USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 528 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 24 TYR OH : rot -94:sc= 0.349 USER MOD Set 1.2: A 51 SER OG : rot 180:sc= 0.00336 USER MOD Single : A 12 THR OG1 : rot 63:sc= 0.871 USER MOD Single : A 26 GLN : amide:sc= -2.83! K(o=-2.8!,f=-0.36) USER MOD Single : A 27 LYS NZ :NH3+ 157:sc= -0.177 (180deg=-0.798) USER MOD Single : A 29 TYR OH : rot -146:sc= 0.806 USER MOD Single : A 31 SER OG : rot -142:sc= 0.00479 USER MOD Single : A 35 LYS NZ :NH3+ 173:sc= 0.467 (180deg=0.447) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -161:sc= -0.0208 (180deg=-0.484) USER MOD Single : A 46 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.2!) USER MOD Single : A 52 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.22) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -92:sc= -0.0136 USER MOD Single : A 63 ASN : amide:sc= -1.13 K(o=-1.1,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 39 N PRO A 9 -1.910 -1.235 -10.407 1.00 0.00 N ATOM 40 CA PRO A 9 -2.065 -0.107 -9.505 1.00 0.00 C ATOM 41 C PRO A 9 -2.365 -0.548 -8.077 1.00 0.00 C ATOM 42 O PRO A 9 -1.731 -0.081 -7.141 1.00 0.00 O ATOM 43 CB PRO A 9 -3.261 0.677 -10.090 1.00 0.00 C ATOM 44 CG PRO A 9 -3.654 -0.042 -11.346 1.00 0.00 C ATOM 45 CD PRO A 9 -3.115 -1.435 -11.223 1.00 0.00 C ATOM 0 HA PRO A 9 -1.151 0.483 -9.439 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.090 0.708 -9.383 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.984 1.710 -10.302 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.738 -0.054 -11.464 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.243 0.457 -12.224 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.826 -2.105 -10.740 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.880 -1.867 -12.196 1.00 0.00 H new ATOM 53 N GLY A 10 -3.328 -1.447 -7.932 1.00 0.00 N ATOM 54 CA GLY A 10 -3.736 -1.916 -6.630 1.00 0.00 C ATOM 55 C GLY A 10 -2.960 -3.131 -6.193 1.00 0.00 C ATOM 56 O GLY A 10 -2.283 -3.759 -7.023 1.00 0.00 O ATOM 0 H GLY A 10 -3.840 -1.864 -8.710 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.600 -1.118 -5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.800 -2.154 -6.648 1.00 0.00 H new ATOM 60 N ILE A 11 -3.112 -3.486 -4.895 1.00 0.00 N ATOM 61 CA ILE A 11 -2.368 -4.585 -4.224 1.00 0.00 C ATOM 62 C ILE A 11 -2.224 -5.819 -5.110 1.00 0.00 C ATOM 63 O ILE A 11 -3.207 -6.470 -5.462 1.00 0.00 O ATOM 64 CB ILE A 11 -3.049 -5.035 -2.884 1.00 0.00 C ATOM 65 CG1 ILE A 11 -3.273 -3.837 -1.950 1.00 0.00 C ATOM 66 CG2 ILE A 11 -2.201 -6.105 -2.181 1.00 0.00 C ATOM 67 CD1 ILE A 11 -3.967 -4.178 -0.639 1.00 0.00 C ATOM 0 H ILE A 11 -3.765 -3.011 -4.272 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.383 -4.167 -4.016 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.021 -5.463 -3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.308 -3.381 -1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.866 -3.089 -2.476 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.689 -6.405 -1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.096 -6.972 -2.833 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.215 -5.698 -1.957 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.084 -3.273 -0.043 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.948 -4.604 -0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.367 -4.901 -0.087 1.00 0.00 H new ATOM 79 N THR A 12 -1.010 -6.093 -5.482 1.00 0.00 N ATOM 80 CA THR A 12 -0.659 -7.250 -6.246 1.00 0.00 C ATOM 81 C THR A 12 0.468 -7.955 -5.493 1.00 0.00 C ATOM 82 O THR A 12 1.321 -7.286 -4.908 1.00 0.00 O ATOM 83 CB THR A 12 -0.192 -6.821 -7.656 1.00 0.00 C ATOM 84 OG1 THR A 12 -1.242 -6.059 -8.291 1.00 0.00 O ATOM 85 CG2 THR A 12 0.144 -8.029 -8.523 1.00 0.00 C ATOM 0 H THR A 12 -0.213 -5.499 -5.255 1.00 0.00 H new ATOM 0 HA THR A 12 -1.510 -7.920 -6.369 1.00 0.00 H new ATOM 0 HB THR A 12 0.709 -6.217 -7.549 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.409 -5.241 -7.778 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.469 -7.691 -9.507 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.944 -8.602 -8.054 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.740 -8.658 -8.629 1.00 0.00 H new ATOM 93 N PHE A 13 0.466 -9.273 -5.476 1.00 0.00 N ATOM 94 CA PHE A 13 1.450 -10.015 -4.708 1.00 0.00 C ATOM 95 C PHE A 13 2.830 -10.049 -5.393 1.00 0.00 C ATOM 96 O PHE A 13 3.177 -11.009 -6.075 1.00 0.00 O ATOM 97 CB PHE A 13 0.932 -11.431 -4.363 1.00 0.00 C ATOM 98 CG PHE A 13 1.857 -12.250 -3.507 1.00 0.00 C ATOM 99 CD1 PHE A 13 2.093 -11.900 -2.195 1.00 0.00 C ATOM 100 CD2 PHE A 13 2.485 -13.372 -4.017 1.00 0.00 C ATOM 101 CE1 PHE A 13 2.936 -12.648 -1.407 1.00 0.00 C ATOM 102 CE2 PHE A 13 3.329 -14.123 -3.232 1.00 0.00 C ATOM 103 CZ PHE A 13 3.558 -13.760 -1.927 1.00 0.00 C ATOM 0 H PHE A 13 -0.203 -9.852 -5.983 1.00 0.00 H new ATOM 0 HA PHE A 13 1.596 -9.481 -3.769 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.026 -11.337 -3.851 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.746 -11.971 -5.292 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.610 -11.027 -1.781 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.311 -13.662 -5.043 1.00 0.00 H new ATOM 0 HE1 PHE A 13 3.110 -12.363 -0.380 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.812 -14.998 -3.642 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.224 -14.346 -1.311 1.00 0.00 H new ATOM 113 N GLU A 14 3.547 -8.941 -5.266 1.00 0.00 N ATOM 114 CA GLU A 14 4.918 -8.766 -5.742 1.00 0.00 C ATOM 115 C GLU A 14 5.592 -7.641 -4.974 1.00 0.00 C ATOM 116 O GLU A 14 5.045 -6.535 -4.847 1.00 0.00 O ATOM 117 CB GLU A 14 4.993 -8.445 -7.252 1.00 0.00 C ATOM 118 CG GLU A 14 4.874 -9.636 -8.196 1.00 0.00 C ATOM 119 CD GLU A 14 6.099 -10.533 -8.167 1.00 0.00 C ATOM 120 OE1 GLU A 14 6.176 -11.466 -7.327 1.00 0.00 O ATOM 121 OE2 GLU A 14 7.021 -10.316 -8.988 1.00 0.00 O ATOM 0 H GLU A 14 3.178 -8.106 -4.812 1.00 0.00 H new ATOM 0 HA GLU A 14 5.429 -9.714 -5.575 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.201 -7.736 -7.492 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.940 -7.943 -7.450 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.994 -10.221 -7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.718 -9.274 -9.212 1.00 0.00 H new ATOM 128 N ILE A 15 6.755 -7.914 -4.457 1.00 0.00 N ATOM 129 CA ILE A 15 7.548 -6.908 -3.786 1.00 0.00 C ATOM 130 C ILE A 15 8.118 -6.008 -4.869 1.00 0.00 C ATOM 131 O ILE A 15 8.922 -6.448 -5.711 1.00 0.00 O ATOM 132 CB ILE A 15 8.724 -7.526 -2.939 1.00 0.00 C ATOM 133 CG1 ILE A 15 8.230 -8.299 -1.690 1.00 0.00 C ATOM 134 CG2 ILE A 15 9.742 -6.469 -2.534 1.00 0.00 C ATOM 135 CD1 ILE A 15 7.562 -9.629 -1.962 1.00 0.00 C ATOM 0 H ILE A 15 7.186 -8.838 -4.485 1.00 0.00 H new ATOM 0 HA ILE A 15 6.918 -6.363 -3.083 1.00 0.00 H new ATOM 0 HB ILE A 15 9.211 -8.248 -3.595 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.081 -8.469 -1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.528 -7.665 -1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.537 -6.934 -1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.167 -6.012 -3.428 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.252 -5.703 -1.933 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.257 -10.082 -1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.685 -9.474 -2.591 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.262 -10.290 -2.472 1.00 0.00 H new ATOM 147 N GLY A 16 7.689 -4.791 -4.875 1.00 0.00 N ATOM 148 CA GLY A 16 8.072 -3.879 -5.903 1.00 0.00 C ATOM 149 C GLY A 16 6.887 -3.523 -6.761 1.00 0.00 C ATOM 150 O GLY A 16 6.987 -2.694 -7.663 1.00 0.00 O ATOM 0 H GLY A 16 7.064 -4.400 -4.170 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.491 -2.976 -5.459 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.854 -4.324 -6.519 1.00 0.00 H new ATOM 154 N ALA A 17 5.766 -4.189 -6.513 1.00 0.00 N ATOM 155 CA ALA A 17 4.537 -3.865 -7.198 1.00 0.00 C ATOM 156 C ALA A 17 3.877 -2.741 -6.454 1.00 0.00 C ATOM 157 O ALA A 17 4.397 -2.288 -5.420 1.00 0.00 O ATOM 158 CB ALA A 17 3.610 -5.071 -7.286 1.00 0.00 C ATOM 0 H ALA A 17 5.690 -4.954 -5.843 1.00 0.00 H new ATOM 0 HA ALA A 17 4.758 -3.565 -8.222 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.695 -4.790 -7.808 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.107 -5.873 -7.832 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.364 -5.415 -6.281 1.00 0.00 H new ATOM 164 N ARG A 18 2.770 -2.277 -6.931 1.00 0.00 N ATOM 165 CA ARG A 18 2.132 -1.196 -6.277 1.00 0.00 C ATOM 166 C ARG A 18 0.782 -1.589 -5.727 1.00 0.00 C ATOM 167 O ARG A 18 0.192 -2.573 -6.157 1.00 0.00 O ATOM 168 CB ARG A 18 2.080 0.080 -7.153 1.00 0.00 C ATOM 169 CG ARG A 18 3.475 0.597 -7.510 1.00 0.00 C ATOM 170 CD ARG A 18 3.491 2.060 -7.939 1.00 0.00 C ATOM 171 NE ARG A 18 2.712 2.325 -9.140 1.00 0.00 N ATOM 172 CZ ARG A 18 2.424 3.541 -9.612 1.00 0.00 C ATOM 173 NH1 ARG A 18 2.896 4.636 -9.010 1.00 0.00 N ATOM 174 NH2 ARG A 18 1.659 3.647 -10.685 1.00 0.00 N ATOM 0 H ARG A 18 2.296 -2.628 -7.763 1.00 0.00 H new ATOM 0 HA ARG A 18 2.750 -0.937 -5.417 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.529 -0.133 -8.069 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.531 0.859 -6.624 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.131 0.472 -6.649 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.885 -0.014 -8.314 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.106 2.673 -7.124 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.522 2.368 -8.110 1.00 0.00 H new ATOM 0 HE ARG A 18 2.360 1.522 -9.660 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.483 4.549 -8.181 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.669 5.559 -9.380 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.298 2.808 -11.139 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.429 4.568 -11.059 1.00 0.00 H new ATOM 188 N LEU A 19 0.381 -0.882 -4.707 1.00 0.00 N ATOM 189 CA LEU A 19 -0.931 -1.029 -4.081 1.00 0.00 C ATOM 190 C LEU A 19 -1.635 0.317 -4.090 1.00 0.00 C ATOM 191 O LEU A 19 -0.968 1.333 -4.225 1.00 0.00 O ATOM 192 CB LEU A 19 -0.847 -1.612 -2.616 1.00 0.00 C ATOM 193 CG LEU A 19 -0.047 -0.874 -1.471 1.00 0.00 C ATOM 194 CD1 LEU A 19 1.422 -0.829 -1.716 1.00 0.00 C ATOM 195 CD2 LEU A 19 -0.561 0.522 -1.179 1.00 0.00 C ATOM 0 H LEU A 19 0.961 -0.167 -4.268 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.503 -1.754 -4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.872 -1.725 -2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.426 -2.614 -2.699 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.225 -1.487 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.912 -0.309 -0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.810 -1.845 -1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.619 -0.300 -2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.034 0.970 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.483 1.134 -2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.604 0.468 -0.866 1.00 0.00 H new ATOM 207 N GLU A 20 -2.940 0.370 -3.916 1.00 0.00 N ATOM 208 CA GLU A 20 -3.571 1.676 -3.883 1.00 0.00 C ATOM 209 C GLU A 20 -3.942 2.053 -2.472 1.00 0.00 C ATOM 210 O GLU A 20 -4.801 1.446 -1.871 1.00 0.00 O ATOM 211 CB GLU A 20 -4.763 1.754 -4.824 1.00 0.00 C ATOM 212 CG GLU A 20 -4.368 1.683 -6.284 1.00 0.00 C ATOM 213 CD GLU A 20 -5.541 1.643 -7.212 1.00 0.00 C ATOM 214 OE1 GLU A 20 -6.088 0.556 -7.438 1.00 0.00 O ATOM 215 OE2 GLU A 20 -5.936 2.698 -7.751 1.00 0.00 O ATOM 0 H GLU A 20 -3.560 -0.432 -3.800 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.846 2.406 -4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.451 0.939 -4.599 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.301 2.684 -4.644 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.749 2.546 -6.528 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.755 0.796 -6.445 1.00 0.00 H new ATOM 222 N ALA A 21 -3.260 3.010 -1.926 1.00 0.00 N ATOM 223 CA ALA A 21 -3.550 3.448 -0.589 1.00 0.00 C ATOM 224 C ALA A 21 -4.221 4.794 -0.632 1.00 0.00 C ATOM 225 O ALA A 21 -3.818 5.641 -1.398 1.00 0.00 O ATOM 226 CB ALA A 21 -2.281 3.514 0.237 1.00 0.00 C ATOM 0 H ALA A 21 -2.496 3.507 -2.383 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.222 2.730 -0.119 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.521 3.848 1.247 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.823 2.526 0.281 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.585 4.216 -0.221 1.00 0.00 H new ATOM 232 N LEU A 22 -5.262 4.955 0.156 1.00 0.00 N ATOM 233 CA LEU A 22 -5.994 6.216 0.278 1.00 0.00 C ATOM 234 C LEU A 22 -5.348 7.017 1.339 1.00 0.00 C ATOM 235 O LEU A 22 -5.628 6.860 2.528 1.00 0.00 O ATOM 236 CB LEU A 22 -7.492 5.939 0.588 1.00 0.00 C ATOM 237 CG LEU A 22 -8.525 7.107 0.660 1.00 0.00 C ATOM 238 CD1 LEU A 22 -8.490 7.869 1.971 1.00 0.00 C ATOM 239 CD2 LEU A 22 -8.365 8.066 -0.489 1.00 0.00 C ATOM 0 H LEU A 22 -5.636 4.209 0.742 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.965 6.775 -0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.851 5.241 -0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.530 5.419 1.545 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.500 6.625 0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.234 8.665 1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.711 7.189 2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.500 8.302 2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.102 8.864 -0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.363 8.494 -0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.514 7.535 -1.429 1.00 0.00 H new ATOM 251 N ASP A 23 -4.447 7.835 0.955 1.00 0.00 N ATOM 252 CA ASP A 23 -3.811 8.614 1.932 1.00 0.00 C ATOM 253 C ASP A 23 -4.703 9.722 2.291 1.00 0.00 C ATOM 254 O ASP A 23 -5.622 10.080 1.480 1.00 0.00 O ATOM 255 CB ASP A 23 -2.429 9.089 1.540 1.00 0.00 C ATOM 256 CG ASP A 23 -2.325 10.362 0.696 1.00 0.00 C ATOM 257 OD1 ASP A 23 -3.246 10.722 -0.056 1.00 0.00 O ATOM 258 OD2 ASP A 23 -1.259 11.010 0.769 1.00 0.00 O ATOM 0 H ASP A 23 -4.140 7.979 -0.007 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.629 7.985 2.803 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.857 9.246 2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.941 8.283 0.992 1.00 0.00 H new ATOM 263 N TYR A 24 -4.472 10.241 3.488 1.00 0.00 N ATOM 264 CA TYR A 24 -5.251 11.284 4.121 1.00 0.00 C ATOM 265 C TYR A 24 -5.257 12.633 3.398 1.00 0.00 C ATOM 266 O TYR A 24 -5.820 13.602 3.889 1.00 0.00 O ATOM 267 CB TYR A 24 -4.916 11.406 5.615 1.00 0.00 C ATOM 268 CG TYR A 24 -3.445 11.330 5.971 1.00 0.00 C ATOM 269 CD1 TYR A 24 -2.552 12.314 5.592 1.00 0.00 C ATOM 270 CD2 TYR A 24 -2.963 10.268 6.722 1.00 0.00 C ATOM 271 CE1 TYR A 24 -1.223 12.242 5.950 1.00 0.00 C ATOM 272 CE2 TYR A 24 -1.636 10.186 7.079 1.00 0.00 C ATOM 273 CZ TYR A 24 -0.771 11.176 6.691 1.00 0.00 C ATOM 274 OH TYR A 24 0.551 11.121 7.070 1.00 0.00 O ATOM 0 H TYR A 24 -3.695 9.927 4.070 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.286 10.953 4.034 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.310 12.355 5.980 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.441 10.616 6.151 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.901 13.152 5.007 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.643 9.489 7.033 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -0.538 13.021 5.649 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.279 9.348 7.660 1.00 0.00 H new ATOM 0 HH TYR A 24 1.057 10.594 6.417 1.00 0.00 H new ATOM 284 N LEU A 25 -4.656 12.678 2.241 1.00 0.00 N ATOM 285 CA LEU A 25 -4.768 13.818 1.362 1.00 0.00 C ATOM 286 C LEU A 25 -5.965 13.579 0.458 1.00 0.00 C ATOM 287 O LEU A 25 -6.422 14.467 -0.267 1.00 0.00 O ATOM 288 CB LEU A 25 -3.470 14.019 0.539 1.00 0.00 C ATOM 289 CG LEU A 25 -2.252 14.627 1.268 1.00 0.00 C ATOM 290 CD1 LEU A 25 -2.625 15.932 1.943 1.00 0.00 C ATOM 291 CD2 LEU A 25 -1.625 13.654 2.263 1.00 0.00 C ATOM 0 H LEU A 25 -4.072 11.925 1.877 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.910 14.731 1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.173 13.050 0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.706 14.658 -0.312 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.496 14.833 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.752 16.342 2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.976 16.642 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.416 15.752 2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.773 14.129 2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.363 13.377 3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.290 12.760 1.736 1.00 0.00 H new ATOM 303 N GLN A 26 -6.441 12.348 0.534 1.00 0.00 N ATOM 304 CA GLN A 26 -7.563 11.820 -0.148 1.00 0.00 C ATOM 305 C GLN A 26 -7.259 11.367 -1.496 1.00 0.00 C ATOM 306 O GLN A 26 -7.810 11.863 -2.495 1.00 0.00 O ATOM 307 CB GLN A 26 -8.877 12.571 -0.001 1.00 0.00 C ATOM 308 CG GLN A 26 -9.713 12.079 1.168 1.00 0.00 C ATOM 309 CD GLN A 26 -9.051 12.213 2.517 1.00 0.00 C ATOM 310 OE1 GLN A 26 -9.174 13.230 3.190 1.00 0.00 O ATOM 311 NE2 GLN A 26 -8.379 11.188 2.940 1.00 0.00 N ATOM 0 H GLN A 26 -5.999 11.649 1.131 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.787 10.916 0.419 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.670 13.633 0.129 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.453 12.469 -0.921 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.653 12.631 1.183 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.962 11.031 1.003 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.296 10.356 2.355 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.934 11.213 3.857 1.00 0.00 H new ATOM 320 N LYS A 27 -6.336 10.446 -1.554 1.00 0.00 N ATOM 321 CA LYS A 27 -6.012 9.840 -2.833 1.00 0.00 C ATOM 322 C LYS A 27 -5.816 8.393 -2.694 1.00 0.00 C ATOM 323 O LYS A 27 -5.033 7.974 -1.870 1.00 0.00 O ATOM 324 CB LYS A 27 -4.731 10.355 -3.460 1.00 0.00 C ATOM 325 CG LYS A 27 -4.667 11.813 -3.773 1.00 0.00 C ATOM 326 CD LYS A 27 -3.352 12.136 -4.443 1.00 0.00 C ATOM 327 CE LYS A 27 -3.159 13.621 -4.593 1.00 0.00 C ATOM 328 NZ LYS A 27 -3.235 14.298 -3.288 1.00 0.00 N ATOM 0 H LYS A 27 -5.802 10.100 -0.757 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.861 10.098 -3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.906 10.116 -2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.560 9.803 -4.384 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.495 12.091 -4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.772 12.396 -2.858 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.532 11.719 -3.858 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.316 11.663 -5.424 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.192 13.821 -5.054 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.920 14.025 -5.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.733 15.208 -3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.231 14.466 -3.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.794 13.700 -2.560 1.00 0.00 H new ATOM 342 N TRP A 28 -6.544 7.636 -3.468 1.00 0.00 N ATOM 343 CA TRP A 28 -6.262 6.244 -3.630 1.00 0.00 C ATOM 344 C TRP A 28 -5.146 6.167 -4.639 1.00 0.00 C ATOM 345 O TRP A 28 -5.390 6.124 -5.844 1.00 0.00 O ATOM 346 CB TRP A 28 -7.476 5.465 -4.144 1.00 0.00 C ATOM 347 CG TRP A 28 -8.587 5.300 -3.161 1.00 0.00 C ATOM 348 CD1 TRP A 28 -9.720 6.037 -3.054 1.00 0.00 C ATOM 349 CD2 TRP A 28 -8.649 4.313 -2.147 1.00 0.00 C ATOM 350 NE1 TRP A 28 -10.508 5.528 -2.033 1.00 0.00 N ATOM 351 CE2 TRP A 28 -9.850 4.467 -1.454 1.00 0.00 C ATOM 352 CE3 TRP A 28 -7.791 3.322 -1.773 1.00 0.00 C ATOM 353 CZ2 TRP A 28 -10.201 3.618 -0.380 1.00 0.00 C ATOM 354 CZ3 TRP A 28 -8.112 2.501 -0.737 1.00 0.00 C ATOM 355 CH2 TRP A 28 -9.291 2.630 -0.044 1.00 0.00 C ATOM 0 H TRP A 28 -7.347 7.970 -4.001 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.994 5.799 -2.672 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -7.866 5.972 -5.027 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -7.145 4.477 -4.464 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -9.970 6.889 -3.669 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -11.424 5.882 -1.757 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.857 3.189 -2.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -11.133 3.734 0.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -7.419 1.724 -0.451 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -9.510 1.955 0.770 1.00 0.00 H new ATOM 366 N TYR A 29 -3.943 6.248 -4.172 1.00 0.00 N ATOM 367 CA TYR A 29 -2.831 6.326 -5.058 1.00 0.00 C ATOM 368 C TYR A 29 -1.957 5.075 -5.025 1.00 0.00 C ATOM 369 O TYR A 29 -1.783 4.441 -3.964 1.00 0.00 O ATOM 370 CB TYR A 29 -2.028 7.652 -4.866 1.00 0.00 C ATOM 371 CG TYR A 29 -1.436 7.953 -3.476 1.00 0.00 C ATOM 372 CD1 TYR A 29 -1.237 6.969 -2.513 1.00 0.00 C ATOM 373 CD2 TYR A 29 -1.031 9.240 -3.161 1.00 0.00 C ATOM 374 CE1 TYR A 29 -0.667 7.250 -1.291 1.00 0.00 C ATOM 375 CE2 TYR A 29 -0.446 9.525 -1.959 1.00 0.00 C ATOM 376 CZ TYR A 29 -0.262 8.537 -1.025 1.00 0.00 C ATOM 377 OH TYR A 29 0.360 8.851 0.177 1.00 0.00 O ATOM 0 H TYR A 29 -3.706 6.262 -3.180 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.235 6.360 -6.070 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.207 7.651 -5.584 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.684 8.480 -5.134 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.538 5.955 -2.730 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.180 10.033 -3.879 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.540 6.472 -0.553 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.127 10.534 -1.743 1.00 0.00 H new ATOM 0 HH TYR A 29 0.106 9.757 0.450 1.00 0.00 H new ATOM 387 N PRO A 30 -1.428 4.671 -6.183 1.00 0.00 N ATOM 388 CA PRO A 30 -0.563 3.518 -6.286 1.00 0.00 C ATOM 389 C PRO A 30 0.790 3.766 -5.613 1.00 0.00 C ATOM 390 O PRO A 30 1.643 4.518 -6.104 1.00 0.00 O ATOM 391 CB PRO A 30 -0.410 3.282 -7.795 1.00 0.00 C ATOM 392 CG PRO A 30 -1.435 4.154 -8.433 1.00 0.00 C ATOM 393 CD PRO A 30 -1.643 5.296 -7.493 1.00 0.00 C ATOM 0 HA PRO A 30 -0.978 2.648 -5.776 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.593 3.541 -8.134 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.572 2.234 -8.048 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.096 4.507 -9.407 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.364 3.609 -8.597 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.938 6.107 -7.677 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.644 5.718 -7.582 1.00 0.00 H new ATOM 401 N SER A 31 0.931 3.174 -4.480 1.00 0.00 N ATOM 402 CA SER A 31 2.096 3.252 -3.653 1.00 0.00 C ATOM 403 C SER A 31 2.798 1.915 -3.782 1.00 0.00 C ATOM 404 O SER A 31 2.181 0.982 -4.202 1.00 0.00 O ATOM 405 CB SER A 31 1.613 3.490 -2.242 1.00 0.00 C ATOM 406 OG SER A 31 0.766 4.624 -2.220 1.00 0.00 O ATOM 0 H SER A 31 0.199 2.588 -4.078 1.00 0.00 H new ATOM 0 HA SER A 31 2.784 4.051 -3.931 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.076 2.614 -1.877 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.462 3.644 -1.576 1.00 0.00 H new ATOM 0 HG SER A 31 0.920 5.131 -1.396 1.00 0.00 H new ATOM 412 N ARG A 32 4.042 1.796 -3.438 1.00 0.00 N ATOM 413 CA ARG A 32 4.726 0.526 -3.693 1.00 0.00 C ATOM 414 C ARG A 32 4.740 -0.404 -2.497 1.00 0.00 C ATOM 415 O ARG A 32 4.623 0.024 -1.362 1.00 0.00 O ATOM 416 CB ARG A 32 6.149 0.733 -4.175 1.00 0.00 C ATOM 417 CG ARG A 32 6.283 1.283 -5.564 1.00 0.00 C ATOM 418 CD ARG A 32 7.737 1.478 -5.932 1.00 0.00 C ATOM 419 NE ARG A 32 8.539 0.251 -5.769 1.00 0.00 N ATOM 420 CZ ARG A 32 9.411 -0.220 -6.673 1.00 0.00 C ATOM 421 NH1 ARG A 32 9.477 0.320 -7.892 1.00 0.00 N ATOM 422 NH2 ARG A 32 10.207 -1.239 -6.362 1.00 0.00 N ATOM 0 H ARG A 32 4.605 2.522 -2.995 1.00 0.00 H new ATOM 0 HA ARG A 32 4.140 0.051 -4.480 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.654 1.408 -3.484 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.673 -0.221 -4.128 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.812 0.604 -6.275 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.756 2.234 -5.635 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.803 1.814 -6.967 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.161 2.268 -5.312 1.00 0.00 H new ATOM 0 HE ARG A 32 8.422 -0.279 -4.905 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.862 1.095 -8.140 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.142 -0.043 -8.575 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.155 -1.663 -5.436 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.870 -1.597 -7.050 1.00 0.00 H new ATOM 436 N ILE A 33 4.863 -1.680 -2.782 1.00 0.00 N ATOM 437 CA ILE A 33 4.995 -2.697 -1.771 1.00 0.00 C ATOM 438 C ILE A 33 6.462 -2.982 -1.588 1.00 0.00 C ATOM 439 O ILE A 33 7.107 -3.508 -2.489 1.00 0.00 O ATOM 440 CB ILE A 33 4.286 -4.005 -2.167 1.00 0.00 C ATOM 441 CG1 ILE A 33 2.846 -3.722 -2.600 1.00 0.00 C ATOM 442 CG2 ILE A 33 4.294 -4.932 -0.973 1.00 0.00 C ATOM 443 CD1 ILE A 33 2.065 -4.938 -3.025 1.00 0.00 C ATOM 0 H ILE A 33 4.874 -2.043 -3.735 1.00 0.00 H new ATOM 0 HA ILE A 33 4.533 -2.333 -0.854 1.00 0.00 H new ATOM 0 HB ILE A 33 4.807 -4.467 -3.005 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.321 -3.240 -1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.863 -3.011 -3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.795 -5.866 -1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.323 -5.140 -0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.769 -4.460 -0.142 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.057 -4.640 -3.314 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.561 -5.411 -3.873 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.011 -5.644 -2.196 1.00 0.00 H new ATOM 455 N GLU A 34 7.000 -2.604 -0.465 1.00 0.00 N ATOM 456 CA GLU A 34 8.418 -2.765 -0.226 1.00 0.00 C ATOM 457 C GLU A 34 8.720 -4.140 0.374 1.00 0.00 C ATOM 458 O GLU A 34 9.771 -4.706 0.141 1.00 0.00 O ATOM 459 CB GLU A 34 8.936 -1.648 0.685 1.00 0.00 C ATOM 460 CG GLU A 34 10.441 -1.524 0.700 1.00 0.00 C ATOM 461 CD GLU A 34 11.000 -1.334 -0.683 1.00 0.00 C ATOM 462 OE1 GLU A 34 10.781 -0.266 -1.270 1.00 0.00 O ATOM 463 OE2 GLU A 34 11.647 -2.276 -1.225 1.00 0.00 O ATOM 0 H GLU A 34 6.483 -2.180 0.306 1.00 0.00 H new ATOM 0 HA GLU A 34 8.936 -2.697 -1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.506 -0.700 0.363 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.585 -1.828 1.701 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.730 -0.681 1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.875 -2.418 1.148 1.00 0.00 H new ATOM 470 N LYS A 35 7.788 -4.668 1.128 1.00 0.00 N ATOM 471 CA LYS A 35 7.940 -5.967 1.764 1.00 0.00 C ATOM 472 C LYS A 35 6.545 -6.486 1.985 1.00 0.00 C ATOM 473 O LYS A 35 5.669 -5.721 2.378 1.00 0.00 O ATOM 474 CB LYS A 35 8.701 -5.803 3.123 1.00 0.00 C ATOM 475 CG LYS A 35 9.250 -7.090 3.805 1.00 0.00 C ATOM 476 CD LYS A 35 8.182 -7.984 4.456 1.00 0.00 C ATOM 477 CE LYS A 35 8.833 -9.182 5.164 1.00 0.00 C ATOM 478 NZ LYS A 35 7.853 -10.095 5.824 1.00 0.00 N ATOM 0 H LYS A 35 6.896 -4.212 1.323 1.00 0.00 H new ATOM 0 HA LYS A 35 8.518 -6.659 1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.540 -5.127 2.958 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.029 -5.311 3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.789 -7.676 3.061 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.973 -6.799 4.567 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.602 -7.403 5.173 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.486 -8.339 3.696 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.413 -9.751 4.437 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.534 -8.813 5.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.348 -10.938 6.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.399 -9.601 6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.128 -10.382 5.136 1.00 0.00 H new ATOM 492 N ILE A 36 6.305 -7.723 1.675 1.00 0.00 N ATOM 493 CA ILE A 36 4.993 -8.289 1.889 1.00 0.00 C ATOM 494 C ILE A 36 5.046 -9.180 3.097 1.00 0.00 C ATOM 495 O ILE A 36 5.954 -10.005 3.219 1.00 0.00 O ATOM 496 CB ILE A 36 4.479 -9.097 0.661 1.00 0.00 C ATOM 497 CG1 ILE A 36 4.453 -8.194 -0.568 1.00 0.00 C ATOM 498 CG2 ILE A 36 3.085 -9.652 0.936 1.00 0.00 C ATOM 499 CD1 ILE A 36 3.890 -8.821 -1.817 1.00 0.00 C ATOM 0 H ILE A 36 6.991 -8.363 1.275 1.00 0.00 H new ATOM 0 HA ILE A 36 4.293 -7.467 2.040 1.00 0.00 H new ATOM 0 HB ILE A 36 5.152 -9.934 0.478 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.868 -7.305 -0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.470 -7.861 -0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.740 -10.214 0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.120 -10.310 1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.398 -8.829 1.132 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.916 -8.097 -2.631 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.486 -9.693 -2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.860 -9.128 -1.637 1.00 0.00 H new ATOM 511 N ASP A 37 4.133 -8.996 4.003 1.00 0.00 N ATOM 512 CA ASP A 37 4.085 -9.821 5.170 1.00 0.00 C ATOM 513 C ASP A 37 2.715 -10.411 5.270 1.00 0.00 C ATOM 514 O ASP A 37 1.882 -9.895 5.945 1.00 0.00 O ATOM 515 CB ASP A 37 4.394 -9.036 6.442 1.00 0.00 C ATOM 516 CG ASP A 37 4.713 -9.942 7.600 1.00 0.00 C ATOM 517 OD1 ASP A 37 3.796 -10.558 8.187 1.00 0.00 O ATOM 518 OD2 ASP A 37 5.907 -10.046 7.941 1.00 0.00 O ATOM 0 H ASP A 37 3.409 -8.279 3.955 1.00 0.00 H new ATOM 0 HA ASP A 37 4.844 -10.598 5.076 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.237 -8.369 6.261 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.540 -8.408 6.697 1.00 0.00 H new ATOM 523 N TYR A 38 2.485 -11.465 4.559 1.00 0.00 N ATOM 524 CA TYR A 38 1.199 -12.130 4.511 1.00 0.00 C ATOM 525 C TYR A 38 1.037 -13.055 5.683 1.00 0.00 C ATOM 526 O TYR A 38 -0.031 -13.637 5.896 1.00 0.00 O ATOM 527 CB TYR A 38 0.996 -12.868 3.187 1.00 0.00 C ATOM 528 CG TYR A 38 2.160 -13.723 2.736 1.00 0.00 C ATOM 529 CD1 TYR A 38 3.199 -13.171 2.002 1.00 0.00 C ATOM 530 CD2 TYR A 38 2.213 -15.076 3.029 1.00 0.00 C ATOM 531 CE1 TYR A 38 4.260 -13.940 1.574 1.00 0.00 C ATOM 532 CE2 TYR A 38 3.272 -15.853 2.606 1.00 0.00 C ATOM 533 CZ TYR A 38 4.293 -15.280 1.878 1.00 0.00 C ATOM 534 OH TYR A 38 5.347 -16.060 1.440 1.00 0.00 O ATOM 0 H TYR A 38 3.195 -11.908 3.976 1.00 0.00 H new ATOM 0 HA TYR A 38 0.425 -11.365 4.573 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.114 -13.502 3.276 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.784 -12.134 2.410 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.177 -12.118 1.761 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.414 -15.529 3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 38 5.060 -13.492 1.003 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.301 -16.906 2.844 1.00 0.00 H new ATOM 0 HH TYR A 38 5.218 -16.984 1.741 1.00 0.00 H new ATOM 544 N GLU A 39 2.110 -13.195 6.417 1.00 0.00 N ATOM 545 CA GLU A 39 2.138 -13.920 7.647 1.00 0.00 C ATOM 546 C GLU A 39 1.208 -13.216 8.629 1.00 0.00 C ATOM 547 O GLU A 39 0.329 -13.836 9.244 1.00 0.00 O ATOM 548 CB GLU A 39 3.567 -13.924 8.144 1.00 0.00 C ATOM 549 CG GLU A 39 3.783 -14.547 9.497 1.00 0.00 C ATOM 550 CD GLU A 39 5.235 -14.589 9.866 1.00 0.00 C ATOM 551 OE1 GLU A 39 5.911 -15.572 9.520 1.00 0.00 O ATOM 552 OE2 GLU A 39 5.727 -13.639 10.519 1.00 0.00 O ATOM 0 H GLU A 39 3.012 -12.793 6.162 1.00 0.00 H new ATOM 0 HA GLU A 39 1.802 -14.950 7.528 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.184 -14.453 7.418 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.924 -12.895 8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.233 -13.981 10.249 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.378 -15.559 9.500 1.00 0.00 H new ATOM 559 N GLU A 40 1.395 -11.922 8.762 1.00 0.00 N ATOM 560 CA GLU A 40 0.495 -11.105 9.537 1.00 0.00 C ATOM 561 C GLU A 40 -0.647 -10.720 8.612 1.00 0.00 C ATOM 562 O GLU A 40 -1.817 -10.697 8.986 1.00 0.00 O ATOM 563 CB GLU A 40 1.211 -9.837 9.983 1.00 0.00 C ATOM 564 CG GLU A 40 0.442 -8.986 10.961 1.00 0.00 C ATOM 565 CD GLU A 40 0.265 -9.647 12.296 1.00 0.00 C ATOM 566 OE1 GLU A 40 1.208 -9.587 13.122 1.00 0.00 O ATOM 567 OE2 GLU A 40 -0.789 -10.247 12.546 1.00 0.00 O ATOM 0 H GLU A 40 2.170 -11.411 8.339 1.00 0.00 H new ATOM 0 HA GLU A 40 0.141 -11.641 10.418 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.163 -10.114 10.435 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.439 -9.237 9.102 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.962 -8.038 11.097 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.538 -8.756 10.542 1.00 0.00 H new ATOM 574 N GLY A 41 -0.274 -10.446 7.401 1.00 0.00 N ATOM 575 CA GLY A 41 -1.183 -10.033 6.388 1.00 0.00 C ATOM 576 C GLY A 41 -1.166 -8.541 6.256 1.00 0.00 C ATOM 577 O GLY A 41 -2.194 -7.878 6.356 1.00 0.00 O ATOM 0 H GLY A 41 0.694 -10.506 7.086 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.913 -10.493 5.437 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.190 -10.373 6.632 1.00 0.00 H new ATOM 581 N LYS A 42 0.023 -8.032 6.052 1.00 0.00 N ATOM 582 CA LYS A 42 0.303 -6.630 5.919 1.00 0.00 C ATOM 583 C LYS A 42 1.230 -6.466 4.742 1.00 0.00 C ATOM 584 O LYS A 42 1.800 -7.449 4.243 1.00 0.00 O ATOM 585 CB LYS A 42 1.106 -6.119 7.126 1.00 0.00 C ATOM 586 CG LYS A 42 0.587 -6.483 8.493 1.00 0.00 C ATOM 587 CD LYS A 42 1.513 -5.954 9.584 1.00 0.00 C ATOM 588 CE LYS A 42 2.928 -6.509 9.431 1.00 0.00 C ATOM 589 NZ LYS A 42 3.816 -6.112 10.538 1.00 0.00 N ATOM 0 H LYS A 42 0.858 -8.613 5.971 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.641 -6.094 5.822 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.125 -6.495 7.039 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.160 -5.032 7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.413 -6.072 8.628 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.500 -7.566 8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.541 -4.865 9.543 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.118 -6.226 10.563 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.884 -7.597 9.378 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.351 -6.161 8.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.763 -6.515 10.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.883 -5.075 10.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.430 -6.466 11.437 1.00 0.00 H new ATOM 603 N MET A 43 1.410 -5.271 4.319 1.00 0.00 N ATOM 604 CA MET A 43 2.412 -4.985 3.362 1.00 0.00 C ATOM 605 C MET A 43 3.105 -3.713 3.796 1.00 0.00 C ATOM 606 O MET A 43 2.500 -2.870 4.511 1.00 0.00 O ATOM 607 CB MET A 43 1.860 -4.885 1.906 1.00 0.00 C ATOM 608 CG MET A 43 1.323 -3.516 1.449 1.00 0.00 C ATOM 609 SD MET A 43 -0.053 -2.869 2.423 1.00 0.00 S ATOM 610 CE MET A 43 -1.301 -4.121 2.151 1.00 0.00 C ATOM 0 H MET A 43 0.868 -4.463 4.626 1.00 0.00 H new ATOM 0 HA MET A 43 3.122 -5.812 3.326 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.655 -5.181 1.222 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.058 -5.616 1.798 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.140 -2.795 1.478 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.006 -3.596 0.409 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.283 -3.714 2.393 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.284 -4.431 1.106 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.098 -4.982 2.788 1.00 0.00 H new ATOM 620 N LEU A 44 4.365 -3.610 3.477 1.00 0.00 N ATOM 621 CA LEU A 44 5.100 -2.414 3.733 1.00 0.00 C ATOM 622 C LEU A 44 4.775 -1.506 2.596 1.00 0.00 C ATOM 623 O LEU A 44 5.290 -1.679 1.480 1.00 0.00 O ATOM 624 CB LEU A 44 6.630 -2.698 3.798 1.00 0.00 C ATOM 625 CG LEU A 44 7.579 -1.589 4.362 1.00 0.00 C ATOM 626 CD1 LEU A 44 9.002 -2.099 4.443 1.00 0.00 C ATOM 627 CD2 LEU A 44 7.542 -0.292 3.557 1.00 0.00 C ATOM 0 H LEU A 44 4.905 -4.353 3.034 1.00 0.00 H new ATOM 0 HA LEU A 44 4.834 -1.975 4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.774 -3.594 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.965 -2.937 2.788 1.00 0.00 H new ATOM 0 HG LEU A 44 7.209 -1.354 5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.648 -1.314 4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.041 -2.966 5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.344 -2.384 3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.223 0.433 4.003 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.847 -0.492 2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.529 0.111 3.562 1.00 0.00 H new ATOM 639 N VAL A 45 3.884 -0.622 2.836 1.00 0.00 N ATOM 640 CA VAL A 45 3.493 0.310 1.865 1.00 0.00 C ATOM 641 C VAL A 45 4.462 1.470 1.848 1.00 0.00 C ATOM 642 O VAL A 45 4.683 2.168 2.856 1.00 0.00 O ATOM 643 CB VAL A 45 2.003 0.744 1.995 1.00 0.00 C ATOM 644 CG1 VAL A 45 1.651 1.115 3.416 1.00 0.00 C ATOM 645 CG2 VAL A 45 1.693 1.896 1.057 1.00 0.00 C ATOM 0 H VAL A 45 3.401 -0.528 3.729 1.00 0.00 H new ATOM 0 HA VAL A 45 3.540 -0.176 0.890 1.00 0.00 H new ATOM 0 HB VAL A 45 1.390 -0.112 1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.603 1.412 3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.816 0.257 4.068 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.279 1.944 3.742 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.647 2.182 1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.329 2.746 1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.880 1.588 0.028 1.00 0.00 H new ATOM 655 N HIS A 46 5.093 1.592 0.738 1.00 0.00 N ATOM 656 CA HIS A 46 6.067 2.582 0.484 1.00 0.00 C ATOM 657 C HIS A 46 5.379 3.695 -0.294 1.00 0.00 C ATOM 658 O HIS A 46 5.219 3.611 -1.526 1.00 0.00 O ATOM 659 CB HIS A 46 7.206 1.936 -0.336 1.00 0.00 C ATOM 660 CG HIS A 46 8.490 2.709 -0.446 1.00 0.00 C ATOM 661 ND1 HIS A 46 9.706 2.090 -0.611 1.00 0.00 N ATOM 662 CD2 HIS A 46 8.756 4.039 -0.426 1.00 0.00 C ATOM 663 CE1 HIS A 46 10.648 2.981 -0.675 1.00 0.00 C ATOM 664 NE2 HIS A 46 10.110 4.176 -0.570 1.00 0.00 N ATOM 0 H HIS A 46 4.934 0.972 -0.056 1.00 0.00 H new ATOM 0 HA HIS A 46 6.496 2.994 1.398 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.432 0.965 0.104 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.835 1.750 -1.344 1.00 0.00 H new ATOM 0 HD1 HIS A 46 9.847 1.082 -0.674 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.037 4.837 -0.317 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.701 2.774 -0.795 1.00 0.00 H new ATOM 673 N PHE A 47 4.913 4.680 0.431 1.00 0.00 N ATOM 674 CA PHE A 47 4.233 5.819 -0.150 1.00 0.00 C ATOM 675 C PHE A 47 5.285 6.715 -0.750 1.00 0.00 C ATOM 676 O PHE A 47 6.460 6.651 -0.352 1.00 0.00 O ATOM 677 CB PHE A 47 3.466 6.635 0.930 1.00 0.00 C ATOM 678 CG PHE A 47 2.453 5.876 1.728 1.00 0.00 C ATOM 679 CD1 PHE A 47 2.822 5.219 2.882 1.00 0.00 C ATOM 680 CD2 PHE A 47 1.128 5.838 1.336 1.00 0.00 C ATOM 681 CE1 PHE A 47 1.894 4.537 3.627 1.00 0.00 C ATOM 682 CE2 PHE A 47 0.197 5.155 2.074 1.00 0.00 C ATOM 683 CZ PHE A 47 0.578 4.501 3.220 1.00 0.00 C ATOM 0 H PHE A 47 4.993 4.718 1.447 1.00 0.00 H new ATOM 0 HA PHE A 47 3.516 5.465 -0.891 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.194 7.064 1.618 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.963 7.468 0.439 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.853 5.241 3.203 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.823 6.353 0.437 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.194 4.029 4.531 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.835 5.131 1.755 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.153 3.959 3.802 1.00 0.00 H new ATOM 693 N GLU A 48 4.905 7.563 -1.664 1.00 0.00 N ATOM 694 CA GLU A 48 5.845 8.517 -2.232 1.00 0.00 C ATOM 695 C GLU A 48 5.950 9.750 -1.311 1.00 0.00 C ATOM 696 O GLU A 48 5.885 10.906 -1.756 1.00 0.00 O ATOM 697 CB GLU A 48 5.456 8.886 -3.667 1.00 0.00 C ATOM 698 CG GLU A 48 5.293 7.666 -4.565 1.00 0.00 C ATOM 699 CD GLU A 48 5.080 7.996 -6.020 1.00 0.00 C ATOM 700 OE1 GLU A 48 4.003 8.531 -6.390 1.00 0.00 O ATOM 701 OE2 GLU A 48 5.972 7.703 -6.832 1.00 0.00 O ATOM 0 H GLU A 48 3.958 7.622 -2.037 1.00 0.00 H new ATOM 0 HA GLU A 48 6.833 8.061 -2.292 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.523 9.449 -3.653 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.217 9.543 -4.088 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.180 7.039 -4.472 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.447 7.077 -4.210 1.00 0.00 H new ATOM 708 N ARG A 49 6.160 9.444 -0.026 1.00 0.00 N ATOM 709 CA ARG A 49 6.321 10.375 1.091 1.00 0.00 C ATOM 710 C ARG A 49 5.031 11.056 1.518 1.00 0.00 C ATOM 711 O ARG A 49 4.437 11.834 0.767 1.00 0.00 O ATOM 712 CB ARG A 49 7.453 11.399 0.865 1.00 0.00 C ATOM 713 CG ARG A 49 8.821 10.769 0.667 1.00 0.00 C ATOM 714 CD ARG A 49 9.913 11.810 0.538 1.00 0.00 C ATOM 715 NE ARG A 49 11.215 11.197 0.233 1.00 0.00 N ATOM 716 CZ ARG A 49 12.387 11.520 0.816 1.00 0.00 C ATOM 717 NH1 ARG A 49 12.418 12.357 1.849 1.00 0.00 N ATOM 718 NH2 ARG A 49 13.513 10.979 0.378 1.00 0.00 N ATOM 0 H ARG A 49 6.226 8.473 0.279 1.00 0.00 H new ATOM 0 HA ARG A 49 6.620 9.743 1.927 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.213 12.005 -0.009 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.495 12.074 1.720 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.043 10.113 1.509 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.807 10.146 -0.227 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.650 12.517 -0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.986 12.378 1.466 1.00 0.00 H new ATOM 0 HE ARG A 49 11.233 10.467 -0.479 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.551 12.759 2.206 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.309 12.597 2.285 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.493 10.319 -0.399 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.401 11.222 0.818 1.00 0.00 H new ATOM 732 N TRP A 50 4.568 10.727 2.704 1.00 0.00 N ATOM 733 CA TRP A 50 3.484 11.450 3.293 1.00 0.00 C ATOM 734 C TRP A 50 4.022 12.205 4.498 1.00 0.00 C ATOM 735 O TRP A 50 5.254 12.333 4.605 1.00 0.00 O ATOM 736 CB TRP A 50 2.182 10.612 3.558 1.00 0.00 C ATOM 737 CG TRP A 50 2.157 9.457 4.569 1.00 0.00 C ATOM 738 CD1 TRP A 50 3.080 9.076 5.515 1.00 0.00 C ATOM 739 CD2 TRP A 50 1.056 8.566 4.735 1.00 0.00 C ATOM 740 NE1 TRP A 50 2.594 8.013 6.243 1.00 0.00 N ATOM 741 CE2 TRP A 50 1.362 7.684 5.780 1.00 0.00 C ATOM 742 CE3 TRP A 50 -0.163 8.437 4.087 1.00 0.00 C ATOM 743 CZ2 TRP A 50 0.486 6.686 6.193 1.00 0.00 C ATOM 744 CZ3 TRP A 50 -1.026 7.455 4.491 1.00 0.00 C ATOM 745 CH2 TRP A 50 -0.704 6.587 5.537 1.00 0.00 C ATOM 0 H TRP A 50 4.931 9.962 3.272 1.00 0.00 H new ATOM 0 HA TRP A 50 3.109 12.169 2.565 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.410 11.317 3.865 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.872 10.198 2.598 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.043 9.541 5.665 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.082 7.547 7.008 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.427 9.101 3.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.739 6.016 7.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -1.977 7.349 3.990 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.410 5.825 5.831 1.00 0.00 H new ATOM 756 N SER A 51 3.161 12.712 5.361 1.00 0.00 N ATOM 757 CA SER A 51 3.567 13.563 6.476 1.00 0.00 C ATOM 758 C SER A 51 4.690 12.945 7.350 1.00 0.00 C ATOM 759 O SER A 51 4.447 12.055 8.174 1.00 0.00 O ATOM 760 CB SER A 51 2.344 13.910 7.307 1.00 0.00 C ATOM 761 OG SER A 51 1.314 14.439 6.464 1.00 0.00 O ATOM 0 H SER A 51 2.156 12.547 5.312 1.00 0.00 H new ATOM 0 HA SER A 51 4.001 14.471 6.057 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.982 13.022 7.824 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.609 14.639 8.073 1.00 0.00 H new ATOM 0 HG SER A 51 0.528 14.659 7.006 1.00 0.00 H new ATOM 767 N HIS A 52 5.922 13.401 7.078 1.00 0.00 N ATOM 768 CA HIS A 52 7.162 13.034 7.785 1.00 0.00 C ATOM 769 C HIS A 52 7.536 11.519 7.671 1.00 0.00 C ATOM 770 O HIS A 52 8.511 11.072 8.270 1.00 0.00 O ATOM 771 CB HIS A 52 7.101 13.516 9.270 1.00 0.00 C ATOM 772 CG HIS A 52 8.402 13.407 10.023 1.00 0.00 C ATOM 773 ND1 HIS A 52 8.535 12.743 11.215 1.00 0.00 N ATOM 774 CD2 HIS A 52 9.627 13.885 9.730 1.00 0.00 C ATOM 775 CE1 HIS A 52 9.780 12.810 11.621 1.00 0.00 C ATOM 776 NE2 HIS A 52 10.472 13.497 10.735 1.00 0.00 N ATOM 0 H HIS A 52 6.091 14.067 6.324 1.00 0.00 H new ATOM 0 HA HIS A 52 7.976 13.555 7.280 1.00 0.00 H new ATOM 0 HB2 HIS A 52 6.773 14.555 9.287 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.343 12.935 9.795 1.00 0.00 H new ATOM 0 HD2 HIS A 52 9.894 14.468 8.861 1.00 0.00 H new ATOM 0 HE1 HIS A 52 10.172 12.375 12.529 1.00 0.00 H new ATOM 0 HE2 HIS A 52 11.469 13.705 10.789 1.00 0.00 H new ATOM 785 N ARG A 53 6.828 10.762 6.867 1.00 0.00 N ATOM 786 CA ARG A 53 7.076 9.326 6.786 1.00 0.00 C ATOM 787 C ARG A 53 6.722 8.830 5.393 1.00 0.00 C ATOM 788 O ARG A 53 5.913 9.440 4.714 1.00 0.00 O ATOM 789 CB ARG A 53 6.225 8.619 7.864 1.00 0.00 C ATOM 790 CG ARG A 53 6.477 7.129 8.049 1.00 0.00 C ATOM 791 CD ARG A 53 5.693 6.598 9.242 1.00 0.00 C ATOM 792 NE ARG A 53 5.894 5.159 9.466 1.00 0.00 N ATOM 793 CZ ARG A 53 5.622 4.507 10.611 1.00 0.00 C ATOM 794 NH1 ARG A 53 5.172 5.169 11.675 1.00 0.00 N ATOM 795 NH2 ARG A 53 5.819 3.198 10.693 1.00 0.00 N ATOM 0 H ARG A 53 6.081 11.103 6.262 1.00 0.00 H new ATOM 0 HA ARG A 53 8.128 9.105 6.966 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.398 9.117 8.818 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.173 8.760 7.617 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.186 6.591 7.147 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.542 6.950 8.198 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.990 7.145 10.137 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.631 6.791 9.088 1.00 0.00 H new ATOM 0 HE ARG A 53 6.270 4.611 8.692 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.031 6.178 11.626 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.968 4.667 12.539 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.177 2.685 9.888 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.613 2.705 11.562 1.00 0.00 H new ATOM 809 N TYR A 54 7.357 7.783 4.940 1.00 0.00 N ATOM 810 CA TYR A 54 7.036 7.231 3.640 1.00 0.00 C ATOM 811 C TYR A 54 6.940 5.715 3.650 1.00 0.00 C ATOM 812 O TYR A 54 6.503 5.113 2.679 1.00 0.00 O ATOM 813 CB TYR A 54 7.976 7.755 2.540 1.00 0.00 C ATOM 814 CG TYR A 54 9.450 7.609 2.813 1.00 0.00 C ATOM 815 CD1 TYR A 54 10.141 8.571 3.544 1.00 0.00 C ATOM 816 CD2 TYR A 54 10.154 6.526 2.332 1.00 0.00 C ATOM 817 CE1 TYR A 54 11.488 8.448 3.784 1.00 0.00 C ATOM 818 CE2 TYR A 54 11.497 6.400 2.568 1.00 0.00 C ATOM 819 CZ TYR A 54 12.162 7.360 3.293 1.00 0.00 C ATOM 820 OH TYR A 54 13.517 7.223 3.531 1.00 0.00 O ATOM 0 H TYR A 54 8.096 7.293 5.444 1.00 0.00 H new ATOM 0 HA TYR A 54 6.037 7.590 3.394 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.744 7.233 1.611 1.00 0.00 H new ATOM 0 HB3 TYR A 54 7.759 8.810 2.375 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.609 9.429 3.929 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.640 5.767 1.761 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.011 9.201 4.354 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.034 5.545 2.184 1.00 0.00 H new ATOM 0 HH TYR A 54 13.840 6.397 3.115 1.00 0.00 H new ATOM 830 N ASP A 55 7.345 5.103 4.729 1.00 0.00 N ATOM 831 CA ASP A 55 7.194 3.665 4.872 1.00 0.00 C ATOM 832 C ASP A 55 6.262 3.387 6.016 1.00 0.00 C ATOM 833 O ASP A 55 6.431 3.926 7.108 1.00 0.00 O ATOM 834 CB ASP A 55 8.545 2.916 5.054 1.00 0.00 C ATOM 835 CG ASP A 55 9.325 3.280 6.307 1.00 0.00 C ATOM 836 OD1 ASP A 55 9.053 2.724 7.393 1.00 0.00 O ATOM 837 OD2 ASP A 55 10.259 4.105 6.216 1.00 0.00 O ATOM 0 H ASP A 55 7.782 5.568 5.525 1.00 0.00 H new ATOM 0 HA ASP A 55 6.775 3.280 3.942 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.349 1.844 5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.172 3.115 4.185 1.00 0.00 H new ATOM 842 N GLU A 56 5.250 2.617 5.757 1.00 0.00 N ATOM 843 CA GLU A 56 4.263 2.278 6.751 1.00 0.00 C ATOM 844 C GLU A 56 3.803 0.829 6.515 1.00 0.00 C ATOM 845 O GLU A 56 3.939 0.317 5.414 1.00 0.00 O ATOM 846 CB GLU A 56 3.096 3.314 6.668 1.00 0.00 C ATOM 847 CG GLU A 56 1.854 3.004 7.491 1.00 0.00 C ATOM 848 CD GLU A 56 2.087 3.068 8.975 1.00 0.00 C ATOM 849 OE1 GLU A 56 2.703 2.143 9.537 1.00 0.00 O ATOM 850 OE2 GLU A 56 1.646 4.053 9.607 1.00 0.00 O ATOM 0 H GLU A 56 5.079 2.199 4.842 1.00 0.00 H new ATOM 0 HA GLU A 56 4.670 2.327 7.761 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.479 4.285 6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.798 3.410 5.624 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.066 3.708 7.224 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.494 2.009 7.230 1.00 0.00 H new ATOM 857 N TRP A 57 3.336 0.163 7.541 1.00 0.00 N ATOM 858 CA TRP A 57 2.862 -1.206 7.413 1.00 0.00 C ATOM 859 C TRP A 57 1.375 -1.233 7.579 1.00 0.00 C ATOM 860 O TRP A 57 0.862 -0.879 8.646 1.00 0.00 O ATOM 861 CB TRP A 57 3.476 -2.124 8.460 1.00 0.00 C ATOM 862 CG TRP A 57 4.938 -2.385 8.311 1.00 0.00 C ATOM 863 CD1 TRP A 57 5.963 -1.617 8.776 1.00 0.00 C ATOM 864 CD2 TRP A 57 5.540 -3.514 7.678 1.00 0.00 C ATOM 865 NE1 TRP A 57 7.163 -2.194 8.463 1.00 0.00 N ATOM 866 CE2 TRP A 57 6.933 -3.361 7.789 1.00 0.00 C ATOM 867 CE3 TRP A 57 5.036 -4.641 7.021 1.00 0.00 C ATOM 868 CZ2 TRP A 57 7.828 -4.293 7.274 1.00 0.00 C ATOM 869 CZ3 TRP A 57 5.924 -5.562 6.512 1.00 0.00 C ATOM 870 CH2 TRP A 57 7.304 -5.382 6.641 1.00 0.00 C ATOM 0 H TRP A 57 3.271 0.544 8.485 1.00 0.00 H new ATOM 0 HA TRP A 57 3.156 -1.562 6.426 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.301 -1.691 9.445 1.00 0.00 H new ATOM 0 HB3 TRP A 57 2.950 -3.078 8.434 1.00 0.00 H new ATOM 0 HD1 TRP A 57 5.845 -0.688 9.314 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.081 -1.815 8.695 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.971 -4.786 6.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 8.895 -4.160 7.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.548 -6.438 6.005 1.00 0.00 H new ATOM 0 HH2 TRP A 57 7.972 -6.124 6.229 1.00 0.00 H new ATOM 881 N ILE A 58 0.671 -1.646 6.569 1.00 0.00 N ATOM 882 CA ILE A 58 -0.777 -1.680 6.650 1.00 0.00 C ATOM 883 C ILE A 58 -1.260 -3.066 6.224 1.00 0.00 C ATOM 884 O ILE A 58 -0.549 -3.769 5.524 1.00 0.00 O ATOM 885 CB ILE A 58 -1.429 -0.542 5.780 1.00 0.00 C ATOM 886 CG1 ILE A 58 -0.813 0.822 6.146 1.00 0.00 C ATOM 887 CG2 ILE A 58 -2.931 -0.489 6.008 1.00 0.00 C ATOM 888 CD1 ILE A 58 -1.329 1.996 5.339 1.00 0.00 C ATOM 0 H ILE A 58 1.061 -1.964 5.682 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.087 -1.494 7.678 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.235 -0.762 4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.000 1.016 7.202 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.268 0.761 6.020 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.364 0.304 5.398 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.375 -1.445 5.730 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.132 -0.288 7.060 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.836 2.910 5.670 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.118 1.832 4.282 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.405 2.092 5.483 1.00 0.00 H new ATOM 900 N TYR A 59 -2.428 -3.456 6.682 1.00 0.00 N ATOM 901 CA TYR A 59 -3.001 -4.761 6.395 1.00 0.00 C ATOM 902 C TYR A 59 -3.764 -4.729 5.065 1.00 0.00 C ATOM 903 O TYR A 59 -3.864 -3.672 4.424 1.00 0.00 O ATOM 904 CB TYR A 59 -3.952 -5.175 7.523 1.00 0.00 C ATOM 905 CG TYR A 59 -3.321 -5.479 8.867 1.00 0.00 C ATOM 906 CD1 TYR A 59 -3.033 -4.469 9.768 1.00 0.00 C ATOM 907 CD2 TYR A 59 -3.048 -6.784 9.243 1.00 0.00 C ATOM 908 CE1 TYR A 59 -2.485 -4.746 11.002 1.00 0.00 C ATOM 909 CE2 TYR A 59 -2.507 -7.071 10.478 1.00 0.00 C ATOM 910 CZ TYR A 59 -2.226 -6.047 11.352 1.00 0.00 C ATOM 911 OH TYR A 59 -1.697 -6.331 12.594 1.00 0.00 O ATOM 0 H TYR A 59 -3.019 -2.871 7.273 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.191 -5.486 6.321 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.682 -4.378 7.662 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.502 -6.058 7.198 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.242 -3.444 9.499 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.263 -7.590 8.557 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.261 -3.944 11.689 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.305 -8.094 10.758 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.575 -7.299 12.684 1.00 0.00 H new ATOM 921 N TRP A 60 -4.316 -5.867 4.659 1.00 0.00 N ATOM 922 CA TRP A 60 -5.063 -5.935 3.413 1.00 0.00 C ATOM 923 C TRP A 60 -6.408 -5.256 3.645 1.00 0.00 C ATOM 924 O TRP A 60 -7.229 -5.782 4.411 1.00 0.00 O ATOM 925 CB TRP A 60 -5.354 -7.390 2.981 1.00 0.00 C ATOM 926 CG TRP A 60 -4.237 -8.394 3.134 1.00 0.00 C ATOM 927 CD1 TRP A 60 -4.286 -9.516 3.903 1.00 0.00 C ATOM 928 CD2 TRP A 60 -2.932 -8.393 2.522 1.00 0.00 C ATOM 929 NE1 TRP A 60 -3.120 -10.211 3.811 1.00 0.00 N ATOM 930 CE2 TRP A 60 -2.268 -9.549 2.980 1.00 0.00 C ATOM 931 CE3 TRP A 60 -2.258 -7.544 1.641 1.00 0.00 C ATOM 932 CZ2 TRP A 60 -0.979 -9.874 2.598 1.00 0.00 C ATOM 933 CZ3 TRP A 60 -0.966 -7.879 1.262 1.00 0.00 C ATOM 934 CH2 TRP A 60 -0.348 -9.032 1.743 1.00 0.00 C ATOM 0 H TRP A 60 -4.260 -6.747 5.171 1.00 0.00 H new ATOM 0 HA TRP A 60 -4.469 -5.456 2.635 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -6.210 -7.747 3.554 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -5.655 -7.377 1.933 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -5.133 -9.813 4.503 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -2.916 -11.089 4.289 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -2.731 -6.649 1.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -0.493 -10.765 2.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -0.429 -7.234 0.582 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.659 -9.260 1.427 1.00 0.00 H new ATOM 945 N ASP A 61 -6.601 -4.071 3.036 1.00 0.00 N ATOM 946 CA ASP A 61 -7.857 -3.267 3.151 1.00 0.00 C ATOM 947 C ASP A 61 -8.388 -3.160 4.567 1.00 0.00 C ATOM 948 O ASP A 61 -9.571 -3.366 4.829 1.00 0.00 O ATOM 949 CB ASP A 61 -8.984 -3.639 2.131 1.00 0.00 C ATOM 950 CG ASP A 61 -9.272 -5.128 1.974 1.00 0.00 C ATOM 951 OD1 ASP A 61 -9.965 -5.724 2.827 1.00 0.00 O ATOM 952 OD2 ASP A 61 -8.806 -5.742 0.987 1.00 0.00 O ATOM 0 H ASP A 61 -5.894 -3.633 2.445 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.530 -2.269 2.860 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.904 -3.141 2.437 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.712 -3.236 1.155 1.00 0.00 H new ATOM 957 N SER A 62 -7.515 -2.810 5.465 1.00 0.00 N ATOM 958 CA SER A 62 -7.852 -2.680 6.849 1.00 0.00 C ATOM 959 C SER A 62 -8.484 -1.333 7.156 1.00 0.00 C ATOM 960 O SER A 62 -9.294 -1.204 8.080 1.00 0.00 O ATOM 961 CB SER A 62 -6.580 -2.867 7.641 1.00 0.00 C ATOM 962 OG SER A 62 -5.518 -2.121 7.060 1.00 0.00 O ATOM 0 H SER A 62 -6.539 -2.605 5.253 1.00 0.00 H new ATOM 0 HA SER A 62 -8.593 -3.432 7.119 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.736 -2.547 8.671 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.316 -3.924 7.672 1.00 0.00 H new ATOM 0 HG SER A 62 -5.031 -2.686 6.424 1.00 0.00 H new ATOM 968 N ASN A 63 -8.141 -0.348 6.365 1.00 0.00 N ATOM 969 CA ASN A 63 -8.557 1.009 6.617 1.00 0.00 C ATOM 970 C ASN A 63 -8.584 1.868 5.352 1.00 0.00 C ATOM 971 O ASN A 63 -9.600 2.490 5.058 1.00 0.00 O ATOM 972 CB ASN A 63 -7.710 1.653 7.755 1.00 0.00 C ATOM 973 CG ASN A 63 -6.201 1.415 7.626 1.00 0.00 C ATOM 974 OD1 ASN A 63 -5.663 1.268 6.530 1.00 0.00 O ATOM 975 ND2 ASN A 63 -5.520 1.343 8.740 1.00 0.00 N ATOM 0 H ASN A 63 -7.567 -0.463 5.530 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.590 0.966 6.961 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.897 2.727 7.769 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.048 1.258 8.713 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.517 1.161 8.714 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.992 1.469 9.635 1.00 0.00 H new ATOM 982 N ARG A 64 -7.494 1.901 4.596 1.00 0.00 N ATOM 983 CA ARG A 64 -7.470 2.705 3.358 1.00 0.00 C ATOM 984 C ARG A 64 -6.681 1.981 2.249 1.00 0.00 C ATOM 985 O ARG A 64 -6.037 2.603 1.402 1.00 0.00 O ATOM 986 CB ARG A 64 -6.862 4.127 3.607 1.00 0.00 C ATOM 987 CG ARG A 64 -5.333 4.226 3.655 1.00 0.00 C ATOM 988 CD ARG A 64 -4.711 3.614 4.870 1.00 0.00 C ATOM 989 NE ARG A 64 -5.123 4.293 6.103 1.00 0.00 N ATOM 990 CZ ARG A 64 -4.312 4.611 7.111 1.00 0.00 C ATOM 991 NH1 ARG A 64 -3.002 4.418 7.011 1.00 0.00 N ATOM 992 NH2 ARG A 64 -4.822 5.139 8.204 1.00 0.00 N ATOM 0 H ARG A 64 -6.631 1.398 4.801 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.503 2.829 3.033 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.221 4.792 2.822 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.257 4.505 4.550 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.922 3.742 2.769 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.048 5.277 3.606 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.987 2.561 4.927 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.625 3.654 4.780 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.108 4.541 6.196 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.608 4.023 6.157 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.389 4.665 7.788 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.827 5.300 8.272 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.212 5.387 8.983 1.00 0.00 H new ATOM 1006 N LEU A 65 -6.789 0.695 2.197 1.00 0.00 N ATOM 1007 CA LEU A 65 -5.984 -0.069 1.261 1.00 0.00 C ATOM 1008 C LEU A 65 -6.813 -0.714 0.165 1.00 0.00 C ATOM 1009 O LEU A 65 -7.724 -1.466 0.433 1.00 0.00 O ATOM 1010 CB LEU A 65 -5.093 -1.076 2.019 1.00 0.00 C ATOM 1011 CG LEU A 65 -3.629 -0.662 2.187 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -2.961 -0.594 0.845 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.519 0.687 2.858 1.00 0.00 C ATOM 0 H LEU A 65 -7.417 0.141 2.780 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.325 0.625 0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.522 -1.242 3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.125 -2.030 1.494 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.139 -1.408 2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.919 -0.299 0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.005 -1.572 0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.472 0.139 0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.468 0.956 2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.026 1.437 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.984 0.642 3.843 1.00 0.00 H new ATOM 1025 N ARG A 66 -6.516 -0.368 -1.070 1.00 0.00 N ATOM 1026 CA ARG A 66 -7.210 -0.914 -2.208 1.00 0.00 C ATOM 1027 C ARG A 66 -6.348 -1.944 -2.901 1.00 0.00 C ATOM 1028 O ARG A 66 -5.187 -1.636 -3.363 1.00 0.00 O ATOM 1029 CB ARG A 66 -7.611 0.167 -3.228 1.00 0.00 C ATOM 1030 CG ARG A 66 -8.514 -0.357 -4.345 1.00 0.00 C ATOM 1031 CD ARG A 66 -8.789 0.689 -5.414 1.00 0.00 C ATOM 1032 NE ARG A 66 -9.821 0.234 -6.374 1.00 0.00 N ATOM 1033 CZ ARG A 66 -9.698 0.206 -7.718 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -8.533 0.434 -8.295 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -10.744 -0.107 -8.467 1.00 0.00 N ATOM 0 H ARG A 66 -5.784 0.301 -1.309 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.122 -1.374 -1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.123 0.976 -2.707 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.709 0.592 -3.669 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.048 -1.228 -4.806 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.459 -0.691 -3.917 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.115 1.615 -4.941 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.867 0.912 -5.950 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.707 -0.088 -5.983 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.712 0.634 -7.724 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.454 0.410 -9.312 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.638 -0.326 -8.028 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.655 -0.129 -9.483 1.00 0.00 H new ATOM 1049 N PRO A 67 -6.858 -3.189 -2.948 1.00 0.00 N ATOM 1050 CA PRO A 67 -6.255 -4.274 -3.694 1.00 0.00 C ATOM 1051 C PRO A 67 -6.458 -4.059 -5.187 1.00 0.00 C ATOM 1052 O PRO A 67 -7.038 -3.036 -5.606 1.00 0.00 O ATOM 1053 CB PRO A 67 -7.021 -5.522 -3.213 1.00 0.00 C ATOM 1054 CG PRO A 67 -7.769 -5.077 -2.011 1.00 0.00 C ATOM 1055 CD PRO A 67 -8.064 -3.639 -2.240 1.00 0.00 C ATOM 0 HA PRO A 67 -5.180 -4.357 -3.536 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.697 -5.891 -3.984 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.337 -6.336 -2.973 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.687 -5.651 -1.885 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.178 -5.218 -1.106 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.965 -3.497 -2.837 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.214 -3.099 -1.305 1.00 0.00 H new ATOM 1063 N LEU A 68 -6.024 -5.001 -5.983 1.00 0.00 N ATOM 1064 CA LEU A 68 -6.106 -4.860 -7.408 1.00 0.00 C ATOM 1065 C LEU A 68 -7.551 -4.855 -7.842 1.00 0.00 C ATOM 1066 O LEU A 68 -8.422 -5.476 -7.209 1.00 0.00 O ATOM 1067 CB LEU A 68 -5.338 -5.979 -8.126 1.00 0.00 C ATOM 1068 CG LEU A 68 -5.241 -5.879 -9.652 1.00 0.00 C ATOM 1069 CD1 LEU A 68 -4.477 -4.631 -10.064 1.00 0.00 C ATOM 1070 CD2 LEU A 68 -4.580 -7.113 -10.216 1.00 0.00 C ATOM 0 H LEU A 68 -5.609 -5.877 -5.664 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.645 -3.911 -7.682 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.326 -6.010 -7.722 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.810 -6.929 -7.877 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.251 -5.808 -10.056 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.421 -4.581 -11.151 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.992 -3.748 -9.686 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.469 -4.668 -9.650 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.518 -7.029 -11.301 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.577 -7.210 -9.801 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.168 -7.993 -9.954 1.00 0.00 H new ATOM 1082 N GLU A 69 -7.805 -4.121 -8.882 1.00 0.00 N ATOM 1083 CA GLU A 69 -9.105 -4.029 -9.504 1.00 0.00 C ATOM 1084 C GLU A 69 -9.568 -5.391 -10.054 1.00 0.00 C ATOM 1085 O GLU A 69 -10.751 -5.583 -10.319 1.00 0.00 O ATOM 1086 CB GLU A 69 -9.021 -3.021 -10.632 1.00 0.00 C ATOM 1087 CG GLU A 69 -7.967 -3.371 -11.674 1.00 0.00 C ATOM 1088 CD GLU A 69 -7.870 -2.345 -12.763 1.00 0.00 C ATOM 1089 OE1 GLU A 69 -8.742 -2.306 -13.661 1.00 0.00 O ATOM 1090 OE2 GLU A 69 -6.930 -1.541 -12.743 1.00 0.00 O ATOM 0 H GLU A 69 -7.096 -3.549 -9.341 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.834 -3.714 -8.757 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.994 -2.949 -11.119 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.799 -2.038 -10.216 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.998 -3.470 -11.186 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.203 -4.340 -12.113 1.00 0.00 H new ATOM 1097 N ARG A 70 -8.605 -6.316 -10.204 1.00 0.00 N ATOM 1098 CA ARG A 70 -8.807 -7.659 -10.754 1.00 0.00 C ATOM 1099 C ARG A 70 -9.177 -7.551 -12.231 1.00 0.00 C ATOM 1100 O ARG A 70 -10.323 -7.263 -12.567 1.00 0.00 O ATOM 1101 CB ARG A 70 -9.857 -8.461 -9.960 1.00 0.00 C ATOM 1102 CG ARG A 70 -9.462 -8.695 -8.516 1.00 0.00 C ATOM 1103 CD ARG A 70 -10.568 -9.360 -7.726 1.00 0.00 C ATOM 1104 NE ARG A 70 -10.163 -9.584 -6.337 1.00 0.00 N ATOM 1105 CZ ARG A 70 -10.891 -9.288 -5.259 1.00 0.00 C ATOM 1106 NH1 ARG A 70 -12.059 -8.674 -5.383 1.00 0.00 N ATOM 1107 NH2 ARG A 70 -10.427 -9.599 -4.052 1.00 0.00 N ATOM 0 H ARG A 70 -7.637 -6.140 -9.936 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.873 -8.214 -10.662 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.808 -7.930 -9.988 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.015 -9.423 -10.447 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.567 -9.317 -8.481 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.207 -7.743 -8.051 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.462 -8.737 -7.751 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.829 -10.311 -8.190 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.246 -10.002 -6.180 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.408 -8.424 -6.308 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.609 -8.452 -4.553 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.522 -10.060 -3.957 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.976 -9.377 -3.222 1.00 0.00 H new