USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 264 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 181 ZNZN :(H bumps) USER MOD NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -11:sc= 0.733 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 22:sc= 0.304 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= -0.157 (180deg=-0.764) USER MOD Single : A 14 GLN : amide:sc= -0.143 K(o=-0.14,f=-2.3!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 124:sc= -0.89 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 26 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.2!) USER MOD Single : A 31 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.232) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 161:sc= -0.0579 (180deg=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.849 -14.703 7.005 1.00 0.00 N ATOM 2 CA GLY A 1 9.996 -13.381 6.424 1.00 0.00 C ATOM 3 C GLY A 1 8.666 -12.767 6.036 1.00 0.00 C ATOM 4 O GLY A 1 8.260 -11.747 6.593 1.00 0.00 O ATOM 0 H1 GLY A 1 10.786 -15.079 7.253 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.262 -14.642 7.862 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.393 -15.336 6.317 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.500 -12.728 7.137 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.635 -13.444 5.543 1.00 0.00 H new ATOM 8 N SER A 2 7.986 -13.387 5.077 1.00 0.00 N ATOM 9 CA SER A 2 6.696 -12.891 4.612 1.00 0.00 C ATOM 10 C SER A 2 5.902 -14.001 3.930 1.00 0.00 C ATOM 11 O SER A 2 6.406 -14.683 3.037 1.00 0.00 O ATOM 12 CB SER A 2 6.894 -11.722 3.645 1.00 0.00 C ATOM 13 OG SER A 2 7.547 -10.638 4.283 1.00 0.00 O ATOM 0 H SER A 2 8.307 -14.233 4.607 1.00 0.00 H new ATOM 0 HA SER A 2 6.133 -12.545 5.479 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.481 -12.051 2.787 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.927 -11.394 3.263 1.00 0.00 H new ATOM 0 HG SER A 2 7.579 -10.799 5.249 1.00 0.00 H new ATOM 19 N SER A 3 4.655 -14.176 4.357 1.00 0.00 N ATOM 20 CA SER A 3 3.791 -15.206 3.791 1.00 0.00 C ATOM 21 C SER A 3 2.439 -14.621 3.392 1.00 0.00 C ATOM 22 O SER A 3 1.931 -14.888 2.304 1.00 0.00 O ATOM 23 CB SER A 3 3.591 -16.342 4.795 1.00 0.00 C ATOM 24 OG SER A 3 4.745 -17.162 4.873 1.00 0.00 O ATOM 0 H SER A 3 4.221 -13.618 5.092 1.00 0.00 H new ATOM 0 HA SER A 3 4.275 -15.601 2.898 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.368 -15.928 5.778 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.732 -16.945 4.501 1.00 0.00 H new ATOM 0 HG SER A 3 4.593 -17.880 5.523 1.00 0.00 H new ATOM 30 N GLY A 4 1.862 -13.820 4.283 1.00 0.00 N ATOM 31 CA GLY A 4 0.575 -13.210 4.007 1.00 0.00 C ATOM 32 C GLY A 4 -0.353 -14.133 3.243 1.00 0.00 C ATOM 33 O GLY A 4 -0.317 -15.350 3.425 1.00 0.00 O ATOM 0 H GLY A 4 2.263 -13.583 5.190 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.104 -12.923 4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.726 -12.295 3.433 1.00 0.00 H new ATOM 37 N SER A 5 -1.188 -13.554 2.386 1.00 0.00 N ATOM 38 CA SER A 5 -2.134 -14.333 1.595 1.00 0.00 C ATOM 39 C SER A 5 -2.443 -13.635 0.274 1.00 0.00 C ATOM 40 O SER A 5 -1.985 -12.519 0.028 1.00 0.00 O ATOM 41 CB SER A 5 -3.427 -14.556 2.382 1.00 0.00 C ATOM 42 OG SER A 5 -3.303 -15.657 3.266 1.00 0.00 O ATOM 0 H SER A 5 -1.229 -12.548 2.222 1.00 0.00 H new ATOM 0 HA SER A 5 -1.678 -15.299 1.377 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.672 -13.657 2.948 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.251 -14.732 1.691 1.00 0.00 H new ATOM 0 HG SER A 5 -2.355 -15.819 3.456 1.00 0.00 H new ATOM 48 N SER A 6 -3.223 -14.300 -0.571 1.00 0.00 N ATOM 49 CA SER A 6 -3.591 -13.746 -1.869 1.00 0.00 C ATOM 50 C SER A 6 -5.090 -13.886 -2.114 1.00 0.00 C ATOM 51 O SER A 6 -5.634 -14.989 -2.086 1.00 0.00 O ATOM 52 CB SER A 6 -2.812 -14.446 -2.985 1.00 0.00 C ATOM 53 OG SER A 6 -3.204 -13.965 -4.259 1.00 0.00 O ATOM 0 H SER A 6 -3.613 -15.223 -0.381 1.00 0.00 H new ATOM 0 HA SER A 6 -3.338 -12.686 -1.869 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.743 -14.283 -2.844 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.980 -15.522 -2.931 1.00 0.00 H new ATOM 0 HG SER A 6 -2.691 -14.426 -4.955 1.00 0.00 H new ATOM 59 N GLY A 7 -5.752 -12.759 -2.355 1.00 0.00 N ATOM 60 CA GLY A 7 -7.182 -12.776 -2.602 1.00 0.00 C ATOM 61 C GLY A 7 -7.655 -11.550 -3.357 1.00 0.00 C ATOM 62 O GLY A 7 -8.288 -11.664 -4.407 1.00 0.00 O ATOM 0 H GLY A 7 -5.323 -11.834 -2.384 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.439 -13.670 -3.170 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.711 -12.840 -1.651 1.00 0.00 H new ATOM 66 N LYS A 8 -7.350 -10.373 -2.822 1.00 0.00 N ATOM 67 CA LYS A 8 -7.748 -9.120 -3.452 1.00 0.00 C ATOM 68 C LYS A 8 -7.484 -9.157 -4.954 1.00 0.00 C ATOM 69 O LYS A 8 -6.483 -9.703 -5.419 1.00 0.00 O ATOM 70 CB LYS A 8 -6.994 -7.946 -2.821 1.00 0.00 C ATOM 71 CG LYS A 8 -7.633 -7.431 -1.543 1.00 0.00 C ATOM 72 CD LYS A 8 -7.087 -8.145 -0.318 1.00 0.00 C ATOM 73 CE LYS A 8 -7.782 -7.683 0.953 1.00 0.00 C ATOM 74 NZ LYS A 8 -7.084 -6.526 1.578 1.00 0.00 N ATOM 0 H LYS A 8 -6.828 -10.261 -1.953 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.818 -8.987 -3.292 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.971 -8.255 -2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.937 -7.131 -3.543 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.453 -6.360 -1.451 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.713 -7.569 -1.594 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.217 -9.221 -0.435 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.016 -7.961 -0.236 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.811 -7.406 0.724 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.825 -8.508 1.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.589 -6.241 2.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.110 -6.798 1.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.065 -5.730 0.909 1.00 0.00 H new ATOM 88 N PRO A 9 -8.401 -8.563 -5.732 1.00 0.00 N ATOM 89 CA PRO A 9 -8.288 -8.514 -7.192 1.00 0.00 C ATOM 90 C PRO A 9 -7.159 -7.599 -7.656 1.00 0.00 C ATOM 91 O PRO A 9 -6.318 -7.995 -8.463 1.00 0.00 O ATOM 92 CB PRO A 9 -9.644 -7.957 -7.634 1.00 0.00 C ATOM 93 CG PRO A 9 -10.133 -7.177 -6.463 1.00 0.00 C ATOM 94 CD PRO A 9 -9.619 -7.893 -5.245 1.00 0.00 C ATOM 0 HA PRO A 9 -8.054 -9.491 -7.616 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.544 -7.325 -8.517 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.336 -8.759 -7.893 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.766 -6.151 -6.497 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.222 -7.126 -6.455 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.399 -7.199 -4.434 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.346 -8.609 -4.863 1.00 0.00 H new ATOM 102 N TYR A 10 -7.147 -6.375 -7.141 1.00 0.00 N ATOM 103 CA TYR A 10 -6.122 -5.403 -7.504 1.00 0.00 C ATOM 104 C TYR A 10 -4.754 -5.835 -6.985 1.00 0.00 C ATOM 105 O TYR A 10 -4.593 -6.145 -5.805 1.00 0.00 O ATOM 106 CB TYR A 10 -6.478 -4.024 -6.948 1.00 0.00 C ATOM 107 CG TYR A 10 -7.874 -3.567 -7.309 1.00 0.00 C ATOM 108 CD1 TYR A 10 -8.971 -3.956 -6.550 1.00 0.00 C ATOM 109 CD2 TYR A 10 -8.095 -2.746 -8.407 1.00 0.00 C ATOM 110 CE1 TYR A 10 -10.248 -3.542 -6.877 1.00 0.00 C ATOM 111 CE2 TYR A 10 -9.368 -2.326 -8.741 1.00 0.00 C ATOM 112 CZ TYR A 10 -10.441 -2.727 -7.972 1.00 0.00 C ATOM 113 OH TYR A 10 -11.712 -2.311 -8.300 1.00 0.00 O ATOM 0 H TYR A 10 -7.835 -6.032 -6.471 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.078 -5.349 -8.592 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -6.380 -4.043 -5.863 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.758 -3.295 -7.320 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.823 -4.593 -5.690 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.257 -2.430 -9.010 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -11.090 -3.855 -6.278 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.522 -1.688 -9.599 1.00 0.00 H new ATOM 0 HH TYR A 10 -11.674 -1.742 -9.097 1.00 0.00 H new ATOM 123 N LYS A 11 -3.769 -5.853 -7.877 1.00 0.00 N ATOM 124 CA LYS A 11 -2.413 -6.244 -7.513 1.00 0.00 C ATOM 125 C LYS A 11 -1.429 -5.109 -7.778 1.00 0.00 C ATOM 126 O LYS A 11 -1.631 -4.298 -8.683 1.00 0.00 O ATOM 127 CB LYS A 11 -1.992 -7.491 -8.294 1.00 0.00 C ATOM 128 CG LYS A 11 -2.316 -8.793 -7.581 1.00 0.00 C ATOM 129 CD LYS A 11 -3.813 -9.049 -7.540 1.00 0.00 C ATOM 130 CE LYS A 11 -4.277 -9.838 -8.755 1.00 0.00 C ATOM 131 NZ LYS A 11 -3.636 -11.181 -8.821 1.00 0.00 N ATOM 0 H LYS A 11 -3.885 -5.601 -8.858 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.401 -6.470 -6.447 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.487 -7.485 -9.265 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.919 -7.447 -8.482 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.818 -9.620 -8.088 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.924 -8.760 -6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.065 -9.596 -6.632 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.345 -8.098 -7.497 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.360 -9.954 -8.721 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.044 -9.279 -9.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.235 -11.824 -9.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.703 -11.099 -9.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.522 -11.559 -7.859 1.00 0.00 H new ATOM 145 N CYS A 12 -0.363 -5.058 -6.986 1.00 0.00 N ATOM 146 CA CYS A 12 0.653 -4.024 -7.136 1.00 0.00 C ATOM 147 C CYS A 12 1.670 -4.411 -8.207 1.00 0.00 C ATOM 148 O CYS A 12 2.224 -5.510 -8.203 1.00 0.00 O ATOM 149 CB CYS A 12 1.366 -3.782 -5.804 1.00 0.00 C ATOM 150 SG CYS A 12 2.549 -2.398 -5.834 1.00 0.00 S ATOM 0 H CYS A 12 -0.181 -5.722 -6.233 1.00 0.00 H new ATOM 0 HA CYS A 12 0.156 -3.105 -7.447 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.619 -3.590 -5.034 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.894 -4.691 -5.517 1.00 0.00 H new ATOM 155 N PRO A 13 1.921 -3.487 -9.146 1.00 0.00 N ATOM 156 CA PRO A 13 2.872 -3.708 -10.239 1.00 0.00 C ATOM 157 C PRO A 13 4.316 -3.747 -9.752 1.00 0.00 C ATOM 158 O PRO A 13 5.215 -4.165 -10.481 1.00 0.00 O ATOM 159 CB PRO A 13 2.648 -2.500 -11.153 1.00 0.00 C ATOM 160 CG PRO A 13 2.109 -1.440 -10.255 1.00 0.00 C ATOM 161 CD PRO A 13 1.296 -2.155 -9.212 1.00 0.00 C ATOM 0 HA PRO A 13 2.712 -4.668 -10.731 1.00 0.00 H new ATOM 0 HB2 PRO A 13 3.578 -2.183 -11.626 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.947 -2.734 -11.954 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.917 -0.869 -9.797 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.494 -0.732 -10.812 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.337 -1.644 -8.250 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.245 -2.218 -9.495 1.00 0.00 H new ATOM 169 N GLN A 14 4.531 -3.308 -8.516 1.00 0.00 N ATOM 170 CA GLN A 14 5.867 -3.294 -7.933 1.00 0.00 C ATOM 171 C GLN A 14 6.091 -4.520 -7.054 1.00 0.00 C ATOM 172 O GLN A 14 6.942 -5.360 -7.348 1.00 0.00 O ATOM 173 CB GLN A 14 6.074 -2.019 -7.112 1.00 0.00 C ATOM 174 CG GLN A 14 5.806 -0.743 -7.893 1.00 0.00 C ATOM 175 CD GLN A 14 7.045 -0.212 -8.588 1.00 0.00 C ATOM 176 OE1 GLN A 14 8.162 -0.650 -8.310 1.00 0.00 O ATOM 177 NE2 GLN A 14 6.853 0.736 -9.497 1.00 0.00 N ATOM 0 H GLN A 14 3.798 -2.958 -7.900 1.00 0.00 H new ATOM 0 HA GLN A 14 6.591 -3.316 -8.747 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.419 -2.047 -6.241 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.098 -1.999 -6.739 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.031 -0.932 -8.635 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.420 0.019 -7.216 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.909 1.069 -9.695 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.649 1.132 -9.997 1.00 0.00 H new ATOM 186 N CYS A 15 5.323 -4.617 -5.974 1.00 0.00 N ATOM 187 CA CYS A 15 5.438 -5.740 -5.052 1.00 0.00 C ATOM 188 C CYS A 15 4.211 -6.643 -5.139 1.00 0.00 C ATOM 189 O CYS A 15 3.333 -6.436 -5.977 1.00 0.00 O ATOM 190 CB CYS A 15 5.611 -5.233 -3.618 1.00 0.00 C ATOM 191 SG CYS A 15 4.108 -4.491 -2.905 1.00 0.00 S ATOM 0 H CYS A 15 4.614 -3.931 -5.716 1.00 0.00 H new ATOM 0 HA CYS A 15 6.316 -6.321 -5.334 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.928 -6.063 -2.986 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.412 -4.494 -3.599 1.00 0.00 H new ATOM 196 N SER A 16 4.157 -7.644 -4.267 1.00 0.00 N ATOM 197 CA SER A 16 3.040 -8.582 -4.248 1.00 0.00 C ATOM 198 C SER A 16 1.881 -8.028 -3.424 1.00 0.00 C ATOM 199 O SER A 16 1.085 -8.784 -2.865 1.00 0.00 O ATOM 200 CB SER A 16 3.487 -9.929 -3.678 1.00 0.00 C ATOM 201 OG SER A 16 4.488 -10.519 -4.490 1.00 0.00 O ATOM 0 H SER A 16 4.873 -7.827 -3.564 1.00 0.00 H new ATOM 0 HA SER A 16 2.700 -8.725 -5.274 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.869 -9.791 -2.667 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.631 -10.599 -3.606 1.00 0.00 H new ATOM 0 HG SER A 16 4.758 -11.378 -4.104 1.00 0.00 H new ATOM 207 N TYR A 17 1.792 -6.705 -3.355 1.00 0.00 N ATOM 208 CA TYR A 17 0.732 -6.048 -2.598 1.00 0.00 C ATOM 209 C TYR A 17 -0.551 -5.963 -3.419 1.00 0.00 C ATOM 210 O TYR A 17 -0.553 -5.446 -4.536 1.00 0.00 O ATOM 211 CB TYR A 17 1.173 -4.646 -2.174 1.00 0.00 C ATOM 212 CG TYR A 17 0.065 -3.825 -1.555 1.00 0.00 C ATOM 213 CD1 TYR A 17 -0.906 -3.225 -2.347 1.00 0.00 C ATOM 214 CD2 TYR A 17 -0.011 -3.647 -0.179 1.00 0.00 C ATOM 215 CE1 TYR A 17 -1.921 -2.472 -1.787 1.00 0.00 C ATOM 216 CE2 TYR A 17 -1.022 -2.898 0.390 1.00 0.00 C ATOM 217 CZ TYR A 17 -1.974 -2.312 -0.418 1.00 0.00 C ATOM 218 OH TYR A 17 -2.982 -1.564 0.145 1.00 0.00 O ATOM 0 H TYR A 17 2.441 -6.066 -3.814 1.00 0.00 H new ATOM 0 HA TYR A 17 0.533 -6.644 -1.707 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.992 -4.732 -1.460 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.563 -4.118 -3.044 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.867 -3.349 -3.419 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.734 -4.103 0.457 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.668 -2.012 -2.417 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.067 -2.772 1.462 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.875 -1.552 1.119 1.00 0.00 H new ATOM 228 N ALA A 18 -1.641 -6.475 -2.856 1.00 0.00 N ATOM 229 CA ALA A 18 -2.931 -6.455 -3.533 1.00 0.00 C ATOM 230 C ALA A 18 -4.018 -5.887 -2.627 1.00 0.00 C ATOM 231 O ALA A 18 -4.152 -6.293 -1.473 1.00 0.00 O ATOM 232 CB ALA A 18 -3.306 -7.855 -3.996 1.00 0.00 C ATOM 0 H ALA A 18 -1.656 -6.909 -1.933 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.846 -5.806 -4.405 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.272 -7.825 -4.500 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.548 -8.225 -4.686 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.367 -8.519 -3.134 1.00 0.00 H new ATOM 238 N SER A 19 -4.792 -4.945 -3.157 1.00 0.00 N ATOM 239 CA SER A 19 -5.864 -4.317 -2.393 1.00 0.00 C ATOM 240 C SER A 19 -7.225 -4.637 -3.005 1.00 0.00 C ATOM 241 O SER A 19 -7.316 -5.060 -4.157 1.00 0.00 O ATOM 242 CB SER A 19 -5.660 -2.802 -2.337 1.00 0.00 C ATOM 243 OG SER A 19 -5.350 -2.282 -3.618 1.00 0.00 O ATOM 0 H SER A 19 -4.697 -4.600 -4.112 1.00 0.00 H new ATOM 0 HA SER A 19 -5.837 -4.717 -1.379 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.562 -2.324 -1.956 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.856 -2.566 -1.641 1.00 0.00 H new ATOM 0 HG SER A 19 -5.998 -1.586 -3.854 1.00 0.00 H new ATOM 249 N ALA A 20 -8.281 -4.431 -2.224 1.00 0.00 N ATOM 250 CA ALA A 20 -9.637 -4.694 -2.689 1.00 0.00 C ATOM 251 C ALA A 20 -10.228 -3.470 -3.380 1.00 0.00 C ATOM 252 O ALA A 20 -11.240 -3.567 -4.076 1.00 0.00 O ATOM 253 CB ALA A 20 -10.519 -5.123 -1.525 1.00 0.00 C ATOM 0 H ALA A 20 -8.223 -4.083 -1.267 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.595 -5.504 -3.417 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.529 -5.316 -1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.114 -6.030 -1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.546 -4.330 -0.778 1.00 0.00 H new ATOM 259 N ILE A 21 -9.591 -2.321 -3.185 1.00 0.00 N ATOM 260 CA ILE A 21 -10.054 -1.079 -3.791 1.00 0.00 C ATOM 261 C ILE A 21 -8.940 -0.404 -4.583 1.00 0.00 C ATOM 262 O ILE A 21 -7.813 -0.275 -4.104 1.00 0.00 O ATOM 263 CB ILE A 21 -10.580 -0.096 -2.728 1.00 0.00 C ATOM 264 CG1 ILE A 21 -11.704 -0.743 -1.916 1.00 0.00 C ATOM 265 CG2 ILE A 21 -11.066 1.187 -3.387 1.00 0.00 C ATOM 266 CD1 ILE A 21 -11.856 -0.164 -0.526 1.00 0.00 C ATOM 0 H ILE A 21 -8.753 -2.224 -2.612 1.00 0.00 H new ATOM 0 HA ILE A 21 -10.868 -1.342 -4.466 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.764 0.154 -2.050 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -12.644 -0.626 -2.455 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -11.514 -1.813 -1.836 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.435 1.871 -2.623 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.242 1.654 -3.926 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -11.870 0.955 -4.085 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -12.671 -0.670 -0.008 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.929 -0.305 0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -12.077 0.901 -0.598 1.00 0.00 H new ATOM 278 N LYS A 22 -9.262 0.026 -5.798 1.00 0.00 N ATOM 279 CA LYS A 22 -8.290 0.691 -6.658 1.00 0.00 C ATOM 280 C LYS A 22 -7.662 1.886 -5.947 1.00 0.00 C ATOM 281 O LYS A 22 -6.441 1.980 -5.831 1.00 0.00 O ATOM 282 CB LYS A 22 -8.956 1.149 -7.957 1.00 0.00 C ATOM 283 CG LYS A 22 -7.971 1.630 -9.009 1.00 0.00 C ATOM 284 CD LYS A 22 -7.060 0.507 -9.474 1.00 0.00 C ATOM 285 CE LYS A 22 -6.350 0.867 -10.770 1.00 0.00 C ATOM 286 NZ LYS A 22 -5.165 -0.003 -11.014 1.00 0.00 N ATOM 0 H LYS A 22 -10.190 -0.074 -6.210 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.502 -0.024 -6.894 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.539 0.324 -8.367 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.656 1.953 -7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.516 2.034 -9.862 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.370 2.443 -8.601 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.322 0.292 -8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.645 -0.401 -9.618 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.046 0.774 -11.603 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.034 1.909 -10.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.709 0.274 -11.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.488 0.104 -10.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.470 -0.996 -11.075 1.00 0.00 H new ATOM 300 N ALA A 23 -8.507 2.796 -5.472 1.00 0.00 N ATOM 301 CA ALA A 23 -8.034 3.983 -4.770 1.00 0.00 C ATOM 302 C ALA A 23 -7.002 3.618 -3.708 1.00 0.00 C ATOM 303 O ALA A 23 -6.000 4.312 -3.540 1.00 0.00 O ATOM 304 CB ALA A 23 -9.205 4.723 -4.139 1.00 0.00 C ATOM 0 H ALA A 23 -9.521 2.734 -5.561 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.553 4.638 -5.496 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.838 5.607 -3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.906 5.025 -4.917 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.710 4.067 -3.430 1.00 0.00 H new ATOM 310 N ASN A 24 -7.255 2.526 -2.994 1.00 0.00 N ATOM 311 CA ASN A 24 -6.347 2.070 -1.948 1.00 0.00 C ATOM 312 C ASN A 24 -4.964 1.773 -2.519 1.00 0.00 C ATOM 313 O ASN A 24 -3.945 2.105 -1.911 1.00 0.00 O ATOM 314 CB ASN A 24 -6.909 0.821 -1.265 1.00 0.00 C ATOM 315 CG ASN A 24 -6.402 0.661 0.155 1.00 0.00 C ATOM 316 OD1 ASN A 24 -5.209 0.814 0.421 1.00 0.00 O ATOM 317 ND2 ASN A 24 -7.308 0.352 1.075 1.00 0.00 N ATOM 0 H ASN A 24 -8.081 1.941 -3.121 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.252 2.867 -1.211 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.998 0.874 -1.255 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.638 -0.061 -1.846 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.026 0.232 2.048 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.286 0.235 0.809 1.00 0.00 H new ATOM 324 N LEU A 25 -4.936 1.146 -3.690 1.00 0.00 N ATOM 325 CA LEU A 25 -3.677 0.804 -4.344 1.00 0.00 C ATOM 326 C LEU A 25 -2.934 2.061 -4.786 1.00 0.00 C ATOM 327 O LEU A 25 -1.734 2.197 -4.556 1.00 0.00 O ATOM 328 CB LEU A 25 -3.937 -0.099 -5.551 1.00 0.00 C ATOM 329 CG LEU A 25 -2.697 -0.605 -6.289 1.00 0.00 C ATOM 330 CD1 LEU A 25 -1.652 -1.099 -5.301 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.072 -1.708 -7.268 1.00 0.00 C ATOM 0 H LEU A 25 -5.770 0.864 -4.206 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.055 0.271 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.514 -0.961 -5.217 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.560 0.446 -6.260 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.270 0.224 -6.853 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.777 -1.455 -5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.361 -0.282 -4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.068 -1.914 -4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.177 -2.056 -7.784 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.524 -2.538 -6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.784 -1.321 -7.997 1.00 0.00 H new ATOM 343 N ASN A 26 -3.658 2.978 -5.420 1.00 0.00 N ATOM 344 CA ASN A 26 -3.067 4.225 -5.892 1.00 0.00 C ATOM 345 C ASN A 26 -2.191 4.855 -4.814 1.00 0.00 C ATOM 346 O ASN A 26 -1.071 5.290 -5.085 1.00 0.00 O ATOM 347 CB ASN A 26 -4.164 5.206 -6.311 1.00 0.00 C ATOM 348 CG ASN A 26 -4.525 5.078 -7.779 1.00 0.00 C ATOM 349 OD1 ASN A 26 -3.666 4.813 -8.620 1.00 0.00 O ATOM 350 ND2 ASN A 26 -5.802 5.265 -8.092 1.00 0.00 N ATOM 0 H ASN A 26 -4.654 2.881 -5.619 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.442 3.998 -6.755 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.053 5.033 -5.705 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.833 6.225 -6.109 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.105 5.191 -9.063 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.480 5.483 -7.361 1.00 0.00 H new ATOM 357 N VAL A 27 -2.708 4.900 -3.590 1.00 0.00 N ATOM 358 CA VAL A 27 -1.972 5.474 -2.470 1.00 0.00 C ATOM 359 C VAL A 27 -0.791 4.593 -2.079 1.00 0.00 C ATOM 360 O VAL A 27 0.283 5.091 -1.739 1.00 0.00 O ATOM 361 CB VAL A 27 -2.882 5.670 -1.243 1.00 0.00 C ATOM 362 CG1 VAL A 27 -2.085 6.219 -0.069 1.00 0.00 C ATOM 363 CG2 VAL A 27 -4.046 6.588 -1.584 1.00 0.00 C ATOM 0 H VAL A 27 -3.634 4.546 -3.349 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.603 6.446 -2.798 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.287 4.700 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.745 6.351 0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.289 5.520 0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.649 7.180 -0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.679 6.715 -0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.664 7.559 -1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.631 6.149 -2.392 1.00 0.00 H new ATOM 373 N HIS A 28 -0.997 3.281 -2.128 1.00 0.00 N ATOM 374 CA HIS A 28 0.052 2.329 -1.780 1.00 0.00 C ATOM 375 C HIS A 28 1.287 2.538 -2.651 1.00 0.00 C ATOM 376 O HIS A 28 2.419 2.400 -2.185 1.00 0.00 O ATOM 377 CB HIS A 28 -0.458 0.896 -1.934 1.00 0.00 C ATOM 378 CG HIS A 28 0.626 -0.136 -1.874 1.00 0.00 C ATOM 379 ND1 HIS A 28 1.183 -0.575 -0.692 1.00 0.00 N ATOM 380 CD2 HIS A 28 1.255 -0.817 -2.861 1.00 0.00 C ATOM 381 CE1 HIS A 28 2.108 -1.480 -0.954 1.00 0.00 C ATOM 382 NE2 HIS A 28 2.171 -1.646 -2.263 1.00 0.00 N ATOM 0 H HIS A 28 -1.880 2.853 -2.405 1.00 0.00 H new ATOM 0 HA HIS A 28 0.330 2.498 -0.740 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -1.186 0.692 -1.149 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -0.982 0.806 -2.886 1.00 0.00 H new ATOM 0 HD1 HIS A 28 0.922 -0.251 0.239 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.070 -0.725 -3.921 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.711 -1.997 -0.222 1.00 0.00 H new ATOM 390 N LEU A 29 1.062 2.871 -3.917 1.00 0.00 N ATOM 391 CA LEU A 29 2.157 3.099 -4.855 1.00 0.00 C ATOM 392 C LEU A 29 2.869 4.413 -4.551 1.00 0.00 C ATOM 393 O LEU A 29 4.097 4.489 -4.593 1.00 0.00 O ATOM 394 CB LEU A 29 1.630 3.110 -6.291 1.00 0.00 C ATOM 395 CG LEU A 29 1.053 1.791 -6.805 1.00 0.00 C ATOM 396 CD1 LEU A 29 -0.052 2.050 -7.817 1.00 0.00 C ATOM 397 CD2 LEU A 29 2.150 0.932 -7.418 1.00 0.00 C ATOM 0 H LEU A 29 0.132 2.989 -4.318 1.00 0.00 H new ATOM 0 HA LEU A 29 2.874 2.285 -4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.858 3.875 -6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.443 3.410 -6.953 1.00 0.00 H new ATOM 0 HG LEU A 29 0.625 1.250 -5.961 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.451 1.100 -8.172 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.849 2.625 -7.346 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.351 2.612 -8.660 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.721 -0.003 -7.779 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.608 1.466 -8.251 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.908 0.717 -6.664 1.00 0.00 H new ATOM 409 N ARG A 30 2.090 5.445 -4.244 1.00 0.00 N ATOM 410 CA ARG A 30 2.646 6.756 -3.933 1.00 0.00 C ATOM 411 C ARG A 30 3.911 6.623 -3.089 1.00 0.00 C ATOM 412 O ARG A 30 4.773 7.503 -3.099 1.00 0.00 O ATOM 413 CB ARG A 30 1.614 7.609 -3.193 1.00 0.00 C ATOM 414 CG ARG A 30 0.559 8.215 -4.104 1.00 0.00 C ATOM 415 CD ARG A 30 -0.491 8.976 -3.311 1.00 0.00 C ATOM 416 NE ARG A 30 0.067 10.157 -2.656 1.00 0.00 N ATOM 417 CZ ARG A 30 0.205 11.333 -3.256 1.00 0.00 C ATOM 418 NH1 ARG A 30 -0.172 11.486 -4.518 1.00 0.00 N ATOM 419 NH2 ARG A 30 0.721 12.361 -2.593 1.00 0.00 N ATOM 0 H ARG A 30 1.072 5.398 -4.204 1.00 0.00 H new ATOM 0 HA ARG A 30 2.905 7.245 -4.872 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.121 6.995 -2.439 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.130 8.411 -2.665 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.036 8.887 -4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.079 7.425 -4.682 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.299 9.279 -3.977 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.926 8.317 -2.560 1.00 0.00 H new ATOM 0 HE ARG A 30 0.367 10.073 -1.685 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.569 10.699 -5.031 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.065 12.391 -4.976 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.012 12.247 -1.622 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.827 13.264 -3.055 1.00 0.00 H new ATOM 433 N LYS A 31 4.016 5.518 -2.359 1.00 0.00 N ATOM 434 CA LYS A 31 5.174 5.269 -1.510 1.00 0.00 C ATOM 435 C LYS A 31 6.266 4.535 -2.281 1.00 0.00 C ATOM 436 O LYS A 31 7.455 4.805 -2.104 1.00 0.00 O ATOM 437 CB LYS A 31 4.766 4.452 -0.282 1.00 0.00 C ATOM 438 CG LYS A 31 3.597 5.048 0.484 1.00 0.00 C ATOM 439 CD LYS A 31 2.827 3.981 1.244 1.00 0.00 C ATOM 440 CE LYS A 31 3.380 3.787 2.647 1.00 0.00 C ATOM 441 NZ LYS A 31 4.577 2.901 2.653 1.00 0.00 N ATOM 0 H LYS A 31 3.312 4.780 -2.339 1.00 0.00 H new ATOM 0 HA LYS A 31 5.568 6.232 -1.184 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.505 3.442 -0.598 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.622 4.366 0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.964 5.800 1.182 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.928 5.557 -0.210 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.775 4.262 1.302 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.876 3.038 0.699 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.643 4.756 3.071 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.608 3.359 3.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.752 2.560 3.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.411 2.089 2.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.405 3.434 2.319 1.00 0.00 H new ATOM 455 N HIS A 32 5.856 3.606 -3.139 1.00 0.00 N ATOM 456 CA HIS A 32 6.800 2.834 -3.940 1.00 0.00 C ATOM 457 C HIS A 32 7.694 3.756 -4.764 1.00 0.00 C ATOM 458 O HIS A 32 8.917 3.614 -4.767 1.00 0.00 O ATOM 459 CB HIS A 32 6.052 1.871 -4.862 1.00 0.00 C ATOM 460 CG HIS A 32 5.789 0.533 -4.244 1.00 0.00 C ATOM 461 ND1 HIS A 32 6.792 -0.290 -3.775 1.00 0.00 N ATOM 462 CD2 HIS A 32 4.629 -0.126 -4.018 1.00 0.00 C ATOM 463 CE1 HIS A 32 6.260 -1.396 -3.289 1.00 0.00 C ATOM 464 NE2 HIS A 32 4.948 -1.322 -3.424 1.00 0.00 N ATOM 0 H HIS A 32 4.877 3.369 -3.297 1.00 0.00 H new ATOM 0 HA HIS A 32 7.429 2.259 -3.261 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.102 2.322 -5.151 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.630 1.733 -5.776 1.00 0.00 H new ATOM 0 HD1 HIS A 32 7.789 -0.077 -3.800 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.636 0.224 -4.260 1.00 0.00 H new ATOM 0 HE1 HIS A 32 6.805 -2.221 -2.855 1.00 0.00 H new ATOM 472 N THR A 33 7.075 4.701 -5.465 1.00 0.00 N ATOM 473 CA THR A 33 7.813 5.644 -6.295 1.00 0.00 C ATOM 474 C THR A 33 8.237 6.869 -5.492 1.00 0.00 C ATOM 475 O THR A 33 7.406 7.545 -4.888 1.00 0.00 O ATOM 476 CB THR A 33 6.977 6.103 -7.505 1.00 0.00 C ATOM 477 OG1 THR A 33 7.790 6.869 -8.400 1.00 0.00 O ATOM 478 CG2 THR A 33 5.785 6.934 -7.055 1.00 0.00 C ATOM 0 H THR A 33 6.064 4.833 -5.474 1.00 0.00 H new ATOM 0 HA THR A 33 8.700 5.122 -6.653 1.00 0.00 H new ATOM 0 HB THR A 33 6.607 5.217 -8.021 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.252 7.155 -9.167 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.210 7.247 -7.926 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.153 6.337 -6.398 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.137 7.815 -6.518 1.00 0.00 H new ATOM 486 N GLY A 34 9.537 7.149 -5.490 1.00 0.00 N ATOM 487 CA GLY A 34 10.048 8.293 -4.757 1.00 0.00 C ATOM 488 C GLY A 34 11.532 8.181 -4.470 1.00 0.00 C ATOM 489 O GLY A 34 12.354 8.751 -5.186 1.00 0.00 O ATOM 0 H GLY A 34 10.245 6.604 -5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.859 9.201 -5.329 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.505 8.390 -3.817 1.00 0.00 H new ATOM 493 N GLU A 35 11.875 7.445 -3.417 1.00 0.00 N ATOM 494 CA GLU A 35 13.271 7.264 -3.035 1.00 0.00 C ATOM 495 C GLU A 35 13.752 5.858 -3.385 1.00 0.00 C ATOM 496 O GLU A 35 13.077 4.869 -3.097 1.00 0.00 O ATOM 497 CB GLU A 35 13.451 7.518 -1.537 1.00 0.00 C ATOM 498 CG GLU A 35 14.857 7.234 -1.036 1.00 0.00 C ATOM 499 CD GLU A 35 15.919 7.968 -1.831 1.00 0.00 C ATOM 500 OE1 GLU A 35 15.602 9.032 -2.404 1.00 0.00 O ATOM 501 OE2 GLU A 35 17.067 7.479 -1.881 1.00 0.00 O ATOM 0 H GLU A 35 11.207 6.965 -2.814 1.00 0.00 H new ATOM 0 HA GLU A 35 13.870 7.984 -3.592 1.00 0.00 H new ATOM 0 HB2 GLU A 35 13.200 8.556 -1.320 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.745 6.898 -0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.930 7.522 0.013 1.00 0.00 H new ATOM 0 HG3 GLU A 35 15.047 6.162 -1.086 1.00 0.00 H new ATOM 508 N LYS A 36 14.923 5.778 -4.007 1.00 0.00 N ATOM 509 CA LYS A 36 15.497 4.495 -4.396 1.00 0.00 C ATOM 510 C LYS A 36 14.569 3.751 -5.351 1.00 0.00 C ATOM 511 O LYS A 36 14.587 2.521 -5.372 1.00 0.00 O ATOM 512 CB LYS A 36 15.766 3.637 -3.158 1.00 0.00 C ATOM 513 CG LYS A 36 16.914 2.659 -3.333 1.00 0.00 C ATOM 514 CD LYS A 36 18.260 3.358 -3.244 1.00 0.00 C ATOM 515 CE LYS A 36 18.606 3.718 -1.807 1.00 0.00 C ATOM 516 NZ LYS A 36 18.825 2.507 -0.968 1.00 0.00 N ATOM 0 H LYS A 36 15.494 6.587 -4.253 1.00 0.00 H new ATOM 0 HA LYS A 36 16.439 4.687 -4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 36 15.983 4.291 -2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.862 3.082 -2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 36 16.854 1.885 -2.568 1.00 0.00 H new ATOM 0 HG3 LYS A 36 16.825 2.161 -4.298 1.00 0.00 H new ATOM 0 HD2 LYS A 36 19.035 2.711 -3.655 1.00 0.00 H new ATOM 0 HD3 LYS A 36 18.243 4.262 -3.853 1.00 0.00 H new ATOM 0 HE2 LYS A 36 19.504 4.336 -1.794 1.00 0.00 H new ATOM 0 HE3 LYS A 36 17.801 4.316 -1.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 19.359 2.768 -0.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.906 2.105 -0.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 19.363 1.802 -1.510 1.00 0.00 H new TER 530 LYS A 36 HETATM 531 ZN ZN A 181 3.455 -2.474 -3.670 1.00 0.00 ZN