USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=9 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 -140:sc= 0 USER MOD Set 1.2: A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 44:sc= 0.212 USER MOD Single : A 11 ASN : amide:sc= -2.14! C(o=-2.1!,f=-2.5!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0897 K(o=-0.09,f=-1.1) USER MOD Single : A 16 GLN : amide:sc=-0.000979 X(o=-0.00098,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0032) USER MOD Single : A 29 HIS : no HD1:sc= -0.0337 X(o=-0.034,f=-0.12) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.876 1.108 -0.091 1.00 60.41 N ATOM 2 CA GLY A 1 2.257 0.056 -0.876 1.00 71.22 C ATOM 3 C GLY A 1 3.184 -1.122 -1.101 1.00 31.34 C ATOM 4 O GLY A 1 3.355 -1.963 -0.218 1.00 74.04 O ATOM 0 H1 GLY A 1 2.202 1.890 0.035 1.00 60.41 H new ATOM 0 H2 GLY A 1 3.148 0.732 0.840 1.00 60.41 H new ATOM 0 H3 GLY A 1 3.723 1.457 -0.584 1.00 60.41 H new ATOM 0 HA2 GLY A 1 1.355 -0.287 -0.370 1.00 71.22 H new ATOM 0 HA3 GLY A 1 1.948 0.460 -1.840 1.00 71.22 H new ATOM 8 N ALA A 2 3.783 -1.185 -2.285 1.00 51.33 N ATOM 9 CA ALA A 2 4.697 -2.268 -2.623 1.00 24.32 C ATOM 10 C ALA A 2 5.795 -1.787 -3.566 1.00 0.14 C ATOM 11 O ALA A 2 5.551 -1.550 -4.749 1.00 63.01 O ATOM 12 CB ALA A 2 3.935 -3.428 -3.246 1.00 54.12 C ATOM 0 H ALA A 2 3.651 -0.498 -3.027 1.00 51.33 H new ATOM 0 HA ALA A 2 5.169 -2.611 -1.702 1.00 24.32 H new ATOM 0 HB1 ALA A 2 4.631 -4.230 -3.493 1.00 54.12 H new ATOM 0 HB2 ALA A 2 3.193 -3.797 -2.539 1.00 54.12 H new ATOM 0 HB3 ALA A 2 3.435 -3.089 -4.153 1.00 54.12 H new ATOM 18 N CYS A 3 7.004 -1.643 -3.034 1.00 23.32 N ATOM 19 CA CYS A 3 8.140 -1.189 -3.827 1.00 51.31 C ATOM 20 C CYS A 3 9.457 -1.613 -3.184 1.00 42.10 C ATOM 21 O CYS A 3 9.469 -2.329 -2.182 1.00 25.20 O ATOM 22 CB CYS A 3 8.103 0.333 -3.984 1.00 31.32 C ATOM 23 SG CYS A 3 7.977 1.240 -2.409 1.00 22.41 S ATOM 0 H CYS A 3 7.222 -1.834 -2.056 1.00 23.32 H new ATOM 0 HA CYS A 3 8.072 -1.651 -4.812 1.00 51.31 H new ATOM 0 HB2 CYS A 3 9.004 0.656 -4.506 1.00 31.32 H new ATOM 0 HB3 CYS A 3 7.256 0.602 -4.615 1.00 31.32 H new ATOM 28 N LEU A 4 10.564 -1.166 -3.767 1.00 22.04 N ATOM 29 CA LEU A 4 11.888 -1.498 -3.251 1.00 32.40 C ATOM 30 C LEU A 4 12.592 -0.255 -2.718 1.00 23.15 C ATOM 31 O LEU A 4 12.867 0.684 -3.464 1.00 21.52 O ATOM 32 CB LEU A 4 12.735 -2.148 -4.346 1.00 61.23 C ATOM 33 CG LEU A 4 12.164 -3.423 -4.969 1.00 43.30 C ATOM 34 CD1 LEU A 4 12.947 -3.804 -6.216 1.00 30.51 C ATOM 35 CD2 LEU A 4 12.177 -4.561 -3.960 1.00 21.44 C ATOM 0 H LEU A 4 10.571 -0.573 -4.597 1.00 22.04 H new ATOM 0 HA LEU A 4 11.764 -2.203 -2.429 1.00 32.40 H new ATOM 0 HB2 LEU A 4 12.889 -1.417 -5.140 1.00 61.23 H new ATOM 0 HB3 LEU A 4 13.716 -2.379 -3.930 1.00 61.23 H new ATOM 0 HG LEU A 4 11.130 -3.233 -5.258 1.00 43.30 H new ATOM 0 HD11 LEU A 4 12.527 -4.713 -6.646 1.00 30.51 H new ATOM 0 HD12 LEU A 4 12.886 -2.996 -6.945 1.00 30.51 H new ATOM 0 HD13 LEU A 4 13.990 -3.976 -5.952 1.00 30.51 H new ATOM 0 HD21 LEU A 4 11.767 -5.460 -4.420 1.00 21.44 H new ATOM 0 HD22 LEU A 4 13.201 -4.752 -3.640 1.00 21.44 H new ATOM 0 HD23 LEU A 4 11.572 -4.288 -3.096 1.00 21.44 H new ATOM 47 N GLY A 5 12.884 -0.257 -1.420 1.00 61.02 N ATOM 48 CA GLY A 5 13.556 0.875 -0.809 1.00 61.14 C ATOM 49 C GLY A 5 14.983 1.033 -1.295 1.00 41.35 C ATOM 50 O GLY A 5 15.445 0.272 -2.145 1.00 64.33 O ATOM 0 H GLY A 5 12.667 -1.022 -0.781 1.00 61.02 H new ATOM 0 HA2 GLY A 5 12.998 1.786 -1.027 1.00 61.14 H new ATOM 0 HA3 GLY A 5 13.556 0.753 0.274 1.00 61.14 H new ATOM 54 N PHE A 6 15.683 2.026 -0.757 1.00 2.11 N ATOM 55 CA PHE A 6 17.066 2.284 -1.143 1.00 14.01 C ATOM 56 C PHE A 6 17.978 1.148 -0.689 1.00 51.13 C ATOM 57 O PHE A 6 17.902 0.694 0.452 1.00 50.15 O ATOM 58 CB PHE A 6 17.546 3.608 -0.545 1.00 53.35 C ATOM 59 CG PHE A 6 18.958 3.957 -0.918 1.00 43.14 C ATOM 60 CD1 PHE A 6 19.241 4.548 -2.139 1.00 54.43 C ATOM 61 CD2 PHE A 6 20.004 3.694 -0.048 1.00 14.21 C ATOM 62 CE1 PHE A 6 20.540 4.869 -2.485 1.00 54.51 C ATOM 63 CE2 PHE A 6 21.305 4.014 -0.388 1.00 72.51 C ATOM 64 CZ PHE A 6 21.573 4.603 -1.608 1.00 32.10 C ATOM 0 H PHE A 6 15.316 2.665 -0.052 1.00 2.11 H new ATOM 0 HA PHE A 6 17.108 2.348 -2.230 1.00 14.01 H new ATOM 0 HB2 PHE A 6 16.883 4.408 -0.875 1.00 53.35 H new ATOM 0 HB3 PHE A 6 17.468 3.557 0.541 1.00 53.35 H new ATOM 0 HD1 PHE A 6 18.437 4.760 -2.828 1.00 54.43 H new ATOM 0 HD2 PHE A 6 19.800 3.233 0.907 1.00 14.21 H new ATOM 0 HE1 PHE A 6 20.747 5.328 -3.441 1.00 54.51 H new ATOM 0 HE2 PHE A 6 22.111 3.804 0.300 1.00 72.51 H new ATOM 0 HZ PHE A 6 22.588 4.855 -1.876 1.00 32.10 H new ATOM 74 N GLY A 7 18.841 0.693 -1.593 1.00 12.00 N ATOM 75 CA GLY A 7 19.755 -0.386 -1.268 1.00 70.21 C ATOM 76 C GLY A 7 19.157 -1.753 -1.537 1.00 44.03 C ATOM 77 O GLY A 7 19.651 -2.764 -1.038 1.00 32.34 O ATOM 0 H GLY A 7 18.923 1.053 -2.544 1.00 12.00 H new ATOM 0 HA2 GLY A 7 20.669 -0.272 -1.851 1.00 70.21 H new ATOM 0 HA3 GLY A 7 20.036 -0.316 -0.217 1.00 70.21 H new ATOM 81 N LYS A 8 18.090 -1.785 -2.328 1.00 63.13 N ATOM 82 CA LYS A 8 17.423 -3.037 -2.664 1.00 22.54 C ATOM 83 C LYS A 8 17.823 -3.511 -4.057 1.00 44.03 C ATOM 84 O LYS A 8 18.107 -2.702 -4.940 1.00 52.35 O ATOM 85 CB LYS A 8 15.904 -2.866 -2.588 1.00 63.21 C ATOM 86 CG LYS A 8 15.405 -2.470 -1.210 1.00 13.23 C ATOM 87 CD LYS A 8 15.567 -3.603 -0.210 1.00 42.15 C ATOM 88 CE LYS A 8 14.441 -4.618 -0.331 1.00 31.00 C ATOM 89 NZ LYS A 8 14.852 -5.963 0.158 1.00 60.20 N ATOM 0 H LYS A 8 17.668 -0.957 -2.749 1.00 63.13 H new ATOM 0 HA LYS A 8 17.734 -3.790 -1.941 1.00 22.54 H new ATOM 0 HB2 LYS A 8 15.596 -2.108 -3.308 1.00 63.21 H new ATOM 0 HB3 LYS A 8 15.426 -3.800 -2.884 1.00 63.21 H new ATOM 0 HG2 LYS A 8 15.953 -1.595 -0.861 1.00 13.23 H new ATOM 0 HG3 LYS A 8 14.355 -2.185 -1.271 1.00 13.23 H new ATOM 0 HD2 LYS A 8 16.524 -4.099 -0.372 1.00 42.15 H new ATOM 0 HD3 LYS A 8 15.585 -3.197 0.801 1.00 42.15 H new ATOM 0 HE2 LYS A 8 13.578 -4.273 0.238 1.00 31.00 H new ATOM 0 HE3 LYS A 8 14.128 -4.690 -1.372 1.00 31.00 H new ATOM 0 HZ1 LYS A 8 14.057 -6.626 0.059 1.00 60.20 H new ATOM 0 HZ2 LYS A 8 15.659 -6.304 -0.402 1.00 60.20 H new ATOM 0 HZ3 LYS A 8 15.127 -5.899 1.159 1.00 60.20 H new ATOM 103 N SER A 9 17.843 -4.826 -4.248 1.00 31.34 N ATOM 104 CA SER A 9 18.211 -5.407 -5.534 1.00 35.35 C ATOM 105 C SER A 9 17.041 -5.346 -6.511 1.00 60.34 C ATOM 106 O SER A 9 16.070 -6.092 -6.383 1.00 73.23 O ATOM 107 CB SER A 9 18.663 -6.857 -5.351 1.00 74.53 C ATOM 108 OG SER A 9 17.745 -7.581 -4.549 1.00 4.41 O ATOM 0 H SER A 9 17.609 -5.510 -3.528 1.00 31.34 H new ATOM 0 HA SER A 9 19.036 -4.826 -5.946 1.00 35.35 H new ATOM 0 HB2 SER A 9 18.757 -7.337 -6.325 1.00 74.53 H new ATOM 0 HB3 SER A 9 19.650 -6.878 -4.888 1.00 74.53 H new ATOM 0 HG SER A 9 16.830 -7.377 -4.834 1.00 4.41 H new ATOM 114 N CYS A 10 17.142 -4.452 -7.489 1.00 54.00 N ATOM 115 CA CYS A 10 16.094 -4.291 -8.490 1.00 33.13 C ATOM 116 C CYS A 10 16.608 -4.657 -9.879 1.00 54.12 C ATOM 117 O CYS A 10 17.785 -4.967 -10.055 1.00 1.12 O ATOM 118 CB CYS A 10 15.575 -2.852 -8.488 1.00 52.24 C ATOM 119 SG CYS A 10 16.874 -1.593 -8.702 1.00 41.11 S ATOM 0 H CYS A 10 17.939 -3.828 -7.610 1.00 54.00 H new ATOM 0 HA CYS A 10 15.276 -4.965 -8.236 1.00 33.13 H new ATOM 0 HB2 CYS A 10 14.841 -2.741 -9.286 1.00 52.24 H new ATOM 0 HB3 CYS A 10 15.055 -2.666 -7.548 1.00 52.24 H new ATOM 124 N ASN A 11 15.715 -4.618 -10.863 1.00 42.24 N ATOM 125 CA ASN A 11 16.078 -4.945 -12.237 1.00 71.25 C ATOM 126 C ASN A 11 16.091 -3.694 -13.110 1.00 10.53 C ATOM 127 O ASN A 11 15.208 -2.839 -13.026 1.00 64.21 O ATOM 128 CB ASN A 11 15.101 -5.972 -12.814 1.00 10.10 C ATOM 129 CG ASN A 11 15.694 -6.746 -13.975 1.00 63.12 C ATOM 130 OD1 ASN A 11 16.656 -7.497 -13.809 1.00 14.04 O ATOM 131 ND2 ASN A 11 15.122 -6.566 -15.160 1.00 44.21 N ATOM 0 H ASN A 11 14.736 -4.363 -10.734 1.00 42.24 H new ATOM 0 HA ASN A 11 17.081 -5.371 -12.229 1.00 71.25 H new ATOM 0 HB2 ASN A 11 14.806 -6.669 -12.030 1.00 10.10 H new ATOM 0 HB3 ASN A 11 14.196 -5.462 -13.145 1.00 10.10 H new ATOM 0 HD21 ASN A 11 15.478 -7.060 -15.978 1.00 44.21 H new ATOM 0 HD22 ASN A 11 14.327 -5.934 -15.252 1.00 44.21 H new ATOM 138 N PRO A 12 17.116 -3.581 -13.968 1.00 75.10 N ATOM 139 CA PRO A 12 17.268 -2.438 -14.873 1.00 61.33 C ATOM 140 C PRO A 12 16.215 -2.428 -15.976 1.00 41.22 C ATOM 141 O PRO A 12 15.675 -1.377 -16.322 1.00 30.12 O ATOM 142 CB PRO A 12 18.664 -2.641 -15.468 1.00 52.04 C ATOM 143 CG PRO A 12 18.908 -4.107 -15.370 1.00 24.24 C ATOM 144 CD PRO A 12 18.204 -4.561 -14.121 1.00 74.43 C ATOM 0 HA PRO A 12 17.145 -1.487 -14.354 1.00 61.33 H new ATOM 0 HB2 PRO A 12 18.707 -2.301 -16.503 1.00 52.04 H new ATOM 0 HB3 PRO A 12 19.416 -2.077 -14.916 1.00 52.04 H new ATOM 0 HG2 PRO A 12 18.521 -4.627 -16.247 1.00 24.24 H new ATOM 0 HG3 PRO A 12 19.975 -4.322 -15.317 1.00 24.24 H new ATOM 0 HD2 PRO A 12 17.819 -5.576 -14.223 1.00 74.43 H new ATOM 0 HD3 PRO A 12 18.872 -4.558 -13.260 1.00 74.43 H new ATOM 152 N SER A 13 15.928 -3.604 -16.525 1.00 13.11 N ATOM 153 CA SER A 13 14.941 -3.729 -17.591 1.00 63.15 C ATOM 154 C SER A 13 13.541 -3.411 -17.076 1.00 51.24 C ATOM 155 O SER A 13 12.661 -3.018 -17.841 1.00 71.52 O ATOM 156 CB SER A 13 14.972 -5.141 -18.180 1.00 52.10 C ATOM 157 OG SER A 13 14.420 -5.161 -19.485 1.00 62.52 O ATOM 0 H SER A 13 16.365 -4.484 -16.249 1.00 13.11 H new ATOM 0 HA SER A 13 15.193 -3.011 -18.372 1.00 63.15 H new ATOM 0 HB2 SER A 13 16.000 -5.503 -18.211 1.00 52.10 H new ATOM 0 HB3 SER A 13 14.414 -5.820 -17.535 1.00 52.10 H new ATOM 0 HG SER A 13 14.453 -6.074 -19.840 1.00 62.52 H new ATOM 163 N ASN A 14 13.343 -3.583 -15.773 1.00 62.14 N ATOM 164 CA ASN A 14 12.050 -3.315 -15.155 1.00 20.24 C ATOM 165 C ASN A 14 12.225 -2.627 -13.804 1.00 44.24 C ATOM 166 O ASN A 14 11.907 -3.196 -12.760 1.00 43.20 O ATOM 167 CB ASN A 14 11.266 -4.617 -14.978 1.00 22.21 C ATOM 168 CG ASN A 14 9.766 -4.396 -14.998 1.00 60.34 C ATOM 169 OD1 ASN A 14 9.260 -3.566 -15.753 1.00 50.32 O ATOM 170 ND2 ASN A 14 9.047 -5.141 -14.166 1.00 41.14 N ATOM 0 H ASN A 14 14.061 -3.907 -15.125 1.00 62.14 H new ATOM 0 HA ASN A 14 11.492 -2.649 -15.813 1.00 20.24 H new ATOM 0 HB2 ASN A 14 11.539 -5.313 -15.772 1.00 22.21 H new ATOM 0 HB3 ASN A 14 11.549 -5.083 -14.034 1.00 22.21 H new ATOM 0 HD21 ASN A 14 8.033 -5.037 -14.135 1.00 41.14 H new ATOM 0 HD22 ASN A 14 9.509 -5.817 -13.558 1.00 41.14 H new ATOM 177 N ASP A 15 12.733 -1.399 -13.834 1.00 34.41 N ATOM 178 CA ASP A 15 12.949 -0.632 -12.613 1.00 11.11 C ATOM 179 C ASP A 15 11.691 -0.617 -11.750 1.00 73.23 C ATOM 180 O ASP A 15 10.652 -0.099 -12.160 1.00 64.34 O ATOM 181 CB ASP A 15 13.366 0.800 -12.952 1.00 64.22 C ATOM 182 CG ASP A 15 12.308 1.538 -13.747 1.00 51.54 C ATOM 183 OD1 ASP A 15 12.151 1.237 -14.949 1.00 31.02 O ATOM 184 OD2 ASP A 15 11.637 2.419 -13.169 1.00 31.35 O ATOM 0 H ASP A 15 13.002 -0.914 -14.690 1.00 34.41 H new ATOM 0 HA ASP A 15 13.749 -1.112 -12.049 1.00 11.11 H new ATOM 0 HB2 ASP A 15 13.569 1.344 -12.030 1.00 64.22 H new ATOM 0 HB3 ASP A 15 14.296 0.780 -13.521 1.00 64.22 H new ATOM 189 N GLN A 16 11.792 -1.190 -10.555 1.00 41.41 N ATOM 190 CA GLN A 16 10.661 -1.243 -9.636 1.00 63.51 C ATOM 191 C GLN A 16 11.093 -0.880 -8.219 1.00 44.54 C ATOM 192 O GLN A 16 11.253 -1.751 -7.364 1.00 61.25 O ATOM 193 CB GLN A 16 10.033 -2.638 -9.648 1.00 23.20 C ATOM 194 CG GLN A 16 9.569 -3.085 -11.025 1.00 1.31 C ATOM 195 CD GLN A 16 8.121 -3.532 -11.036 1.00 33.32 C ATOM 196 OE1 GLN A 16 7.751 -4.495 -10.362 1.00 42.42 O ATOM 197 NE2 GLN A 16 7.291 -2.835 -11.803 1.00 10.33 N ATOM 0 H GLN A 16 12.645 -1.624 -10.201 1.00 41.41 H new ATOM 0 HA GLN A 16 9.921 -0.515 -9.968 1.00 63.51 H new ATOM 0 HB2 GLN A 16 10.758 -3.357 -9.267 1.00 23.20 H new ATOM 0 HB3 GLN A 16 9.183 -2.651 -8.966 1.00 23.20 H new ATOM 0 HG2 GLN A 16 9.697 -2.265 -11.731 1.00 1.31 H new ATOM 0 HG3 GLN A 16 10.201 -3.904 -11.369 1.00 1.31 H new ATOM 0 HE21 GLN A 16 7.640 -2.044 -12.345 1.00 10.33 H new ATOM 0 HE22 GLN A 16 6.305 -3.090 -11.850 1.00 10.33 H new ATOM 206 N CYS A 17 11.282 0.413 -7.977 1.00 54.44 N ATOM 207 CA CYS A 17 11.696 0.894 -6.665 1.00 21.22 C ATOM 208 C CYS A 17 10.629 1.797 -6.054 1.00 53.32 C ATOM 209 O CYS A 17 9.540 1.953 -6.608 1.00 71.31 O ATOM 210 CB CYS A 17 13.021 1.651 -6.771 1.00 2.21 C ATOM 211 SG CYS A 17 14.440 0.606 -7.232 1.00 41.14 S ATOM 0 H CYS A 17 11.155 1.147 -8.674 1.00 54.44 H new ATOM 0 HA CYS A 17 11.830 0.029 -6.015 1.00 21.22 H new ATOM 0 HB2 CYS A 17 12.915 2.446 -7.509 1.00 2.21 H new ATOM 0 HB3 CYS A 17 13.231 2.129 -5.814 1.00 2.21 H new ATOM 216 N CYS A 18 10.948 2.391 -4.909 1.00 45.24 N ATOM 217 CA CYS A 18 10.019 3.279 -4.222 1.00 53.21 C ATOM 218 C CYS A 18 10.122 4.701 -4.766 1.00 2.34 C ATOM 219 O CYS A 18 11.057 5.435 -4.444 1.00 21.24 O ATOM 220 CB CYS A 18 10.295 3.275 -2.717 1.00 52.23 C ATOM 221 SG CYS A 18 9.970 1.677 -1.906 1.00 15.01 S ATOM 0 H CYS A 18 11.844 2.273 -4.437 1.00 45.24 H new ATOM 0 HA CYS A 18 9.008 2.914 -4.400 1.00 53.21 H new ATOM 0 HB2 CYS A 18 11.336 3.551 -2.549 1.00 52.23 H new ATOM 0 HB3 CYS A 18 9.682 4.042 -2.244 1.00 52.23 H new ATOM 226 N LYS A 19 9.155 5.085 -5.592 1.00 31.21 N ATOM 227 CA LYS A 19 9.134 6.419 -6.180 1.00 64.20 C ATOM 228 C LYS A 19 8.933 7.484 -5.107 1.00 21.45 C ATOM 229 O LYS A 19 9.498 8.574 -5.187 1.00 53.43 O ATOM 230 CB LYS A 19 8.024 6.520 -7.228 1.00 33.40 C ATOM 231 CG LYS A 19 8.058 5.406 -8.260 1.00 21.42 C ATOM 232 CD LYS A 19 9.319 5.468 -9.106 1.00 31.44 C ATOM 233 CE LYS A 19 9.331 6.699 -9.998 1.00 5.31 C ATOM 234 NZ LYS A 19 10.460 6.669 -10.970 1.00 34.15 N ATOM 0 H LYS A 19 8.374 4.490 -5.870 1.00 31.21 H new ATOM 0 HA LYS A 19 10.097 6.591 -6.662 1.00 64.20 H new ATOM 0 HB2 LYS A 19 7.058 6.507 -6.724 1.00 33.40 H new ATOM 0 HB3 LYS A 19 8.104 7.480 -7.739 1.00 33.40 H new ATOM 0 HG2 LYS A 19 8.004 4.441 -7.757 1.00 21.42 H new ATOM 0 HG3 LYS A 19 7.182 5.479 -8.905 1.00 21.42 H new ATOM 0 HD2 LYS A 19 10.194 5.480 -8.456 1.00 31.44 H new ATOM 0 HD3 LYS A 19 9.390 4.571 -9.721 1.00 31.44 H new ATOM 0 HE2 LYS A 19 8.387 6.764 -10.539 1.00 5.31 H new ATOM 0 HE3 LYS A 19 9.407 7.594 -9.381 1.00 5.31 H new ATOM 0 HZ1 LYS A 19 10.433 7.525 -11.560 1.00 34.15 H new ATOM 0 HZ2 LYS A 19 11.362 6.632 -10.453 1.00 34.15 H new ATOM 0 HZ3 LYS A 19 10.374 5.828 -11.576 1.00 34.15 H new ATOM 248 N SER A 20 8.126 7.159 -4.101 1.00 42.04 N ATOM 249 CA SER A 20 7.849 8.089 -3.013 1.00 31.11 C ATOM 250 C SER A 20 9.143 8.547 -2.347 1.00 51.20 C ATOM 251 O SER A 20 9.257 9.692 -1.908 1.00 74.51 O ATOM 252 CB SER A 20 6.932 7.435 -1.977 1.00 5.43 C ATOM 253 OG SER A 20 7.628 6.454 -1.228 1.00 31.05 O ATOM 0 H SER A 20 7.653 6.259 -4.017 1.00 42.04 H new ATOM 0 HA SER A 20 7.348 8.962 -3.432 1.00 31.11 H new ATOM 0 HB2 SER A 20 6.535 8.196 -1.305 1.00 5.43 H new ATOM 0 HB3 SER A 20 6.079 6.977 -2.479 1.00 5.43 H new ATOM 0 HG SER A 20 7.021 6.052 -0.572 1.00 31.05 H new ATOM 259 N SER A 21 10.116 7.645 -2.276 1.00 22.32 N ATOM 260 CA SER A 21 11.402 7.954 -1.660 1.00 75.44 C ATOM 261 C SER A 21 12.418 8.386 -2.713 1.00 13.42 C ATOM 262 O SER A 21 13.625 8.359 -2.474 1.00 60.22 O ATOM 263 CB SER A 21 11.929 6.739 -0.895 1.00 23.14 C ATOM 264 OG SER A 21 10.886 6.087 -0.191 1.00 2.12 O ATOM 0 H SER A 21 10.039 6.694 -2.637 1.00 22.32 H new ATOM 0 HA SER A 21 11.255 8.778 -0.962 1.00 75.44 H new ATOM 0 HB2 SER A 21 12.394 6.041 -1.591 1.00 23.14 H new ATOM 0 HB3 SER A 21 12.703 7.054 -0.195 1.00 23.14 H new ATOM 0 HG SER A 21 11.249 5.313 0.288 1.00 2.12 H new ATOM 270 N SER A 22 11.919 8.786 -3.878 1.00 64.15 N ATOM 271 CA SER A 22 12.783 9.221 -4.970 1.00 53.21 C ATOM 272 C SER A 22 13.851 8.173 -5.269 1.00 14.41 C ATOM 273 O SER A 22 15.048 8.439 -5.152 1.00 33.13 O ATOM 274 CB SER A 22 13.445 10.556 -4.624 1.00 12.25 C ATOM 275 OG SER A 22 12.584 11.643 -4.916 1.00 43.44 O ATOM 0 H SER A 22 10.922 8.818 -4.090 1.00 64.15 H new ATOM 0 HA SER A 22 12.166 9.349 -5.859 1.00 53.21 H new ATOM 0 HB2 SER A 22 13.709 10.571 -3.567 1.00 12.25 H new ATOM 0 HB3 SER A 22 14.373 10.662 -5.186 1.00 12.25 H new ATOM 0 HG SER A 22 13.030 12.485 -4.684 1.00 43.44 H new ATOM 281 N LEU A 23 13.409 6.982 -5.656 1.00 21.34 N ATOM 282 CA LEU A 23 14.326 5.892 -5.972 1.00 72.11 C ATOM 283 C LEU A 23 14.193 5.475 -7.433 1.00 53.34 C ATOM 284 O LEU A 23 13.196 5.780 -8.088 1.00 30.14 O ATOM 285 CB LEU A 23 14.057 4.692 -5.062 1.00 10.55 C ATOM 286 CG LEU A 23 14.353 4.898 -3.575 1.00 54.35 C ATOM 287 CD1 LEU A 23 14.076 3.623 -2.794 1.00 53.15 C ATOM 288 CD2 LEU A 23 15.793 5.346 -3.375 1.00 40.43 C ATOM 0 H LEU A 23 12.422 6.746 -5.759 1.00 21.34 H new ATOM 0 HA LEU A 23 15.343 6.247 -5.805 1.00 72.11 H new ATOM 0 HB2 LEU A 23 13.010 4.409 -5.168 1.00 10.55 H new ATOM 0 HB3 LEU A 23 14.652 3.851 -5.417 1.00 10.55 H new ATOM 0 HG LEU A 23 13.695 5.681 -3.198 1.00 54.35 H new ATOM 0 HD11 LEU A 23 14.292 3.789 -1.739 1.00 53.15 H new ATOM 0 HD12 LEU A 23 13.028 3.345 -2.911 1.00 53.15 H new ATOM 0 HD13 LEU A 23 14.709 2.820 -3.172 1.00 53.15 H new ATOM 0 HD21 LEU A 23 15.986 5.488 -2.312 1.00 40.43 H new ATOM 0 HD22 LEU A 23 16.468 4.586 -3.768 1.00 40.43 H new ATOM 0 HD23 LEU A 23 15.958 6.286 -3.902 1.00 40.43 H new ATOM 300 N ALA A 24 15.203 4.775 -7.938 1.00 44.41 N ATOM 301 CA ALA A 24 15.197 4.313 -9.320 1.00 44.25 C ATOM 302 C ALA A 24 16.251 3.234 -9.543 1.00 21.51 C ATOM 303 O ALA A 24 17.279 3.206 -8.865 1.00 70.34 O ATOM 304 CB ALA A 24 15.427 5.481 -10.268 1.00 62.14 C ATOM 0 H ALA A 24 16.036 4.515 -7.410 1.00 44.41 H new ATOM 0 HA ALA A 24 14.219 3.878 -9.527 1.00 44.25 H new ATOM 0 HB1 ALA A 24 15.420 5.121 -11.297 1.00 62.14 H new ATOM 0 HB2 ALA A 24 14.635 6.218 -10.136 1.00 62.14 H new ATOM 0 HB3 ALA A 24 16.391 5.941 -10.051 1.00 62.14 H new ATOM 310 N CYS A 25 15.989 2.345 -10.496 1.00 1.13 N ATOM 311 CA CYS A 25 16.914 1.262 -10.807 1.00 71.02 C ATOM 312 C CYS A 25 17.823 1.641 -11.972 1.00 44.43 C ATOM 313 O CYS A 25 17.361 1.837 -13.096 1.00 52.12 O ATOM 314 CB CYS A 25 16.142 -0.015 -11.144 1.00 34.24 C ATOM 315 SG CYS A 25 17.058 -1.551 -10.797 1.00 71.23 S ATOM 0 H CYS A 25 15.143 2.354 -11.066 1.00 1.13 H new ATOM 0 HA CYS A 25 17.534 1.083 -9.928 1.00 71.02 H new ATOM 0 HB2 CYS A 25 15.211 -0.024 -10.578 1.00 34.24 H new ATOM 0 HB3 CYS A 25 15.873 0.004 -12.200 1.00 34.24 H new ATOM 320 N SER A 26 19.119 1.743 -11.695 1.00 44.24 N ATOM 321 CA SER A 26 20.094 2.102 -12.719 1.00 11.50 C ATOM 322 C SER A 26 20.774 0.858 -13.283 1.00 15.24 C ATOM 323 O SER A 26 21.080 -0.083 -12.550 1.00 5.34 O ATOM 324 CB SER A 26 21.144 3.054 -12.142 1.00 31.20 C ATOM 325 OG SER A 26 21.419 4.115 -13.040 1.00 11.01 O ATOM 0 H SER A 26 19.518 1.582 -10.770 1.00 44.24 H new ATOM 0 HA SER A 26 19.565 2.604 -13.529 1.00 11.50 H new ATOM 0 HB2 SER A 26 20.790 3.459 -11.194 1.00 31.20 H new ATOM 0 HB3 SER A 26 22.061 2.504 -11.932 1.00 31.20 H new ATOM 0 HG SER A 26 22.380 4.305 -13.037 1.00 11.01 H new ATOM 331 N THR A 27 21.006 0.860 -14.592 1.00 2.25 N ATOM 332 CA THR A 27 21.648 -0.267 -15.255 1.00 60.34 C ATOM 333 C THR A 27 23.155 -0.257 -15.024 1.00 13.14 C ATOM 334 O THR A 27 23.875 -1.127 -15.514 1.00 10.22 O ATOM 335 CB THR A 27 21.373 -0.257 -16.771 1.00 62.50 C ATOM 336 OG1 THR A 27 20.007 0.094 -17.019 1.00 23.30 O ATOM 337 CG2 THR A 27 21.672 -1.617 -17.384 1.00 33.40 C ATOM 0 H THR A 27 20.759 1.630 -15.214 1.00 2.25 H new ATOM 0 HA THR A 27 21.223 -1.172 -14.821 1.00 60.34 H new ATOM 0 HB THR A 27 22.027 0.483 -17.232 1.00 62.50 H new ATOM 0 HG1 THR A 27 19.841 0.100 -17.985 1.00 23.30 H new ATOM 0 HG21 THR A 27 21.470 -1.586 -18.455 1.00 33.40 H new ATOM 0 HG22 THR A 27 22.720 -1.868 -17.219 1.00 33.40 H new ATOM 0 HG23 THR A 27 21.040 -2.373 -16.918 1.00 33.40 H new ATOM 345 N LYS A 28 23.626 0.733 -14.273 1.00 22.33 N ATOM 346 CA LYS A 28 25.048 0.856 -13.973 1.00 52.23 C ATOM 347 C LYS A 28 25.394 0.140 -12.672 1.00 11.23 C ATOM 348 O LYS A 28 26.336 -0.652 -12.618 1.00 55.35 O ATOM 349 CB LYS A 28 25.444 2.331 -13.877 1.00 54.32 C ATOM 350 CG LYS A 28 26.197 2.839 -15.094 1.00 42.50 C ATOM 351 CD LYS A 28 25.953 4.322 -15.322 1.00 61.33 C ATOM 352 CE LYS A 28 26.721 5.173 -14.323 1.00 40.41 C ATOM 353 NZ LYS A 28 28.163 5.283 -14.680 1.00 54.23 N ATOM 0 H LYS A 28 23.044 1.462 -13.861 1.00 22.33 H new ATOM 0 HA LYS A 28 25.606 0.388 -14.784 1.00 52.23 H new ATOM 0 HB2 LYS A 28 24.545 2.932 -13.740 1.00 54.32 H new ATOM 0 HB3 LYS A 28 26.062 2.476 -12.991 1.00 54.32 H new ATOM 0 HG2 LYS A 28 27.264 2.661 -14.963 1.00 42.50 H new ATOM 0 HG3 LYS A 28 25.886 2.278 -15.976 1.00 42.50 H new ATOM 0 HD2 LYS A 28 26.252 4.589 -16.335 1.00 61.33 H new ATOM 0 HD3 LYS A 28 24.887 4.534 -15.238 1.00 61.33 H new ATOM 0 HE2 LYS A 28 26.281 6.169 -14.280 1.00 40.41 H new ATOM 0 HE3 LYS A 28 26.625 4.739 -13.328 1.00 40.41 H new ATOM 0 HZ1 LYS A 28 28.645 5.898 -13.994 1.00 54.23 H new ATOM 0 HZ2 LYS A 28 28.598 4.338 -14.663 1.00 54.23 H new ATOM 0 HZ3 LYS A 28 28.255 5.689 -15.633 1.00 54.23 H new ATOM 367 N HIS A 29 24.626 0.422 -11.624 1.00 50.40 N ATOM 368 CA HIS A 29 24.851 -0.197 -10.323 1.00 14.24 C ATOM 369 C HIS A 29 23.825 -1.296 -10.060 1.00 4.35 C ATOM 370 O HIS A 29 24.040 -2.172 -9.222 1.00 70.42 O ATOM 371 CB HIS A 29 24.783 0.855 -9.215 1.00 43.32 C ATOM 372 CG HIS A 29 25.933 1.815 -9.230 1.00 41.02 C ATOM 373 ND1 HIS A 29 27.212 1.452 -9.597 1.00 53.04 N ATOM 374 CD2 HIS A 29 25.991 3.132 -8.922 1.00 62.30 C ATOM 375 CE1 HIS A 29 28.007 2.503 -9.513 1.00 11.52 C ATOM 376 NE2 HIS A 29 27.291 3.536 -9.106 1.00 33.15 N ATOM 0 H HIS A 29 23.843 1.075 -11.651 1.00 50.40 H new ATOM 0 HA HIS A 29 25.845 -0.645 -10.328 1.00 14.24 H new ATOM 0 HB2 HIS A 29 23.852 1.414 -9.312 1.00 43.32 H new ATOM 0 HB3 HIS A 29 24.753 0.352 -8.249 1.00 43.32 H new ATOM 0 HD2 HIS A 29 25.169 3.750 -8.593 1.00 62.30 H new ATOM 0 HE1 HIS A 29 29.063 2.516 -9.739 1.00 11.52 H new ATOM 0 HE2 HIS A 29 27.646 4.480 -8.953 1.00 33.15 H new ATOM 384 N LYS A 30 22.710 -1.242 -10.779 1.00 51.05 N ATOM 385 CA LYS A 30 21.651 -2.232 -10.625 1.00 73.12 C ATOM 386 C LYS A 30 21.109 -2.232 -9.199 1.00 42.13 C ATOM 387 O LYS A 30 21.211 -3.231 -8.487 1.00 13.31 O ATOM 388 CB LYS A 30 22.171 -3.626 -10.984 1.00 40.23 C ATOM 389 CG LYS A 30 22.077 -3.947 -12.466 1.00 23.02 C ATOM 390 CD LYS A 30 21.952 -5.442 -12.705 1.00 73.34 C ATOM 391 CE LYS A 30 23.263 -6.163 -12.432 1.00 40.30 C ATOM 392 NZ LYS A 30 24.158 -6.156 -13.622 1.00 41.01 N ATOM 0 H LYS A 30 22.516 -0.522 -11.475 1.00 51.05 H new ATOM 0 HA LYS A 30 20.840 -1.968 -11.303 1.00 73.12 H new ATOM 0 HB2 LYS A 30 23.211 -3.709 -10.668 1.00 40.23 H new ATOM 0 HB3 LYS A 30 21.607 -4.371 -10.423 1.00 40.23 H new ATOM 0 HG2 LYS A 30 21.216 -3.435 -12.896 1.00 23.02 H new ATOM 0 HG3 LYS A 30 22.961 -3.568 -12.978 1.00 23.02 H new ATOM 0 HD2 LYS A 30 21.171 -5.850 -12.063 1.00 73.34 H new ATOM 0 HD3 LYS A 30 21.644 -5.622 -13.735 1.00 73.34 H new ATOM 0 HE2 LYS A 30 23.771 -5.688 -11.593 1.00 40.30 H new ATOM 0 HE3 LYS A 30 23.057 -7.192 -12.138 1.00 40.30 H new ATOM 0 HZ1 LYS A 30 25.041 -6.657 -13.395 1.00 41.01 H new ATOM 0 HZ2 LYS A 30 23.684 -6.632 -14.416 1.00 41.01 H new ATOM 0 HZ3 LYS A 30 24.375 -5.174 -13.887 1.00 41.01 H new ATOM 406 N TRP A 31 20.533 -1.107 -8.790 1.00 64.25 N ATOM 407 CA TRP A 31 19.974 -0.979 -7.449 1.00 44.44 C ATOM 408 C TRP A 31 19.211 0.333 -7.301 1.00 72.34 C ATOM 409 O TRP A 31 19.449 1.288 -8.041 1.00 54.01 O ATOM 410 CB TRP A 31 21.086 -1.057 -6.402 1.00 11.04 C ATOM 411 CG TRP A 31 21.888 0.204 -6.292 1.00 4.14 C ATOM 412 CD1 TRP A 31 22.258 1.032 -7.313 1.00 24.21 C ATOM 413 CD2 TRP A 31 22.421 0.779 -5.093 1.00 62.05 C ATOM 414 NE1 TRP A 31 22.989 2.087 -6.822 1.00 23.32 N ATOM 415 CE2 TRP A 31 23.102 1.955 -5.463 1.00 44.31 C ATOM 416 CE3 TRP A 31 22.387 0.416 -3.744 1.00 64.15 C ATOM 417 CZ2 TRP A 31 23.744 2.767 -4.532 1.00 11.43 C ATOM 418 CZ3 TRP A 31 23.025 1.223 -2.821 1.00 72.14 C ATOM 419 CH2 TRP A 31 23.695 2.388 -3.218 1.00 31.11 C ATOM 0 H TRP A 31 20.441 -0.271 -9.367 1.00 64.25 H new ATOM 0 HA TRP A 31 19.278 -1.803 -7.292 1.00 44.44 H new ATOM 0 HB2 TRP A 31 20.646 -1.285 -5.431 1.00 11.04 H new ATOM 0 HB3 TRP A 31 21.753 -1.882 -6.651 1.00 11.04 H new ATOM 0 HD1 TRP A 31 22.012 0.880 -8.354 1.00 24.21 H new ATOM 0 HE1 TRP A 31 23.383 2.845 -7.379 1.00 23.32 H new ATOM 0 HE3 TRP A 31 21.871 -0.479 -3.428 1.00 64.15 H new ATOM 0 HZ2 TRP A 31 24.262 3.664 -4.836 1.00 11.43 H new ATOM 0 HZ3 TRP A 31 23.007 0.951 -1.776 1.00 72.14 H new ATOM 0 HH2 TRP A 31 24.182 2.999 -2.472 1.00 31.11 H new ATOM 430 N CYS A 32 18.293 0.373 -6.342 1.00 33.34 N ATOM 431 CA CYS A 32 17.494 1.567 -6.097 1.00 15.25 C ATOM 432 C CYS A 32 18.371 2.719 -5.614 1.00 34.24 C ATOM 433 O CYS A 32 18.630 2.858 -4.418 1.00 54.10 O ATOM 434 CB CYS A 32 16.404 1.274 -5.064 1.00 34.14 C ATOM 435 SG CYS A 32 15.277 -0.078 -5.535 1.00 24.34 S ATOM 0 H CYS A 32 18.084 -0.409 -5.721 1.00 33.34 H new ATOM 0 HA CYS A 32 17.026 1.859 -7.037 1.00 15.25 H new ATOM 0 HB2 CYS A 32 16.876 1.024 -4.114 1.00 34.14 H new ATOM 0 HB3 CYS A 32 15.820 2.180 -4.901 1.00 34.14 H new ATOM 440 N LYS A 33 18.825 3.543 -6.552 1.00 21.42 N ATOM 441 CA LYS A 33 19.672 4.684 -6.224 1.00 73.42 C ATOM 442 C LYS A 33 18.853 5.969 -6.166 1.00 3.40 C ATOM 443 O LYS A 33 17.913 6.154 -6.939 1.00 63.15 O ATOM 444 CB LYS A 33 20.793 4.826 -7.256 1.00 54.23 C ATOM 445 CG LYS A 33 20.300 4.826 -8.693 1.00 61.41 C ATOM 446 CD LYS A 33 21.145 5.732 -9.573 1.00 21.05 C ATOM 447 CE LYS A 33 22.562 5.200 -9.722 1.00 61.03 C ATOM 448 NZ LYS A 33 23.308 5.905 -10.801 1.00 61.23 N ATOM 0 H LYS A 33 18.621 3.442 -7.546 1.00 21.42 H new ATOM 0 HA LYS A 33 20.111 4.509 -5.242 1.00 73.42 H new ATOM 0 HB2 LYS A 33 21.335 5.753 -7.067 1.00 54.23 H new ATOM 0 HB3 LYS A 33 21.503 4.009 -7.124 1.00 54.23 H new ATOM 0 HG2 LYS A 33 20.324 3.810 -9.087 1.00 61.41 H new ATOM 0 HG3 LYS A 33 19.261 5.155 -8.722 1.00 61.41 H new ATOM 0 HD2 LYS A 33 20.683 5.820 -10.556 1.00 21.05 H new ATOM 0 HD3 LYS A 33 21.174 6.734 -9.144 1.00 21.05 H new ATOM 0 HE2 LYS A 33 23.094 5.315 -8.778 1.00 61.03 H new ATOM 0 HE3 LYS A 33 22.528 4.133 -9.941 1.00 61.03 H new ATOM 0 HZ1 LYS A 33 24.269 5.514 -10.871 1.00 61.23 H new ATOM 0 HZ2 LYS A 33 22.814 5.775 -11.707 1.00 61.23 H new ATOM 0 HZ3 LYS A 33 23.363 6.920 -10.579 1.00 61.23 H new ATOM 462 N TYR A 34 19.217 6.856 -5.246 1.00 23.31 N ATOM 463 CA TYR A 34 18.516 8.124 -5.087 1.00 11.03 C ATOM 464 C TYR A 34 18.559 8.936 -6.378 1.00 13.04 C ATOM 465 O TYR A 34 19.626 9.159 -6.948 1.00 21.42 O ATOM 466 CB TYR A 34 19.132 8.931 -3.943 1.00 13.24 C ATOM 467 CG TYR A 34 18.723 8.446 -2.570 1.00 71.54 C ATOM 468 CD1 TYR A 34 17.383 8.340 -2.220 1.00 13.25 C ATOM 469 CD2 TYR A 34 19.677 8.091 -1.625 1.00 24.12 C ATOM 470 CE1 TYR A 34 17.005 7.898 -0.967 1.00 30.33 C ATOM 471 CE2 TYR A 34 19.309 7.646 -0.370 1.00 32.11 C ATOM 472 CZ TYR A 34 17.971 7.552 -0.046 1.00 25.55 C ATOM 473 OH TYR A 34 17.599 7.109 1.203 1.00 22.11 O ATOM 0 H TYR A 34 19.994 6.720 -4.599 1.00 23.31 H new ATOM 0 HA TYR A 34 17.474 7.907 -4.850 1.00 11.03 H new ATOM 0 HB2 TYR A 34 20.218 8.890 -4.025 1.00 13.24 H new ATOM 0 HB3 TYR A 34 18.843 9.977 -4.051 1.00 13.24 H new ATOM 0 HD1 TYR A 34 16.624 8.608 -2.940 1.00 13.25 H new ATOM 0 HD2 TYR A 34 20.725 8.164 -1.876 1.00 24.12 H new ATOM 0 HE1 TYR A 34 15.959 7.824 -0.710 1.00 30.33 H new ATOM 0 HE2 TYR A 34 20.064 7.373 0.353 1.00 32.11 H new ATOM 0 HH TYR A 34 18.400 6.906 1.730 1.00 22.11 H new ATOM 483 N GLU A 35 17.389 9.376 -6.831 1.00 62.04 N ATOM 484 CA GLU A 35 17.293 10.163 -8.055 1.00 14.31 C ATOM 485 C GLU A 35 17.224 11.655 -7.738 1.00 64.44 C ATOM 486 O GLU A 35 16.212 12.150 -7.241 1.00 22.42 O ATOM 487 CB GLU A 35 16.061 9.745 -8.861 1.00 42.11 C ATOM 488 CG GLU A 35 16.377 8.799 -10.008 1.00 13.24 C ATOM 489 CD GLU A 35 16.505 9.517 -11.337 1.00 70.23 C ATOM 490 OE1 GLU A 35 17.550 10.160 -11.567 1.00 24.23 O ATOM 491 OE2 GLU A 35 15.559 9.435 -12.149 1.00 21.43 O ATOM 0 H GLU A 35 16.496 9.201 -6.370 1.00 62.04 H new ATOM 0 HA GLU A 35 18.188 9.975 -8.649 1.00 14.31 H new ATOM 0 HB2 GLU A 35 15.345 9.266 -8.193 1.00 42.11 H new ATOM 0 HB3 GLU A 35 15.578 10.637 -9.259 1.00 42.11 H new ATOM 0 HG2 GLU A 35 17.306 8.271 -9.793 1.00 13.24 H new ATOM 0 HG3 GLU A 35 15.592 8.046 -10.080 1.00 13.24 H new ATOM 498 N LEU A 36 18.308 12.365 -8.030 1.00 3.24 N ATOM 499 CA LEU A 36 18.373 13.800 -7.776 1.00 42.31 C ATOM 500 C LEU A 36 18.836 14.553 -9.020 1.00 23.44 C ATOM 501 O LEU A 36 18.644 15.763 -9.133 1.00 0.02 O ATOM 502 CB LEU A 36 19.319 14.090 -6.609 1.00 61.23 C ATOM 503 CG LEU A 36 20.608 13.267 -6.570 1.00 14.42 C ATOM 504 CD1 LEU A 36 21.514 13.639 -7.733 1.00 72.12 C ATOM 505 CD2 LEU A 36 21.328 13.468 -5.245 1.00 3.43 C ATOM 0 H LEU A 36 19.153 11.971 -8.443 1.00 3.24 H new ATOM 0 HA LEU A 36 17.371 14.143 -7.517 1.00 42.31 H new ATOM 0 HB2 LEU A 36 19.587 15.146 -6.638 1.00 61.23 H new ATOM 0 HB3 LEU A 36 18.777 13.924 -5.678 1.00 61.23 H new ATOM 0 HG LEU A 36 20.347 12.213 -6.663 1.00 14.42 H new ATOM 0 HD11 LEU A 36 22.426 13.044 -7.689 1.00 72.12 H new ATOM 0 HD12 LEU A 36 20.998 13.443 -8.673 1.00 72.12 H new ATOM 0 HD13 LEU A 36 21.768 14.697 -7.672 1.00 72.12 H new ATOM 0 HD21 LEU A 36 22.243 12.875 -5.234 1.00 3.43 H new ATOM 0 HD22 LEU A 36 21.577 14.522 -5.123 1.00 3.43 H new ATOM 0 HD23 LEU A 36 20.681 13.151 -4.427 1.00 3.43 H new TER 517 LEU A 36