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+ -166:sc= 0.666 (180deg=0.195) USER MOD Single : A 1 LYS NZ :NH3+ 160:sc= -0.109 (180deg=-0.527) USER MOD Single : A 10 SER OG : rot -140:sc= -0.179 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+ 171:sc=-0.00664 (180deg=-0.136) USER MOD Single : A 21 TYR OH : rot 102:sc= 1.26 USER MOD Single : A 24 SER OG : rot -24:sc= 0.772 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -66:sc= 1.05 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -14.257 -0.434 -0.026 1.00 0.00 N ATOM 2 CA LYS A 1 -13.517 -1.277 -0.995 1.00 0.00 C ATOM 3 C LYS A 1 -12.174 -1.646 -0.415 1.00 0.00 C ATOM 4 O LYS A 1 -11.980 -1.600 0.799 1.00 0.00 O ATOM 5 CB LYS A 1 -13.321 -0.484 -2.296 1.00 0.00 C ATOM 6 CG LYS A 1 -14.600 0.081 -2.896 1.00 0.00 C ATOM 7 CD LYS A 1 -15.420 -0.990 -3.594 1.00 0.00 C ATOM 8 CE LYS A 1 -16.597 -0.387 -4.350 1.00 0.00 C ATOM 9 NZ LYS A 1 -16.155 0.591 -5.386 1.00 0.00 N ATOM 0 H1 LYS A 1 -15.256 -0.375 -0.309 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.190 -0.855 0.923 1.00 0.00 H new ATOM 0 H3 LYS A 1 -13.845 0.521 -0.011 1.00 0.00 H new ATOM 0 HA LYS A 1 -14.079 -2.188 -1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -12.632 0.338 -2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -12.846 -1.132 -3.032 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -15.198 0.541 -2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -14.350 0.868 -3.607 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -14.785 -1.542 -4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -15.787 -1.706 -2.859 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -17.169 -1.184 -4.825 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -17.265 0.109 -3.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -16.912 0.720 -6.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -15.942 1.503 -4.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -15.302 0.232 -5.860 1.00 0.00 H new ATOM 25 N CYS A 2 -11.248 -1.979 -1.283 1.00 0.00 N ATOM 26 CA CYS A 2 -9.910 -2.312 -0.858 1.00 0.00 C ATOM 27 C CYS A 2 -8.937 -2.161 -2.007 1.00 0.00 C ATOM 28 O CYS A 2 -9.303 -2.290 -3.177 1.00 0.00 O ATOM 29 CB CYS A 2 -9.819 -3.714 -0.248 1.00 0.00 C ATOM 30 SG CYS A 2 -10.134 -5.091 -1.396 1.00 0.00 S ATOM 0 H CYS A 2 -11.398 -2.026 -2.291 1.00 0.00 H new ATOM 0 HA CYS A 2 -9.640 -1.609 -0.070 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -8.825 -3.841 0.180 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -10.531 -3.780 0.575 1.00 0.00 H new ATOM 35 N LEU A 3 -7.708 -1.855 -1.654 1.00 0.00 N ATOM 36 CA LEU A 3 -6.646 -1.651 -2.623 1.00 0.00 C ATOM 37 C LEU A 3 -5.982 -2.976 -2.983 1.00 0.00 C ATOM 38 O LEU A 3 -5.474 -3.678 -2.111 1.00 0.00 O ATOM 39 CB LEU A 3 -5.630 -0.681 -2.039 1.00 0.00 C ATOM 40 CG LEU A 3 -6.198 0.685 -1.646 1.00 0.00 C ATOM 41 CD1 LEU A 3 -5.119 1.555 -1.026 1.00 0.00 C ATOM 42 CD2 LEU A 3 -6.814 1.378 -2.853 1.00 0.00 C ATOM 0 H LEU A 3 -7.413 -1.740 -0.684 1.00 0.00 H new ATOM 0 HA LEU A 3 -7.064 -1.233 -3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.177 -1.137 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.832 -0.531 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.981 0.528 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.543 2.522 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.726 1.067 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.313 1.702 -1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.212 2.347 -2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.052 1.521 -3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.620 0.763 -3.253 1.00 0.00 H new ATOM 54 N ALA A 4 -6.001 -3.323 -4.261 1.00 0.00 N ATOM 55 CA ALA A 4 -5.419 -4.579 -4.720 1.00 0.00 C ATOM 56 C ALA A 4 -3.898 -4.503 -4.834 1.00 0.00 C ATOM 57 O ALA A 4 -3.255 -3.624 -4.252 1.00 0.00 O ATOM 58 CB ALA A 4 -6.035 -4.975 -6.055 1.00 0.00 C ATOM 0 H ALA A 4 -6.413 -2.754 -5.000 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.644 -5.341 -3.974 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.597 -5.914 -6.394 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.111 -5.099 -5.937 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.838 -4.196 -6.792 1.00 0.00 H new ATOM 64 N GLU A 5 -3.334 -5.445 -5.576 1.00 0.00 N ATOM 65 CA GLU A 5 -1.900 -5.528 -5.777 1.00 0.00 C ATOM 66 C GLU A 5 -1.362 -4.313 -6.524 1.00 0.00 C ATOM 67 O GLU A 5 -1.838 -3.964 -7.603 1.00 0.00 O ATOM 68 CB GLU A 5 -1.521 -6.818 -6.524 1.00 0.00 C ATOM 69 CG GLU A 5 -2.285 -7.057 -7.825 1.00 0.00 C ATOM 70 CD GLU A 5 -3.679 -7.624 -7.611 1.00 0.00 C ATOM 71 OE1 GLU A 5 -4.048 -7.883 -6.442 1.00 0.00 O ATOM 72 OE2 GLU A 5 -4.404 -7.810 -8.606 1.00 0.00 O ATOM 0 H GLU A 5 -3.862 -6.174 -6.056 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.440 -5.546 -4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.454 -6.792 -6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.688 -7.667 -5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.363 -6.116 -8.370 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.714 -7.742 -8.452 1.00 0.00 H new ATOM 79 N ALA A 6 -0.370 -3.679 -5.911 1.00 0.00 N ATOM 80 CA ALA A 6 0.280 -2.491 -6.458 1.00 0.00 C ATOM 81 C ALA A 6 -0.700 -1.336 -6.587 1.00 0.00 C ATOM 82 O ALA A 6 -0.740 -0.652 -7.607 1.00 0.00 O ATOM 83 CB ALA A 6 0.941 -2.797 -7.798 1.00 0.00 C ATOM 0 H ALA A 6 0.010 -3.976 -5.012 1.00 0.00 H new ATOM 0 HA ALA A 6 1.060 -2.189 -5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.417 -1.895 -8.183 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.692 -3.575 -7.664 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.186 -3.139 -8.506 1.00 0.00 H new ATOM 89 N ALA A 7 -1.489 -1.118 -5.546 1.00 0.00 N ATOM 90 CA ALA A 7 -2.461 -0.030 -5.565 1.00 0.00 C ATOM 91 C ALA A 7 -2.070 1.060 -4.580 1.00 0.00 C ATOM 92 O ALA A 7 -1.989 0.808 -3.379 1.00 0.00 O ATOM 93 CB ALA A 7 -3.853 -0.556 -5.254 1.00 0.00 C ATOM 0 H ALA A 7 -1.479 -1.670 -4.688 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.470 0.403 -6.565 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.566 0.268 -5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.137 -1.298 -6.001 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.856 -1.016 -4.266 1.00 0.00 H new ATOM 99 N ASP A 8 -1.811 2.261 -5.093 1.00 0.00 N ATOM 100 CA ASP A 8 -1.404 3.390 -4.256 1.00 0.00 C ATOM 101 C ASP A 8 -2.425 3.675 -3.164 1.00 0.00 C ATOM 102 O ASP A 8 -3.633 3.735 -3.413 1.00 0.00 O ATOM 103 CB ASP A 8 -1.159 4.642 -5.101 1.00 0.00 C ATOM 104 CG ASP A 8 0.121 4.544 -5.912 1.00 0.00 C ATOM 105 OD1 ASP A 8 0.205 3.652 -6.784 1.00 0.00 O ATOM 106 OD2 ASP A 8 1.048 5.346 -5.668 1.00 0.00 O ATOM 0 H ASP A 8 -1.876 2.479 -6.087 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.467 3.112 -3.773 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.003 4.795 -5.774 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.109 5.514 -4.449 1.00 0.00 H new ATOM 111 N CYS A 9 -1.922 3.820 -1.951 1.00 0.00 N ATOM 112 CA CYS A 9 -2.755 4.070 -0.788 1.00 0.00 C ATOM 113 C CYS A 9 -3.096 5.548 -0.655 1.00 0.00 C ATOM 114 O CYS A 9 -2.363 6.416 -1.130 1.00 0.00 O ATOM 115 CB CYS A 9 -2.040 3.584 0.470 1.00 0.00 C ATOM 116 SG CYS A 9 -1.037 2.085 0.199 1.00 0.00 S ATOM 0 H CYS A 9 -0.925 3.768 -1.744 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.689 3.522 -0.914 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.396 4.380 0.844 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.780 3.382 1.245 1.00 0.00 H new ATOM 121 N SER A 10 -4.208 5.827 0.005 1.00 0.00 N ATOM 122 CA SER A 10 -4.646 7.194 0.217 1.00 0.00 C ATOM 123 C SER A 10 -3.857 7.821 1.366 1.00 0.00 C ATOM 124 O SER A 10 -3.715 7.220 2.428 1.00 0.00 O ATOM 125 CB SER A 10 -6.140 7.208 0.519 1.00 0.00 C ATOM 126 OG SER A 10 -6.849 6.433 -0.433 1.00 0.00 O ATOM 0 H SER A 10 -4.825 5.120 0.404 1.00 0.00 H new ATOM 0 HA SER A 10 -4.464 7.780 -0.684 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.318 6.816 1.520 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.509 8.234 0.508 1.00 0.00 H new ATOM 0 HG SER A 10 -7.686 6.886 -0.666 1.00 0.00 H new ATOM 132 N PRO A 11 -3.310 9.026 1.147 1.00 0.00 N ATOM 133 CA PRO A 11 -2.498 9.732 2.150 1.00 0.00 C ATOM 134 C PRO A 11 -3.272 10.111 3.415 1.00 0.00 C ATOM 135 O PRO A 11 -2.862 9.769 4.520 1.00 0.00 O ATOM 136 CB PRO A 11 -2.034 10.995 1.412 1.00 0.00 C ATOM 137 CG PRO A 11 -3.003 11.166 0.292 1.00 0.00 C ATOM 138 CD PRO A 11 -3.410 9.781 -0.111 1.00 0.00 C ATOM 0 HA PRO A 11 -1.688 9.098 2.511 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.038 11.862 2.073 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.016 10.883 1.039 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.867 11.751 0.608 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.546 11.698 -0.543 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.422 9.760 -0.515 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.752 9.374 -0.879 1.00 0.00 H new ATOM 146 N TRP A 12 -4.376 10.832 3.253 1.00 0.00 N ATOM 147 CA TRP A 12 -5.170 11.260 4.400 1.00 0.00 C ATOM 148 C TRP A 12 -6.072 10.138 4.899 1.00 0.00 C ATOM 149 O TRP A 12 -6.074 9.814 6.085 1.00 0.00 O ATOM 150 CB TRP A 12 -6.017 12.487 4.052 1.00 0.00 C ATOM 151 CG TRP A 12 -5.210 13.676 3.627 1.00 0.00 C ATOM 152 CD1 TRP A 12 -4.570 14.565 4.443 1.00 0.00 C ATOM 153 CD2 TRP A 12 -4.979 14.124 2.286 1.00 0.00 C ATOM 154 NE1 TRP A 12 -3.938 15.525 3.691 1.00 0.00 N ATOM 155 CE2 TRP A 12 -4.178 15.279 2.364 1.00 0.00 C ATOM 156 CE3 TRP A 12 -5.366 13.657 1.027 1.00 0.00 C ATOM 157 CZ2 TRP A 12 -3.757 15.972 1.231 1.00 0.00 C ATOM 158 CZ3 TRP A 12 -4.950 14.347 -0.097 1.00 0.00 C ATOM 159 CH2 TRP A 12 -4.151 15.493 0.012 1.00 0.00 C ATOM 0 H TRP A 12 -4.739 11.130 2.348 1.00 0.00 H new ATOM 0 HA TRP A 12 -4.473 11.525 5.195 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.709 12.224 3.252 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -6.620 12.759 4.919 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.562 14.520 5.522 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.381 16.296 4.060 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -5.979 12.773 0.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.142 16.856 1.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -5.246 13.997 -1.075 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -3.840 16.008 -0.885 1.00 0.00 H new ATOM 170 N SER A 13 -6.843 9.558 3.989 1.00 0.00 N ATOM 171 CA SER A 13 -7.762 8.480 4.331 1.00 0.00 C ATOM 172 C SER A 13 -8.407 7.910 3.073 1.00 0.00 C ATOM 173 O SER A 13 -8.597 8.624 2.088 1.00 0.00 O ATOM 174 CB SER A 13 -8.840 8.983 5.300 1.00 0.00 C ATOM 175 OG SER A 13 -9.371 10.229 4.879 1.00 0.00 O ATOM 0 H SER A 13 -6.850 9.818 3.003 1.00 0.00 H new ATOM 0 HA SER A 13 -7.196 7.687 4.821 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.642 8.248 5.368 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.415 9.085 6.299 1.00 0.00 H new ATOM 0 HG SER A 13 -10.056 10.524 5.514 1.00 0.00 H new ATOM 181 N GLY A 14 -8.730 6.625 3.111 1.00 0.00 N ATOM 182 CA GLY A 14 -9.347 5.974 1.974 1.00 0.00 C ATOM 183 C GLY A 14 -9.602 4.508 2.244 1.00 0.00 C ATOM 184 O GLY A 14 -9.789 4.113 3.396 1.00 0.00 O ATOM 0 H GLY A 14 -8.574 6.018 3.916 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.288 6.470 1.736 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.703 6.077 1.101 1.00 0.00 H new ATOM 188 N ASP A 15 -9.597 3.701 1.193 1.00 0.00 N ATOM 189 CA ASP A 15 -9.824 2.268 1.333 1.00 0.00 C ATOM 190 C ASP A 15 -8.565 1.559 1.799 1.00 0.00 C ATOM 191 O ASP A 15 -7.447 1.953 1.463 1.00 0.00 O ATOM 192 CB ASP A 15 -10.307 1.641 0.022 1.00 0.00 C ATOM 193 CG ASP A 15 -11.799 1.812 -0.208 1.00 0.00 C ATOM 194 OD1 ASP A 15 -12.591 1.420 0.676 1.00 0.00 O ATOM 195 OD2 ASP A 15 -12.189 2.284 -1.294 1.00 0.00 O ATOM 0 H ASP A 15 -9.439 4.012 0.235 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.604 2.144 2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.764 2.090 -0.810 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.066 0.578 0.024 1.00 0.00 H new ATOM 200 N SER A 16 -8.761 0.506 2.569 1.00 0.00 N ATOM 201 CA SER A 16 -7.661 -0.289 3.088 1.00 0.00 C ATOM 202 C SER A 16 -7.219 -1.315 2.049 1.00 0.00 C ATOM 203 O SER A 16 -7.990 -1.677 1.167 1.00 0.00 O ATOM 204 CB SER A 16 -8.094 -0.989 4.375 1.00 0.00 C ATOM 205 OG SER A 16 -8.642 -0.056 5.292 1.00 0.00 O ATOM 0 H SER A 16 -9.684 0.177 2.853 1.00 0.00 H new ATOM 0 HA SER A 16 -6.818 0.366 3.308 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.832 -1.758 4.146 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.239 -1.492 4.827 1.00 0.00 H new ATOM 0 HG SER A 16 -8.915 -0.523 6.109 1.00 0.00 H new ATOM 211 N CYS A 17 -5.982 -1.772 2.147 1.00 0.00 N ATOM 212 CA CYS A 17 -5.456 -2.755 1.205 1.00 0.00 C ATOM 213 C CYS A 17 -6.216 -4.076 1.317 1.00 0.00 C ATOM 214 O CYS A 17 -6.542 -4.517 2.421 1.00 0.00 O ATOM 215 CB CYS A 17 -3.976 -3.020 1.482 1.00 0.00 C ATOM 216 SG CYS A 17 -2.938 -1.528 1.545 1.00 0.00 S ATOM 0 H CYS A 17 -5.321 -1.481 2.867 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.579 -2.349 0.201 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.887 -3.549 2.431 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.588 -3.684 0.709 1.00 0.00 H new ATOM 221 N CYS A 18 -6.466 -4.715 0.180 1.00 0.00 N ATOM 222 CA CYS A 18 -7.145 -6.002 0.156 1.00 0.00 C ATOM 223 C CYS A 18 -6.284 -7.020 0.867 1.00 0.00 C ATOM 224 O CYS A 18 -5.059 -6.933 0.848 1.00 0.00 O ATOM 225 CB CYS A 18 -7.398 -6.478 -1.283 1.00 0.00 C ATOM 226 SG CYS A 18 -8.349 -5.331 -2.337 1.00 0.00 S ATOM 0 H CYS A 18 -6.207 -4.360 -0.740 1.00 0.00 H new ATOM 0 HA CYS A 18 -8.109 -5.892 0.653 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.436 -6.667 -1.759 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -7.927 -7.430 -1.244 1.00 0.00 H new ATOM 231 N LYS A 19 -6.915 -7.980 1.500 1.00 0.00 N ATOM 232 CA LYS A 19 -6.179 -8.997 2.210 1.00 0.00 C ATOM 233 C LYS A 19 -5.644 -10.037 1.234 1.00 0.00 C ATOM 234 O LYS A 19 -6.306 -10.381 0.254 1.00 0.00 O ATOM 235 CB LYS A 19 -7.048 -9.663 3.283 1.00 0.00 C ATOM 236 CG LYS A 19 -8.175 -10.547 2.748 1.00 0.00 C ATOM 237 CD LYS A 19 -9.330 -9.736 2.175 1.00 0.00 C ATOM 238 CE LYS A 19 -10.376 -10.636 1.533 1.00 0.00 C ATOM 239 NZ LYS A 19 -10.938 -11.621 2.499 1.00 0.00 N ATOM 0 H LYS A 19 -7.930 -8.078 1.538 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.338 -8.519 2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.407 -10.267 3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.484 -8.885 3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.780 -11.206 1.975 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.546 -11.184 3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.792 -9.147 2.968 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.950 -9.032 1.435 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.183 -10.023 1.130 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.929 -11.168 0.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.748 -12.108 2.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.208 -12.318 2.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.251 -11.125 3.358 1.00 0.00 H new ATOM 253 N PRO A 20 -4.425 -10.527 1.481 1.00 0.00 N ATOM 254 CA PRO A 20 -3.620 -10.144 2.622 1.00 0.00 C ATOM 255 C PRO A 20 -2.465 -9.191 2.270 1.00 0.00 C ATOM 256 O PRO A 20 -1.361 -9.346 2.792 1.00 0.00 O ATOM 257 CB PRO A 20 -3.066 -11.505 3.035 1.00 0.00 C ATOM 258 CG PRO A 20 -2.903 -12.261 1.741 1.00 0.00 C ATOM 259 CD PRO A 20 -3.722 -11.536 0.689 1.00 0.00 C ATOM 0 HA PRO A 20 -4.186 -9.600 3.379 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.114 -11.403 3.557 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.747 -12.021 3.712 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.853 -12.303 1.450 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.244 -13.290 1.852 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.092 -11.085 -0.077 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.413 -12.207 0.179 1.00 0.00 H new ATOM 267 N TYR A 21 -2.707 -8.215 1.397 1.00 0.00 N ATOM 268 CA TYR A 21 -1.657 -7.270 1.005 1.00 0.00 C ATOM 269 C TYR A 21 -1.339 -6.290 2.133 1.00 0.00 C ATOM 270 O TYR A 21 -1.930 -6.345 3.218 1.00 0.00 O ATOM 271 CB TYR A 21 -2.037 -6.492 -0.270 1.00 0.00 C ATOM 272 CG TYR A 21 -2.358 -7.376 -1.455 1.00 0.00 C ATOM 273 CD1 TYR A 21 -3.611 -7.960 -1.601 1.00 0.00 C ATOM 274 CD2 TYR A 21 -1.407 -7.618 -2.437 1.00 0.00 C ATOM 275 CE1 TYR A 21 -3.904 -8.761 -2.687 1.00 0.00 C ATOM 276 CE2 TYR A 21 -1.693 -8.418 -3.525 1.00 0.00 C ATOM 277 CZ TYR A 21 -2.942 -8.987 -3.646 1.00 0.00 C ATOM 278 OH TYR A 21 -3.228 -9.780 -4.728 1.00 0.00 O ATOM 0 H TYR A 21 -3.610 -8.056 0.950 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.766 -7.862 0.794 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.900 -5.861 -0.055 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.215 -5.828 -0.537 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.369 -7.784 -0.852 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.427 -7.173 -2.348 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.882 -9.208 -2.784 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.940 -8.597 -4.279 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.398 -9.216 -5.511 1.00 0.00 H new ATOM 288 N LEU A 22 -0.390 -5.404 1.867 1.00 0.00 N ATOM 289 CA LEU A 22 0.039 -4.409 2.836 1.00 0.00 C ATOM 290 C LEU A 22 0.562 -3.175 2.111 1.00 0.00 C ATOM 291 O LEU A 22 1.252 -3.290 1.098 1.00 0.00 O ATOM 292 CB LEU A 22 1.130 -4.995 3.738 1.00 0.00 C ATOM 293 CG LEU A 22 1.660 -4.055 4.823 1.00 0.00 C ATOM 294 CD1 LEU A 22 0.558 -3.703 5.811 1.00 0.00 C ATOM 295 CD2 LEU A 22 2.841 -4.687 5.543 1.00 0.00 C ATOM 0 H LEU A 22 0.103 -5.356 0.975 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.811 -4.122 3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.738 -5.892 4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.966 -5.308 3.112 1.00 0.00 H new ATOM 0 HG LEU A 22 1.999 -3.135 4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.954 -3.034 6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.259 -3.209 5.284 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.188 -4.613 6.283 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.206 -4.005 6.311 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.526 -5.622 6.007 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.638 -4.887 4.827 1.00 0.00 H new ATOM 307 N CYS A 23 0.219 -2.002 2.618 1.00 0.00 N ATOM 308 CA CYS A 23 0.648 -0.755 2.005 1.00 0.00 C ATOM 309 C CYS A 23 2.136 -0.518 2.226 1.00 0.00 C ATOM 310 O CYS A 23 2.574 -0.256 3.348 1.00 0.00 O ATOM 311 CB CYS A 23 -0.155 0.420 2.566 1.00 0.00 C ATOM 312 SG CYS A 23 0.227 2.021 1.785 1.00 0.00 S ATOM 0 H CYS A 23 -0.356 -1.887 3.453 1.00 0.00 H new ATOM 0 HA CYS A 23 0.467 -0.831 0.933 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.218 0.212 2.443 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.033 0.496 3.637 1.00 0.00 H new ATOM 317 N SER A 24 2.907 -0.586 1.152 1.00 0.00 N ATOM 318 CA SER A 24 4.333 -0.345 1.240 1.00 0.00 C ATOM 319 C SER A 24 4.576 1.152 1.148 1.00 0.00 C ATOM 320 O SER A 24 4.388 1.759 0.099 1.00 0.00 O ATOM 321 CB SER A 24 5.091 -1.103 0.145 1.00 0.00 C ATOM 322 OG SER A 24 4.644 -0.749 -1.152 1.00 0.00 O ATOM 0 H SER A 24 2.569 -0.805 0.215 1.00 0.00 H new ATOM 0 HA SER A 24 4.709 -0.715 2.194 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.157 -0.894 0.231 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.964 -2.176 0.292 1.00 0.00 H new ATOM 0 HG SER A 24 3.728 -0.406 -1.100 1.00 0.00 H new ATOM 328 N CYS A 25 4.945 1.741 2.266 1.00 0.00 N ATOM 329 CA CYS A 25 5.170 3.176 2.341 1.00 0.00 C ATOM 330 C CYS A 25 6.615 3.460 2.734 1.00 0.00 C ATOM 331 O CYS A 25 6.881 4.088 3.757 1.00 0.00 O ATOM 332 CB CYS A 25 4.194 3.784 3.360 1.00 0.00 C ATOM 333 SG CYS A 25 3.753 5.536 3.086 1.00 0.00 S ATOM 0 H CYS A 25 5.098 1.246 3.145 1.00 0.00 H new ATOM 0 HA CYS A 25 4.993 3.630 1.366 1.00 0.00 H new ATOM 0 HB2 CYS A 25 3.278 3.193 3.356 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.630 3.689 4.354 1.00 0.00 H new ATOM 338 N ILE A 26 7.554 2.977 1.923 1.00 0.00 N ATOM 339 CA ILE A 26 8.967 3.186 2.204 1.00 0.00 C ATOM 340 C ILE A 26 9.479 4.471 1.554 1.00 0.00 C ATOM 341 O ILE A 26 8.702 5.285 1.067 1.00 0.00 O ATOM 342 CB ILE A 26 9.847 1.984 1.788 1.00 0.00 C ATOM 343 CG1 ILE A 26 9.583 1.562 0.346 1.00 0.00 C ATOM 344 CG2 ILE A 26 9.614 0.807 2.726 1.00 0.00 C ATOM 345 CD1 ILE A 26 10.737 0.794 -0.263 1.00 0.00 C ATOM 0 H ILE A 26 7.362 2.444 1.075 1.00 0.00 H new ATOM 0 HA ILE A 26 9.048 3.284 3.287 1.00 0.00 H new ATOM 0 HB ILE A 26 10.888 2.301 1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.685 0.946 0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.385 2.449 -0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.240 -0.031 2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.869 1.098 3.745 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.566 0.511 2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 26 10.491 0.521 -1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 26 11.632 1.417 -0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 26 10.920 -0.109 0.319 1.00 0.00 H new ATOM 357 N PHE A 27 10.792 4.656 1.596 1.00 0.00 N ATOM 358 CA PHE A 27 11.434 5.858 1.063 1.00 0.00 C ATOM 359 C PHE A 27 11.332 5.987 -0.461 1.00 0.00 C ATOM 360 O PHE A 27 10.510 6.738 -0.975 1.00 0.00 O ATOM 361 CB PHE A 27 12.914 5.890 1.466 1.00 0.00 C ATOM 362 CG PHE A 27 13.159 5.984 2.951 1.00 0.00 C ATOM 363 CD1 PHE A 27 12.790 4.953 3.804 1.00 0.00 C ATOM 364 CD2 PHE A 27 13.773 7.103 3.490 1.00 0.00 C ATOM 365 CE1 PHE A 27 13.024 5.040 5.162 1.00 0.00 C ATOM 366 CE2 PHE A 27 14.012 7.194 4.848 1.00 0.00 C ATOM 367 CZ PHE A 27 13.636 6.162 5.686 1.00 0.00 C ATOM 0 H PHE A 27 11.443 3.982 1.998 1.00 0.00 H new ATOM 0 HA PHE A 27 10.894 6.700 1.495 1.00 0.00 H new ATOM 0 HB2 PHE A 27 13.400 4.991 1.087 1.00 0.00 H new ATOM 0 HB3 PHE A 27 13.392 6.740 0.978 1.00 0.00 H new ATOM 0 HD1 PHE A 27 12.314 4.072 3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 27 14.068 7.914 2.841 1.00 0.00 H new ATOM 0 HE1 PHE A 27 12.729 4.231 5.814 1.00 0.00 H new ATOM 0 HE2 PHE A 27 14.493 8.072 5.254 1.00 0.00 H new ATOM 0 HZ PHE A 27 13.820 6.232 6.748 1.00 0.00 H new ATOM 377 N PHE A 28 12.216 5.295 -1.173 1.00 0.00 N ATOM 378 CA PHE A 28 12.270 5.379 -2.636 1.00 0.00 C ATOM 379 C PHE A 28 11.213 4.530 -3.348 1.00 0.00 C ATOM 380 O PHE A 28 11.463 4.006 -4.433 1.00 0.00 O ATOM 381 CB PHE A 28 13.678 5.018 -3.133 1.00 0.00 C ATOM 382 CG PHE A 28 14.334 3.886 -2.385 1.00 0.00 C ATOM 383 CD1 PHE A 28 13.725 2.645 -2.283 1.00 0.00 C ATOM 384 CD2 PHE A 28 15.570 4.068 -1.785 1.00 0.00 C ATOM 385 CE1 PHE A 28 14.333 1.612 -1.598 1.00 0.00 C ATOM 386 CE2 PHE A 28 16.183 3.039 -1.099 1.00 0.00 C ATOM 387 CZ PHE A 28 15.564 1.808 -1.005 1.00 0.00 C ATOM 0 H PHE A 28 12.908 4.667 -0.763 1.00 0.00 H new ATOM 0 HA PHE A 28 12.039 6.413 -2.891 1.00 0.00 H new ATOM 0 HB2 PHE A 28 13.620 4.754 -4.189 1.00 0.00 H new ATOM 0 HB3 PHE A 28 14.313 5.901 -3.060 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.762 2.484 -2.745 1.00 0.00 H new ATOM 0 HD2 PHE A 28 16.060 5.028 -1.855 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.846 0.651 -1.526 1.00 0.00 H new ATOM 0 HE2 PHE A 28 17.146 3.196 -0.636 1.00 0.00 H new ATOM 0 HZ PHE A 28 16.042 1.001 -0.469 1.00 0.00 H new ATOM 397 N TYR A 29 10.027 4.439 -2.768 1.00 0.00 N ATOM 398 CA TYR A 29 8.926 3.696 -3.376 1.00 0.00 C ATOM 399 C TYR A 29 7.596 4.326 -3.006 1.00 0.00 C ATOM 400 O TYR A 29 7.342 4.602 -1.836 1.00 0.00 O ATOM 401 CB TYR A 29 8.915 2.221 -2.954 1.00 0.00 C ATOM 402 CG TYR A 29 9.696 1.295 -3.865 1.00 0.00 C ATOM 403 CD1 TYR A 29 11.069 1.140 -3.737 1.00 0.00 C ATOM 404 CD2 TYR A 29 9.043 0.559 -4.846 1.00 0.00 C ATOM 405 CE1 TYR A 29 11.772 0.285 -4.563 1.00 0.00 C ATOM 406 CE2 TYR A 29 9.738 -0.300 -5.675 1.00 0.00 C ATOM 407 CZ TYR A 29 11.101 -0.433 -5.530 1.00 0.00 C ATOM 408 OH TYR A 29 11.794 -1.288 -6.353 1.00 0.00 O ATOM 0 H TYR A 29 9.798 4.871 -1.873 1.00 0.00 H new ATOM 0 HA TYR A 29 9.076 3.739 -4.455 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.321 2.143 -1.945 1.00 0.00 H new ATOM 0 HB3 TYR A 29 7.881 1.878 -2.909 1.00 0.00 H new ATOM 0 HD1 TYR A 29 11.597 1.698 -2.978 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.974 0.660 -4.962 1.00 0.00 H new ATOM 0 HE1 TYR A 29 12.841 0.179 -4.452 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.215 -0.864 -6.433 1.00 0.00 H new ATOM 0 HH TYR A 29 11.172 -1.717 -6.977 1.00 0.00 H new ATOM 418 N PRO A 30 6.725 4.553 -4.002 1.00 0.00 N ATOM 419 CA PRO A 30 5.406 5.145 -3.775 1.00 0.00 C ATOM 420 C PRO A 30 4.568 4.272 -2.854 1.00 0.00 C ATOM 421 O PRO A 30 4.479 3.055 -3.053 1.00 0.00 O ATOM 422 CB PRO A 30 4.777 5.203 -5.173 1.00 0.00 C ATOM 423 CG PRO A 30 5.920 5.079 -6.122 1.00 0.00 C ATOM 424 CD PRO A 30 6.952 4.243 -5.421 1.00 0.00 C ATOM 0 HA PRO A 30 5.468 6.122 -3.296 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.058 4.396 -5.315 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.239 6.139 -5.324 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.604 4.609 -7.053 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.321 6.059 -6.380 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.819 3.181 -5.628 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.963 4.504 -5.734 1.00 0.00 H new ATOM 432 N CYS A 31 3.976 4.891 -1.843 1.00 0.00 N ATOM 433 CA CYS A 31 3.162 4.172 -0.878 1.00 0.00 C ATOM 434 C CYS A 31 1.963 3.525 -1.551 1.00 0.00 C ATOM 435 O CYS A 31 0.965 4.179 -1.851 1.00 0.00 O ATOM 436 CB CYS A 31 2.723 5.108 0.241 1.00 0.00 C ATOM 437 SG CYS A 31 4.129 5.871 1.119 1.00 0.00 S ATOM 0 H CYS A 31 4.046 5.894 -1.671 1.00 0.00 H new ATOM 0 HA CYS A 31 3.765 3.375 -0.443 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.092 5.893 -0.175 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.113 4.553 0.954 1.00 0.00 H new ATOM 442 N SER A 32 2.090 2.235 -1.796 1.00 0.00 N ATOM 443 CA SER A 32 1.050 1.475 -2.452 1.00 0.00 C ATOM 444 C SER A 32 0.992 0.062 -1.891 1.00 0.00 C ATOM 445 O SER A 32 2.015 -0.488 -1.477 1.00 0.00 O ATOM 446 CB SER A 32 1.322 1.442 -3.958 1.00 0.00 C ATOM 447 OG SER A 32 2.697 1.207 -4.216 1.00 0.00 O ATOM 0 H SER A 32 2.914 1.689 -1.546 1.00 0.00 H new ATOM 0 HA SER A 32 0.086 1.951 -2.271 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.721 0.661 -4.424 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.019 2.388 -4.408 1.00 0.00 H new ATOM 0 HG SER A 32 3.224 1.970 -3.900 1.00 0.00 H new ATOM 453 N CYS A 33 -0.196 -0.522 -1.865 1.00 0.00 N ATOM 454 CA CYS A 33 -0.360 -1.867 -1.350 1.00 0.00 C ATOM 455 C CYS A 33 0.324 -2.862 -2.259 1.00 0.00 C ATOM 456 O CYS A 33 0.107 -2.865 -3.473 1.00 0.00 O ATOM 457 CB CYS A 33 -1.835 -2.233 -1.202 1.00 0.00 C ATOM 458 SG CYS A 33 -2.833 -0.942 -0.393 1.00 0.00 S ATOM 0 H CYS A 33 -1.057 -0.085 -2.194 1.00 0.00 H new ATOM 0 HA CYS A 33 0.100 -1.901 -0.362 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.251 -2.436 -2.189 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.915 -3.155 -0.627 1.00 0.00 H new ATOM 463 N ARG A 34 1.147 -3.695 -1.645 1.00 0.00 N ATOM 464 CA ARG A 34 1.901 -4.732 -2.323 1.00 0.00 C ATOM 465 C ARG A 34 1.715 -6.010 -1.520 1.00 0.00 C ATOM 466 O ARG A 34 1.209 -5.941 -0.398 1.00 0.00 O ATOM 467 CB ARG A 34 3.394 -4.364 -2.369 1.00 0.00 C ATOM 468 CG ARG A 34 3.687 -2.989 -2.937 1.00 0.00 C ATOM 469 CD ARG A 34 3.296 -2.868 -4.400 1.00 0.00 C ATOM 470 NE ARG A 34 3.558 -1.524 -4.920 1.00 0.00 N ATOM 471 CZ ARG A 34 4.773 -1.041 -5.193 1.00 0.00 C ATOM 472 NH1 ARG A 34 5.851 -1.814 -5.076 1.00 0.00 N ATOM 473 NH2 ARG A 34 4.903 0.220 -5.589 1.00 0.00 N ATOM 0 H ARG A 34 1.312 -3.667 -0.639 1.00 0.00 H new ATOM 0 HA ARG A 34 1.552 -4.853 -3.349 1.00 0.00 H new ATOM 0 HB2 ARG A 34 3.800 -4.420 -1.359 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.920 -5.109 -2.966 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.150 -2.238 -2.358 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.750 -2.774 -2.830 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.851 -3.600 -4.987 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.238 -3.103 -4.515 1.00 0.00 H new ATOM 0 HE ARG A 34 2.757 -0.915 -5.085 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.753 -2.784 -4.776 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.775 -1.436 -5.287 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.078 0.813 -5.683 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.828 0.596 -5.799 1.00 0.00 H new ATOM 487 N PRO A 35 2.104 -7.185 -2.046 1.00 0.00 N ATOM 488 CA PRO A 35 1.961 -8.436 -1.305 1.00 0.00 C ATOM 489 C PRO A 35 2.650 -8.334 0.053 1.00 0.00 C ATOM 490 O PRO A 35 3.602 -7.567 0.216 1.00 0.00 O ATOM 491 CB PRO A 35 2.632 -9.495 -2.189 1.00 0.00 C ATOM 492 CG PRO A 35 3.365 -8.742 -3.252 1.00 0.00 C ATOM 493 CD PRO A 35 2.710 -7.393 -3.369 1.00 0.00 C ATOM 0 HA PRO A 35 0.919 -8.682 -1.100 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.316 -10.113 -1.607 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.891 -10.165 -2.626 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.419 -8.638 -2.993 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.321 -9.275 -4.202 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.436 -6.614 -3.604 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.960 -7.379 -4.160 1.00 0.00 H new ATOM 501 N LYS A 36 2.159 -9.068 1.031 1.00 0.00 N ATOM 502 CA LYS A 36 2.731 -9.001 2.362 1.00 0.00 C ATOM 503 C LYS A 36 4.028 -9.793 2.420 1.00 0.00 C ATOM 504 O LYS A 36 4.043 -11.000 2.183 1.00 0.00 O ATOM 505 CB LYS A 36 1.724 -9.522 3.389 1.00 0.00 C ATOM 506 CG LYS A 36 2.087 -9.206 4.832 1.00 0.00 C ATOM 507 CD LYS A 36 0.840 -9.124 5.700 1.00 0.00 C ATOM 508 CE LYS A 36 -0.048 -7.967 5.268 1.00 0.00 C ATOM 509 NZ LYS A 36 -1.378 -7.991 5.934 1.00 0.00 N ATOM 0 H LYS A 36 1.374 -9.711 0.932 1.00 0.00 H new ATOM 0 HA LYS A 36 2.960 -7.962 2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.745 -9.096 3.170 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.633 -10.602 3.277 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.755 -9.975 5.220 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.629 -8.261 4.876 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.284 -10.059 5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.127 -8.997 6.744 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.452 -7.025 5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.186 -8.002 4.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.945 -7.183 5.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.869 -8.877 5.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.251 -7.930 6.964 1.00 0.00 H new ATOM 523 N GLY A 37 5.111 -9.089 2.712 1.00 0.00 N ATOM 524 CA GLY A 37 6.415 -9.713 2.772 1.00 0.00 C ATOM 525 C GLY A 37 7.222 -9.434 1.521 1.00 0.00 C ATOM 526 O GLY A 37 7.807 -10.345 0.936 1.00 0.00 O ATOM 0 H GLY A 37 5.109 -8.088 2.910 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.955 -9.346 3.644 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.299 -10.789 2.899 1.00 0.00 H new ATOM 530 N TRP A 38 7.241 -8.169 1.111 1.00 0.00 N ATOM 531 CA TRP A 38 7.977 -7.758 -0.076 1.00 0.00 C ATOM 532 C TRP A 38 9.368 -7.268 0.314 1.00 0.00 C ATOM 533 O TRP A 38 9.582 -7.015 1.522 1.00 0.00 O ATOM 534 CB TRP A 38 7.206 -6.661 -0.836 1.00 0.00 C ATOM 535 CG TRP A 38 7.414 -5.265 -0.309 1.00 0.00 C ATOM 536 CD1 TRP A 38 7.150 -4.801 0.949 1.00 0.00 C ATOM 537 CD2 TRP A 38 7.921 -4.145 -1.046 1.00 0.00 C ATOM 538 NE1 TRP A 38 7.477 -3.471 1.040 1.00 0.00 N ATOM 539 CE2 TRP A 38 7.950 -3.046 -0.171 1.00 0.00 C ATOM 540 CE3 TRP A 38 8.358 -3.970 -2.360 1.00 0.00 C ATOM 541 CZ2 TRP A 38 8.398 -1.790 -0.568 1.00 0.00 C ATOM 542 CZ3 TRP A 38 8.802 -2.723 -2.754 1.00 0.00 C ATOM 543 CH2 TRP A 38 8.819 -1.648 -1.861 1.00 0.00 C ATOM 544 OXT TRP A 38 10.226 -7.135 -0.582 1.00 0.00 O ATOM 0 H TRP A 38 6.753 -7.410 1.586 1.00 0.00 H new ATOM 0 HA TRP A 38 8.085 -8.618 -0.738 1.00 0.00 H new ATOM 0 HB2 TRP A 38 7.503 -6.687 -1.884 1.00 0.00 H new ATOM 0 HB3 TRP A 38 6.142 -6.893 -0.801 1.00 0.00 H new ATOM 0 HD1 TRP A 38 6.743 -5.394 1.754 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.383 -2.893 1.875 1.00 0.00 H new ATOM 0 HE3 TRP A 38 8.349 -4.795 -3.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 8.413 -0.958 0.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 9.142 -2.576 -3.769 1.00 0.00 H new ATOM 0 HH2 TRP A 38 9.172 -0.685 -2.199 1.00 0.00 H new TER 555 TRP A 38