USER MOD reduce.3.24.130724 H: found=0, std=0, add=275, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 273 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 29 HIS HE2 : A 29 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0278 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 25:sc= 0.0779 USER MOD Single : A 8 ASN :FLIP amide:sc= -0.0783 F(o=-1.1,f=-0.078) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 CYS SG : rot -126:sc= 0.44 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= -2.41 (180deg=-2.56) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.701 K(o=-0.7,f=-2!) USER MOD Single : A 33 THR OG1 : rot 83:sc= 0.759 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -155:sc= -0.631 (180deg=-1.46!) USER MOD Single : A 38 SER OG : rot -64:sc= -1.73! USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.467 -27.303 -7.504 1.00 0.00 N ATOM 2 CA GLY A 1 1.211 -26.599 -7.320 1.00 0.00 C ATOM 3 C GLY A 1 0.261 -27.340 -6.400 1.00 0.00 C ATOM 4 O GLY A 1 0.630 -27.718 -5.289 1.00 0.00 O ATOM 0 H1 GLY A 1 3.081 -26.756 -8.140 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.938 -27.420 -6.584 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.283 -28.238 -7.920 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.410 -25.608 -6.911 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.734 -26.454 -8.289 1.00 0.00 H new ATOM 8 N SER A 2 -0.968 -27.546 -6.864 1.00 0.00 N ATOM 9 CA SER A 2 -1.976 -28.242 -6.073 1.00 0.00 C ATOM 10 C SER A 2 -1.873 -27.856 -4.600 1.00 0.00 C ATOM 11 O SER A 2 -1.835 -28.718 -3.722 1.00 0.00 O ATOM 12 CB SER A 2 -1.821 -29.756 -6.227 1.00 0.00 C ATOM 13 OG SER A 2 -1.892 -30.140 -7.589 1.00 0.00 O ATOM 0 H SER A 2 -1.289 -27.241 -7.783 1.00 0.00 H new ATOM 0 HA SER A 2 -2.958 -27.946 -6.441 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.866 -30.072 -5.806 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.602 -30.264 -5.661 1.00 0.00 H new ATOM 0 HG SER A 2 -1.788 -31.112 -7.661 1.00 0.00 H new ATOM 19 N SER A 3 -1.829 -26.554 -4.338 1.00 0.00 N ATOM 20 CA SER A 3 -1.726 -26.052 -2.973 1.00 0.00 C ATOM 21 C SER A 3 -3.110 -25.853 -2.362 1.00 0.00 C ATOM 22 O SER A 3 -3.392 -26.337 -1.266 1.00 0.00 O ATOM 23 CB SER A 3 -0.952 -24.733 -2.949 1.00 0.00 C ATOM 24 OG SER A 3 -1.523 -23.789 -3.838 1.00 0.00 O ATOM 0 H SER A 3 -1.863 -25.827 -5.053 1.00 0.00 H new ATOM 0 HA SER A 3 -1.188 -26.792 -2.380 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.949 -24.328 -1.937 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.087 -24.913 -3.223 1.00 0.00 H new ATOM 0 HG SER A 3 -1.011 -22.954 -3.802 1.00 0.00 H new ATOM 30 N GLY A 4 -3.970 -25.137 -3.080 1.00 0.00 N ATOM 31 CA GLY A 4 -5.314 -24.886 -2.593 1.00 0.00 C ATOM 32 C GLY A 4 -5.406 -23.615 -1.772 1.00 0.00 C ATOM 33 O GLY A 4 -5.551 -22.523 -2.321 1.00 0.00 O ATOM 0 H GLY A 4 -3.760 -24.726 -3.990 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.997 -24.818 -3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.641 -25.731 -1.987 1.00 0.00 H new ATOM 37 N SER A 5 -5.323 -23.757 -0.453 1.00 0.00 N ATOM 38 CA SER A 5 -5.403 -22.612 0.445 1.00 0.00 C ATOM 39 C SER A 5 -4.060 -22.358 1.123 1.00 0.00 C ATOM 40 O SER A 5 -3.478 -21.281 0.989 1.00 0.00 O ATOM 41 CB SER A 5 -6.485 -22.840 1.502 1.00 0.00 C ATOM 42 OG SER A 5 -7.768 -22.516 0.997 1.00 0.00 O ATOM 0 H SER A 5 -5.200 -24.654 0.017 1.00 0.00 H new ATOM 0 HA SER A 5 -5.663 -21.735 -0.148 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.470 -23.881 1.824 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.273 -22.232 2.381 1.00 0.00 H new ATOM 0 HG SER A 5 -8.442 -22.672 1.691 1.00 0.00 H new ATOM 48 N SER A 6 -3.573 -23.357 1.851 1.00 0.00 N ATOM 49 CA SER A 6 -2.300 -23.243 2.554 1.00 0.00 C ATOM 50 C SER A 6 -1.155 -23.024 1.570 1.00 0.00 C ATOM 51 O SER A 6 -1.005 -23.765 0.600 1.00 0.00 O ATOM 52 CB SER A 6 -2.039 -24.498 3.388 1.00 0.00 C ATOM 53 OG SER A 6 -2.109 -25.666 2.588 1.00 0.00 O ATOM 0 H SER A 6 -4.041 -24.256 1.970 1.00 0.00 H new ATOM 0 HA SER A 6 -2.355 -22.381 3.218 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.056 -24.431 3.854 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.770 -24.561 4.194 1.00 0.00 H new ATOM 0 HG SER A 6 -1.908 -25.437 1.657 1.00 0.00 H new ATOM 59 N GLY A 7 -0.348 -22.000 1.829 1.00 0.00 N ATOM 60 CA GLY A 7 0.774 -21.701 0.959 1.00 0.00 C ATOM 61 C GLY A 7 0.835 -20.236 0.573 1.00 0.00 C ATOM 62 O GLY A 7 1.899 -19.620 0.615 1.00 0.00 O ATOM 0 H GLY A 7 -0.451 -21.372 2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.702 -21.981 1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.702 -22.308 0.057 1.00 0.00 H new ATOM 66 N ASN A 8 -0.310 -19.677 0.196 1.00 0.00 N ATOM 67 CA ASN A 8 -0.383 -18.275 -0.201 1.00 0.00 C ATOM 68 C ASN A 8 -1.472 -17.545 0.578 1.00 0.00 C ATOM 69 O ASN A 8 -2.195 -18.149 1.369 1.00 0.00 O ATOM 70 CB ASN A 8 -0.651 -18.162 -1.703 1.00 0.00 C ATOM 71 CG ASN A 8 -1.759 -19.089 -2.164 1.00 0.00 C ATOM 72 OD1 ASN A 8 -2.974 -18.839 -1.691 1.00 0.00 O flip ATOM 73 ND2 ASN A 8 -1.525 -20.019 -2.936 1.00 0.00 N flip ATOM 0 H ASN A 8 -1.200 -20.173 0.157 1.00 0.00 H new ATOM 0 HA ASN A 8 0.576 -17.808 0.026 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.917 -17.133 -1.945 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.263 -18.392 -2.251 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.575 -20.174 -3.275 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.281 -20.634 -3.237 1.00 0.00 H new ATOM 80 N GLY A 9 -1.584 -16.240 0.348 1.00 0.00 N ATOM 81 CA GLY A 9 -2.587 -15.449 1.035 1.00 0.00 C ATOM 82 C GLY A 9 -3.418 -14.612 0.082 1.00 0.00 C ATOM 83 O GLY A 9 -3.403 -14.838 -1.128 1.00 0.00 O ATOM 0 H GLY A 9 -0.997 -15.717 -0.302 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.244 -16.111 1.599 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.098 -14.795 1.756 1.00 0.00 H new ATOM 87 N ALA A 10 -4.146 -13.643 0.628 1.00 0.00 N ATOM 88 CA ALA A 10 -4.986 -12.770 -0.182 1.00 0.00 C ATOM 89 C ALA A 10 -4.376 -11.377 -0.301 1.00 0.00 C ATOM 90 O ALA A 10 -4.419 -10.759 -1.365 1.00 0.00 O ATOM 91 CB ALA A 10 -6.385 -12.687 0.410 1.00 0.00 C ATOM 0 H ALA A 10 -4.171 -13.443 1.628 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.052 -13.196 -1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.002 -12.032 -0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.828 -13.682 0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.329 -12.287 1.422 1.00 0.00 H new ATOM 97 N PHE A 11 -3.810 -10.889 0.797 1.00 0.00 N ATOM 98 CA PHE A 11 -3.193 -9.567 0.816 1.00 0.00 C ATOM 99 C PHE A 11 -2.016 -9.531 1.787 1.00 0.00 C ATOM 100 O PHE A 11 -2.161 -9.846 2.968 1.00 0.00 O ATOM 101 CB PHE A 11 -4.223 -8.505 1.206 1.00 0.00 C ATOM 102 CG PHE A 11 -5.155 -8.135 0.087 1.00 0.00 C ATOM 103 CD1 PHE A 11 -4.800 -7.162 -0.834 1.00 0.00 C ATOM 104 CD2 PHE A 11 -6.384 -8.760 -0.045 1.00 0.00 C ATOM 105 CE1 PHE A 11 -5.656 -6.819 -1.864 1.00 0.00 C ATOM 106 CE2 PHE A 11 -7.244 -8.421 -1.073 1.00 0.00 C ATOM 107 CZ PHE A 11 -6.878 -7.450 -1.984 1.00 0.00 C ATOM 0 H PHE A 11 -3.765 -11.388 1.685 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.822 -9.352 -0.186 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.808 -8.870 2.050 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.700 -7.610 1.544 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.844 -6.666 -0.746 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -6.674 -9.521 0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.369 -6.058 -2.574 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -8.200 -8.915 -1.163 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.547 -7.185 -2.789 1.00 0.00 H new ATOM 117 N PHE A 12 -0.851 -9.144 1.280 1.00 0.00 N ATOM 118 CA PHE A 12 0.352 -9.067 2.101 1.00 0.00 C ATOM 119 C PHE A 12 0.825 -7.622 2.240 1.00 0.00 C ATOM 120 O PHE A 12 1.014 -6.921 1.245 1.00 0.00 O ATOM 121 CB PHE A 12 1.466 -9.923 1.493 1.00 0.00 C ATOM 122 CG PHE A 12 1.149 -11.391 1.473 1.00 0.00 C ATOM 123 CD1 PHE A 12 0.196 -11.896 0.603 1.00 0.00 C ATOM 124 CD2 PHE A 12 1.804 -12.266 2.324 1.00 0.00 C ATOM 125 CE1 PHE A 12 -0.097 -13.247 0.582 1.00 0.00 C ATOM 126 CE2 PHE A 12 1.516 -13.618 2.307 1.00 0.00 C ATOM 127 CZ PHE A 12 0.563 -14.108 1.436 1.00 0.00 C ATOM 0 H PHE A 12 -0.714 -8.879 0.305 1.00 0.00 H new ATOM 0 HA PHE A 12 0.109 -9.449 3.093 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.657 -9.587 0.474 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.384 -9.765 2.058 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.324 -11.227 -0.066 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.548 -11.888 3.009 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.841 -13.628 -0.102 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.036 -14.290 2.974 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.334 -15.163 1.423 1.00 0.00 H new ATOM 137 N CYS A 13 1.012 -7.184 3.480 1.00 0.00 N ATOM 138 CA CYS A 13 1.461 -5.824 3.751 1.00 0.00 C ATOM 139 C CYS A 13 2.740 -5.509 2.980 1.00 0.00 C ATOM 140 O CYS A 13 3.477 -6.412 2.585 1.00 0.00 O ATOM 141 CB CYS A 13 1.696 -5.632 5.251 1.00 0.00 C ATOM 142 SG CYS A 13 2.346 -3.990 5.697 1.00 0.00 S ATOM 0 H CYS A 13 0.859 -7.752 4.314 1.00 0.00 H new ATOM 0 HA CYS A 13 0.681 -5.138 3.421 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.756 -5.795 5.779 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.393 -6.394 5.599 1.00 0.00 H new ATOM 147 N ASN A 14 2.996 -4.222 2.771 1.00 0.00 N ATOM 148 CA ASN A 14 4.186 -3.787 2.047 1.00 0.00 C ATOM 149 C ASN A 14 5.356 -3.573 3.003 1.00 0.00 C ATOM 150 O ASN A 14 6.435 -4.133 2.812 1.00 0.00 O ATOM 151 CB ASN A 14 3.897 -2.496 1.279 1.00 0.00 C ATOM 152 CG ASN A 14 2.976 -2.721 0.095 1.00 0.00 C ATOM 153 OD1 ASN A 14 1.780 -2.438 0.162 1.00 0.00 O ATOM 154 ND2 ASN A 14 3.531 -3.235 -0.997 1.00 0.00 N ATOM 0 H ASN A 14 2.396 -3.462 3.092 1.00 0.00 H new ATOM 0 HA ASN A 14 4.457 -4.570 1.339 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.446 -1.768 1.954 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.836 -2.067 0.929 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.961 -3.410 -1.825 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.527 -3.454 -1.008 1.00 0.00 H new ATOM 161 N GLU A 15 5.132 -2.760 4.030 1.00 0.00 N ATOM 162 CA GLU A 15 6.169 -2.472 5.015 1.00 0.00 C ATOM 163 C GLU A 15 6.613 -3.747 5.726 1.00 0.00 C ATOM 164 O GLU A 15 7.785 -4.121 5.680 1.00 0.00 O ATOM 165 CB GLU A 15 5.662 -1.454 6.039 1.00 0.00 C ATOM 166 CG GLU A 15 5.635 -0.028 5.517 1.00 0.00 C ATOM 167 CD GLU A 15 6.886 0.333 4.740 1.00 0.00 C ATOM 168 OE1 GLU A 15 7.984 -0.092 5.155 1.00 0.00 O ATOM 169 OE2 GLU A 15 6.766 1.040 3.718 1.00 0.00 O ATOM 0 H GLU A 15 4.243 -2.290 4.202 1.00 0.00 H new ATOM 0 HA GLU A 15 7.027 -2.052 4.490 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.657 -1.736 6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.296 -1.496 6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.763 0.104 4.876 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.521 0.660 6.355 1.00 0.00 H new ATOM 176 N CYS A 16 5.668 -4.411 6.383 1.00 0.00 N ATOM 177 CA CYS A 16 5.960 -5.643 7.105 1.00 0.00 C ATOM 178 C CYS A 16 5.328 -6.845 6.409 1.00 0.00 C ATOM 179 O CYS A 16 4.599 -6.694 5.428 1.00 0.00 O ATOM 180 CB CYS A 16 5.451 -5.548 8.545 1.00 0.00 C ATOM 181 SG CYS A 16 3.653 -5.784 8.715 1.00 0.00 S ATOM 0 H CYS A 16 4.693 -4.116 6.430 1.00 0.00 H new ATOM 0 HA CYS A 16 7.041 -5.780 7.117 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.964 -6.296 9.150 1.00 0.00 H new ATOM 0 HB3 CYS A 16 5.718 -4.572 8.950 1.00 0.00 H new ATOM 186 N ASP A 17 5.611 -8.036 6.923 1.00 0.00 N ATOM 187 CA ASP A 17 5.070 -9.264 6.352 1.00 0.00 C ATOM 188 C ASP A 17 3.861 -9.746 7.148 1.00 0.00 C ATOM 189 O ASP A 17 3.982 -10.113 8.317 1.00 0.00 O ATOM 190 CB ASP A 17 6.143 -10.353 6.320 1.00 0.00 C ATOM 191 CG ASP A 17 5.896 -11.377 5.229 1.00 0.00 C ATOM 192 OD1 ASP A 17 4.991 -12.220 5.400 1.00 0.00 O ATOM 193 OD2 ASP A 17 6.609 -11.336 4.204 1.00 0.00 O ATOM 0 H ASP A 17 6.212 -8.178 7.735 1.00 0.00 H new ATOM 0 HA ASP A 17 4.750 -9.051 5.332 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.119 -9.893 6.168 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.175 -10.856 7.286 1.00 0.00 H new ATOM 198 N CYS A 18 2.698 -9.742 6.507 1.00 0.00 N ATOM 199 CA CYS A 18 1.466 -10.177 7.155 1.00 0.00 C ATOM 200 C CYS A 18 0.498 -10.775 6.139 1.00 0.00 C ATOM 201 O CYS A 18 0.776 -10.795 4.940 1.00 0.00 O ATOM 202 CB CYS A 18 0.804 -9.003 7.879 1.00 0.00 C ATOM 203 SG CYS A 18 -0.198 -9.486 9.305 1.00 0.00 S ATOM 0 H CYS A 18 2.582 -9.442 5.539 1.00 0.00 H new ATOM 0 HA CYS A 18 1.720 -10.947 7.883 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.578 -8.311 8.210 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.174 -8.462 7.172 1.00 0.00 H new ATOM 0 HG CYS A 18 -1.397 -8.999 9.178 1.00 0.00 H new ATOM 209 N ARG A 19 -0.637 -11.264 6.628 1.00 0.00 N ATOM 210 CA ARG A 19 -1.645 -11.865 5.763 1.00 0.00 C ATOM 211 C ARG A 19 -3.035 -11.329 6.092 1.00 0.00 C ATOM 212 O ARG A 19 -3.402 -11.204 7.261 1.00 0.00 O ATOM 213 CB ARG A 19 -1.627 -13.388 5.906 1.00 0.00 C ATOM 214 CG ARG A 19 -0.345 -14.032 5.402 1.00 0.00 C ATOM 215 CD ARG A 19 -0.435 -15.550 5.434 1.00 0.00 C ATOM 216 NE ARG A 19 0.425 -16.170 4.430 1.00 0.00 N ATOM 217 CZ ARG A 19 0.873 -17.418 4.516 1.00 0.00 C ATOM 218 NH1 ARG A 19 0.544 -18.174 5.554 1.00 0.00 N ATOM 219 NH2 ARG A 19 1.652 -17.911 3.561 1.00 0.00 N ATOM 0 H ARG A 19 -0.881 -11.256 7.618 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.408 -11.600 4.733 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.766 -13.648 6.955 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.473 -13.806 5.360 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.145 -13.700 4.383 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.494 -13.703 6.015 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.154 -15.909 6.424 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.468 -15.856 5.266 1.00 0.00 H new ATOM 0 HE ARG A 19 0.697 -15.615 3.619 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.055 -17.798 6.289 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.889 -19.132 5.617 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.907 -17.332 2.761 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.996 -18.869 3.627 1.00 0.00 H new ATOM 233 N PHE A 20 -3.803 -11.013 5.055 1.00 0.00 N ATOM 234 CA PHE A 20 -5.152 -10.489 5.234 1.00 0.00 C ATOM 235 C PHE A 20 -6.118 -11.122 4.237 1.00 0.00 C ATOM 236 O PHE A 20 -5.703 -11.821 3.313 1.00 0.00 O ATOM 237 CB PHE A 20 -5.156 -8.968 5.070 1.00 0.00 C ATOM 238 CG PHE A 20 -4.133 -8.270 5.919 1.00 0.00 C ATOM 239 CD1 PHE A 20 -4.168 -8.379 7.300 1.00 0.00 C ATOM 240 CD2 PHE A 20 -3.134 -7.506 5.337 1.00 0.00 C ATOM 241 CE1 PHE A 20 -3.228 -7.738 8.084 1.00 0.00 C ATOM 242 CE2 PHE A 20 -2.191 -6.863 6.115 1.00 0.00 C ATOM 243 CZ PHE A 20 -2.237 -6.980 7.491 1.00 0.00 C ATOM 0 H PHE A 20 -3.514 -11.111 4.082 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.482 -10.740 6.242 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.976 -8.723 4.023 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.146 -8.586 5.321 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.939 -8.972 7.769 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.092 -7.412 4.262 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.268 -7.829 9.159 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.419 -6.270 5.648 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.500 -6.480 8.102 1.00 0.00 H new ATOM 253 N SER A 21 -7.409 -10.872 4.433 1.00 0.00 N ATOM 254 CA SER A 21 -8.435 -11.421 3.554 1.00 0.00 C ATOM 255 C SER A 21 -8.928 -10.365 2.569 1.00 0.00 C ATOM 256 O SER A 21 -9.008 -10.613 1.366 1.00 0.00 O ATOM 257 CB SER A 21 -9.609 -11.954 4.377 1.00 0.00 C ATOM 258 OG SER A 21 -10.706 -12.287 3.545 1.00 0.00 O ATOM 0 H SER A 21 -7.769 -10.293 5.192 1.00 0.00 H new ATOM 0 HA SER A 21 -7.994 -12.242 2.989 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.294 -12.834 4.938 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.916 -11.204 5.106 1.00 0.00 H new ATOM 0 HG SER A 21 -11.443 -12.627 4.095 1.00 0.00 H new ATOM 264 N GLU A 22 -9.257 -9.187 3.089 1.00 0.00 N ATOM 265 CA GLU A 22 -9.743 -8.094 2.255 1.00 0.00 C ATOM 266 C GLU A 22 -8.667 -7.027 2.076 1.00 0.00 C ATOM 267 O GLU A 22 -7.704 -6.968 2.840 1.00 0.00 O ATOM 268 CB GLU A 22 -10.997 -7.470 2.872 1.00 0.00 C ATOM 269 CG GLU A 22 -12.264 -8.266 2.610 1.00 0.00 C ATOM 270 CD GLU A 22 -12.495 -8.527 1.134 1.00 0.00 C ATOM 271 OE1 GLU A 22 -12.158 -7.644 0.317 1.00 0.00 O ATOM 272 OE2 GLU A 22 -13.011 -9.613 0.797 1.00 0.00 O ATOM 0 H GLU A 22 -9.196 -8.965 4.083 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.993 -8.502 1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.854 -7.375 3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.123 -6.462 2.477 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.207 -9.218 3.139 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.119 -7.726 3.018 1.00 0.00 H new ATOM 279 N GLU A 23 -8.839 -6.186 1.061 1.00 0.00 N ATOM 280 CA GLU A 23 -7.882 -5.122 0.781 1.00 0.00 C ATOM 281 C GLU A 23 -7.958 -4.027 1.842 1.00 0.00 C ATOM 282 O GLU A 23 -6.955 -3.395 2.169 1.00 0.00 O ATOM 283 CB GLU A 23 -8.141 -4.524 -0.604 1.00 0.00 C ATOM 284 CG GLU A 23 -9.315 -3.560 -0.641 1.00 0.00 C ATOM 285 CD GLU A 23 -9.938 -3.452 -2.019 1.00 0.00 C ATOM 286 OE1 GLU A 23 -9.180 -3.394 -3.010 1.00 0.00 O ATOM 287 OE2 GLU A 23 -11.183 -3.425 -2.107 1.00 0.00 O ATOM 0 H GLU A 23 -9.631 -6.221 0.420 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.882 -5.554 0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.244 -4.004 -0.939 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.324 -5.333 -1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.072 -3.888 0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.981 -2.574 -0.319 1.00 0.00 H new ATOM 294 N ALA A 24 -9.157 -3.810 2.374 1.00 0.00 N ATOM 295 CA ALA A 24 -9.365 -2.794 3.398 1.00 0.00 C ATOM 296 C ALA A 24 -8.541 -3.096 4.645 1.00 0.00 C ATOM 297 O ALA A 24 -8.049 -2.185 5.311 1.00 0.00 O ATOM 298 CB ALA A 24 -10.842 -2.694 3.749 1.00 0.00 C ATOM 0 H ALA A 24 -9.998 -4.324 2.113 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.033 -1.836 2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.983 -1.931 4.515 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.410 -2.424 2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.193 -3.655 4.125 1.00 0.00 H new ATOM 304 N SER A 25 -8.396 -4.380 4.957 1.00 0.00 N ATOM 305 CA SER A 25 -7.636 -4.801 6.128 1.00 0.00 C ATOM 306 C SER A 25 -6.169 -4.402 5.995 1.00 0.00 C ATOM 307 O SER A 25 -5.570 -3.874 6.933 1.00 0.00 O ATOM 308 CB SER A 25 -7.750 -6.314 6.319 1.00 0.00 C ATOM 309 OG SER A 25 -8.948 -6.654 6.995 1.00 0.00 O ATOM 0 H SER A 25 -8.795 -5.147 4.415 1.00 0.00 H new ATOM 0 HA SER A 25 -8.053 -4.300 7.001 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.723 -6.809 5.348 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.893 -6.678 6.886 1.00 0.00 H new ATOM 0 HG SER A 25 -8.998 -7.627 7.103 1.00 0.00 H new ATOM 315 N LEU A 26 -5.596 -4.660 4.825 1.00 0.00 N ATOM 316 CA LEU A 26 -4.199 -4.329 4.567 1.00 0.00 C ATOM 317 C LEU A 26 -3.971 -2.824 4.658 1.00 0.00 C ATOM 318 O LEU A 26 -3.280 -2.342 5.556 1.00 0.00 O ATOM 319 CB LEU A 26 -3.780 -4.838 3.187 1.00 0.00 C ATOM 320 CG LEU A 26 -2.275 -4.936 2.936 1.00 0.00 C ATOM 321 CD1 LEU A 26 -2.000 -5.426 1.523 1.00 0.00 C ATOM 322 CD2 LEU A 26 -1.606 -3.590 3.176 1.00 0.00 C ATOM 0 H LEU A 26 -6.077 -5.098 4.039 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.589 -4.817 5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.218 -5.825 3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.212 -4.180 2.433 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.855 -5.658 3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.924 -5.489 1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.446 -6.411 1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.433 -4.729 0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.535 -3.678 2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.030 -2.847 2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.773 -3.279 4.207 1.00 0.00 H new ATOM 334 N LYS A 27 -4.557 -2.084 3.722 1.00 0.00 N ATOM 335 CA LYS A 27 -4.421 -0.633 3.697 1.00 0.00 C ATOM 336 C LYS A 27 -4.560 -0.049 5.100 1.00 0.00 C ATOM 337 O LYS A 27 -3.748 0.774 5.523 1.00 0.00 O ATOM 338 CB LYS A 27 -5.472 -0.017 2.771 1.00 0.00 C ATOM 339 CG LYS A 27 -5.008 0.122 1.331 1.00 0.00 C ATOM 340 CD LYS A 27 -5.312 -1.130 0.524 1.00 0.00 C ATOM 341 CE LYS A 27 -6.684 -1.053 -0.127 1.00 0.00 C ATOM 342 NZ LYS A 27 -7.759 -0.802 0.873 1.00 0.00 N ATOM 0 H LYS A 27 -5.131 -2.466 2.970 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.427 -0.393 3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.371 -0.632 2.796 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.748 0.967 3.152 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.498 0.980 0.871 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.936 0.318 1.310 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.550 -1.263 -0.244 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.265 -2.004 1.174 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.688 -0.258 -0.872 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.889 -1.985 -0.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.687 -0.857 0.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.707 -1.518 1.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.635 0.144 1.286 1.00 0.00 H new ATOM 356 N ARG A 28 -5.593 -0.481 5.816 1.00 0.00 N ATOM 357 CA ARG A 28 -5.837 0.000 7.170 1.00 0.00 C ATOM 358 C ARG A 28 -4.699 -0.403 8.103 1.00 0.00 C ATOM 359 O ARG A 28 -4.154 0.430 8.830 1.00 0.00 O ATOM 360 CB ARG A 28 -7.163 -0.552 7.699 1.00 0.00 C ATOM 361 CG ARG A 28 -7.754 0.267 8.834 1.00 0.00 C ATOM 362 CD ARG A 28 -8.345 1.574 8.329 1.00 0.00 C ATOM 363 NE ARG A 28 -8.767 2.443 9.424 1.00 0.00 N ATOM 364 CZ ARG A 28 -9.351 3.622 9.244 1.00 0.00 C ATOM 365 NH1 ARG A 28 -9.581 4.071 8.017 1.00 0.00 N ATOM 366 NH2 ARG A 28 -9.707 4.355 10.291 1.00 0.00 N ATOM 0 H ARG A 28 -6.274 -1.163 5.481 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.891 1.088 7.138 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.882 -0.594 6.880 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.010 -1.575 8.042 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.527 -0.313 9.338 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.981 0.478 9.573 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.607 2.093 7.718 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.199 1.361 7.686 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.604 2.127 10.380 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.309 3.510 7.209 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.030 4.977 7.881 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.532 4.013 11.236 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.155 5.260 10.151 1.00 0.00 H new ATOM 380 N HIS A 29 -4.345 -1.683 8.079 1.00 0.00 N ATOM 381 CA HIS A 29 -3.271 -2.196 8.922 1.00 0.00 C ATOM 382 C HIS A 29 -2.021 -1.330 8.797 1.00 0.00 C ATOM 383 O HIS A 29 -1.346 -1.048 9.788 1.00 0.00 O ATOM 384 CB HIS A 29 -2.943 -3.641 8.545 1.00 0.00 C ATOM 385 CG HIS A 29 -1.535 -4.039 8.863 1.00 0.00 C ATOM 386 ND1 HIS A 29 -1.202 -4.838 9.937 1.00 0.00 N ATOM 387 CD2 HIS A 29 -0.370 -3.744 8.241 1.00 0.00 C ATOM 388 CE1 HIS A 29 0.106 -5.016 9.962 1.00 0.00 C ATOM 389 NE2 HIS A 29 0.635 -4.363 8.943 1.00 0.00 N ATOM 0 H HIS A 29 -4.786 -2.385 7.485 1.00 0.00 H new ATOM 0 HA HIS A 29 -3.611 -2.167 9.957 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -3.627 -4.309 9.069 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.118 -3.778 7.478 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -1.863 -5.230 10.607 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.252 -3.135 7.357 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.651 -5.597 10.692 1.00 0.00 H new ATOM 397 N THR A 30 -1.718 -0.910 7.573 1.00 0.00 N ATOM 398 CA THR A 30 -0.549 -0.078 7.318 1.00 0.00 C ATOM 399 C THR A 30 -0.690 1.287 7.982 1.00 0.00 C ATOM 400 O THR A 30 0.234 1.768 8.639 1.00 0.00 O ATOM 401 CB THR A 30 -0.319 0.120 5.808 1.00 0.00 C ATOM 402 OG1 THR A 30 -0.159 -1.150 5.166 1.00 0.00 O ATOM 403 CG2 THR A 30 0.911 0.980 5.556 1.00 0.00 C ATOM 0 H THR A 30 -2.266 -1.133 6.742 1.00 0.00 H new ATOM 0 HA THR A 30 0.309 -0.599 7.744 1.00 0.00 H new ATOM 0 HB THR A 30 -1.190 0.629 5.394 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.015 -1.015 4.206 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.053 1.106 4.483 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.774 1.956 6.021 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.788 0.495 5.984 1.00 0.00 H new ATOM 411 N LEU A 31 -1.852 1.907 7.808 1.00 0.00 N ATOM 412 CA LEU A 31 -2.115 3.218 8.391 1.00 0.00 C ATOM 413 C LEU A 31 -2.053 3.158 9.914 1.00 0.00 C ATOM 414 O LEU A 31 -1.501 4.050 10.557 1.00 0.00 O ATOM 415 CB LEU A 31 -3.485 3.731 7.945 1.00 0.00 C ATOM 416 CG LEU A 31 -4.066 4.889 8.758 1.00 0.00 C ATOM 417 CD1 LEU A 31 -3.552 6.220 8.233 1.00 0.00 C ATOM 418 CD2 LEU A 31 -5.587 4.852 8.727 1.00 0.00 C ATOM 0 H LEU A 31 -2.627 1.523 7.268 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.345 3.906 8.041 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.412 4.045 6.904 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.190 2.900 7.978 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.741 4.781 9.793 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.976 7.032 8.823 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.465 6.246 8.308 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.846 6.338 7.190 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.983 5.683 9.311 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.932 4.935 7.696 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.937 3.911 9.152 1.00 0.00 H new ATOM 430 N GLN A 32 -2.622 2.100 10.483 1.00 0.00 N ATOM 431 CA GLN A 32 -2.630 1.924 11.931 1.00 0.00 C ATOM 432 C GLN A 32 -1.293 1.376 12.420 1.00 0.00 C ATOM 433 O GLN A 32 -0.567 2.045 13.155 1.00 0.00 O ATOM 434 CB GLN A 32 -3.763 0.983 12.345 1.00 0.00 C ATOM 435 CG GLN A 32 -4.027 0.971 13.842 1.00 0.00 C ATOM 436 CD GLN A 32 -4.256 2.359 14.405 1.00 0.00 C ATOM 437 OE1 GLN A 32 -4.638 3.280 13.682 1.00 0.00 O ATOM 438 NE2 GLN A 32 -4.026 2.518 15.703 1.00 0.00 N ATOM 0 H GLN A 32 -3.083 1.352 9.964 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.792 2.899 12.390 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.676 1.276 11.826 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.521 -0.029 12.019 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.899 0.351 14.048 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.181 0.511 14.353 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.710 1.728 16.266 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.165 3.430 16.138 1.00 0.00 H new ATOM 447 N THR A 33 -0.974 0.153 12.007 1.00 0.00 N ATOM 448 CA THR A 33 0.274 -0.486 12.404 1.00 0.00 C ATOM 449 C THR A 33 1.468 0.420 12.125 1.00 0.00 C ATOM 450 O THR A 33 2.334 0.604 12.982 1.00 0.00 O ATOM 451 CB THR A 33 0.478 -1.825 11.670 1.00 0.00 C ATOM 452 OG1 THR A 33 -0.687 -2.644 11.814 1.00 0.00 O ATOM 453 CG2 THR A 33 1.692 -2.561 12.215 1.00 0.00 C ATOM 0 H THR A 33 -1.563 -0.414 11.398 1.00 0.00 H new ATOM 0 HA THR A 33 0.206 -0.674 13.475 1.00 0.00 H new ATOM 0 HB THR A 33 0.645 -1.614 10.614 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.356 -2.381 11.148 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.816 -3.503 11.682 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.582 -1.947 12.078 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.550 -2.761 13.277 1.00 0.00 H new ATOM 461 N HIS A 34 1.509 0.984 10.923 1.00 0.00 N ATOM 462 CA HIS A 34 2.598 1.873 10.532 1.00 0.00 C ATOM 463 C HIS A 34 2.132 3.325 10.508 1.00 0.00 C ATOM 464 O HIS A 34 1.212 3.680 9.771 1.00 0.00 O ATOM 465 CB HIS A 34 3.140 1.476 9.158 1.00 0.00 C ATOM 466 CG HIS A 34 3.325 0.000 8.991 1.00 0.00 C ATOM 467 ND1 HIS A 34 3.994 -0.784 9.907 1.00 0.00 N ATOM 468 CD2 HIS A 34 2.922 -0.837 8.006 1.00 0.00 C ATOM 469 CE1 HIS A 34 3.996 -2.038 9.493 1.00 0.00 C ATOM 470 NE2 HIS A 34 3.351 -2.098 8.342 1.00 0.00 N ATOM 0 H HIS A 34 0.801 0.842 10.202 1.00 0.00 H new ATOM 0 HA HIS A 34 3.395 1.778 11.270 1.00 0.00 H new ATOM 0 HB2 HIS A 34 2.457 1.838 8.389 1.00 0.00 H new ATOM 0 HB3 HIS A 34 4.096 1.974 8.996 1.00 0.00 H new ATOM 0 HD1 HIS A 34 4.421 -0.448 10.770 1.00 0.00 H new ATOM 0 HD2 HIS A 34 2.367 -0.564 7.121 1.00 0.00 H new ATOM 0 HE1 HIS A 34 4.448 -2.873 10.008 1.00 0.00 H new ATOM 478 N SER A 35 2.772 4.161 11.319 1.00 0.00 N ATOM 479 CA SER A 35 2.420 5.574 11.394 1.00 0.00 C ATOM 480 C SER A 35 3.628 6.415 11.795 1.00 0.00 C ATOM 481 O SER A 35 4.359 6.068 12.723 1.00 0.00 O ATOM 482 CB SER A 35 1.282 5.786 12.394 1.00 0.00 C ATOM 483 OG SER A 35 1.733 5.604 13.725 1.00 0.00 O ATOM 0 H SER A 35 3.537 3.884 11.934 1.00 0.00 H new ATOM 0 HA SER A 35 2.089 5.893 10.406 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.875 6.790 12.279 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.472 5.087 12.182 1.00 0.00 H new ATOM 0 HG SER A 35 0.988 5.747 14.345 1.00 0.00 H new ATOM 489 N ASP A 36 3.831 7.522 11.089 1.00 0.00 N ATOM 490 CA ASP A 36 4.950 8.414 11.372 1.00 0.00 C ATOM 491 C ASP A 36 4.471 9.854 11.525 1.00 0.00 C ATOM 492 O ASP A 36 3.284 10.145 11.371 1.00 0.00 O ATOM 493 CB ASP A 36 5.993 8.326 10.257 1.00 0.00 C ATOM 494 CG ASP A 36 5.398 8.577 8.885 1.00 0.00 C ATOM 495 OD1 ASP A 36 4.344 7.982 8.578 1.00 0.00 O ATOM 496 OD2 ASP A 36 5.986 9.369 8.120 1.00 0.00 O ATOM 0 H ASP A 36 3.236 7.823 10.317 1.00 0.00 H new ATOM 0 HA ASP A 36 5.406 8.100 12.311 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.784 9.052 10.445 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.456 7.339 10.274 1.00 0.00 H new ATOM 501 N LYS A 37 5.401 10.752 11.831 1.00 0.00 N ATOM 502 CA LYS A 37 5.075 12.163 12.006 1.00 0.00 C ATOM 503 C LYS A 37 6.158 13.050 11.399 1.00 0.00 C ATOM 504 O LYS A 37 7.349 12.766 11.524 1.00 0.00 O ATOM 505 CB LYS A 37 4.908 12.488 13.491 1.00 0.00 C ATOM 506 CG LYS A 37 6.219 12.531 14.257 1.00 0.00 C ATOM 507 CD LYS A 37 6.841 13.916 14.221 1.00 0.00 C ATOM 508 CE LYS A 37 6.334 14.785 15.361 1.00 0.00 C ATOM 509 NZ LYS A 37 4.964 15.305 15.095 1.00 0.00 N ATOM 0 H LYS A 37 6.387 10.528 11.963 1.00 0.00 H new ATOM 0 HA LYS A 37 4.136 12.361 11.489 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.408 13.452 13.589 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.256 11.743 13.946 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.046 12.236 15.292 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.914 11.808 13.831 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.926 13.830 14.282 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.612 14.394 13.268 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.330 14.206 16.285 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.017 15.621 15.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.816 16.183 15.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.857 15.498 14.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.261 14.597 15.389 1.00 0.00 H new ATOM 523 N SER A 38 5.736 14.126 10.743 1.00 0.00 N ATOM 524 CA SER A 38 6.669 15.054 10.115 1.00 0.00 C ATOM 525 C SER A 38 6.138 16.483 10.174 1.00 0.00 C ATOM 526 O SER A 38 5.101 16.796 9.591 1.00 0.00 O ATOM 527 CB SER A 38 6.921 14.651 8.661 1.00 0.00 C ATOM 528 OG SER A 38 7.914 15.471 8.069 1.00 0.00 O ATOM 0 H SER A 38 4.754 14.377 10.633 1.00 0.00 H new ATOM 0 HA SER A 38 7.609 15.012 10.665 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.234 13.608 8.619 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.994 14.729 8.093 1.00 0.00 H new ATOM 0 HG SER A 38 7.591 16.395 8.024 1.00 0.00 H new ATOM 534 N GLY A 39 6.857 17.346 10.885 1.00 0.00 N ATOM 535 CA GLY A 39 6.443 18.732 11.009 1.00 0.00 C ATOM 536 C GLY A 39 6.687 19.525 9.740 1.00 0.00 C ATOM 537 O GLY A 39 5.870 19.530 8.819 1.00 0.00 O ATOM 0 H GLY A 39 7.719 17.110 11.377 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.383 18.770 11.260 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.983 19.197 11.834 1.00 0.00 H new ATOM 541 N PRO A 40 7.835 20.216 9.682 1.00 0.00 N ATOM 542 CA PRO A 40 8.210 21.031 8.522 1.00 0.00 C ATOM 543 C PRO A 40 8.546 20.181 7.301 1.00 0.00 C ATOM 544 O PRO A 40 8.432 20.639 6.164 1.00 0.00 O ATOM 545 CB PRO A 40 9.451 21.786 9.005 1.00 0.00 C ATOM 546 CG PRO A 40 10.026 20.924 10.076 1.00 0.00 C ATOM 547 CD PRO A 40 8.855 20.256 10.743 1.00 0.00 C ATOM 0 HA PRO A 40 7.396 21.681 8.201 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.163 21.937 8.194 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.190 22.772 9.388 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.710 20.186 9.658 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.596 21.518 10.791 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.109 19.256 11.094 1.00 0.00 H new ATOM 0 HD3 PRO A 40 8.511 20.820 11.610 1.00 0.00 H new ATOM 555 N SER A 41 8.959 18.941 7.544 1.00 0.00 N ATOM 556 CA SER A 41 9.314 18.029 6.464 1.00 0.00 C ATOM 557 C SER A 41 8.096 17.236 6.000 1.00 0.00 C ATOM 558 O SER A 41 7.035 17.286 6.622 1.00 0.00 O ATOM 559 CB SER A 41 10.417 17.071 6.918 1.00 0.00 C ATOM 560 OG SER A 41 11.117 16.536 5.809 1.00 0.00 O ATOM 0 H SER A 41 9.056 18.545 8.479 1.00 0.00 H new ATOM 0 HA SER A 41 9.680 18.623 5.627 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.113 17.597 7.572 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.981 16.260 7.502 1.00 0.00 H new ATOM 0 HG SER A 41 11.817 15.928 6.126 1.00 0.00 H new ATOM 566 N SER A 42 8.257 16.504 4.902 1.00 0.00 N ATOM 567 CA SER A 42 7.170 15.703 4.351 1.00 0.00 C ATOM 568 C SER A 42 5.937 16.564 4.093 1.00 0.00 C ATOM 569 O SER A 42 4.812 16.159 4.382 1.00 0.00 O ATOM 570 CB SER A 42 6.817 14.559 5.304 1.00 0.00 C ATOM 571 OG SER A 42 6.272 13.458 4.600 1.00 0.00 O ATOM 0 H SER A 42 9.130 16.449 4.377 1.00 0.00 H new ATOM 0 HA SER A 42 7.505 15.285 3.402 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.710 14.243 5.844 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.101 14.909 6.048 1.00 0.00 H new ATOM 0 HG SER A 42 6.056 12.740 5.231 1.00 0.00 H new ATOM 577 N GLY A 43 6.159 17.755 3.546 1.00 0.00 N ATOM 578 CA GLY A 43 5.058 18.656 3.258 1.00 0.00 C ATOM 579 C GLY A 43 4.963 19.793 4.255 1.00 0.00 C ATOM 580 O GLY A 43 5.704 20.767 4.124 1.00 0.00 O ATOM 0 H GLY A 43 7.081 18.112 3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.181 19.066 2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.123 18.095 3.261 1.00 0.00 H new TER 584 GLY A 43 HETATM 585 ZN ZN A 201 2.421 -3.960 8.086 1.00 0.00 ZN