USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=10 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -121:sc= -0.715 (180deg=-3.97!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -165:sc= 0.0701 (180deg=0.0317) USER MOD Single : A 21 TYR OH : rot -39:sc= 1.27 USER MOD Single : A 24 SER OG : rot -14:sc= -1.5! USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -68:sc= 0.0265 USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= -0.0527 (180deg=-0.245) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -14.556 -3.176 -2.039 1.00 0.00 N ATOM 2 CA LYS A 1 -13.501 -2.328 -2.642 1.00 0.00 C ATOM 3 C LYS A 1 -12.219 -2.442 -1.846 1.00 0.00 C ATOM 4 O LYS A 1 -12.245 -2.359 -0.620 1.00 0.00 O ATOM 5 CB LYS A 1 -13.968 -0.871 -2.644 1.00 0.00 C ATOM 6 CG LYS A 1 -15.034 -0.553 -3.678 1.00 0.00 C ATOM 7 CD LYS A 1 -15.392 0.932 -3.691 1.00 0.00 C ATOM 8 CE LYS A 1 -14.198 1.817 -4.044 1.00 0.00 C ATOM 9 NZ LYS A 1 -13.344 2.130 -2.861 1.00 0.00 N ATOM 0 H1 LYS A 1 -15.431 -3.089 -2.594 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.245 -4.168 -2.037 1.00 0.00 H new ATOM 0 H3 LYS A 1 -14.734 -2.867 -1.062 1.00 0.00 H new ATOM 0 HA LYS A 1 -13.315 -2.662 -3.663 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -14.354 -0.625 -1.655 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -13.106 -0.227 -2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -14.681 -0.850 -4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -15.928 -1.140 -3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -16.193 1.103 -4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -15.776 1.219 -2.712 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -13.593 1.319 -4.802 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -14.558 2.747 -4.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -13.301 3.160 -2.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -13.751 1.687 -2.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -12.384 1.761 -3.018 1.00 0.00 H new ATOM 25 N CYS A 2 -11.108 -2.627 -2.537 1.00 0.00 N ATOM 26 CA CYS A 2 -9.822 -2.728 -1.880 1.00 0.00 C ATOM 27 C CYS A 2 -8.693 -2.503 -2.869 1.00 0.00 C ATOM 28 O CYS A 2 -8.844 -2.732 -4.071 1.00 0.00 O ATOM 29 CB CYS A 2 -9.660 -4.070 -1.157 1.00 0.00 C ATOM 30 SG CYS A 2 -9.774 -5.541 -2.221 1.00 0.00 S ATOM 0 H CYS A 2 -11.073 -2.710 -3.553 1.00 0.00 H new ATOM 0 HA CYS A 2 -9.776 -1.944 -1.124 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -8.693 -4.079 -0.654 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -10.423 -4.142 -0.382 1.00 0.00 H new ATOM 35 N LEU A 3 -7.575 -2.045 -2.348 1.00 0.00 N ATOM 36 CA LEU A 3 -6.397 -1.772 -3.149 1.00 0.00 C ATOM 37 C LEU A 3 -5.639 -3.063 -3.435 1.00 0.00 C ATOM 38 O LEU A 3 -5.331 -3.820 -2.519 1.00 0.00 O ATOM 39 CB LEU A 3 -5.501 -0.785 -2.408 1.00 0.00 C ATOM 40 CG LEU A 3 -6.157 0.555 -2.082 1.00 0.00 C ATOM 41 CD1 LEU A 3 -5.202 1.442 -1.306 1.00 0.00 C ATOM 42 CD2 LEU A 3 -6.615 1.253 -3.354 1.00 0.00 C ATOM 0 H LEU A 3 -7.455 -1.850 -1.354 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.702 -1.338 -4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.167 -1.246 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.611 -0.601 -3.010 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.032 0.363 -1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.688 2.392 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.924 0.949 -0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.308 1.623 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.080 2.206 -3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.756 1.430 -4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.338 0.624 -3.874 1.00 0.00 H new ATOM 54 N ALA A 4 -5.342 -3.315 -4.701 1.00 0.00 N ATOM 55 CA ALA A 4 -4.631 -4.528 -5.082 1.00 0.00 C ATOM 56 C ALA A 4 -3.136 -4.407 -4.807 1.00 0.00 C ATOM 57 O ALA A 4 -2.691 -3.495 -4.106 1.00 0.00 O ATOM 58 CB ALA A 4 -4.879 -4.837 -6.553 1.00 0.00 C ATOM 0 H ALA A 4 -5.580 -2.700 -5.479 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.013 -5.349 -4.475 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.344 -5.745 -6.829 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.947 -4.980 -6.720 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.524 -4.007 -7.164 1.00 0.00 H new ATOM 64 N GLU A 5 -2.362 -5.329 -5.360 1.00 0.00 N ATOM 65 CA GLU A 5 -0.926 -5.321 -5.174 1.00 0.00 C ATOM 66 C GLU A 5 -0.286 -4.189 -5.962 1.00 0.00 C ATOM 67 O GLU A 5 -0.589 -3.980 -7.136 1.00 0.00 O ATOM 68 CB GLU A 5 -0.322 -6.670 -5.561 1.00 0.00 C ATOM 69 CG GLU A 5 -0.778 -7.193 -6.911 1.00 0.00 C ATOM 70 CD GLU A 5 -0.336 -8.620 -7.145 1.00 0.00 C ATOM 71 OE1 GLU A 5 -0.766 -9.506 -6.375 1.00 0.00 O ATOM 72 OE2 GLU A 5 0.450 -8.851 -8.084 1.00 0.00 O ATOM 0 H GLU A 5 -2.709 -6.092 -5.942 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.720 -5.152 -4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 5 0.764 -6.580 -5.567 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.577 -7.403 -4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.865 -7.135 -6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -0.379 -6.556 -7.700 1.00 0.00 H new ATOM 79 N ALA A 6 0.562 -3.442 -5.267 1.00 0.00 N ATOM 80 CA ALA A 6 1.256 -2.284 -5.819 1.00 0.00 C ATOM 81 C ALA A 6 0.276 -1.148 -6.071 1.00 0.00 C ATOM 82 O ALA A 6 0.428 -0.379 -7.017 1.00 0.00 O ATOM 83 CB ALA A 6 2.020 -2.643 -7.090 1.00 0.00 C ATOM 0 H ALA A 6 0.791 -3.625 -4.290 1.00 0.00 H new ATOM 0 HA ALA A 6 1.989 -1.950 -5.085 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.525 -1.756 -7.474 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.759 -3.413 -6.865 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.323 -3.017 -7.840 1.00 0.00 H new ATOM 89 N ALA A 7 -0.728 -1.044 -5.209 1.00 0.00 N ATOM 90 CA ALA A 7 -1.728 0.014 -5.352 1.00 0.00 C ATOM 91 C ALA A 7 -1.497 1.117 -4.332 1.00 0.00 C ATOM 92 O ALA A 7 -1.396 0.845 -3.142 1.00 0.00 O ATOM 93 CB ALA A 7 -3.133 -0.551 -5.214 1.00 0.00 C ATOM 0 H ALA A 7 -0.873 -1.667 -4.415 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.625 0.442 -6.349 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.861 0.253 -5.324 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.301 -1.301 -5.987 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.245 -1.011 -4.232 1.00 0.00 H new ATOM 99 N ASP A 8 -1.407 2.352 -4.804 1.00 0.00 N ATOM 100 CA ASP A 8 -1.177 3.505 -3.928 1.00 0.00 C ATOM 101 C ASP A 8 -2.256 3.609 -2.853 1.00 0.00 C ATOM 102 O ASP A 8 -3.451 3.515 -3.145 1.00 0.00 O ATOM 103 CB ASP A 8 -1.126 4.795 -4.759 1.00 0.00 C ATOM 104 CG ASP A 8 -0.803 6.032 -3.933 1.00 0.00 C ATOM 105 OD1 ASP A 8 -1.662 6.464 -3.134 1.00 0.00 O ATOM 106 OD2 ASP A 8 0.313 6.573 -4.091 1.00 0.00 O ATOM 0 H ASP A 8 -1.489 2.588 -5.793 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.219 3.364 -3.427 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.377 4.684 -5.543 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.086 4.938 -5.254 1.00 0.00 H new ATOM 111 N CYS A 9 -1.827 3.809 -1.614 1.00 0.00 N ATOM 112 CA CYS A 9 -2.746 3.943 -0.499 1.00 0.00 C ATOM 113 C CYS A 9 -2.635 5.314 0.132 1.00 0.00 C ATOM 114 O CYS A 9 -1.540 5.841 0.339 1.00 0.00 O ATOM 115 CB CYS A 9 -2.522 2.865 0.563 1.00 0.00 C ATOM 116 SG CYS A 9 -0.839 2.156 0.604 1.00 0.00 S ATOM 0 H CYS A 9 -0.842 3.882 -1.358 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.750 3.815 -0.903 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.745 3.289 1.542 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.235 2.058 0.396 1.00 0.00 H new ATOM 121 N SER A 10 -3.780 5.882 0.438 1.00 0.00 N ATOM 122 CA SER A 10 -3.842 7.194 1.048 1.00 0.00 C ATOM 123 C SER A 10 -3.555 7.101 2.547 1.00 0.00 C ATOM 124 O SER A 10 -4.144 6.286 3.254 1.00 0.00 O ATOM 125 CB SER A 10 -5.210 7.811 0.788 1.00 0.00 C ATOM 126 OG SER A 10 -5.543 7.724 -0.587 1.00 0.00 O ATOM 0 H SER A 10 -4.690 5.452 0.273 1.00 0.00 H new ATOM 0 HA SER A 10 -3.080 7.835 0.605 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.965 7.299 1.384 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.210 8.855 1.102 1.00 0.00 H new ATOM 0 HG SER A 10 -6.425 8.123 -0.736 1.00 0.00 H new ATOM 132 N PRO A 11 -2.620 7.928 3.034 1.00 0.00 N ATOM 133 CA PRO A 11 -2.205 7.946 4.448 1.00 0.00 C ATOM 134 C PRO A 11 -3.280 8.461 5.403 1.00 0.00 C ATOM 135 O PRO A 11 -3.447 7.933 6.499 1.00 0.00 O ATOM 136 CB PRO A 11 -1.011 8.904 4.445 1.00 0.00 C ATOM 137 CG PRO A 11 -1.257 9.788 3.276 1.00 0.00 C ATOM 138 CD PRO A 11 -1.862 8.903 2.231 1.00 0.00 C ATOM 0 HA PRO A 11 -1.987 6.939 4.804 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.956 9.475 5.372 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.068 8.366 4.346 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.929 10.606 3.536 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.330 10.238 2.921 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.509 9.460 1.553 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.101 8.419 1.619 1.00 0.00 H new ATOM 146 N TRP A 12 -3.985 9.510 4.999 1.00 0.00 N ATOM 147 CA TRP A 12 -5.014 10.097 5.848 1.00 0.00 C ATOM 148 C TRP A 12 -6.294 9.276 5.804 1.00 0.00 C ATOM 149 O TRP A 12 -6.917 9.035 6.837 1.00 0.00 O ATOM 150 CB TRP A 12 -5.313 11.538 5.424 1.00 0.00 C ATOM 151 CG TRP A 12 -4.132 12.456 5.520 1.00 0.00 C ATOM 152 CD1 TRP A 12 -3.679 13.092 6.640 1.00 0.00 C ATOM 153 CD2 TRP A 12 -3.271 12.864 4.449 1.00 0.00 C ATOM 154 NE1 TRP A 12 -2.579 13.855 6.335 1.00 0.00 N ATOM 155 CE2 TRP A 12 -2.310 13.735 4.998 1.00 0.00 C ATOM 156 CE3 TRP A 12 -3.214 12.574 3.084 1.00 0.00 C ATOM 157 CZ2 TRP A 12 -1.307 14.317 4.227 1.00 0.00 C ATOM 158 CZ3 TRP A 12 -2.218 13.154 2.320 1.00 0.00 C ATOM 159 CH2 TRP A 12 -1.276 14.016 2.893 1.00 0.00 C ATOM 0 H TRP A 12 -3.865 9.969 4.096 1.00 0.00 H new ATOM 0 HA TRP A 12 -4.634 10.099 6.870 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.677 11.536 4.397 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -6.117 11.930 6.046 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.121 13.007 7.622 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.048 14.420 6.998 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.935 11.908 2.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -0.579 14.983 4.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.166 12.938 1.263 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -0.509 14.452 2.270 1.00 0.00 H new ATOM 170 N SER A 13 -6.676 8.850 4.608 1.00 0.00 N ATOM 171 CA SER A 13 -7.886 8.052 4.431 1.00 0.00 C ATOM 172 C SER A 13 -8.054 7.656 2.970 1.00 0.00 C ATOM 173 O SER A 13 -7.828 8.466 2.072 1.00 0.00 O ATOM 174 CB SER A 13 -9.122 8.832 4.902 1.00 0.00 C ATOM 175 OG SER A 13 -10.261 7.990 4.993 1.00 0.00 O ATOM 0 H SER A 13 -6.167 9.042 3.745 1.00 0.00 H new ATOM 0 HA SER A 13 -7.788 7.150 5.035 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.922 9.282 5.874 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.325 9.648 4.209 1.00 0.00 H new ATOM 0 HG SER A 13 -11.032 8.514 5.297 1.00 0.00 H new ATOM 181 N GLY A 14 -8.456 6.414 2.745 1.00 0.00 N ATOM 182 CA GLY A 14 -8.662 5.916 1.401 1.00 0.00 C ATOM 183 C GLY A 14 -9.236 4.518 1.422 1.00 0.00 C ATOM 184 O GLY A 14 -9.883 4.133 2.394 1.00 0.00 O ATOM 0 H GLY A 14 -8.645 5.734 3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.337 6.582 0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.715 5.916 0.861 1.00 0.00 H new ATOM 188 N ASP A 15 -8.989 3.747 0.371 1.00 0.00 N ATOM 189 CA ASP A 15 -9.487 2.378 0.312 1.00 0.00 C ATOM 190 C ASP A 15 -8.547 1.459 1.063 1.00 0.00 C ATOM 191 O ASP A 15 -7.349 1.727 1.168 1.00 0.00 O ATOM 192 CB ASP A 15 -9.633 1.891 -1.130 1.00 0.00 C ATOM 193 CG ASP A 15 -10.908 1.100 -1.359 1.00 0.00 C ATOM 194 OD1 ASP A 15 -11.675 0.900 -0.399 1.00 0.00 O ATOM 195 OD2 ASP A 15 -11.174 0.709 -2.518 1.00 0.00 O ATOM 0 H ASP A 15 -8.452 4.042 -0.445 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.474 2.363 0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.618 2.749 -1.802 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.775 1.270 -1.387 1.00 0.00 H new ATOM 200 N SER A 16 -9.086 0.380 1.577 1.00 0.00 N ATOM 201 CA SER A 16 -8.284 -0.583 2.312 1.00 0.00 C ATOM 202 C SER A 16 -7.606 -1.542 1.345 1.00 0.00 C ATOM 203 O SER A 16 -8.171 -1.896 0.323 1.00 0.00 O ATOM 204 CB SER A 16 -9.145 -1.363 3.294 1.00 0.00 C ATOM 205 OG SER A 16 -9.937 -0.492 4.080 1.00 0.00 O ATOM 0 H SER A 16 -10.075 0.142 1.503 1.00 0.00 H new ATOM 0 HA SER A 16 -7.524 -0.040 2.873 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.789 -2.053 2.749 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.508 -1.965 3.942 1.00 0.00 H new ATOM 0 HG SER A 16 -10.482 -1.018 4.702 1.00 0.00 H new ATOM 211 N CYS A 17 -6.399 -1.957 1.669 1.00 0.00 N ATOM 212 CA CYS A 17 -5.663 -2.879 0.813 1.00 0.00 C ATOM 213 C CYS A 17 -6.295 -4.270 0.867 1.00 0.00 C ATOM 214 O CYS A 17 -6.655 -4.747 1.955 1.00 0.00 O ATOM 215 CB CYS A 17 -4.202 -2.985 1.259 1.00 0.00 C ATOM 216 SG CYS A 17 -3.394 -1.391 1.608 1.00 0.00 S ATOM 0 H CYS A 17 -5.904 -1.675 2.515 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.703 -2.493 -0.206 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.154 -3.605 2.154 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.636 -3.501 0.483 1.00 0.00 H new ATOM 221 N CYS A 18 -6.400 -4.922 -0.288 1.00 0.00 N ATOM 222 CA CYS A 18 -6.947 -6.269 -0.369 1.00 0.00 C ATOM 223 C CYS A 18 -6.068 -7.193 0.439 1.00 0.00 C ATOM 224 O CYS A 18 -4.861 -6.988 0.524 1.00 0.00 O ATOM 225 CB CYS A 18 -6.996 -6.771 -1.820 1.00 0.00 C ATOM 226 SG CYS A 18 -7.903 -5.705 -2.992 1.00 0.00 S ATOM 0 H CYS A 18 -6.110 -4.534 -1.186 1.00 0.00 H new ATOM 0 HA CYS A 18 -7.965 -6.254 0.020 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.974 -6.889 -2.180 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -7.453 -7.761 -1.828 1.00 0.00 H new ATOM 231 N LYS A 19 -6.657 -8.195 1.045 1.00 0.00 N ATOM 232 CA LYS A 19 -5.886 -9.118 1.842 1.00 0.00 C ATOM 233 C LYS A 19 -5.248 -10.174 0.951 1.00 0.00 C ATOM 234 O LYS A 19 -5.797 -10.538 -0.086 1.00 0.00 O ATOM 235 CB LYS A 19 -6.753 -9.757 2.922 1.00 0.00 C ATOM 236 CG LYS A 19 -7.597 -8.752 3.692 1.00 0.00 C ATOM 237 CD LYS A 19 -6.738 -7.627 4.249 1.00 0.00 C ATOM 238 CE LYS A 19 -7.584 -6.508 4.828 1.00 0.00 C ATOM 239 NZ LYS A 19 -6.770 -5.297 5.111 1.00 0.00 N ATOM 0 H LYS A 19 -7.657 -8.391 1.003 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.090 -8.567 2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.410 -10.495 2.461 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.112 -10.294 3.622 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.363 -8.338 3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.114 -9.257 4.508 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.078 -8.021 5.022 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.101 -7.230 3.458 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.382 -6.256 4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.061 -6.850 5.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.306 -4.655 5.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.887 -5.575 5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.546 -4.813 4.218 1.00 0.00 H new ATOM 253 N PRO A 20 -4.065 -10.653 1.339 1.00 0.00 N ATOM 254 CA PRO A 20 -3.403 -10.230 2.559 1.00 0.00 C ATOM 255 C PRO A 20 -2.334 -9.151 2.340 1.00 0.00 C ATOM 256 O PRO A 20 -1.336 -9.116 3.060 1.00 0.00 O ATOM 257 CB PRO A 20 -2.754 -11.536 3.013 1.00 0.00 C ATOM 258 CG PRO A 20 -2.421 -12.267 1.743 1.00 0.00 C ATOM 259 CD PRO A 20 -3.276 -11.673 0.641 1.00 0.00 C ATOM 0 HA PRO A 20 -4.091 -9.771 3.269 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.859 -11.347 3.606 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.432 -12.118 3.637 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.362 -12.162 1.506 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.620 -13.333 1.850 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.666 -11.238 -0.151 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.913 -12.426 0.176 1.00 0.00 H new ATOM 267 N TYR A 21 -2.535 -8.280 1.353 1.00 0.00 N ATOM 268 CA TYR A 21 -1.569 -7.220 1.063 1.00 0.00 C ATOM 269 C TYR A 21 -1.569 -6.156 2.156 1.00 0.00 C ATOM 270 O TYR A 21 -2.544 -6.003 2.901 1.00 0.00 O ATOM 271 CB TYR A 21 -1.828 -6.582 -0.307 1.00 0.00 C ATOM 272 CG TYR A 21 -1.971 -7.593 -1.426 1.00 0.00 C ATOM 273 CD1 TYR A 21 -0.862 -8.035 -2.130 1.00 0.00 C ATOM 274 CD2 TYR A 21 -3.212 -8.122 -1.764 1.00 0.00 C ATOM 275 CE1 TYR A 21 -0.980 -8.967 -3.140 1.00 0.00 C ATOM 276 CE2 TYR A 21 -3.339 -9.057 -2.773 1.00 0.00 C ATOM 277 CZ TYR A 21 -2.219 -9.476 -3.458 1.00 0.00 C ATOM 278 OH TYR A 21 -2.339 -10.406 -4.461 1.00 0.00 O ATOM 0 H TYR A 21 -3.353 -8.286 0.743 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.583 -7.683 1.038 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.735 -5.980 -0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.009 -5.903 -0.544 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.113 -7.642 -1.883 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.091 -7.796 -1.228 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.104 -9.296 -3.679 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.310 -9.457 -3.024 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.731 -10.177 -5.194 1.00 0.00 H new ATOM 288 N LEU A 22 -0.457 -5.444 2.262 1.00 0.00 N ATOM 289 CA LEU A 22 -0.293 -4.415 3.275 1.00 0.00 C ATOM 290 C LEU A 22 0.234 -3.116 2.667 1.00 0.00 C ATOM 291 O LEU A 22 1.102 -3.138 1.791 1.00 0.00 O ATOM 292 CB LEU A 22 0.681 -4.922 4.340 1.00 0.00 C ATOM 293 CG LEU A 22 0.927 -3.977 5.515 1.00 0.00 C ATOM 294 CD1 LEU A 22 -0.319 -3.868 6.374 1.00 0.00 C ATOM 295 CD2 LEU A 22 2.111 -4.455 6.342 1.00 0.00 C ATOM 0 H LEU A 22 0.352 -5.563 1.652 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.265 -4.203 3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.304 -5.867 4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.637 -5.133 3.861 1.00 0.00 H new ATOM 0 HG LEU A 22 1.161 -2.987 5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.129 -3.191 7.207 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.142 -3.481 5.773 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.583 -4.853 6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.273 -3.771 7.175 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.906 -5.454 6.727 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.004 -4.483 5.717 1.00 0.00 H new ATOM 307 N CYS A 23 -0.283 -1.988 3.145 1.00 0.00 N ATOM 308 CA CYS A 23 0.152 -0.681 2.665 1.00 0.00 C ATOM 309 C CYS A 23 1.556 -0.393 3.179 1.00 0.00 C ATOM 310 O CYS A 23 1.812 -0.462 4.382 1.00 0.00 O ATOM 311 CB CYS A 23 -0.818 0.419 3.118 1.00 0.00 C ATOM 312 SG CYS A 23 -0.356 2.102 2.577 1.00 0.00 S ATOM 0 H CYS A 23 -1.004 -1.953 3.865 1.00 0.00 H new ATOM 0 HA CYS A 23 0.161 -0.692 1.575 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.813 0.188 2.737 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.882 0.405 4.206 1.00 0.00 H new ATOM 317 N SER A 24 2.462 -0.088 2.269 1.00 0.00 N ATOM 318 CA SER A 24 3.837 0.193 2.632 1.00 0.00 C ATOM 319 C SER A 24 4.307 1.464 1.938 1.00 0.00 C ATOM 320 O SER A 24 4.066 1.652 0.747 1.00 0.00 O ATOM 321 CB SER A 24 4.718 -1.000 2.251 1.00 0.00 C ATOM 322 OG SER A 24 4.599 -1.298 0.873 1.00 0.00 O ATOM 0 H SER A 24 2.269 -0.029 1.269 1.00 0.00 H new ATOM 0 HA SER A 24 3.910 0.349 3.708 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.758 -0.780 2.491 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.432 -1.871 2.841 1.00 0.00 H new ATOM 0 HG SER A 24 3.822 -0.830 0.503 1.00 0.00 H new ATOM 328 N CYS A 25 4.957 2.340 2.684 1.00 0.00 N ATOM 329 CA CYS A 25 5.439 3.596 2.135 1.00 0.00 C ATOM 330 C CYS A 25 6.955 3.662 2.251 1.00 0.00 C ATOM 331 O CYS A 25 7.494 4.180 3.229 1.00 0.00 O ATOM 332 CB CYS A 25 4.785 4.771 2.869 1.00 0.00 C ATOM 333 SG CYS A 25 4.488 6.235 1.824 1.00 0.00 S ATOM 0 H CYS A 25 5.164 2.205 3.674 1.00 0.00 H new ATOM 0 HA CYS A 25 5.171 3.657 1.080 1.00 0.00 H new ATOM 0 HB2 CYS A 25 3.835 4.439 3.288 1.00 0.00 H new ATOM 0 HB3 CYS A 25 5.420 5.060 3.707 1.00 0.00 H new ATOM 338 N ILE A 26 7.635 3.111 1.257 1.00 0.00 N ATOM 339 CA ILE A 26 9.093 3.090 1.242 1.00 0.00 C ATOM 340 C ILE A 26 9.665 4.314 0.525 1.00 0.00 C ATOM 341 O ILE A 26 8.956 5.279 0.259 1.00 0.00 O ATOM 342 CB ILE A 26 9.666 1.786 0.621 1.00 0.00 C ATOM 343 CG1 ILE A 26 9.007 1.447 -0.730 1.00 0.00 C ATOM 344 CG2 ILE A 26 9.514 0.631 1.602 1.00 0.00 C ATOM 345 CD1 ILE A 26 7.667 0.739 -0.624 1.00 0.00 C ATOM 0 H ILE A 26 7.200 2.670 0.446 1.00 0.00 H new ATOM 0 HA ILE A 26 9.406 3.120 2.286 1.00 0.00 H new ATOM 0 HB ILE A 26 10.725 1.950 0.424 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.871 2.370 -1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.689 0.820 -1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.918 -0.279 1.158 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.056 0.859 2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.458 0.485 1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.280 0.541 -1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.795 -0.203 -0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.964 1.370 -0.081 1.00 0.00 H new ATOM 357 N PHE A 27 10.963 4.271 0.257 1.00 0.00 N ATOM 358 CA PHE A 27 11.660 5.382 -0.388 1.00 0.00 C ATOM 359 C PHE A 27 11.370 5.481 -1.886 1.00 0.00 C ATOM 360 O PHE A 27 10.823 6.476 -2.353 1.00 0.00 O ATOM 361 CB PHE A 27 13.172 5.241 -0.184 1.00 0.00 C ATOM 362 CG PHE A 27 13.638 5.494 1.225 1.00 0.00 C ATOM 363 CD1 PHE A 27 13.130 4.763 2.290 1.00 0.00 C ATOM 364 CD2 PHE A 27 14.592 6.465 1.483 1.00 0.00 C ATOM 365 CE1 PHE A 27 13.564 4.997 3.580 1.00 0.00 C ATOM 366 CE2 PHE A 27 15.030 6.704 2.772 1.00 0.00 C ATOM 367 CZ PHE A 27 14.515 5.968 3.822 1.00 0.00 C ATOM 0 H PHE A 27 11.560 3.474 0.477 1.00 0.00 H new ATOM 0 HA PHE A 27 11.289 6.293 0.081 1.00 0.00 H new ATOM 0 HB2 PHE A 27 13.473 4.236 -0.478 1.00 0.00 H new ATOM 0 HB3 PHE A 27 13.682 5.935 -0.852 1.00 0.00 H new ATOM 0 HD1 PHE A 27 12.386 4.002 2.108 1.00 0.00 H new ATOM 0 HD2 PHE A 27 14.999 7.043 0.666 1.00 0.00 H new ATOM 0 HE1 PHE A 27 13.160 4.421 4.399 1.00 0.00 H new ATOM 0 HE2 PHE A 27 15.774 7.465 2.958 1.00 0.00 H new ATOM 0 HZ PHE A 27 14.856 6.152 4.830 1.00 0.00 H new ATOM 377 N PHE A 28 11.780 4.463 -2.640 1.00 0.00 N ATOM 378 CA PHE A 28 11.600 4.462 -4.092 1.00 0.00 C ATOM 379 C PHE A 28 10.124 4.383 -4.469 1.00 0.00 C ATOM 380 O PHE A 28 9.673 5.046 -5.401 1.00 0.00 O ATOM 381 CB PHE A 28 12.373 3.301 -4.726 1.00 0.00 C ATOM 382 CG PHE A 28 12.488 3.399 -6.224 1.00 0.00 C ATOM 383 CD1 PHE A 28 12.816 4.603 -6.831 1.00 0.00 C ATOM 384 CD2 PHE A 28 12.271 2.290 -7.022 1.00 0.00 C ATOM 385 CE1 PHE A 28 12.924 4.695 -8.205 1.00 0.00 C ATOM 386 CE2 PHE A 28 12.378 2.375 -8.397 1.00 0.00 C ATOM 387 CZ PHE A 28 12.704 3.580 -8.990 1.00 0.00 C ATOM 0 H PHE A 28 12.238 3.630 -2.271 1.00 0.00 H new ATOM 0 HA PHE A 28 11.995 5.402 -4.477 1.00 0.00 H new ATOM 0 HB2 PHE A 28 13.373 3.264 -4.295 1.00 0.00 H new ATOM 0 HB3 PHE A 28 11.880 2.364 -4.469 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.989 5.478 -6.222 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.015 1.346 -6.565 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.180 5.638 -8.665 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.207 1.501 -9.008 1.00 0.00 H new ATOM 0 HZ PHE A 28 12.787 3.650 -10.065 1.00 0.00 H new ATOM 397 N TYR A 29 9.375 3.581 -3.733 1.00 0.00 N ATOM 398 CA TYR A 29 7.950 3.438 -3.984 1.00 0.00 C ATOM 399 C TYR A 29 7.168 4.171 -2.911 1.00 0.00 C ATOM 400 O TYR A 29 7.415 3.971 -1.725 1.00 0.00 O ATOM 401 CB TYR A 29 7.522 1.965 -3.999 1.00 0.00 C ATOM 402 CG TYR A 29 7.998 1.176 -5.199 1.00 0.00 C ATOM 403 CD1 TYR A 29 9.336 0.833 -5.352 1.00 0.00 C ATOM 404 CD2 TYR A 29 7.101 0.766 -6.176 1.00 0.00 C ATOM 405 CE1 TYR A 29 9.762 0.103 -6.444 1.00 0.00 C ATOM 406 CE2 TYR A 29 7.520 0.038 -7.270 1.00 0.00 C ATOM 407 CZ TYR A 29 8.852 -0.292 -7.400 1.00 0.00 C ATOM 408 OH TYR A 29 9.270 -1.023 -8.485 1.00 0.00 O ATOM 0 H TYR A 29 9.728 3.019 -2.958 1.00 0.00 H new ATOM 0 HA TYR A 29 7.741 3.865 -4.965 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.895 1.484 -3.095 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.434 1.917 -3.959 1.00 0.00 H new ATOM 0 HD1 TYR A 29 10.053 1.142 -4.606 1.00 0.00 H new ATOM 0 HD2 TYR A 29 6.056 1.022 -6.078 1.00 0.00 H new ATOM 0 HE1 TYR A 29 10.805 -0.157 -6.548 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.808 -0.272 -8.021 1.00 0.00 H new ATOM 0 HH TYR A 29 8.503 -1.220 -9.062 1.00 0.00 H new ATOM 418 N PRO A 30 6.210 5.019 -3.305 1.00 0.00 N ATOM 419 CA PRO A 30 5.389 5.769 -2.354 1.00 0.00 C ATOM 420 C PRO A 30 4.474 4.848 -1.554 1.00 0.00 C ATOM 421 O PRO A 30 4.623 3.622 -1.588 1.00 0.00 O ATOM 422 CB PRO A 30 4.560 6.712 -3.241 1.00 0.00 C ATOM 423 CG PRO A 30 5.204 6.664 -4.588 1.00 0.00 C ATOM 424 CD PRO A 30 5.842 5.310 -4.694 1.00 0.00 C ATOM 0 HA PRO A 30 5.995 6.297 -1.618 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.520 6.389 -3.292 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.560 7.726 -2.842 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.467 6.811 -5.378 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.947 7.455 -4.694 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.152 4.567 -5.094 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.713 5.323 -5.350 1.00 0.00 H new ATOM 432 N CYS A 31 3.521 5.433 -0.848 1.00 0.00 N ATOM 433 CA CYS A 31 2.584 4.656 -0.056 1.00 0.00 C ATOM 434 C CYS A 31 1.767 3.762 -0.977 1.00 0.00 C ATOM 435 O CYS A 31 0.887 4.228 -1.687 1.00 0.00 O ATOM 436 CB CYS A 31 1.662 5.576 0.750 1.00 0.00 C ATOM 437 SG CYS A 31 2.495 6.593 2.030 1.00 0.00 S ATOM 0 H CYS A 31 3.376 6.442 -0.807 1.00 0.00 H new ATOM 0 HA CYS A 31 3.141 4.038 0.648 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.146 6.242 0.059 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.899 4.966 1.234 1.00 0.00 H new ATOM 442 N SER A 32 2.086 2.480 -0.985 1.00 0.00 N ATOM 443 CA SER A 32 1.399 1.537 -1.844 1.00 0.00 C ATOM 444 C SER A 32 1.253 0.178 -1.179 1.00 0.00 C ATOM 445 O SER A 32 2.197 -0.334 -0.568 1.00 0.00 O ATOM 446 CB SER A 32 2.171 1.377 -3.159 1.00 0.00 C ATOM 447 OG SER A 32 3.571 1.317 -2.923 1.00 0.00 O ATOM 0 H SER A 32 2.818 2.069 -0.405 1.00 0.00 H new ATOM 0 HA SER A 32 0.401 1.930 -2.039 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.845 0.470 -3.668 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.946 2.213 -3.821 1.00 0.00 H new ATOM 0 HG SER A 32 3.886 2.187 -2.600 1.00 0.00 H new ATOM 453 N CYS A 33 0.079 -0.419 -1.323 1.00 0.00 N ATOM 454 CA CYS A 33 -0.170 -1.732 -0.779 1.00 0.00 C ATOM 455 C CYS A 33 0.583 -2.730 -1.619 1.00 0.00 C ATOM 456 O CYS A 33 0.354 -2.823 -2.826 1.00 0.00 O ATOM 457 CB CYS A 33 -1.658 -2.084 -0.801 1.00 0.00 C ATOM 458 SG CYS A 33 -2.758 -0.756 -0.212 1.00 0.00 S ATOM 0 H CYS A 33 -0.714 -0.008 -1.815 1.00 0.00 H new ATOM 0 HA CYS A 33 0.159 -1.751 0.260 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.941 -2.347 -1.820 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.818 -2.970 -0.187 1.00 0.00 H new ATOM 463 N ARG A 34 1.476 -3.461 -0.985 1.00 0.00 N ATOM 464 CA ARG A 34 2.276 -4.468 -1.654 1.00 0.00 C ATOM 465 C ARG A 34 1.999 -5.793 -0.964 1.00 0.00 C ATOM 466 O ARG A 34 1.385 -5.801 0.106 1.00 0.00 O ATOM 467 CB ARG A 34 3.781 -4.132 -1.583 1.00 0.00 C ATOM 468 CG ARG A 34 4.122 -2.651 -1.726 1.00 0.00 C ATOM 469 CD ARG A 34 3.594 -2.032 -3.016 1.00 0.00 C ATOM 470 NE ARG A 34 4.186 -2.615 -4.224 1.00 0.00 N ATOM 471 CZ ARG A 34 5.482 -2.536 -4.546 1.00 0.00 C ATOM 472 NH1 ARG A 34 6.327 -1.853 -3.780 1.00 0.00 N ATOM 473 NH2 ARG A 34 5.925 -3.123 -5.656 1.00 0.00 N ATOM 0 H ARG A 34 1.669 -3.374 0.013 1.00 0.00 H new ATOM 0 HA ARG A 34 2.011 -4.512 -2.710 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.172 -4.488 -0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.298 -4.685 -2.367 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.711 -2.107 -0.875 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.205 -2.529 -1.689 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.512 -2.156 -3.054 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.792 -0.960 -3.004 1.00 0.00 H new ATOM 0 HE ARG A 34 3.567 -3.115 -4.863 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.989 -1.384 -2.940 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.314 -1.798 -4.033 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.277 -3.631 -6.258 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.913 -3.065 -5.904 1.00 0.00 H new ATOM 487 N PRO A 35 2.416 -6.923 -1.558 1.00 0.00 N ATOM 488 CA PRO A 35 2.198 -8.254 -0.975 1.00 0.00 C ATOM 489 C PRO A 35 2.580 -8.317 0.507 1.00 0.00 C ATOM 490 O PRO A 35 3.279 -7.441 1.025 1.00 0.00 O ATOM 491 CB PRO A 35 3.119 -9.151 -1.796 1.00 0.00 C ATOM 492 CG PRO A 35 3.234 -8.478 -3.118 1.00 0.00 C ATOM 493 CD PRO A 35 3.116 -7.000 -2.854 1.00 0.00 C ATOM 0 HA PRO A 35 1.148 -8.544 -1.009 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.094 -9.256 -1.320 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.705 -10.154 -1.898 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.187 -8.713 -3.592 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.449 -8.815 -3.795 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.095 -6.524 -2.807 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.554 -6.498 -3.641 1.00 0.00 H new ATOM 501 N LYS A 36 2.119 -9.355 1.189 1.00 0.00 N ATOM 502 CA LYS A 36 2.408 -9.517 2.606 1.00 0.00 C ATOM 503 C LYS A 36 3.835 -10.018 2.784 1.00 0.00 C ATOM 504 O LYS A 36 4.078 -11.184 3.095 1.00 0.00 O ATOM 505 CB LYS A 36 1.401 -10.477 3.241 1.00 0.00 C ATOM 506 CG LYS A 36 1.480 -10.535 4.761 1.00 0.00 C ATOM 507 CD LYS A 36 1.188 -9.180 5.385 1.00 0.00 C ATOM 508 CE LYS A 36 1.261 -9.236 6.902 1.00 0.00 C ATOM 509 NZ LYS A 36 0.272 -10.191 7.472 1.00 0.00 N ATOM 0 H LYS A 36 1.545 -10.095 0.786 1.00 0.00 H new ATOM 0 HA LYS A 36 2.317 -8.554 3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.394 -10.177 2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.564 -11.477 2.840 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.768 -11.271 5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.473 -10.870 5.063 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.902 -8.446 5.013 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.197 -8.844 5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.266 -9.530 7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.082 -8.241 7.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.198 -10.042 8.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.657 -10.033 7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.583 -11.166 7.285 1.00 0.00 H new ATOM 523 N GLY A 37 4.760 -9.106 2.548 1.00 0.00 N ATOM 524 CA GLY A 37 6.173 -9.400 2.634 1.00 0.00 C ATOM 525 C GLY A 37 6.875 -9.070 1.331 1.00 0.00 C ATOM 526 O GLY A 37 7.935 -9.624 1.036 1.00 0.00 O ATOM 0 H GLY A 37 4.550 -8.141 2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.619 -8.827 3.447 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.315 -10.454 2.871 1.00 0.00 H new ATOM 530 N TRP A 38 6.255 -8.163 0.560 1.00 0.00 N ATOM 531 CA TRP A 38 6.763 -7.721 -0.740 1.00 0.00 C ATOM 532 C TRP A 38 6.605 -8.806 -1.799 1.00 0.00 C ATOM 533 O TRP A 38 6.092 -9.896 -1.464 1.00 0.00 O ATOM 534 CB TRP A 38 8.223 -7.271 -0.656 1.00 0.00 C ATOM 535 CG TRP A 38 8.394 -5.788 -0.507 1.00 0.00 C ATOM 536 CD1 TRP A 38 8.982 -4.953 -1.408 1.00 0.00 C ATOM 537 CD2 TRP A 38 7.993 -4.966 0.599 1.00 0.00 C ATOM 538 NE1 TRP A 38 8.981 -3.664 -0.933 1.00 0.00 N ATOM 539 CE2 TRP A 38 8.378 -3.647 0.297 1.00 0.00 C ATOM 540 CE3 TRP A 38 7.348 -5.215 1.815 1.00 0.00 C ATOM 541 CZ2 TRP A 38 8.143 -2.585 1.164 1.00 0.00 C ATOM 542 CZ3 TRP A 38 7.115 -4.158 2.674 1.00 0.00 C ATOM 543 CH2 TRP A 38 7.512 -2.859 2.345 1.00 0.00 C ATOM 544 OXT TRP A 38 6.958 -8.542 -2.969 1.00 0.00 O ATOM 0 H TRP A 38 5.379 -7.714 0.828 1.00 0.00 H new ATOM 0 HA TRP A 38 6.162 -6.862 -1.036 1.00 0.00 H new ATOM 0 HB2 TRP A 38 8.698 -7.768 0.189 1.00 0.00 H new ATOM 0 HB3 TRP A 38 8.746 -7.599 -1.554 1.00 0.00 H new ATOM 0 HD1 TRP A 38 9.390 -5.260 -2.359 1.00 0.00 H new ATOM 0 HE1 TRP A 38 9.366 -2.853 -1.417 1.00 0.00 H new ATOM 0 HE3 TRP A 38 7.038 -6.216 2.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 8.448 -1.580 0.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 6.618 -4.339 3.616 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.316 -2.055 3.039 1.00 0.00 H new