656 -7.876 1.00 0.00 C ATOM 919 O TYR A 65 -3.219 -1.631 -8.463 1.00 0.00 O ATOM 920 CB TYR A 65 -2.662 1.566 -8.402 1.00 0.00 C ATOM 921 CG TYR A 65 -1.563 1.323 -9.410 1.00 0.00 C ATOM 922 CD1 TYR A 65 -1.812 1.411 -10.774 1.00 0.00 C ATOM 923 CD2 TYR A 65 -0.275 1.001 -8.999 1.00 0.00 C ATOM 924 CE1 TYR A 65 -0.810 1.189 -11.699 1.00 0.00 C ATOM 925 CE2 TYR A 65 0.733 0.778 -9.917 1.00 0.00 C ATOM 926 CZ TYR A 65 0.461 0.874 -11.266 1.00 0.00 C ATOM 927 OH TYR A 65 1.462 0.650 -12.184 1.00 0.00 O ATOM 0 H TYR A 65 -4.921 2.070 -7.432 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.010 0.470 -9.667 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.971 2.610 -8.459 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.266 1.405 -7.399 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.806 1.657 -11.117 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -0.058 0.924 -7.944 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.021 1.262 -12.756 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.729 0.530 -9.580 1.00 0.00 H new ATOM 0 HH TYR A 65 2.296 0.441 -11.714 1.00 0.00 H new ATOM 937 N MET A 66 -4.040 -0.682 -6.596 1.00 0.00 N ATOM 938 CA MET A 66 -3.901 -1.888 -5.790 1.00 0.00 C ATOM 939 C MET A 66 -4.978 -2.908 -6.146 1.00 0.00 C ATOM 940 O MET A 66 -4.747 -4.117 -6.087 1.00 0.00 O ATOM 941 CB MET A 66 -3.979 -1.544 -4.302 1.00 0.00 C ATOM 942 CG MET A 66 -2.739 -1.944 -3.519 1.00 0.00 C ATOM 943 SD MET A 66 -1.927 -0.536 -2.738 1.00 0.00 S ATOM 944 CE MET A 66 -3.265 0.115 -1.741 1.00 0.00 C ATOM 0 H MET A 66 -4.426 0.118 -6.095 1.00 0.00 H new ATOM 0 HA MET A 66 -2.926 -2.327 -6.003 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.136 -0.471 -4.194 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.848 -2.039 -3.868 1.00 0.00 H new ATOM 0 HG2 MET A 66 -3.015 -2.669 -2.754 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.035 -2.439 -4.188 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.864 0.812 -1.005 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.977 0.635 -2.382 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.769 -0.704 -1.229 1.00 0.00 H new ATOM 954 N LYS A 67 -6.155 -2.414 -6.515 1.00 0.00 N ATOM 955 CA LYS A 67 -7.268 -3.281 -6.881 1.00 0.00 C ATOM 956 C LYS A 67 -7.070 -3.861 -8.278 1.00 0.00 C ATOM 957 O LYS A 67 -7.448 -5.001 -8.547 1.00 0.00 O ATOM 958 CB LYS A 67 -8.587 -2.506 -6.821 1.00 0.00 C ATOM 959 CG LYS A 67 -8.761 -1.514 -7.958 1.00 0.00 C ATOM 960 CD LYS A 67 -10.082 -0.772 -7.852 1.00 0.00 C ATOM 961 CE LYS A 67 -11.227 -1.583 -8.441 1.00 0.00 C ATOM 962 NZ LYS A 67 -12.426 -0.741 -8.701 1.00 0.00 N ATOM 0 H LYS A 67 -6.363 -1.417 -6.568 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.304 -4.104 -6.167 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.416 -3.214 -6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.642 -1.972 -5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.939 -0.799 -7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.713 -2.040 -8.912 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.293 -0.550 -6.806 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.007 0.183 -8.372 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.901 -2.048 -9.371 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.491 -2.389 -7.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.242 -1.353 -8.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.631 -0.160 -7.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.245 -0.121 -9.516 1.00 0.00 H new ATOM 976 N ARG A 68 -6.473 -3.068 -9.163 1.00 0.00 N ATOM 977 CA ARG A 68 -6.225 -3.503 -10.532 1.00 0.00 C ATOM 978 C ARG A 68 -4.983 -4.387 -10.605 1.00 0.00 C ATOM 979 O ARG A 68 -4.828 -5.183 -11.532 1.00 0.00 O ATOM 980 CB ARG A 68 -6.056 -2.292 -11.452 1.00 0.00 C ATOM 981 CG ARG A 68 -4.696 -1.624 -11.336 1.00 0.00 C ATOM 982 CD ARG A 68 -4.600 -0.396 -12.228 1.00 0.00 C ATOM 983 NE ARG A 68 -3.497 -0.495 -13.179 1.00 0.00 N ATOM 984 CZ ARG A 68 -3.575 -1.153 -14.330 1.00 0.00 C ATOM 985 NH1 ARG A 68 -4.700 -1.766 -14.671 1.00 0.00 N ATOM 986 NH2 ARG A 68 -2.527 -1.198 -15.143 1.00 0.00 N ATOM 0 H ARG A 68 -6.153 -2.122 -8.956 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.085 -4.085 -10.863 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.210 -2.606 -12.484 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.831 -1.561 -11.222 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.518 -1.337 -10.300 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.916 -2.335 -11.609 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.536 -0.268 -12.771 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.467 0.492 -11.610 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.618 -0.033 -12.947 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.508 -1.733 -14.049 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.758 -2.271 -15.555 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.660 -0.727 -14.884 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.588 -1.704 -16.027 1.00 0.00 H new ATOM 1000 N LEU A 69 -4.100 -4.240 -9.623 1.00 0.00 N ATOM 1001 CA LEU A 69 -2.872 -5.025 -9.575 1.00 0.00 C ATOM 1002 C LEU A 69 -3.132 -6.409 -8.989 1.00 0.00 C ATOM 1003 O LEU A 69 -2.836 -7.426 -9.616 1.00 0.00 O ATOM 1004 CB LEU A 69 -1.811 -4.298 -8.747 1.00 0.00 C ATOM 1005 CG LEU A 69 -0.866 -3.380 -9.523 1.00 0.00 C ATOM 1006 CD1 LEU A 69 0.005 -2.581 -8.566 1.00 0.00 C ATOM 1007 CD2 LEU A 69 -0.007 -4.188 -10.482 1.00 0.00 C ATOM 0 H LEU A 69 -4.212 -3.584 -8.850 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.508 -5.146 -10.595 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.317 -3.705 -7.985 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.212 -5.044 -8.225 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.465 -2.681 -10.106 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.671 -1.933 -9.135 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.628 -1.973 -7.920 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.597 -3.264 -7.956 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.659 -3.519 -11.026 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.584 -4.911 -9.920 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.648 -4.715 -11.189 1.00 0.00 H new ATOM 1019 N MET A 70 -3.689 -6.440 -7.783 1.00 0.00 N ATOM 1020 CA MET A 70 -3.991 -7.700 -7.113 1.00 0.00 C ATOM 1021 C MET A 70 -4.989 -8.521 -7.925 1.00 0.00 C ATOM 1022 O MET A 70 -5.035 -9.745 -7.811 1.00 0.00 O ATOM 1023 CB MET A 70 -4.551 -7.436 -5.713 1.00 0.00 C ATOM 1024 CG MET A 70 -3.484 -7.393 -4.631 1.00 0.00 C ATOM 1025 SD MET A 70 -2.654 -5.795 -4.536 1.00 0.00 S ATOM 1026 CE MET A 70 -2.154 -5.775 -2.817 1.00 0.00 C ATOM 0 H MET A 70 -3.940 -5.608 -7.250 1.00 0.00 H new ATOM 0 HA MET A 70 -3.065 -8.268 -7.025 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.090 -6.488 -5.719 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.275 -8.213 -5.467 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.940 -7.619 -3.667 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.745 -8.171 -4.824 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.692 -4.986 -2.291 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.383 -6.738 -2.360 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.082 -5.589 -2.752 1.00 0.00 H new ATOM 1036 N GLN A 71 -5.783 -7.839 -8.743 1.00 0.00 N ATOM 1037 CA GLN A 71 -6.778 -8.506 -9.573 1.00 0.00 C ATOM 1038 C GLN A 71 -6.110 -9.401 -10.611 1.00 0.00 C ATOM 1039 O GLN A 71 -6.478 -10.565 -10.769 1.00 0.00 O ATOM 1040 CB GLN A 71 -7.668 -7.474 -10.269 1.00 0.00 C ATOM 1041 CG GLN A 71 -9.011 -7.270 -9.586 1.00 0.00 C ATOM 1042 CD GLN A 71 -9.751 -6.054 -10.107 1.00 0.00 C ATOM 1043 OE1 GLN A 71 -9.889 -5.867 -11.316 1.00 0.00 O ATOM 1044 NE2 GLN A 71 -10.233 -5.218 -9.195 1.00 0.00 N ATOM 0 H GLN A 71 -5.757 -6.825 -8.849 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.395 -9.129 -8.926 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.142 -6.520 -10.309 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.837 -7.788 -11.299 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.628 -8.157 -9.733 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.856 -7.164 -8.512 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.096 -5.411 -8.203 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.740 -4.383 -9.487 1.00 0.00 H new ATOM 1053 N GLN A 72 -5.127 -8.850 -11.316 1.00 0.00 N ATOM 1054 CA GLN A 72 -4.409 -9.600 -12.340 1.00 0.00 C ATOM 1055 C GLN A 72 -3.740 -10.834 -11.742 1.00 0.00 C ATOM 1056 O GLN A 72 -3.553 -11.841 -12.424 1.00 0.00 O ATOM 1057 CB GLN A 72 -3.360 -8.711 -13.011 1.00 0.00 C ATOM 1058 CG GLN A 72 -1.993 -8.777 -12.349 1.00 0.00 C ATOM 1059 CD GLN A 72 -1.120 -7.586 -12.694 1.00 0.00 C ATOM 1060 OE1 GLN A 72 0.022 -7.745 -13.126 1.00 0.00 O ATOM 1061 NE2 GLN A 72 -1.654 -6.386 -12.504 1.00 0.00 N ATOM 0 H GLN A 72 -4.810 -7.888 -11.197 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.130 -9.927 -13.089 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.263 -9.004 -14.056 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -3.710 -7.679 -13.000 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.119 -8.829 -11.268 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.489 -9.693 -12.656 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.605 -6.302 -12.144 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -1.114 -5.548 -12.718 1.00 0.00 H new ATOM 1070 N SER A 73 -3.382 -10.747 -10.465 1.00 0.00 N ATOM 1071 CA SER A 73 -2.730 -11.855 -9.777 1.00 0.00 C ATOM 1072 C SER A 73 -3.752 -12.900 -9.341 1.00 0.00 C ATOM 1073 O SER A 73 -4.923 -12.588 -9.124 1.00 0.00 O ATOM 1074 CB SER A 73 -1.955 -11.343 -8.561 1.00 0.00 C ATOM 1075 OG SER A 73 -0.760 -12.080 -8.370 1.00 0.00 O ATOM 0 H SER A 73 -3.532 -9.921 -9.886 1.00 0.00 H new ATOM 0 HA SER A 73 -2.033 -12.323 -10.472 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.717 -10.288 -8.695 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.579 -11.418 -7.670 1.00 0.00 H new ATOM 0 HG SER A 73 -0.283 -11.732 -7.588 1.00 0.00 H new ATOM 1081 N VAL A 74 -3.300 -14.143 -9.213 1.00 0.00 N ATOM 1082 CA VAL A 74 -4.173 -15.236 -8.801 1.00 0.00 C ATOM 1083 C VAL A 74 -3.863 -15.680 -7.377 1.00 0.00 C ATOM 1084 O VAL A 74 -4.688 -16.316 -6.721 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.041 -16.446 -9.745 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -2.745 -17.195 -9.474 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -5.240 -17.370 -9.596 1.00 0.00 C ATOM 0 H VAL A 74 -2.334 -14.419 -9.389 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.195 -14.859 -8.846 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.016 -16.083 -10.772 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.669 -18.047 -10.150 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.899 -16.527 -9.634 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.738 -17.549 -8.443 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.131 -18.220 -10.270 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.298 -17.728 -8.568 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.152 -16.826 -9.843 1.00 0.00 H new ATOM 1097 N GLU A 75 -2.669 -15.339 -6.902 1.00 0.00 N ATOM 1098 CA GLU A 75 -2.251 -15.703 -5.554 1.00 0.00 C ATOM 1099 C GLU A 75 -3.299 -15.286 -4.527 1.00 0.00 C ATOM 1100 O GLU A 75 -3.558 -14.098 -4.336 1.00 0.00 O ATOM 1101 CB GLU A 75 -0.906 -15.052 -5.219 1.00 0.00 C ATOM 1102 CG GLU A 75 0.195 -15.385 -6.212 1.00 0.00 C ATOM 1103 CD GLU A 75 0.923 -16.669 -5.866 1.00 0.00 C ATOM 1104 OE1 GLU A 75 1.352 -16.814 -4.703 1.00 0.00 O ATOM 1105 OE2 GLU A 75 1.063 -17.531 -6.760 1.00 0.00 O ATOM 0 H GLU A 75 -1.975 -14.811 -7.431 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.142 -16.787 -5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.035 -13.970 -5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.595 -15.371 -4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.235 -15.473 -7.210 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.911 -14.563 -6.245 1.00 0.00 H new ATOM 1112 N SER A 76 -3.901 -16.273 -3.869 1.00 0.00 N ATOM 1113 CA SER A 76 -4.924 -16.009 -2.865 1.00 0.00 C ATOM 1114 C SER A 76 -4.406 -15.051 -1.799 1.00 0.00 C ATOM 1115 O SER A 76 -5.134 -14.182 -1.319 1.00 0.00 O ATOM 1116 CB SER A 76 -5.379 -17.317 -2.215 1.00 0.00 C ATOM 1117 OG SER A 76 -5.278 -18.400 -3.123 1.00 0.00 O ATOM 0 H SER A 76 -3.697 -17.262 -4.014 1.00 0.00 H new ATOM 0 HA SER A 76 -5.775 -15.543 -3.363 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.771 -17.520 -1.334 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.410 -17.218 -1.875 1.00 0.00 H new ATOM 0 HG SER A 76 -5.573 -19.224 -2.683 1.00 0.00 H new ATOM 1123 N VAL A 77 -3.139 -15.216 -1.430 1.00 0.00 N ATOM 1124 CA VAL A 77 -2.519 -14.366 -0.419 1.00 0.00 C ATOM 1125 C VAL A 77 -2.622 -12.894 -0.802 1.00 0.00 C ATOM 1126 O VAL A 77 -2.875 -12.038 0.046 1.00 0.00 O ATOM 1127 CB VAL A 77 -1.037 -14.729 -0.213 1.00 0.00 C ATOM 1128 CG1 VAL A 77 -0.289 -14.696 -1.537 1.00 0.00 C ATOM 1129 CG2 VAL A 77 -0.394 -13.788 0.795 1.00 0.00 C ATOM 0 H VAL A 77 -2.522 -15.930 -1.816 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.059 -14.535 0.512 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.981 -15.743 0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.757 -14.955 -1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.736 -15.413 -2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.351 -13.696 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.653 -14.059 0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.460 -12.763 0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.914 -13.867 1.750 1.00 0.00 H new ATOM 1139 N TRP A 78 -2.425 -12.607 -2.083 1.00 0.00 N ATOM 1140 CA TRP A 78 -2.496 -11.237 -2.579 1.00 0.00 C ATOM 1141 C TRP A 78 -3.943 -10.766 -2.674 1.00 0.00 C ATOM 1142 O TRP A 78 -4.284 -9.681 -2.206 1.00 0.00 O ATOM 1143 CB TRP A 78 -1.823 -11.132 -3.948 1.00 0.00 C ATOM 1144 CG TRP A 78 -0.341 -10.926 -3.868 1.00 0.00 C ATOM 1145 CD1 TRP A 78 0.630 -11.742 -4.373 1.00 0.00 C ATOM 1146 CD2 TRP A 78 0.339 -9.832 -3.240 1.00 0.00 C ATOM 1147 NE1 TRP A 78 1.873 -11.223 -4.100 1.00 0.00 N ATOM 1148 CE2 TRP A 78 1.721 -10.051 -3.406 1.00 0.00 C ATOM 1149 CE3 TRP A 78 -0.084 -8.690 -2.558 1.00 0.00 C ATOM 1150 CZ2 TRP A 78 2.679 -9.169 -2.912 1.00 0.00 C ATOM 1151 CZ3 TRP A 78 0.868 -7.815 -2.068 1.00 0.00 C ATOM 1152 CH2 TRP A 78 2.236 -8.058 -2.247 1.00 0.00 C ATOM 0 H TRP A 78 -2.215 -13.304 -2.797 1.00 0.00 H new ATOM 0 HA TRP A 78 -1.970 -10.595 -1.873 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -2.026 -12.040 -4.515 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -2.268 -10.305 -4.501 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.448 -12.662 -4.909 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.763 -11.642 -4.370 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -1.136 -8.493 -2.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 3.734 -9.355 -3.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.551 -6.929 -1.538 1.00 0.00 H new ATOM 0 HH2 TRP A 78 2.955 -7.355 -1.853 1.00 0.00 H new ATOM 1163 N ASN A 79 -4.790 -11.591 -3.280 1.00 0.00 N ATOM 1164 CA ASN A 79 -6.202 -11.258 -3.436 1.00 0.00 C ATOM 1165 C ASN A 79 -6.846 -10.975 -2.083 1.00 0.00 C ATOM 1166 O ASN A 79 -7.583 -10.001 -1.925 1.00 0.00 O ATOM 1167 CB ASN A 79 -6.943 -12.398 -4.139 1.00 0.00 C ATOM 1168 CG ASN A 79 -6.591 -12.495 -5.610 1.00 0.00 C ATOM 1169 OD1 ASN A 79 -7.112 -11.744 -6.435 1.00 0.00 O ATOM 1170 ND2 ASN A 79 -5.704 -13.424 -5.946 1.00 0.00 N ATOM 0 H ASN A 79 -4.524 -12.495 -3.671 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.272 -10.358 -4.047 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.703 -13.341 -3.648 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.018 -12.248 -4.034 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.429 -13.537 -6.922 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.298 -14.024 -5.229 1.00 0.00 H new ATOM 1177 N MET A 80 -6.563 -11.834 -1.108 1.00 0.00 N ATOM 1178 CA MET A 80 -7.115 -11.676 0.234 1.00 0.00 C ATOM 1179 C MET A 80 -6.459 -10.503 0.956 1.00 0.00 C ATOM 1180 O MET A 80 -7.120 -9.760 1.679 1.00 0.00 O ATOM 1181 CB MET A 80 -6.921 -12.960 1.042 1.00 0.00 C ATOM 1182 CG MET A 80 -7.730 -14.136 0.518 1.00 0.00 C ATOM 1183 SD MET A 80 -8.135 -15.330 1.806 1.00 0.00 S ATOM 1184 CE MET A 80 -9.713 -14.699 2.369 1.00 0.00 C ATOM 0 H MET A 80 -5.956 -12.646 -1.222 1.00 0.00 H new ATOM 0 HA MET A 80 -8.182 -11.472 0.140 1.00 0.00 H new ATOM 0 HB2 MET A 80 -5.864 -13.226 1.038 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.198 -12.772 2.079 1.00 0.00 H new ATOM 0 HG2 MET A 80 -8.651 -13.766 0.068 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.168 -14.636 -0.271 1.00 0.00 H new ATOM 0 HE1 MET A 80 -10.094 -15.334 3.169 1.00 0.00 H new ATOM 0 HE2 MET A 80 -9.586 -13.682 2.742 1.00 0.00 H new ATOM 0 HE3 MET A 80 -10.420 -14.696 1.540 1.00 0.00 H new ATOM 1194 N ALA A 81 -5.155 -10.344 0.754 1.00 0.00 N ATOM 1195 CA ALA A 81 -4.410 -9.261 1.384 1.00 0.00 C ATOM 1196 C ALA A 81 -5.047 -7.909 1.081 1.00 0.00 C ATOM 1197 O ALA A 81 -5.345 -7.134 1.991 1.00 0.00 O ATOM 1198 CB ALA A 81 -2.961 -9.280 0.926 1.00 0.00 C ATOM 0 H ALA A 81 -4.593 -10.952 0.159 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.438 -9.413 2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.417 -8.466 1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.505 -10.231 1.200 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.920 -9.157 -0.156 1.00 0.00 H new ATOM 1204 N PHE A 82 -5.251 -7.630 -0.202 1.00 0.00 N ATOM 1205 CA PHE A 82 -5.850 -6.371 -0.625 1.00 0.00 C ATOM 1206 C PHE A 82 -7.162 -6.118 0.112 1.00 0.00 C ATOM 1207 O PHE A 82 -7.418 -5.010 0.584 1.00 0.00 O ATOM 1208 CB PHE A 82 -6.095 -6.379 -2.136 1.00 0.00 C ATOM 1209 CG PHE A 82 -6.889 -5.201 -2.621 1.00 0.00 C ATOM 1210 CD1 PHE A 82 -6.500 -3.909 -2.304 1.00 0.00 C ATOM 1211 CD2 PHE A 82 -8.023 -5.385 -3.395 1.00 0.00 C ATOM 1212 CE1 PHE A 82 -7.230 -2.823 -2.750 1.00 0.00 C ATOM 1213 CE2 PHE A 82 -8.757 -4.303 -3.843 1.00 0.00 C ATOM 1214 CZ PHE A 82 -8.359 -3.020 -3.521 1.00 0.00 C ATOM 0 H PHE A 82 -5.010 -8.260 -0.967 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.155 -5.568 -0.381 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.135 -6.397 -2.651 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.619 -7.296 -2.406 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.617 -3.749 -1.702 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.337 -6.386 -3.651 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.918 -1.821 -2.496 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -9.640 -4.460 -4.444 1.00 0.00 H new ATOM 0 HZ PHE A 82 -8.929 -2.173 -3.871 1.00 0.00 H new ATOM 1224 N ASP A 83 -7.991 -7.152 0.204 1.00 0.00 N ATOM 1225 CA ASP A 83 -9.276 -7.043 0.883 1.00 0.00 C ATOM 1226 C ASP A 83 -9.102 -6.473 2.288 1.00 0.00 C ATOM 1227 O ASP A 83 -9.859 -5.598 2.712 1.00 0.00 O ATOM 1228 CB ASP A 83 -9.956 -8.411 0.956 1.00 0.00 C ATOM 1229 CG ASP A 83 -10.952 -8.623 -0.167 1.00 0.00 C ATOM 1230 OD1 ASP A 83 -10.910 -7.854 -1.149 1.00 0.00 O ATOM 1231 OD2 ASP A 83 -11.774 -9.558 -0.063 1.00 0.00 O ATOM 0 H ASP A 83 -7.796 -8.075 -0.183 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.905 -6.363 0.309 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.198 -9.193 0.918 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.467 -8.509 1.914 1.00 0.00 H new ATOM 1236 N PHE A 84 -8.103 -6.974 3.006 1.00 0.00 N ATOM 1237 CA PHE A 84 -7.831 -6.517 4.363 1.00 0.00 C ATOM 1238 C PHE A 84 -7.176 -5.139 4.351 1.00 0.00 C ATOM 1239 O PHE A 84 -7.617 -4.225 5.049 1.00 0.00 O ATOM 1240 CB PHE A 84 -6.929 -7.516 5.090 1.00 0.00 C ATOM 1241 CG PHE A 84 -6.499 -7.054 6.453 1.00 0.00 C ATOM 1242 CD1 PHE A 84 -7.261 -7.352 7.572 1.00 0.00 C ATOM 1243 CD2 PHE A 84 -5.334 -6.323 6.616 1.00 0.00 C ATOM 1244 CE1 PHE A 84 -6.868 -6.929 8.827 1.00 0.00 C ATOM 1245 CE2 PHE A 84 -4.936 -5.898 7.869 1.00 0.00 C ATOM 1246 CZ PHE A 84 -5.705 -6.200 8.977 1.00 0.00 C ATOM 0 H PHE A 84 -7.468 -7.698 2.670 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.781 -6.445 4.892 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -7.456 -8.465 5.186 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.044 -7.703 4.482 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -8.172 -7.921 7.461 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.730 -6.082 5.754 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -7.470 -7.169 9.691 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.024 -5.330 7.983 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.397 -5.867 9.957 1.00 0.00 H new ATOM 1256 N ILE A 85 -6.122 -4.998 3.555 1.00 0.00 N ATOM 1257 CA ILE A 85 -5.407 -3.732 3.451 1.00 0.00 C ATOM 1258 C ILE A 85 -6.367 -2.580 3.173 1.00 0.00 C ATOM 1259 O ILE A 85 -6.382 -1.583 3.896 1.00 0.00 O ATOM 1260 CB ILE A 85 -4.341 -3.777 2.341 1.00 0.00 C ATOM 1261 CG1 ILE A 85 -3.317 -4.876 2.631 1.00 0.00 C ATOM 1262 CG2 ILE A 85 -3.653 -2.426 2.212 1.00 0.00 C ATOM 1263 CD1 ILE A 85 -2.761 -5.528 1.384 1.00 0.00 C ATOM 0 H ILE A 85 -5.744 -5.745 2.972 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.914 -3.568 4.409 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.833 -4.005 1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.495 -4.452 3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.782 -5.640 3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.902 -2.474 1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.392 -1.664 1.964 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.172 -2.171 3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.042 -6.297 1.665 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.574 -5.982 0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.266 -4.776 0.770 1.00 0.00 H new ATOM 1275 N LEU A 86 -7.167 -2.723 2.123 1.00 0.00 N ATOM 1276 CA LEU A 86 -8.132 -1.695 1.750 1.00 0.00 C ATOM 1277 C LEU A 86 -9.202 -1.537 2.825 1.00 0.00 C ATOM 1278 O LEU A 86 -9.644 -0.425 3.116 1.00 0.00 O ATOM 1279 CB LEU A 86 -8.785 -2.043 0.411 1.00 0.00 C ATOM 1280 CG LEU A 86 -9.850 -3.140 0.449 1.00 0.00 C ATOM 1281 CD1 LEU A 86 -11.224 -2.541 0.703 1.00 0.00 C ATOM 1282 CD2 LEU A 86 -9.845 -3.934 -0.849 1.00 0.00 C ATOM 0 H LEU A 86 -7.167 -3.541 1.514 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.599 -0.749 1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.238 -1.139 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.002 -2.348 -0.284 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.615 -3.819 1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -11.969 -3.336 0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.222 -2.017 1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.468 -1.839 -0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.609 -4.710 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.055 -3.266 -1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.867 -4.395 -0.990 1.00 0.00 H new ATOM 1294 N ASP A 87 -9.612 -2.655 3.413 1.00 0.00 N ATOM 1295 CA ASP A 87 -10.628 -2.641 4.460 1.00 0.00 C ATOM 1296 C ASP A 87 -10.182 -1.783 5.639 1.00 0.00 C ATOM 1297 O ASP A 87 -11.005 -1.188 6.333 1.00 0.00 O ATOM 1298 CB ASP A 87 -10.924 -4.064 4.932 1.00 0.00 C ATOM 1299 CG ASP A 87 -11.662 -4.094 6.257 1.00 0.00 C ATOM 1300 OD1 ASP A 87 -12.618 -3.308 6.419 1.00 0.00 O ATOM 1301 OD2 ASP A 87 -11.281 -4.901 7.131 1.00 0.00 O ATOM 0 H ASP A 87 -9.257 -3.583 3.183 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.538 -2.209 4.043 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.519 -4.578 4.177 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.988 -4.614 5.029 1.00 0.00 H new ATOM 1306 N ASN A 88 -8.872 -1.725 5.860 1.00 0.00 N ATOM 1307 CA ASN A 88 -8.316 -0.941 6.956 1.00 0.00 C ATOM 1308 C ASN A 88 -8.340 0.549 6.627 1.00 0.00 C ATOM 1309 O ASN A 88 -8.908 1.350 7.370 1.00 0.00 O ATOM 1310 CB ASN A 88 -6.882 -1.385 7.252 1.00 0.00 C ATOM 1311 CG ASN A 88 -6.826 -2.537 8.237 1.00 0.00 C ATOM 1312 OD1 ASN A 88 -6.121 -2.474 9.244 1.00 0.00 O ATOM 1313 ND2 ASN A 88 -7.571 -3.598 7.948 1.00 0.00 N ATOM 0 H ASN A 88 -8.177 -2.212 5.294 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.932 -1.110 7.839 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.397 -1.682 6.322 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.318 -0.542 7.651 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.574 -4.405 8.572 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.140 -3.606 7.102 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.722 0.913 5.508 1.00 0.00 N ATOM 1321 CA VAL A 89 -7.674 2.306 5.079 1.00 0.00 C ATOM 1322 C VAL A 89 -9.074 2.849 4.821 1.00 0.00 C ATOM 1323 O VAL A 89 -9.332 4.039 5.004 1.00 0.00 O ATOM 1324 CB VAL A 89 -6.827 2.471 3.803 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -5.470 1.804 3.973 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -7.563 1.902 2.599 1.00 0.00 C ATOM 0 H VAL A 89 -7.247 0.262 4.882 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.212 2.871 5.888 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.663 3.535 3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.886 1.931 3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.942 2.262 4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.609 0.741 4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.951 2.027 1.706 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.759 0.842 2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.508 2.429 2.468 1.00 0.00 H new ATOM 1336 N GLN A 90 -9.976 1.970 4.397 1.00 0.00 N ATOM 1337 CA GLN A 90 -11.351 2.362 4.113 1.00 0.00 C ATOM 1338 C GLN A 90 -12.140 2.556 5.404 1.00 0.00 C ATOM 1339 O GLN A 90 -13.083 3.346 5.455 1.00 0.00 O ATOM 1340 CB GLN A 90 -12.035 1.310 3.238 1.00 0.00 C ATOM 1341 CG GLN A 90 -11.625 1.376 1.775 1.00 0.00 C ATOM 1342 CD GLN A 90 -11.647 2.789 1.227 1.00 0.00 C ATOM 1343 OE1 GLN A 90 -10.736 3.202 0.507 1.00 0.00 O ATOM 1344 NE2 GLN A 90 -12.688 3.541 1.565 1.00 0.00 N ATOM 0 H GLN A 90 -9.779 0.981 4.243 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.327 3.310 3.576 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.803 0.319 3.627 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.115 1.436 3.310 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.623 0.962 1.663 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.295 0.751 1.185 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -13.420 3.159 2.164 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.755 4.501 1.226 1.00 0.00 H new ATOM 1353 N VAL A 91 -11.746 1.830 6.446 1.00 0.00 N ATOM 1354 CA VAL A 91 -12.416 1.922 7.738 1.00 0.00 C ATOM 1355 C VAL A 91 -11.953 3.154 8.509 1.00 0.00 C ATOM 1356 O VAL A 91 -12.768 3.919 9.024 1.00 0.00 O ATOM 1357 CB VAL A 91 -12.160 0.668 8.594 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -12.352 0.980 10.070 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -13.072 -0.469 8.159 1.00 0.00 C ATOM 0 H VAL A 91 -10.967 1.172 6.421 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.484 2.002 7.536 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.127 0.353 8.445 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.167 0.082 10.659 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.654 1.761 10.371 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.373 1.321 10.240 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.878 -1.347 8.775 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.112 -0.166 8.277 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.880 -0.709 7.113 1.00 0.00 H new ATOM 1369 N VAL A 92 -10.639 3.338 8.585 1.00 0.00 N ATOM 1370 CA VAL A 92 -10.067 4.478 9.292 1.00 0.00 C ATOM 1371 C VAL A 92 -10.657 5.790 8.789 1.00 0.00 C ATOM 1372 O VAL A 92 -11.022 6.663 9.579 1.00 0.00 O ATOM 1373 CB VAL A 92 -8.535 4.524 9.136 1.00 0.00 C ATOM 1374 CG1 VAL A 92 -8.147 4.474 7.667 1.00 0.00 C ATOM 1375 CG2 VAL A 92 -7.969 5.767 9.804 1.00 0.00 C ATOM 0 H VAL A 92 -9.951 2.713 8.166 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.314 4.353 10.346 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.110 3.650 9.629 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.061 4.507 7.576 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.520 3.551 7.223 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.581 5.328 7.147 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.886 5.783 9.684 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.399 6.656 9.342 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.216 5.754 10.865 1.00 0.00 H new ATOM 1385 N LEU A 93 -10.751 5.923 7.471 1.00 0.00 N ATOM 1386 CA LEU A 93 -11.298 7.130 6.861 1.00 0.00 C ATOM 1387 C LEU A 93 -12.817 7.171 7.002 1.00 0.00 C ATOM 1388 O LEU A 93 -13.420 8.244 7.006 1.00 0.00 O ATOM 1389 CB LEU A 93 -10.911 7.199 5.382 1.00 0.00 C ATOM 1390 CG LEU A 93 -11.912 6.593 4.397 1.00 0.00 C ATOM 1391 CD1 LEU A 93 -12.932 7.634 3.964 1.00 0.00 C ATOM 1392 CD2 LEU A 93 -11.188 6.017 3.190 1.00 0.00 C ATOM 0 H LEU A 93 -10.456 5.210 6.804 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.879 7.991 7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.757 8.245 5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.954 6.693 5.254 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.442 5.783 4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -13.636 7.184 3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.473 7.999 4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.420 8.466 3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -11.915 5.590 2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.632 6.808 2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.498 5.239 3.517 1.00 0.00 H new ATOM 1404 N GLN A 94 -13.427 5.997 7.122 1.00 0.00 N ATOM 1405 CA GLN A 94 -14.874 5.899 7.267 1.00 0.00 C ATOM 1406 C GLN A 94 -15.327 6.461 8.611 1.00 0.00 C ATOM 1407 O GLN A 94 -16.473 6.880 8.764 1.00 0.00 O ATOM 1408 CB GLN A 94 -15.325 4.444 7.131 1.00 0.00 C ATOM 1409 CG GLN A 94 -16.767 4.211 7.554 1.00 0.00 C ATOM 1410 CD GLN A 94 -17.189 2.762 7.414 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -18.235 2.461 6.838 1.00 0.00 O ATOM 1412 NE2 GLN A 94 -16.376 1.854 7.942 1.00 0.00 N ATOM 0 H GLN A 94 -12.941 5.100 7.122 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.333 6.489 6.474 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -15.204 4.130 6.094 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -14.672 3.812 7.733 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -16.893 4.524 8.591 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.424 4.837 6.951 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -15.519 2.148 8.411 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -16.609 0.863 7.879 1.00 0.00 H new ATOM 1421 N GLN A 95 -14.417 6.465 9.581 1.00 0.00 N ATOM 1422 CA GLN A 95 -14.725 6.975 10.912 1.00 0.00 C ATOM 1423 C GLN A 95 -14.662 8.499 10.940 1.00 0.00 C ATOM 1424 O GLN A 95 -15.430 9.149 11.649 1.00 0.00 O ATOM 1425 CB GLN A 95 -13.752 6.393 11.940 1.00 0.00 C ATOM 1426 CG GLN A 95 -13.652 4.878 11.893 1.00 0.00 C ATOM 1427 CD GLN A 95 -13.350 4.270 13.249 1.00 0.00 C ATOM 1428 OE1 GLN A 95 -14.259 3.896 13.991 1.00 0.00 O ATOM 1429 NE2 GLN A 95 -12.068 4.169 13.580 1.00 0.00 N ATOM 0 H GLN A 95 -13.463 6.122 9.470 1.00 0.00 H new ATOM 0 HA GLN A 95 -15.739 6.668 11.166 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.763 6.819 11.774 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -14.066 6.697 12.938 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.589 4.468 11.516 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.871 4.591 11.188 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.348 4.492 12.934 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.804 3.769 14.480 1.00 0.00 H new ATOM 1438 N THR A 96 -13.742 9.062 10.163 1.00 0.00 N ATOM 1439 CA THR A 96 -13.577 10.509 10.100 1.00 0.00 C ATOM 1440 C THR A 96 -14.510 11.123 9.063 1.00 0.00 C ATOM 1441 O THR A 96 -14.977 12.251 9.224 1.00 0.00 O ATOM 1442 CB THR A 96 -12.126 10.895 9.760 1.00 0.00 C ATOM 1443 OG1 THR A 96 -11.923 12.293 9.993 1.00 0.00 O ATOM 1444 CG2 THR A 96 -11.803 10.565 8.311 1.00 0.00 C ATOM 0 H THR A 96 -13.100 8.538 9.569 1.00 0.00 H new ATOM 0 HA THR A 96 -13.827 10.899 11.087 1.00 0.00 H new ATOM 0 HB THR A 96 -11.461 10.320 10.404 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.997 12.530 9.776 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.773 10.847 8.095 1.00 0.00 H new ATOM 0 HG22 THR A 96 -11.929 9.495 8.145 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.475 11.116 7.654 1.00 0.00 H new ATOM 1452 N TYR A 97 -14.780 10.374 7.999 1.00 0.00 N ATOM 1453 CA TYR A 97 -15.657 10.847 6.934 1.00 0.00 C ATOM 1454 C TYR A 97 -17.077 10.325 7.127 1.00 0.00 C ATOM 1455 O TYR A 97 -18.036 11.096 7.147 1.00 0.00 O ATOM 1456 CB TYR A 97 -15.120 10.407 5.571 1.00 0.00 C ATOM 1457 CG TYR A 97 -13.953 11.235 5.083 1.00 0.00 C ATOM 1458 CD1 TYR A 97 -14.151 12.502 4.544 1.00 0.00 C ATOM 1459 CD2 TYR A 97 -12.653 10.752 5.160 1.00 0.00 C ATOM 1460 CE1 TYR A 97 -13.088 13.261 4.096 1.00 0.00 C ATOM 1461 CE2 TYR A 97 -11.584 11.506 4.717 1.00 0.00 C ATOM 1462 CZ TYR A 97 -11.806 12.760 4.185 1.00 0.00 C ATOM 1463 OH TYR A 97 -10.744 13.513 3.741 1.00 0.00 O ATOM 0 H TYR A 97 -14.404 9.437 7.851 1.00 0.00 H new ATOM 0 HA TYR A 97 -15.681 11.936 6.973 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -14.814 9.363 5.631 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -15.925 10.462 4.838 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -15.153 12.899 4.475 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.475 9.770 5.573 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -13.260 14.242 3.678 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.579 11.116 4.787 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.185 13.771 4.503 1.00 0.00 H new ATOM 1473 N GLY A 98 -17.203 9.010 7.268 1.00 0.00 N ATOM 1474 CA GLY A 98 -18.510 8.406 7.458 1.00 0.00 C ATOM 1475 C GLY A 98 -18.873 7.446 6.342 1.00 0.00 C ATOM 1476 O GLY A 98 -19.733 6.582 6.512 1.00 0.00 O ATOM 0 H GLY A 98 -16.424 8.351 7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.526 7.875 8.410 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -19.264 9.191 7.518 1.00 0.00 H new ATOM 1480 N SER A 99 -18.218 7.600 5.195 1.00 0.00 N ATOM 1481 CA SER A 99 -18.481 6.744 4.044 1.00 0.00 C ATOM 1482 C SER A 99 -17.230 5.964 3.651 1.00 0.00 C ATOM 1483 O SER A 99 -16.237 5.951 4.378 1.00 0.00 O ATOM 1484 CB SER A 99 -18.968 7.581 2.860 1.00 0.00 C ATOM 1485 OG SER A 99 -19.592 6.767 1.883 1.00 0.00 O ATOM 0 H SER A 99 -17.502 8.309 5.038 1.00 0.00 H new ATOM 0 HA SER A 99 -19.259 6.033 4.321 1.00 0.00 H new ATOM 0 HB2 SER A 99 -19.670 8.338 3.210 1.00 0.00 H new ATOM 0 HB3 SER A 99 -18.126 8.110 2.413 1.00 0.00 H new ATOM 0 HG SER A 99 -19.896 7.326 1.137 1.00 0.00 H new ATOM 1491 N THR A 100 -17.286 5.312 2.493 1.00 0.00 N ATOM 1492 CA THR A 100 -16.160 4.528 2.003 1.00 0.00 C ATOM 1493 C THR A 100 -15.995 4.687 0.495 1.00 0.00 C ATOM 1494 O THR A 100 -16.744 5.424 -0.148 1.00 0.00 O ATOM 1495 CB THR A 100 -16.329 3.033 2.335 1.00 0.00 C ATOM 1496 OG1 THR A 100 -17.451 2.498 1.626 1.00 0.00 O ATOM 1497 CG2 THR A 100 -16.522 2.830 3.829 1.00 0.00 C ATOM 0 H THR A 100 -18.100 5.312 1.878 1.00 0.00 H new ATOM 0 HA THR A 100 -15.269 4.905 2.505 1.00 0.00 H new ATOM 0 HB THR A 100 -15.423 2.510 2.028 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.551 1.547 1.841 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.639 1.767 4.040 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.652 3.212 4.363 1.00 0.00 H new ATOM 0 HG23 THR A 100 -17.413 3.365 4.157 1.00 0.00 H new ATOM 1505 N LEU A 101 -15.012 3.991 -0.063 1.00 0.00 N ATOM 1506 CA LEU A 101 -14.750 4.053 -1.497 1.00 0.00 C ATOM 1507 C LEU A 101 -15.500 2.951 -2.237 1.00 0.00 C ATOM 1508 O LEU A 101 -15.861 1.930 -1.653 1.00 0.00 O ATOM 1509 CB LEU A 101 -13.248 3.934 -1.767 1.00 0.00 C ATOM 1510 CG LEU A 101 -12.498 5.249 -1.984 1.00 0.00 C ATOM 1511 CD1 LEU A 101 -13.100 6.020 -3.149 1.00 0.00 C ATOM 1512 CD2 LEU A 101 -12.520 6.091 -0.716 1.00 0.00 C ATOM 0 H LEU A 101 -14.383 3.377 0.455 1.00 0.00 H new ATOM 0 HA LEU A 101 -15.104 5.016 -1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -12.789 3.411 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -13.106 3.308 -2.648 1.00 0.00 H new ATOM 0 HG LEU A 101 -11.460 5.018 -2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -12.554 6.953 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -13.032 5.420 -4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -14.146 6.240 -2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -11.982 7.023 -0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -13.552 6.313 -0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -12.042 5.541 0.094 1.00 0.00 H new ATOM 1524 N LYS A 102 -15.729 3.162 -3.529 1.00 0.00 N ATOM 1525 CA LYS A 102 -16.433 2.186 -4.352 1.00 0.00 C ATOM 1526 C LYS A 102 -15.448 1.310 -5.120 1.00 0.00 C ATOM 1527 O LYS A 102 -14.792 1.770 -6.055 1.00 0.00 O ATOM 1528 CB LYS A 102 -17.372 2.895 -5.331 1.00 0.00 C ATOM 1529 CG LYS A 102 -18.379 1.966 -5.989 1.00 0.00 C ATOM 1530 CD LYS A 102 -19.336 1.371 -4.971 1.00 0.00 C ATOM 1531 CE LYS A 102 -20.352 0.451 -5.632 1.00 0.00 C ATOM 1532 NZ LYS A 102 -21.487 1.212 -6.223 1.00 0.00 N ATOM 0 H LYS A 102 -15.437 4.002 -4.029 1.00 0.00 H new ATOM 0 HA LYS A 102 -17.021 1.549 -3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -17.909 3.682 -4.801 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -16.777 3.380 -6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -18.943 2.515 -6.743 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -17.852 1.164 -6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -18.772 0.814 -4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -19.856 2.173 -4.447 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -19.861 -0.132 -6.411 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -20.733 -0.257 -4.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -22.157 0.550 -6.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -21.972 1.749 -5.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -21.126 1.870 -6.943 1.00 0.00 H new ATOM 1546 N VAL A 103 -15.350 0.047 -4.721 1.00 0.00 N ATOM 1547 CA VAL A 103 -14.447 -0.894 -5.373 1.00 0.00 C ATOM 1548 C VAL A 103 -15.211 -1.845 -6.289 1.00 0.00 C ATOM 1549 O VAL A 103 -15.431 -3.008 -5.949 1.00 0.00 O ATOM 1550 CB VAL A 103 -13.654 -1.718 -4.341 1.00 0.00 C ATOM 1551 CG1 VAL A 103 -14.597 -2.387 -3.353 1.00 0.00 C ATOM 1552 CG2 VAL A 103 -12.783 -2.750 -5.041 1.00 0.00 C ATOM 0 H VAL A 103 -15.885 -0.349 -3.948 1.00 0.00 H new ATOM 0 HA VAL A 103 -13.750 -0.303 -5.968 1.00 0.00 H new ATOM 0 HB VAL A 103 -13.003 -1.043 -3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -14.019 -2.965 -2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.174 -1.626 -2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.275 -3.051 -3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -12.230 -3.323 -4.297 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -13.413 -3.423 -5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -12.082 -2.244 -5.705 1.00 0.00 H new ATOM 1562 N THR A 104 -15.613 -1.342 -7.451 1.00 0.00 N ATOM 1563 CA THR A 104 -16.352 -2.146 -8.416 1.00 0.00 C ATOM 1564 C THR A 104 -15.668 -2.139 -9.778 1.00 0.00 C ATOM 1565 O THR A 104 -16.036 -2.899 -10.673 1.00 0.00 O ATOM 1566 CB THR A 104 -17.798 -1.638 -8.579 1.00 0.00 C ATOM 1567 OG1 THR A 104 -18.485 -2.422 -9.561 1.00 0.00 O ATOM 1568 CG2 THR A 104 -17.814 -0.174 -8.990 1.00 0.00 C ATOM 0 H THR A 104 -15.439 -0.381 -7.747 1.00 0.00 H new ATOM 0 HA THR A 104 -16.372 -3.165 -8.028 1.00 0.00 H new ATOM 0 HB THR A 104 -18.304 -1.735 -7.618 1.00 0.00 H new ATOM 0 HG1 THR A 104 -17.832 -2.841 -10.160 1.00 0.00 H new ATOM 0 HG21 THR A 104 -18.845 0.162 -9.099 1.00 0.00 H new ATOM 0 HG22 THR A 104 -17.316 0.424 -8.226 1.00 0.00 H new ATOM 0 HG23 THR A 104 -17.292 -0.057 -9.940 1.00 0.00 H new TER 1576 THR A 104