USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 360 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 ALA N :NH3+ 178:sc= -0.0681 (180deg=-0.0775) USER MOD Single : A 2 HIS : no HD1:sc= -0.447 X(o=-0.45,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.317 X(o=-0.32,f=-0.091) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0176) USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= -0.113 (180deg=-0.574) USER MOD Single : A 21 LYS NZ :NH3+ 164:sc= 1.28 (180deg=1.03) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0108) USER MOD Single : A 27 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-0.54) USER MOD Single : A 28 TYR OH : rot -170:sc= -1.99! USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HE2:sc= -0.488 K(o=-0.49,f=-3.9!) USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= 1.23 (180deg=1.02) USER MOD Single : A 38 TYR OH : rot -18:sc= 0.816 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 HIS : no HE2:sc= 0.916 K(o=0.92,f=-4.2!) USER MOD Single : A 46 HIS : no HD1:sc= -0.849 K(o=-0.85,f=-0.18) USER MOD Single : A 48 TYR OH : rot 52:sc= 1.26 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.881 -7.149 -14.138 1.00 0.00 N ATOM 2 CA ALA A 1 -6.464 -6.990 -14.421 1.00 0.00 C ATOM 3 C ALA A 1 -5.835 -5.943 -13.514 1.00 0.00 C ATOM 4 O ALA A 1 -4.631 -5.701 -13.578 1.00 0.00 O ATOM 5 CB ALA A 1 -6.231 -6.647 -15.885 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.290 -7.844 -14.794 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.005 -7.481 -13.160 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.363 -6.235 -14.257 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.979 -7.945 -14.218 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -5.162 -6.534 -16.067 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.623 -7.447 -16.513 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.740 -5.714 -16.126 1.00 0.00 H new ATOM 11 N HIS A 2 -6.635 -5.318 -12.675 1.00 0.00 N ATOM 12 CA HIS A 2 -6.129 -4.317 -11.772 1.00 0.00 C ATOM 13 C HIS A 2 -5.985 -4.962 -10.415 1.00 0.00 C ATOM 14 O HIS A 2 -6.904 -5.651 -9.969 1.00 0.00 O ATOM 15 CB HIS A 2 -7.129 -3.137 -11.693 1.00 0.00 C ATOM 16 CG HIS A 2 -6.666 -1.927 -10.903 1.00 0.00 C ATOM 17 ND1 HIS A 2 -6.431 -0.697 -11.466 1.00 0.00 N ATOM 18 CD2 HIS A 2 -6.454 -1.765 -9.572 1.00 0.00 C ATOM 19 CE1 HIS A 2 -6.092 0.154 -10.494 1.00 0.00 C ATOM 20 NE2 HIS A 2 -6.091 -0.446 -9.318 1.00 0.00 N ATOM 0 H HIS A 2 -7.638 -5.489 -12.603 1.00 0.00 H new ATOM 0 HA HIS A 2 -5.169 -3.933 -12.116 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -7.363 -2.816 -12.708 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -8.057 -3.501 -11.252 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -6.552 -2.540 -8.826 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -5.851 1.195 -10.649 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -5.870 -0.030 -8.413 1.00 0.00 H new ATOM 28 N CYS A 3 -4.851 -4.773 -9.781 1.00 0.00 N ATOM 29 CA CYS A 3 -4.650 -5.257 -8.431 1.00 0.00 C ATOM 30 C CYS A 3 -5.455 -4.355 -7.520 1.00 0.00 C ATOM 31 O CYS A 3 -5.014 -3.269 -7.149 1.00 0.00 O ATOM 32 CB CYS A 3 -3.170 -5.231 -8.072 1.00 0.00 C ATOM 33 SG CYS A 3 -2.121 -6.164 -9.247 1.00 0.00 S ATOM 0 H CYS A 3 -4.049 -4.285 -10.179 1.00 0.00 H new ATOM 0 HA CYS A 3 -4.979 -6.291 -8.328 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.830 -4.196 -8.036 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.039 -5.644 -7.072 1.00 0.00 H new ATOM 38 N ASP A 4 -6.661 -4.774 -7.239 1.00 0.00 N ATOM 39 CA ASP A 4 -7.636 -3.918 -6.604 1.00 0.00 C ATOM 40 C ASP A 4 -8.058 -4.416 -5.237 1.00 0.00 C ATOM 41 O ASP A 4 -8.585 -3.652 -4.439 1.00 0.00 O ATOM 42 CB ASP A 4 -8.859 -3.800 -7.539 1.00 0.00 C ATOM 43 CG ASP A 4 -9.939 -2.860 -7.051 1.00 0.00 C ATOM 44 OD1 ASP A 4 -9.771 -1.644 -7.165 1.00 0.00 O ATOM 45 OD2 ASP A 4 -11.012 -3.332 -6.606 1.00 0.00 O ATOM 0 H ASP A 4 -6.997 -5.715 -7.442 1.00 0.00 H new ATOM 0 HA ASP A 4 -7.179 -2.942 -6.439 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.519 -3.464 -8.519 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -9.293 -4.791 -7.675 1.00 0.00 H new ATOM 50 N HIS A 5 -7.813 -5.670 -4.934 1.00 0.00 N ATOM 51 CA HIS A 5 -8.270 -6.192 -3.661 1.00 0.00 C ATOM 52 C HIS A 5 -7.363 -5.706 -2.529 1.00 0.00 C ATOM 53 O HIS A 5 -6.178 -6.031 -2.482 1.00 0.00 O ATOM 54 CB HIS A 5 -8.383 -7.732 -3.672 1.00 0.00 C ATOM 55 CG HIS A 5 -9.092 -8.297 -2.464 1.00 0.00 C ATOM 56 ND1 HIS A 5 -10.404 -8.713 -2.475 1.00 0.00 N ATOM 57 CD2 HIS A 5 -8.653 -8.489 -1.194 1.00 0.00 C ATOM 58 CE1 HIS A 5 -10.724 -9.128 -1.246 1.00 0.00 C ATOM 59 NE2 HIS A 5 -9.690 -9.015 -0.422 1.00 0.00 N ATOM 0 H HIS A 5 -7.316 -6.333 -5.529 1.00 0.00 H new ATOM 0 HA HIS A 5 -9.275 -5.807 -3.486 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -8.914 -8.042 -4.572 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -7.382 -8.161 -3.729 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -7.658 -8.269 -0.837 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -11.695 -9.505 -0.961 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -9.659 -9.261 0.567 1.00 0.00 H new ATOM 67 N PHE A 6 -7.931 -4.912 -1.656 1.00 0.00 N ATOM 68 CA PHE A 6 -7.243 -4.375 -0.503 1.00 0.00 C ATOM 69 C PHE A 6 -6.911 -5.494 0.468 1.00 0.00 C ATOM 70 O PHE A 6 -7.800 -6.184 0.967 1.00 0.00 O ATOM 71 CB PHE A 6 -8.127 -3.300 0.165 1.00 0.00 C ATOM 72 CG PHE A 6 -7.679 -2.829 1.527 1.00 0.00 C ATOM 73 CD1 PHE A 6 -6.770 -1.798 1.670 1.00 0.00 C ATOM 74 CD2 PHE A 6 -8.204 -3.418 2.673 1.00 0.00 C ATOM 75 CE1 PHE A 6 -6.396 -1.369 2.927 1.00 0.00 C ATOM 76 CE2 PHE A 6 -7.828 -2.995 3.921 1.00 0.00 C ATOM 77 CZ PHE A 6 -6.928 -1.972 4.051 1.00 0.00 C ATOM 0 H PHE A 6 -8.904 -4.613 -1.726 1.00 0.00 H new ATOM 0 HA PHE A 6 -6.307 -3.910 -0.813 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -8.178 -2.436 -0.498 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -9.139 -3.694 0.253 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -6.350 -1.326 0.794 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.919 -4.221 2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.687 -0.561 3.033 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -8.241 -3.468 4.800 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.633 -1.635 5.034 1.00 0.00 H new ATOM 87 N LEU A 7 -5.654 -5.686 0.705 1.00 0.00 N ATOM 88 CA LEU A 7 -5.193 -6.704 1.606 1.00 0.00 C ATOM 89 C LEU A 7 -5.022 -6.123 2.994 1.00 0.00 C ATOM 90 O LEU A 7 -5.664 -6.571 3.944 1.00 0.00 O ATOM 91 CB LEU A 7 -3.863 -7.289 1.125 1.00 0.00 C ATOM 92 CG LEU A 7 -3.863 -7.936 -0.261 1.00 0.00 C ATOM 93 CD1 LEU A 7 -2.462 -8.371 -0.619 1.00 0.00 C ATOM 94 CD2 LEU A 7 -4.809 -9.128 -0.309 1.00 0.00 C ATOM 0 H LEU A 7 -4.908 -5.138 0.277 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.935 -7.502 1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.119 -6.493 1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.537 -8.035 1.850 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.211 -7.200 -0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.465 -8.832 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.802 -7.503 -0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.106 -9.092 0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.789 -9.569 -1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.494 -9.872 0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.822 -8.798 -0.078 1.00 0.00 H new ATOM 106 N GLY A 8 -4.205 -5.100 3.104 1.00 0.00 N ATOM 107 CA GLY A 8 -3.918 -4.541 4.394 1.00 0.00 C ATOM 108 C GLY A 8 -3.310 -3.169 4.308 1.00 0.00 C ATOM 109 O GLY A 8 -3.271 -2.565 3.225 1.00 0.00 O ATOM 0 H GLY A 8 -3.735 -4.646 2.321 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.838 -4.491 4.977 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.237 -5.203 4.929 1.00 0.00 H new ATOM 113 N GLU A 9 -2.810 -2.697 5.429 1.00 0.00 N ATOM 114 CA GLU A 9 -2.256 -1.357 5.564 1.00 0.00 C ATOM 115 C GLU A 9 -0.834 -1.420 6.083 1.00 0.00 C ATOM 116 O GLU A 9 -0.568 -2.019 7.146 1.00 0.00 O ATOM 117 CB GLU A 9 -3.099 -0.558 6.547 1.00 0.00 C ATOM 118 CG GLU A 9 -4.526 -0.393 6.111 1.00 0.00 C ATOM 119 CD GLU A 9 -5.420 0.036 7.224 1.00 0.00 C ATOM 120 OE1 GLU A 9 -5.603 1.258 7.438 1.00 0.00 O ATOM 121 OE2 GLU A 9 -5.984 -0.841 7.903 1.00 0.00 O ATOM 0 H GLU A 9 -2.774 -3.240 6.292 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.261 -0.879 4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.078 -1.053 7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.652 0.427 6.681 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.574 0.342 5.308 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.888 -1.336 5.702 1.00 0.00 H new ATOM 128 N ALA A 10 0.058 -0.822 5.363 1.00 0.00 N ATOM 129 CA ALA A 10 1.444 -0.768 5.750 1.00 0.00 C ATOM 130 C ALA A 10 1.802 0.653 6.204 1.00 0.00 C ATOM 131 O ALA A 10 1.185 1.625 5.753 1.00 0.00 O ATOM 132 CB ALA A 10 2.331 -1.197 4.585 1.00 0.00 C ATOM 0 H ALA A 10 -0.148 -0.351 4.482 1.00 0.00 H new ATOM 0 HA ALA A 10 1.611 -1.454 6.581 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.377 -1.152 4.888 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.081 -2.217 4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.170 -0.528 3.739 1.00 0.00 H new ATOM 138 N PRO A 11 2.739 0.797 7.147 1.00 0.00 N ATOM 139 CA PRO A 11 3.228 2.104 7.552 1.00 0.00 C ATOM 140 C PRO A 11 4.389 2.558 6.642 1.00 0.00 C ATOM 141 O PRO A 11 5.461 1.934 6.622 1.00 0.00 O ATOM 142 CB PRO A 11 3.707 1.871 8.988 1.00 0.00 C ATOM 143 CG PRO A 11 4.064 0.413 9.066 1.00 0.00 C ATOM 144 CD PRO A 11 3.364 -0.291 7.925 1.00 0.00 C ATOM 0 HA PRO A 11 2.474 2.888 7.480 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.568 2.498 9.220 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.927 2.122 9.707 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.143 0.279 8.994 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.754 -0.007 10.023 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.068 -0.859 7.318 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.618 -0.996 8.292 1.00 0.00 H new ATOM 152 N VAL A 12 4.157 3.600 5.863 1.00 0.00 N ATOM 153 CA VAL A 12 5.140 4.113 4.911 1.00 0.00 C ATOM 154 C VAL A 12 5.106 5.633 4.935 1.00 0.00 C ATOM 155 O VAL A 12 4.108 6.228 4.555 1.00 0.00 O ATOM 156 CB VAL A 12 4.827 3.657 3.445 1.00 0.00 C ATOM 157 CG1 VAL A 12 5.898 4.138 2.473 1.00 0.00 C ATOM 158 CG2 VAL A 12 4.680 2.156 3.347 1.00 0.00 C ATOM 0 H VAL A 12 3.279 4.120 5.869 1.00 0.00 H new ATOM 0 HA VAL A 12 6.115 3.723 5.204 1.00 0.00 H new ATOM 0 HB VAL A 12 3.876 4.113 3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.651 3.805 1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.946 5.227 2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.865 3.727 2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.463 1.878 2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.607 1.678 3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.864 1.828 3.990 1.00 0.00 H new ATOM 168 N TYR A 13 6.162 6.253 5.387 1.00 0.00 N ATOM 169 CA TYR A 13 6.233 7.694 5.405 1.00 0.00 C ATOM 170 C TYR A 13 7.662 8.154 5.107 1.00 0.00 C ATOM 171 O TYR A 13 8.609 7.656 5.718 1.00 0.00 O ATOM 172 CB TYR A 13 5.728 8.272 6.747 1.00 0.00 C ATOM 173 CG TYR A 13 5.740 9.789 6.792 1.00 0.00 C ATOM 174 CD1 TYR A 13 6.749 10.477 7.451 1.00 0.00 C ATOM 175 CD2 TYR A 13 4.758 10.532 6.145 1.00 0.00 C ATOM 176 CE1 TYR A 13 6.781 11.851 7.465 1.00 0.00 C ATOM 177 CE2 TYR A 13 4.784 11.913 6.162 1.00 0.00 C ATOM 178 CZ TYR A 13 5.802 12.563 6.823 1.00 0.00 C ATOM 179 OH TYR A 13 5.849 13.930 6.831 1.00 0.00 O ATOM 0 H TYR A 13 6.991 5.782 5.750 1.00 0.00 H new ATOM 0 HA TYR A 13 5.575 8.077 4.625 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.713 7.918 6.927 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.348 7.887 7.556 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.523 9.923 7.962 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.963 10.021 5.621 1.00 0.00 H new ATOM 0 HE1 TYR A 13 7.576 12.368 7.981 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.012 12.478 5.661 1.00 0.00 H new ATOM 0 HH TYR A 13 5.085 14.287 6.332 1.00 0.00 H new ATOM 189 N PRO A 14 7.858 9.070 4.133 1.00 0.00 N ATOM 190 CA PRO A 14 6.779 9.623 3.295 1.00 0.00 C ATOM 191 C PRO A 14 6.282 8.572 2.306 1.00 0.00 C ATOM 192 O PRO A 14 7.068 7.762 1.797 1.00 0.00 O ATOM 193 CB PRO A 14 7.461 10.783 2.548 1.00 0.00 C ATOM 194 CG PRO A 14 8.757 10.990 3.249 1.00 0.00 C ATOM 195 CD PRO A 14 9.150 9.652 3.781 1.00 0.00 C ATOM 0 HA PRO A 14 5.910 9.940 3.872 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.616 10.538 1.497 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.849 11.684 2.578 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.513 11.377 2.566 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.654 11.716 4.055 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.676 9.056 3.035 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.809 9.735 4.646 1.00 0.00 H new ATOM 203 N CYS A 15 5.015 8.568 2.038 1.00 0.00 N ATOM 204 CA CYS A 15 4.458 7.537 1.219 1.00 0.00 C ATOM 205 C CYS A 15 4.357 8.007 -0.219 1.00 0.00 C ATOM 206 O CYS A 15 3.935 9.136 -0.494 1.00 0.00 O ATOM 207 CB CYS A 15 3.097 7.109 1.757 1.00 0.00 C ATOM 208 SG CYS A 15 2.455 5.566 1.029 1.00 0.00 S ATOM 0 H CYS A 15 4.348 9.264 2.372 1.00 0.00 H new ATOM 0 HA CYS A 15 5.117 6.669 1.245 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.169 6.985 2.838 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.379 7.909 1.575 1.00 0.00 H new ATOM 213 N LYS A 16 4.762 7.158 -1.122 1.00 0.00 N ATOM 214 CA LYS A 16 4.742 7.429 -2.519 1.00 0.00 C ATOM 215 C LYS A 16 4.199 6.172 -3.184 1.00 0.00 C ATOM 216 O LYS A 16 4.304 5.101 -2.588 1.00 0.00 O ATOM 217 CB LYS A 16 6.176 7.675 -2.962 1.00 0.00 C ATOM 218 CG LYS A 16 6.338 8.519 -4.197 1.00 0.00 C ATOM 219 CD LYS A 16 5.780 9.901 -3.962 1.00 0.00 C ATOM 220 CE LYS A 16 6.225 10.889 -5.038 1.00 0.00 C ATOM 221 NZ LYS A 16 5.872 10.459 -6.413 1.00 0.00 N ATOM 0 H LYS A 16 5.125 6.233 -0.892 1.00 0.00 H new ATOM 0 HA LYS A 16 4.133 8.296 -2.776 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.713 8.154 -2.143 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.654 6.711 -3.137 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.392 8.586 -4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.825 8.050 -5.037 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.691 9.854 -3.942 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.102 10.260 -2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.770 11.860 -4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.305 11.024 -4.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.109 11.216 -7.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.406 9.600 -6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.853 10.258 -6.463 1.00 0.00 H new ATOM 235 N GLU A 17 3.642 6.300 -4.379 1.00 0.00 N ATOM 236 CA GLU A 17 3.042 5.199 -5.137 1.00 0.00 C ATOM 237 C GLU A 17 3.967 3.964 -5.196 1.00 0.00 C ATOM 238 O GLU A 17 3.556 2.836 -4.862 1.00 0.00 O ATOM 239 CB GLU A 17 2.759 5.715 -6.548 1.00 0.00 C ATOM 240 CG GLU A 17 2.109 4.731 -7.497 1.00 0.00 C ATOM 241 CD GLU A 17 0.687 4.358 -7.125 1.00 0.00 C ATOM 242 OE1 GLU A 17 0.308 3.162 -7.270 1.00 0.00 O ATOM 243 OE2 GLU A 17 -0.085 5.247 -6.733 1.00 0.00 O ATOM 0 H GLU A 17 3.591 7.195 -4.866 1.00 0.00 H new ATOM 0 HA GLU A 17 2.125 4.877 -4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.117 6.593 -6.470 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.700 6.046 -6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.111 5.156 -8.501 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.713 3.825 -7.533 1.00 0.00 H new ATOM 250 N LYS A 18 5.208 4.179 -5.588 1.00 0.00 N ATOM 251 CA LYS A 18 6.150 3.089 -5.715 1.00 0.00 C ATOM 252 C LYS A 18 6.658 2.641 -4.344 1.00 0.00 C ATOM 253 O LYS A 18 6.862 1.455 -4.116 1.00 0.00 O ATOM 254 CB LYS A 18 7.310 3.474 -6.631 1.00 0.00 C ATOM 255 CG LYS A 18 8.225 2.321 -6.989 1.00 0.00 C ATOM 256 CD LYS A 18 9.310 2.759 -7.950 1.00 0.00 C ATOM 257 CE LYS A 18 10.141 1.576 -8.418 1.00 0.00 C ATOM 258 NZ LYS A 18 9.311 0.570 -9.114 1.00 0.00 N ATOM 0 H LYS A 18 5.585 5.097 -5.823 1.00 0.00 H new ATOM 0 HA LYS A 18 5.629 2.246 -6.170 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.907 3.903 -7.549 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.898 4.253 -6.147 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.679 1.919 -6.083 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.642 1.517 -7.437 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.859 3.253 -8.811 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.956 3.491 -7.464 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.928 1.925 -9.087 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.632 1.114 -7.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.919 -0.034 -9.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.815 -0.016 -8.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.614 1.052 -9.717 1.00 0.00 H new ATOM 272 N ALA A 19 6.826 3.588 -3.432 1.00 0.00 N ATOM 273 CA ALA A 19 7.292 3.282 -2.077 1.00 0.00 C ATOM 274 C ALA A 19 6.299 2.386 -1.366 1.00 0.00 C ATOM 275 O ALA A 19 6.678 1.390 -0.768 1.00 0.00 O ATOM 276 CB ALA A 19 7.513 4.555 -1.272 1.00 0.00 C ATOM 0 H ALA A 19 6.648 4.578 -3.601 1.00 0.00 H new ATOM 0 HA ALA A 19 8.245 2.760 -2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.858 4.297 -0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.263 5.173 -1.767 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.576 5.108 -1.201 1.00 0.00 H new ATOM 282 N CYS A 20 5.030 2.731 -1.480 1.00 0.00 N ATOM 283 CA CYS A 20 3.947 1.973 -0.877 1.00 0.00 C ATOM 284 C CYS A 20 3.949 0.563 -1.484 1.00 0.00 C ATOM 285 O CYS A 20 3.985 -0.424 -0.770 1.00 0.00 O ATOM 286 CB CYS A 20 2.608 2.710 -1.128 1.00 0.00 C ATOM 287 SG CYS A 20 1.139 2.074 -0.237 1.00 0.00 S ATOM 0 H CYS A 20 4.718 3.552 -1.998 1.00 0.00 H new ATOM 0 HA CYS A 20 4.078 1.885 0.202 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.741 3.758 -0.860 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.398 2.679 -2.197 1.00 0.00 H new ATOM 292 N LYS A 21 4.043 0.504 -2.817 1.00 0.00 N ATOM 293 CA LYS A 21 4.099 -0.757 -3.577 1.00 0.00 C ATOM 294 C LYS A 21 5.250 -1.642 -3.068 1.00 0.00 C ATOM 295 O LYS A 21 5.075 -2.838 -2.808 1.00 0.00 O ATOM 296 CB LYS A 21 4.356 -0.422 -5.051 1.00 0.00 C ATOM 297 CG LYS A 21 4.345 -1.600 -6.016 1.00 0.00 C ATOM 298 CD LYS A 21 4.745 -1.140 -7.416 1.00 0.00 C ATOM 299 CE LYS A 21 4.713 -2.274 -8.433 1.00 0.00 C ATOM 300 NZ LYS A 21 3.349 -2.780 -8.671 1.00 0.00 N ATOM 0 H LYS A 21 4.083 1.335 -3.407 1.00 0.00 H new ATOM 0 HA LYS A 21 3.158 -1.292 -3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.603 0.296 -5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.323 0.075 -5.127 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.033 -2.371 -5.668 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.352 -2.048 -6.043 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.072 -0.346 -7.740 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.748 -0.714 -7.383 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.137 -1.925 -9.375 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.344 -3.091 -8.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.336 -3.345 -9.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.054 -3.374 -7.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.693 -1.979 -8.767 1.00 0.00 H new ATOM 314 N SER A 22 6.400 -1.023 -2.911 1.00 0.00 N ATOM 315 CA SER A 22 7.610 -1.694 -2.516 1.00 0.00 C ATOM 316 C SER A 22 7.505 -2.206 -1.058 1.00 0.00 C ATOM 317 O SER A 22 7.811 -3.376 -0.776 1.00 0.00 O ATOM 318 CB SER A 22 8.795 -0.720 -2.700 1.00 0.00 C ATOM 319 OG SER A 22 10.054 -1.379 -2.684 1.00 0.00 O ATOM 0 H SER A 22 6.518 -0.021 -3.058 1.00 0.00 H new ATOM 0 HA SER A 22 7.772 -2.571 -3.143 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.680 -0.188 -3.645 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.771 0.028 -1.908 1.00 0.00 H new ATOM 0 HG SER A 22 10.769 -0.720 -2.806 1.00 0.00 H new ATOM 325 N VAL A 23 7.026 -1.357 -0.153 1.00 0.00 N ATOM 326 CA VAL A 23 6.911 -1.727 1.257 1.00 0.00 C ATOM 327 C VAL A 23 5.769 -2.745 1.463 1.00 0.00 C ATOM 328 O VAL A 23 5.845 -3.644 2.330 1.00 0.00 O ATOM 329 CB VAL A 23 6.747 -0.478 2.176 1.00 0.00 C ATOM 330 CG1 VAL A 23 6.639 -0.875 3.635 1.00 0.00 C ATOM 331 CG2 VAL A 23 7.917 0.481 1.995 1.00 0.00 C ATOM 0 H VAL A 23 6.712 -0.411 -0.368 1.00 0.00 H new ATOM 0 HA VAL A 23 7.844 -2.207 1.551 1.00 0.00 H new ATOM 0 HB VAL A 23 5.823 0.021 1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.526 0.019 4.248 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.772 -1.522 3.773 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.541 -1.408 3.935 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.783 1.345 2.645 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.847 -0.026 2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.960 0.811 0.957 1.00 0.00 H new ATOM 341 N CYS A 24 4.740 -2.647 0.640 1.00 0.00 N ATOM 342 CA CYS A 24 3.669 -3.626 0.653 1.00 0.00 C ATOM 343 C CYS A 24 4.183 -5.018 0.343 1.00 0.00 C ATOM 344 O CYS A 24 3.639 -5.985 0.827 1.00 0.00 O ATOM 345 CB CYS A 24 2.527 -3.251 -0.287 1.00 0.00 C ATOM 346 SG CYS A 24 1.486 -1.899 0.318 1.00 0.00 S ATOM 0 H CYS A 24 4.624 -1.900 -0.045 1.00 0.00 H new ATOM 0 HA CYS A 24 3.267 -3.629 1.666 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.944 -2.970 -1.254 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.903 -4.130 -0.452 1.00 0.00 H new ATOM 351 N LYS A 25 5.269 -5.115 -0.418 1.00 0.00 N ATOM 352 CA LYS A 25 5.869 -6.410 -0.726 1.00 0.00 C ATOM 353 C LYS A 25 6.743 -6.901 0.416 1.00 0.00 C ATOM 354 O LYS A 25 7.124 -8.070 0.466 1.00 0.00 O ATOM 355 CB LYS A 25 6.670 -6.375 -2.026 1.00 0.00 C ATOM 356 CG LYS A 25 5.833 -6.198 -3.287 1.00 0.00 C ATOM 357 CD LYS A 25 4.818 -7.332 -3.473 1.00 0.00 C ATOM 358 CE LYS A 25 5.471 -8.716 -3.619 1.00 0.00 C ATOM 359 NZ LYS A 25 6.347 -8.816 -4.811 1.00 0.00 N ATOM 0 H LYS A 25 5.750 -4.316 -0.831 1.00 0.00 H new ATOM 0 HA LYS A 25 5.046 -7.112 -0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.393 -5.561 -1.969 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.239 -7.301 -2.111 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.306 -5.245 -3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.491 -6.156 -4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.140 -7.346 -2.620 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.214 -7.128 -4.357 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.056 -8.933 -2.725 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.692 -9.475 -3.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.720 -9.784 -4.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.799 -8.587 -5.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.138 -8.147 -4.718 1.00 0.00 H new ATOM 373 N GLU A 26 7.072 -6.013 1.317 1.00 0.00 N ATOM 374 CA GLU A 26 7.863 -6.369 2.468 1.00 0.00 C ATOM 375 C GLU A 26 6.943 -6.892 3.550 1.00 0.00 C ATOM 376 O GLU A 26 7.305 -7.775 4.328 1.00 0.00 O ATOM 377 CB GLU A 26 8.661 -5.169 2.962 1.00 0.00 C ATOM 378 CG GLU A 26 9.531 -4.564 1.883 1.00 0.00 C ATOM 379 CD GLU A 26 10.376 -3.426 2.366 1.00 0.00 C ATOM 380 OE1 GLU A 26 9.884 -2.296 2.448 1.00 0.00 O ATOM 381 OE2 GLU A 26 11.574 -3.637 2.626 1.00 0.00 O ATOM 0 H GLU A 26 6.802 -5.030 1.276 1.00 0.00 H new ATOM 0 HA GLU A 26 8.577 -7.147 2.197 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.974 -4.410 3.337 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.288 -5.474 3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.179 -5.339 1.473 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.896 -4.215 1.069 1.00 0.00 H new ATOM 388 N HIS A 27 5.746 -6.342 3.599 1.00 0.00 N ATOM 389 CA HIS A 27 4.750 -6.810 4.553 1.00 0.00 C ATOM 390 C HIS A 27 3.929 -7.974 3.997 1.00 0.00 C ATOM 391 O HIS A 27 3.697 -8.957 4.689 1.00 0.00 O ATOM 392 CB HIS A 27 3.823 -5.675 5.033 1.00 0.00 C ATOM 393 CG HIS A 27 4.511 -4.605 5.837 1.00 0.00 C ATOM 394 ND1 HIS A 27 4.503 -4.546 7.215 1.00 0.00 N ATOM 395 CD2 HIS A 27 5.228 -3.538 5.426 1.00 0.00 C ATOM 396 CE1 HIS A 27 5.201 -3.468 7.589 1.00 0.00 C ATOM 397 NE2 HIS A 27 5.664 -2.814 6.537 1.00 0.00 N ATOM 0 H HIS A 27 5.438 -5.578 2.998 1.00 0.00 H new ATOM 0 HA HIS A 27 5.305 -7.172 5.418 1.00 0.00 H new ATOM 0 HB2 HIS A 27 3.354 -5.214 4.164 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.023 -6.106 5.635 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.433 -3.284 4.397 1.00 0.00 H new ATOM 0 HE1 HIS A 27 5.365 -3.171 8.614 1.00 0.00 H new ATOM 0 HE2 HIS A 27 6.222 -1.960 6.537 1.00 0.00 H new ATOM 405 N TYR A 28 3.523 -7.878 2.757 1.00 0.00 N ATOM 406 CA TYR A 28 2.665 -8.882 2.164 1.00 0.00 C ATOM 407 C TYR A 28 3.329 -9.505 0.956 1.00 0.00 C ATOM 408 O TYR A 28 3.967 -8.822 0.161 1.00 0.00 O ATOM 409 CB TYR A 28 1.316 -8.269 1.744 1.00 0.00 C ATOM 410 CG TYR A 28 0.541 -7.614 2.868 1.00 0.00 C ATOM 411 CD1 TYR A 28 -0.298 -8.355 3.687 1.00 0.00 C ATOM 412 CD2 TYR A 28 0.653 -6.250 3.109 1.00 0.00 C ATOM 413 CE1 TYR A 28 -0.997 -7.754 4.713 1.00 0.00 C ATOM 414 CE2 TYR A 28 -0.045 -5.647 4.132 1.00 0.00 C ATOM 415 CZ TYR A 28 -0.864 -6.402 4.929 1.00 0.00 C ATOM 416 OH TYR A 28 -1.547 -5.807 5.952 1.00 0.00 O ATOM 0 H TYR A 28 3.772 -7.112 2.132 1.00 0.00 H new ATOM 0 HA TYR A 28 2.488 -9.653 2.914 1.00 0.00 H new ATOM 0 HB2 TYR A 28 1.496 -7.528 0.965 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.698 -9.051 1.303 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.405 -9.416 3.519 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.299 -5.652 2.483 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.646 -8.343 5.344 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.053 -4.585 4.305 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.471 -4.833 5.873 1.00 0.00 H new ATOM 426 N HIS A 29 3.155 -10.783 0.811 1.00 0.00 N ATOM 427 CA HIS A 29 3.707 -11.526 -0.307 1.00 0.00 C ATOM 428 C HIS A 29 2.744 -11.421 -1.485 1.00 0.00 C ATOM 429 O HIS A 29 3.139 -11.471 -2.645 1.00 0.00 O ATOM 430 CB HIS A 29 3.886 -13.018 0.064 1.00 0.00 C ATOM 431 CG HIS A 29 4.796 -13.297 1.238 1.00 0.00 C ATOM 432 ND1 HIS A 29 6.028 -13.906 1.134 1.00 0.00 N ATOM 433 CD2 HIS A 29 4.603 -13.082 2.569 1.00 0.00 C ATOM 434 CE1 HIS A 29 6.537 -14.045 2.359 1.00 0.00 C ATOM 435 NE2 HIS A 29 5.708 -13.558 3.275 1.00 0.00 N ATOM 0 H HIS A 29 2.622 -11.356 1.466 1.00 0.00 H new ATOM 0 HA HIS A 29 4.681 -11.110 -0.565 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.905 -13.440 0.280 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.275 -13.546 -0.807 1.00 0.00 H new ATOM 0 HD2 HIS A 29 3.733 -12.617 3.008 1.00 0.00 H new ATOM 0 HE1 HIS A 29 7.495 -14.494 2.577 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.850 -13.536 4.285 1.00 0.00 H new ATOM 443 N HIS A 30 1.480 -11.241 -1.161 1.00 0.00 N ATOM 444 CA HIS A 30 0.401 -11.185 -2.150 1.00 0.00 C ATOM 445 C HIS A 30 0.102 -9.773 -2.640 1.00 0.00 C ATOM 446 O HIS A 30 -0.861 -9.562 -3.392 1.00 0.00 O ATOM 447 CB HIS A 30 -0.878 -11.805 -1.581 1.00 0.00 C ATOM 448 CG HIS A 30 -0.894 -13.301 -1.547 1.00 0.00 C ATOM 449 ND1 HIS A 30 -1.769 -14.053 -2.287 1.00 0.00 N ATOM 450 CD2 HIS A 30 -0.155 -14.180 -0.832 1.00 0.00 C ATOM 451 CE1 HIS A 30 -1.551 -15.339 -2.014 1.00 0.00 C ATOM 452 NE2 HIS A 30 -0.574 -15.474 -1.133 1.00 0.00 N ATOM 0 H HIS A 30 1.161 -11.128 -0.199 1.00 0.00 H new ATOM 0 HA HIS A 30 0.750 -11.757 -3.009 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.025 -11.432 -0.567 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -1.726 -11.461 -2.174 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -2.468 -13.690 -2.936 1.00 0.00 H new ATOM 0 HD2 HIS A 30 0.632 -13.921 -0.140 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -2.098 -16.160 -2.453 1.00 0.00 H new ATOM 460 N ALA A 31 0.912 -8.814 -2.244 1.00 0.00 N ATOM 461 CA ALA A 31 0.666 -7.444 -2.636 1.00 0.00 C ATOM 462 C ALA A 31 1.091 -7.199 -4.069 1.00 0.00 C ATOM 463 O ALA A 31 1.875 -7.953 -4.646 1.00 0.00 O ATOM 464 CB ALA A 31 1.340 -6.465 -1.702 1.00 0.00 C ATOM 0 H ALA A 31 1.736 -8.955 -1.659 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.409 -7.278 -2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.131 -5.447 -2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.959 -6.606 -0.691 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.416 -6.636 -1.711 1.00 0.00 H new ATOM 470 N CYS A 32 0.560 -6.166 -4.634 1.00 0.00 N ATOM 471 CA CYS A 32 0.833 -5.795 -5.993 1.00 0.00 C ATOM 472 C CYS A 32 0.873 -4.274 -6.138 1.00 0.00 C ATOM 473 O CYS A 32 1.820 -3.723 -6.688 1.00 0.00 O ATOM 474 CB CYS A 32 -0.237 -6.404 -6.904 1.00 0.00 C ATOM 475 SG CYS A 32 -0.218 -5.822 -8.629 1.00 0.00 S ATOM 0 H CYS A 32 -0.090 -5.540 -4.159 1.00 0.00 H new ATOM 0 HA CYS A 32 1.811 -6.179 -6.285 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.117 -7.487 -6.903 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.217 -6.191 -6.477 1.00 0.00 H new ATOM 480 N LYS A 33 -0.120 -3.598 -5.608 1.00 0.00 N ATOM 481 CA LYS A 33 -0.206 -2.153 -5.733 1.00 0.00 C ATOM 482 C LYS A 33 -0.338 -1.553 -4.354 1.00 0.00 C ATOM 483 O LYS A 33 -0.808 -2.220 -3.446 1.00 0.00 O ATOM 484 CB LYS A 33 -1.416 -1.762 -6.623 1.00 0.00 C ATOM 485 CG LYS A 33 -1.646 -0.253 -6.782 1.00 0.00 C ATOM 486 CD LYS A 33 -2.854 0.043 -7.651 1.00 0.00 C ATOM 487 CE LYS A 33 -3.156 1.540 -7.722 1.00 0.00 C ATOM 488 NZ LYS A 33 -2.037 2.342 -8.284 1.00 0.00 N ATOM 0 H LYS A 33 -0.884 -4.023 -5.083 1.00 0.00 H new ATOM 0 HA LYS A 33 0.696 -1.768 -6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.276 -2.199 -7.612 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.317 -2.209 -6.202 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.785 0.199 -5.800 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.760 0.206 -7.222 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.680 -0.340 -8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.723 -0.484 -7.256 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.046 1.695 -8.332 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.388 1.904 -6.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.387 3.283 -8.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.290 2.445 -7.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.650 1.860 -9.121 1.00 0.00 H new ATOM 502 N GLY A 34 0.092 -0.339 -4.198 1.00 0.00 N ATOM 503 CA GLY A 34 -0.032 0.329 -2.948 1.00 0.00 C ATOM 504 C GLY A 34 -0.392 1.773 -3.155 1.00 0.00 C ATOM 505 O GLY A 34 0.223 2.446 -3.986 1.00 0.00 O ATOM 0 H GLY A 34 0.536 0.211 -4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.796 -0.159 -2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.905 0.257 -2.396 1.00 0.00 H new ATOM 509 N GLU A 35 -1.393 2.245 -2.446 1.00 0.00 N ATOM 510 CA GLU A 35 -1.786 3.644 -2.534 1.00 0.00 C ATOM 511 C GLU A 35 -1.659 4.325 -1.196 1.00 0.00 C ATOM 512 O GLU A 35 -1.929 3.728 -0.153 1.00 0.00 O ATOM 513 CB GLU A 35 -3.188 3.844 -3.097 1.00 0.00 C ATOM 514 CG GLU A 35 -3.343 3.401 -4.537 1.00 0.00 C ATOM 515 CD GLU A 35 -4.646 3.849 -5.133 1.00 0.00 C ATOM 516 OE1 GLU A 35 -4.637 4.822 -5.924 1.00 0.00 O ATOM 517 OE2 GLU A 35 -5.696 3.254 -4.830 1.00 0.00 O ATOM 0 H GLU A 35 -1.952 1.686 -1.802 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.096 4.105 -3.241 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.898 3.293 -2.480 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.451 4.899 -3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.519 3.800 -5.128 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.276 2.314 -4.590 1.00 0.00 H new ATOM 524 N CYS A 36 -1.272 5.562 -1.229 1.00 0.00 N ATOM 525 CA CYS A 36 -1.014 6.312 -0.031 1.00 0.00 C ATOM 526 C CYS A 36 -2.171 7.212 0.317 1.00 0.00 C ATOM 527 O CYS A 36 -2.510 8.118 -0.439 1.00 0.00 O ATOM 528 CB CYS A 36 0.228 7.141 -0.239 1.00 0.00 C ATOM 529 SG CYS A 36 1.658 6.151 -0.733 1.00 0.00 S ATOM 0 H CYS A 36 -1.124 6.087 -2.091 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.876 5.615 0.795 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.033 7.894 -1.002 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.462 7.674 0.683 1.00 0.00 H new ATOM 534 N GLU A 37 -2.770 6.974 1.452 1.00 0.00 N ATOM 535 CA GLU A 37 -3.859 7.794 1.908 1.00 0.00 C ATOM 536 C GLU A 37 -3.482 8.553 3.142 1.00 0.00 C ATOM 537 O GLU A 37 -3.357 7.978 4.227 1.00 0.00 O ATOM 538 CB GLU A 37 -5.116 6.975 2.154 1.00 0.00 C ATOM 539 CG GLU A 37 -5.740 6.429 0.892 1.00 0.00 C ATOM 540 CD GLU A 37 -6.317 7.497 -0.021 1.00 0.00 C ATOM 541 OE1 GLU A 37 -7.002 7.132 -0.987 1.00 0.00 O ATOM 542 OE2 GLU A 37 -6.129 8.727 0.224 1.00 0.00 O ATOM 0 H GLU A 37 -2.520 6.212 2.083 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.076 8.509 1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.874 6.145 2.818 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.848 7.595 2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.988 5.862 0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.531 5.730 1.163 1.00 0.00 H new ATOM 549 N TYR A 38 -3.255 9.822 2.975 1.00 0.00 N ATOM 550 CA TYR A 38 -2.951 10.683 4.077 1.00 0.00 C ATOM 551 C TYR A 38 -4.242 11.071 4.749 1.00 0.00 C ATOM 552 O TYR A 38 -4.979 11.931 4.268 1.00 0.00 O ATOM 553 CB TYR A 38 -2.161 11.918 3.620 1.00 0.00 C ATOM 554 CG TYR A 38 -0.742 11.615 3.171 1.00 0.00 C ATOM 555 CD1 TYR A 38 -0.441 11.276 1.856 1.00 0.00 C ATOM 556 CD2 TYR A 38 0.295 11.659 4.079 1.00 0.00 C ATOM 557 CE1 TYR A 38 0.860 10.990 1.476 1.00 0.00 C ATOM 558 CE2 TYR A 38 1.591 11.379 3.711 1.00 0.00 C ATOM 559 CZ TYR A 38 1.871 11.047 2.415 1.00 0.00 C ATOM 560 OH TYR A 38 3.162 10.750 2.060 1.00 0.00 O ATOM 0 H TYR A 38 -3.276 10.289 2.069 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.315 10.156 4.789 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.696 12.395 2.799 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.126 12.637 4.438 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.232 11.235 1.122 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.084 11.920 5.106 1.00 0.00 H new ATOM 0 HE1 TYR A 38 1.082 10.724 0.453 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.384 11.421 4.443 1.00 0.00 H new ATOM 0 HH TYR A 38 3.163 10.251 1.217 1.00 0.00 H new ATOM 570 N HIS A 39 -4.530 10.402 5.821 1.00 0.00 N ATOM 571 CA HIS A 39 -5.755 10.588 6.539 1.00 0.00 C ATOM 572 C HIS A 39 -5.428 11.057 7.934 1.00 0.00 C ATOM 573 O HIS A 39 -4.934 10.285 8.759 1.00 0.00 O ATOM 574 CB HIS A 39 -6.559 9.266 6.563 1.00 0.00 C ATOM 575 CG HIS A 39 -7.882 9.346 7.277 1.00 0.00 C ATOM 576 ND1 HIS A 39 -8.244 8.531 8.330 1.00 0.00 N ATOM 577 CD2 HIS A 39 -8.946 10.151 7.053 1.00 0.00 C ATOM 578 CE1 HIS A 39 -9.479 8.857 8.705 1.00 0.00 C ATOM 579 NE2 HIS A 39 -9.954 9.839 7.963 1.00 0.00 N ATOM 0 H HIS A 39 -3.912 9.700 6.229 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.373 11.340 6.048 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.735 8.945 5.536 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.951 8.496 7.038 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.005 10.914 6.291 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.020 8.381 9.509 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -10.871 10.279 8.040 1.00 0.00 H new ATOM 587 N GLY A 40 -5.650 12.317 8.173 1.00 0.00 N ATOM 588 CA GLY A 40 -5.361 12.886 9.452 1.00 0.00 C ATOM 589 C GLY A 40 -3.881 13.119 9.617 1.00 0.00 C ATOM 590 O GLY A 40 -3.244 13.773 8.776 1.00 0.00 O ATOM 0 H GLY A 40 -6.033 12.972 7.492 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.896 13.829 9.564 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.718 12.222 10.239 1.00 0.00 H new ATOM 594 N ARG A 41 -3.320 12.555 10.647 1.00 0.00 N ATOM 595 CA ARG A 41 -1.908 12.731 10.945 1.00 0.00 C ATOM 596 C ARG A 41 -1.103 11.653 10.234 1.00 0.00 C ATOM 597 O ARG A 41 0.034 11.881 9.807 1.00 0.00 O ATOM 598 CB ARG A 41 -1.660 12.561 12.430 1.00 0.00 C ATOM 599 CG ARG A 41 -2.600 13.309 13.351 1.00 0.00 C ATOM 600 CD ARG A 41 -2.336 12.914 14.789 1.00 0.00 C ATOM 601 NE ARG A 41 -2.322 11.450 14.938 1.00 0.00 N ATOM 602 CZ ARG A 41 -2.166 10.774 16.065 1.00 0.00 C ATOM 603 NH1 ARG A 41 -2.068 11.405 17.233 1.00 0.00 N ATOM 604 NH2 ARG A 41 -2.085 9.462 16.005 1.00 0.00 N ATOM 0 H ARG A 41 -3.817 11.960 11.309 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.613 13.728 10.619 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.719 11.499 12.668 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.641 12.881 12.647 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.464 14.384 13.229 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.634 13.087 13.088 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.380 13.326 15.114 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.103 13.342 15.434 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.445 10.901 14.087 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.113 12.423 17.268 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.948 10.870 18.093 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.143 8.988 15.104 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.965 8.919 16.860 1.00 0.00 H new ATOM 618 N GLU A 42 -1.711 10.491 10.104 1.00 0.00 N ATOM 619 CA GLU A 42 -1.059 9.307 9.564 1.00 0.00 C ATOM 620 C GLU A 42 -1.345 9.115 8.087 1.00 0.00 C ATOM 621 O GLU A 42 -2.243 9.749 7.517 1.00 0.00 O ATOM 622 CB GLU A 42 -1.489 8.036 10.332 1.00 0.00 C ATOM 623 CG GLU A 42 -0.835 7.823 11.701 1.00 0.00 C ATOM 624 CD GLU A 42 -1.051 8.938 12.678 1.00 0.00 C ATOM 625 OE1 GLU A 42 -0.163 9.793 12.815 1.00 0.00 O ATOM 626 OE2 GLU A 42 -2.127 8.986 13.324 1.00 0.00 O ATOM 0 H GLU A 42 -2.683 10.337 10.372 1.00 0.00 H new ATOM 0 HA GLU A 42 0.012 9.465 9.688 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.570 8.067 10.469 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.271 7.168 9.709 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.221 6.900 12.133 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.237 7.685 11.559 1.00 0.00 H new ATOM 633 N VAL A 43 -0.569 8.266 7.472 1.00 0.00 N ATOM 634 CA VAL A 43 -0.782 7.884 6.108 1.00 0.00 C ATOM 635 C VAL A 43 -0.907 6.379 6.034 1.00 0.00 C ATOM 636 O VAL A 43 -0.101 5.637 6.617 1.00 0.00 O ATOM 637 CB VAL A 43 0.311 8.420 5.129 1.00 0.00 C ATOM 638 CG1 VAL A 43 1.696 7.995 5.540 1.00 0.00 C ATOM 639 CG2 VAL A 43 0.035 7.971 3.698 1.00 0.00 C ATOM 0 H VAL A 43 0.236 7.817 7.909 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.708 8.351 5.773 1.00 0.00 H new ATOM 0 HB VAL A 43 0.265 9.508 5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.423 8.390 4.831 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.914 8.380 6.536 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.754 6.907 5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.812 8.359 3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.031 6.882 3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.935 8.351 3.378 1.00 0.00 H new ATOM 649 N HIS A 44 -1.931 5.942 5.382 1.00 0.00 N ATOM 650 CA HIS A 44 -2.226 4.550 5.257 1.00 0.00 C ATOM 651 C HIS A 44 -1.789 4.091 3.896 1.00 0.00 C ATOM 652 O HIS A 44 -2.246 4.616 2.881 1.00 0.00 O ATOM 653 CB HIS A 44 -3.740 4.288 5.438 1.00 0.00 C ATOM 654 CG HIS A 44 -4.310 4.749 6.758 1.00 0.00 C ATOM 655 ND1 HIS A 44 -5.001 3.942 7.632 1.00 0.00 N ATOM 656 CD2 HIS A 44 -4.307 5.982 7.317 1.00 0.00 C ATOM 657 CE1 HIS A 44 -5.392 4.696 8.671 1.00 0.00 C ATOM 658 NE2 HIS A 44 -4.993 5.951 8.524 1.00 0.00 N ATOM 0 H HIS A 44 -2.600 6.551 4.911 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.695 3.998 6.033 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.279 4.786 4.632 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.924 3.219 5.332 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -5.184 2.946 7.511 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.841 6.857 6.889 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.957 4.329 9.515 1.00 0.00 H new ATOM 666 N CYS A 45 -0.866 3.201 3.882 1.00 0.00 N ATOM 667 CA CYS A 45 -0.401 2.586 2.662 1.00 0.00 C ATOM 668 C CYS A 45 -1.288 1.383 2.406 1.00 0.00 C ATOM 669 O CYS A 45 -1.226 0.380 3.131 1.00 0.00 O ATOM 670 CB CYS A 45 1.083 2.196 2.818 1.00 0.00 C ATOM 671 SG CYS A 45 1.863 1.260 1.457 1.00 0.00 S ATOM 0 H CYS A 45 -0.396 2.864 4.722 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.461 3.264 1.811 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.656 3.111 2.967 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.181 1.606 3.730 1.00 0.00 H new ATOM 676 N HIS A 46 -2.189 1.534 1.463 1.00 0.00 N ATOM 677 CA HIS A 46 -3.142 0.507 1.138 1.00 0.00 C ATOM 678 C HIS A 46 -2.532 -0.478 0.198 1.00 0.00 C ATOM 679 O HIS A 46 -2.254 -0.153 -0.955 1.00 0.00 O ATOM 680 CB HIS A 46 -4.419 1.098 0.520 1.00 0.00 C ATOM 681 CG HIS A 46 -5.232 1.944 1.453 1.00 0.00 C ATOM 682 ND1 HIS A 46 -6.226 2.797 1.039 1.00 0.00 N ATOM 683 CD2 HIS A 46 -5.218 2.015 2.809 1.00 0.00 C ATOM 684 CE1 HIS A 46 -6.781 3.346 2.125 1.00 0.00 C ATOM 685 NE2 HIS A 46 -6.202 2.904 3.231 1.00 0.00 N ATOM 0 H HIS A 46 -2.279 2.379 0.899 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.418 0.003 2.064 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.143 1.699 -0.346 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.042 0.281 0.156 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.549 1.468 3.457 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.594 4.056 2.103 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.430 3.161 4.191 1.00 0.00 H new ATOM 693 N CYS A 47 -2.312 -1.655 0.690 1.00 0.00 N ATOM 694 CA CYS A 47 -1.724 -2.706 -0.083 1.00 0.00 C ATOM 695 C CYS A 47 -2.799 -3.485 -0.805 1.00 0.00 C ATOM 696 O CYS A 47 -3.623 -4.148 -0.179 1.00 0.00 O ATOM 697 CB CYS A 47 -0.929 -3.627 0.830 1.00 0.00 C ATOM 698 SG CYS A 47 0.375 -2.777 1.767 1.00 0.00 S ATOM 0 H CYS A 47 -2.537 -1.918 1.649 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.053 -2.273 -0.825 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -1.612 -4.109 1.530 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.477 -4.417 0.230 1.00 0.00 H new ATOM 703 N TYR A 48 -2.809 -3.381 -2.101 1.00 0.00 N ATOM 704 CA TYR A 48 -3.753 -4.081 -2.934 1.00 0.00 C ATOM 705 C TYR A 48 -3.051 -5.261 -3.561 1.00 0.00 C ATOM 706 O TYR A 48 -1.843 -5.193 -3.836 1.00 0.00 O ATOM 707 CB TYR A 48 -4.249 -3.194 -4.071 1.00 0.00 C ATOM 708 CG TYR A 48 -4.910 -1.894 -3.685 1.00 0.00 C ATOM 709 CD1 TYR A 48 -4.162 -0.747 -3.512 1.00 0.00 C ATOM 710 CD2 TYR A 48 -6.284 -1.802 -3.544 1.00 0.00 C ATOM 711 CE1 TYR A 48 -4.758 0.448 -3.215 1.00 0.00 C ATOM 712 CE2 TYR A 48 -6.890 -0.605 -3.236 1.00 0.00 C ATOM 713 CZ TYR A 48 -6.119 0.518 -3.077 1.00 0.00 C ATOM 714 OH TYR A 48 -6.708 1.722 -2.804 1.00 0.00 O ATOM 0 H TYR A 48 -2.153 -2.799 -2.621 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.597 -4.385 -2.315 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.401 -2.965 -4.717 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -4.957 -3.770 -4.667 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.088 -0.794 -3.613 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.891 -2.685 -3.678 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.156 1.336 -3.089 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.962 -0.551 -3.121 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.400 2.391 -3.451 1.00 0.00 H new ATOM 724 N GLY A 49 -3.776 -6.308 -3.793 1.00 0.00 N ATOM 725 CA GLY A 49 -3.241 -7.478 -4.424 1.00 0.00 C ATOM 726 C GLY A 49 -4.331 -8.472 -4.671 1.00 0.00 C ATOM 727 O GLY A 49 -5.477 -8.080 -4.882 1.00 0.00 O ATOM 0 H GLY A 49 -4.764 -6.379 -3.549 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.765 -7.207 -5.366 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.470 -7.921 -3.793 1.00 0.00 H new ATOM 731 N ASP A 50 -3.990 -9.730 -4.629 1.00 0.00 N ATOM 732 CA ASP A 50 -4.944 -10.820 -4.804 1.00 0.00 C ATOM 733 C ASP A 50 -4.587 -11.874 -3.811 1.00 0.00 C ATOM 734 O ASP A 50 -3.407 -12.080 -3.544 1.00 0.00 O ATOM 735 CB ASP A 50 -4.881 -11.446 -6.209 1.00 0.00 C ATOM 736 CG ASP A 50 -5.307 -10.540 -7.338 1.00 0.00 C ATOM 737 OD1 ASP A 50 -6.515 -10.265 -7.479 1.00 0.00 O ATOM 738 OD2 ASP A 50 -4.440 -10.140 -8.150 1.00 0.00 O ATOM 0 H ASP A 50 -3.033 -10.044 -4.471 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.951 -10.425 -4.667 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.859 -11.777 -6.396 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.511 -12.335 -6.221 1.00 0.00 H new ATOM 743 N TYR A 51 -5.550 -12.566 -3.275 1.00 0.00 N ATOM 744 CA TYR A 51 -5.250 -13.536 -2.262 1.00 0.00 C ATOM 745 C TYR A 51 -5.811 -14.887 -2.642 1.00 0.00 C ATOM 746 O TYR A 51 -6.641 -14.997 -3.554 1.00 0.00 O ATOM 747 CB TYR A 51 -5.764 -13.086 -0.876 1.00 0.00 C ATOM 748 CG TYR A 51 -7.272 -13.147 -0.677 1.00 0.00 C ATOM 749 CD1 TYR A 51 -7.834 -14.124 0.136 1.00 0.00 C ATOM 750 CD2 TYR A 51 -8.123 -12.240 -1.284 1.00 0.00 C ATOM 751 CE1 TYR A 51 -9.191 -14.190 0.338 1.00 0.00 C ATOM 752 CE2 TYR A 51 -9.485 -12.305 -1.088 1.00 0.00 C ATOM 753 CZ TYR A 51 -10.011 -13.278 -0.275 1.00 0.00 C ATOM 754 OH TYR A 51 -11.362 -13.335 -0.070 1.00 0.00 O ATOM 0 H TYR A 51 -6.537 -12.479 -3.518 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.166 -13.623 -2.190 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.291 -13.706 -0.115 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.435 -12.062 -0.702 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.191 -14.845 0.618 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.713 -11.470 -1.921 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.609 -14.955 0.975 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -10.137 -11.593 -1.572 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.800 -12.618 -0.575 1.00 0.00 H new ATOM 764 N HIS A 52 -5.364 -15.887 -1.963 1.00 0.00 N ATOM 765 CA HIS A 52 -5.787 -17.243 -2.177 1.00 0.00 C ATOM 766 C HIS A 52 -5.864 -17.929 -0.860 1.00 0.00 C ATOM 767 O HIS A 52 -6.960 -18.338 -0.453 1.00 0.00 O ATOM 768 CB HIS A 52 -4.864 -18.024 -3.128 1.00 0.00 C ATOM 769 CG HIS A 52 -5.016 -17.683 -4.572 1.00 0.00 C ATOM 770 ND1 HIS A 52 -6.112 -18.039 -5.324 1.00 0.00 N ATOM 771 CD2 HIS A 52 -4.185 -17.026 -5.411 1.00 0.00 C ATOM 772 CE1 HIS A 52 -5.928 -17.609 -6.565 1.00 0.00 C ATOM 773 NE2 HIS A 52 -4.764 -16.983 -6.678 1.00 0.00 N ATOM 774 OXT HIS A 52 -4.835 -17.998 -0.177 1.00 0.00 O ATOM 0 H HIS A 52 -4.673 -15.789 -1.219 1.00 0.00 H new ATOM 0 HA HIS A 52 -6.764 -17.214 -2.660 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.830 -17.846 -2.835 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -5.052 -19.090 -3.000 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -3.228 -16.603 -5.143 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -6.630 -17.749 -7.373 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -4.373 -16.558 -7.519 1.00 0.00 H new TER 782 HIS A 52