USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 263 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 Single : A 1 LYS N :NH3+ -174:sc= 0 (180deg=-0.0405) USER MOD Single : A 1 LYS NZ :NH3+ 144:sc= 1.09 (180deg=-0.466) USER MOD Single : A 10 SER OG : rot 1:sc= 0.145 USER MOD Single : A 13 SER OG : rot -62:sc= 0.169 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 157:sc= 1.2 (180deg=0.949) USER MOD Single : A 21 TYR OH : rot -30:sc= 1.22 USER MOD Single : A 24 SER OG : rot -5:sc= -2.78! USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -68:sc= 1.04 USER MOD Single : A 36 LYS NZ :NH3+ 157:sc= 1.23 (180deg=0.91) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -14.691 -2.620 0.209 1.00 0.00 N ATOM 2 CA LYS A 1 -13.710 -1.978 -0.693 1.00 0.00 C ATOM 3 C LYS A 1 -12.298 -2.261 -0.219 1.00 0.00 C ATOM 4 O LYS A 1 -12.035 -2.224 0.980 1.00 0.00 O ATOM 5 CB LYS A 1 -13.929 -0.462 -0.687 1.00 0.00 C ATOM 6 CG LYS A 1 -15.241 0.004 -1.294 1.00 0.00 C ATOM 7 CD LYS A 1 -15.365 1.519 -1.199 1.00 0.00 C ATOM 8 CE LYS A 1 -14.247 2.217 -1.963 1.00 0.00 C ATOM 9 NZ LYS A 1 -13.930 3.558 -1.402 1.00 0.00 N ATOM 0 H1 LYS A 1 -15.648 -2.505 -0.181 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.472 -3.633 0.296 1.00 0.00 H new ATOM 0 H3 LYS A 1 -14.644 -2.174 1.147 1.00 0.00 H new ATOM 0 HA LYS A 1 -13.846 -2.378 -1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -13.877 -0.108 0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -13.109 0.010 -1.228 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -15.296 -0.306 -2.337 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -16.076 -0.468 -0.776 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -16.330 1.832 -1.597 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -15.338 1.823 -0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -13.352 1.596 -1.940 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -14.536 2.322 -3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -12.907 3.731 -1.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -14.442 4.288 -1.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -14.219 3.594 -0.404 1.00 0.00 H new ATOM 25 N CYS A 2 -11.397 -2.514 -1.151 1.00 0.00 N ATOM 26 CA CYS A 2 -10.012 -2.758 -0.807 1.00 0.00 C ATOM 27 C CYS A 2 -9.121 -2.555 -2.015 1.00 0.00 C ATOM 28 O CYS A 2 -9.541 -2.738 -3.157 1.00 0.00 O ATOM 29 CB CYS A 2 -9.793 -4.142 -0.188 1.00 0.00 C ATOM 30 SG CYS A 2 -10.156 -5.555 -1.274 1.00 0.00 S ATOM 0 H CYS A 2 -11.601 -2.555 -2.150 1.00 0.00 H new ATOM 0 HA CYS A 2 -9.739 -2.030 -0.043 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -8.755 -4.214 0.138 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -10.414 -4.224 0.704 1.00 0.00 H new ATOM 35 N LEU A 3 -7.905 -2.138 -1.740 1.00 0.00 N ATOM 36 CA LEU A 3 -6.920 -1.862 -2.771 1.00 0.00 C ATOM 37 C LEU A 3 -6.171 -3.129 -3.177 1.00 0.00 C ATOM 38 O LEU A 3 -5.773 -3.920 -2.328 1.00 0.00 O ATOM 39 CB LEU A 3 -5.954 -0.805 -2.255 1.00 0.00 C ATOM 40 CG LEU A 3 -6.603 0.546 -1.944 1.00 0.00 C ATOM 41 CD1 LEU A 3 -5.586 1.504 -1.356 1.00 0.00 C ATOM 42 CD2 LEU A 3 -7.232 1.142 -3.196 1.00 0.00 C ATOM 0 H LEU A 3 -7.567 -1.979 -0.791 1.00 0.00 H new ATOM 0 HA LEU A 3 -7.428 -1.492 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.473 -1.180 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.169 -0.655 -2.996 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.390 0.383 -1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.067 2.459 -1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.183 1.086 -0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.776 1.658 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.688 2.102 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.464 1.287 -3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.996 0.464 -3.577 1.00 0.00 H new ATOM 54 N ALA A 4 -5.985 -3.320 -4.474 1.00 0.00 N ATOM 55 CA ALA A 4 -5.296 -4.504 -4.977 1.00 0.00 C ATOM 56 C ALA A 4 -3.781 -4.379 -4.828 1.00 0.00 C ATOM 57 O ALA A 4 -3.279 -3.449 -4.190 1.00 0.00 O ATOM 58 CB ALA A 4 -5.667 -4.747 -6.432 1.00 0.00 C ATOM 0 H ALA A 4 -6.300 -2.674 -5.198 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.617 -5.357 -4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.147 -5.633 -6.797 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.743 -4.899 -6.513 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.377 -3.884 -7.031 1.00 0.00 H new ATOM 64 N GLU A 5 -3.056 -5.324 -5.413 1.00 0.00 N ATOM 65 CA GLU A 5 -1.610 -5.326 -5.343 1.00 0.00 C ATOM 66 C GLU A 5 -1.013 -4.259 -6.245 1.00 0.00 C ATOM 67 O GLU A 5 -1.471 -4.039 -7.368 1.00 0.00 O ATOM 68 CB GLU A 5 -1.049 -6.705 -5.692 1.00 0.00 C ATOM 69 CG GLU A 5 -1.493 -7.236 -7.043 1.00 0.00 C ATOM 70 CD GLU A 5 -0.946 -8.621 -7.315 1.00 0.00 C ATOM 71 OE1 GLU A 5 -1.289 -9.551 -6.553 1.00 0.00 O ATOM 72 OE2 GLU A 5 -0.164 -8.772 -8.272 1.00 0.00 O ATOM 0 H GLU A 5 -3.453 -6.100 -5.942 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.328 -5.092 -4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 5 0.040 -6.657 -5.674 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.350 -7.413 -4.920 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.582 -7.262 -7.082 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.162 -6.555 -7.827 1.00 0.00 H new ATOM 79 N ALA A 6 -0.010 -3.584 -5.708 1.00 0.00 N ATOM 80 CA ALA A 6 0.687 -2.498 -6.386 1.00 0.00 C ATOM 81 C ALA A 6 -0.260 -1.345 -6.669 1.00 0.00 C ATOM 82 O ALA A 6 -0.183 -0.702 -7.714 1.00 0.00 O ATOM 83 CB ALA A 6 1.358 -2.987 -7.664 1.00 0.00 C ATOM 0 H ALA A 6 0.350 -3.777 -4.773 1.00 0.00 H new ATOM 0 HA ALA A 6 1.471 -2.134 -5.722 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.870 -2.155 -8.148 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.081 -3.765 -7.420 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.604 -3.391 -8.339 1.00 0.00 H new ATOM 89 N ALA A 7 -1.148 -1.084 -5.721 1.00 0.00 N ATOM 90 CA ALA A 7 -2.111 0.002 -5.867 1.00 0.00 C ATOM 91 C ALA A 7 -1.779 1.133 -4.910 1.00 0.00 C ATOM 92 O ALA A 7 -1.415 0.883 -3.770 1.00 0.00 O ATOM 93 CB ALA A 7 -3.526 -0.502 -5.626 1.00 0.00 C ATOM 0 H ALA A 7 -1.223 -1.605 -4.847 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.052 0.382 -6.887 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.230 0.322 -5.739 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.762 -1.283 -6.349 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.601 -0.907 -4.617 1.00 0.00 H new ATOM 99 N ASP A 8 -1.905 2.368 -5.371 1.00 0.00 N ATOM 100 CA ASP A 8 -1.615 3.530 -4.534 1.00 0.00 C ATOM 101 C ASP A 8 -2.529 3.559 -3.313 1.00 0.00 C ATOM 102 O ASP A 8 -3.658 3.070 -3.356 1.00 0.00 O ATOM 103 CB ASP A 8 -1.749 4.826 -5.344 1.00 0.00 C ATOM 104 CG ASP A 8 -3.138 5.026 -5.923 1.00 0.00 C ATOM 105 OD1 ASP A 8 -4.046 5.444 -5.175 1.00 0.00 O ATOM 106 OD2 ASP A 8 -3.318 4.748 -7.127 1.00 0.00 O ATOM 0 H ASP A 8 -2.206 2.595 -6.319 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.586 3.450 -4.185 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.503 5.674 -4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.021 4.817 -6.156 1.00 0.00 H new ATOM 111 N CYS A 9 -2.030 4.111 -2.216 1.00 0.00 N ATOM 112 CA CYS A 9 -2.805 4.179 -0.986 1.00 0.00 C ATOM 113 C CYS A 9 -2.363 5.354 -0.124 1.00 0.00 C ATOM 114 O CYS A 9 -1.580 6.202 -0.556 1.00 0.00 O ATOM 115 CB CYS A 9 -2.674 2.870 -0.195 1.00 0.00 C ATOM 116 SG CYS A 9 -0.954 2.349 0.115 1.00 0.00 S ATOM 0 H CYS A 9 -1.096 4.516 -2.153 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.850 4.326 -1.258 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.185 2.984 0.761 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.189 2.078 -0.738 1.00 0.00 H new ATOM 121 N SER A 10 -2.868 5.394 1.098 1.00 0.00 N ATOM 122 CA SER A 10 -2.546 6.447 2.042 1.00 0.00 C ATOM 123 C SER A 10 -2.729 5.927 3.460 1.00 0.00 C ATOM 124 O SER A 10 -3.615 5.116 3.718 1.00 0.00 O ATOM 125 CB SER A 10 -3.428 7.674 1.803 1.00 0.00 C ATOM 126 OG SER A 10 -3.184 8.239 0.526 1.00 0.00 O ATOM 0 H SER A 10 -3.514 4.694 1.463 1.00 0.00 H new ATOM 0 HA SER A 10 -1.508 6.747 1.901 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.478 7.392 1.884 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.237 8.419 2.576 1.00 0.00 H new ATOM 0 HG SER A 10 -2.506 7.709 0.058 1.00 0.00 H new ATOM 132 N PRO A 11 -1.868 6.374 4.384 1.00 0.00 N ATOM 133 CA PRO A 11 -1.893 5.949 5.790 1.00 0.00 C ATOM 134 C PRO A 11 -3.248 6.153 6.471 1.00 0.00 C ATOM 135 O PRO A 11 -3.654 5.342 7.300 1.00 0.00 O ATOM 136 CB PRO A 11 -0.823 6.829 6.456 1.00 0.00 C ATOM 137 CG PRO A 11 -0.522 7.907 5.468 1.00 0.00 C ATOM 138 CD PRO A 11 -0.773 7.312 4.120 1.00 0.00 C ATOM 0 HA PRO A 11 -1.707 4.878 5.875 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.187 7.247 7.394 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.071 6.251 6.690 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.157 8.777 5.635 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.511 8.243 5.560 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.055 8.069 3.389 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.110 6.805 3.730 1.00 0.00 H new ATOM 146 N TRP A 12 -3.941 7.237 6.135 1.00 0.00 N ATOM 147 CA TRP A 12 -5.239 7.513 6.745 1.00 0.00 C ATOM 148 C TRP A 12 -6.308 7.784 5.691 1.00 0.00 C ATOM 149 O TRP A 12 -7.364 7.159 5.686 1.00 0.00 O ATOM 150 CB TRP A 12 -5.151 8.719 7.691 1.00 0.00 C ATOM 151 CG TRP A 12 -4.066 8.614 8.721 1.00 0.00 C ATOM 152 CD1 TRP A 12 -4.108 7.910 9.889 1.00 0.00 C ATOM 153 CD2 TRP A 12 -2.788 9.260 8.686 1.00 0.00 C ATOM 154 NE1 TRP A 12 -2.926 8.063 10.573 1.00 0.00 N ATOM 155 CE2 TRP A 12 -2.100 8.889 9.856 1.00 0.00 C ATOM 156 CE3 TRP A 12 -2.154 10.110 7.773 1.00 0.00 C ATOM 157 CZ2 TRP A 12 -0.813 9.340 10.139 1.00 0.00 C ATOM 158 CZ3 TRP A 12 -0.877 10.557 8.056 1.00 0.00 C ATOM 159 CH2 TRP A 12 -0.219 10.171 9.230 1.00 0.00 C ATOM 0 H TRP A 12 -3.632 7.930 5.454 1.00 0.00 H new ATOM 0 HA TRP A 12 -5.521 6.624 7.310 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -4.989 9.620 7.099 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -6.108 8.839 8.199 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.947 7.319 10.226 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.700 7.632 11.469 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -2.653 10.411 6.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -0.303 9.044 11.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -0.378 11.215 7.360 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.779 10.537 9.422 1.00 0.00 H new ATOM 170 N SER A 13 -6.034 8.737 4.812 1.00 0.00 N ATOM 171 CA SER A 13 -6.976 9.116 3.765 1.00 0.00 C ATOM 172 C SER A 13 -6.929 8.142 2.584 1.00 0.00 C ATOM 173 O SER A 13 -6.606 8.532 1.463 1.00 0.00 O ATOM 174 CB SER A 13 -6.678 10.546 3.296 1.00 0.00 C ATOM 175 OG SER A 13 -7.630 10.989 2.345 1.00 0.00 O ATOM 0 H SER A 13 -5.162 9.266 4.802 1.00 0.00 H new ATOM 0 HA SER A 13 -7.983 9.074 4.180 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.678 11.219 4.154 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.680 10.586 2.860 1.00 0.00 H new ATOM 0 HG SER A 13 -7.593 10.414 1.553 1.00 0.00 H new ATOM 181 N GLY A 14 -7.248 6.878 2.834 1.00 0.00 N ATOM 182 CA GLY A 14 -7.227 5.896 1.769 1.00 0.00 C ATOM 183 C GLY A 14 -7.890 4.593 2.160 1.00 0.00 C ATOM 184 O GLY A 14 -7.887 4.217 3.332 1.00 0.00 O ATOM 0 H GLY A 14 -7.519 6.518 3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.730 6.306 0.893 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.194 5.701 1.481 1.00 0.00 H new ATOM 188 N ASP A 15 -8.452 3.907 1.168 1.00 0.00 N ATOM 189 CA ASP A 15 -9.121 2.624 1.382 1.00 0.00 C ATOM 190 C ASP A 15 -8.127 1.583 1.889 1.00 0.00 C ATOM 191 O ASP A 15 -6.921 1.699 1.663 1.00 0.00 O ATOM 192 CB ASP A 15 -9.766 2.124 0.082 1.00 0.00 C ATOM 193 CG ASP A 15 -11.153 2.693 -0.165 1.00 0.00 C ATOM 194 OD1 ASP A 15 -12.098 2.319 0.560 1.00 0.00 O ATOM 195 OD2 ASP A 15 -11.316 3.506 -1.101 1.00 0.00 O ATOM 0 H ASP A 15 -8.457 4.222 0.198 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.900 2.772 2.130 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.121 2.383 -0.757 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.828 1.036 0.112 1.00 0.00 H new ATOM 200 N SER A 16 -8.631 0.564 2.562 1.00 0.00 N ATOM 201 CA SER A 16 -7.778 -0.490 3.084 1.00 0.00 C ATOM 202 C SER A 16 -7.392 -1.444 1.961 1.00 0.00 C ATOM 203 O SER A 16 -8.181 -1.708 1.063 1.00 0.00 O ATOM 204 CB SER A 16 -8.498 -1.250 4.193 1.00 0.00 C ATOM 205 OG SER A 16 -9.147 -0.355 5.080 1.00 0.00 O ATOM 0 H SER A 16 -9.624 0.443 2.760 1.00 0.00 H new ATOM 0 HA SER A 16 -6.875 -0.042 3.498 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.229 -1.931 3.757 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.783 -1.861 4.745 1.00 0.00 H new ATOM 0 HG SER A 16 -9.604 -0.864 5.782 1.00 0.00 H new ATOM 211 N CYS A 17 -6.171 -1.933 2.002 1.00 0.00 N ATOM 212 CA CYS A 17 -5.673 -2.837 0.973 1.00 0.00 C ATOM 213 C CYS A 17 -6.226 -4.246 1.157 1.00 0.00 C ATOM 214 O CYS A 17 -6.324 -4.738 2.286 1.00 0.00 O ATOM 215 CB CYS A 17 -4.150 -2.897 1.030 1.00 0.00 C ATOM 216 SG CYS A 17 -3.351 -1.285 1.291 1.00 0.00 S ATOM 0 H CYS A 17 -5.498 -1.722 2.739 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.002 -2.453 0.007 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.854 -3.571 1.834 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.779 -3.327 0.100 1.00 0.00 H new ATOM 221 N CYS A 18 -6.548 -4.903 0.045 1.00 0.00 N ATOM 222 CA CYS A 18 -7.043 -6.271 0.069 1.00 0.00 C ATOM 223 C CYS A 18 -5.988 -7.158 0.689 1.00 0.00 C ATOM 224 O CYS A 18 -4.792 -6.912 0.539 1.00 0.00 O ATOM 225 CB CYS A 18 -7.340 -6.789 -1.346 1.00 0.00 C ATOM 226 SG CYS A 18 -8.451 -5.750 -2.360 1.00 0.00 S ATOM 0 H CYS A 18 -6.473 -4.503 -0.890 1.00 0.00 H new ATOM 0 HA CYS A 18 -7.967 -6.289 0.646 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.395 -6.901 -1.877 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -7.779 -7.783 -1.263 1.00 0.00 H new ATOM 231 N LYS A 19 -6.412 -8.180 1.391 1.00 0.00 N ATOM 232 CA LYS A 19 -5.468 -9.072 2.011 1.00 0.00 C ATOM 233 C LYS A 19 -4.997 -10.109 1.000 1.00 0.00 C ATOM 234 O LYS A 19 -5.718 -10.442 0.064 1.00 0.00 O ATOM 235 CB LYS A 19 -6.071 -9.734 3.248 1.00 0.00 C ATOM 236 CG LYS A 19 -6.748 -8.756 4.204 1.00 0.00 C ATOM 237 CD LYS A 19 -5.897 -7.514 4.456 1.00 0.00 C ATOM 238 CE LYS A 19 -4.545 -7.851 5.067 1.00 0.00 C ATOM 239 NZ LYS A 19 -3.652 -6.661 5.121 1.00 0.00 N ATOM 0 H LYS A 19 -7.393 -8.412 1.545 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.604 -8.496 2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.800 -10.480 2.930 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.284 -10.265 3.784 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.712 -8.457 3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.948 -9.256 5.152 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.746 -6.984 3.516 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.434 -6.837 5.121 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.689 -8.244 6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.068 -8.638 4.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.932 -6.800 5.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.185 -6.535 4.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.214 -5.815 5.342 1.00 0.00 H new ATOM 253 N PRO A 20 -3.767 -10.606 1.163 1.00 0.00 N ATOM 254 CA PRO A 20 -2.896 -10.227 2.259 1.00 0.00 C ATOM 255 C PRO A 20 -1.905 -9.109 1.913 1.00 0.00 C ATOM 256 O PRO A 20 -0.753 -9.157 2.333 1.00 0.00 O ATOM 257 CB PRO A 20 -2.153 -11.533 2.524 1.00 0.00 C ATOM 258 CG PRO A 20 -2.045 -12.197 1.184 1.00 0.00 C ATOM 259 CD PRO A 20 -3.129 -11.612 0.303 1.00 0.00 C ATOM 0 HA PRO A 20 -3.453 -9.821 3.103 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.168 -11.347 2.953 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.696 -12.159 3.232 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.061 -12.025 0.748 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.167 -13.276 1.279 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.714 -11.163 -0.599 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.839 -12.374 -0.018 1.00 0.00 H new ATOM 267 N TYR A 21 -2.339 -8.102 1.160 1.00 0.00 N ATOM 268 CA TYR A 21 -1.445 -6.999 0.802 1.00 0.00 C ATOM 269 C TYR A 21 -1.413 -5.954 1.913 1.00 0.00 C ATOM 270 O TYR A 21 -2.273 -5.946 2.805 1.00 0.00 O ATOM 271 CB TYR A 21 -1.851 -6.362 -0.537 1.00 0.00 C ATOM 272 CG TYR A 21 -2.119 -7.384 -1.623 1.00 0.00 C ATOM 273 CD1 TYR A 21 -1.083 -8.131 -2.166 1.00 0.00 C ATOM 274 CD2 TYR A 21 -3.408 -7.618 -2.089 1.00 0.00 C ATOM 275 CE1 TYR A 21 -1.318 -9.078 -3.143 1.00 0.00 C ATOM 276 CE2 TYR A 21 -3.653 -8.566 -3.063 1.00 0.00 C ATOM 277 CZ TYR A 21 -2.604 -9.292 -3.588 1.00 0.00 C ATOM 278 OH TYR A 21 -2.843 -10.239 -4.556 1.00 0.00 O ATOM 0 H TYR A 21 -3.286 -8.024 0.790 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.441 -7.406 0.682 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.744 -5.756 -0.388 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.060 -5.689 -0.867 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.074 -7.968 -1.818 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.231 -7.049 -1.683 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.498 -9.648 -3.556 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.661 -8.738 -3.412 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.059 -10.316 -5.139 1.00 0.00 H new ATOM 288 N LEU A 22 -0.404 -5.097 1.870 1.00 0.00 N ATOM 289 CA LEU A 22 -0.223 -4.060 2.875 1.00 0.00 C ATOM 290 C LEU A 22 0.195 -2.745 2.218 1.00 0.00 C ATOM 291 O LEU A 22 0.972 -2.746 1.263 1.00 0.00 O ATOM 292 CB LEU A 22 0.844 -4.507 3.881 1.00 0.00 C ATOM 293 CG LEU A 22 1.129 -3.528 5.023 1.00 0.00 C ATOM 294 CD1 LEU A 22 -0.069 -3.429 5.953 1.00 0.00 C ATOM 295 CD2 LEU A 22 2.370 -3.953 5.794 1.00 0.00 C ATOM 0 H LEU A 22 0.309 -5.100 1.141 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.168 -3.899 3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.535 -5.459 4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.773 -4.688 3.341 1.00 0.00 H new ATOM 0 HG LEU A 22 1.312 -2.543 4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.152 -2.729 6.758 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.936 -3.077 5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.284 -4.411 6.375 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.557 -3.245 6.602 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.216 -4.948 6.212 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.228 -3.971 5.122 1.00 0.00 H new ATOM 307 N CYS A 23 -0.327 -1.634 2.732 1.00 0.00 N ATOM 308 CA CYS A 23 -0.010 -0.307 2.205 1.00 0.00 C ATOM 309 C CYS A 23 1.395 0.099 2.621 1.00 0.00 C ATOM 310 O CYS A 23 1.600 0.781 3.625 1.00 0.00 O ATOM 311 CB CYS A 23 -1.030 0.719 2.693 1.00 0.00 C ATOM 312 SG CYS A 23 -0.738 2.434 2.132 1.00 0.00 S ATOM 0 H CYS A 23 -0.976 -1.626 3.519 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.055 -0.343 1.117 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.021 0.409 2.361 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -1.041 0.707 3.783 1.00 0.00 H new ATOM 317 N SER A 24 2.352 -0.345 1.843 1.00 0.00 N ATOM 318 CA SER A 24 3.750 -0.060 2.096 1.00 0.00 C ATOM 319 C SER A 24 4.108 1.327 1.582 1.00 0.00 C ATOM 320 O SER A 24 3.698 1.712 0.491 1.00 0.00 O ATOM 321 CB SER A 24 4.621 -1.125 1.434 1.00 0.00 C ATOM 322 OG SER A 24 4.297 -1.271 0.065 1.00 0.00 O ATOM 0 H SER A 24 2.187 -0.916 1.014 1.00 0.00 H new ATOM 0 HA SER A 24 3.931 -0.079 3.171 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.672 -0.854 1.535 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.487 -2.078 1.946 1.00 0.00 H new ATOM 0 HG SER A 24 3.525 -0.707 -0.150 1.00 0.00 H new ATOM 328 N CYS A 25 4.863 2.073 2.366 1.00 0.00 N ATOM 329 CA CYS A 25 5.257 3.416 1.979 1.00 0.00 C ATOM 330 C CYS A 25 6.728 3.636 2.307 1.00 0.00 C ATOM 331 O CYS A 25 7.074 4.392 3.213 1.00 0.00 O ATOM 332 CB CYS A 25 4.379 4.449 2.691 1.00 0.00 C ATOM 333 SG CYS A 25 4.249 6.046 1.820 1.00 0.00 S ATOM 0 H CYS A 25 5.216 1.773 3.275 1.00 0.00 H new ATOM 0 HA CYS A 25 5.120 3.536 0.904 1.00 0.00 H new ATOM 0 HB2 CYS A 25 3.379 4.034 2.817 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.780 4.624 3.689 1.00 0.00 H new ATOM 338 N ILE A 26 7.589 2.950 1.568 1.00 0.00 N ATOM 339 CA ILE A 26 9.027 3.053 1.769 1.00 0.00 C ATOM 340 C ILE A 26 9.607 4.248 1.015 1.00 0.00 C ATOM 341 O ILE A 26 8.876 5.074 0.480 1.00 0.00 O ATOM 342 CB ILE A 26 9.783 1.756 1.366 1.00 0.00 C ATOM 343 CG1 ILE A 26 9.377 1.260 -0.037 1.00 0.00 C ATOM 344 CG2 ILE A 26 9.557 0.669 2.409 1.00 0.00 C ATOM 345 CD1 ILE A 26 8.081 0.470 -0.083 1.00 0.00 C ATOM 0 H ILE A 26 7.314 2.313 0.820 1.00 0.00 H new ATOM 0 HA ILE A 26 9.173 3.200 2.839 1.00 0.00 H new ATOM 0 HB ILE A 26 10.846 1.994 1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.285 2.121 -0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 26 10.180 0.638 -0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.092 -0.234 2.115 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.926 1.010 3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.491 0.452 2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.878 0.164 -1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.171 -0.414 0.548 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.263 1.092 0.279 1.00 0.00 H new ATOM 357 N PHE A 27 10.927 4.341 1.004 1.00 0.00 N ATOM 358 CA PHE A 27 11.617 5.447 0.348 1.00 0.00 C ATOM 359 C PHE A 27 11.600 5.321 -1.174 1.00 0.00 C ATOM 360 O PHE A 27 11.251 6.264 -1.879 1.00 0.00 O ATOM 361 CB PHE A 27 13.069 5.523 0.824 1.00 0.00 C ATOM 362 CG PHE A 27 13.234 5.910 2.271 1.00 0.00 C ATOM 363 CD1 PHE A 27 12.691 5.134 3.284 1.00 0.00 C ATOM 364 CD2 PHE A 27 13.934 7.057 2.616 1.00 0.00 C ATOM 365 CE1 PHE A 27 12.843 5.493 4.609 1.00 0.00 C ATOM 366 CE2 PHE A 27 14.088 7.421 3.940 1.00 0.00 C ATOM 367 CZ PHE A 27 13.542 6.637 4.938 1.00 0.00 C ATOM 0 H PHE A 27 11.548 3.661 1.444 1.00 0.00 H new ATOM 0 HA PHE A 27 11.082 6.357 0.619 1.00 0.00 H new ATOM 0 HB2 PHE A 27 13.541 4.554 0.664 1.00 0.00 H new ATOM 0 HB3 PHE A 27 13.603 6.244 0.205 1.00 0.00 H new ATOM 0 HD1 PHE A 27 12.143 4.238 3.034 1.00 0.00 H new ATOM 0 HD2 PHE A 27 14.364 7.673 1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 27 12.415 4.879 5.388 1.00 0.00 H new ATOM 0 HE2 PHE A 27 14.634 8.317 4.194 1.00 0.00 H new ATOM 0 HZ PHE A 27 13.662 6.919 5.974 1.00 0.00 H new ATOM 377 N PHE A 28 12.016 4.162 -1.674 1.00 0.00 N ATOM 378 CA PHE A 28 12.085 3.931 -3.114 1.00 0.00 C ATOM 379 C PHE A 28 10.697 3.752 -3.726 1.00 0.00 C ATOM 380 O PHE A 28 10.503 3.971 -4.920 1.00 0.00 O ATOM 381 CB PHE A 28 12.961 2.711 -3.415 1.00 0.00 C ATOM 382 CG PHE A 28 13.406 2.626 -4.851 1.00 0.00 C ATOM 383 CD1 PHE A 28 13.849 3.757 -5.520 1.00 0.00 C ATOM 384 CD2 PHE A 28 13.385 1.419 -5.527 1.00 0.00 C ATOM 385 CE1 PHE A 28 14.260 3.683 -6.838 1.00 0.00 C ATOM 386 CE2 PHE A 28 13.795 1.339 -6.844 1.00 0.00 C ATOM 387 CZ PHE A 28 14.233 2.473 -7.501 1.00 0.00 C ATOM 0 H PHE A 28 12.310 3.368 -1.105 1.00 0.00 H new ATOM 0 HA PHE A 28 12.534 4.814 -3.569 1.00 0.00 H new ATOM 0 HB2 PHE A 28 13.841 2.739 -2.772 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.409 1.806 -3.161 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.873 4.706 -5.006 1.00 0.00 H new ATOM 0 HD2 PHE A 28 13.044 0.529 -5.019 1.00 0.00 H new ATOM 0 HE1 PHE A 28 14.602 4.571 -7.348 1.00 0.00 H new ATOM 0 HE2 PHE A 28 13.773 0.390 -7.360 1.00 0.00 H new ATOM 0 HZ PHE A 28 14.553 2.413 -8.531 1.00 0.00 H new ATOM 397 N TYR A 29 9.732 3.360 -2.909 1.00 0.00 N ATOM 398 CA TYR A 29 8.371 3.168 -3.394 1.00 0.00 C ATOM 399 C TYR A 29 7.380 3.883 -2.489 1.00 0.00 C ATOM 400 O TYR A 29 7.299 3.585 -1.299 1.00 0.00 O ATOM 401 CB TYR A 29 8.006 1.680 -3.468 1.00 0.00 C ATOM 402 CG TYR A 29 8.926 0.852 -4.336 1.00 0.00 C ATOM 403 CD1 TYR A 29 8.732 0.774 -5.709 1.00 0.00 C ATOM 404 CD2 TYR A 29 9.974 0.129 -3.780 1.00 0.00 C ATOM 405 CE1 TYR A 29 9.558 0.004 -6.504 1.00 0.00 C ATOM 406 CE2 TYR A 29 10.806 -0.641 -4.569 1.00 0.00 C ATOM 407 CZ TYR A 29 10.594 -0.701 -5.930 1.00 0.00 C ATOM 408 OH TYR A 29 11.416 -1.472 -6.718 1.00 0.00 O ATOM 0 H TYR A 29 9.862 3.170 -1.915 1.00 0.00 H new ATOM 0 HA TYR A 29 8.321 3.588 -4.398 1.00 0.00 H new ATOM 0 HB2 TYR A 29 8.010 1.267 -2.459 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.988 1.587 -3.847 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.921 1.325 -6.163 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.141 0.170 -2.714 1.00 0.00 H new ATOM 0 HE1 TYR A 29 9.393 -0.046 -7.570 1.00 0.00 H new ATOM 0 HE2 TYR A 29 11.619 -1.194 -4.122 1.00 0.00 H new ATOM 0 HH TYR A 29 12.096 -1.902 -6.159 1.00 0.00 H new ATOM 418 N PRO A 30 6.614 4.832 -3.048 1.00 0.00 N ATOM 419 CA PRO A 30 5.617 5.601 -2.294 1.00 0.00 C ATOM 420 C PRO A 30 4.495 4.727 -1.750 1.00 0.00 C ATOM 421 O PRO A 30 4.442 3.525 -2.022 1.00 0.00 O ATOM 422 CB PRO A 30 5.065 6.598 -3.322 1.00 0.00 C ATOM 423 CG PRO A 30 6.058 6.609 -4.434 1.00 0.00 C ATOM 424 CD PRO A 30 6.661 5.235 -4.460 1.00 0.00 C ATOM 0 HA PRO A 30 6.059 6.076 -1.418 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.081 6.292 -3.677 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.952 7.591 -2.886 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.578 6.843 -5.384 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.822 7.368 -4.268 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.091 4.555 -5.094 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.681 5.248 -4.843 1.00 0.00 H new ATOM 432 N CYS A 31 3.611 5.343 -0.969 1.00 0.00 N ATOM 433 CA CYS A 31 2.488 4.643 -0.359 1.00 0.00 C ATOM 434 C CYS A 31 1.693 3.860 -1.399 1.00 0.00 C ATOM 435 O CYS A 31 0.960 4.434 -2.207 1.00 0.00 O ATOM 436 CB CYS A 31 1.559 5.633 0.356 1.00 0.00 C ATOM 437 SG CYS A 31 2.257 6.451 1.840 1.00 0.00 S ATOM 0 H CYS A 31 3.654 6.337 -0.743 1.00 0.00 H new ATOM 0 HA CYS A 31 2.896 3.941 0.368 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.264 6.404 -0.356 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.652 5.105 0.648 1.00 0.00 H new ATOM 442 N SER A 32 1.847 2.548 -1.363 1.00 0.00 N ATOM 443 CA SER A 32 1.161 1.659 -2.281 1.00 0.00 C ATOM 444 C SER A 32 1.024 0.272 -1.661 1.00 0.00 C ATOM 445 O SER A 32 1.965 -0.241 -1.053 1.00 0.00 O ATOM 446 CB SER A 32 1.920 1.580 -3.609 1.00 0.00 C ATOM 447 OG SER A 32 3.307 1.362 -3.397 1.00 0.00 O ATOM 0 H SER A 32 2.452 2.070 -0.695 1.00 0.00 H new ATOM 0 HA SER A 32 0.164 2.054 -2.477 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.511 0.773 -4.217 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.776 2.504 -4.168 1.00 0.00 H new ATOM 0 HG SER A 32 3.705 2.159 -2.989 1.00 0.00 H new ATOM 453 N CYS A 33 -0.145 -0.329 -1.813 1.00 0.00 N ATOM 454 CA CYS A 33 -0.391 -1.651 -1.279 1.00 0.00 C ATOM 455 C CYS A 33 0.330 -2.665 -2.130 1.00 0.00 C ATOM 456 O CYS A 33 0.195 -2.660 -3.354 1.00 0.00 O ATOM 457 CB CYS A 33 -1.880 -1.983 -1.258 1.00 0.00 C ATOM 458 SG CYS A 33 -2.931 -0.657 -0.589 1.00 0.00 S ATOM 0 H CYS A 33 -0.939 0.083 -2.304 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.025 -1.677 -0.252 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.204 -2.211 -2.273 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.031 -2.885 -0.665 1.00 0.00 H new ATOM 463 N ARG A 34 1.097 -3.517 -1.479 1.00 0.00 N ATOM 464 CA ARG A 34 1.862 -4.553 -2.147 1.00 0.00 C ATOM 465 C ARG A 34 1.833 -5.787 -1.264 1.00 0.00 C ATOM 466 O ARG A 34 1.471 -5.682 -0.091 1.00 0.00 O ATOM 467 CB ARG A 34 3.314 -4.095 -2.388 1.00 0.00 C ATOM 468 CG ARG A 34 3.474 -2.586 -2.481 1.00 0.00 C ATOM 469 CD ARG A 34 4.639 -2.178 -3.361 1.00 0.00 C ATOM 470 NE ARG A 34 4.314 -2.308 -4.782 1.00 0.00 N ATOM 471 CZ ARG A 34 5.125 -1.927 -5.768 1.00 0.00 C ATOM 472 NH1 ARG A 34 6.305 -1.386 -5.486 1.00 0.00 N ATOM 473 NH2 ARG A 34 4.749 -2.075 -7.035 1.00 0.00 N ATOM 0 H ARG A 34 1.208 -3.510 -0.465 1.00 0.00 H new ATOM 0 HA ARG A 34 1.427 -4.771 -3.122 1.00 0.00 H new ATOM 0 HB2 ARG A 34 3.942 -4.468 -1.579 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.680 -4.547 -3.310 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.556 -2.150 -2.875 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.618 -2.177 -1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.916 -1.146 -3.144 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.506 -2.796 -3.128 1.00 0.00 H new ATOM 0 HE ARG A 34 3.413 -2.715 -5.033 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.590 -1.262 -4.515 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.926 -1.094 -6.241 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.839 -2.481 -7.253 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.371 -1.783 -7.789 1.00 0.00 H new ATOM 487 N PRO A 35 2.184 -6.968 -1.803 1.00 0.00 N ATOM 488 CA PRO A 35 2.182 -8.217 -1.034 1.00 0.00 C ATOM 489 C PRO A 35 2.857 -8.051 0.325 1.00 0.00 C ATOM 490 O PRO A 35 3.853 -7.339 0.448 1.00 0.00 O ATOM 491 CB PRO A 35 2.983 -9.172 -1.918 1.00 0.00 C ATOM 492 CG PRO A 35 2.767 -8.675 -3.307 1.00 0.00 C ATOM 493 CD PRO A 35 2.597 -7.182 -3.202 1.00 0.00 C ATOM 0 HA PRO A 35 1.174 -8.566 -0.813 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.041 -9.162 -1.654 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.636 -10.199 -1.807 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.614 -8.926 -3.945 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.885 -9.136 -3.752 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.525 -6.658 -3.429 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.845 -6.816 -3.901 1.00 0.00 H new ATOM 501 N LYS A 36 2.310 -8.692 1.348 1.00 0.00 N ATOM 502 CA LYS A 36 2.872 -8.575 2.681 1.00 0.00 C ATOM 503 C LYS A 36 4.120 -9.436 2.794 1.00 0.00 C ATOM 504 O LYS A 36 4.040 -10.668 2.851 1.00 0.00 O ATOM 505 CB LYS A 36 1.853 -9.006 3.736 1.00 0.00 C ATOM 506 CG LYS A 36 2.416 -9.040 5.150 1.00 0.00 C ATOM 507 CD LYS A 36 1.684 -10.051 6.021 1.00 0.00 C ATOM 508 CE LYS A 36 1.765 -11.458 5.437 1.00 0.00 C ATOM 509 NZ LYS A 36 3.172 -11.888 5.191 1.00 0.00 N ATOM 0 H LYS A 36 1.487 -9.291 1.280 1.00 0.00 H new ATOM 0 HA LYS A 36 3.134 -7.531 2.854 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.004 -8.324 3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.475 -9.996 3.481 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.476 -9.290 5.114 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.337 -8.049 5.597 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.113 -10.047 7.023 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.639 -9.757 6.121 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.287 -12.160 6.120 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.208 -11.493 4.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.220 -12.927 5.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.495 -11.513 4.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.784 -11.525 5.950 1.00 0.00 H new ATOM 523 N GLY A 37 5.265 -8.777 2.809 1.00 0.00 N ATOM 524 CA GLY A 37 6.529 -9.477 2.882 1.00 0.00 C ATOM 525 C GLY A 37 7.105 -9.677 1.500 1.00 0.00 C ATOM 526 O GLY A 37 7.540 -10.773 1.150 1.00 0.00 O ATOM 0 H GLY A 37 5.343 -7.761 2.772 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.230 -8.911 3.496 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.389 -10.443 3.367 1.00 0.00 H new ATOM 530 N TRP A 38 7.077 -8.603 0.719 1.00 0.00 N ATOM 531 CA TRP A 38 7.578 -8.613 -0.646 1.00 0.00 C ATOM 532 C TRP A 38 9.105 -8.579 -0.658 1.00 0.00 C ATOM 533 O TRP A 38 9.698 -8.902 -1.709 1.00 0.00 O ATOM 534 CB TRP A 38 7.006 -7.411 -1.418 1.00 0.00 C ATOM 535 CG TRP A 38 7.575 -6.083 -0.992 1.00 0.00 C ATOM 536 CD1 TRP A 38 8.553 -5.375 -1.628 1.00 0.00 C ATOM 537 CD2 TRP A 38 7.218 -5.318 0.169 1.00 0.00 C ATOM 538 NE1 TRP A 38 8.823 -4.218 -0.941 1.00 0.00 N ATOM 539 CE2 TRP A 38 8.020 -4.160 0.166 1.00 0.00 C ATOM 540 CE3 TRP A 38 6.300 -5.495 1.209 1.00 0.00 C ATOM 541 CZ2 TRP A 38 7.932 -3.190 1.161 1.00 0.00 C ATOM 542 CZ3 TRP A 38 6.215 -4.532 2.195 1.00 0.00 C ATOM 543 CH2 TRP A 38 7.027 -3.393 2.166 1.00 0.00 C ATOM 544 OXT TRP A 38 9.694 -8.218 0.386 1.00 0.00 O ATOM 0 H TRP A 38 6.705 -7.701 1.017 1.00 0.00 H new ATOM 0 HA TRP A 38 7.256 -9.533 -1.133 1.00 0.00 H new ATOM 0 HB2 TRP A 38 7.196 -7.552 -2.482 1.00 0.00 H new ATOM 0 HB3 TRP A 38 5.924 -7.390 -1.288 1.00 0.00 H new ATOM 0 HD1 TRP A 38 9.044 -5.681 -2.540 1.00 0.00 H new ATOM 0 HE1 TRP A 38 9.511 -3.515 -1.212 1.00 0.00 H new ATOM 0 HE3 TRP A 38 5.668 -6.370 1.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 8.556 -2.309 1.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 5.509 -4.660 3.003 1.00 0.00 H new ATOM 0 HH2 TRP A 38 6.937 -2.659 2.953 1.00 0.00 H new