USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 286 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 NoAdj-H: A 28 HIS HE2 : A 28 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 33 HIS HE2 : A 33 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 19 CYS SG : rot 160:sc= 0.83 USER MOD Set 1.2: A 24 HIS : no HD1:sc= 0.734 K(o=1.6,f=-4.7!) USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0659 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.181 USER MOD Single : A 22 LYS NZ :NH3+ 176:sc= 2.03 (180deg=2) USER MOD Single : A 26 LYS NZ :NH3+ 149:sc= 1.28 (180deg=1.2) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.476 34.299 -7.771 1.00 0.00 N ATOM 2 CA GLY A 1 6.004 33.505 -6.639 1.00 0.00 C ATOM 3 C GLY A 1 5.927 32.007 -6.910 1.00 0.00 C ATOM 4 O GLY A 1 5.794 31.581 -8.059 1.00 0.00 O ATOM 0 H1 GLY A 1 6.076 35.135 -7.918 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.476 33.717 -8.633 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.504 34.603 -7.558 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.040 33.787 -6.450 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.440 33.740 -5.736 1.00 0.00 H new ATOM 10 N SER A 2 6.019 31.197 -5.852 1.00 0.00 N ATOM 11 CA SER A 2 5.986 29.723 -5.902 1.00 0.00 C ATOM 12 C SER A 2 5.328 29.103 -4.654 1.00 0.00 C ATOM 13 O SER A 2 5.151 29.770 -3.628 1.00 0.00 O ATOM 14 CB SER A 2 7.407 29.168 -6.091 1.00 0.00 C ATOM 15 OG SER A 2 8.262 29.553 -5.022 1.00 0.00 O ATOM 0 H SER A 2 6.122 31.556 -4.903 1.00 0.00 H new ATOM 0 HA SER A 2 5.370 29.443 -6.757 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.369 28.081 -6.154 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.817 29.528 -7.034 1.00 0.00 H new ATOM 0 HG SER A 2 9.158 29.184 -5.170 1.00 0.00 H new ATOM 21 N SER A 3 4.948 27.825 -4.745 1.00 0.00 N ATOM 22 CA SER A 3 4.350 27.033 -3.655 1.00 0.00 C ATOM 23 C SER A 3 4.731 25.545 -3.766 1.00 0.00 C ATOM 24 O SER A 3 5.199 25.090 -4.815 1.00 0.00 O ATOM 25 CB SER A 3 2.824 27.207 -3.670 1.00 0.00 C ATOM 26 OG SER A 3 2.255 26.718 -2.464 1.00 0.00 O ATOM 0 H SER A 3 5.050 27.291 -5.608 1.00 0.00 H new ATOM 0 HA SER A 3 4.743 27.398 -2.706 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.574 28.260 -3.796 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.400 26.674 -4.521 1.00 0.00 H new ATOM 0 HG SER A 3 1.283 26.838 -2.489 1.00 0.00 H new ATOM 32 N GLY A 4 4.550 24.779 -2.684 1.00 0.00 N ATOM 33 CA GLY A 4 4.880 23.350 -2.614 1.00 0.00 C ATOM 34 C GLY A 4 4.016 22.472 -3.534 1.00 0.00 C ATOM 35 O GLY A 4 2.805 22.684 -3.661 1.00 0.00 O ATOM 0 H GLY A 4 4.162 25.143 -1.814 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.929 23.215 -2.877 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.763 23.009 -1.585 1.00 0.00 H new ATOM 39 N SER A 5 4.640 21.473 -4.167 1.00 0.00 N ATOM 40 CA SER A 5 4.024 20.567 -5.157 1.00 0.00 C ATOM 41 C SER A 5 3.676 19.168 -4.616 1.00 0.00 C ATOM 42 O SER A 5 3.129 18.339 -5.351 1.00 0.00 O ATOM 43 CB SER A 5 4.943 20.466 -6.382 1.00 0.00 C ATOM 44 OG SER A 5 6.230 19.990 -6.008 1.00 0.00 O ATOM 0 H SER A 5 5.624 21.261 -4.002 1.00 0.00 H new ATOM 0 HA SER A 5 3.064 21.006 -5.429 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.502 19.795 -7.119 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.035 21.444 -6.855 1.00 0.00 H new ATOM 0 HG SER A 5 6.801 19.931 -6.803 1.00 0.00 H new ATOM 50 N SER A 6 3.973 18.891 -3.343 1.00 0.00 N ATOM 51 CA SER A 6 3.798 17.587 -2.680 1.00 0.00 C ATOM 52 C SER A 6 3.273 17.713 -1.237 1.00 0.00 C ATOM 53 O SER A 6 3.271 18.800 -0.650 1.00 0.00 O ATOM 54 CB SER A 6 5.124 16.810 -2.713 1.00 0.00 C ATOM 55 OG SER A 6 6.143 17.497 -1.996 1.00 0.00 O ATOM 0 H SER A 6 4.359 19.597 -2.716 1.00 0.00 H new ATOM 0 HA SER A 6 3.036 17.038 -3.233 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.978 15.819 -2.283 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.438 16.666 -3.747 1.00 0.00 H new ATOM 0 HG SER A 6 6.974 16.979 -2.032 1.00 0.00 H new ATOM 61 N GLY A 7 2.810 16.595 -0.663 1.00 0.00 N ATOM 62 CA GLY A 7 2.322 16.518 0.723 1.00 0.00 C ATOM 63 C GLY A 7 1.620 15.200 1.078 1.00 0.00 C ATOM 64 O GLY A 7 1.705 14.740 2.216 1.00 0.00 O ATOM 0 H GLY A 7 2.763 15.703 -1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.164 16.660 1.400 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.630 17.342 0.898 1.00 0.00 H new ATOM 68 N GLU A 8 0.985 14.540 0.103 1.00 0.00 N ATOM 69 CA GLU A 8 0.276 13.255 0.263 1.00 0.00 C ATOM 70 C GLU A 8 1.235 12.042 0.229 1.00 0.00 C ATOM 71 O GLU A 8 1.022 11.065 -0.494 1.00 0.00 O ATOM 72 CB GLU A 8 -0.868 13.147 -0.765 1.00 0.00 C ATOM 73 CG GLU A 8 -1.927 14.245 -0.589 1.00 0.00 C ATOM 74 CD GLU A 8 -3.098 14.049 -1.572 1.00 0.00 C ATOM 75 OE1 GLU A 8 -3.020 14.544 -2.724 1.00 0.00 O ATOM 76 OE2 GLU A 8 -4.110 13.407 -1.198 1.00 0.00 O ATOM 0 H GLU A 8 0.946 14.893 -0.853 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.171 13.235 1.257 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.454 13.205 -1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.344 12.171 -0.672 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.301 14.233 0.435 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.472 15.222 -0.750 1.00 0.00 H new ATOM 83 N LYS A 9 2.326 12.106 1.005 1.00 0.00 N ATOM 84 CA LYS A 9 3.434 11.129 1.036 1.00 0.00 C ATOM 85 C LYS A 9 3.094 9.869 1.859 1.00 0.00 C ATOM 86 O LYS A 9 3.813 9.483 2.783 1.00 0.00 O ATOM 87 CB LYS A 9 4.723 11.858 1.470 1.00 0.00 C ATOM 88 CG LYS A 9 5.998 11.090 1.080 1.00 0.00 C ATOM 89 CD LYS A 9 7.288 11.845 1.439 1.00 0.00 C ATOM 90 CE LYS A 9 7.472 11.991 2.956 1.00 0.00 C ATOM 91 NZ LYS A 9 8.756 12.664 3.288 1.00 0.00 N ATOM 0 H LYS A 9 2.471 12.874 1.660 1.00 0.00 H new ATOM 0 HA LYS A 9 3.604 10.730 0.036 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.746 12.848 1.015 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.707 12.004 2.550 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.999 10.122 1.580 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.984 10.895 0.008 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.145 11.317 1.020 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.268 12.834 0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.642 12.564 3.371 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.445 11.007 3.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.848 12.746 4.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.548 12.104 2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.771 13.613 2.863 1.00 0.00 H new ATOM 105 N PHE A 10 1.962 9.241 1.539 1.00 0.00 N ATOM 106 CA PHE A 10 1.441 8.044 2.207 1.00 0.00 C ATOM 107 C PHE A 10 2.140 6.765 1.702 1.00 0.00 C ATOM 108 O PHE A 10 2.385 6.613 0.499 1.00 0.00 O ATOM 109 CB PHE A 10 -0.088 8.016 2.027 1.00 0.00 C ATOM 110 CG PHE A 10 -0.822 6.831 2.639 1.00 0.00 C ATOM 111 CD1 PHE A 10 -0.578 6.442 3.971 1.00 0.00 C ATOM 112 CD2 PHE A 10 -1.783 6.136 1.881 1.00 0.00 C ATOM 113 CE1 PHE A 10 -1.260 5.340 4.521 1.00 0.00 C ATOM 114 CE2 PHE A 10 -2.465 5.035 2.429 1.00 0.00 C ATOM 115 CZ PHE A 10 -2.199 4.633 3.750 1.00 0.00 C ATOM 0 H PHE A 10 1.360 9.562 0.781 1.00 0.00 H new ATOM 0 HA PHE A 10 1.660 8.081 3.274 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.499 8.930 2.456 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.306 8.038 0.959 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.133 6.990 4.571 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.998 6.451 0.871 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.061 5.037 5.538 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.192 4.499 1.836 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.715 3.783 4.171 1.00 0.00 H new ATOM 125 N ALA A 11 2.463 5.863 2.632 1.00 0.00 N ATOM 126 CA ALA A 11 3.212 4.613 2.446 1.00 0.00 C ATOM 127 C ALA A 11 2.596 3.467 3.281 1.00 0.00 C ATOM 128 O ALA A 11 1.787 3.723 4.181 1.00 0.00 O ATOM 129 CB ALA A 11 4.670 4.868 2.850 1.00 0.00 C ATOM 0 H ALA A 11 2.189 5.994 3.606 1.00 0.00 H new ATOM 0 HA ALA A 11 3.165 4.303 1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.249 3.953 2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.089 5.654 2.222 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.709 5.178 3.894 1.00 0.00 H new ATOM 135 N CYS A 12 2.973 2.211 3.006 1.00 0.00 N ATOM 136 CA CYS A 12 2.501 1.051 3.768 1.00 0.00 C ATOM 137 C CYS A 12 2.872 1.163 5.264 1.00 0.00 C ATOM 138 O CYS A 12 3.950 1.641 5.633 1.00 0.00 O ATOM 139 CB CYS A 12 3.033 -0.230 3.111 1.00 0.00 C ATOM 140 SG CYS A 12 2.366 -1.689 3.968 1.00 0.00 S ATOM 0 H CYS A 12 3.614 1.972 2.249 1.00 0.00 H new ATOM 0 HA CYS A 12 1.412 1.016 3.744 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.749 -0.254 2.059 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.122 -0.242 3.148 1.00 0.00 H new ATOM 145 N ASP A 13 1.957 0.727 6.132 1.00 0.00 N ATOM 146 CA ASP A 13 2.120 0.754 7.591 1.00 0.00 C ATOM 147 C ASP A 13 2.853 -0.490 8.140 1.00 0.00 C ATOM 148 O ASP A 13 3.244 -0.512 9.310 1.00 0.00 O ATOM 149 CB ASP A 13 0.738 0.943 8.237 1.00 0.00 C ATOM 150 CG ASP A 13 0.828 1.328 9.726 1.00 0.00 C ATOM 151 OD1 ASP A 13 1.447 2.373 10.044 1.00 0.00 O ATOM 152 OD2 ASP A 13 0.233 0.627 10.579 1.00 0.00 O ATOM 0 H ASP A 13 1.062 0.337 5.836 1.00 0.00 H new ATOM 0 HA ASP A 13 2.763 1.595 7.853 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.192 1.717 7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.165 0.021 8.138 1.00 0.00 H new ATOM 157 N TYR A 14 3.058 -1.516 7.302 1.00 0.00 N ATOM 158 CA TYR A 14 3.567 -2.838 7.703 1.00 0.00 C ATOM 159 C TYR A 14 4.833 -3.291 6.948 1.00 0.00 C ATOM 160 O TYR A 14 5.522 -4.203 7.416 1.00 0.00 O ATOM 161 CB TYR A 14 2.440 -3.867 7.537 1.00 0.00 C ATOM 162 CG TYR A 14 1.178 -3.557 8.325 1.00 0.00 C ATOM 163 CD1 TYR A 14 1.143 -3.794 9.713 1.00 0.00 C ATOM 164 CD2 TYR A 14 0.049 -3.021 7.674 1.00 0.00 C ATOM 165 CE1 TYR A 14 -0.018 -3.497 10.452 1.00 0.00 C ATOM 166 CE2 TYR A 14 -1.115 -2.724 8.410 1.00 0.00 C ATOM 167 CZ TYR A 14 -1.152 -2.963 9.801 1.00 0.00 C ATOM 168 OH TYR A 14 -2.285 -2.682 10.504 1.00 0.00 O ATOM 0 H TYR A 14 2.870 -1.449 6.302 1.00 0.00 H new ATOM 0 HA TYR A 14 3.877 -2.759 8.745 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.184 -3.938 6.480 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.812 -4.845 7.842 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.009 -4.204 10.212 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.076 -2.838 6.610 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.041 -3.677 11.517 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.980 -2.313 7.910 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.965 -2.320 9.898 1.00 0.00 H new ATOM 178 N CYS A 15 5.160 -2.665 5.810 1.00 0.00 N ATOM 179 CA CYS A 15 6.393 -2.886 5.044 1.00 0.00 C ATOM 180 C CYS A 15 6.878 -1.594 4.345 1.00 0.00 C ATOM 181 O CYS A 15 6.285 -0.525 4.494 1.00 0.00 O ATOM 182 CB CYS A 15 6.190 -4.073 4.078 1.00 0.00 C ATOM 183 SG CYS A 15 5.094 -3.658 2.701 1.00 0.00 S ATOM 0 H CYS A 15 4.552 -1.966 5.383 1.00 0.00 H new ATOM 0 HA CYS A 15 7.200 -3.152 5.726 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.157 -4.390 3.687 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.776 -4.919 4.627 1.00 0.00 H new ATOM 188 N SER A 16 7.979 -1.683 3.594 1.00 0.00 N ATOM 189 CA SER A 16 8.627 -0.555 2.899 1.00 0.00 C ATOM 190 C SER A 16 8.058 -0.235 1.505 1.00 0.00 C ATOM 191 O SER A 16 8.723 0.379 0.664 1.00 0.00 O ATOM 192 CB SER A 16 10.151 -0.749 2.897 1.00 0.00 C ATOM 193 OG SER A 16 10.501 -1.984 2.280 1.00 0.00 O ATOM 0 H SER A 16 8.463 -2.568 3.445 1.00 0.00 H new ATOM 0 HA SER A 16 8.387 0.341 3.471 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.627 0.076 2.367 1.00 0.00 H new ATOM 0 HB3 SER A 16 10.526 -0.729 3.920 1.00 0.00 H new ATOM 0 HG SER A 16 11.475 -2.089 2.287 1.00 0.00 H new ATOM 199 N PHE A 17 6.811 -0.634 1.260 1.00 0.00 N ATOM 200 CA PHE A 17 6.100 -0.433 -0.009 1.00 0.00 C ATOM 201 C PHE A 17 5.504 0.980 -0.154 1.00 0.00 C ATOM 202 O PHE A 17 4.944 1.549 0.790 1.00 0.00 O ATOM 203 CB PHE A 17 5.028 -1.517 -0.184 1.00 0.00 C ATOM 204 CG PHE A 17 4.230 -1.407 -1.470 1.00 0.00 C ATOM 205 CD1 PHE A 17 4.787 -1.829 -2.692 1.00 0.00 C ATOM 206 CD2 PHE A 17 2.931 -0.863 -1.449 1.00 0.00 C ATOM 207 CE1 PHE A 17 4.051 -1.706 -3.883 1.00 0.00 C ATOM 208 CE2 PHE A 17 2.193 -0.741 -2.641 1.00 0.00 C ATOM 209 CZ PHE A 17 2.754 -1.162 -3.859 1.00 0.00 C ATOM 0 H PHE A 17 6.248 -1.121 1.957 1.00 0.00 H new ATOM 0 HA PHE A 17 6.834 -0.523 -0.810 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.509 -2.495 -0.151 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.341 -1.471 0.661 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.782 -2.248 -2.714 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.499 -0.538 -0.514 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.482 -2.030 -4.819 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.197 -0.324 -2.620 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.190 -1.068 -4.775 1.00 0.00 H new ATOM 219 N THR A 18 5.580 1.516 -1.374 1.00 0.00 N ATOM 220 CA THR A 18 5.005 2.801 -1.805 1.00 0.00 C ATOM 221 C THR A 18 4.426 2.692 -3.219 1.00 0.00 C ATOM 222 O THR A 18 4.956 1.964 -4.062 1.00 0.00 O ATOM 223 CB THR A 18 6.050 3.939 -1.790 1.00 0.00 C ATOM 224 OG1 THR A 18 7.266 3.564 -2.412 1.00 0.00 O ATOM 225 CG2 THR A 18 6.389 4.389 -0.370 1.00 0.00 C ATOM 0 H THR A 18 6.070 1.042 -2.133 1.00 0.00 H new ATOM 0 HA THR A 18 4.215 3.039 -1.093 1.00 0.00 H new ATOM 0 HB THR A 18 5.584 4.754 -2.344 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.895 4.315 -2.380 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.127 5.190 -0.409 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.486 4.751 0.122 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.796 3.548 0.191 1.00 0.00 H new ATOM 233 N CYS A 19 3.365 3.452 -3.499 1.00 0.00 N ATOM 234 CA CYS A 19 2.766 3.579 -4.832 1.00 0.00 C ATOM 235 C CYS A 19 2.297 5.024 -5.089 1.00 0.00 C ATOM 236 O CYS A 19 1.949 5.745 -4.150 1.00 0.00 O ATOM 237 CB CYS A 19 1.614 2.566 -4.950 1.00 0.00 C ATOM 238 SG CYS A 19 1.090 2.392 -6.682 1.00 0.00 S ATOM 0 H CYS A 19 2.887 4.009 -2.791 1.00 0.00 H new ATOM 0 HA CYS A 19 3.509 3.357 -5.598 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.932 1.598 -4.562 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.771 2.893 -4.341 1.00 0.00 H new ATOM 0 HG CYS A 19 0.445 1.273 -6.830 1.00 0.00 H new ATOM 244 N LEU A 20 2.267 5.441 -6.360 1.00 0.00 N ATOM 245 CA LEU A 20 1.702 6.728 -6.788 1.00 0.00 C ATOM 246 C LEU A 20 0.173 6.738 -6.617 1.00 0.00 C ATOM 247 O LEU A 20 -0.387 7.713 -6.114 1.00 0.00 O ATOM 248 CB LEU A 20 2.171 6.993 -8.235 1.00 0.00 C ATOM 249 CG LEU A 20 1.809 8.382 -8.807 1.00 0.00 C ATOM 250 CD1 LEU A 20 2.806 8.761 -9.906 1.00 0.00 C ATOM 251 CD2 LEU A 20 0.416 8.429 -9.443 1.00 0.00 C ATOM 0 H LEU A 20 2.639 4.887 -7.131 1.00 0.00 H new ATOM 0 HA LEU A 20 2.060 7.545 -6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.254 6.874 -8.275 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.742 6.229 -8.883 1.00 0.00 H new ATOM 0 HG LEU A 20 1.836 9.070 -7.962 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.549 9.741 -10.308 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.813 8.792 -9.489 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.767 8.020 -10.704 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.224 9.432 -9.825 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.366 7.713 -10.263 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.335 8.176 -8.694 1.00 0.00 H new ATOM 263 N SER A 21 -0.493 5.630 -6.961 1.00 0.00 N ATOM 264 CA SER A 21 -1.914 5.415 -6.667 1.00 0.00 C ATOM 265 C SER A 21 -2.105 5.040 -5.197 1.00 0.00 C ATOM 266 O SER A 21 -1.723 3.951 -4.754 1.00 0.00 O ATOM 267 CB SER A 21 -2.513 4.348 -7.586 1.00 0.00 C ATOM 268 OG SER A 21 -3.859 4.090 -7.210 1.00 0.00 O ATOM 0 H SER A 21 -0.057 4.851 -7.455 1.00 0.00 H new ATOM 0 HA SER A 21 -2.444 6.348 -6.855 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.473 4.683 -8.622 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.926 3.431 -7.525 1.00 0.00 H new ATOM 0 HG SER A 21 -4.239 3.408 -7.802 1.00 0.00 H new ATOM 274 N LYS A 22 -2.740 5.932 -4.428 1.00 0.00 N ATOM 275 CA LYS A 22 -3.072 5.675 -3.017 1.00 0.00 C ATOM 276 C LYS A 22 -4.253 4.709 -2.864 1.00 0.00 C ATOM 277 O LYS A 22 -4.366 4.048 -1.834 1.00 0.00 O ATOM 278 CB LYS A 22 -3.244 7.000 -2.250 1.00 0.00 C ATOM 279 CG LYS A 22 -2.045 7.964 -2.381 1.00 0.00 C ATOM 280 CD LYS A 22 -0.673 7.315 -2.122 1.00 0.00 C ATOM 281 CE LYS A 22 0.443 8.356 -2.233 1.00 0.00 C ATOM 282 NZ LYS A 22 1.783 7.728 -2.097 1.00 0.00 N ATOM 0 H LYS A 22 -3.038 6.849 -4.762 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.232 5.157 -2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.142 7.502 -2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.405 6.779 -1.195 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.047 8.392 -3.383 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.180 8.789 -1.682 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.659 6.863 -1.130 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.502 6.513 -2.840 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.374 8.865 -3.194 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.314 9.114 -1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.520 8.447 -2.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.881 7.322 -1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.887 6.975 -2.807 1.00 0.00 H new ATOM 296 N GLY A 23 -5.067 4.539 -3.912 1.00 0.00 N ATOM 297 CA GLY A 23 -6.080 3.483 -4.001 1.00 0.00 C ATOM 298 C GLY A 23 -5.442 2.093 -4.133 1.00 0.00 C ATOM 299 O GLY A 23 -5.834 1.162 -3.431 1.00 0.00 O ATOM 0 H GLY A 23 -5.039 5.141 -4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.713 3.510 -3.114 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.726 3.670 -4.859 1.00 0.00 H new ATOM 303 N HIS A 24 -4.387 1.960 -4.947 1.00 0.00 N ATOM 304 CA HIS A 24 -3.605 0.720 -5.034 1.00 0.00 C ATOM 305 C HIS A 24 -2.846 0.424 -3.728 1.00 0.00 C ATOM 306 O HIS A 24 -2.794 -0.729 -3.299 1.00 0.00 O ATOM 307 CB HIS A 24 -2.655 0.797 -6.236 1.00 0.00 C ATOM 308 CG HIS A 24 -1.853 -0.463 -6.456 1.00 0.00 C ATOM 309 ND1 HIS A 24 -0.485 -0.539 -6.582 1.00 0.00 N ATOM 310 CD2 HIS A 24 -2.338 -1.739 -6.574 1.00 0.00 C ATOM 311 CE1 HIS A 24 -0.148 -1.826 -6.769 1.00 0.00 C ATOM 312 NE2 HIS A 24 -1.249 -2.601 -6.772 1.00 0.00 N ATOM 0 H HIS A 24 -4.053 2.704 -5.560 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.293 -0.113 -5.181 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.235 1.009 -7.134 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -1.970 1.633 -6.094 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.377 -2.030 -6.523 1.00 0.00 H new ATOM 0 HE1 HIS A 24 0.862 -2.187 -6.898 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -1.284 -3.613 -6.894 1.00 0.00 H new ATOM 320 N LEU A 25 -2.334 1.450 -3.038 1.00 0.00 N ATOM 321 CA LEU A 25 -1.729 1.304 -1.709 1.00 0.00 C ATOM 322 C LEU A 25 -2.751 0.872 -0.636 1.00 0.00 C ATOM 323 O LEU A 25 -2.455 -0.005 0.178 1.00 0.00 O ATOM 324 CB LEU A 25 -1.022 2.618 -1.343 1.00 0.00 C ATOM 325 CG LEU A 25 -0.348 2.621 0.039 1.00 0.00 C ATOM 326 CD1 LEU A 25 0.692 1.513 0.196 1.00 0.00 C ATOM 327 CD2 LEU A 25 0.358 3.958 0.242 1.00 0.00 C ATOM 0 H LEU A 25 -2.328 2.408 -3.387 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.996 0.498 -1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.268 2.832 -2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.750 3.429 -1.379 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.133 2.455 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.133 1.566 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.213 0.543 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.473 1.638 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.840 3.970 1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.110 4.094 -0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.371 4.767 0.186 1.00 0.00 H new ATOM 339 N LYS A 26 -3.975 1.415 -0.662 1.00 0.00 N ATOM 340 CA LYS A 26 -5.087 0.971 0.197 1.00 0.00 C ATOM 341 C LYS A 26 -5.420 -0.507 -0.038 1.00 0.00 C ATOM 342 O LYS A 26 -5.546 -1.262 0.928 1.00 0.00 O ATOM 343 CB LYS A 26 -6.287 1.909 -0.025 1.00 0.00 C ATOM 344 CG LYS A 26 -7.548 1.502 0.753 1.00 0.00 C ATOM 345 CD LYS A 26 -8.640 2.574 0.599 1.00 0.00 C ATOM 346 CE LYS A 26 -10.014 2.131 1.124 1.00 0.00 C ATOM 347 NZ LYS A 26 -9.995 1.789 2.570 1.00 0.00 N ATOM 0 H LYS A 26 -4.226 2.182 -1.285 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.798 1.035 1.246 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.003 2.921 0.266 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.522 1.937 -1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.916 0.543 0.387 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.306 1.369 1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.331 3.475 1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.731 2.840 -0.454 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.737 2.928 0.953 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.353 1.265 0.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.921 2.007 2.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.792 0.775 2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.258 2.345 3.049 1.00 0.00 H new ATOM 361 N VAL A 27 -5.468 -0.950 -1.300 1.00 0.00 N ATOM 362 CA VAL A 27 -5.620 -2.376 -1.647 1.00 0.00 C ATOM 363 C VAL A 27 -4.428 -3.202 -1.153 1.00 0.00 C ATOM 364 O VAL A 27 -4.660 -4.242 -0.547 1.00 0.00 O ATOM 365 CB VAL A 27 -5.873 -2.583 -3.157 1.00 0.00 C ATOM 366 CG1 VAL A 27 -5.870 -4.067 -3.560 1.00 0.00 C ATOM 367 CG2 VAL A 27 -7.241 -2.013 -3.552 1.00 0.00 C ATOM 0 H VAL A 27 -5.403 -0.335 -2.111 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.507 -2.739 -1.128 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.060 -2.069 -3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.052 -4.154 -4.631 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.902 -4.507 -3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.653 -4.594 -3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.405 -2.166 -4.619 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.023 -2.521 -2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.268 -0.946 -3.330 1.00 0.00 H new ATOM 377 N HIS A 28 -3.178 -2.752 -1.315 1.00 0.00 N ATOM 378 CA HIS A 28 -1.993 -3.448 -0.788 1.00 0.00 C ATOM 379 C HIS A 28 -2.110 -3.707 0.724 1.00 0.00 C ATOM 380 O HIS A 28 -1.958 -4.847 1.167 1.00 0.00 O ATOM 381 CB HIS A 28 -0.715 -2.657 -1.126 1.00 0.00 C ATOM 382 CG HIS A 28 0.523 -3.138 -0.405 1.00 0.00 C ATOM 383 ND1 HIS A 28 1.456 -4.026 -0.885 1.00 0.00 N ATOM 384 CD2 HIS A 28 0.941 -2.759 0.843 1.00 0.00 C ATOM 385 CE1 HIS A 28 2.407 -4.190 0.048 1.00 0.00 C ATOM 386 NE2 HIS A 28 2.133 -3.448 1.148 1.00 0.00 N ATOM 0 H HIS A 28 -2.957 -1.892 -1.817 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.932 -4.423 -1.271 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.540 -2.713 -2.200 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -0.877 -1.607 -0.884 1.00 0.00 H new ATOM 0 HD1 HIS A 28 1.430 -4.483 -1.796 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.441 -2.050 1.486 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.272 -4.827 -0.063 1.00 0.00 H new ATOM 394 N ILE A 29 -2.444 -2.682 1.519 1.00 0.00 N ATOM 395 CA ILE A 29 -2.610 -2.818 2.975 1.00 0.00 C ATOM 396 C ILE A 29 -3.731 -3.821 3.311 1.00 0.00 C ATOM 397 O ILE A 29 -3.557 -4.683 4.172 1.00 0.00 O ATOM 398 CB ILE A 29 -2.825 -1.429 3.627 1.00 0.00 C ATOM 399 CG1 ILE A 29 -1.558 -0.551 3.455 1.00 0.00 C ATOM 400 CG2 ILE A 29 -3.156 -1.578 5.125 1.00 0.00 C ATOM 401 CD1 ILE A 29 -1.756 0.921 3.837 1.00 0.00 C ATOM 0 H ILE A 29 -2.607 -1.736 1.173 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.695 -3.229 3.401 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.665 -0.945 3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.756 -0.968 4.064 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.231 -0.604 2.417 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.303 -0.592 5.565 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.066 -2.166 5.240 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.332 -2.082 5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.823 1.464 3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.534 1.358 3.211 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.052 0.989 4.884 1.00 0.00 H new ATOM 413 N GLU A 30 -4.846 -3.771 2.582 1.00 0.00 N ATOM 414 CA GLU A 30 -6.014 -4.639 2.793 1.00 0.00 C ATOM 415 C GLU A 30 -5.891 -6.057 2.195 1.00 0.00 C ATOM 416 O GLU A 30 -6.723 -6.912 2.508 1.00 0.00 O ATOM 417 CB GLU A 30 -7.271 -3.919 2.275 1.00 0.00 C ATOM 418 CG GLU A 30 -7.666 -2.753 3.198 1.00 0.00 C ATOM 419 CD GLU A 30 -8.874 -1.945 2.686 1.00 0.00 C ATOM 420 OE1 GLU A 30 -9.785 -2.510 2.030 1.00 0.00 O ATOM 421 OE2 GLU A 30 -8.945 -0.728 2.979 1.00 0.00 O ATOM 0 H GLU A 30 -4.969 -3.114 1.812 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.084 -4.812 3.867 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.089 -3.543 1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.097 -4.627 2.206 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.895 -3.146 4.188 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.813 -2.084 3.310 1.00 0.00 H new ATOM 428 N ARG A 31 -4.875 -6.343 1.361 1.00 0.00 N ATOM 429 CA ARG A 31 -4.711 -7.612 0.627 1.00 0.00 C ATOM 430 C ARG A 31 -3.482 -8.402 1.063 1.00 0.00 C ATOM 431 O ARG A 31 -3.527 -9.633 1.058 1.00 0.00 O ATOM 432 CB ARG A 31 -4.661 -7.292 -0.883 1.00 0.00 C ATOM 433 CG ARG A 31 -4.459 -8.499 -1.810 1.00 0.00 C ATOM 434 CD ARG A 31 -5.585 -9.534 -1.696 1.00 0.00 C ATOM 435 NE ARG A 31 -5.268 -10.769 -2.439 1.00 0.00 N ATOM 436 CZ ARG A 31 -4.518 -11.777 -2.028 1.00 0.00 C ATOM 437 NH1 ARG A 31 -3.900 -11.782 -0.877 1.00 0.00 N ATOM 438 NH2 ARG A 31 -4.368 -12.828 -2.784 1.00 0.00 N ATOM 0 H ARG A 31 -4.124 -5.679 1.173 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.562 -8.255 0.854 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.590 -6.794 -1.162 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.853 -6.582 -1.059 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.394 -8.152 -2.841 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.508 -8.977 -1.574 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.754 -9.774 -0.646 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.512 -9.107 -2.078 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.672 -10.854 -3.372 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.985 -10.983 -0.249 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.333 -12.585 -0.606 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.829 -12.873 -3.693 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.789 -13.606 -2.467 1.00 0.00 H new ATOM 452 N VAL A 32 -2.397 -7.709 1.410 1.00 0.00 N ATOM 453 CA VAL A 32 -1.084 -8.305 1.706 1.00 0.00 C ATOM 454 C VAL A 32 -0.868 -8.503 3.211 1.00 0.00 C ATOM 455 O VAL A 32 -0.222 -9.467 3.622 1.00 0.00 O ATOM 456 CB VAL A 32 0.040 -7.456 1.070 1.00 0.00 C ATOM 457 CG1 VAL A 32 1.434 -8.049 1.299 1.00 0.00 C ATOM 458 CG2 VAL A 32 -0.156 -7.335 -0.450 1.00 0.00 C ATOM 0 H VAL A 32 -2.402 -6.693 1.496 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.055 -9.300 1.261 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.023 -6.482 1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.183 -7.410 0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.631 -8.113 2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.482 -9.046 0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.648 -6.733 -0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.141 -8.328 -0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.114 -6.858 -0.656 1.00 0.00 H new ATOM 468 N HIS A 33 -1.446 -7.628 4.042 1.00 0.00 N ATOM 469 CA HIS A 33 -1.222 -7.578 5.495 1.00 0.00 C ATOM 470 C HIS A 33 -2.443 -8.030 6.324 1.00 0.00 C ATOM 471 O HIS A 33 -2.647 -7.585 7.458 1.00 0.00 O ATOM 472 CB HIS A 33 -0.647 -6.203 5.870 1.00 0.00 C ATOM 473 CG HIS A 33 0.642 -5.901 5.139 1.00 0.00 C ATOM 474 ND1 HIS A 33 1.833 -6.579 5.266 1.00 0.00 N ATOM 475 CD2 HIS A 33 0.838 -4.933 4.196 1.00 0.00 C ATOM 476 CE1 HIS A 33 2.729 -6.031 4.431 1.00 0.00 C ATOM 477 NE2 HIS A 33 2.176 -4.996 3.756 1.00 0.00 N ATOM 0 H HIS A 33 -2.100 -6.916 3.716 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.475 -8.324 5.766 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.381 -5.430 5.642 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -0.470 -6.167 6.945 1.00 0.00 H new ATOM 0 HD1 HIS A 33 2.006 -7.367 5.891 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.092 -4.235 3.845 1.00 0.00 H new ATOM 0 HE1 HIS A 33 3.748 -6.368 4.314 1.00 0.00 H new ATOM 485 N LYS A 34 -3.257 -8.945 5.776 1.00 0.00 N ATOM 486 CA LYS A 34 -4.320 -9.645 6.521 1.00 0.00 C ATOM 487 C LYS A 34 -3.715 -10.533 7.621 1.00 0.00 C ATOM 488 O LYS A 34 -2.667 -11.151 7.409 1.00 0.00 O ATOM 489 CB LYS A 34 -5.189 -10.496 5.578 1.00 0.00 C ATOM 490 CG LYS A 34 -6.017 -9.662 4.589 1.00 0.00 C ATOM 491 CD LYS A 34 -6.980 -10.569 3.807 1.00 0.00 C ATOM 492 CE LYS A 34 -7.864 -9.742 2.868 1.00 0.00 C ATOM 493 NZ LYS A 34 -8.872 -10.588 2.175 1.00 0.00 N ATOM 0 H LYS A 34 -3.197 -9.223 4.797 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.954 -8.889 6.985 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.546 -11.176 5.019 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.862 -11.112 6.174 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.580 -8.900 5.127 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.355 -9.141 3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.412 -11.299 3.230 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.605 -11.129 4.503 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.372 -8.964 3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.240 -9.240 2.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.452 -9.994 1.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.387 -11.315 1.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.483 -11.047 2.880 1.00 0.00 H new ATOM 507 N LYS A 35 -4.383 -10.616 8.780 1.00 0.00 N ATOM 508 CA LYS A 35 -3.987 -11.430 9.955 1.00 0.00 C ATOM 509 C LYS A 35 -2.526 -11.204 10.412 1.00 0.00 C ATOM 510 O LYS A 35 -1.850 -12.138 10.851 1.00 0.00 O ATOM 511 CB LYS A 35 -4.331 -12.920 9.717 1.00 0.00 C ATOM 512 CG LYS A 35 -5.795 -13.211 9.329 1.00 0.00 C ATOM 513 CD LYS A 35 -6.852 -12.784 10.363 1.00 0.00 C ATOM 514 CE LYS A 35 -6.678 -13.517 11.701 1.00 0.00 C ATOM 515 NZ LYS A 35 -7.758 -13.165 12.661 1.00 0.00 N ATOM 0 H LYS A 35 -5.249 -10.101 8.939 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.579 -11.081 10.801 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.682 -13.303 8.930 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.096 -13.478 10.623 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.010 -12.707 8.387 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.899 -14.281 9.149 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.784 -11.709 10.527 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.848 -12.984 9.967 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.679 -14.593 11.530 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.710 -13.264 12.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.610 -13.678 13.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.741 -12.141 12.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.680 -13.430 12.259 1.00 0.00 H new ATOM 529 N ILE A 36 -2.032 -9.969 10.288 1.00 0.00 N ATOM 530 CA ILE A 36 -0.654 -9.573 10.630 1.00 0.00 C ATOM 531 C ILE A 36 -0.358 -9.725 12.139 1.00 0.00 C ATOM 532 O ILE A 36 -1.246 -9.551 12.980 1.00 0.00 O ATOM 533 CB ILE A 36 -0.364 -8.155 10.078 1.00 0.00 C ATOM 534 CG1 ILE A 36 1.116 -7.719 10.149 1.00 0.00 C ATOM 535 CG2 ILE A 36 -1.229 -7.076 10.754 1.00 0.00 C ATOM 536 CD1 ILE A 36 2.068 -8.617 9.351 1.00 0.00 C ATOM 0 H ILE A 36 -2.592 -9.192 9.937 1.00 0.00 H new ATOM 0 HA ILE A 36 0.041 -10.258 10.145 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.626 -8.240 9.023 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.201 -6.697 9.780 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.432 -7.708 11.192 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.988 -6.100 10.333 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.283 -7.295 10.583 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.029 -7.068 11.825 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.088 -8.246 9.451 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.014 -9.636 9.734 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.780 -8.609 8.300 1.00 0.00 H new ATOM 548 N LYS A 37 0.893 -10.074 12.476 1.00 0.00 N ATOM 549 CA LYS A 37 1.375 -10.337 13.845 1.00 0.00 C ATOM 550 C LYS A 37 1.432 -9.064 14.709 1.00 0.00 C ATOM 551 O LYS A 37 0.878 -9.085 15.832 1.00 0.00 O ATOM 552 CB LYS A 37 2.736 -11.055 13.759 1.00 0.00 C ATOM 553 CG LYS A 37 3.320 -11.515 15.106 1.00 0.00 C ATOM 554 CD LYS A 37 2.469 -12.588 15.804 1.00 0.00 C ATOM 555 CE LYS A 37 3.181 -13.078 17.071 1.00 0.00 C ATOM 556 NZ LYS A 37 2.398 -14.132 17.768 1.00 0.00 N ATOM 557 OXT LYS A 37 2.039 -8.059 14.270 1.00 0.00 O ATOM 0 H LYS A 37 1.627 -10.186 11.777 1.00 0.00 H new ATOM 0 HA LYS A 37 0.661 -10.986 14.353 1.00 0.00 H new ATOM 0 HB2 LYS A 37 2.629 -11.925 13.111 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.452 -10.387 13.280 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.324 -11.907 14.944 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.417 -10.653 15.765 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.492 -12.179 16.061 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.296 -13.425 15.127 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.164 -13.469 16.808 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.342 -12.238 17.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.910 -14.439 18.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.469 -13.751 18.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.266 -14.944 17.132 1.00 0.00 H new TER 571 LYS A 37 HETATM 572 ZN ZN A 101 2.944 -3.476 2.881 1.00 0.00 ZN