USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 250 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 SER OG : rot -160:sc= 0 USER MOD Set 1.2: A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -159:sc= -0.258 (180deg=-0.786) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -2.02! C(o=-2!,f=-2.5!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.027 K(o=-0.027,f=-1) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -115:sc= 0.0533 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= -0.025 (180deg=-0.273) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.600 1.376 -1.256 1.00 22.31 N ATOM 2 CA GLY A 1 1.966 0.072 -1.319 1.00 21.24 C ATOM 3 C GLY A 1 2.973 -1.061 -1.364 1.00 55.32 C ATOM 4 O GLY A 1 3.142 -1.789 -0.387 1.00 20.11 O ATOM 0 H1 GLY A 1 1.870 2.116 -1.227 1.00 22.31 H new ATOM 0 H2 GLY A 1 3.187 1.435 -0.400 1.00 22.31 H new ATOM 0 H3 GLY A 1 3.198 1.512 -2.096 1.00 22.31 H new ATOM 0 HA2 GLY A 1 1.318 -0.056 -0.452 1.00 21.24 H new ATOM 0 HA3 GLY A 1 1.329 0.023 -2.202 1.00 21.24 H new ATOM 8 N ALA A 2 3.641 -1.211 -2.503 1.00 40.30 N ATOM 9 CA ALA A 2 4.636 -2.262 -2.672 1.00 71.50 C ATOM 10 C ALA A 2 5.732 -1.831 -3.640 1.00 40.23 C ATOM 11 O ALA A 2 5.509 -1.744 -4.848 1.00 53.41 O ATOM 12 CB ALA A 2 3.973 -3.543 -3.159 1.00 1.43 C ATOM 0 H ALA A 2 3.511 -0.618 -3.322 1.00 40.30 H new ATOM 0 HA ALA A 2 5.098 -2.450 -1.703 1.00 71.50 H new ATOM 0 HB1 ALA A 2 4.728 -4.320 -3.281 1.00 1.43 H new ATOM 0 HB2 ALA A 2 3.232 -3.869 -2.430 1.00 1.43 H new ATOM 0 HB3 ALA A 2 3.484 -3.359 -4.116 1.00 1.43 H new ATOM 18 N CYS A 3 6.917 -1.561 -3.103 1.00 0.10 N ATOM 19 CA CYS A 3 8.048 -1.137 -3.919 1.00 4.12 C ATOM 20 C CYS A 3 9.368 -1.570 -3.286 1.00 52.01 C ATOM 21 O CYS A 3 9.383 -2.261 -2.266 1.00 40.43 O ATOM 22 CB CYS A 3 8.032 0.382 -4.101 1.00 11.11 C ATOM 23 SG CYS A 3 7.889 1.316 -2.544 1.00 11.25 S ATOM 0 H CYS A 3 7.119 -1.628 -2.105 1.00 0.10 H new ATOM 0 HA CYS A 3 7.959 -1.614 -4.895 1.00 4.12 H new ATOM 0 HB2 CYS A 3 8.946 0.686 -4.612 1.00 11.11 H new ATOM 0 HB3 CYS A 3 7.199 0.651 -4.751 1.00 11.11 H new ATOM 28 N LEU A 4 10.473 -1.160 -3.898 1.00 4.43 N ATOM 29 CA LEU A 4 11.799 -1.504 -3.395 1.00 33.22 C ATOM 30 C LEU A 4 12.507 -0.273 -2.838 1.00 70.31 C ATOM 31 O LEU A 4 12.805 0.669 -3.571 1.00 71.32 O ATOM 32 CB LEU A 4 12.641 -2.132 -4.507 1.00 54.53 C ATOM 33 CG LEU A 4 12.069 -3.396 -5.150 1.00 52.42 C ATOM 34 CD1 LEU A 4 12.863 -3.769 -6.393 1.00 14.44 C ATOM 35 CD2 LEU A 4 12.063 -4.545 -4.153 1.00 63.34 C ATOM 0 H LEU A 4 10.478 -0.589 -4.743 1.00 4.43 H new ATOM 0 HA LEU A 4 11.678 -2.226 -2.588 1.00 33.22 H new ATOM 0 HB2 LEU A 4 12.789 -1.386 -5.288 1.00 54.53 H new ATOM 0 HB3 LEU A 4 13.625 -2.368 -4.101 1.00 54.53 H new ATOM 0 HG LEU A 4 11.040 -3.195 -5.449 1.00 52.42 H new ATOM 0 HD11 LEU A 4 12.441 -4.671 -6.837 1.00 14.44 H new ATOM 0 HD12 LEU A 4 12.815 -2.953 -7.114 1.00 14.44 H new ATOM 0 HD13 LEU A 4 13.902 -3.951 -6.120 1.00 14.44 H new ATOM 0 HD21 LEU A 4 11.653 -5.436 -4.628 1.00 63.34 H new ATOM 0 HD22 LEU A 4 13.082 -4.746 -3.823 1.00 63.34 H new ATOM 0 HD23 LEU A 4 11.450 -4.277 -3.293 1.00 63.34 H new ATOM 47 N GLY A 5 12.776 -0.290 -1.536 1.00 13.30 N ATOM 48 CA GLY A 5 13.449 0.830 -0.903 1.00 71.44 C ATOM 49 C GLY A 5 14.892 0.964 -1.346 1.00 63.55 C ATOM 50 O GLY A 5 15.368 0.192 -2.180 1.00 33.12 O ATOM 0 H GLY A 5 12.540 -1.059 -0.908 1.00 13.30 H new ATOM 0 HA2 GLY A 5 12.914 1.750 -1.136 1.00 71.44 H new ATOM 0 HA3 GLY A 5 13.414 0.706 0.179 1.00 71.44 H new ATOM 54 N PHE A 6 15.592 1.947 -0.790 1.00 33.34 N ATOM 55 CA PHE A 6 16.989 2.181 -1.134 1.00 42.23 C ATOM 56 C PHE A 6 17.867 1.026 -0.662 1.00 1.24 C ATOM 57 O PHE A 6 17.746 0.564 0.472 1.00 62.30 O ATOM 58 CB PHE A 6 17.476 3.493 -0.515 1.00 50.14 C ATOM 59 CG PHE A 6 18.901 3.823 -0.855 1.00 4.44 C ATOM 60 CD1 PHE A 6 19.219 4.423 -2.063 1.00 30.42 C ATOM 61 CD2 PHE A 6 19.924 3.534 0.035 1.00 71.04 C ATOM 62 CE1 PHE A 6 20.530 4.728 -2.378 1.00 14.21 C ATOM 63 CE2 PHE A 6 21.236 3.838 -0.275 1.00 22.42 C ATOM 64 CZ PHE A 6 21.540 4.434 -1.483 1.00 54.20 C ATOM 0 H PHE A 6 15.214 2.595 -0.099 1.00 33.34 H new ATOM 0 HA PHE A 6 17.063 2.250 -2.219 1.00 42.23 H new ATOM 0 HB2 PHE A 6 16.833 4.306 -0.853 1.00 50.14 H new ATOM 0 HB3 PHE A 6 17.374 3.434 0.569 1.00 50.14 H new ATOM 0 HD1 PHE A 6 18.433 4.655 -2.767 1.00 30.42 H new ATOM 0 HD2 PHE A 6 19.693 3.066 0.981 1.00 71.04 H new ATOM 0 HE1 PHE A 6 20.764 5.196 -3.323 1.00 14.21 H new ATOM 0 HE2 PHE A 6 22.024 3.609 0.428 1.00 22.42 H new ATOM 0 HZ PHE A 6 22.565 4.670 -1.727 1.00 54.20 H new ATOM 74 N GLY A 7 18.752 0.564 -1.541 1.00 15.54 N ATOM 75 CA GLY A 7 19.637 -0.533 -1.196 1.00 14.20 C ATOM 76 C GLY A 7 19.024 -1.887 -1.494 1.00 64.02 C ATOM 77 O GLY A 7 19.484 -2.910 -0.987 1.00 64.32 O ATOM 0 H GLY A 7 18.871 0.930 -2.486 1.00 15.54 H new ATOM 0 HA2 GLY A 7 20.571 -0.430 -1.749 1.00 14.20 H new ATOM 0 HA3 GLY A 7 19.886 -0.475 -0.136 1.00 14.20 H new ATOM 81 N LYS A 8 17.982 -1.895 -2.318 1.00 43.24 N ATOM 82 CA LYS A 8 17.305 -3.133 -2.684 1.00 74.00 C ATOM 83 C LYS A 8 17.721 -3.590 -4.078 1.00 40.15 C ATOM 84 O LYS A 8 18.090 -2.775 -4.924 1.00 64.43 O ATOM 85 CB LYS A 8 15.787 -2.943 -2.630 1.00 60.10 C ATOM 86 CG LYS A 8 15.272 -2.546 -1.257 1.00 61.43 C ATOM 87 CD LYS A 8 15.453 -3.668 -0.248 1.00 74.24 C ATOM 88 CE LYS A 8 15.918 -3.137 1.099 1.00 45.25 C ATOM 89 NZ LYS A 8 17.254 -2.485 1.006 1.00 41.02 N ATOM 0 H LYS A 8 17.588 -1.057 -2.745 1.00 43.24 H new ATOM 0 HA LYS A 8 17.595 -3.902 -1.968 1.00 74.00 H new ATOM 0 HB2 LYS A 8 15.499 -2.179 -3.352 1.00 60.10 H new ATOM 0 HB3 LYS A 8 15.302 -3.870 -2.937 1.00 60.10 H new ATOM 0 HG2 LYS A 8 15.800 -1.657 -0.912 1.00 61.43 H new ATOM 0 HG3 LYS A 8 14.216 -2.283 -1.325 1.00 61.43 H new ATOM 0 HD2 LYS A 8 14.511 -4.203 -0.124 1.00 74.24 H new ATOM 0 HD3 LYS A 8 16.180 -4.386 -0.628 1.00 74.24 H new ATOM 0 HE2 LYS A 8 15.190 -2.420 1.478 1.00 45.25 H new ATOM 0 HE3 LYS A 8 15.963 -3.956 1.817 1.00 45.25 H new ATOM 0 HZ1 LYS A 8 17.693 -2.457 1.948 1.00 41.02 H new ATOM 0 HZ2 LYS A 8 17.860 -3.027 0.357 1.00 41.02 H new ATOM 0 HZ3 LYS A 8 17.143 -1.515 0.647 1.00 41.02 H new ATOM 103 N SER A 9 17.658 -4.897 -4.312 1.00 14.04 N ATOM 104 CA SER A 9 18.030 -5.462 -5.603 1.00 64.11 C ATOM 105 C SER A 9 16.870 -5.375 -6.590 1.00 10.43 C ATOM 106 O SER A 9 15.887 -6.107 -6.476 1.00 55.13 O ATOM 107 CB SER A 9 18.467 -6.919 -5.439 1.00 75.32 C ATOM 108 OG SER A 9 19.632 -7.016 -4.639 1.00 43.13 O ATOM 0 H SER A 9 17.352 -5.585 -3.623 1.00 14.04 H new ATOM 0 HA SER A 9 18.864 -4.882 -5.998 1.00 64.11 H new ATOM 0 HB2 SER A 9 17.661 -7.494 -4.984 1.00 75.32 H new ATOM 0 HB3 SER A 9 18.658 -7.357 -6.419 1.00 75.32 H new ATOM 0 HG SER A 9 19.889 -7.957 -4.548 1.00 43.13 H new ATOM 114 N CYS A 10 16.992 -4.473 -7.558 1.00 71.03 N ATOM 115 CA CYS A 10 15.955 -4.287 -8.566 1.00 33.32 C ATOM 116 C CYS A 10 16.474 -4.648 -9.954 1.00 65.14 C ATOM 117 O CYS A 10 17.648 -4.975 -10.123 1.00 43.03 O ATOM 118 CB CYS A 10 15.458 -2.840 -8.555 1.00 75.44 C ATOM 119 SG CYS A 10 16.778 -1.599 -8.738 1.00 62.15 S ATOM 0 H CYS A 10 17.799 -3.859 -7.666 1.00 71.03 H new ATOM 0 HA CYS A 10 15.125 -4.951 -8.324 1.00 33.32 H new ATOM 0 HB2 CYS A 10 14.736 -2.709 -9.361 1.00 75.44 H new ATOM 0 HB3 CYS A 10 14.928 -2.656 -7.620 1.00 75.44 H new ATOM 124 N ASN A 11 15.591 -4.586 -10.945 1.00 40.35 N ATOM 125 CA ASN A 11 15.960 -4.906 -12.320 1.00 20.04 C ATOM 126 C ASN A 11 16.019 -3.644 -13.175 1.00 74.33 C ATOM 127 O ASN A 11 15.163 -2.764 -13.086 1.00 52.43 O ATOM 128 CB ASN A 11 14.961 -5.897 -12.920 1.00 60.11 C ATOM 129 CG ASN A 11 15.572 -6.735 -14.026 1.00 62.43 C ATOM 130 OD1 ASN A 11 16.536 -7.468 -13.805 1.00 23.14 O ATOM 131 ND2 ASN A 11 15.012 -6.631 -15.226 1.00 3.41 N ATOM 0 H ASN A 11 14.615 -4.317 -10.822 1.00 40.35 H new ATOM 0 HA ASN A 11 16.950 -5.361 -12.308 1.00 20.04 H new ATOM 0 HB2 ASN A 11 14.588 -6.554 -12.134 1.00 60.11 H new ATOM 0 HB3 ASN A 11 14.103 -5.351 -13.313 1.00 60.11 H new ATOM 0 HD21 ASN A 11 15.380 -7.171 -16.009 1.00 3.41 H new ATOM 0 HD22 ASN A 11 14.214 -6.011 -15.364 1.00 3.41 H new ATOM 138 N PRO A 12 17.052 -3.553 -14.025 1.00 70.45 N ATOM 139 CA PRO A 12 17.247 -2.404 -14.915 1.00 33.42 C ATOM 140 C PRO A 12 16.202 -2.346 -16.024 1.00 62.42 C ATOM 141 O PRO A 12 15.697 -1.275 -16.359 1.00 44.11 O ATOM 142 CB PRO A 12 18.639 -2.644 -15.503 1.00 43.55 C ATOM 143 CG PRO A 12 18.837 -4.118 -15.422 1.00 51.12 C ATOM 144 CD PRO A 12 18.110 -4.566 -14.185 1.00 14.55 C ATOM 0 HA PRO A 12 17.151 -1.456 -14.385 1.00 33.42 H new ATOM 0 HB2 PRO A 12 18.699 -2.293 -16.533 1.00 43.55 H new ATOM 0 HB3 PRO A 12 19.404 -2.110 -14.939 1.00 43.55 H new ATOM 0 HG2 PRO A 12 18.441 -4.614 -16.308 1.00 51.12 H new ATOM 0 HG3 PRO A 12 19.897 -4.367 -15.364 1.00 51.12 H new ATOM 0 HD2 PRO A 12 17.694 -5.566 -14.304 1.00 14.55 H new ATOM 0 HD3 PRO A 12 18.771 -4.597 -13.319 1.00 14.55 H new ATOM 152 N SER A 13 15.882 -3.506 -16.591 1.00 2.44 N ATOM 153 CA SER A 13 14.900 -3.586 -17.665 1.00 54.21 C ATOM 154 C SER A 13 13.499 -3.275 -17.145 1.00 44.01 C ATOM 155 O SER A 13 12.624 -2.856 -17.901 1.00 33.31 O ATOM 156 CB SER A 13 14.922 -4.976 -18.303 1.00 22.45 C ATOM 157 OG SER A 13 14.519 -4.922 -19.660 1.00 10.21 O ATOM 0 H SER A 13 16.289 -4.402 -16.324 1.00 2.44 H new ATOM 0 HA SER A 13 15.162 -2.844 -18.419 1.00 54.21 H new ATOM 0 HB2 SER A 13 15.926 -5.394 -18.235 1.00 22.45 H new ATOM 0 HB3 SER A 13 14.261 -5.643 -17.751 1.00 22.45 H new ATOM 0 HG SER A 13 14.543 -5.823 -20.045 1.00 10.21 H new ATOM 163 N ASN A 14 13.297 -3.484 -15.848 1.00 52.52 N ATOM 164 CA ASN A 14 12.003 -3.227 -15.226 1.00 2.53 C ATOM 165 C ASN A 14 12.177 -2.541 -13.874 1.00 13.40 C ATOM 166 O ASN A 14 11.817 -3.094 -12.835 1.00 14.12 O ATOM 167 CB ASN A 14 11.229 -4.535 -15.051 1.00 1.42 C ATOM 168 CG ASN A 14 9.727 -4.329 -15.101 1.00 65.01 C ATOM 169 OD1 ASN A 14 9.240 -3.203 -14.999 1.00 22.12 O ATOM 170 ND2 ASN A 14 8.986 -5.419 -15.259 1.00 61.40 N ATOM 0 H ASN A 14 14.012 -3.830 -15.208 1.00 52.52 H new ATOM 0 HA ASN A 14 11.438 -2.563 -15.881 1.00 2.53 H new ATOM 0 HB2 ASN A 14 11.523 -5.235 -15.833 1.00 1.42 H new ATOM 0 HB3 ASN A 14 11.499 -4.989 -14.098 1.00 1.42 H new ATOM 0 HD21 ASN A 14 7.970 -5.343 -15.300 1.00 61.40 H new ATOM 0 HD22 ASN A 14 9.433 -6.332 -15.339 1.00 61.40 H new ATOM 177 N ASP A 15 12.730 -1.333 -13.896 1.00 53.04 N ATOM 178 CA ASP A 15 12.950 -0.570 -12.673 1.00 53.12 C ATOM 179 C ASP A 15 11.677 -0.508 -11.835 1.00 33.52 C ATOM 180 O ASP A 15 10.669 0.055 -12.261 1.00 30.11 O ATOM 181 CB ASP A 15 13.424 0.845 -13.008 1.00 14.21 C ATOM 182 CG ASP A 15 12.404 1.621 -13.818 1.00 71.25 C ATOM 183 OD1 ASP A 15 12.066 1.171 -14.933 1.00 63.32 O ATOM 184 OD2 ASP A 15 11.944 2.678 -13.339 1.00 0.34 O ATOM 0 H ASP A 15 13.034 -0.861 -14.748 1.00 53.04 H new ATOM 0 HA ASP A 15 13.722 -1.076 -12.092 1.00 53.12 H new ATOM 0 HB2 ASP A 15 13.635 1.383 -12.084 1.00 14.21 H new ATOM 0 HB3 ASP A 15 14.359 0.789 -13.565 1.00 14.21 H new ATOM 189 N GLN A 16 11.731 -1.093 -10.642 1.00 50.52 N ATOM 190 CA GLN A 16 10.581 -1.105 -9.745 1.00 63.24 C ATOM 191 C GLN A 16 11.000 -0.763 -8.319 1.00 74.02 C ATOM 192 O GLN A 16 11.108 -1.643 -7.465 1.00 12.04 O ATOM 193 CB GLN A 16 9.900 -2.474 -9.775 1.00 32.40 C ATOM 194 CG GLN A 16 9.412 -2.881 -11.156 1.00 71.30 C ATOM 195 CD GLN A 16 7.904 -2.796 -11.291 1.00 23.21 C ATOM 196 OE1 GLN A 16 7.377 -1.888 -11.934 1.00 4.33 O ATOM 197 NE2 GLN A 16 7.201 -3.745 -10.684 1.00 11.10 N ATOM 0 H GLN A 16 12.558 -1.564 -10.275 1.00 50.52 H new ATOM 0 HA GLN A 16 9.875 -0.348 -10.088 1.00 63.24 H new ATOM 0 HB2 GLN A 16 10.599 -3.226 -9.410 1.00 32.40 H new ATOM 0 HB3 GLN A 16 9.054 -2.465 -9.088 1.00 32.40 H new ATOM 0 HG2 GLN A 16 9.877 -2.240 -11.905 1.00 71.30 H new ATOM 0 HG3 GLN A 16 9.735 -3.901 -11.365 1.00 71.30 H new ATOM 0 HE21 GLN A 16 7.679 -4.479 -10.162 1.00 11.10 H new ATOM 0 HE22 GLN A 16 6.183 -3.740 -10.740 1.00 11.10 H new ATOM 206 N CYS A 17 11.234 0.521 -8.069 1.00 21.34 N ATOM 207 CA CYS A 17 11.641 0.980 -6.746 1.00 45.24 C ATOM 208 C CYS A 17 10.582 1.895 -6.138 1.00 62.11 C ATOM 209 O CYS A 17 9.504 2.078 -6.705 1.00 24.01 O ATOM 210 CB CYS A 17 12.980 1.717 -6.829 1.00 60.54 C ATOM 211 SG CYS A 17 14.391 0.648 -7.259 1.00 23.53 S ATOM 0 H CYS A 17 11.149 1.262 -8.765 1.00 21.34 H new ATOM 0 HA CYS A 17 11.753 0.106 -6.104 1.00 45.24 H new ATOM 0 HB2 CYS A 17 12.900 2.511 -7.571 1.00 60.54 H new ATOM 0 HB3 CYS A 17 13.179 2.196 -5.870 1.00 60.54 H new ATOM 216 N CYS A 18 10.897 2.467 -4.981 1.00 13.21 N ATOM 217 CA CYS A 18 9.974 3.363 -4.294 1.00 74.23 C ATOM 218 C CYS A 18 10.110 4.790 -4.817 1.00 62.13 C ATOM 219 O CYS A 18 11.068 5.493 -4.494 1.00 71.20 O ATOM 220 CB CYS A 18 10.229 3.334 -2.786 1.00 60.01 C ATOM 221 SG CYS A 18 9.876 1.728 -2.003 1.00 23.42 S ATOM 0 H CYS A 18 11.785 2.326 -4.499 1.00 13.21 H new ATOM 0 HA CYS A 18 8.959 3.018 -4.490 1.00 74.23 H new ATOM 0 HB2 CYS A 18 11.270 3.596 -2.599 1.00 60.01 H new ATOM 0 HB3 CYS A 18 9.617 4.100 -2.310 1.00 60.01 H new ATOM 226 N LYS A 19 9.145 5.212 -5.627 1.00 42.03 N ATOM 227 CA LYS A 19 9.155 6.555 -6.195 1.00 10.12 C ATOM 228 C LYS A 19 8.988 7.608 -5.104 1.00 25.02 C ATOM 229 O LYS A 19 9.558 8.696 -5.186 1.00 23.01 O ATOM 230 CB LYS A 19 8.040 6.700 -7.233 1.00 41.40 C ATOM 231 CG LYS A 19 8.038 5.601 -8.281 1.00 35.32 C ATOM 232 CD LYS A 19 9.281 5.658 -9.153 1.00 13.25 C ATOM 233 CE LYS A 19 9.174 4.712 -10.339 1.00 11.13 C ATOM 234 NZ LYS A 19 9.536 3.316 -9.969 1.00 22.21 N ATOM 0 H LYS A 19 8.346 4.643 -5.905 1.00 42.03 H new ATOM 0 HA LYS A 19 10.118 6.710 -6.681 1.00 10.12 H new ATOM 0 HB2 LYS A 19 7.077 6.705 -6.722 1.00 41.40 H new ATOM 0 HB3 LYS A 19 8.141 7.665 -7.730 1.00 41.40 H new ATOM 0 HG2 LYS A 19 7.981 4.629 -7.790 1.00 35.32 H new ATOM 0 HG3 LYS A 19 7.150 5.695 -8.906 1.00 35.32 H new ATOM 0 HD2 LYS A 19 9.429 6.677 -9.511 1.00 13.25 H new ATOM 0 HD3 LYS A 19 10.157 5.399 -8.558 1.00 13.25 H new ATOM 0 HE2 LYS A 19 8.156 4.732 -10.729 1.00 11.13 H new ATOM 0 HE3 LYS A 19 9.829 5.057 -11.139 1.00 11.13 H new ATOM 0 HZ1 LYS A 19 9.450 2.702 -10.804 1.00 22.21 H new ATOM 0 HZ2 LYS A 19 10.516 3.292 -9.621 1.00 22.21 H new ATOM 0 HZ3 LYS A 19 8.895 2.977 -9.223 1.00 22.21 H new ATOM 248 N SER A 20 8.205 7.276 -4.082 1.00 43.43 N ATOM 249 CA SER A 20 7.962 8.195 -2.976 1.00 24.31 C ATOM 250 C SER A 20 9.277 8.649 -2.349 1.00 13.53 C ATOM 251 O SER A 20 9.415 9.801 -1.936 1.00 52.03 O ATOM 252 CB SER A 20 7.082 7.529 -1.916 1.00 62.34 C ATOM 253 OG SER A 20 7.212 8.179 -0.664 1.00 34.31 O ATOM 0 H SER A 20 7.728 6.378 -3.997 1.00 43.43 H new ATOM 0 HA SER A 20 7.445 9.070 -3.370 1.00 24.31 H new ATOM 0 HB2 SER A 20 6.040 7.554 -2.236 1.00 62.34 H new ATOM 0 HB3 SER A 20 7.360 6.480 -1.815 1.00 62.34 H new ATOM 0 HG SER A 20 6.639 7.736 -0.004 1.00 34.31 H new ATOM 259 N SER A 21 10.240 7.736 -2.281 1.00 31.05 N ATOM 260 CA SER A 21 11.543 8.041 -1.700 1.00 74.44 C ATOM 261 C SER A 21 12.532 8.465 -2.781 1.00 4.51 C ATOM 262 O SER A 21 13.745 8.448 -2.569 1.00 11.30 O ATOM 263 CB SER A 21 12.085 6.826 -0.945 1.00 71.43 C ATOM 264 OG SER A 21 12.819 7.223 0.200 1.00 64.24 O ATOM 0 H SER A 21 10.143 6.779 -2.621 1.00 31.05 H new ATOM 0 HA SER A 21 11.418 8.868 -1.001 1.00 74.44 H new ATOM 0 HB2 SER A 21 11.258 6.182 -0.646 1.00 71.43 H new ATOM 0 HB3 SER A 21 12.724 6.239 -1.605 1.00 71.43 H new ATOM 0 HG SER A 21 13.153 6.428 0.666 1.00 64.24 H new ATOM 270 N SER A 22 12.006 8.847 -3.940 1.00 73.43 N ATOM 271 CA SER A 22 12.842 9.273 -5.056 1.00 72.44 C ATOM 272 C SER A 22 13.902 8.222 -5.372 1.00 45.45 C ATOM 273 O SER A 22 15.100 8.508 -5.356 1.00 5.32 O ATOM 274 CB SER A 22 13.512 10.611 -4.738 1.00 33.42 C ATOM 275 OG SER A 22 13.723 11.369 -5.916 1.00 74.23 O ATOM 0 H SER A 22 11.004 8.870 -4.131 1.00 73.43 H new ATOM 0 HA SER A 22 12.203 9.394 -5.931 1.00 72.44 H new ATOM 0 HB2 SER A 22 12.890 11.177 -4.044 1.00 33.42 H new ATOM 0 HB3 SER A 22 14.465 10.434 -4.240 1.00 33.42 H new ATOM 0 HG SER A 22 14.685 11.475 -6.069 1.00 74.23 H new ATOM 281 N LEU A 23 13.454 7.006 -5.660 1.00 73.32 N ATOM 282 CA LEU A 23 14.363 5.911 -5.981 1.00 31.34 C ATOM 283 C LEU A 23 14.241 5.514 -7.448 1.00 61.52 C ATOM 284 O LEU A 23 13.263 5.851 -8.114 1.00 12.42 O ATOM 285 CB LEU A 23 14.073 4.703 -5.088 1.00 33.02 C ATOM 286 CG LEU A 23 14.382 4.878 -3.601 1.00 24.24 C ATOM 287 CD1 LEU A 23 14.022 3.618 -2.829 1.00 11.13 C ATOM 288 CD2 LEU A 23 15.850 5.228 -3.399 1.00 35.31 C ATOM 0 H LEU A 23 12.466 6.753 -5.678 1.00 73.32 H new ATOM 0 HA LEU A 23 15.382 6.253 -5.800 1.00 31.34 H new ATOM 0 HB2 LEU A 23 13.019 4.445 -5.192 1.00 33.02 H new ATOM 0 HB3 LEU A 23 14.647 3.855 -5.461 1.00 33.02 H new ATOM 0 HG LEU A 23 13.777 5.700 -3.218 1.00 24.24 H new ATOM 0 HD11 LEU A 23 14.249 3.761 -1.773 1.00 11.13 H new ATOM 0 HD12 LEU A 23 12.958 3.410 -2.947 1.00 11.13 H new ATOM 0 HD13 LEU A 23 14.600 2.778 -3.214 1.00 11.13 H new ATOM 0 HD21 LEU A 23 16.052 5.349 -2.335 1.00 35.31 H new ATOM 0 HD22 LEU A 23 16.473 4.428 -3.798 1.00 35.31 H new ATOM 0 HD23 LEU A 23 16.077 6.158 -3.919 1.00 35.31 H new ATOM 300 N ALA A 24 15.241 4.792 -7.946 1.00 14.54 N ATOM 301 CA ALA A 24 15.243 4.345 -9.333 1.00 4.40 C ATOM 302 C ALA A 24 16.273 3.242 -9.552 1.00 43.42 C ATOM 303 O ALA A 24 17.288 3.180 -8.858 1.00 65.22 O ATOM 304 CB ALA A 24 15.516 5.517 -10.265 1.00 13.25 C ATOM 0 H ALA A 24 16.059 4.505 -7.409 1.00 14.54 H new ATOM 0 HA ALA A 24 14.258 3.937 -9.559 1.00 4.40 H new ATOM 0 HB1 ALA A 24 15.515 5.169 -11.298 1.00 13.25 H new ATOM 0 HB2 ALA A 24 14.741 6.273 -10.136 1.00 13.25 H new ATOM 0 HB3 ALA A 24 16.488 5.950 -10.030 1.00 13.25 H new ATOM 310 N CYS A 25 16.005 2.373 -10.521 1.00 3.20 N ATOM 311 CA CYS A 25 16.908 1.271 -10.831 1.00 52.24 C ATOM 312 C CYS A 25 17.831 1.634 -11.991 1.00 1.32 C ATOM 313 O CYS A 25 17.380 1.834 -13.118 1.00 54.24 O ATOM 314 CB CYS A 25 16.109 0.012 -11.176 1.00 5.21 C ATOM 315 SG CYS A 25 16.990 -1.544 -10.830 1.00 22.51 S ATOM 0 H CYS A 25 15.170 2.411 -11.105 1.00 3.20 H new ATOM 0 HA CYS A 25 17.520 1.076 -9.950 1.00 52.24 H new ATOM 0 HB2 CYS A 25 15.175 0.021 -10.614 1.00 5.21 H new ATOM 0 HB3 CYS A 25 15.845 0.040 -12.233 1.00 5.21 H new ATOM 320 N SER A 26 19.126 1.718 -11.705 1.00 25.53 N ATOM 321 CA SER A 26 20.114 2.060 -12.722 1.00 75.10 C ATOM 322 C SER A 26 20.759 0.803 -13.297 1.00 60.04 C ATOM 323 O SER A 26 21.035 -0.155 -12.574 1.00 43.13 O ATOM 324 CB SER A 26 21.189 2.975 -12.132 1.00 74.22 C ATOM 325 OG SER A 26 21.450 4.073 -12.989 1.00 14.12 O ATOM 0 H SER A 26 19.516 1.554 -10.777 1.00 25.53 H new ATOM 0 HA SER A 26 19.602 2.586 -13.528 1.00 75.10 H new ATOM 0 HB2 SER A 26 20.866 3.339 -11.157 1.00 74.22 H new ATOM 0 HB3 SER A 26 22.106 2.408 -11.972 1.00 74.22 H new ATOM 0 HG SER A 26 22.325 4.457 -12.772 1.00 14.12 H new ATOM 331 N THR A 27 20.997 0.813 -14.605 1.00 43.34 N ATOM 332 CA THR A 27 21.609 -0.325 -15.280 1.00 12.32 C ATOM 333 C THR A 27 23.114 -0.363 -15.039 1.00 53.45 C ATOM 334 O THR A 27 23.808 -1.258 -15.521 1.00 73.32 O ATOM 335 CB THR A 27 21.343 -0.288 -16.797 1.00 5.33 C ATOM 336 OG1 THR A 27 20.033 0.229 -17.052 1.00 74.33 O ATOM 337 CG2 THR A 27 21.474 -1.677 -17.403 1.00 12.11 C ATOM 0 H THR A 27 20.775 1.597 -15.218 1.00 43.34 H new ATOM 0 HA THR A 27 21.155 -1.223 -14.861 1.00 12.32 H new ATOM 0 HB THR A 27 22.085 0.363 -17.258 1.00 5.33 H new ATOM 0 HG1 THR A 27 19.872 0.251 -18.018 1.00 74.33 H new ATOM 0 HG21 THR A 27 21.282 -1.626 -18.475 1.00 12.11 H new ATOM 0 HG22 THR A 27 22.482 -2.055 -17.233 1.00 12.11 H new ATOM 0 HG23 THR A 27 20.752 -2.347 -16.936 1.00 12.11 H new ATOM 345 N LYS A 28 23.613 0.615 -14.291 1.00 23.32 N ATOM 346 CA LYS A 28 25.037 0.693 -13.984 1.00 34.10 C ATOM 347 C LYS A 28 25.350 -0.020 -12.672 1.00 43.33 C ATOM 348 O LYS A 28 26.264 -0.843 -12.604 1.00 50.52 O ATOM 349 CB LYS A 28 25.482 2.155 -13.902 1.00 21.42 C ATOM 350 CG LYS A 28 26.115 2.671 -15.183 1.00 20.55 C ATOM 351 CD LYS A 28 26.171 4.189 -15.205 1.00 20.24 C ATOM 352 CE LYS A 28 27.559 4.690 -15.573 1.00 1.13 C ATOM 353 NZ LYS A 28 27.571 6.158 -15.822 1.00 55.13 N ATOM 0 H LYS A 28 23.053 1.365 -13.886 1.00 23.32 H new ATOM 0 HA LYS A 28 25.585 0.198 -14.786 1.00 34.10 H new ATOM 0 HB2 LYS A 28 24.620 2.775 -13.657 1.00 21.42 H new ATOM 0 HB3 LYS A 28 26.195 2.264 -13.085 1.00 21.42 H new ATOM 0 HG2 LYS A 28 27.123 2.267 -15.280 1.00 20.55 H new ATOM 0 HG3 LYS A 28 25.545 2.315 -16.041 1.00 20.55 H new ATOM 0 HD2 LYS A 28 25.443 4.571 -15.921 1.00 20.24 H new ATOM 0 HD3 LYS A 28 25.890 4.579 -14.227 1.00 20.24 H new ATOM 0 HE2 LYS A 28 28.256 4.452 -14.769 1.00 1.13 H new ATOM 0 HE3 LYS A 28 27.909 4.168 -16.463 1.00 1.13 H new ATOM 0 HZ1 LYS A 28 28.535 6.460 -16.070 1.00 55.13 H new ATOM 0 HZ2 LYS A 28 26.925 6.382 -16.606 1.00 55.13 H new ATOM 0 HZ3 LYS A 28 27.261 6.658 -14.964 1.00 55.13 H new ATOM 367 N HIS A 29 24.586 0.300 -11.633 1.00 2.44 N ATOM 368 CA HIS A 29 24.782 -0.311 -10.323 1.00 71.20 C ATOM 369 C HIS A 29 23.745 -1.402 -10.072 1.00 55.42 C ATOM 370 O HIS A 29 23.950 -2.290 -9.245 1.00 34.10 O ATOM 371 CB HIS A 29 24.700 0.749 -9.224 1.00 64.13 C ATOM 372 CG HIS A 29 25.782 1.782 -9.307 1.00 73.22 C ATOM 373 ND1 HIS A 29 27.060 1.500 -9.742 1.00 55.45 N ATOM 374 CD2 HIS A 29 25.770 3.102 -9.009 1.00 54.12 C ATOM 375 CE1 HIS A 29 27.787 2.603 -9.707 1.00 21.51 C ATOM 376 NE2 HIS A 29 27.028 3.589 -9.266 1.00 14.11 N ATOM 0 H HIS A 29 23.826 0.979 -11.672 1.00 2.44 H new ATOM 0 HA HIS A 29 25.773 -0.765 -10.306 1.00 71.20 H new ATOM 0 HB2 HIS A 29 23.731 1.244 -9.280 1.00 64.13 H new ATOM 0 HB3 HIS A 29 24.751 0.258 -8.252 1.00 64.13 H new ATOM 0 HD2 HIS A 29 24.928 3.667 -8.638 1.00 54.12 H new ATOM 0 HE1 HIS A 29 28.826 2.684 -9.991 1.00 21.51 H new ATOM 0 HE2 HIS A 29 27.327 4.556 -9.137 1.00 14.11 H new ATOM 384 N LYS A 30 22.630 -1.327 -10.791 1.00 74.32 N ATOM 385 CA LYS A 30 21.560 -2.307 -10.648 1.00 34.40 C ATOM 386 C LYS A 30 21.018 -2.317 -9.222 1.00 53.21 C ATOM 387 O LYS A 30 21.110 -3.324 -8.520 1.00 40.20 O ATOM 388 CB LYS A 30 22.065 -3.703 -11.022 1.00 54.32 C ATOM 389 CG LYS A 30 21.975 -4.004 -12.508 1.00 42.53 C ATOM 390 CD LYS A 30 21.821 -5.493 -12.768 1.00 3.25 C ATOM 391 CE LYS A 30 23.142 -6.227 -12.599 1.00 25.30 C ATOM 392 NZ LYS A 30 24.115 -5.873 -13.670 1.00 13.22 N ATOM 0 H LYS A 30 22.444 -0.597 -11.479 1.00 74.32 H new ATOM 0 HA LYS A 30 20.752 -2.026 -11.324 1.00 34.40 H new ATOM 0 HB2 LYS A 30 23.102 -3.803 -10.702 1.00 54.32 H new ATOM 0 HB3 LYS A 30 21.489 -4.448 -10.473 1.00 54.32 H new ATOM 0 HG2 LYS A 30 21.128 -3.469 -12.938 1.00 42.53 H new ATOM 0 HG3 LYS A 30 22.871 -3.637 -13.009 1.00 42.53 H new ATOM 0 HD2 LYS A 30 21.082 -5.909 -12.083 1.00 3.25 H new ATOM 0 HD3 LYS A 30 21.443 -5.650 -13.778 1.00 3.25 H new ATOM 0 HE2 LYS A 30 23.570 -5.986 -11.626 1.00 25.30 H new ATOM 0 HE3 LYS A 30 22.964 -7.302 -12.611 1.00 25.30 H new ATOM 0 HZ1 LYS A 30 24.865 -6.592 -13.709 1.00 13.22 H new ATOM 0 HZ2 LYS A 30 23.624 -5.835 -14.586 1.00 13.22 H new ATOM 0 HZ3 LYS A 30 24.536 -4.945 -13.464 1.00 13.22 H new ATOM 406 N TRP A 31 20.452 -1.191 -8.802 1.00 21.21 N ATOM 407 CA TRP A 31 19.894 -1.071 -7.460 1.00 31.33 C ATOM 408 C TRP A 31 19.178 0.263 -7.285 1.00 51.42 C ATOM 409 O TRP A 31 19.474 1.234 -7.983 1.00 2.15 O ATOM 410 CB TRP A 31 20.999 -1.212 -6.411 1.00 74.53 C ATOM 411 CG TRP A 31 21.817 0.032 -6.239 1.00 73.52 C ATOM 412 CD1 TRP A 31 22.245 0.874 -7.225 1.00 62.43 C ATOM 413 CD2 TRP A 31 22.306 0.572 -5.007 1.00 32.21 C ATOM 414 NE1 TRP A 31 22.971 1.905 -6.680 1.00 63.12 N ATOM 415 CE2 TRP A 31 23.022 1.743 -5.321 1.00 4.31 C ATOM 416 CE3 TRP A 31 22.207 0.181 -3.669 1.00 14.52 C ATOM 417 CZ2 TRP A 31 23.636 2.524 -4.345 1.00 51.31 C ATOM 418 CZ3 TRP A 31 22.816 0.958 -2.702 1.00 23.45 C ATOM 419 CH2 TRP A 31 23.523 2.118 -3.043 1.00 52.52 C ATOM 0 H TRP A 31 20.367 -0.349 -9.371 1.00 21.21 H new ATOM 0 HA TRP A 31 19.168 -1.872 -7.323 1.00 31.33 H new ATOM 0 HB2 TRP A 31 20.550 -1.478 -5.454 1.00 74.53 H new ATOM 0 HB3 TRP A 31 21.656 -2.034 -6.694 1.00 74.53 H new ATOM 0 HD1 TRP A 31 22.043 0.748 -8.278 1.00 62.43 H new ATOM 0 HE1 TRP A 31 23.402 2.667 -7.203 1.00 63.12 H new ATOM 0 HE3 TRP A 31 21.665 -0.712 -3.396 1.00 14.52 H new ATOM 0 HZ2 TRP A 31 24.182 3.418 -4.606 1.00 51.31 H new ATOM 0 HZ3 TRP A 31 22.746 0.666 -1.665 1.00 23.45 H new ATOM 0 HH2 TRP A 31 23.988 2.703 -2.263 1.00 52.52 H new ATOM 430 N CYS A 32 18.234 0.306 -6.350 1.00 44.04 N ATOM 431 CA CYS A 32 17.475 1.522 -6.084 1.00 65.11 C ATOM 432 C CYS A 32 18.390 2.634 -5.577 1.00 74.41 C ATOM 433 O CYS A 32 18.702 2.702 -4.388 1.00 41.31 O ATOM 434 CB CYS A 32 16.373 1.246 -5.060 1.00 2.04 C ATOM 435 SG CYS A 32 15.195 -0.048 -5.566 1.00 12.24 S ATOM 0 H CYS A 32 17.977 -0.488 -5.764 1.00 44.04 H new ATOM 0 HA CYS A 32 17.019 1.849 -7.019 1.00 65.11 H new ATOM 0 HB2 CYS A 32 16.834 0.954 -4.116 1.00 2.04 H new ATOM 0 HB3 CYS A 32 15.824 2.169 -4.875 1.00 2.04 H new ATOM 440 N LYS A 33 18.815 3.503 -6.487 1.00 43.12 N ATOM 441 CA LYS A 33 19.692 4.613 -6.134 1.00 42.32 C ATOM 442 C LYS A 33 18.916 5.925 -6.085 1.00 11.42 C ATOM 443 O LYS A 33 18.024 6.161 -6.901 1.00 4.44 O ATOM 444 CB LYS A 33 20.839 4.724 -7.141 1.00 50.44 C ATOM 445 CG LYS A 33 20.380 4.720 -8.589 1.00 74.41 C ATOM 446 CD LYS A 33 21.283 5.573 -9.464 1.00 12.14 C ATOM 447 CE LYS A 33 22.687 4.996 -9.545 1.00 25.51 C ATOM 448 NZ LYS A 33 23.546 5.757 -10.494 1.00 22.12 N ATOM 0 H LYS A 33 18.566 3.460 -7.475 1.00 43.12 H new ATOM 0 HA LYS A 33 20.104 4.417 -5.144 1.00 42.32 H new ATOM 0 HB2 LYS A 33 21.394 5.642 -6.947 1.00 50.44 H new ATOM 0 HB3 LYS A 33 21.530 3.895 -6.985 1.00 50.44 H new ATOM 0 HG2 LYS A 33 20.369 3.697 -8.965 1.00 74.41 H new ATOM 0 HG3 LYS A 33 19.357 5.093 -8.648 1.00 74.41 H new ATOM 0 HD2 LYS A 33 20.859 5.644 -10.466 1.00 12.14 H new ATOM 0 HD3 LYS A 33 21.327 6.586 -9.064 1.00 12.14 H new ATOM 0 HE2 LYS A 33 23.142 5.007 -8.555 1.00 25.51 H new ATOM 0 HE3 LYS A 33 22.634 3.954 -9.859 1.00 25.51 H new ATOM 0 HZ1 LYS A 33 24.495 5.332 -10.521 1.00 22.12 H new ATOM 0 HZ2 LYS A 33 23.126 5.725 -11.445 1.00 22.12 H new ATOM 0 HZ3 LYS A 33 23.618 6.746 -10.180 1.00 22.12 H new ATOM 462 N TYR A 34 19.261 6.776 -5.125 1.00 21.24 N ATOM 463 CA TYR A 34 18.596 8.064 -4.969 1.00 33.21 C ATOM 464 C TYR A 34 18.732 8.904 -6.235 1.00 4.22 C ATOM 465 O TYR A 34 19.840 9.153 -6.711 1.00 34.24 O ATOM 466 CB TYR A 34 19.179 8.822 -3.775 1.00 33.41 C ATOM 467 CG TYR A 34 18.624 8.371 -2.442 1.00 64.34 C ATOM 468 CD1 TYR A 34 17.257 8.383 -2.197 1.00 13.42 C ATOM 469 CD2 TYR A 34 19.468 7.933 -1.429 1.00 12.12 C ATOM 470 CE1 TYR A 34 16.746 7.973 -0.981 1.00 14.13 C ATOM 471 CE2 TYR A 34 18.965 7.520 -0.210 1.00 64.42 C ATOM 472 CZ TYR A 34 17.604 7.542 0.009 1.00 31.41 C ATOM 473 OH TYR A 34 17.100 7.132 1.222 1.00 34.12 O ATOM 0 H TYR A 34 19.998 6.597 -4.443 1.00 21.24 H new ATOM 0 HA TYR A 34 17.537 7.878 -4.790 1.00 33.21 H new ATOM 0 HB2 TYR A 34 20.262 8.697 -3.769 1.00 33.41 H new ATOM 0 HB3 TYR A 34 18.982 9.887 -3.900 1.00 33.41 H new ATOM 0 HD1 TYR A 34 16.582 8.719 -2.970 1.00 13.42 H new ATOM 0 HD2 TYR A 34 20.535 7.915 -1.597 1.00 12.12 H new ATOM 0 HE1 TYR A 34 15.680 7.990 -0.806 1.00 14.13 H new ATOM 0 HE2 TYR A 34 19.634 7.182 0.567 1.00 64.42 H new ATOM 0 HH TYR A 34 17.837 6.859 1.807 1.00 34.12 H new ATOM 483 N GLU A 35 17.598 9.339 -6.774 1.00 72.01 N ATOM 484 CA GLU A 35 17.590 10.151 -7.985 1.00 4.51 C ATOM 485 C GLU A 35 17.557 11.638 -7.642 1.00 41.14 C ATOM 486 O GLU A 35 16.532 12.164 -7.207 1.00 33.21 O ATOM 487 CB GLU A 35 16.388 9.791 -8.860 1.00 11.50 C ATOM 488 CG GLU A 35 16.712 8.795 -9.960 1.00 44.24 C ATOM 489 CD GLU A 35 16.879 9.456 -11.315 1.00 0.00 C ATOM 490 OE1 GLU A 35 15.933 10.136 -11.764 1.00 42.14 O ATOM 491 OE2 GLU A 35 17.956 9.293 -11.925 1.00 64.24 O ATOM 0 H GLU A 35 16.673 9.143 -6.391 1.00 72.01 H new ATOM 0 HA GLU A 35 18.506 9.943 -8.537 1.00 4.51 H new ATOM 0 HB2 GLU A 35 15.601 9.379 -8.229 1.00 11.50 H new ATOM 0 HB3 GLU A 35 15.992 10.701 -9.311 1.00 11.50 H new ATOM 0 HG2 GLU A 35 17.628 8.262 -9.704 1.00 44.24 H new ATOM 0 HG3 GLU A 35 15.917 8.052 -10.018 1.00 44.24 H new ATOM 498 N LEU A 36 18.685 12.310 -7.841 1.00 45.34 N ATOM 499 CA LEU A 36 18.787 13.737 -7.554 1.00 22.25 C ATOM 500 C LEU A 36 18.394 14.567 -8.771 1.00 1.40 C ATOM 501 O LEU A 36 17.551 15.459 -8.681 1.00 14.35 O ATOM 502 CB LEU A 36 20.211 14.089 -7.120 1.00 1.33 C ATOM 503 CG LEU A 36 20.582 13.732 -5.680 1.00 31.11 C ATOM 504 CD1 LEU A 36 22.073 13.922 -5.450 1.00 62.30 C ATOM 505 CD2 LEU A 36 19.778 14.572 -4.698 1.00 30.30 C ATOM 0 H LEU A 36 19.542 11.890 -8.200 1.00 45.34 H new ATOM 0 HA LEU A 36 18.098 13.969 -6.742 1.00 22.25 H new ATOM 0 HB2 LEU A 36 20.908 13.585 -7.789 1.00 1.33 H new ATOM 0 HB3 LEU A 36 20.356 15.161 -7.256 1.00 1.33 H new ATOM 0 HG LEU A 36 20.340 12.682 -5.513 1.00 31.11 H new ATOM 0 HD11 LEU A 36 22.318 13.663 -4.420 1.00 62.30 H new ATOM 0 HD12 LEU A 36 22.631 13.277 -6.129 1.00 62.30 H new ATOM 0 HD13 LEU A 36 22.340 14.962 -5.636 1.00 62.30 H new ATOM 0 HD21 LEU A 36 20.055 14.304 -3.678 1.00 30.30 H new ATOM 0 HD22 LEU A 36 19.988 15.628 -4.866 1.00 30.30 H new ATOM 0 HD23 LEU A 36 18.714 14.386 -4.846 1.00 30.30 H new TER 517 LEU A 36