USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 602 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 87 ASN : amide:sc= 1.1 K(o=2.3,f=-7.7!) USER MOD Set 1.2: A 89 LYS NZ :NH3+ 154:sc= 1.22 (180deg=-0.147) USER MOD Set 2.1: A 73 LYS NZ :NH3+ 162:sc= 0.368 (180deg=0) USER MOD Set 2.2: A 78 ASN : amide:sc= -1.06! K(o=-0.7!,f=-2.1) USER MOD Set 3.1: A 64 ASN : amide:sc= -2.5! C(o=-0.29!,f=-8.9!) USER MOD Set 3.2: A 67 LYS NZ :NH3+ 140:sc= 1.65 (180deg=0) USER MOD Set 3.3: A 68 TYR OH : rot 30:sc= 0.553 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0.365 (180deg=0.365) USER MOD Single : A 14 LYS NZ :NH3+ 156:sc= 0.174! (180deg=-2.28!) USER MOD Single : A 15 MET CE :methyl -135:sc= -0.26 (180deg=-1.74) USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= -0.0155 (180deg=-0.23) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= -2.18! X(o=-2.2!,f=-2.2) USER MOD Single : A 39 LYS NZ :NH3+ 161:sc= -0.102 (180deg=-0.618) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0322 USER MOD Single : A 48 HIS : no HD1:sc= 0.328 K(o=0.33,f=-4.8!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0734 USER MOD Single : A 56 LYS NZ :NH3+ -112:sc= 0.962 (180deg=-1.94!) USER MOD Single : A 61 TYR OH : rot 68:sc= 1.28 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0258 USER MOD Single : A 65 LYS NZ :NH3+ -146:sc= 0.19 (180deg=-1.99!) USER MOD Single : A 70 LYS NZ :NH3+ 155:sc= 1.94 (180deg=1.46) USER MOD Single : A 72 ASN : amide:sc= -1.7! K(o=-1.7!,f=-0.51) USER MOD Single : A 75 LYS NZ :NH3+ 162:sc= -0.996! (180deg=-1.65!) USER MOD Single : A 86 ASN : amide:sc= 1.18 K(o=1.2,f=-0.071) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 5 3.537 10.380 5.681 1.00 0.00 N ATOM 67 CA PHE A 5 3.402 8.949 5.583 1.00 0.00 C ATOM 68 C PHE A 5 4.678 8.285 5.994 1.00 0.00 C ATOM 69 O PHE A 5 5.758 8.562 5.429 1.00 0.00 O ATOM 70 CB PHE A 5 3.041 8.553 4.166 1.00 0.00 C ATOM 71 CG PHE A 5 1.721 9.087 3.694 1.00 0.00 C ATOM 72 CD1 PHE A 5 1.605 10.383 3.211 1.00 0.00 C ATOM 73 CD2 PHE A 5 0.602 8.284 3.714 1.00 0.00 C ATOM 74 CE1 PHE A 5 0.393 10.857 2.760 1.00 0.00 C ATOM 75 CE2 PHE A 5 -0.610 8.750 3.256 1.00 0.00 C ATOM 76 CZ PHE A 5 -0.715 10.037 2.777 1.00 0.00 C ATOM 0 HA PHE A 5 2.604 8.624 6.251 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.823 8.903 3.493 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.025 7.465 4.098 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.473 11.025 3.189 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.676 7.276 4.094 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.311 11.870 2.394 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.477 8.107 3.272 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.664 10.403 2.415 1.00 0.00 H new ATOM 86 N LYS A 6 4.601 7.448 6.997 1.00 0.00 N ATOM 87 CA LYS A 6 5.781 6.795 7.482 1.00 0.00 C ATOM 88 C LYS A 6 5.634 5.295 7.274 1.00 0.00 C ATOM 89 O LYS A 6 4.511 4.805 7.179 1.00 0.00 O ATOM 90 CB LYS A 6 6.075 7.109 8.990 1.00 0.00 C ATOM 91 CG LYS A 6 5.939 8.587 9.462 1.00 0.00 C ATOM 92 CD LYS A 6 6.350 9.636 8.418 1.00 0.00 C ATOM 93 CE LYS A 6 7.769 9.502 7.882 1.00 0.00 C ATOM 94 NZ LYS A 6 7.912 10.282 6.621 1.00 0.00 N ATOM 0 H LYS A 6 3.740 7.207 7.487 1.00 0.00 H new ATOM 0 HA LYS A 6 6.631 7.178 6.917 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.404 6.500 9.596 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.090 6.779 9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.904 8.768 9.750 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.548 8.726 10.355 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.656 9.581 7.579 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.238 10.626 8.859 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.482 9.860 8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.000 8.453 7.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.883 10.186 6.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.243 9.921 5.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.710 11.285 6.808 1.00 0.00 H new ATOM 108 N PRO A 7 6.757 4.563 7.142 1.00 0.00 N ATOM 109 CA PRO A 7 6.740 3.098 6.988 1.00 0.00 C ATOM 110 C PRO A 7 5.936 2.408 8.086 1.00 0.00 C ATOM 111 O PRO A 7 6.060 2.743 9.265 1.00 0.00 O ATOM 112 CB PRO A 7 8.203 2.724 7.120 1.00 0.00 C ATOM 113 CG PRO A 7 8.942 3.918 6.652 1.00 0.00 C ATOM 114 CD PRO A 7 8.135 5.090 7.105 1.00 0.00 C ATOM 0 HA PRO A 7 6.277 2.794 6.049 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.458 2.480 8.151 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.443 1.848 6.517 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.947 3.947 7.073 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.051 3.912 5.567 1.00 0.00 H new ATOM 0 HD2 PRO A 7 8.456 5.444 8.085 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.225 5.930 6.417 1.00 0.00 H new ATOM 122 N GLY A 8 5.110 1.474 7.689 1.00 0.00 N ATOM 123 CA GLY A 8 4.296 0.755 8.622 1.00 0.00 C ATOM 124 C GLY A 8 2.848 1.162 8.530 1.00 0.00 C ATOM 125 O GLY A 8 1.960 0.372 8.849 1.00 0.00 O ATOM 0 H GLY A 8 4.987 1.195 6.716 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.386 -0.315 8.434 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.660 0.932 9.634 1.00 0.00 H new ATOM 129 N ASP A 9 2.616 2.378 8.060 1.00 0.00 N ATOM 130 CA ASP A 9 1.272 2.942 7.968 1.00 0.00 C ATOM 131 C ASP A 9 0.456 2.302 6.862 1.00 0.00 C ATOM 132 O ASP A 9 0.997 1.837 5.833 1.00 0.00 O ATOM 133 CB ASP A 9 1.331 4.459 7.800 1.00 0.00 C ATOM 134 CG ASP A 9 -0.019 5.120 7.640 1.00 0.00 C ATOM 135 OD1 ASP A 9 -0.776 5.228 8.628 1.00 0.00 O ATOM 136 OD2 ASP A 9 -0.316 5.604 6.543 1.00 0.00 O ATOM 0 H ASP A 9 3.351 3.004 7.731 1.00 0.00 H new ATOM 0 HA ASP A 9 0.764 2.719 8.906 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.833 4.890 8.667 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.943 4.693 6.929 1.00 0.00 H new ATOM 141 N LEU A 10 -0.823 2.277 7.086 1.00 0.00 N ATOM 142 CA LEU A 10 -1.780 1.676 6.221 1.00 0.00 C ATOM 143 C LEU A 10 -2.442 2.729 5.390 1.00 0.00 C ATOM 144 O LEU A 10 -2.987 3.713 5.913 1.00 0.00 O ATOM 145 CB LEU A 10 -2.803 0.968 7.063 1.00 0.00 C ATOM 146 CG LEU A 10 -2.297 -0.211 7.879 1.00 0.00 C ATOM 147 CD1 LEU A 10 -3.443 -0.856 8.640 1.00 0.00 C ATOM 148 CD2 LEU A 10 -1.592 -1.217 6.977 1.00 0.00 C ATOM 0 H LEU A 10 -1.242 2.696 7.916 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.290 0.965 5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.247 1.693 7.746 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.601 0.616 6.409 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.571 0.148 8.608 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.066 -1.699 9.220 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.891 -0.124 9.312 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.195 -1.209 7.935 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.235 -2.055 7.576 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.290 -1.581 6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.746 -0.736 6.487 1.00 0.00 H new ATOM 160 N ILE A 11 -2.442 2.520 4.118 1.00 0.00 N ATOM 161 CA ILE A 11 -2.930 3.486 3.195 1.00 0.00 C ATOM 162 C ILE A 11 -3.722 2.841 2.062 1.00 0.00 C ATOM 163 O ILE A 11 -3.988 1.637 2.045 1.00 0.00 O ATOM 164 CB ILE A 11 -1.756 4.232 2.527 1.00 0.00 C ATOM 165 CG1 ILE A 11 -0.784 3.216 1.959 1.00 0.00 C ATOM 166 CG2 ILE A 11 -1.052 5.162 3.497 1.00 0.00 C ATOM 167 CD1 ILE A 11 0.033 3.731 0.843 1.00 0.00 C ATOM 0 H ILE A 11 -2.099 1.663 3.685 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.567 4.160 3.769 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.152 4.854 1.724 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.122 2.877 2.755 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.343 2.345 1.616 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.232 5.667 2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.760 5.903 3.869 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.658 4.585 4.333 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.703 2.947 0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.620 4.044 0.028 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.620 4.583 1.185 1.00 0.00 H new ATOM 179 N PHE A 12 -4.069 3.674 1.135 1.00 0.00 N ATOM 180 CA PHE A 12 -4.667 3.324 -0.095 1.00 0.00 C ATOM 181 C PHE A 12 -3.819 3.943 -1.162 1.00 0.00 C ATOM 182 O PHE A 12 -3.551 5.153 -1.135 1.00 0.00 O ATOM 183 CB PHE A 12 -6.094 3.829 -0.198 1.00 0.00 C ATOM 184 CG PHE A 12 -7.089 3.058 0.630 1.00 0.00 C ATOM 185 CD1 PHE A 12 -7.626 1.874 0.147 1.00 0.00 C ATOM 186 CD2 PHE A 12 -7.487 3.508 1.875 1.00 0.00 C ATOM 187 CE1 PHE A 12 -8.539 1.156 0.889 1.00 0.00 C ATOM 188 CE2 PHE A 12 -8.402 2.788 2.623 1.00 0.00 C ATOM 189 CZ PHE A 12 -8.928 1.613 2.128 1.00 0.00 C ATOM 0 H PHE A 12 -3.930 4.680 1.232 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.721 2.240 -0.194 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.119 4.875 0.107 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -6.404 3.794 -1.242 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.325 1.510 -0.824 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.081 4.429 2.267 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.949 0.236 0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.705 3.147 3.596 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.644 1.053 2.711 1.00 0.00 H new ATOM 199 N ALA A 13 -3.367 3.135 -2.046 1.00 0.00 N ATOM 200 CA ALA A 13 -2.459 3.533 -3.060 1.00 0.00 C ATOM 201 C ALA A 13 -3.140 3.555 -4.386 1.00 0.00 C ATOM 202 O ALA A 13 -3.812 2.612 -4.759 1.00 0.00 O ATOM 203 CB ALA A 13 -1.324 2.574 -3.084 1.00 0.00 C ATOM 0 H ALA A 13 -3.625 2.149 -2.088 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.092 4.537 -2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.616 2.867 -3.860 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.823 2.578 -2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.699 1.572 -3.294 1.00 0.00 H new ATOM 209 N LYS A 14 -2.971 4.616 -5.092 1.00 0.00 N ATOM 210 CA LYS A 14 -3.597 4.775 -6.335 1.00 0.00 C ATOM 211 C LYS A 14 -2.554 4.791 -7.450 1.00 0.00 C ATOM 212 O LYS A 14 -1.675 5.667 -7.480 1.00 0.00 O ATOM 213 CB LYS A 14 -4.405 6.079 -6.268 1.00 0.00 C ATOM 214 CG LYS A 14 -5.246 6.402 -7.481 1.00 0.00 C ATOM 215 CD LYS A 14 -4.417 6.808 -8.687 1.00 0.00 C ATOM 216 CE LYS A 14 -3.862 8.235 -8.627 1.00 0.00 C ATOM 217 NZ LYS A 14 -2.806 8.394 -7.586 1.00 0.00 N ATOM 0 H LYS A 14 -2.385 5.402 -4.810 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.268 3.946 -6.558 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.061 6.032 -5.398 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.712 6.904 -6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.851 5.533 -7.739 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.936 7.208 -7.233 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.584 6.112 -8.790 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.029 6.708 -9.583 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.451 8.503 -9.600 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.677 8.930 -8.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.193 9.197 -7.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.252 8.570 -6.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.235 7.526 -7.535 1.00 0.00 H new ATOM 231 N MET A 15 -2.700 3.875 -8.383 1.00 0.00 N ATOM 232 CA MET A 15 -1.852 3.803 -9.563 1.00 0.00 C ATOM 233 C MET A 15 -2.671 4.185 -10.773 1.00 0.00 C ATOM 234 O MET A 15 -3.894 4.113 -10.738 1.00 0.00 O ATOM 235 CB MET A 15 -1.257 2.412 -9.785 1.00 0.00 C ATOM 236 CG MET A 15 -0.327 1.937 -8.698 1.00 0.00 C ATOM 237 SD MET A 15 0.538 0.418 -9.146 1.00 0.00 S ATOM 238 CE MET A 15 -0.836 -0.705 -9.395 1.00 0.00 C ATOM 0 H MET A 15 -3.417 3.150 -8.347 1.00 0.00 H new ATOM 0 HA MET A 15 -1.020 4.490 -9.410 1.00 0.00 H new ATOM 0 HB2 MET A 15 -2.073 1.696 -9.883 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.716 2.411 -10.731 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.403 2.717 -8.482 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.896 1.771 -7.783 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.621 -1.657 -8.909 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.740 -0.274 -8.965 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.984 -0.868 -10.463 1.00 0.00 H new ATOM 248 N LYS A 16 -2.014 4.604 -11.826 1.00 0.00 N ATOM 249 CA LYS A 16 -2.704 5.012 -13.036 1.00 0.00 C ATOM 250 C LYS A 16 -3.380 3.802 -13.692 1.00 0.00 C ATOM 251 O LYS A 16 -2.712 2.869 -14.120 1.00 0.00 O ATOM 252 CB LYS A 16 -1.699 5.668 -14.006 1.00 0.00 C ATOM 253 CG LYS A 16 -2.275 6.081 -15.359 1.00 0.00 C ATOM 254 CD LYS A 16 -1.205 6.725 -16.237 1.00 0.00 C ATOM 255 CE LYS A 16 -1.733 7.053 -17.630 1.00 0.00 C ATOM 256 NZ LYS A 16 -2.133 5.827 -18.380 1.00 0.00 N ATOM 0 H LYS A 16 -0.998 4.674 -11.875 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.477 5.739 -12.785 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.277 6.550 -13.524 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.877 4.973 -14.176 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.688 5.208 -15.864 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.097 6.781 -15.210 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.846 7.637 -15.761 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.352 6.052 -16.321 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.590 7.721 -17.545 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.967 7.587 -18.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.275 6.064 -19.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.385 5.109 -18.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.019 5.452 -17.985 1.00 0.00 H new ATOM 270 N GLY A 17 -4.701 3.841 -13.766 1.00 0.00 N ATOM 271 CA GLY A 17 -5.456 2.751 -14.364 1.00 0.00 C ATOM 272 C GLY A 17 -5.976 1.791 -13.311 1.00 0.00 C ATOM 273 O GLY A 17 -6.702 0.823 -13.615 1.00 0.00 O ATOM 0 H GLY A 17 -5.271 4.613 -13.421 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.293 3.156 -14.933 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.822 2.212 -15.068 1.00 0.00 H new ATOM 277 N TYR A 18 -5.624 2.058 -12.080 1.00 0.00 N ATOM 278 CA TYR A 18 -6.008 1.240 -10.967 1.00 0.00 C ATOM 279 C TYR A 18 -6.775 2.067 -9.961 1.00 0.00 C ATOM 280 O TYR A 18 -6.593 3.283 -9.886 1.00 0.00 O ATOM 281 CB TYR A 18 -4.766 0.624 -10.294 1.00 0.00 C ATOM 282 CG TYR A 18 -4.048 -0.419 -11.124 1.00 0.00 C ATOM 283 CD1 TYR A 18 -3.160 -0.059 -12.131 1.00 0.00 C ATOM 284 CD2 TYR A 18 -4.265 -1.770 -10.895 1.00 0.00 C ATOM 285 CE1 TYR A 18 -2.514 -1.017 -12.884 1.00 0.00 C ATOM 286 CE2 TYR A 18 -3.622 -2.732 -11.644 1.00 0.00 C ATOM 287 CZ TYR A 18 -2.750 -2.351 -12.635 1.00 0.00 C ATOM 288 OH TYR A 18 -2.113 -3.309 -13.375 1.00 0.00 O ATOM 0 H TYR A 18 -5.054 2.863 -11.822 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.644 0.434 -11.333 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.065 1.424 -10.055 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.068 0.172 -9.349 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.973 0.987 -12.327 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.949 -2.073 -10.117 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.827 -0.723 -13.664 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.803 -3.779 -11.453 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.391 -4.197 -13.069 1.00 0.00 H new ATOM 298 N PRO A 19 -7.670 1.434 -9.203 1.00 0.00 N ATOM 299 CA PRO A 19 -8.389 2.099 -8.136 1.00 0.00 C ATOM 300 C PRO A 19 -7.478 2.271 -6.929 1.00 0.00 C ATOM 301 O PRO A 19 -6.343 1.763 -6.924 1.00 0.00 O ATOM 302 CB PRO A 19 -9.520 1.122 -7.809 1.00 0.00 C ATOM 303 CG PRO A 19 -8.963 -0.212 -8.144 1.00 0.00 C ATOM 304 CD PRO A 19 -8.050 0.008 -9.313 1.00 0.00 C ATOM 0 HA PRO A 19 -8.748 3.092 -8.408 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.805 1.181 -6.759 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.414 1.338 -8.395 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.420 -0.633 -7.298 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.757 -0.915 -8.395 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.177 -0.643 -9.266 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.553 -0.200 -10.258 1.00 0.00 H new ATOM 312 N HIS A 20 -7.935 3.012 -5.948 1.00 0.00 N ATOM 313 CA HIS A 20 -7.180 3.169 -4.729 1.00 0.00 C ATOM 314 C HIS A 20 -7.143 1.806 -4.028 1.00 0.00 C ATOM 315 O HIS A 20 -8.160 1.320 -3.553 1.00 0.00 O ATOM 316 CB HIS A 20 -7.834 4.224 -3.826 1.00 0.00 C ATOM 317 CG HIS A 20 -7.731 5.637 -4.334 1.00 0.00 C ATOM 318 ND1 HIS A 20 -8.551 6.188 -5.307 1.00 0.00 N ATOM 319 CD2 HIS A 20 -6.876 6.618 -3.978 1.00 0.00 C ATOM 320 CE1 HIS A 20 -8.165 7.455 -5.505 1.00 0.00 C ATOM 321 NE2 HIS A 20 -7.154 7.768 -4.720 1.00 0.00 N ATOM 0 H HIS A 20 -8.823 3.514 -5.970 1.00 0.00 H new ATOM 0 HA HIS A 20 -6.168 3.509 -4.948 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.887 3.973 -3.701 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.375 4.173 -2.839 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -9.314 5.712 -5.788 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.098 6.528 -3.235 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -8.621 8.130 -6.214 1.00 0.00 H new ATOM 329 N TRP A 21 -5.988 1.218 -3.995 1.00 0.00 N ATOM 330 CA TRP A 21 -5.787 -0.137 -3.545 1.00 0.00 C ATOM 331 C TRP A 21 -5.275 -0.121 -2.113 1.00 0.00 C ATOM 332 O TRP A 21 -4.435 0.710 -1.783 1.00 0.00 O ATOM 333 CB TRP A 21 -4.719 -0.752 -4.456 1.00 0.00 C ATOM 334 CG TRP A 21 -4.700 -2.243 -4.523 1.00 0.00 C ATOM 335 CD1 TRP A 21 -4.261 -3.123 -3.578 1.00 0.00 C ATOM 336 CD2 TRP A 21 -5.108 -3.022 -5.641 1.00 0.00 C ATOM 337 NE1 TRP A 21 -4.403 -4.409 -4.036 1.00 0.00 N ATOM 338 CE2 TRP A 21 -4.914 -4.368 -5.310 1.00 0.00 C ATOM 339 CE3 TRP A 21 -5.631 -2.700 -6.898 1.00 0.00 C ATOM 340 CZ2 TRP A 21 -5.221 -5.394 -6.192 1.00 0.00 C ATOM 341 CZ3 TRP A 21 -5.934 -3.720 -7.772 1.00 0.00 C ATOM 342 CH2 TRP A 21 -5.728 -5.054 -7.415 1.00 0.00 C ATOM 0 H TRP A 21 -5.126 1.678 -4.289 1.00 0.00 H new ATOM 0 HA TRP A 21 -6.715 -0.707 -3.581 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -4.862 -0.364 -5.465 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.741 -0.410 -4.119 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -3.861 -2.849 -2.613 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -4.168 -5.255 -3.516 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -5.794 -1.670 -7.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -5.064 -6.428 -5.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -6.336 -3.485 -8.746 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -5.975 -5.834 -8.120 1.00 0.00 H new ATOM 353 N PRO A 22 -5.767 -1.007 -1.243 1.00 0.00 N ATOM 354 CA PRO A 22 -5.281 -1.091 0.132 1.00 0.00 C ATOM 355 C PRO A 22 -3.803 -1.500 0.143 1.00 0.00 C ATOM 356 O PRO A 22 -3.433 -2.587 -0.336 1.00 0.00 O ATOM 357 CB PRO A 22 -6.160 -2.182 0.769 1.00 0.00 C ATOM 358 CG PRO A 22 -6.735 -2.947 -0.376 1.00 0.00 C ATOM 359 CD PRO A 22 -6.819 -1.991 -1.531 1.00 0.00 C ATOM 0 HA PRO A 22 -5.343 -0.144 0.669 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.572 -2.830 1.419 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.947 -1.744 1.383 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.107 -3.802 -0.625 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.721 -3.339 -0.125 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.647 -2.495 -2.482 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.801 -1.522 -1.592 1.00 0.00 H new ATOM 367 N ALA A 23 -2.970 -0.641 0.665 1.00 0.00 N ATOM 368 CA ALA A 23 -1.571 -0.853 0.646 1.00 0.00 C ATOM 369 C ALA A 23 -0.939 -0.384 1.941 1.00 0.00 C ATOM 370 O ALA A 23 -1.585 0.257 2.763 1.00 0.00 O ATOM 371 CB ALA A 23 -0.978 -0.128 -0.531 1.00 0.00 C ATOM 0 H ALA A 23 -3.257 0.228 1.116 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.370 -1.920 0.549 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.100 -0.288 -0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.418 -0.509 -1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.185 0.939 -0.444 1.00 0.00 H new ATOM 377 N ARG A 24 0.281 -0.751 2.139 1.00 0.00 N ATOM 378 CA ARG A 24 1.036 -0.358 3.300 1.00 0.00 C ATOM 379 C ARG A 24 2.314 0.339 2.852 1.00 0.00 C ATOM 380 O ARG A 24 2.914 -0.055 1.846 1.00 0.00 O ATOM 381 CB ARG A 24 1.378 -1.604 4.126 1.00 0.00 C ATOM 382 CG ARG A 24 2.306 -1.357 5.296 1.00 0.00 C ATOM 383 CD ARG A 24 2.725 -2.658 5.953 1.00 0.00 C ATOM 384 NE ARG A 24 3.894 -2.454 6.811 1.00 0.00 N ATOM 385 CZ ARG A 24 5.165 -2.554 6.369 1.00 0.00 C ATOM 386 NH1 ARG A 24 5.396 -2.942 5.112 1.00 0.00 N ATOM 387 NH2 ARG A 24 6.178 -2.288 7.175 1.00 0.00 N ATOM 0 H ARG A 24 0.800 -1.344 1.491 1.00 0.00 H new ATOM 0 HA ARG A 24 0.450 0.327 3.913 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.452 -2.039 4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.834 -2.344 3.469 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.190 -0.819 4.954 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.809 -0.721 6.029 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.899 -3.055 6.544 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.955 -3.400 5.188 1.00 0.00 H new ATOM 0 HE ARG A 24 3.740 -2.225 7.793 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.615 -3.160 4.494 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.354 -3.020 4.770 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.002 -2.005 8.139 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.136 -2.366 6.833 1.00 0.00 H new ATOM 401 N VAL A 25 2.707 1.377 3.556 1.00 0.00 N ATOM 402 CA VAL A 25 3.967 2.044 3.276 1.00 0.00 C ATOM 403 C VAL A 25 5.066 1.174 3.872 1.00 0.00 C ATOM 404 O VAL A 25 5.003 0.834 5.054 1.00 0.00 O ATOM 405 CB VAL A 25 4.030 3.464 3.913 1.00 0.00 C ATOM 406 CG1 VAL A 25 5.323 4.181 3.533 1.00 0.00 C ATOM 407 CG2 VAL A 25 2.825 4.296 3.506 1.00 0.00 C ATOM 0 H VAL A 25 2.175 1.780 4.327 1.00 0.00 H new ATOM 0 HA VAL A 25 4.081 2.173 2.200 1.00 0.00 H new ATOM 0 HB VAL A 25 4.014 3.341 4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.339 5.170 3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.177 3.603 3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.377 4.283 2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.893 5.283 3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.804 4.400 2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.912 3.803 3.841 1.00 0.00 H new ATOM 417 N ASP A 26 6.028 0.794 3.079 1.00 0.00 N ATOM 418 CA ASP A 26 7.066 -0.116 3.554 1.00 0.00 C ATOM 419 C ASP A 26 8.268 0.682 4.048 1.00 0.00 C ATOM 420 O ASP A 26 8.330 1.905 3.850 1.00 0.00 O ATOM 421 CB ASP A 26 7.484 -1.085 2.444 1.00 0.00 C ATOM 422 CG ASP A 26 8.123 -2.341 2.985 1.00 0.00 C ATOM 423 OD1 ASP A 26 7.380 -3.235 3.433 1.00 0.00 O ATOM 424 OD2 ASP A 26 9.364 -2.461 2.985 1.00 0.00 O ATOM 0 H ASP A 26 6.127 1.089 2.108 1.00 0.00 H new ATOM 0 HA ASP A 26 6.667 -0.702 4.382 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.609 -1.352 1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.183 -0.585 1.774 1.00 0.00 H new ATOM 429 N GLU A 27 9.205 0.020 4.669 1.00 0.00 N ATOM 430 CA GLU A 27 10.365 0.675 5.213 1.00 0.00 C ATOM 431 C GLU A 27 11.594 0.536 4.342 1.00 0.00 C ATOM 432 O GLU A 27 12.024 -0.567 3.991 1.00 0.00 O ATOM 433 CB GLU A 27 10.670 0.307 6.697 1.00 0.00 C ATOM 434 CG GLU A 27 10.660 -1.180 7.061 1.00 0.00 C ATOM 435 CD GLU A 27 9.261 -1.748 7.210 1.00 0.00 C ATOM 436 OE1 GLU A 27 8.668 -1.613 8.266 1.00 0.00 O ATOM 437 OE2 GLU A 27 8.738 -2.351 6.251 1.00 0.00 O ATOM 0 H GLU A 27 9.187 -0.990 4.813 1.00 0.00 H new ATOM 0 HA GLU A 27 10.093 1.730 5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.650 0.711 6.952 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.941 0.815 7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.193 -1.740 6.292 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.205 -1.323 7.994 1.00 0.00 H new ATOM 597 N LYS A 39 9.394 9.346 -3.805 1.00 0.00 N ATOM 598 CA LYS A 39 8.312 8.426 -3.704 1.00 0.00 C ATOM 599 C LYS A 39 8.543 7.476 -2.582 1.00 0.00 C ATOM 600 O LYS A 39 9.678 7.321 -2.103 1.00 0.00 O ATOM 601 CB LYS A 39 8.110 7.689 -5.012 1.00 0.00 C ATOM 602 CG LYS A 39 7.659 8.615 -6.091 1.00 0.00 C ATOM 603 CD LYS A 39 7.491 7.940 -7.411 1.00 0.00 C ATOM 604 CE LYS A 39 6.961 8.942 -8.393 1.00 0.00 C ATOM 605 NZ LYS A 39 7.883 10.110 -8.542 1.00 0.00 N ATOM 0 HA LYS A 39 7.400 8.984 -3.493 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.042 7.208 -5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.372 6.898 -4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.712 9.069 -5.799 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.383 9.424 -6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.444 7.539 -7.756 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.805 7.098 -7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.821 8.463 -9.362 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.982 9.291 -8.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.670 10.609 -9.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.753 10.759 -7.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.867 9.775 -8.561 1.00 0.00 H new ATOM 619 N LEU A 40 7.494 6.851 -2.180 1.00 0.00 N ATOM 620 CA LEU A 40 7.509 5.944 -1.061 1.00 0.00 C ATOM 621 C LEU A 40 7.262 4.528 -1.553 1.00 0.00 C ATOM 622 O LEU A 40 6.559 4.338 -2.560 1.00 0.00 O ATOM 623 CB LEU A 40 6.415 6.349 -0.060 1.00 0.00 C ATOM 624 CG LEU A 40 6.536 7.751 0.562 1.00 0.00 C ATOM 625 CD1 LEU A 40 5.301 8.072 1.365 1.00 0.00 C ATOM 626 CD2 LEU A 40 7.762 7.848 1.456 1.00 0.00 C ATOM 0 H LEU A 40 6.579 6.949 -2.620 1.00 0.00 H new ATOM 0 HA LEU A 40 8.480 5.987 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.451 6.282 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.405 5.617 0.748 1.00 0.00 H new ATOM 0 HG LEU A 40 6.640 8.470 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.398 9.067 1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.427 8.045 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.184 7.337 2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.823 8.849 1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.685 7.115 2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.658 7.649 0.868 1.00 0.00 H new ATOM 638 N PRO A 41 7.862 3.515 -0.893 1.00 0.00 N ATOM 639 CA PRO A 41 7.618 2.124 -1.241 1.00 0.00 C ATOM 640 C PRO A 41 6.227 1.713 -0.759 1.00 0.00 C ATOM 641 O PRO A 41 5.901 1.821 0.434 1.00 0.00 O ATOM 642 CB PRO A 41 8.718 1.364 -0.479 1.00 0.00 C ATOM 643 CG PRO A 41 9.066 2.239 0.678 1.00 0.00 C ATOM 644 CD PRO A 41 8.808 3.656 0.238 1.00 0.00 C ATOM 0 HA PRO A 41 7.646 1.926 -2.313 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.363 0.389 -0.143 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.586 1.186 -1.114 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.462 1.988 1.550 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.109 2.106 0.965 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.380 4.252 1.044 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.728 4.152 -0.071 1.00 0.00 H new ATOM 652 N ILE A 42 5.414 1.264 -1.665 1.00 0.00 N ATOM 653 CA ILE A 42 4.047 0.950 -1.364 1.00 0.00 C ATOM 654 C ILE A 42 3.780 -0.524 -1.610 1.00 0.00 C ATOM 655 O ILE A 42 3.774 -0.972 -2.742 1.00 0.00 O ATOM 656 CB ILE A 42 3.086 1.784 -2.244 1.00 0.00 C ATOM 657 CG1 ILE A 42 3.375 3.303 -2.141 1.00 0.00 C ATOM 658 CG2 ILE A 42 1.648 1.484 -1.895 1.00 0.00 C ATOM 659 CD1 ILE A 42 3.295 3.878 -0.739 1.00 0.00 C ATOM 0 H ILE A 42 5.678 1.104 -2.637 1.00 0.00 H new ATOM 0 HA ILE A 42 3.873 1.188 -0.315 1.00 0.00 H new ATOM 0 HB ILE A 42 3.259 1.494 -3.280 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.371 3.496 -2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.668 3.836 -2.777 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.989 2.081 -2.525 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.447 0.425 -2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.469 1.729 -0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.513 4.946 -0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.293 3.724 -0.339 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.022 3.378 -0.099 1.00 0.00 H new ATOM 671 N PHE A 43 3.561 -1.246 -0.568 1.00 0.00 N ATOM 672 CA PHE A 43 3.306 -2.672 -0.645 1.00 0.00 C ATOM 673 C PHE A 43 1.808 -2.916 -0.758 1.00 0.00 C ATOM 674 O PHE A 43 1.054 -2.529 0.133 1.00 0.00 O ATOM 675 CB PHE A 43 3.875 -3.383 0.601 1.00 0.00 C ATOM 676 CG PHE A 43 3.608 -4.867 0.641 1.00 0.00 C ATOM 677 CD1 PHE A 43 4.404 -5.744 -0.069 1.00 0.00 C ATOM 678 CD2 PHE A 43 2.548 -5.379 1.382 1.00 0.00 C ATOM 679 CE1 PHE A 43 4.154 -7.098 -0.044 1.00 0.00 C ATOM 680 CE2 PHE A 43 2.294 -6.733 1.410 1.00 0.00 C ATOM 681 CZ PHE A 43 3.096 -7.593 0.697 1.00 0.00 C ATOM 0 H PHE A 43 3.550 -0.874 0.382 1.00 0.00 H new ATOM 0 HA PHE A 43 3.800 -3.078 -1.528 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.952 -3.218 0.640 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.449 -2.924 1.493 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.231 -5.364 -0.650 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.916 -4.706 1.943 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.784 -7.774 -0.603 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.468 -7.118 1.990 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.900 -8.655 0.716 1.00 0.00 H new ATOM 691 N PHE A 44 1.385 -3.526 -1.847 1.00 0.00 N ATOM 692 CA PHE A 44 -0.035 -3.821 -2.052 1.00 0.00 C ATOM 693 C PHE A 44 -0.459 -5.095 -1.357 1.00 0.00 C ATOM 694 O PHE A 44 0.198 -6.149 -1.485 1.00 0.00 O ATOM 695 CB PHE A 44 -0.384 -3.972 -3.523 1.00 0.00 C ATOM 696 CG PHE A 44 -0.174 -2.767 -4.350 1.00 0.00 C ATOM 697 CD1 PHE A 44 -0.953 -1.643 -4.166 1.00 0.00 C ATOM 698 CD2 PHE A 44 0.778 -2.766 -5.338 1.00 0.00 C ATOM 699 CE1 PHE A 44 -0.776 -0.536 -4.953 1.00 0.00 C ATOM 700 CE2 PHE A 44 0.960 -1.670 -6.124 1.00 0.00 C ATOM 701 CZ PHE A 44 0.182 -0.547 -5.933 1.00 0.00 C ATOM 0 H PHE A 44 1.995 -3.830 -2.606 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.564 -2.968 -1.627 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.211 -4.785 -3.939 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.430 -4.269 -3.602 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.709 -1.636 -3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.389 -3.643 -5.493 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.388 0.341 -4.802 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.714 -1.679 -6.897 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.328 0.323 -6.556 1.00 0.00 H new ATOM 711 N PHE A 45 -1.566 -5.020 -0.665 1.00 0.00 N ATOM 712 CA PHE A 45 -2.138 -6.176 -0.041 1.00 0.00 C ATOM 713 C PHE A 45 -2.932 -6.963 -1.078 1.00 0.00 C ATOM 714 O PHE A 45 -3.413 -6.394 -2.067 1.00 0.00 O ATOM 715 CB PHE A 45 -3.053 -5.780 1.112 1.00 0.00 C ATOM 716 CG PHE A 45 -2.351 -5.157 2.269 1.00 0.00 C ATOM 717 CD1 PHE A 45 -1.522 -5.912 3.065 1.00 0.00 C ATOM 718 CD2 PHE A 45 -2.531 -3.828 2.574 1.00 0.00 C ATOM 719 CE1 PHE A 45 -0.886 -5.354 4.144 1.00 0.00 C ATOM 720 CE2 PHE A 45 -1.892 -3.264 3.654 1.00 0.00 C ATOM 721 CZ PHE A 45 -1.069 -4.032 4.442 1.00 0.00 C ATOM 0 H PHE A 45 -2.092 -4.158 -0.521 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.332 -6.791 0.360 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.804 -5.083 0.741 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.584 -6.666 1.459 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.370 -6.957 2.838 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.180 -3.221 1.960 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.239 -5.960 4.760 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.037 -2.218 3.882 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.569 -3.594 5.293 1.00 0.00 H new ATOM 731 N GLY A 46 -3.039 -8.251 -0.871 1.00 0.00 N ATOM 732 CA GLY A 46 -3.789 -9.142 -1.743 1.00 0.00 C ATOM 733 C GLY A 46 -3.028 -9.561 -2.974 1.00 0.00 C ATOM 734 O GLY A 46 -3.363 -10.555 -3.603 1.00 0.00 O ATOM 0 H GLY A 46 -2.603 -8.726 -0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.074 -10.032 -1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.712 -8.648 -2.047 1.00 0.00 H new ATOM 738 N THR A 47 -2.011 -8.823 -3.327 1.00 0.00 N ATOM 739 CA THR A 47 -1.189 -9.198 -4.443 1.00 0.00 C ATOM 740 C THR A 47 0.241 -9.431 -3.997 1.00 0.00 C ATOM 741 O THR A 47 0.984 -10.168 -4.637 1.00 0.00 O ATOM 742 CB THR A 47 -1.213 -8.096 -5.507 1.00 0.00 C ATOM 743 OG1 THR A 47 -0.879 -6.841 -4.895 1.00 0.00 O ATOM 744 CG2 THR A 47 -2.580 -7.992 -6.165 1.00 0.00 C ATOM 0 H THR A 47 -1.733 -7.961 -2.859 1.00 0.00 H new ATOM 0 HA THR A 47 -1.586 -10.122 -4.864 1.00 0.00 H new ATOM 0 HB THR A 47 -0.484 -8.346 -6.278 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.891 -6.133 -5.573 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.564 -7.201 -6.915 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.827 -8.940 -6.643 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.331 -7.760 -5.410 1.00 0.00 H new ATOM 752 N HIS A 48 0.606 -8.820 -2.849 1.00 0.00 N ATOM 753 CA HIS A 48 1.956 -8.929 -2.268 1.00 0.00 C ATOM 754 C HIS A 48 2.988 -8.256 -3.163 1.00 0.00 C ATOM 755 O HIS A 48 4.177 -8.562 -3.106 1.00 0.00 O ATOM 756 CB HIS A 48 2.348 -10.399 -1.950 1.00 0.00 C ATOM 757 CG HIS A 48 1.604 -11.000 -0.787 1.00 0.00 C ATOM 758 ND1 HIS A 48 2.164 -11.926 0.069 1.00 0.00 N ATOM 759 CD2 HIS A 48 0.342 -10.806 -0.341 1.00 0.00 C ATOM 760 CE1 HIS A 48 1.274 -12.263 0.990 1.00 0.00 C ATOM 761 NE2 HIS A 48 0.171 -11.598 0.758 1.00 0.00 N ATOM 0 H HIS A 48 -0.029 -8.238 -2.302 1.00 0.00 H new ATOM 0 HA HIS A 48 1.939 -8.402 -1.314 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.170 -11.010 -2.835 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.417 -10.441 -1.743 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.395 -10.146 -0.774 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.431 -12.966 1.795 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -0.683 -11.661 1.312 1.00 0.00 H new ATOM 770 N GLU A 49 2.518 -7.301 -3.933 1.00 0.00 N ATOM 771 CA GLU A 49 3.343 -6.549 -4.850 1.00 0.00 C ATOM 772 C GLU A 49 3.759 -5.238 -4.231 1.00 0.00 C ATOM 773 O GLU A 49 3.344 -4.912 -3.125 1.00 0.00 O ATOM 774 CB GLU A 49 2.586 -6.316 -6.138 1.00 0.00 C ATOM 775 CG GLU A 49 2.395 -7.589 -6.926 1.00 0.00 C ATOM 776 CD GLU A 49 1.524 -7.434 -8.135 1.00 0.00 C ATOM 777 OE1 GLU A 49 0.292 -7.441 -7.992 1.00 0.00 O ATOM 778 OE2 GLU A 49 2.032 -7.420 -9.258 1.00 0.00 O ATOM 0 H GLU A 49 1.537 -7.021 -3.940 1.00 0.00 H new ATOM 0 HA GLU A 49 4.246 -7.119 -5.069 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.612 -5.881 -5.912 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.125 -5.591 -6.748 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.371 -7.960 -7.239 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.961 -8.346 -6.273 1.00 0.00 H new ATOM 785 N THR A 50 4.583 -4.489 -4.907 1.00 0.00 N ATOM 786 CA THR A 50 5.039 -3.236 -4.381 1.00 0.00 C ATOM 787 C THR A 50 5.179 -2.223 -5.509 1.00 0.00 C ATOM 788 O THR A 50 5.545 -2.566 -6.629 1.00 0.00 O ATOM 789 CB THR A 50 6.387 -3.406 -3.660 1.00 0.00 C ATOM 790 OG1 THR A 50 6.309 -4.547 -2.797 1.00 0.00 O ATOM 791 CG2 THR A 50 6.718 -2.186 -2.809 1.00 0.00 C ATOM 0 H THR A 50 4.953 -4.726 -5.827 1.00 0.00 H new ATOM 0 HA THR A 50 4.305 -2.876 -3.660 1.00 0.00 H new ATOM 0 HB THR A 50 7.164 -3.531 -4.414 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.164 -4.665 -2.333 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.677 -2.338 -2.313 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.775 -1.303 -3.445 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.940 -2.043 -2.059 1.00 0.00 H new ATOM 799 N ALA A 51 4.863 -1.015 -5.193 1.00 0.00 N ATOM 800 CA ALA A 51 4.915 0.104 -6.106 1.00 0.00 C ATOM 801 C ALA A 51 5.641 1.257 -5.456 1.00 0.00 C ATOM 802 O ALA A 51 6.055 1.164 -4.296 1.00 0.00 O ATOM 803 CB ALA A 51 3.514 0.548 -6.432 1.00 0.00 C ATOM 0 H ALA A 51 4.547 -0.756 -4.258 1.00 0.00 H new ATOM 0 HA ALA A 51 5.436 -0.201 -7.013 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.551 1.392 -7.121 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.970 -0.275 -6.896 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.005 0.849 -5.516 1.00 0.00 H new ATOM 809 N PHE A 52 5.789 2.329 -6.196 1.00 0.00 N ATOM 810 CA PHE A 52 6.394 3.543 -5.708 1.00 0.00 C ATOM 811 C PHE A 52 5.527 4.702 -6.116 1.00 0.00 C ATOM 812 O PHE A 52 5.434 5.032 -7.301 1.00 0.00 O ATOM 813 CB PHE A 52 7.806 3.731 -6.263 1.00 0.00 C ATOM 814 CG PHE A 52 8.769 2.639 -5.871 1.00 0.00 C ATOM 815 CD1 PHE A 52 9.308 2.603 -4.595 1.00 0.00 C ATOM 816 CD2 PHE A 52 9.118 1.642 -6.770 1.00 0.00 C ATOM 817 CE1 PHE A 52 10.180 1.598 -4.224 1.00 0.00 C ATOM 818 CE2 PHE A 52 9.989 0.634 -6.404 1.00 0.00 C ATOM 819 CZ PHE A 52 10.520 0.612 -5.128 1.00 0.00 C ATOM 0 H PHE A 52 5.488 2.383 -7.169 1.00 0.00 H new ATOM 0 HA PHE A 52 6.475 3.486 -4.623 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.754 3.782 -7.351 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.197 4.688 -5.917 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.043 3.370 -3.882 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.704 1.654 -7.767 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.595 1.584 -3.227 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.255 -0.136 -7.114 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.200 -0.176 -4.839 1.00 0.00 H new ATOM 829 N LEU A 53 4.885 5.296 -5.165 1.00 0.00 N ATOM 830 CA LEU A 53 3.986 6.394 -5.427 1.00 0.00 C ATOM 831 C LEU A 53 4.385 7.569 -4.586 1.00 0.00 C ATOM 832 O LEU A 53 5.159 7.419 -3.631 1.00 0.00 O ATOM 833 CB LEU A 53 2.539 5.994 -5.118 1.00 0.00 C ATOM 834 CG LEU A 53 1.948 4.854 -5.956 1.00 0.00 C ATOM 835 CD1 LEU A 53 0.616 4.452 -5.395 1.00 0.00 C ATOM 836 CD2 LEU A 53 1.787 5.273 -7.414 1.00 0.00 C ATOM 0 H LEU A 53 4.962 5.041 -4.180 1.00 0.00 H new ATOM 0 HA LEU A 53 4.047 6.660 -6.482 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.481 5.710 -4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.908 6.873 -5.246 1.00 0.00 H new ATOM 0 HG LEU A 53 2.634 4.008 -5.916 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.199 3.642 -5.993 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.741 4.116 -4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.061 5.306 -5.418 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.366 4.446 -7.986 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.119 6.133 -7.474 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.760 5.540 -7.825 1.00 0.00 H new ATOM 848 N GLY A 54 3.892 8.729 -4.936 1.00 0.00 N ATOM 849 CA GLY A 54 4.197 9.892 -4.182 1.00 0.00 C ATOM 850 C GLY A 54 3.249 10.018 -3.021 1.00 0.00 C ATOM 851 O GLY A 54 2.182 9.406 -3.036 1.00 0.00 O ATOM 0 H GLY A 54 3.280 8.882 -5.738 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.224 9.841 -3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.127 10.775 -4.817 1.00 0.00 H new ATOM 855 N PRO A 55 3.581 10.831 -2.014 1.00 0.00 N ATOM 856 CA PRO A 55 2.734 11.017 -0.816 1.00 0.00 C ATOM 857 C PRO A 55 1.380 11.649 -1.155 1.00 0.00 C ATOM 858 O PRO A 55 0.460 11.631 -0.372 1.00 0.00 O ATOM 859 CB PRO A 55 3.566 11.956 0.072 1.00 0.00 C ATOM 860 CG PRO A 55 4.519 12.625 -0.863 1.00 0.00 C ATOM 861 CD PRO A 55 4.818 11.621 -1.937 1.00 0.00 C ATOM 0 HA PRO A 55 2.491 10.069 -0.337 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.933 12.684 0.579 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.096 11.401 0.846 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.081 13.529 -1.285 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.430 12.924 -0.344 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.047 12.104 -2.887 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.676 11.000 -1.680 1.00 0.00 H new ATOM 869 N LYS A 56 1.293 12.201 -2.338 1.00 0.00 N ATOM 870 CA LYS A 56 0.079 12.801 -2.828 1.00 0.00 C ATOM 871 C LYS A 56 -0.725 11.861 -3.721 1.00 0.00 C ATOM 872 O LYS A 56 -1.708 12.253 -4.341 1.00 0.00 O ATOM 873 CB LYS A 56 0.393 14.118 -3.520 1.00 0.00 C ATOM 874 CG LYS A 56 1.627 14.142 -4.458 1.00 0.00 C ATOM 875 CD LYS A 56 1.498 13.281 -5.718 1.00 0.00 C ATOM 876 CE LYS A 56 0.337 13.704 -6.624 1.00 0.00 C ATOM 877 NZ LYS A 56 0.280 12.869 -7.850 1.00 0.00 N ATOM 0 H LYS A 56 2.072 12.247 -2.995 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.561 13.005 -1.970 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.481 14.412 -4.102 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.536 14.879 -2.752 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.817 15.173 -4.758 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.499 13.808 -3.895 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.429 13.334 -6.283 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.361 12.240 -5.426 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.603 13.618 -6.079 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.451 14.752 -6.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.520 13.451 -8.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.959 12.086 -7.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.680 12.485 -7.964 1.00 0.00 H new ATOM 891 N ASP A 57 -0.262 10.659 -3.822 1.00 0.00 N ATOM 892 CA ASP A 57 -0.955 9.620 -4.594 1.00 0.00 C ATOM 893 C ASP A 57 -1.461 8.533 -3.702 1.00 0.00 C ATOM 894 O ASP A 57 -2.057 7.541 -4.177 1.00 0.00 O ATOM 895 CB ASP A 57 -0.082 9.022 -5.709 1.00 0.00 C ATOM 896 CG ASP A 57 0.090 9.958 -6.863 1.00 0.00 C ATOM 897 OD1 ASP A 57 -0.895 10.192 -7.610 1.00 0.00 O ATOM 898 OD2 ASP A 57 1.183 10.507 -7.047 1.00 0.00 O ATOM 0 H ASP A 57 0.603 10.346 -3.382 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.801 10.113 -5.073 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.897 8.767 -5.303 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.533 8.094 -6.061 1.00 0.00 H new ATOM 903 N ILE A 58 -1.238 8.710 -2.427 1.00 0.00 N ATOM 904 CA ILE A 58 -1.653 7.775 -1.426 1.00 0.00 C ATOM 905 C ILE A 58 -2.452 8.484 -0.365 1.00 0.00 C ATOM 906 O ILE A 58 -2.257 9.670 -0.117 1.00 0.00 O ATOM 907 CB ILE A 58 -0.448 7.082 -0.771 1.00 0.00 C ATOM 908 CG1 ILE A 58 0.549 8.116 -0.251 1.00 0.00 C ATOM 909 CG2 ILE A 58 0.209 6.126 -1.738 1.00 0.00 C ATOM 910 CD1 ILE A 58 1.770 7.525 0.382 1.00 0.00 C ATOM 0 H ILE A 58 -0.753 9.525 -2.052 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.266 7.016 -1.913 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.804 6.502 0.080 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.856 8.757 -1.078 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.048 8.754 0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.060 5.646 -1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.510 5.366 -2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.553 6.674 -2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.426 8.325 0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.477 6.908 1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.297 6.911 -0.348 1.00 0.00 H new ATOM 922 N PHE A 59 -3.349 7.772 0.239 1.00 0.00 N ATOM 923 CA PHE A 59 -4.188 8.319 1.273 1.00 0.00 C ATOM 924 C PHE A 59 -4.269 7.316 2.409 1.00 0.00 C ATOM 925 O PHE A 59 -4.313 6.131 2.154 1.00 0.00 O ATOM 926 CB PHE A 59 -5.594 8.607 0.734 1.00 0.00 C ATOM 927 CG PHE A 59 -5.654 9.595 -0.404 1.00 0.00 C ATOM 928 CD1 PHE A 59 -5.710 10.957 -0.157 1.00 0.00 C ATOM 929 CD2 PHE A 59 -5.649 9.158 -1.716 1.00 0.00 C ATOM 930 CE1 PHE A 59 -5.760 11.862 -1.201 1.00 0.00 C ATOM 931 CE2 PHE A 59 -5.699 10.055 -2.762 1.00 0.00 C ATOM 932 CZ PHE A 59 -5.754 11.409 -2.506 1.00 0.00 C ATOM 0 H PHE A 59 -3.526 6.789 0.032 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.761 9.258 1.627 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.039 7.668 0.403 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.210 8.981 1.552 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.715 11.316 0.862 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.605 8.099 -1.924 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.804 12.922 -0.997 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.695 9.697 -3.781 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.792 12.113 -3.324 1.00 0.00 H new ATOM 942 N PRO A 60 -4.284 7.774 3.667 1.00 0.00 N ATOM 943 CA PRO A 60 -4.312 6.884 4.841 1.00 0.00 C ATOM 944 C PRO A 60 -5.586 6.074 4.936 1.00 0.00 C ATOM 945 O PRO A 60 -6.694 6.602 4.705 1.00 0.00 O ATOM 946 CB PRO A 60 -4.195 7.840 6.033 1.00 0.00 C ATOM 947 CG PRO A 60 -4.607 9.174 5.515 1.00 0.00 C ATOM 948 CD PRO A 60 -4.281 9.193 4.049 1.00 0.00 C ATOM 0 HA PRO A 60 -3.513 6.144 4.794 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.837 7.523 6.855 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.175 7.866 6.417 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.672 9.338 5.676 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.079 9.971 6.038 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.020 9.761 3.483 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.312 9.655 3.861 1.00 0.00 H new ATOM 956 N TYR A 61 -5.427 4.800 5.283 1.00 0.00 N ATOM 957 CA TYR A 61 -6.536 3.874 5.460 1.00 0.00 C ATOM 958 C TYR A 61 -7.506 4.414 6.477 1.00 0.00 C ATOM 959 O TYR A 61 -8.694 4.405 6.257 1.00 0.00 O ATOM 960 CB TYR A 61 -6.023 2.463 5.888 1.00 0.00 C ATOM 961 CG TYR A 61 -7.092 1.537 6.487 1.00 0.00 C ATOM 962 CD1 TYR A 61 -7.912 0.738 5.692 1.00 0.00 C ATOM 963 CD2 TYR A 61 -7.286 1.495 7.868 1.00 0.00 C ATOM 964 CE1 TYR A 61 -8.899 -0.063 6.263 1.00 0.00 C ATOM 965 CE2 TYR A 61 -8.249 0.699 8.434 1.00 0.00 C ATOM 966 CZ TYR A 61 -9.054 -0.074 7.640 1.00 0.00 C ATOM 967 OH TYR A 61 -10.046 -0.820 8.227 1.00 0.00 O ATOM 0 H TYR A 61 -4.513 4.379 5.451 1.00 0.00 H new ATOM 0 HA TYR A 61 -7.051 3.769 4.505 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.586 1.973 5.018 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.224 2.590 6.618 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.781 0.740 4.620 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.663 2.104 8.507 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.537 -0.670 5.638 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.373 0.682 9.507 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.854 -1.773 8.104 1.00 0.00 H new ATOM 977 N SER A 62 -6.970 4.947 7.544 1.00 0.00 N ATOM 978 CA SER A 62 -7.749 5.424 8.666 1.00 0.00 C ATOM 979 C SER A 62 -8.841 6.434 8.242 1.00 0.00 C ATOM 980 O SER A 62 -9.985 6.333 8.673 1.00 0.00 O ATOM 981 CB SER A 62 -6.795 6.047 9.669 1.00 0.00 C ATOM 982 OG SER A 62 -5.682 5.178 9.875 1.00 0.00 O ATOM 0 H SER A 62 -5.964 5.065 7.663 1.00 0.00 H new ATOM 0 HA SER A 62 -8.278 4.582 9.112 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.451 7.015 9.306 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.310 6.225 10.613 1.00 0.00 H new ATOM 0 HG SER A 62 -5.066 5.583 10.521 1.00 0.00 H new ATOM 988 N GLU A 63 -8.485 7.357 7.367 1.00 0.00 N ATOM 989 CA GLU A 63 -9.411 8.402 6.951 1.00 0.00 C ATOM 990 C GLU A 63 -10.134 8.044 5.650 1.00 0.00 C ATOM 991 O GLU A 63 -11.156 8.628 5.309 1.00 0.00 O ATOM 992 CB GLU A 63 -8.664 9.727 6.775 1.00 0.00 C ATOM 993 CG GLU A 63 -7.879 10.167 8.001 1.00 0.00 C ATOM 994 CD GLU A 63 -7.206 11.506 7.816 1.00 0.00 C ATOM 995 OE1 GLU A 63 -6.056 11.570 7.286 1.00 0.00 O ATOM 996 OE2 GLU A 63 -7.781 12.540 8.218 1.00 0.00 O ATOM 0 H GLU A 63 -7.565 7.407 6.930 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.162 8.501 7.735 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.979 9.636 5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.383 10.505 6.519 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.551 10.219 8.858 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.124 9.415 8.233 1.00 0.00 H new ATOM 1003 N ASN A 64 -9.615 7.089 4.920 1.00 0.00 N ATOM 1004 CA ASN A 64 -10.162 6.805 3.607 1.00 0.00 C ATOM 1005 C ASN A 64 -10.753 5.418 3.500 1.00 0.00 C ATOM 1006 O ASN A 64 -11.122 4.987 2.405 1.00 0.00 O ATOM 1007 CB ASN A 64 -9.096 7.010 2.519 1.00 0.00 C ATOM 1008 CG ASN A 64 -8.614 8.457 2.394 1.00 0.00 C ATOM 1009 OD1 ASN A 64 -9.124 9.242 1.577 1.00 0.00 O ATOM 1010 ND2 ASN A 64 -7.646 8.824 3.191 1.00 0.00 N ATOM 0 H ASN A 64 -8.829 6.502 5.201 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.978 7.511 3.455 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.241 6.369 2.735 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.502 6.688 1.560 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.288 9.778 3.153 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.248 8.156 3.851 1.00 0.00 H new ATOM 1017 N LYS A 65 -10.900 4.733 4.618 1.00 0.00 N ATOM 1018 CA LYS A 65 -11.411 3.359 4.589 1.00 0.00 C ATOM 1019 C LYS A 65 -12.876 3.330 4.182 1.00 0.00 C ATOM 1020 O LYS A 65 -13.303 2.473 3.442 1.00 0.00 O ATOM 1021 CB LYS A 65 -11.193 2.623 5.925 1.00 0.00 C ATOM 1022 CG LYS A 65 -12.067 3.072 7.074 1.00 0.00 C ATOM 1023 CD LYS A 65 -11.779 2.276 8.341 1.00 0.00 C ATOM 1024 CE LYS A 65 -12.820 2.540 9.421 1.00 0.00 C ATOM 1025 NZ LYS A 65 -14.165 2.034 9.034 1.00 0.00 N ATOM 0 H LYS A 65 -10.679 5.090 5.548 1.00 0.00 H new ATOM 0 HA LYS A 65 -10.835 2.823 3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.358 1.558 5.762 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.150 2.743 6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.902 4.133 7.264 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.116 2.956 6.801 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.760 1.212 8.106 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.790 2.537 8.718 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.507 2.064 10.350 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.878 3.611 9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.897 2.663 9.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.242 2.010 7.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.298 1.075 9.414 1.00 0.00 H new ATOM 1039 N GLU A 66 -13.612 4.325 4.602 1.00 0.00 N ATOM 1040 CA GLU A 66 -15.040 4.401 4.298 1.00 0.00 C ATOM 1041 C GLU A 66 -15.211 4.761 2.827 1.00 0.00 C ATOM 1042 O GLU A 66 -16.226 4.446 2.182 1.00 0.00 O ATOM 1043 CB GLU A 66 -15.714 5.460 5.185 1.00 0.00 C ATOM 1044 CG GLU A 66 -15.305 5.406 6.666 1.00 0.00 C ATOM 1045 CD GLU A 66 -15.576 4.074 7.364 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -15.168 3.017 6.843 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -16.062 4.065 8.501 1.00 0.00 O ATOM 0 H GLU A 66 -13.257 5.103 5.158 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.510 3.438 4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.478 6.449 4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.795 5.339 5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.241 5.628 6.741 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.834 6.194 7.202 1.00 0.00 H new ATOM 1054 N LYS A 67 -14.173 5.363 2.287 1.00 0.00 N ATOM 1055 CA LYS A 67 -14.164 5.824 0.927 1.00 0.00 C ATOM 1056 C LYS A 67 -13.810 4.702 -0.010 1.00 0.00 C ATOM 1057 O LYS A 67 -14.611 4.306 -0.859 1.00 0.00 O ATOM 1058 CB LYS A 67 -13.109 6.910 0.737 1.00 0.00 C ATOM 1059 CG LYS A 67 -13.205 8.050 1.702 1.00 0.00 C ATOM 1060 CD LYS A 67 -12.125 9.095 1.460 1.00 0.00 C ATOM 1061 CE LYS A 67 -12.090 9.615 0.027 1.00 0.00 C ATOM 1062 NZ LYS A 67 -10.915 10.490 -0.191 1.00 0.00 N ATOM 0 H LYS A 67 -13.305 5.545 2.791 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.161 6.209 0.711 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.121 6.458 0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.189 7.302 -0.277 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.186 8.516 1.616 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.121 7.671 2.720 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.284 9.933 2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.154 8.666 1.706 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.057 8.776 -0.668 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.005 10.169 -0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.509 10.298 -1.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.209 11.486 -0.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.201 10.301 0.541 1.00 0.00 H new ATOM 1076 N TYR A 68 -12.644 4.149 0.191 1.00 0.00 N ATOM 1077 CA TYR A 68 -12.081 3.226 -0.761 1.00 0.00 C ATOM 1078 C TYR A 68 -12.142 1.795 -0.290 1.00 0.00 C ATOM 1079 O TYR A 68 -11.880 0.878 -1.057 1.00 0.00 O ATOM 1080 CB TYR A 68 -10.643 3.609 -1.054 1.00 0.00 C ATOM 1081 CG TYR A 68 -10.452 5.065 -1.423 1.00 0.00 C ATOM 1082 CD1 TYR A 68 -11.119 5.631 -2.495 1.00 0.00 C ATOM 1083 CD2 TYR A 68 -9.575 5.853 -0.713 1.00 0.00 C ATOM 1084 CE1 TYR A 68 -10.907 6.955 -2.846 1.00 0.00 C ATOM 1085 CE2 TYR A 68 -9.358 7.169 -1.044 1.00 0.00 C ATOM 1086 CZ TYR A 68 -10.020 7.717 -2.109 1.00 0.00 C ATOM 1087 OH TYR A 68 -9.784 9.033 -2.452 1.00 0.00 O ATOM 0 H TYR A 68 -12.062 4.322 1.010 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.682 3.291 -1.668 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.033 3.385 -0.179 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.272 2.987 -1.869 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -11.814 5.033 -3.066 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.044 5.426 0.125 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -11.430 7.387 -3.687 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -8.669 7.767 -0.467 1.00 0.00 H new ATOM 0 HH TYR A 68 -10.587 9.412 -2.867 1.00 0.00 H new ATOM 1097 N GLY A 69 -12.529 1.597 0.950 1.00 0.00 N ATOM 1098 CA GLY A 69 -12.582 0.267 1.526 1.00 0.00 C ATOM 1099 C GLY A 69 -13.819 -0.506 1.107 1.00 0.00 C ATOM 1100 O GLY A 69 -14.582 -0.973 1.935 1.00 0.00 O ATOM 0 H GLY A 69 -12.814 2.343 1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.693 -0.289 1.228 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.559 0.345 2.613 1.00 0.00 H new ATOM 1104 N LYS A 70 -14.051 -0.574 -0.171 1.00 0.00 N ATOM 1105 CA LYS A 70 -15.143 -1.333 -0.711 1.00 0.00 C ATOM 1106 C LYS A 70 -14.643 -2.175 -1.868 1.00 0.00 C ATOM 1107 O LYS A 70 -13.915 -1.681 -2.727 1.00 0.00 O ATOM 1108 CB LYS A 70 -16.333 -0.438 -1.074 1.00 0.00 C ATOM 1109 CG LYS A 70 -15.980 0.728 -1.963 1.00 0.00 C ATOM 1110 CD LYS A 70 -17.149 1.702 -2.135 1.00 0.00 C ATOM 1111 CE LYS A 70 -17.678 2.227 -0.786 1.00 0.00 C ATOM 1112 NZ LYS A 70 -16.595 2.756 0.077 1.00 0.00 N ATOM 0 H LYS A 70 -13.484 -0.101 -0.874 1.00 0.00 H new ATOM 0 HA LYS A 70 -15.526 -2.013 0.050 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -17.090 -1.044 -1.571 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.781 -0.058 -0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.127 1.259 -1.541 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.672 0.357 -2.941 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -16.830 2.544 -2.750 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.957 1.204 -2.671 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.411 3.013 -0.967 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -18.195 1.422 -0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.989 3.453 0.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.164 1.975 0.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.871 3.212 -0.514 1.00 0.00 H new ATOM 1126 N PRO A 71 -15.003 -3.448 -1.891 1.00 0.00 N ATOM 1127 CA PRO A 71 -14.464 -4.394 -2.842 1.00 0.00 C ATOM 1128 C PRO A 71 -14.820 -4.137 -4.292 1.00 0.00 C ATOM 1129 O PRO A 71 -15.978 -3.983 -4.661 1.00 0.00 O ATOM 1130 CB PRO A 71 -15.003 -5.745 -2.399 1.00 0.00 C ATOM 1131 CG PRO A 71 -16.167 -5.457 -1.514 1.00 0.00 C ATOM 1132 CD PRO A 71 -15.989 -4.059 -0.988 1.00 0.00 C ATOM 0 HA PRO A 71 -13.376 -4.321 -2.833 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -15.306 -6.344 -3.258 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -14.240 -6.313 -1.867 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -17.102 -5.544 -2.067 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -16.214 -6.174 -0.694 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -16.930 -3.509 -0.997 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.633 -4.065 0.042 1.00 0.00 H new ATOM 1140 N ASN A 72 -13.791 -4.124 -5.101 1.00 0.00 N ATOM 1141 CA ASN A 72 -13.934 -4.024 -6.555 1.00 0.00 C ATOM 1142 C ASN A 72 -13.932 -5.419 -7.069 1.00 0.00 C ATOM 1143 O ASN A 72 -13.988 -6.359 -6.289 1.00 0.00 O ATOM 1144 CB ASN A 72 -12.738 -3.291 -7.227 1.00 0.00 C ATOM 1145 CG ASN A 72 -12.640 -1.804 -6.972 1.00 0.00 C ATOM 1146 OD1 ASN A 72 -12.171 -1.062 -7.826 1.00 0.00 O ATOM 1147 ND2 ASN A 72 -13.035 -1.380 -5.826 1.00 0.00 N ATOM 0 H ASN A 72 -12.824 -4.182 -4.782 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.842 -3.464 -6.780 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.814 -3.759 -6.887 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.799 -3.451 -8.303 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -12.964 -0.389 -5.597 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.419 -2.035 -5.145 1.00 0.00 H new ATOM 1154 N LYS A 73 -13.865 -5.593 -8.346 1.00 0.00 N ATOM 1155 CA LYS A 73 -13.673 -6.916 -8.864 1.00 0.00 C ATOM 1156 C LYS A 73 -12.303 -7.056 -9.459 1.00 0.00 C ATOM 1157 O LYS A 73 -12.050 -7.855 -10.336 1.00 0.00 O ATOM 1158 CB LYS A 73 -14.842 -7.422 -9.725 1.00 0.00 C ATOM 1159 CG LYS A 73 -16.126 -7.642 -8.892 1.00 0.00 C ATOM 1160 CD LYS A 73 -15.830 -8.527 -7.664 1.00 0.00 C ATOM 1161 CE LYS A 73 -17.019 -8.708 -6.747 1.00 0.00 C ATOM 1162 NZ LYS A 73 -16.623 -9.456 -5.513 1.00 0.00 N ATOM 0 H LYS A 73 -13.938 -4.853 -9.045 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.700 -7.617 -8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.044 -6.703 -10.519 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -14.558 -8.358 -10.207 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -16.525 -6.681 -8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.891 -8.112 -9.510 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.492 -9.506 -8.005 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.009 -8.086 -7.098 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.426 -7.734 -6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.809 -9.249 -7.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.341 -9.312 -4.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.549 -10.470 -5.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.704 -9.106 -5.175 1.00 0.00 H new ATOM 1176 N ARG A 74 -11.400 -6.269 -8.896 1.00 0.00 N ATOM 1177 CA ARG A 74 -9.993 -6.395 -9.183 1.00 0.00 C ATOM 1178 C ARG A 74 -9.473 -7.518 -8.294 1.00 0.00 C ATOM 1179 O ARG A 74 -9.703 -7.482 -7.066 1.00 0.00 O ATOM 1180 CB ARG A 74 -9.254 -5.102 -8.801 1.00 0.00 C ATOM 1181 CG ARG A 74 -9.631 -3.851 -9.584 1.00 0.00 C ATOM 1182 CD ARG A 74 -9.102 -3.871 -11.015 1.00 0.00 C ATOM 1183 NE ARG A 74 -9.420 -2.603 -11.714 1.00 0.00 N ATOM 1184 CZ ARG A 74 -8.534 -1.825 -12.394 1.00 0.00 C ATOM 1185 NH1 ARG A 74 -7.272 -2.227 -12.585 1.00 0.00 N ATOM 1186 NH2 ARG A 74 -8.925 -0.655 -12.896 1.00 0.00 N ATOM 0 H ARG A 74 -11.627 -5.530 -8.231 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.834 -6.592 -10.243 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.429 -4.908 -7.743 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.184 -5.271 -8.922 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.716 -3.753 -9.603 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.241 -2.973 -9.069 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.023 -4.025 -11.006 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.539 -4.709 -11.557 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.389 -2.285 -11.683 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.963 -3.127 -12.219 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.619 -1.633 -13.097 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.888 -0.342 -12.771 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.262 -0.071 -13.406 1.00 0.00 H new ATOM 1200 N LYS A 75 -8.840 -8.521 -8.868 1.00 0.00 N ATOM 1201 CA LYS A 75 -8.272 -9.574 -8.054 1.00 0.00 C ATOM 1202 C LYS A 75 -7.126 -9.022 -7.220 1.00 0.00 C ATOM 1203 O LYS A 75 -6.341 -8.209 -7.704 1.00 0.00 O ATOM 1204 CB LYS A 75 -7.822 -10.796 -8.875 1.00 0.00 C ATOM 1205 CG LYS A 75 -7.137 -11.824 -7.996 1.00 0.00 C ATOM 1206 CD LYS A 75 -6.834 -13.128 -8.669 1.00 0.00 C ATOM 1207 CE LYS A 75 -6.094 -14.041 -7.686 1.00 0.00 C ATOM 1208 NZ LYS A 75 -6.837 -14.203 -6.402 1.00 0.00 N ATOM 0 H LYS A 75 -8.708 -8.629 -9.874 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.061 -9.932 -7.393 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.686 -11.248 -9.363 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.141 -10.477 -9.664 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.205 -11.399 -7.623 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.768 -12.017 -7.129 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.757 -13.603 -9.001 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.225 -12.960 -9.557 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.944 -15.019 -8.143 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.106 -13.629 -7.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.480 -15.040 -5.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.699 -13.358 -5.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.851 -14.325 -6.600 1.00 0.00 H new ATOM 1222 N GLY A 76 -7.053 -9.449 -5.979 1.00 0.00 N ATOM 1223 CA GLY A 76 -6.073 -8.937 -5.076 1.00 0.00 C ATOM 1224 C GLY A 76 -6.638 -7.826 -4.231 1.00 0.00 C ATOM 1225 O GLY A 76 -6.197 -7.599 -3.132 1.00 0.00 O ATOM 0 H GLY A 76 -7.671 -10.156 -5.579 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.713 -9.740 -4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.214 -8.569 -5.638 1.00 0.00 H new ATOM 1229 N PHE A 77 -7.658 -7.158 -4.734 1.00 0.00 N ATOM 1230 CA PHE A 77 -8.250 -6.047 -4.027 1.00 0.00 C ATOM 1231 C PHE A 77 -9.115 -6.568 -2.881 1.00 0.00 C ATOM 1232 O PHE A 77 -9.012 -6.112 -1.753 1.00 0.00 O ATOM 1233 CB PHE A 77 -9.086 -5.202 -4.996 1.00 0.00 C ATOM 1234 CG PHE A 77 -9.535 -3.882 -4.449 1.00 0.00 C ATOM 1235 CD1 PHE A 77 -10.644 -3.785 -3.629 1.00 0.00 C ATOM 1236 CD2 PHE A 77 -8.841 -2.733 -4.761 1.00 0.00 C ATOM 1237 CE1 PHE A 77 -11.046 -2.567 -3.132 1.00 0.00 C ATOM 1238 CE2 PHE A 77 -9.240 -1.512 -4.267 1.00 0.00 C ATOM 1239 CZ PHE A 77 -10.344 -1.429 -3.452 1.00 0.00 C ATOM 0 H PHE A 77 -8.093 -7.369 -5.632 1.00 0.00 H new ATOM 0 HA PHE A 77 -7.463 -5.419 -3.610 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -8.502 -5.026 -5.899 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.965 -5.775 -5.291 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -11.201 -4.675 -3.376 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.973 -2.791 -5.401 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -11.913 -2.505 -2.491 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -8.686 -0.620 -4.519 1.00 0.00 H new ATOM 0 HZ PHE A 77 -10.659 -0.472 -3.064 1.00 0.00 H new ATOM 1249 N ASN A 78 -9.949 -7.562 -3.184 1.00 0.00 N ATOM 1250 CA ASN A 78 -10.865 -8.158 -2.168 1.00 0.00 C ATOM 1251 C ASN A 78 -10.045 -8.888 -1.129 1.00 0.00 C ATOM 1252 O ASN A 78 -10.309 -8.825 0.064 1.00 0.00 O ATOM 1253 CB ASN A 78 -11.889 -9.151 -2.813 1.00 0.00 C ATOM 1254 CG ASN A 78 -12.898 -8.506 -3.778 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -14.035 -8.987 -3.964 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -12.515 -7.424 -4.389 1.00 0.00 N ATOM 0 H ASN A 78 -10.022 -7.980 -4.112 1.00 0.00 H new ATOM 0 HA ASN A 78 -11.432 -7.348 -1.710 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.336 -9.922 -3.350 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.439 -9.651 -2.016 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -13.148 -6.952 -5.034 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.582 -7.048 -4.223 1.00 0.00 H new ATOM 1263 N GLU A 79 -9.012 -9.516 -1.614 1.00 0.00 N ATOM 1264 CA GLU A 79 -8.095 -10.294 -0.820 1.00 0.00 C ATOM 1265 C GLU A 79 -7.222 -9.357 0.023 1.00 0.00 C ATOM 1266 O GLU A 79 -6.925 -9.634 1.182 1.00 0.00 O ATOM 1267 CB GLU A 79 -7.277 -11.141 -1.794 1.00 0.00 C ATOM 1268 CG GLU A 79 -8.190 -12.004 -2.666 1.00 0.00 C ATOM 1269 CD GLU A 79 -7.534 -12.599 -3.886 1.00 0.00 C ATOM 1270 OE1 GLU A 79 -6.993 -13.704 -3.821 1.00 0.00 O ATOM 1271 OE2 GLU A 79 -7.611 -11.977 -4.978 1.00 0.00 O ATOM 0 H GLU A 79 -8.774 -9.502 -2.606 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.610 -10.950 -0.118 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.671 -10.492 -2.426 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.589 -11.778 -1.239 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.589 -12.814 -2.056 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.038 -11.399 -2.987 1.00 0.00 H new ATOM 1278 N GLY A 80 -6.879 -8.217 -0.558 1.00 0.00 N ATOM 1279 CA GLY A 80 -6.089 -7.224 0.123 1.00 0.00 C ATOM 1280 C GLY A 80 -6.836 -6.555 1.230 1.00 0.00 C ATOM 1281 O GLY A 80 -6.245 -6.195 2.235 1.00 0.00 O ATOM 0 H GLY A 80 -7.143 -7.963 -1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.192 -7.693 0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.760 -6.472 -0.594 1.00 0.00 H new ATOM 1285 N LEU A 81 -8.142 -6.379 1.047 1.00 0.00 N ATOM 1286 CA LEU A 81 -8.992 -5.837 2.107 1.00 0.00 C ATOM 1287 C LEU A 81 -8.935 -6.758 3.312 1.00 0.00 C ATOM 1288 O LEU A 81 -8.850 -6.322 4.438 1.00 0.00 O ATOM 1289 CB LEU A 81 -10.442 -5.671 1.633 1.00 0.00 C ATOM 1290 CG LEU A 81 -10.689 -4.628 0.536 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -12.143 -4.661 0.110 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -10.322 -3.230 1.024 1.00 0.00 C ATOM 0 H LEU A 81 -8.634 -6.602 0.181 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.621 -4.849 2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.795 -6.637 1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.055 -5.410 2.496 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.057 -4.871 -0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.311 -3.918 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.387 -5.651 -0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.778 -4.438 0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.506 -2.507 0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.930 -2.976 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.268 -3.206 1.300 1.00 0.00 H new ATOM 1304 N TRP A 82 -8.910 -8.048 3.047 1.00 0.00 N ATOM 1305 CA TRP A 82 -8.810 -9.015 4.095 1.00 0.00 C ATOM 1306 C TRP A 82 -7.446 -8.901 4.772 1.00 0.00 C ATOM 1307 O TRP A 82 -7.360 -8.870 5.990 1.00 0.00 O ATOM 1308 CB TRP A 82 -9.046 -10.425 3.542 1.00 0.00 C ATOM 1309 CG TRP A 82 -8.869 -11.495 4.561 1.00 0.00 C ATOM 1310 CD1 TRP A 82 -9.781 -11.910 5.463 1.00 0.00 C ATOM 1311 CD2 TRP A 82 -7.700 -12.278 4.776 1.00 0.00 C ATOM 1312 NE1 TRP A 82 -9.251 -12.906 6.248 1.00 0.00 N ATOM 1313 CE2 TRP A 82 -7.970 -13.150 5.839 1.00 0.00 C ATOM 1314 CE3 TRP A 82 -6.454 -12.313 4.166 1.00 0.00 C ATOM 1315 CZ2 TRP A 82 -7.029 -14.056 6.312 1.00 0.00 C ATOM 1316 CZ3 TRP A 82 -5.514 -13.211 4.629 1.00 0.00 C ATOM 1317 CH2 TRP A 82 -5.807 -14.074 5.695 1.00 0.00 C ATOM 0 H TRP A 82 -8.958 -8.442 2.107 1.00 0.00 H new ATOM 0 HA TRP A 82 -9.579 -8.821 4.843 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -10.056 -10.484 3.135 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -8.358 -10.603 2.715 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -10.783 -11.517 5.555 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -9.734 -13.384 7.009 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -6.224 -11.650 3.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -7.253 -14.720 7.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -4.540 -13.250 4.164 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -5.053 -14.767 6.036 1.00 0.00 H new ATOM 1328 N GLU A 83 -6.399 -8.810 3.980 1.00 0.00 N ATOM 1329 CA GLU A 83 -5.057 -8.688 4.522 1.00 0.00 C ATOM 1330 C GLU A 83 -4.865 -7.438 5.357 1.00 0.00 C ATOM 1331 O GLU A 83 -4.330 -7.520 6.432 1.00 0.00 O ATOM 1332 CB GLU A 83 -3.952 -8.796 3.468 1.00 0.00 C ATOM 1333 CG GLU A 83 -3.719 -10.196 2.941 1.00 0.00 C ATOM 1334 CD GLU A 83 -2.400 -10.323 2.201 1.00 0.00 C ATOM 1335 OE1 GLU A 83 -2.253 -9.755 1.110 1.00 0.00 O ATOM 1336 OE2 GLU A 83 -1.486 -11.015 2.694 1.00 0.00 O ATOM 0 H GLU A 83 -6.448 -8.818 2.961 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.960 -9.552 5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.201 -8.144 2.631 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.022 -8.424 3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.736 -10.902 3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.535 -10.470 2.273 1.00 0.00 H new ATOM 1343 N ILE A 84 -5.358 -6.310 4.905 1.00 0.00 N ATOM 1344 CA ILE A 84 -5.119 -5.063 5.619 1.00 0.00 C ATOM 1345 C ILE A 84 -5.894 -5.000 6.948 1.00 0.00 C ATOM 1346 O ILE A 84 -5.394 -4.481 7.944 1.00 0.00 O ATOM 1347 CB ILE A 84 -5.385 -3.805 4.723 1.00 0.00 C ATOM 1348 CG1 ILE A 84 -4.943 -2.520 5.435 1.00 0.00 C ATOM 1349 CG2 ILE A 84 -6.848 -3.711 4.306 1.00 0.00 C ATOM 1350 CD1 ILE A 84 -4.983 -1.282 4.566 1.00 0.00 C ATOM 0 H ILE A 84 -5.920 -6.221 4.059 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.059 -5.047 5.871 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.789 -3.920 3.818 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.583 -2.361 6.303 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.928 -2.656 5.808 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.994 -2.826 3.686 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.123 -4.601 3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.476 -3.639 5.194 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.656 -0.419 5.146 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.321 -1.416 3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.001 -1.117 4.214 1.00 0.00 H new ATOM 1362 N ASP A 85 -7.063 -5.595 6.967 1.00 0.00 N ATOM 1363 CA ASP A 85 -7.912 -5.587 8.152 1.00 0.00 C ATOM 1364 C ASP A 85 -7.626 -6.763 9.095 1.00 0.00 C ATOM 1365 O ASP A 85 -8.174 -6.839 10.190 1.00 0.00 O ATOM 1366 CB ASP A 85 -9.395 -5.550 7.746 1.00 0.00 C ATOM 1367 CG ASP A 85 -9.857 -4.169 7.277 1.00 0.00 C ATOM 1368 OD1 ASP A 85 -9.710 -3.853 6.081 1.00 0.00 O ATOM 1369 OD2 ASP A 85 -10.372 -3.391 8.111 1.00 0.00 O ATOM 0 H ASP A 85 -7.457 -6.097 6.172 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.675 -4.682 8.711 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.565 -6.273 6.948 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.005 -5.862 8.594 1.00 0.00 H new ATOM 1374 N ASN A 86 -6.760 -7.682 8.679 1.00 0.00 N ATOM 1375 CA ASN A 86 -6.436 -8.862 9.513 1.00 0.00 C ATOM 1376 C ASN A 86 -4.954 -8.974 9.788 1.00 0.00 C ATOM 1377 O ASN A 86 -4.522 -9.106 10.935 1.00 0.00 O ATOM 1378 CB ASN A 86 -6.940 -10.160 8.870 1.00 0.00 C ATOM 1379 CG ASN A 86 -8.446 -10.283 8.893 1.00 0.00 C ATOM 1380 OD1 ASN A 86 -9.027 -10.866 9.799 1.00 0.00 O ATOM 1381 ND2 ASN A 86 -9.081 -9.729 7.908 1.00 0.00 N ATOM 0 H ASN A 86 -6.270 -7.645 7.785 1.00 0.00 H new ATOM 0 HA ASN A 86 -6.950 -8.715 10.463 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -6.593 -10.207 7.838 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -6.503 -11.011 9.392 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.099 -9.770 7.870 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -8.562 -9.252 7.171 1.00 0.00 H new ATOM 1388 N ASN A 87 -4.160 -8.912 8.754 1.00 0.00 N ATOM 1389 CA ASN A 87 -2.706 -9.023 8.911 1.00 0.00 C ATOM 1390 C ASN A 87 -2.007 -7.824 8.246 1.00 0.00 C ATOM 1391 O ASN A 87 -1.304 -7.983 7.262 1.00 0.00 O ATOM 1392 CB ASN A 87 -2.188 -10.328 8.280 1.00 0.00 C ATOM 1393 CG ASN A 87 -0.737 -10.659 8.641 1.00 0.00 C ATOM 1394 OD1 ASN A 87 -0.251 -10.343 9.742 1.00 0.00 O ATOM 1395 ND2 ASN A 87 -0.040 -11.298 7.734 1.00 0.00 N ATOM 0 H ASN A 87 -4.477 -8.786 7.793 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.481 -9.031 9.977 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.828 -11.152 8.596 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.275 -10.255 7.196 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.930 -11.551 7.921 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -0.468 -11.543 6.841 1.00 0.00 H new ATOM 1402 N PRO A 88 -2.174 -6.600 8.783 1.00 0.00 N ATOM 1403 CA PRO A 88 -1.613 -5.380 8.161 1.00 0.00 C ATOM 1404 C PRO A 88 -0.108 -5.268 8.364 1.00 0.00 C ATOM 1405 O PRO A 88 0.553 -4.387 7.823 1.00 0.00 O ATOM 1406 CB PRO A 88 -2.333 -4.256 8.887 1.00 0.00 C ATOM 1407 CG PRO A 88 -2.678 -4.812 10.223 1.00 0.00 C ATOM 1408 CD PRO A 88 -2.931 -6.276 10.019 1.00 0.00 C ATOM 0 HA PRO A 88 -1.755 -5.368 7.080 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -1.697 -3.376 8.979 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.228 -3.947 8.346 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.865 -4.653 10.932 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.559 -4.319 10.633 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.581 -6.864 10.868 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.994 -6.485 9.903 1.00 0.00 H new ATOM 1416 N LYS A 89 0.406 -6.177 9.138 1.00 0.00 N ATOM 1417 CA LYS A 89 1.794 -6.224 9.479 1.00 0.00 C ATOM 1418 C LYS A 89 2.536 -7.144 8.522 1.00 0.00 C ATOM 1419 O LYS A 89 3.652 -7.570 8.797 1.00 0.00 O ATOM 1420 CB LYS A 89 1.957 -6.682 10.941 1.00 0.00 C ATOM 1421 CG LYS A 89 1.187 -7.952 11.286 1.00 0.00 C ATOM 1422 CD LYS A 89 1.417 -8.383 12.726 1.00 0.00 C ATOM 1423 CE LYS A 89 0.552 -9.586 13.096 1.00 0.00 C ATOM 1424 NZ LYS A 89 0.790 -10.751 12.203 1.00 0.00 N ATOM 0 H LYS A 89 -0.144 -6.925 9.560 1.00 0.00 H new ATOM 0 HA LYS A 89 2.226 -5.228 9.386 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.016 -6.846 11.143 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.627 -5.879 11.601 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.122 -7.786 11.123 1.00 0.00 H new ATOM 0 HG3 LYS A 89 1.491 -8.755 10.614 1.00 0.00 H new ATOM 0 HD2 LYS A 89 2.469 -8.632 12.869 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.193 -7.553 13.396 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.757 -9.874 14.127 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.499 -9.303 13.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.556 -11.629 12.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.191 -10.668 11.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.790 -10.772 11.918 1.00 0.00 H new