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 106:sc= 0.346 USER MOD Set 1.2: A 33 LYS NZ :NH3+ -177:sc= 0.303 (180deg=-0.0875) USER MOD Set 2.1: A 14 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Set 2.2: A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.00949 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -2.72! C(o=-2.7!,f=-2.4!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0275 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00047 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0316 X(o=-0.032,f=-0.14) 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 1.934 0.445 -0.086 1.00 55.32 N ATOM 2 CA GLY A 1 2.006 -0.233 -1.367 1.00 32.20 C ATOM 3 C GLY A 1 3.054 -1.328 -1.385 1.00 3.31 C ATOM 4 O GLY A 1 3.229 -2.045 -0.400 1.00 63.05 O ATOM 0 H1 GLY A 1 0.938 0.558 0.192 1.00 55.32 H new ATOM 0 H2 GLY A 1 2.432 -0.117 0.633 1.00 55.32 H new ATOM 0 H3 GLY A 1 2.380 1.381 -0.163 1.00 55.32 H new ATOM 0 HA2 GLY A 1 1.032 -0.662 -1.603 1.00 32.20 H new ATOM 0 HA3 GLY A 1 2.231 0.494 -2.147 1.00 32.20 H new ATOM 8 N ALA A 2 3.753 -1.458 -2.508 1.00 53.52 N ATOM 9 CA ALA A 2 4.789 -2.472 -2.650 1.00 64.31 C ATOM 10 C ALA A 2 5.889 -2.005 -3.598 1.00 0.14 C ATOM 11 O ALA A 2 5.698 -1.960 -4.813 1.00 72.02 O ATOM 12 CB ALA A 2 4.185 -3.779 -3.143 1.00 42.33 C ATOM 0 H ALA A 2 3.620 -0.873 -3.333 1.00 53.52 H new ATOM 0 HA ALA A 2 5.236 -2.638 -1.670 1.00 64.31 H new ATOM 0 HB1 ALA A 2 4.971 -4.528 -3.244 1.00 42.33 H new ATOM 0 HB2 ALA A 2 3.441 -4.129 -2.427 1.00 42.33 H new ATOM 0 HB3 ALA A 2 3.710 -3.618 -4.111 1.00 42.33 H new ATOM 18 N CYS A 3 7.041 -1.657 -3.034 1.00 12.42 N ATOM 19 CA CYS A 3 8.171 -1.191 -3.828 1.00 25.13 C ATOM 20 C CYS A 3 9.493 -1.604 -3.186 1.00 42.22 C ATOM 21 O CYS A 3 9.513 -2.318 -2.183 1.00 12.34 O ATOM 22 CB CYS A 3 8.120 0.330 -3.983 1.00 45.02 C ATOM 23 SG CYS A 3 7.975 1.234 -2.408 1.00 73.04 S ATOM 0 H CYS A 3 7.216 -1.689 -2.030 1.00 12.42 H new ATOM 0 HA CYS A 3 8.106 -1.652 -4.814 1.00 25.13 H new ATOM 0 HB2 CYS A 3 9.021 0.662 -4.499 1.00 45.02 H new ATOM 0 HB3 CYS A 3 7.274 0.591 -4.619 1.00 45.02 H new ATOM 28 N LEU A 4 10.596 -1.150 -3.772 1.00 13.31 N ATOM 29 CA LEU A 4 11.923 -1.471 -3.258 1.00 53.31 C ATOM 30 C LEU A 4 12.619 -0.221 -2.730 1.00 43.31 C ATOM 31 O LEU A 4 12.904 0.709 -3.484 1.00 64.30 O ATOM 32 CB LEU A 4 12.772 -2.118 -4.353 1.00 44.12 C ATOM 33 CG LEU A 4 12.207 -3.395 -4.975 1.00 75.01 C ATOM 34 CD1 LEU A 4 12.991 -3.775 -6.222 1.00 14.54 C ATOM 35 CD2 LEU A 4 12.224 -4.533 -3.965 1.00 33.01 C ATOM 0 H LEU A 4 10.597 -0.559 -4.603 1.00 13.31 H new ATOM 0 HA LEU A 4 11.807 -2.175 -2.434 1.00 53.31 H new ATOM 0 HB2 LEU A 4 12.923 -1.387 -5.147 1.00 44.12 H new ATOM 0 HB3 LEU A 4 13.754 -2.344 -3.937 1.00 44.12 H new ATOM 0 HG LEU A 4 11.173 -3.208 -5.264 1.00 75.01 H new ATOM 0 HD11 LEU A 4 12.574 -4.686 -6.650 1.00 14.54 H new ATOM 0 HD12 LEU A 4 12.927 -2.968 -6.952 1.00 14.54 H new ATOM 0 HD13 LEU A 4 14.035 -3.943 -5.958 1.00 14.54 H new ATOM 0 HD21 LEU A 4 11.818 -5.434 -4.425 1.00 33.01 H new ATOM 0 HD22 LEU A 4 13.249 -4.719 -3.644 1.00 33.01 H new ATOM 0 HD23 LEU A 4 11.617 -4.262 -3.101 1.00 33.01 H new ATOM 47 N GLY A 5 12.893 -0.206 -1.429 1.00 34.41 N ATOM 48 CA GLY A 5 13.556 0.933 -0.823 1.00 14.34 C ATOM 49 C GLY A 5 14.987 1.091 -1.296 1.00 20.51 C ATOM 50 O GLY A 5 15.458 0.325 -2.137 1.00 40.03 O ATOM 0 H GLY A 5 12.667 -0.963 -0.784 1.00 34.41 H new ATOM 0 HA2 GLY A 5 12.998 1.840 -1.055 1.00 14.34 H new ATOM 0 HA3 GLY A 5 13.545 0.821 0.261 1.00 14.34 H new ATOM 54 N PHE A 6 15.681 2.087 -0.756 1.00 21.23 N ATOM 55 CA PHE A 6 17.067 2.344 -1.130 1.00 32.01 C ATOM 56 C PHE A 6 17.975 1.210 -0.664 1.00 64.12 C ATOM 57 O PHE A 6 17.884 0.754 0.475 1.00 53.21 O ATOM 58 CB PHE A 6 17.541 3.670 -0.532 1.00 51.44 C ATOM 59 CG PHE A 6 18.961 4.012 -0.882 1.00 40.03 C ATOM 60 CD1 PHE A 6 20.013 3.505 -0.137 1.00 63.44 C ATOM 61 CD2 PHE A 6 19.244 4.841 -1.956 1.00 14.11 C ATOM 62 CE1 PHE A 6 21.321 3.817 -0.457 1.00 24.40 C ATOM 63 CE2 PHE A 6 20.550 5.156 -2.280 1.00 54.35 C ATOM 64 CZ PHE A 6 21.590 4.644 -1.529 1.00 54.54 C ATOM 0 H PHE A 6 15.307 2.730 -0.058 1.00 21.23 H new ATOM 0 HA PHE A 6 17.119 2.404 -2.217 1.00 32.01 H new ATOM 0 HB2 PHE A 6 16.887 4.470 -0.879 1.00 51.44 H new ATOM 0 HB3 PHE A 6 17.443 3.626 0.553 1.00 51.44 H new ATOM 0 HD1 PHE A 6 19.809 2.858 0.704 1.00 63.44 H new ATOM 0 HD2 PHE A 6 18.435 5.245 -2.546 1.00 14.11 H new ATOM 0 HE1 PHE A 6 22.132 3.414 0.131 1.00 24.40 H new ATOM 0 HE2 PHE A 6 20.757 5.802 -3.120 1.00 54.35 H new ATOM 0 HZ PHE A 6 22.611 4.890 -1.780 1.00 54.54 H new ATOM 74 N GLY A 7 18.853 0.758 -1.555 1.00 52.44 N ATOM 75 CA GLY A 7 19.765 -0.319 -1.218 1.00 41.33 C ATOM 76 C GLY A 7 19.171 -1.687 -1.486 1.00 74.13 C ATOM 77 O GLY A 7 19.661 -2.696 -0.979 1.00 64.03 O ATOM 0 H GLY A 7 18.949 1.119 -2.504 1.00 52.44 H new ATOM 0 HA2 GLY A 7 20.684 -0.206 -1.793 1.00 41.33 H new ATOM 0 HA3 GLY A 7 20.037 -0.244 -0.165 1.00 41.33 H new ATOM 81 N LYS A 8 18.109 -1.723 -2.285 1.00 21.24 N ATOM 82 CA LYS A 8 17.445 -2.978 -2.620 1.00 4.54 C ATOM 83 C LYS A 8 17.852 -3.454 -4.011 1.00 0.35 C ATOM 84 O LYS A 8 18.149 -2.646 -4.891 1.00 60.41 O ATOM 85 CB LYS A 8 15.926 -2.809 -2.551 1.00 11.42 C ATOM 86 CG LYS A 8 15.420 -2.408 -1.176 1.00 2.12 C ATOM 87 CD LYS A 8 15.579 -3.538 -0.172 1.00 42.41 C ATOM 88 CE LYS A 8 14.359 -4.446 -0.158 1.00 25.15 C ATOM 89 NZ LYS A 8 14.673 -5.786 0.411 1.00 32.23 N ATOM 0 H LYS A 8 17.690 -0.897 -2.713 1.00 21.24 H new ATOM 0 HA LYS A 8 17.754 -3.729 -1.893 1.00 4.54 H new ATOM 0 HB2 LYS A 8 15.620 -2.055 -3.276 1.00 11.42 H new ATOM 0 HB3 LYS A 8 15.451 -3.745 -2.845 1.00 11.42 H new ATOM 0 HG2 LYS A 8 15.966 -1.531 -0.828 1.00 2.12 H new ATOM 0 HG3 LYS A 8 14.370 -2.124 -1.242 1.00 2.12 H new ATOM 0 HD2 LYS A 8 16.466 -4.122 -0.417 1.00 42.41 H new ATOM 0 HD3 LYS A 8 15.736 -3.122 0.823 1.00 42.41 H new ATOM 0 HE2 LYS A 8 13.566 -3.980 0.426 1.00 25.15 H new ATOM 0 HE3 LYS A 8 13.981 -4.562 -1.174 1.00 25.15 H new ATOM 0 HZ1 LYS A 8 13.816 -6.376 0.403 1.00 32.23 H new ATOM 0 HZ2 LYS A 8 15.412 -6.242 -0.161 1.00 32.23 H new ATOM 0 HZ3 LYS A 8 15.010 -5.678 1.389 1.00 32.23 H new ATOM 103 N SER A 9 17.862 -4.769 -4.201 1.00 72.14 N ATOM 104 CA SER A 9 18.234 -5.352 -5.485 1.00 22.41 C ATOM 105 C SER A 9 17.066 -5.299 -6.465 1.00 45.44 C ATOM 106 O SER A 9 16.096 -6.045 -6.335 1.00 12.13 O ATOM 107 CB SER A 9 18.691 -6.800 -5.298 1.00 22.44 C ATOM 108 OG SER A 9 19.673 -6.898 -4.281 1.00 3.34 O ATOM 0 H SER A 9 17.617 -5.451 -3.483 1.00 72.14 H new ATOM 0 HA SER A 9 19.058 -4.768 -5.896 1.00 22.41 H new ATOM 0 HB2 SER A 9 17.835 -7.425 -5.043 1.00 22.44 H new ATOM 0 HB3 SER A 9 19.095 -7.181 -6.236 1.00 22.44 H new ATOM 0 HG SER A 9 19.947 -7.833 -4.180 1.00 3.34 H new ATOM 114 N CYS A 10 17.168 -4.410 -7.448 1.00 51.11 N ATOM 115 CA CYS A 10 16.122 -4.256 -8.452 1.00 33.13 C ATOM 116 C CYS A 10 16.639 -4.630 -9.838 1.00 13.50 C ATOM 117 O CYS A 10 17.817 -4.939 -10.010 1.00 11.24 O ATOM 118 CB CYS A 10 15.601 -2.817 -8.460 1.00 22.52 C ATOM 119 SG CYS A 10 16.899 -1.558 -8.678 1.00 64.34 S ATOM 0 H CYS A 10 17.965 -3.785 -7.570 1.00 51.11 H new ATOM 0 HA CYS A 10 15.304 -4.929 -8.195 1.00 33.13 H new ATOM 0 HB2 CYS A 10 14.869 -2.711 -9.261 1.00 22.52 H new ATOM 0 HB3 CYS A 10 15.078 -2.626 -7.523 1.00 22.52 H new ATOM 124 N ASN A 11 15.748 -4.598 -10.824 1.00 0.40 N ATOM 125 CA ASN A 11 16.114 -4.933 -12.195 1.00 53.24 C ATOM 126 C ASN A 11 16.109 -3.689 -13.079 1.00 72.22 C ATOM 127 O ASN A 11 15.213 -2.848 -13.004 1.00 42.34 O ATOM 128 CB ASN A 11 15.150 -5.978 -12.761 1.00 63.13 C ATOM 129 CG ASN A 11 15.703 -6.666 -13.994 1.00 61.43 C ATOM 130 OD1 ASN A 11 16.637 -7.464 -13.907 1.00 74.34 O ATOM 131 ND2 ASN A 11 15.128 -6.360 -15.151 1.00 54.51 N ATOM 0 H ASN A 11 14.768 -4.344 -10.699 1.00 0.40 H new ATOM 0 HA ASN A 11 17.123 -5.346 -12.185 1.00 53.24 H new ATOM 0 HB2 ASN A 11 14.938 -6.725 -11.996 1.00 63.13 H new ATOM 0 HB3 ASN A 11 14.203 -5.498 -13.010 1.00 63.13 H new ATOM 0 HD21 ASN A 11 15.458 -6.792 -16.014 1.00 54.51 H new ATOM 0 HD22 ASN A 11 14.357 -5.693 -15.177 1.00 54.51 H new ATOM 138 N PRO A 12 17.132 -3.569 -13.938 1.00 25.25 N ATOM 139 CA PRO A 12 17.269 -2.433 -14.853 1.00 53.42 C ATOM 140 C PRO A 12 16.217 -2.448 -15.957 1.00 70.32 C ATOM 141 O PRO A 12 15.661 -1.409 -16.313 1.00 32.34 O ATOM 142 CB PRO A 12 18.668 -2.620 -15.445 1.00 10.51 C ATOM 143 CG PRO A 12 18.935 -4.081 -15.332 1.00 53.13 C ATOM 144 CD PRO A 12 18.236 -4.534 -14.081 1.00 35.24 C ATOM 0 HA PRO A 12 17.132 -1.480 -14.342 1.00 53.42 H new ATOM 0 HB2 PRO A 12 18.706 -2.290 -16.483 1.00 10.51 H new ATOM 0 HB3 PRO A 12 19.410 -2.038 -14.898 1.00 10.51 H new ATOM 0 HG2 PRO A 12 18.559 -4.615 -16.204 1.00 53.13 H new ATOM 0 HG3 PRO A 12 20.005 -4.279 -15.274 1.00 53.13 H new ATOM 0 HD2 PRO A 12 17.867 -5.555 -14.174 1.00 35.24 H new ATOM 0 HD3 PRO A 12 18.902 -4.513 -13.219 1.00 35.24 H new ATOM 152 N SER A 13 15.949 -3.634 -16.496 1.00 13.52 N ATOM 153 CA SER A 13 14.966 -3.784 -17.562 1.00 55.43 C ATOM 154 C SER A 13 13.569 -3.418 -17.069 1.00 32.32 C ATOM 155 O SER A 13 12.699 -3.044 -17.855 1.00 5.25 O ATOM 156 CB SER A 13 14.972 -5.219 -18.093 1.00 3.43 C ATOM 157 OG SER A 13 14.517 -5.269 -19.434 1.00 3.32 O ATOM 0 H SER A 13 16.399 -4.504 -16.212 1.00 13.52 H new ATOM 0 HA SER A 13 15.237 -3.104 -18.370 1.00 55.43 H new ATOM 0 HB2 SER A 13 15.980 -5.628 -18.032 1.00 3.43 H new ATOM 0 HB3 SER A 13 14.336 -5.844 -17.466 1.00 3.43 H new ATOM 0 HG SER A 13 14.532 -6.196 -19.750 1.00 3.32 H new ATOM 163 N ASN A 14 13.362 -3.531 -15.761 1.00 1.33 N ATOM 164 CA ASN A 14 12.071 -3.213 -15.161 1.00 22.11 C ATOM 165 C ASN A 14 12.253 -2.538 -13.805 1.00 12.20 C ATOM 166 O ASN A 14 11.928 -3.112 -12.766 1.00 13.15 O ATOM 167 CB ASN A 14 11.233 -4.483 -15.003 1.00 32.15 C ATOM 168 CG ASN A 14 9.743 -4.198 -15.013 1.00 4.31 C ATOM 169 OD1 ASN A 14 9.211 -3.584 -14.088 1.00 22.34 O ATOM 170 ND2 ASN A 14 9.063 -4.643 -16.063 1.00 21.12 N ATOM 0 H ASN A 14 14.071 -3.840 -15.096 1.00 1.33 H new ATOM 0 HA ASN A 14 11.550 -2.522 -15.824 1.00 22.11 H new ATOM 0 HB2 ASN A 14 11.473 -5.176 -15.809 1.00 32.15 H new ATOM 0 HB3 ASN A 14 11.499 -4.977 -14.069 1.00 32.15 H new ATOM 0 HD21 ASN A 14 8.058 -4.480 -16.126 1.00 21.12 H new ATOM 0 HD22 ASN A 14 9.546 -5.147 -16.807 1.00 21.12 H new ATOM 177 N ASP A 15 12.773 -1.316 -13.824 1.00 3.20 N ATOM 178 CA ASP A 15 12.997 -0.561 -12.597 1.00 12.35 C ATOM 179 C ASP A 15 11.739 -0.541 -11.734 1.00 53.31 C ATOM 180 O ASP A 15 10.714 0.015 -12.129 1.00 32.43 O ATOM 181 CB ASP A 15 13.429 0.870 -12.924 1.00 33.42 C ATOM 182 CG ASP A 15 12.410 1.601 -13.776 1.00 44.01 C ATOM 183 OD1 ASP A 15 12.134 1.135 -14.901 1.00 65.21 O ATOM 184 OD2 ASP A 15 11.890 2.640 -13.319 1.00 1.34 O ATOM 0 H ASP A 15 13.047 -0.827 -14.676 1.00 3.20 H new ATOM 0 HA ASP A 15 13.792 -1.053 -12.037 1.00 12.35 H new ATOM 0 HB2 ASP A 15 13.585 1.421 -11.996 1.00 33.42 H new ATOM 0 HB3 ASP A 15 14.386 0.848 -13.446 1.00 33.42 H new ATOM 189 N GLN A 16 11.825 -1.151 -10.557 1.00 12.15 N ATOM 190 CA GLN A 16 10.692 -1.204 -9.640 1.00 22.33 C ATOM 191 C GLN A 16 11.122 -0.844 -8.222 1.00 24.14 C ATOM 192 O GLN A 16 11.280 -1.718 -7.369 1.00 24.14 O ATOM 193 CB GLN A 16 10.061 -2.598 -9.656 1.00 2.33 C ATOM 194 CG GLN A 16 9.583 -3.033 -11.031 1.00 61.34 C ATOM 195 CD GLN A 16 8.155 -3.543 -11.019 1.00 4.33 C ATOM 196 OE1 GLN A 16 7.827 -4.486 -10.299 1.00 61.40 O ATOM 197 NE2 GLN A 16 7.297 -2.919 -11.817 1.00 71.22 N ATOM 0 H GLN A 16 12.667 -1.615 -10.216 1.00 12.15 H new ATOM 0 HA GLN A 16 9.953 -0.474 -9.972 1.00 22.33 H new ATOM 0 HB2 GLN A 16 10.789 -3.321 -9.288 1.00 2.33 H new ATOM 0 HB3 GLN A 16 9.218 -2.614 -8.965 1.00 2.33 H new ATOM 0 HG2 GLN A 16 9.659 -2.192 -11.720 1.00 61.34 H new ATOM 0 HG3 GLN A 16 10.241 -3.815 -11.409 1.00 61.34 H new ATOM 0 HE21 GLN A 16 7.613 -2.142 -12.397 1.00 71.22 H new ATOM 0 HE22 GLN A 16 6.322 -3.217 -11.850 1.00 71.22 H new ATOM 206 N CYS A 17 11.311 0.448 -7.976 1.00 11.10 N ATOM 207 CA CYS A 17 11.724 0.925 -6.662 1.00 33.14 C ATOM 208 C CYS A 17 10.650 1.817 -6.045 1.00 23.03 C ATOM 209 O CYS A 17 9.561 1.970 -6.598 1.00 71.20 O ATOM 210 CB CYS A 17 13.043 1.693 -6.766 1.00 12.02 C ATOM 211 SG CYS A 17 14.472 0.658 -7.217 1.00 24.14 S ATOM 0 H CYS A 17 11.184 1.184 -8.671 1.00 11.10 H new ATOM 0 HA CYS A 17 11.866 0.058 -6.017 1.00 33.14 H new ATOM 0 HB2 CYS A 17 12.933 2.484 -7.507 1.00 12.02 H new ATOM 0 HB3 CYS A 17 13.246 2.177 -5.811 1.00 12.02 H new ATOM 216 N CYS A 18 10.966 2.404 -4.895 1.00 52.32 N ATOM 217 CA CYS A 18 10.030 3.281 -4.202 1.00 1.12 C ATOM 218 C CYS A 18 10.131 4.710 -4.729 1.00 35.40 C ATOM 219 O CYS A 18 11.070 5.437 -4.408 1.00 2.41 O ATOM 220 CB CYS A 18 10.300 3.261 -2.696 1.00 43.30 C ATOM 221 SG CYS A 18 9.969 1.655 -1.902 1.00 44.42 S ATOM 0 H CYS A 18 11.863 2.288 -4.424 1.00 52.32 H new ATOM 0 HA CYS A 18 9.021 2.914 -4.389 1.00 1.12 H new ATOM 0 HB2 CYS A 18 11.341 3.533 -2.521 1.00 43.30 H new ATOM 0 HB3 CYS A 18 9.686 4.024 -2.218 1.00 43.30 H new ATOM 226 N LYS A 19 9.155 5.105 -5.540 1.00 62.21 N ATOM 227 CA LYS A 19 9.131 6.446 -6.112 1.00 0.04 C ATOM 228 C LYS A 19 8.919 7.496 -5.026 1.00 2.30 C ATOM 229 O LYS A 19 9.437 8.609 -5.116 1.00 43.22 O ATOM 230 CB LYS A 19 8.025 6.554 -7.164 1.00 1.52 C ATOM 231 CG LYS A 19 8.073 5.457 -8.212 1.00 62.43 C ATOM 232 CD LYS A 19 9.353 5.521 -9.029 1.00 22.24 C ATOM 233 CE LYS A 19 9.322 6.670 -10.025 1.00 73.50 C ATOM 234 NZ LYS A 19 10.296 6.469 -11.134 1.00 13.15 N ATOM 0 H LYS A 19 8.370 4.515 -5.816 1.00 62.21 H new ATOM 0 HA LYS A 19 10.095 6.629 -6.587 1.00 0.04 H new ATOM 0 HB2 LYS A 19 7.056 6.526 -6.665 1.00 1.52 H new ATOM 0 HB3 LYS A 19 8.100 7.522 -7.660 1.00 1.52 H new ATOM 0 HG2 LYS A 19 7.999 4.484 -7.725 1.00 62.43 H new ATOM 0 HG3 LYS A 19 7.212 5.548 -8.875 1.00 62.43 H new ATOM 0 HD2 LYS A 19 10.206 5.640 -8.361 1.00 22.24 H new ATOM 0 HD3 LYS A 19 9.493 4.580 -9.561 1.00 22.24 H new ATOM 0 HE2 LYS A 19 8.317 6.767 -10.437 1.00 73.50 H new ATOM 0 HE3 LYS A 19 9.546 7.604 -9.509 1.00 73.50 H new ATOM 0 HZ1 LYS A 19 10.244 7.273 -11.791 1.00 13.15 H new ATOM 0 HZ2 LYS A 19 11.258 6.402 -10.744 1.00 13.15 H new ATOM 0 HZ3 LYS A 19 10.067 5.591 -11.642 1.00 13.15 H new ATOM 248 N SER A 20 8.156 7.135 -4.000 1.00 33.52 N ATOM 249 CA SER A 20 7.874 8.047 -2.898 1.00 32.12 C ATOM 250 C SER A 20 9.168 8.559 -2.272 1.00 55.00 C ATOM 251 O SER A 20 9.250 9.710 -1.844 1.00 14.15 O ATOM 252 CB SER A 20 7.021 7.350 -1.836 1.00 25.52 C ATOM 253 OG SER A 20 6.108 6.443 -2.429 1.00 50.34 O ATOM 0 H SER A 20 7.722 6.217 -3.909 1.00 33.52 H new ATOM 0 HA SER A 20 7.321 8.898 -3.296 1.00 32.12 H new ATOM 0 HB2 SER A 20 7.667 6.817 -1.139 1.00 25.52 H new ATOM 0 HB3 SER A 20 6.474 8.095 -1.258 1.00 25.52 H new ATOM 0 HG SER A 20 5.576 6.010 -1.729 1.00 50.34 H new ATOM 259 N SER A 21 10.176 7.695 -2.223 1.00 64.11 N ATOM 260 CA SER A 21 11.466 8.057 -1.647 1.00 12.25 C ATOM 261 C SER A 21 12.449 8.475 -2.735 1.00 45.42 C ATOM 262 O SER A 21 13.663 8.461 -2.530 1.00 21.43 O ATOM 263 CB SER A 21 12.039 6.884 -0.849 1.00 1.44 C ATOM 264 OG SER A 21 11.540 6.878 0.478 1.00 62.32 O ATOM 0 H SER A 21 10.125 6.739 -2.575 1.00 64.11 H new ATOM 0 HA SER A 21 11.312 8.903 -0.977 1.00 12.25 H new ATOM 0 HB2 SER A 21 11.783 5.946 -1.341 1.00 1.44 H new ATOM 0 HB3 SER A 21 13.127 6.949 -0.832 1.00 1.44 H new ATOM 0 HG SER A 21 11.920 6.118 0.967 1.00 62.32 H new ATOM 270 N SER A 22 11.916 8.848 -3.894 1.00 42.03 N ATOM 271 CA SER A 22 12.746 9.267 -5.018 1.00 31.01 C ATOM 272 C SER A 22 13.823 8.228 -5.315 1.00 3.23 C ATOM 273 O SER A 22 15.018 8.512 -5.221 1.00 63.23 O ATOM 274 CB SER A 22 13.394 10.621 -4.723 1.00 43.05 C ATOM 275 OG SER A 22 12.507 11.686 -5.018 1.00 43.11 O ATOM 0 H SER A 22 10.913 8.869 -4.080 1.00 42.03 H new ATOM 0 HA SER A 22 12.106 9.362 -5.895 1.00 31.01 H new ATOM 0 HB2 SER A 22 13.686 10.667 -3.674 1.00 43.05 H new ATOM 0 HB3 SER A 22 14.305 10.728 -5.312 1.00 43.05 H new ATOM 0 HG SER A 22 12.944 12.540 -4.819 1.00 43.11 H new ATOM 281 N LEU A 23 13.392 7.024 -5.673 1.00 20.13 N ATOM 282 CA LEU A 23 14.318 5.941 -5.984 1.00 25.31 C ATOM 283 C LEU A 23 14.193 5.519 -7.444 1.00 54.23 C ATOM 284 O LEU A 23 13.200 5.824 -8.105 1.00 45.34 O ATOM 285 CB LEU A 23 14.057 4.742 -5.071 1.00 22.43 C ATOM 286 CG LEU A 23 14.353 4.952 -3.585 1.00 63.04 C ATOM 287 CD1 LEU A 23 14.078 3.679 -2.801 1.00 21.33 C ATOM 288 CD2 LEU A 23 15.793 5.402 -3.387 1.00 64.02 C ATOM 0 H LEU A 23 12.407 6.773 -5.755 1.00 20.13 H new ATOM 0 HA LEU A 23 15.332 6.304 -5.816 1.00 25.31 H new ATOM 0 HB2 LEU A 23 13.011 4.452 -5.175 1.00 22.43 H new ATOM 0 HB3 LEU A 23 14.657 3.904 -5.425 1.00 22.43 H new ATOM 0 HG LEU A 23 13.694 5.735 -3.210 1.00 63.04 H new ATOM 0 HD11 LEU A 23 14.294 3.848 -1.746 1.00 21.33 H new ATOM 0 HD12 LEU A 23 13.031 3.400 -2.917 1.00 21.33 H new ATOM 0 HD13 LEU A 23 14.712 2.876 -3.177 1.00 21.33 H new ATOM 0 HD21 LEU A 23 15.986 5.547 -2.324 1.00 64.02 H new ATOM 0 HD22 LEU A 23 16.469 4.642 -3.778 1.00 64.02 H new ATOM 0 HD23 LEU A 23 15.957 6.341 -3.917 1.00 64.02 H new ATOM 300 N ALA A 24 15.204 4.814 -7.941 1.00 1.43 N ATOM 301 CA ALA A 24 15.205 4.347 -9.321 1.00 54.14 C ATOM 302 C ALA A 24 16.257 3.264 -9.534 1.00 33.11 C ATOM 303 O ALA A 24 17.281 3.236 -8.851 1.00 33.15 O ATOM 304 CB ALA A 24 15.443 5.511 -10.272 1.00 73.33 C ATOM 0 H ALA A 24 16.033 4.554 -7.407 1.00 1.43 H new ATOM 0 HA ALA A 24 14.228 3.913 -9.532 1.00 54.14 H new ATOM 0 HB1 ALA A 24 15.441 5.147 -11.300 1.00 73.33 H new ATOM 0 HB2 ALA A 24 14.652 6.250 -10.147 1.00 73.33 H new ATOM 0 HB3 ALA A 24 16.407 5.970 -10.051 1.00 73.33 H new ATOM 310 N CYS A 25 15.998 2.373 -10.485 1.00 31.31 N ATOM 311 CA CYS A 25 16.922 1.286 -10.787 1.00 54.12 C ATOM 312 C CYS A 25 17.837 1.658 -11.950 1.00 70.01 C ATOM 313 O CYS A 25 17.385 1.815 -13.084 1.00 74.22 O ATOM 314 CB CYS A 25 16.148 0.009 -11.121 1.00 50.00 C ATOM 315 SG CYS A 25 17.064 -1.527 -10.776 1.00 22.14 S ATOM 0 H CYS A 25 15.156 2.382 -11.060 1.00 31.31 H new ATOM 0 HA CYS A 25 17.538 1.110 -9.905 1.00 54.12 H new ATOM 0 HB2 CYS A 25 15.219 0.001 -10.552 1.00 50.00 H new ATOM 0 HB3 CYS A 25 15.875 0.028 -12.176 1.00 50.00 H new ATOM 320 N SER A 26 19.127 1.797 -11.660 1.00 14.33 N ATOM 321 CA SER A 26 20.106 2.154 -12.680 1.00 14.12 C ATOM 322 C SER A 26 20.784 0.908 -13.241 1.00 1.20 C ATOM 323 O SER A 26 21.091 -0.031 -12.506 1.00 64.10 O ATOM 324 CB SER A 26 21.156 3.103 -12.099 1.00 71.20 C ATOM 325 OG SER A 26 21.472 4.136 -13.016 1.00 11.45 O ATOM 0 H SER A 26 19.518 1.668 -10.727 1.00 14.33 H new ATOM 0 HA SER A 26 19.582 2.658 -13.492 1.00 14.12 H new ATOM 0 HB2 SER A 26 20.784 3.537 -11.171 1.00 71.20 H new ATOM 0 HB3 SER A 26 22.058 2.544 -11.851 1.00 71.20 H new ATOM 0 HG SER A 26 21.063 4.975 -12.717 1.00 11.45 H new ATOM 331 N THR A 27 21.016 0.907 -14.550 1.00 74.22 N ATOM 332 CA THR A 27 21.656 -0.223 -15.212 1.00 3.41 C ATOM 333 C THR A 27 23.163 -0.212 -14.982 1.00 42.12 C ATOM 334 O THR A 27 23.883 -1.082 -15.473 1.00 10.01 O ATOM 335 CB THR A 27 21.379 -0.217 -16.727 1.00 43.11 C ATOM 336 OG1 THR A 27 20.091 0.351 -16.987 1.00 72.25 O ATOM 337 CG2 THR A 27 21.442 -1.627 -17.294 1.00 34.20 C ATOM 0 H THR A 27 20.770 1.676 -15.173 1.00 74.22 H new ATOM 0 HA THR A 27 21.231 -1.127 -14.777 1.00 3.41 H new ATOM 0 HB THR A 27 22.146 0.387 -17.212 1.00 43.11 H new ATOM 0 HG1 THR A 27 19.923 0.353 -17.953 1.00 72.25 H new ATOM 0 HG21 THR A 27 21.243 -1.598 -18.365 1.00 34.20 H new ATOM 0 HG22 THR A 27 22.434 -2.045 -17.120 1.00 34.20 H new ATOM 0 HG23 THR A 27 20.694 -2.250 -16.803 1.00 34.20 H new ATOM 345 N LYS A 28 23.636 0.778 -14.233 1.00 13.24 N ATOM 346 CA LYS A 28 25.058 0.902 -13.935 1.00 53.03 C ATOM 347 C LYS A 28 25.407 0.180 -12.638 1.00 1.53 C ATOM 348 O LYS A 28 26.350 -0.610 -12.590 1.00 3.14 O ATOM 349 CB LYS A 28 25.452 2.377 -13.833 1.00 51.21 C ATOM 350 CG LYS A 28 26.179 2.899 -15.060 1.00 62.12 C ATOM 351 CD LYS A 28 25.951 4.389 -15.252 1.00 60.12 C ATOM 352 CE LYS A 28 27.062 5.210 -14.614 1.00 75.54 C ATOM 353 NZ LYS A 28 27.060 6.617 -15.100 1.00 41.23 N ATOM 0 H LYS A 28 23.054 1.507 -13.821 1.00 13.24 H new ATOM 0 HA LYS A 28 25.616 0.439 -14.749 1.00 53.03 H new ATOM 0 HB2 LYS A 28 24.554 2.974 -13.672 1.00 51.21 H new ATOM 0 HB3 LYS A 28 26.088 2.515 -12.958 1.00 51.21 H new ATOM 0 HG2 LYS A 28 27.247 2.703 -14.962 1.00 62.12 H new ATOM 0 HG3 LYS A 28 25.836 2.361 -15.944 1.00 62.12 H new ATOM 0 HD2 LYS A 28 25.895 4.615 -16.317 1.00 60.12 H new ATOM 0 HD3 LYS A 28 24.993 4.671 -14.816 1.00 60.12 H new ATOM 0 HE2 LYS A 28 26.945 5.200 -13.530 1.00 75.54 H new ATOM 0 HE3 LYS A 28 28.026 4.751 -14.835 1.00 75.54 H new ATOM 0 HZ1 LYS A 28 27.831 7.144 -14.642 1.00 41.23 H new ATOM 0 HZ2 LYS A 28 27.197 6.628 -16.131 1.00 41.23 H new ATOM 0 HZ3 LYS A 28 26.150 7.063 -14.867 1.00 41.23 H new ATOM 367 N HIS A 29 24.640 0.456 -11.587 1.00 43.34 N ATOM 368 CA HIS A 29 24.868 -0.169 -10.289 1.00 41.33 C ATOM 369 C HIS A 29 23.838 -1.263 -10.025 1.00 11.42 C ATOM 370 O HIS A 29 24.050 -2.141 -9.188 1.00 52.32 O ATOM 371 CB HIS A 29 24.812 0.880 -9.178 1.00 65.10 C ATOM 372 CG HIS A 29 25.967 1.834 -9.197 1.00 13.22 C ATOM 373 ND1 HIS A 29 27.239 1.469 -9.581 1.00 25.50 N ATOM 374 CD2 HIS A 29 26.035 3.148 -8.877 1.00 75.23 C ATOM 375 CE1 HIS A 29 28.041 2.515 -9.495 1.00 53.44 C ATOM 376 NE2 HIS A 29 27.334 3.547 -9.071 1.00 51.42 N ATOM 0 H HIS A 29 23.856 1.108 -11.609 1.00 43.34 H new ATOM 0 HA HIS A 29 25.859 -0.623 -10.300 1.00 41.33 H new ATOM 0 HB2 HIS A 29 23.884 1.444 -9.269 1.00 65.10 H new ATOM 0 HB3 HIS A 29 24.785 0.374 -8.213 1.00 65.10 H new ATOM 0 HD2 HIS A 29 25.219 3.767 -8.533 1.00 75.23 H new ATOM 0 HE1 HIS A 29 29.095 2.525 -9.731 1.00 53.44 H new ATOM 0 HE2 HIS A 29 27.695 4.488 -8.913 1.00 51.42 H new ATOM 384 N LYS A 30 22.721 -1.203 -10.743 1.00 24.24 N ATOM 385 CA LYS A 30 21.658 -2.188 -10.587 1.00 33.22 C ATOM 386 C LYS A 30 21.118 -2.185 -9.160 1.00 23.30 C ATOM 387 O LYS A 30 21.216 -3.185 -8.448 1.00 13.31 O ATOM 388 CB LYS A 30 22.171 -3.584 -10.947 1.00 33.44 C ATOM 389 CG LYS A 30 22.063 -3.909 -12.426 1.00 74.53 C ATOM 390 CD LYS A 30 21.810 -5.390 -12.655 1.00 31.21 C ATOM 391 CE LYS A 30 23.090 -6.124 -13.025 1.00 2.44 C ATOM 392 NZ LYS A 30 22.825 -7.530 -13.437 1.00 13.41 N ATOM 0 H LYS A 30 22.529 -0.482 -11.439 1.00 24.24 H new ATOM 0 HA LYS A 30 20.847 -1.920 -11.264 1.00 33.22 H new ATOM 0 HB2 LYS A 30 23.213 -3.669 -10.640 1.00 33.44 H new ATOM 0 HB3 LYS A 30 21.610 -4.326 -10.379 1.00 33.44 H new ATOM 0 HG2 LYS A 30 21.254 -3.328 -12.869 1.00 74.53 H new ATOM 0 HG3 LYS A 30 22.982 -3.613 -12.932 1.00 74.53 H new ATOM 0 HD2 LYS A 30 21.384 -5.831 -11.754 1.00 31.21 H new ATOM 0 HD3 LYS A 30 21.075 -5.516 -13.450 1.00 31.21 H new ATOM 0 HE2 LYS A 30 23.589 -5.596 -13.837 1.00 2.44 H new ATOM 0 HE3 LYS A 30 23.771 -6.117 -12.174 1.00 2.44 H new ATOM 0 HZ1 LYS A 30 23.723 -7.995 -13.681 1.00 13.41 H new ATOM 0 HZ2 LYS A 30 22.371 -8.042 -12.653 1.00 13.41 H new ATOM 0 HZ3 LYS A 30 22.196 -7.536 -14.265 1.00 13.41 H new ATOM 406 N TRP A 31 20.549 -1.058 -8.750 1.00 51.32 N ATOM 407 CA TRP A 31 19.993 -0.926 -7.408 1.00 74.43 C ATOM 408 C TRP A 31 19.236 0.389 -7.259 1.00 4.11 C ATOM 409 O TRP A 31 19.486 1.347 -7.991 1.00 44.01 O ATOM 410 CB TRP A 31 21.105 -1.011 -6.362 1.00 62.12 C ATOM 411 CG TRP A 31 21.911 0.247 -6.249 1.00 42.50 C ATOM 412 CD1 TRP A 31 22.292 1.071 -7.269 1.00 51.45 C ATOM 413 CD2 TRP A 31 22.437 0.824 -5.048 1.00 73.52 C ATOM 414 NE1 TRP A 31 23.023 2.125 -6.775 1.00 74.03 N ATOM 415 CE2 TRP A 31 23.125 1.997 -5.415 1.00 72.44 C ATOM 416 CE3 TRP A 31 22.391 0.464 -3.699 1.00 22.03 C ATOM 417 CZ2 TRP A 31 23.762 2.809 -4.481 1.00 72.21 C ATOM 418 CZ3 TRP A 31 23.024 1.271 -2.773 1.00 3.03 C ATOM 419 CH2 TRP A 31 23.701 2.433 -3.167 1.00 24.32 C ATOM 0 H TRP A 31 20.460 -0.222 -9.327 1.00 51.32 H new ATOM 0 HA TRP A 31 19.293 -1.746 -7.250 1.00 74.43 H new ATOM 0 HB2 TRP A 31 20.665 -1.240 -5.392 1.00 62.12 H new ATOM 0 HB3 TRP A 31 21.769 -1.838 -6.614 1.00 62.12 H new ATOM 0 HD1 TRP A 31 22.054 0.917 -8.311 1.00 51.45 H new ATOM 0 HE1 TRP A 31 23.424 2.880 -7.331 1.00 74.03 H new ATOM 0 HE3 TRP A 31 21.870 -0.429 -3.386 1.00 22.03 H new ATOM 0 HZ2 TRP A 31 24.286 3.704 -4.783 1.00 72.21 H new ATOM 0 HZ3 TRP A 31 22.997 1.002 -1.728 1.00 3.03 H new ATOM 0 HH2 TRP A 31 24.184 3.044 -2.419 1.00 24.32 H new ATOM 430 N CYS A 32 18.311 0.430 -6.306 1.00 71.33 N ATOM 431 CA CYS A 32 17.518 1.628 -6.061 1.00 34.14 C ATOM 432 C CYS A 32 18.401 2.777 -5.583 1.00 62.14 C ATOM 433 O CYS A 32 18.672 2.912 -4.390 1.00 44.41 O ATOM 434 CB CYS A 32 16.430 1.341 -5.023 1.00 43.32 C ATOM 435 SG CYS A 32 15.297 -0.008 -5.487 1.00 2.41 S ATOM 0 H CYS A 32 18.092 -0.353 -5.691 1.00 71.33 H new ATOM 0 HA CYS A 32 17.048 1.921 -7.000 1.00 34.14 H new ATOM 0 HB2 CYS A 32 16.905 1.092 -4.074 1.00 43.32 H new ATOM 0 HB3 CYS A 32 15.849 2.249 -4.860 1.00 43.32 H new ATOM 440 N LYS A 33 18.847 3.603 -6.524 1.00 25.42 N ATOM 441 CA LYS A 33 19.699 4.741 -6.201 1.00 41.45 C ATOM 442 C LYS A 33 18.888 6.032 -6.157 1.00 52.34 C ATOM 443 O LYS A 33 17.941 6.208 -6.924 1.00 74.02 O ATOM 444 CB LYS A 33 20.825 4.869 -7.230 1.00 5.35 C ATOM 445 CG LYS A 33 20.340 4.854 -8.669 1.00 21.43 C ATOM 446 CD LYS A 33 21.218 5.714 -9.563 1.00 33.44 C ATOM 447 CE LYS A 33 22.642 5.182 -9.623 1.00 53.40 C ATOM 448 NZ LYS A 33 23.297 5.499 -10.922 1.00 42.21 N ATOM 0 H LYS A 33 18.632 3.505 -7.516 1.00 25.42 H new ATOM 0 HA LYS A 33 20.133 4.571 -5.216 1.00 41.45 H new ATOM 0 HB2 LYS A 33 21.368 5.797 -7.048 1.00 5.35 H new ATOM 0 HB3 LYS A 33 21.532 4.052 -7.085 1.00 5.35 H new ATOM 0 HG2 LYS A 33 20.334 3.829 -9.041 1.00 21.43 H new ATOM 0 HG3 LYS A 33 19.312 5.215 -8.711 1.00 21.43 H new ATOM 0 HD2 LYS A 33 20.797 5.744 -10.568 1.00 33.44 H new ATOM 0 HD3 LYS A 33 21.226 6.738 -9.190 1.00 33.44 H new ATOM 0 HE2 LYS A 33 23.225 5.611 -8.808 1.00 53.40 H new ATOM 0 HE3 LYS A 33 22.633 4.102 -9.474 1.00 53.40 H new ATOM 0 HZ1 LYS A 33 24.247 5.076 -10.944 1.00 42.21 H new ATOM 0 HZ2 LYS A 33 22.728 5.112 -11.701 1.00 42.21 H new ATOM 0 HZ3 LYS A 33 23.374 6.531 -11.029 1.00 42.21 H new ATOM 462 N TYR A 34 19.266 6.933 -5.257 1.00 32.30 N ATOM 463 CA TYR A 34 18.572 8.207 -5.113 1.00 5.22 C ATOM 464 C TYR A 34 18.605 8.996 -6.418 1.00 63.04 C ATOM 465 O TYR A 34 19.674 9.273 -6.962 1.00 21.24 O ATOM 466 CB TYR A 34 19.205 9.031 -3.990 1.00 54.50 C ATOM 467 CG TYR A 34 18.767 8.606 -2.607 1.00 12.44 C ATOM 468 CD1 TYR A 34 17.421 8.446 -2.301 1.00 1.33 C ATOM 469 CD2 TYR A 34 19.699 8.364 -1.606 1.00 25.15 C ATOM 470 CE1 TYR A 34 17.017 8.059 -1.038 1.00 32.11 C ATOM 471 CE2 TYR A 34 19.304 7.975 -0.340 1.00 64.42 C ATOM 472 CZ TYR A 34 17.962 7.824 -0.061 1.00 40.12 C ATOM 473 OH TYR A 34 17.563 7.437 1.198 1.00 64.45 O ATOM 0 H TYR A 34 20.049 6.805 -4.616 1.00 32.30 H new ATOM 0 HA TYR A 34 17.532 7.999 -4.862 1.00 5.22 H new ATOM 0 HB2 TYR A 34 20.290 8.951 -4.059 1.00 54.50 H new ATOM 0 HB3 TYR A 34 18.953 10.082 -4.135 1.00 54.50 H new ATOM 0 HD1 TYR A 34 16.678 8.627 -3.064 1.00 1.33 H new ATOM 0 HD2 TYR A 34 20.751 8.482 -1.821 1.00 25.15 H new ATOM 0 HE1 TYR A 34 15.967 7.941 -0.817 1.00 32.11 H new ATOM 0 HE2 TYR A 34 20.042 7.790 0.426 1.00 64.42 H new ATOM 0 HH TYR A 34 18.351 7.311 1.767 1.00 64.45 H new ATOM 483 N GLU A 35 17.426 9.355 -6.915 1.00 74.22 N ATOM 484 CA GLU A 35 17.319 10.112 -8.157 1.00 32.30 C ATOM 485 C GLU A 35 17.612 11.590 -7.920 1.00 2.31 C ATOM 486 O GLU A 35 16.785 12.319 -7.369 1.00 64.42 O ATOM 487 CB GLU A 35 15.923 9.948 -8.761 1.00 73.05 C ATOM 488 CG GLU A 35 15.773 8.702 -9.619 1.00 12.34 C ATOM 489 CD GLU A 35 14.699 8.850 -10.679 1.00 64.14 C ATOM 490 OE1 GLU A 35 13.517 9.006 -10.308 1.00 41.25 O ATOM 491 OE2 GLU A 35 15.041 8.809 -11.880 1.00 20.33 O ATOM 0 H GLU A 35 16.532 9.134 -6.477 1.00 74.22 H new ATOM 0 HA GLU A 35 18.058 9.721 -8.856 1.00 32.30 H new ATOM 0 HB2 GLU A 35 15.189 9.915 -7.955 1.00 73.05 H new ATOM 0 HB3 GLU A 35 15.693 10.825 -9.366 1.00 73.05 H new ATOM 0 HG2 GLU A 35 16.725 8.480 -10.100 1.00 12.34 H new ATOM 0 HG3 GLU A 35 15.533 7.852 -8.980 1.00 12.34 H new ATOM 498 N LEU A 36 18.795 12.027 -8.339 1.00 13.12 N ATOM 499 CA LEU A 36 19.199 13.419 -8.172 1.00 61.13 C ATOM 500 C LEU A 36 18.905 14.226 -9.433 1.00 15.04 C ATOM 501 O LEU A 36 17.965 15.021 -9.468 1.00 22.43 O ATOM 502 CB LEU A 36 20.689 13.501 -7.837 1.00 63.00 C ATOM 503 CG LEU A 36 21.168 12.615 -6.687 1.00 23.24 C ATOM 504 CD1 LEU A 36 22.687 12.625 -6.601 1.00 74.15 C ATOM 505 CD2 LEU A 36 20.555 13.072 -5.371 1.00 25.43 C ATOM 0 H LEU A 36 19.491 11.438 -8.797 1.00 13.12 H new ATOM 0 HA LEU A 36 18.624 13.843 -7.349 1.00 61.13 H new ATOM 0 HB2 LEU A 36 21.257 13.241 -8.730 1.00 63.00 H new ATOM 0 HB3 LEU A 36 20.930 14.536 -7.596 1.00 63.00 H new ATOM 0 HG LEU A 36 20.843 11.593 -6.882 1.00 23.24 H new ATOM 0 HD11 LEU A 36 23.009 11.989 -5.777 1.00 74.15 H new ATOM 0 HD12 LEU A 36 23.107 12.250 -7.534 1.00 74.15 H new ATOM 0 HD13 LEU A 36 23.035 13.644 -6.430 1.00 74.15 H new ATOM 0 HD21 LEU A 36 20.907 12.430 -4.563 1.00 25.43 H new ATOM 0 HD22 LEU A 36 20.850 14.102 -5.171 1.00 25.43 H new ATOM 0 HD23 LEU A 36 19.469 13.012 -5.435 1.00 25.43 H new TER 517 LEU A 36