USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 288 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 9 THR OG1 : rot 71:sc= 0.33! USER MOD Set 1.2: A 23 ASN :FLIP amide:sc= 0.0418! F(o=-1,f=0.37!) USER MOD Set 2.1: A 22 ASN : amide:sc= -3.47! C(o=-5.6!,f=-17!) USER MOD Set 2.2: A 25 THR OG1 : rot 180:sc= -2.09 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0089 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0199) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0893 USER MOD Single : A 17 LYS NZ :NH3+ -149:sc= -0.113 (180deg=-0.669) USER MOD Single : A 18 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.137 USER MOD Single : A 20 TYR OH : rot 180:sc= -0.218 USER MOD Single : A 21 TYR OH : rot 0:sc= -2.02! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.575 -7.367 -14.901 1.00 0.00 N ATOM 2 CA GLY A 1 -6.001 -6.930 -14.843 1.00 0.00 C ATOM 3 C GLY A 1 -6.098 -5.455 -14.479 1.00 0.00 C ATOM 4 O GLY A 1 -6.046 -4.585 -15.348 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.531 -8.376 -15.151 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.070 -6.810 -15.620 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.129 -7.220 -13.973 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.479 -7.104 -15.807 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.540 -7.527 -14.107 1.00 0.00 H new ATOM 10 N ALA A 2 -6.237 -5.176 -13.185 1.00 0.00 N ATOM 11 CA ALA A 2 -6.340 -3.803 -12.705 1.00 0.00 C ATOM 12 C ALA A 2 -6.486 -3.780 -11.189 1.00 0.00 C ATOM 13 O ALA A 2 -5.533 -3.472 -10.471 1.00 0.00 O ATOM 14 CB ALA A 2 -7.535 -3.112 -13.355 1.00 0.00 C ATOM 0 H ALA A 2 -6.281 -5.883 -12.451 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.429 -3.269 -12.976 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -7.605 -2.087 -12.991 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.407 -3.105 -14.437 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.448 -3.650 -13.102 1.00 0.00 H new ATOM 20 N THR A 3 -7.680 -4.105 -10.705 1.00 0.00 N ATOM 21 CA THR A 3 -7.945 -4.119 -9.270 1.00 0.00 C ATOM 22 C THR A 3 -9.155 -4.990 -8.953 1.00 0.00 C ATOM 23 O THR A 3 -10.221 -4.485 -8.600 1.00 0.00 O ATOM 24 CB THR A 3 -8.180 -2.696 -8.770 1.00 0.00 C ATOM 25 OG1 THR A 3 -8.371 -1.820 -9.869 1.00 0.00 O ATOM 26 CG2 THR A 3 -7.003 -2.222 -7.922 1.00 0.00 C ATOM 0 H THR A 3 -8.479 -4.362 -11.284 1.00 0.00 H new ATOM 0 HA THR A 3 -7.077 -4.539 -8.762 1.00 0.00 H new ATOM 0 HB THR A 3 -9.076 -2.691 -8.150 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.523 -0.910 -9.539 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.190 -1.206 -7.575 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.884 -2.882 -7.063 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.093 -2.239 -8.521 1.00 0.00 H new ATOM 34 N ALA A 4 -8.979 -6.300 -9.072 1.00 0.00 N ATOM 35 CA ALA A 4 -10.052 -7.247 -8.788 1.00 0.00 C ATOM 36 C ALA A 4 -9.778 -7.952 -7.470 1.00 0.00 C ATOM 37 O ALA A 4 -9.821 -9.180 -7.385 1.00 0.00 O ATOM 38 CB ALA A 4 -10.167 -8.267 -9.916 1.00 0.00 C ATOM 0 H ALA A 4 -8.102 -6.732 -9.364 1.00 0.00 H new ATOM 0 HA ALA A 4 -10.994 -6.705 -8.713 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -10.971 -8.968 -9.692 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -10.385 -7.752 -10.852 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -9.227 -8.811 -10.012 1.00 0.00 H new ATOM 44 N VAL A 5 -9.486 -7.162 -6.447 1.00 0.00 N ATOM 45 CA VAL A 5 -9.191 -7.689 -5.121 1.00 0.00 C ATOM 46 C VAL A 5 -8.053 -8.693 -5.198 1.00 0.00 C ATOM 47 O VAL A 5 -8.268 -9.904 -5.161 1.00 0.00 O ATOM 48 CB VAL A 5 -10.435 -8.339 -4.521 1.00 0.00 C ATOM 49 CG1 VAL A 5 -10.185 -8.729 -3.065 1.00 0.00 C ATOM 50 CG2 VAL A 5 -11.634 -7.402 -4.624 1.00 0.00 C ATOM 0 H VAL A 5 -9.447 -6.145 -6.511 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.886 -6.865 -4.476 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.657 -9.243 -5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -11.082 -9.191 -2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.357 -9.436 -3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.937 -7.839 -2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.511 -7.884 -4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.422 -6.480 -4.083 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -11.827 -7.172 -5.672 1.00 0.00 H new ATOM 60 N SER A 6 -6.840 -8.166 -5.303 1.00 0.00 N ATOM 61 CA SER A 6 -5.632 -8.986 -5.386 1.00 0.00 C ATOM 62 C SER A 6 -4.445 -8.125 -5.800 1.00 0.00 C ATOM 63 O SER A 6 -4.495 -6.900 -5.708 1.00 0.00 O ATOM 64 CB SER A 6 -5.826 -10.118 -6.397 1.00 0.00 C ATOM 65 OG SER A 6 -5.633 -11.379 -5.773 1.00 0.00 O ATOM 0 H SER A 6 -6.663 -7.162 -5.333 1.00 0.00 H new ATOM 0 HA SER A 6 -5.437 -9.419 -4.405 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.828 -10.066 -6.823 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.123 -10.002 -7.222 1.00 0.00 H new ATOM 0 HG SER A 6 -5.762 -12.093 -6.432 1.00 0.00 H new ATOM 71 N GLU A 7 -3.381 -8.771 -6.261 1.00 0.00 N ATOM 72 CA GLU A 7 -2.180 -8.067 -6.693 1.00 0.00 C ATOM 73 C GLU A 7 -1.545 -7.304 -5.533 1.00 0.00 C ATOM 74 O GLU A 7 -0.730 -6.407 -5.748 1.00 0.00 O ATOM 75 CB GLU A 7 -2.522 -7.102 -7.823 1.00 0.00 C ATOM 76 CG GLU A 7 -2.444 -7.789 -9.183 1.00 0.00 C ATOM 77 CD GLU A 7 -3.358 -7.090 -10.180 1.00 0.00 C ATOM 78 OE1 GLU A 7 -3.490 -5.851 -10.100 1.00 0.00 O ATOM 79 OE2 GLU A 7 -3.943 -7.782 -11.039 1.00 0.00 O ATOM 0 H GLU A 7 -3.326 -9.786 -6.345 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.462 -8.805 -7.051 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.525 -6.703 -7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.836 -6.256 -7.801 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.417 -7.774 -9.548 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.732 -8.836 -9.087 1.00 0.00 H new ATOM 86 N TRP A 8 -1.920 -7.657 -4.307 1.00 0.00 N ATOM 87 CA TRP A 8 -1.384 -6.997 -3.123 1.00 0.00 C ATOM 88 C TRP A 8 -1.068 -8.013 -2.034 1.00 0.00 C ATOM 89 O TRP A 8 -1.858 -8.918 -1.769 1.00 0.00 O ATOM 90 CB TRP A 8 -2.398 -5.994 -2.597 1.00 0.00 C ATOM 91 CG TRP A 8 -2.424 -4.728 -3.388 1.00 0.00 C ATOM 92 CD1 TRP A 8 -3.317 -4.387 -4.363 1.00 0.00 C ATOM 93 CD2 TRP A 8 -1.503 -3.626 -3.278 1.00 0.00 C ATOM 94 NE1 TRP A 8 -3.003 -3.142 -4.833 1.00 0.00 N ATOM 95 CE2 TRP A 8 -1.904 -2.651 -4.197 1.00 0.00 C ATOM 96 CE3 TRP A 8 -0.385 -3.374 -2.486 1.00 0.00 C ATOM 97 CZ2 TRP A 8 -1.224 -1.451 -4.338 1.00 0.00 C ATOM 98 CZ3 TRP A 8 0.302 -2.180 -2.622 1.00 0.00 C ATOM 99 CH2 TRP A 8 -0.114 -1.225 -3.539 1.00 0.00 C ATOM 0 H TRP A 8 -2.593 -8.397 -4.108 1.00 0.00 H new ATOM 0 HA TRP A 8 -0.463 -6.484 -3.400 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.390 -6.446 -2.611 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -2.167 -5.763 -1.557 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.137 -5.000 -4.707 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -3.521 -2.649 -5.560 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.055 -4.109 -1.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.551 -0.710 -5.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.170 -1.990 -2.008 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.432 -0.298 -3.631 1.00 0.00 H new ATOM 110 N THR A 9 0.084 -7.850 -1.391 1.00 0.00 N ATOM 111 CA THR A 9 0.494 -8.743 -0.315 1.00 0.00 C ATOM 112 C THR A 9 0.569 -7.964 0.989 1.00 0.00 C ATOM 113 O THR A 9 0.354 -6.754 1.005 1.00 0.00 O ATOM 114 CB THR A 9 1.851 -9.365 -0.632 1.00 0.00 C ATOM 115 OG1 THR A 9 2.126 -9.246 -2.019 1.00 0.00 O ATOM 116 CG2 THR A 9 1.882 -10.832 -0.217 1.00 0.00 C ATOM 0 H THR A 9 0.751 -7.106 -1.598 1.00 0.00 H new ATOM 0 HA THR A 9 -0.239 -9.543 -0.216 1.00 0.00 H new ATOM 0 HB THR A 9 2.616 -8.832 -0.068 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.318 -8.310 -2.235 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.858 -11.256 -0.452 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.701 -10.911 0.855 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.109 -11.379 -0.757 1.00 0.00 H new ATOM 124 N GLU A 10 0.870 -8.660 2.079 1.00 0.00 N ATOM 125 CA GLU A 10 0.968 -8.023 3.390 1.00 0.00 C ATOM 126 C GLU A 10 2.314 -8.325 4.031 1.00 0.00 C ATOM 127 O GLU A 10 2.926 -9.358 3.758 1.00 0.00 O ATOM 128 CB GLU A 10 -0.166 -8.499 4.299 1.00 0.00 C ATOM 129 CG GLU A 10 -0.472 -9.981 4.092 1.00 0.00 C ATOM 130 CD GLU A 10 -1.528 -10.444 5.089 1.00 0.00 C ATOM 131 OE1 GLU A 10 -2.333 -9.602 5.536 1.00 0.00 O ATOM 132 OE2 GLU A 10 -1.546 -11.648 5.421 1.00 0.00 O ATOM 0 H GLU A 10 1.050 -9.664 2.083 1.00 0.00 H new ATOM 0 HA GLU A 10 0.881 -6.945 3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.105 -8.325 5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.062 -7.911 4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.824 -10.149 3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.438 -10.569 4.215 1.00 0.00 H new ATOM 139 N TYR A 11 2.773 -7.411 4.878 1.00 0.00 N ATOM 140 CA TYR A 11 4.054 -7.568 5.555 1.00 0.00 C ATOM 141 C TYR A 11 4.025 -6.884 6.917 1.00 0.00 C ATOM 142 O TYR A 11 3.458 -5.803 7.065 1.00 0.00 O ATOM 143 CB TYR A 11 5.159 -6.974 4.694 1.00 0.00 C ATOM 144 CG TYR A 11 5.593 -7.904 3.593 1.00 0.00 C ATOM 145 CD1 TYR A 11 6.607 -8.817 3.820 1.00 0.00 C ATOM 146 CD2 TYR A 11 4.971 -7.856 2.357 1.00 0.00 C ATOM 147 CE1 TYR A 11 7.001 -9.678 2.811 1.00 0.00 C ATOM 148 CE2 TYR A 11 5.366 -8.718 1.350 1.00 0.00 C ATOM 149 CZ TYR A 11 6.379 -9.625 1.581 1.00 0.00 C ATOM 150 OH TYR A 11 6.772 -10.483 0.578 1.00 0.00 O ATOM 0 H TYR A 11 2.276 -6.552 5.112 1.00 0.00 H new ATOM 0 HA TYR A 11 4.247 -8.630 5.709 1.00 0.00 H new ATOM 0 HB2 TYR A 11 4.812 -6.037 4.258 1.00 0.00 H new ATOM 0 HB3 TYR A 11 6.017 -6.735 5.323 1.00 0.00 H new ATOM 0 HD1 TYR A 11 7.091 -8.858 4.785 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.177 -7.145 2.179 1.00 0.00 H new ATOM 0 HE1 TYR A 11 7.794 -10.390 2.986 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.882 -8.681 0.385 1.00 0.00 H new ATOM 0 HH TYR A 11 6.234 -10.317 -0.224 1.00 0.00 H new ATOM 160 N LYS A 12 4.642 -7.519 7.909 1.00 0.00 N ATOM 161 CA LYS A 12 4.684 -6.968 9.261 1.00 0.00 C ATOM 162 C LYS A 12 6.082 -6.450 9.582 1.00 0.00 C ATOM 163 O LYS A 12 7.053 -7.204 9.558 1.00 0.00 O ATOM 164 CB LYS A 12 4.281 -8.038 10.274 1.00 0.00 C ATOM 165 CG LYS A 12 3.239 -7.509 11.256 1.00 0.00 C ATOM 166 CD LYS A 12 1.828 -7.654 10.696 1.00 0.00 C ATOM 167 CE LYS A 12 1.028 -8.696 11.472 1.00 0.00 C ATOM 168 NZ LYS A 12 0.675 -8.205 12.833 1.00 0.00 N ATOM 0 H LYS A 12 5.119 -8.414 7.803 1.00 0.00 H new ATOM 0 HA LYS A 12 3.981 -6.137 9.320 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.882 -8.906 9.750 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.162 -8.374 10.821 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.316 -8.051 12.199 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.440 -6.460 11.474 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.316 -6.693 10.740 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.879 -7.940 9.645 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.118 -8.941 10.924 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.608 -9.615 11.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.019 -8.848 13.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.531 -8.172 13.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.266 -7.251 12.763 1.00 0.00 H new ATOM 182 N THR A 13 6.173 -5.158 9.882 1.00 0.00 N ATOM 183 CA THR A 13 7.451 -4.535 10.208 1.00 0.00 C ATOM 184 C THR A 13 7.746 -4.671 11.694 1.00 0.00 C ATOM 185 O THR A 13 6.846 -4.925 12.495 1.00 0.00 O ATOM 186 CB THR A 13 7.421 -3.059 9.826 1.00 0.00 C ATOM 187 OG1 THR A 13 6.081 -2.593 9.798 1.00 0.00 O ATOM 188 CG2 THR A 13 8.079 -2.839 8.467 1.00 0.00 C ATOM 0 H THR A 13 5.376 -4.522 9.906 1.00 0.00 H new ATOM 0 HA THR A 13 8.236 -5.040 9.645 1.00 0.00 H new ATOM 0 HB THR A 13 7.980 -2.497 10.574 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.070 -1.644 9.553 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.046 -1.779 8.214 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.116 -3.171 8.507 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.545 -3.410 7.707 1.00 0.00 H new ATOM 196 N ALA A 14 9.011 -4.494 12.059 1.00 0.00 N ATOM 197 CA ALA A 14 9.422 -4.588 13.455 1.00 0.00 C ATOM 198 C ALA A 14 8.587 -3.642 14.305 1.00 0.00 C ATOM 199 O ALA A 14 8.344 -3.897 15.484 1.00 0.00 O ATOM 200 CB ALA A 14 10.901 -4.240 13.588 1.00 0.00 C ATOM 0 H ALA A 14 9.769 -4.285 11.409 1.00 0.00 H new ATOM 0 HA ALA A 14 9.267 -5.609 13.803 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.199 -4.313 14.634 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.493 -4.935 12.993 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.069 -3.223 13.233 1.00 0.00 H new ATOM 206 N ASP A 15 8.146 -2.547 13.692 1.00 0.00 N ATOM 207 CA ASP A 15 7.333 -1.553 14.380 1.00 0.00 C ATOM 208 C ASP A 15 5.957 -2.123 14.705 1.00 0.00 C ATOM 209 O ASP A 15 5.293 -1.672 15.638 1.00 0.00 O ATOM 210 CB ASP A 15 7.191 -0.310 13.506 1.00 0.00 C ATOM 211 CG ASP A 15 8.524 0.419 13.405 1.00 0.00 C ATOM 212 OD1 ASP A 15 9.553 -0.252 13.179 1.00 0.00 O ATOM 213 OD2 ASP A 15 8.537 1.660 13.553 1.00 0.00 O ATOM 0 H ASP A 15 8.340 -2.326 12.715 1.00 0.00 H new ATOM 0 HA ASP A 15 7.825 -1.281 15.314 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.847 -0.594 12.511 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.436 0.354 13.926 1.00 0.00 H new ATOM 218 N GLY A 16 5.532 -3.120 13.931 1.00 0.00 N ATOM 219 CA GLY A 16 4.231 -3.751 14.142 1.00 0.00 C ATOM 220 C GLY A 16 3.171 -3.102 13.262 1.00 0.00 C ATOM 221 O GLY A 16 2.021 -2.943 13.674 1.00 0.00 O ATOM 0 H GLY A 16 6.068 -3.507 13.154 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.296 -4.815 13.917 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.944 -3.664 15.190 1.00 0.00 H new ATOM 225 N LYS A 17 3.562 -2.733 12.047 1.00 0.00 N ATOM 226 CA LYS A 17 2.642 -2.103 11.105 1.00 0.00 C ATOM 227 C LYS A 17 2.447 -2.986 9.881 1.00 0.00 C ATOM 228 O LYS A 17 3.353 -3.136 9.060 1.00 0.00 O ATOM 229 CB LYS A 17 3.172 -0.736 10.673 1.00 0.00 C ATOM 230 CG LYS A 17 2.300 0.386 11.223 1.00 0.00 C ATOM 231 CD LYS A 17 0.848 0.229 10.776 1.00 0.00 C ATOM 232 CE LYS A 17 0.489 1.217 9.668 1.00 0.00 C ATOM 233 NZ LYS A 17 0.638 2.626 10.131 1.00 0.00 N ATOM 0 H LYS A 17 4.509 -2.859 11.691 1.00 0.00 H new ATOM 0 HA LYS A 17 1.682 -1.970 11.604 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.196 -0.611 11.025 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.200 -0.680 9.585 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.350 0.388 12.312 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.685 1.348 10.885 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.684 -0.789 10.423 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.186 0.382 11.628 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.130 1.046 8.803 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.537 1.045 9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.052 3.228 9.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.470 2.674 11.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.600 2.960 9.922 1.00 0.00 H new ATOM 247 N THR A 18 1.259 -3.565 9.759 1.00 0.00 N ATOM 248 CA THR A 18 0.944 -4.428 8.628 1.00 0.00 C ATOM 249 C THR A 18 0.773 -3.597 7.365 1.00 0.00 C ATOM 250 O THR A 18 -0.295 -3.034 7.122 1.00 0.00 O ATOM 251 CB THR A 18 -0.334 -5.212 8.906 1.00 0.00 C ATOM 252 OG1 THR A 18 -0.443 -5.490 10.293 1.00 0.00 O ATOM 253 CG2 THR A 18 -0.358 -6.512 8.107 1.00 0.00 C ATOM 0 H THR A 18 0.498 -3.453 10.429 1.00 0.00 H new ATOM 0 HA THR A 18 1.767 -5.128 8.484 1.00 0.00 H new ATOM 0 HB THR A 18 -1.184 -4.604 8.596 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.267 -5.992 10.462 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.279 -7.054 8.322 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.310 -6.285 7.042 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.498 -7.126 8.386 1.00 0.00 H new ATOM 261 N TYR A 19 1.821 -3.537 6.552 1.00 0.00 N ATOM 262 CA TYR A 19 1.769 -2.784 5.304 1.00 0.00 C ATOM 263 C TYR A 19 1.486 -3.732 4.157 1.00 0.00 C ATOM 264 O TYR A 19 1.330 -4.937 4.366 1.00 0.00 O ATOM 265 CB TYR A 19 3.065 -2.010 5.057 1.00 0.00 C ATOM 266 CG TYR A 19 4.303 -2.868 4.989 1.00 0.00 C ATOM 267 CD1 TYR A 19 4.846 -3.401 6.144 1.00 0.00 C ATOM 268 CD2 TYR A 19 4.908 -3.111 3.769 1.00 0.00 C ATOM 269 CE1 TYR A 19 5.988 -4.179 6.078 1.00 0.00 C ATOM 270 CE2 TYR A 19 6.051 -3.890 3.703 1.00 0.00 C ATOM 271 CZ TYR A 19 6.586 -4.420 4.859 1.00 0.00 C ATOM 272 OH TYR A 19 7.722 -5.193 4.795 1.00 0.00 O ATOM 0 H TYR A 19 2.713 -3.998 6.733 1.00 0.00 H new ATOM 0 HA TYR A 19 0.966 -2.050 5.377 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.970 -1.457 4.123 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.191 -1.275 5.852 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.378 -3.210 7.098 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.488 -2.692 2.866 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.411 -4.597 6.980 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.522 -4.082 2.750 1.00 0.00 H new ATOM 0 HH TYR A 19 8.016 -5.266 3.863 1.00 0.00 H new ATOM 282 N TYR A 20 1.397 -3.200 2.947 1.00 0.00 N ATOM 283 CA TYR A 20 1.103 -4.036 1.791 1.00 0.00 C ATOM 284 C TYR A 20 2.158 -3.871 0.705 1.00 0.00 C ATOM 285 O TYR A 20 2.888 -2.879 0.681 1.00 0.00 O ATOM 286 CB TYR A 20 -0.282 -3.700 1.255 1.00 0.00 C ATOM 287 CG TYR A 20 -1.331 -3.755 2.334 1.00 0.00 C ATOM 288 CD1 TYR A 20 -1.885 -4.971 2.697 1.00 0.00 C ATOM 289 CD2 TYR A 20 -1.733 -2.596 2.972 1.00 0.00 C ATOM 290 CE1 TYR A 20 -2.841 -5.025 3.698 1.00 0.00 C ATOM 291 CE2 TYR A 20 -2.690 -2.652 3.972 1.00 0.00 C ATOM 292 CZ TYR A 20 -3.238 -3.865 4.331 1.00 0.00 C ATOM 293 OH TYR A 20 -4.189 -3.919 5.324 1.00 0.00 O ATOM 0 H TYR A 20 1.522 -2.209 2.741 1.00 0.00 H new ATOM 0 HA TYR A 20 1.120 -5.080 2.105 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.268 -2.704 0.813 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -0.543 -4.398 0.460 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.572 -5.877 2.200 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.301 -1.647 2.691 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.274 -5.972 3.982 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.006 -1.747 4.469 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.355 -3.016 5.667 1.00 0.00 H new ATOM 303 N TYR A 21 2.238 -4.856 -0.190 1.00 0.00 N ATOM 304 CA TYR A 21 3.213 -4.820 -1.274 1.00 0.00 C ATOM 305 C TYR A 21 2.607 -5.365 -2.557 1.00 0.00 C ATOM 306 O TYR A 21 2.359 -6.564 -2.678 1.00 0.00 O ATOM 307 CB TYR A 21 4.455 -5.644 -0.888 1.00 0.00 C ATOM 308 CG TYR A 21 5.351 -5.994 -2.064 1.00 0.00 C ATOM 309 CD1 TYR A 21 5.065 -7.102 -2.850 1.00 0.00 C ATOM 310 CD2 TYR A 21 6.455 -5.210 -2.361 1.00 0.00 C ATOM 311 CE1 TYR A 21 5.879 -7.423 -3.923 1.00 0.00 C ATOM 312 CE2 TYR A 21 7.266 -5.534 -3.434 1.00 0.00 C ATOM 313 CZ TYR A 21 6.975 -6.638 -4.210 1.00 0.00 C ATOM 314 OH TYR A 21 7.783 -6.957 -5.278 1.00 0.00 O ATOM 0 H TYR A 21 1.642 -5.683 -0.184 1.00 0.00 H new ATOM 0 HA TYR A 21 3.507 -3.784 -1.443 1.00 0.00 H new ATOM 0 HB2 TYR A 21 5.036 -5.085 -0.155 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.132 -6.565 -0.403 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.205 -7.715 -2.624 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.682 -4.346 -1.754 1.00 0.00 H new ATOM 0 HE1 TYR A 21 5.656 -8.286 -4.533 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.126 -4.923 -3.664 1.00 0.00 H new ATOM 0 HH TYR A 21 7.439 -7.761 -5.720 1.00 0.00 H new ATOM 324 N ASN A 22 2.412 -4.489 -3.531 1.00 0.00 N ATOM 325 CA ASN A 22 1.887 -4.908 -4.816 1.00 0.00 C ATOM 326 C ASN A 22 2.984 -5.677 -5.528 1.00 0.00 C ATOM 327 O ASN A 22 4.076 -5.152 -5.722 1.00 0.00 O ATOM 328 CB ASN A 22 1.466 -3.696 -5.642 1.00 0.00 C ATOM 329 CG ASN A 22 0.809 -4.147 -6.939 1.00 0.00 C ATOM 330 OD1 ASN A 22 1.482 -4.612 -7.859 1.00 0.00 O ATOM 331 ND2 ASN A 22 -0.509 -4.008 -7.014 1.00 0.00 N ATOM 0 H ASN A 22 2.609 -3.491 -3.455 1.00 0.00 H new ATOM 0 HA ASN A 22 1.006 -5.535 -4.681 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.773 -3.080 -5.070 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.336 -3.077 -5.862 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.004 -4.292 -7.859 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.026 -3.618 -6.226 1.00 0.00 H new ATOM 338 N ASN A 23 2.710 -6.927 -5.879 1.00 0.00 N ATOM 339 CA ASN A 23 3.706 -7.771 -6.537 1.00 0.00 C ATOM 340 C ASN A 23 3.847 -7.400 -8.001 1.00 0.00 C ATOM 341 O ASN A 23 4.913 -6.976 -8.447 1.00 0.00 O ATOM 342 CB ASN A 23 3.335 -9.250 -6.439 1.00 0.00 C ATOM 343 CG ASN A 23 2.559 -9.550 -5.164 1.00 0.00 C ATOM 344 OD1 ASN A 23 1.242 -9.431 -5.248 1.00 0.00 O flip ATOM 345 ND2 ASN A 23 3.138 -9.883 -4.131 1.00 0.00 N flip ATOM 0 H ASN A 23 1.810 -7.380 -5.721 1.00 0.00 H new ATOM 0 HA ASN A 23 4.653 -7.605 -6.023 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.737 -9.534 -7.305 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.241 -9.855 -6.465 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.155 -9.960 -4.119 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.601 -10.082 -3.287 1.00 0.00 H new ATOM 352 N ARG A 24 2.765 -7.584 -8.751 1.00 0.00 N ATOM 353 CA ARG A 24 2.752 -7.293 -10.182 1.00 0.00 C ATOM 354 C ARG A 24 3.491 -5.992 -10.489 1.00 0.00 C ATOM 355 O ARG A 24 4.068 -5.834 -11.566 1.00 0.00 O ATOM 356 CB ARG A 24 1.314 -7.201 -10.681 1.00 0.00 C ATOM 357 CG ARG A 24 0.897 -8.476 -11.410 1.00 0.00 C ATOM 358 CD ARG A 24 0.416 -9.547 -10.434 1.00 0.00 C ATOM 359 NE ARG A 24 1.149 -10.794 -10.640 1.00 0.00 N ATOM 360 CZ ARG A 24 0.522 -11.956 -10.798 1.00 0.00 C ATOM 361 NH1 ARG A 24 0.271 -12.724 -9.748 1.00 0.00 N ATOM 362 NH2 ARG A 24 0.145 -12.348 -12.007 1.00 0.00 N ATOM 0 H ARG A 24 1.879 -7.936 -8.389 1.00 0.00 H new ATOM 0 HA ARG A 24 3.265 -8.105 -10.697 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.645 -7.026 -9.838 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.213 -6.347 -11.351 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.103 -8.247 -12.121 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.739 -8.859 -11.986 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.554 -9.202 -9.409 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.652 -9.719 -10.571 1.00 0.00 H new ATOM 0 HE ARG A 24 2.169 -10.773 -10.663 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.559 -12.424 -8.816 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.210 -13.615 -9.871 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.336 -11.758 -12.817 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.336 -13.239 -12.127 1.00 0.00 H new ATOM 376 N THR A 25 3.462 -5.063 -9.540 1.00 0.00 N ATOM 377 CA THR A 25 4.116 -3.775 -9.705 1.00 0.00 C ATOM 378 C THR A 25 5.316 -3.642 -8.777 1.00 0.00 C ATOM 379 O THR A 25 6.196 -2.813 -9.002 1.00 0.00 O ATOM 380 CB THR A 25 3.116 -2.666 -9.417 1.00 0.00 C ATOM 381 OG1 THR A 25 2.906 -2.556 -8.017 1.00 0.00 O ATOM 382 CG2 THR A 25 1.788 -2.933 -10.126 1.00 0.00 C ATOM 0 H THR A 25 2.989 -5.181 -8.644 1.00 0.00 H new ATOM 0 HA THR A 25 4.475 -3.697 -10.731 1.00 0.00 H new ATOM 0 HB THR A 25 3.523 -1.728 -9.795 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.262 -1.839 -7.838 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.089 -2.126 -9.905 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.954 -2.985 -11.202 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.373 -3.879 -9.777 1.00 0.00 H new ATOM 390 N LEU A 26 5.341 -4.455 -7.731 1.00 0.00 N ATOM 391 CA LEU A 26 6.425 -4.424 -6.758 1.00 0.00 C ATOM 392 C LEU A 26 6.442 -3.082 -6.045 1.00 0.00 C ATOM 393 O LEU A 26 7.501 -2.503 -5.807 1.00 0.00 O ATOM 394 CB LEU A 26 7.757 -4.673 -7.456 1.00 0.00 C ATOM 395 CG LEU A 26 7.774 -6.057 -8.089 1.00 0.00 C ATOM 396 CD1 LEU A 26 7.465 -5.966 -9.575 1.00 0.00 C ATOM 397 CD2 LEU A 26 9.117 -6.740 -7.852 1.00 0.00 C ATOM 0 H LEU A 26 4.619 -5.148 -7.533 1.00 0.00 H new ATOM 0 HA LEU A 26 6.266 -5.210 -6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.921 -3.914 -8.221 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.573 -4.584 -6.739 1.00 0.00 H new ATOM 0 HG LEU A 26 7.000 -6.663 -7.617 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.481 -6.965 -10.012 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.478 -5.525 -9.715 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.214 -5.343 -10.065 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.109 -7.728 -8.312 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.913 -6.140 -8.294 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.290 -6.840 -6.781 1.00 0.00 H new ATOM 409 N GLU A 27 5.253 -2.596 -5.711 1.00 0.00 N ATOM 410 CA GLU A 27 5.112 -1.317 -5.024 1.00 0.00 C ATOM 411 C GLU A 27 4.546 -1.514 -3.621 1.00 0.00 C ATOM 412 O GLU A 27 3.475 -2.097 -3.450 1.00 0.00 O ATOM 413 CB GLU A 27 4.199 -0.395 -5.827 1.00 0.00 C ATOM 414 CG GLU A 27 4.028 0.957 -5.139 1.00 0.00 C ATOM 415 CD GLU A 27 3.073 1.837 -5.937 1.00 0.00 C ATOM 416 OE1 GLU A 27 3.326 2.049 -7.141 1.00 0.00 O ATOM 417 OE2 GLU A 27 2.076 2.312 -5.355 1.00 0.00 O ATOM 0 H GLU A 27 4.370 -3.069 -5.905 1.00 0.00 H new ATOM 0 HA GLU A 27 6.099 -0.863 -4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.614 -0.248 -6.824 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.224 -0.866 -5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.644 0.813 -4.129 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.995 1.450 -5.045 1.00 0.00 H new ATOM 424 N SER A 28 5.270 -1.018 -2.622 1.00 0.00 N ATOM 425 CA SER A 28 4.837 -1.130 -1.230 1.00 0.00 C ATOM 426 C SER A 28 4.118 0.141 -0.805 1.00 0.00 C ATOM 427 O SER A 28 4.397 1.222 -1.322 1.00 0.00 O ATOM 428 CB SER A 28 6.041 -1.370 -0.325 1.00 0.00 C ATOM 429 OG SER A 28 6.081 -2.722 0.104 1.00 0.00 O ATOM 0 H SER A 28 6.159 -0.535 -2.749 1.00 0.00 H new ATOM 0 HA SER A 28 4.152 -1.973 -1.141 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.959 -1.125 -0.859 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.990 -0.709 0.541 1.00 0.00 H new ATOM 0 HG SER A 28 6.860 -2.859 0.682 1.00 0.00 H new ATOM 435 N THR A 29 3.186 0.012 0.135 1.00 0.00 N ATOM 436 CA THR A 29 2.430 1.167 0.613 1.00 0.00 C ATOM 437 C THR A 29 1.959 0.963 2.046 1.00 0.00 C ATOM 438 O THR A 29 1.718 -0.165 2.488 1.00 0.00 O ATOM 439 CB THR A 29 1.231 1.414 -0.296 1.00 0.00 C ATOM 440 OG1 THR A 29 0.596 2.633 0.061 1.00 0.00 O ATOM 441 CG2 THR A 29 0.235 0.261 -0.208 1.00 0.00 C ATOM 0 H THR A 29 2.937 -0.872 0.578 1.00 0.00 H new ATOM 0 HA THR A 29 3.088 2.035 0.592 1.00 0.00 H new ATOM 0 HB THR A 29 1.587 1.481 -1.324 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.172 2.786 -0.528 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.611 0.460 -0.865 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.722 -0.665 -0.514 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.118 0.163 0.819 1.00 0.00 H new ATOM 449 N TRP A 30 1.828 2.076 2.765 1.00 0.00 N ATOM 450 CA TRP A 30 1.382 2.070 4.148 1.00 0.00 C ATOM 451 C TRP A 30 -0.127 2.260 4.206 1.00 0.00 C ATOM 452 O TRP A 30 -0.798 1.754 5.107 1.00 0.00 O ATOM 453 CB TRP A 30 2.071 3.204 4.894 1.00 0.00 C ATOM 454 CG TRP A 30 3.541 2.971 5.065 1.00 0.00 C ATOM 455 CD1 TRP A 30 4.562 3.681 4.491 1.00 0.00 C ATOM 456 CD2 TRP A 30 4.158 1.947 5.863 1.00 0.00 C ATOM 457 NE1 TRP A 30 5.753 3.146 4.902 1.00 0.00 N ATOM 458 CE2 TRP A 30 5.544 2.090 5.734 1.00 0.00 C ATOM 459 CE3 TRP A 30 3.669 0.923 6.674 1.00 0.00 C ATOM 460 CZ2 TRP A 30 6.433 1.250 6.386 1.00 0.00 C ATOM 461 CZ3 TRP A 30 4.553 0.078 7.328 1.00 0.00 C ATOM 462 CH2 TRP A 30 5.923 0.238 7.185 1.00 0.00 C ATOM 0 H TRP A 30 2.030 3.007 2.400 1.00 0.00 H new ATOM 0 HA TRP A 30 1.635 1.116 4.610 1.00 0.00 H new ATOM 0 HB2 TRP A 30 1.915 4.137 4.353 1.00 0.00 H new ATOM 0 HB3 TRP A 30 1.609 3.323 5.874 1.00 0.00 H new ATOM 0 HD1 TRP A 30 4.447 4.523 3.825 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.671 3.492 4.623 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.604 0.788 6.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 7.499 1.381 6.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 4.170 -0.713 7.956 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.598 -0.430 7.700 1.00 0.00 H new ATOM 473 N GLU A 31 -0.650 3.001 3.235 1.00 0.00 N ATOM 474 CA GLU A 31 -2.081 3.282 3.152 1.00 0.00 C ATOM 475 C GLU A 31 -2.781 2.201 2.340 1.00 0.00 C ATOM 476 O GLU A 31 -2.683 2.167 1.113 1.00 0.00 O ATOM 477 CB GLU A 31 -2.297 4.661 2.505 1.00 0.00 C ATOM 478 CG GLU A 31 -3.765 4.924 2.163 1.00 0.00 C ATOM 479 CD GLU A 31 -4.190 6.290 2.685 1.00 0.00 C ATOM 480 OE1 GLU A 31 -3.400 7.248 2.557 1.00 0.00 O ATOM 481 OE2 GLU A 31 -5.314 6.399 3.219 1.00 0.00 O ATOM 0 H GLU A 31 -0.099 3.422 2.487 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.506 3.289 4.156 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.941 5.437 3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.698 4.731 1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.908 4.878 1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.393 4.148 2.601 1.00 0.00 H new ATOM 488 N LYS A 32 -3.498 1.326 3.036 1.00 0.00 N ATOM 489 CA LYS A 32 -4.236 0.237 2.387 1.00 0.00 C ATOM 490 C LYS A 32 -5.049 0.781 1.212 1.00 0.00 C ATOM 491 O LYS A 32 -5.694 1.822 1.328 1.00 0.00 O ATOM 492 CB LYS A 32 -5.170 -0.422 3.399 1.00 0.00 C ATOM 493 CG LYS A 32 -5.824 -1.678 2.822 1.00 0.00 C ATOM 494 CD LYS A 32 -7.152 -1.979 3.510 1.00 0.00 C ATOM 495 CE LYS A 32 -6.957 -2.259 4.998 1.00 0.00 C ATOM 496 NZ LYS A 32 -8.253 -2.207 5.734 1.00 0.00 N ATOM 0 H LYS A 32 -3.587 1.346 4.052 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.526 -0.502 2.014 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.610 -0.682 4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.942 0.287 3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.988 -1.546 1.752 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.151 -2.527 2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.829 -1.134 3.383 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.623 -2.840 3.035 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.501 -3.241 5.129 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.267 -1.528 5.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.088 -2.401 6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.675 -1.262 5.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.902 -2.921 5.346 1.00 0.00 H new ATOM 510 N PRO A 33 -5.030 0.081 0.065 1.00 0.00 N ATOM 511 CA PRO A 33 -5.771 0.502 -1.125 1.00 0.00 C ATOM 512 C PRO A 33 -7.234 0.080 -1.046 1.00 0.00 C ATOM 513 O PRO A 33 -7.575 -0.867 -0.335 1.00 0.00 O ATOM 514 CB PRO A 33 -5.041 -0.190 -2.269 1.00 0.00 C ATOM 515 CG PRO A 33 -4.357 -1.379 -1.667 1.00 0.00 C ATOM 516 CD PRO A 33 -4.299 -1.173 -0.168 1.00 0.00 C ATOM 0 HA PRO A 33 -5.799 1.585 -1.246 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.739 -0.495 -3.049 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -4.319 0.481 -2.733 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.900 -2.293 -1.906 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.353 -1.489 -2.076 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.760 -2.005 0.364 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.269 -1.102 0.182 1.00 0.00 H new ATOM 524 N GLN A 34 -8.104 0.794 -1.754 1.00 0.00 N ATOM 525 CA GLN A 34 -9.538 0.497 -1.734 1.00 0.00 C ATOM 526 C GLN A 34 -9.853 -0.804 -2.472 1.00 0.00 C ATOM 527 O GLN A 34 -10.638 -0.811 -3.419 1.00 0.00 O ATOM 528 CB GLN A 34 -10.325 1.649 -2.375 1.00 0.00 C ATOM 529 CG GLN A 34 -10.442 2.872 -1.457 1.00 0.00 C ATOM 530 CD GLN A 34 -10.660 4.127 -2.291 1.00 0.00 C ATOM 531 OE1 GLN A 34 -11.613 4.212 -3.067 1.00 0.00 O ATOM 532 NE2 GLN A 34 -9.777 5.105 -2.131 1.00 0.00 N ATOM 0 H GLN A 34 -7.845 1.581 -2.348 1.00 0.00 H new ATOM 0 HA GLN A 34 -9.835 0.381 -0.692 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.837 1.943 -3.304 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.324 1.300 -2.636 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.271 2.738 -0.762 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.537 2.976 -0.858 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.003 4.991 -1.477 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.873 5.970 -2.662 1.00 0.00 H new ATOM 541 N GLU A 35 -9.254 -1.908 -2.025 1.00 0.00 N ATOM 542 CA GLU A 35 -9.497 -3.210 -2.640 1.00 0.00 C ATOM 543 C GLU A 35 -8.760 -4.319 -1.885 1.00 0.00 C ATOM 544 O GLU A 35 -8.324 -5.303 -2.480 1.00 0.00 O ATOM 545 CB GLU A 35 -9.106 -3.160 -4.122 1.00 0.00 C ATOM 546 CG GLU A 35 -7.635 -3.533 -4.375 1.00 0.00 C ATOM 547 CD GLU A 35 -7.545 -4.909 -5.016 1.00 0.00 C ATOM 548 OE1 GLU A 35 -8.076 -5.083 -6.133 1.00 0.00 O ATOM 549 OE2 GLU A 35 -6.941 -5.813 -4.402 1.00 0.00 O ATOM 0 H GLU A 35 -8.600 -1.926 -1.243 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.560 -3.445 -2.579 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.748 -3.839 -4.683 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.291 -2.157 -4.506 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.170 -2.790 -5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.083 -3.525 -3.435 1.00 0.00 H new ATOM 556 N LEU A 36 -8.626 -4.149 -0.575 1.00 0.00 N ATOM 557 CA LEU A 36 -7.939 -5.129 0.256 1.00 0.00 C ATOM 558 C LEU A 36 -8.499 -5.114 1.672 1.00 0.00 C ATOM 559 O LEU A 36 -7.746 -5.121 2.646 1.00 0.00 O ATOM 560 CB LEU A 36 -6.448 -4.822 0.282 1.00 0.00 C ATOM 561 CG LEU A 36 -5.654 -5.991 0.851 1.00 0.00 C ATOM 562 CD1 LEU A 36 -5.934 -7.264 0.058 1.00 0.00 C ATOM 563 CD2 LEU A 36 -4.165 -5.671 0.843 1.00 0.00 C ATOM 0 H LEU A 36 -8.984 -3.341 -0.066 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.096 -6.121 -0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.102 -4.601 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.268 -3.930 0.883 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.967 -6.155 1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.358 -8.089 0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.997 -7.499 0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.647 -7.115 -0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.609 -6.515 1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.839 -5.483 -0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.980 -4.785 1.451 1.00 0.00 H new ATOM 575 N LYS A 37 -9.822 -5.094 1.784 1.00 0.00 N ATOM 576 CA LYS A 37 -10.480 -5.078 3.086 1.00 0.00 C ATOM 577 C LYS A 37 -11.136 -6.424 3.366 1.00 0.00 C ATOM 578 O LYS A 37 -11.901 -6.522 4.348 1.00 0.00 O ATOM 579 CB LYS A 37 -11.530 -3.970 3.129 1.00 0.00 C ATOM 580 CG LYS A 37 -10.971 -2.653 2.599 1.00 0.00 C ATOM 581 CD LYS A 37 -11.609 -1.460 3.306 1.00 0.00 C ATOM 582 CE LYS A 37 -11.744 -0.262 2.368 1.00 0.00 C ATOM 583 NZ LYS A 37 -12.550 0.825 2.992 1.00 0.00 N ATOM 584 OXT LYS A 37 -10.884 -7.379 2.601 1.00 0.00 O ATOM 0 H LYS A 37 -10.461 -5.088 0.989 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.729 -4.888 3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.396 -4.264 2.536 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.876 -3.834 4.154 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.891 -2.629 2.742 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.152 -2.583 1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.592 -1.742 3.682 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.005 -1.181 4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.754 0.117 2.113 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.214 -0.578 1.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.624 1.625 2.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.502 0.469 3.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.087 1.141 3.868 1.00 0.00 H new TER 598 LYS A 37