USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 324 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 31 HIS HE2 : A 31 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 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 -58:sc= 0.0915 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= -0.29 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.047) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0158) USER MOD Single : A 26 SER OG : rot 180:sc= -0.669 USER MOD Single : A 27 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-2.2!) USER MOD Single : A 29 ASN : amide:sc= 0.364 X(o=0.36,f=0) USER MOD Single : A 36 THR OG1 : rot 51:sc= 1.18 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -11:sc= 0.722 USER MOD Single : A 44 SER OG : rot 61:sc= 0.279 USER MOD Single : A 45 SER OG : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.705 12.489 6.903 1.00 0.00 N ATOM 2 CA GLY A 1 27.648 11.575 6.513 1.00 0.00 C ATOM 3 C GLY A 1 27.926 10.899 5.185 1.00 0.00 C ATOM 4 O GLY A 1 28.824 10.064 5.082 1.00 0.00 O ATOM 0 H1 GLY A 1 28.467 12.925 7.817 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.600 11.967 6.991 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.806 13.231 6.181 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.526 10.815 7.285 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.706 12.120 6.450 1.00 0.00 H new ATOM 8 N SER A 2 27.153 11.260 4.166 1.00 0.00 N ATOM 9 CA SER A 2 27.317 10.679 2.839 1.00 0.00 C ATOM 10 C SER A 2 27.307 9.155 2.908 1.00 0.00 C ATOM 11 O SER A 2 28.100 8.487 2.244 1.00 0.00 O ATOM 12 CB SER A 2 28.623 11.163 2.204 1.00 0.00 C ATOM 13 OG SER A 2 28.625 10.935 0.806 1.00 0.00 O ATOM 0 H SER A 2 26.407 11.952 4.234 1.00 0.00 H new ATOM 0 HA SER A 2 26.479 11.003 2.222 1.00 0.00 H new ATOM 0 HB2 SER A 2 28.755 12.227 2.402 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.467 10.646 2.661 1.00 0.00 H new ATOM 0 HG SER A 2 28.495 9.980 0.630 1.00 0.00 H new ATOM 19 N SER A 3 26.403 8.611 3.717 1.00 0.00 N ATOM 20 CA SER A 3 26.291 7.166 3.877 1.00 0.00 C ATOM 21 C SER A 3 24.830 6.730 3.864 1.00 0.00 C ATOM 22 O SER A 3 23.929 7.529 4.117 1.00 0.00 O ATOM 23 CB SER A 3 26.956 6.724 5.182 1.00 0.00 C ATOM 24 OG SER A 3 27.230 5.334 5.169 1.00 0.00 O ATOM 0 H SER A 3 25.738 9.149 4.272 1.00 0.00 H new ATOM 0 HA SER A 3 26.801 6.691 3.039 1.00 0.00 H new ATOM 0 HB2 SER A 3 27.883 7.279 5.328 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.306 6.962 6.024 1.00 0.00 H new ATOM 0 HG SER A 3 27.656 5.077 6.013 1.00 0.00 H new ATOM 30 N GLY A 4 24.602 5.454 3.567 1.00 0.00 N ATOM 31 CA GLY A 4 23.248 4.932 3.525 1.00 0.00 C ATOM 32 C GLY A 4 22.797 4.601 2.117 1.00 0.00 C ATOM 33 O GLY A 4 23.364 3.723 1.466 1.00 0.00 O ATOM 0 H GLY A 4 25.331 4.773 3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.188 4.036 4.142 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.566 5.664 3.959 1.00 0.00 H new ATOM 37 N SER A 5 21.773 5.304 1.644 1.00 0.00 N ATOM 38 CA SER A 5 21.242 5.077 0.305 1.00 0.00 C ATOM 39 C SER A 5 20.997 3.591 0.064 1.00 0.00 C ATOM 40 O SER A 5 21.309 3.064 -1.004 1.00 0.00 O ATOM 41 CB SER A 5 22.207 5.624 -0.749 1.00 0.00 C ATOM 42 OG SER A 5 21.512 6.026 -1.917 1.00 0.00 O ATOM 0 H SER A 5 21.294 6.036 2.169 1.00 0.00 H new ATOM 0 HA SER A 5 20.291 5.603 0.224 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.756 6.472 -0.339 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.942 4.861 -1.004 1.00 0.00 H new ATOM 0 HG SER A 5 22.151 6.373 -2.574 1.00 0.00 H new ATOM 48 N SER A 6 20.434 2.920 1.064 1.00 0.00 N ATOM 49 CA SER A 6 20.150 1.493 0.963 1.00 0.00 C ATOM 50 C SER A 6 18.675 1.254 0.654 1.00 0.00 C ATOM 51 O SER A 6 17.802 1.969 1.145 1.00 0.00 O ATOM 52 CB SER A 6 20.532 0.782 2.263 1.00 0.00 C ATOM 53 OG SER A 6 21.936 0.618 2.360 1.00 0.00 O ATOM 0 H SER A 6 20.166 3.342 1.953 1.00 0.00 H new ATOM 0 HA SER A 6 20.746 1.086 0.146 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.170 1.357 3.116 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.045 -0.192 2.305 1.00 0.00 H new ATOM 0 HG SER A 6 22.155 0.163 3.200 1.00 0.00 H new ATOM 59 N GLY A 7 18.404 0.242 -0.165 1.00 0.00 N ATOM 60 CA GLY A 7 17.035 -0.074 -0.526 1.00 0.00 C ATOM 61 C GLY A 7 16.951 -1.098 -1.641 1.00 0.00 C ATOM 62 O GLY A 7 16.335 -0.851 -2.677 1.00 0.00 O ATOM 0 H GLY A 7 19.109 -0.364 -0.585 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.509 -0.452 0.351 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.524 0.838 -0.835 1.00 0.00 H new ATOM 66 N THR A 8 17.575 -2.253 -1.429 1.00 0.00 N ATOM 67 CA THR A 8 17.571 -3.318 -2.425 1.00 0.00 C ATOM 68 C THR A 8 16.166 -3.870 -2.634 1.00 0.00 C ATOM 69 O THR A 8 15.484 -4.237 -1.678 1.00 0.00 O ATOM 70 CB THR A 8 18.508 -4.471 -2.018 1.00 0.00 C ATOM 71 OG1 THR A 8 19.807 -3.958 -1.701 1.00 0.00 O ATOM 72 CG2 THR A 8 18.621 -5.496 -3.136 1.00 0.00 C ATOM 0 H THR A 8 18.089 -2.475 -0.577 1.00 0.00 H new ATOM 0 HA THR A 8 17.929 -2.880 -3.357 1.00 0.00 H new ATOM 0 HB THR A 8 18.087 -4.960 -1.139 1.00 0.00 H new ATOM 0 HG1 THR A 8 20.396 -4.697 -1.442 1.00 0.00 H new ATOM 0 HG21 THR A 8 19.288 -6.301 -2.826 1.00 0.00 H new ATOM 0 HG22 THR A 8 17.635 -5.906 -3.355 1.00 0.00 H new ATOM 0 HG23 THR A 8 19.021 -5.017 -4.030 1.00 0.00 H new ATOM 80 N GLY A 9 15.738 -3.927 -3.891 1.00 0.00 N ATOM 81 CA GLY A 9 14.416 -4.437 -4.203 1.00 0.00 C ATOM 82 C GLY A 9 14.464 -5.744 -4.968 1.00 0.00 C ATOM 83 O GLY A 9 14.965 -5.795 -6.091 1.00 0.00 O ATOM 0 H GLY A 9 16.284 -3.629 -4.700 1.00 0.00 H new ATOM 0 HA2 GLY A 9 13.858 -4.582 -3.278 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.873 -3.696 -4.790 1.00 0.00 H new ATOM 87 N GLU A 10 13.941 -6.804 -4.359 1.00 0.00 N ATOM 88 CA GLU A 10 13.930 -8.118 -4.991 1.00 0.00 C ATOM 89 C GLU A 10 12.502 -8.634 -5.149 1.00 0.00 C ATOM 90 O GLU A 10 12.217 -9.800 -4.877 1.00 0.00 O ATOM 91 CB GLU A 10 14.754 -9.111 -4.169 1.00 0.00 C ATOM 92 CG GLU A 10 15.360 -10.232 -4.998 1.00 0.00 C ATOM 93 CD GLU A 10 15.889 -11.368 -4.144 1.00 0.00 C ATOM 94 OE1 GLU A 10 15.282 -11.651 -3.090 1.00 0.00 O ATOM 95 OE2 GLU A 10 16.910 -11.974 -4.531 1.00 0.00 O ATOM 0 H GLU A 10 13.520 -6.778 -3.430 1.00 0.00 H new ATOM 0 HA GLU A 10 14.375 -8.020 -5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.554 -8.573 -3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 10 14.120 -9.544 -3.396 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.607 -10.619 -5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 10 16.171 -9.832 -5.606 1.00 0.00 H new ATOM 102 N LYS A 11 11.607 -7.755 -5.589 1.00 0.00 N ATOM 103 CA LYS A 11 10.209 -8.119 -5.783 1.00 0.00 C ATOM 104 C LYS A 11 9.720 -7.681 -7.160 1.00 0.00 C ATOM 105 O LYS A 11 10.208 -6.710 -7.739 1.00 0.00 O ATOM 106 CB LYS A 11 9.339 -7.485 -4.696 1.00 0.00 C ATOM 107 CG LYS A 11 9.481 -8.152 -3.338 1.00 0.00 C ATOM 108 CD LYS A 11 8.482 -9.284 -3.166 1.00 0.00 C ATOM 109 CE LYS A 11 8.983 -10.324 -2.176 1.00 0.00 C ATOM 110 NZ LYS A 11 8.281 -11.627 -2.338 1.00 0.00 N ATOM 0 H LYS A 11 11.826 -6.785 -5.818 1.00 0.00 H new ATOM 0 HA LYS A 11 10.129 -9.204 -5.716 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.599 -6.431 -4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.295 -7.529 -5.006 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.494 -8.539 -3.226 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.333 -7.412 -2.551 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.530 -8.881 -2.821 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.297 -9.757 -4.130 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.055 -10.469 -2.313 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.838 -9.957 -1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.651 -12.309 -1.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.261 -11.494 -2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.440 -11.990 -3.300 1.00 0.00 H new ATOM 124 N PRO A 12 8.730 -8.410 -7.697 1.00 0.00 N ATOM 125 CA PRO A 12 8.152 -8.114 -9.011 1.00 0.00 C ATOM 126 C PRO A 12 7.334 -6.827 -9.008 1.00 0.00 C ATOM 127 O PRO A 12 7.448 -6.005 -9.917 1.00 0.00 O ATOM 128 CB PRO A 12 7.250 -9.320 -9.282 1.00 0.00 C ATOM 129 CG PRO A 12 6.901 -9.843 -7.932 1.00 0.00 C ATOM 130 CD PRO A 12 8.100 -9.580 -7.063 1.00 0.00 C ATOM 0 HA PRO A 12 8.920 -7.961 -9.769 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.358 -9.030 -9.837 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.765 -10.074 -9.878 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.016 -9.344 -7.537 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.675 -10.908 -7.973 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.812 -9.372 -6.033 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.774 -10.436 -7.039 1.00 0.00 H new ATOM 138 N TYR A 13 6.509 -6.659 -7.980 1.00 0.00 N ATOM 139 CA TYR A 13 5.670 -5.473 -7.859 1.00 0.00 C ATOM 140 C TYR A 13 6.157 -4.574 -6.726 1.00 0.00 C ATOM 141 O TYR A 13 6.304 -5.018 -5.587 1.00 0.00 O ATOM 142 CB TYR A 13 4.214 -5.875 -7.617 1.00 0.00 C ATOM 143 CG TYR A 13 3.669 -6.829 -8.655 1.00 0.00 C ATOM 144 CD1 TYR A 13 3.161 -6.360 -9.860 1.00 0.00 C ATOM 145 CD2 TYR A 13 3.661 -8.201 -8.430 1.00 0.00 C ATOM 146 CE1 TYR A 13 2.661 -7.228 -10.811 1.00 0.00 C ATOM 147 CE2 TYR A 13 3.164 -9.076 -9.376 1.00 0.00 C ATOM 148 CZ TYR A 13 2.665 -8.585 -10.565 1.00 0.00 C ATOM 149 OH TYR A 13 2.169 -9.454 -11.510 1.00 0.00 O ATOM 0 H TYR A 13 6.404 -7.329 -7.219 1.00 0.00 H new ATOM 0 HA TYR A 13 5.735 -4.916 -8.794 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.132 -6.337 -6.633 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.596 -4.977 -7.601 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.157 -5.298 -10.057 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.050 -8.589 -7.500 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.269 -6.846 -11.742 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.166 -10.139 -9.186 1.00 0.00 H new ATOM 0 HH TYR A 13 2.246 -10.374 -11.181 1.00 0.00 H new ATOM 159 N ILE A 14 6.403 -3.309 -7.048 1.00 0.00 N ATOM 160 CA ILE A 14 6.871 -2.347 -6.059 1.00 0.00 C ATOM 161 C ILE A 14 6.300 -0.959 -6.328 1.00 0.00 C ATOM 162 O ILE A 14 6.349 -0.463 -7.454 1.00 0.00 O ATOM 163 CB ILE A 14 8.409 -2.262 -6.039 1.00 0.00 C ATOM 164 CG1 ILE A 14 9.012 -3.623 -5.690 1.00 0.00 C ATOM 165 CG2 ILE A 14 8.868 -1.203 -5.048 1.00 0.00 C ATOM 166 CD1 ILE A 14 10.500 -3.711 -5.953 1.00 0.00 C ATOM 0 H ILE A 14 6.286 -2.926 -7.986 1.00 0.00 H new ATOM 0 HA ILE A 14 6.522 -2.699 -5.088 1.00 0.00 H new ATOM 0 HB ILE A 14 8.755 -1.976 -7.032 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.824 -3.835 -4.637 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.503 -4.395 -6.267 1.00 0.00 H new ATOM 0 HG21 ILE A 14 9.957 -1.155 -5.045 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.463 -0.234 -5.338 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.514 -1.461 -4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.859 -4.704 -5.682 1.00 0.00 H new ATOM 0 HD12 ILE A 14 10.694 -3.531 -7.010 1.00 0.00 H new ATOM 0 HD13 ILE A 14 11.020 -2.962 -5.356 1.00 0.00 H new ATOM 178 N CYS A 15 5.758 -0.336 -5.287 1.00 0.00 N ATOM 179 CA CYS A 15 5.178 0.996 -5.409 1.00 0.00 C ATOM 180 C CYS A 15 6.269 2.057 -5.523 1.00 0.00 C ATOM 181 O CYS A 15 7.043 2.268 -4.590 1.00 0.00 O ATOM 182 CB CYS A 15 4.282 1.298 -4.206 1.00 0.00 C ATOM 183 SG CYS A 15 3.238 2.777 -4.408 1.00 0.00 S ATOM 0 H CYS A 15 5.708 -0.733 -4.349 1.00 0.00 H new ATOM 0 HA CYS A 15 4.576 1.020 -6.317 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.641 0.437 -4.019 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.908 1.427 -3.323 1.00 0.00 H new ATOM 188 N ASN A 16 6.324 2.720 -6.674 1.00 0.00 N ATOM 189 CA ASN A 16 7.321 3.758 -6.910 1.00 0.00 C ATOM 190 C ASN A 16 6.847 5.101 -6.362 1.00 0.00 C ATOM 191 O ASN A 16 7.291 6.157 -6.813 1.00 0.00 O ATOM 192 CB ASN A 16 7.614 3.880 -8.407 1.00 0.00 C ATOM 193 CG ASN A 16 8.602 2.835 -8.889 1.00 0.00 C ATOM 194 OD1 ASN A 16 8.230 1.884 -9.576 1.00 0.00 O ATOM 195 ND2 ASN A 16 9.869 3.009 -8.531 1.00 0.00 N ATOM 0 H ASN A 16 5.691 2.557 -7.457 1.00 0.00 H new ATOM 0 HA ASN A 16 8.236 3.475 -6.389 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.683 3.782 -8.966 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.009 4.874 -8.618 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.579 2.339 -8.827 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.132 3.813 -7.960 1.00 0.00 H new ATOM 202 N GLU A 17 5.945 5.052 -5.388 1.00 0.00 N ATOM 203 CA GLU A 17 5.412 6.265 -4.779 1.00 0.00 C ATOM 204 C GLU A 17 5.851 6.380 -3.322 1.00 0.00 C ATOM 205 O GLU A 17 6.227 7.458 -2.858 1.00 0.00 O ATOM 206 CB GLU A 17 3.884 6.276 -4.864 1.00 0.00 C ATOM 207 CG GLU A 17 3.355 6.305 -6.288 1.00 0.00 C ATOM 208 CD GLU A 17 3.743 7.569 -7.030 1.00 0.00 C ATOM 209 OE1 GLU A 17 4.914 7.673 -7.451 1.00 0.00 O ATOM 210 OE2 GLU A 17 2.876 8.454 -7.188 1.00 0.00 O ATOM 0 H GLU A 17 5.568 4.186 -5.003 1.00 0.00 H new ATOM 0 HA GLU A 17 5.806 7.120 -5.328 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.494 5.393 -4.358 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.505 7.145 -4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.735 5.439 -6.830 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.269 6.218 -6.270 1.00 0.00 H new ATOM 217 N CYS A 18 5.801 5.263 -2.604 1.00 0.00 N ATOM 218 CA CYS A 18 6.192 5.237 -1.200 1.00 0.00 C ATOM 219 C CYS A 18 7.385 4.310 -0.985 1.00 0.00 C ATOM 220 O CYS A 18 8.311 4.635 -0.242 1.00 0.00 O ATOM 221 CB CYS A 18 5.018 4.785 -0.330 1.00 0.00 C ATOM 222 SG CYS A 18 4.276 3.203 -0.846 1.00 0.00 S ATOM 0 H CYS A 18 5.493 4.363 -2.972 1.00 0.00 H new ATOM 0 HA CYS A 18 6.482 6.247 -0.911 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.358 4.695 0.702 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.249 5.557 -0.346 1.00 0.00 H new ATOM 227 N GLY A 19 7.356 3.154 -1.641 1.00 0.00 N ATOM 228 CA GLY A 19 8.440 2.198 -1.509 1.00 0.00 C ATOM 229 C GLY A 19 7.997 0.907 -0.849 1.00 0.00 C ATOM 230 O GLY A 19 8.660 0.405 0.058 1.00 0.00 O ATOM 0 H GLY A 19 6.601 2.862 -2.262 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.848 1.977 -2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.245 2.644 -0.924 1.00 0.00 H new ATOM 234 N LYS A 20 6.871 0.368 -1.304 1.00 0.00 N ATOM 235 CA LYS A 20 6.338 -0.872 -0.753 1.00 0.00 C ATOM 236 C LYS A 20 6.367 -1.987 -1.793 1.00 0.00 C ATOM 237 O LYS A 20 6.327 -1.727 -2.996 1.00 0.00 O ATOM 238 CB LYS A 20 4.906 -0.660 -0.257 1.00 0.00 C ATOM 239 CG LYS A 20 4.827 -0.062 1.137 1.00 0.00 C ATOM 240 CD LYS A 20 3.462 -0.287 1.764 1.00 0.00 C ATOM 241 CE LYS A 20 3.397 -1.621 2.493 1.00 0.00 C ATOM 242 NZ LYS A 20 4.122 -1.579 3.793 1.00 0.00 N ATOM 0 H LYS A 20 6.309 0.771 -2.054 1.00 0.00 H new ATOM 0 HA LYS A 20 6.967 -1.166 0.087 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.382 -0.006 -0.954 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.383 -1.616 -0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.596 -0.507 1.769 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.034 1.007 1.087 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.243 0.521 2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.695 -0.256 0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.355 -1.889 2.667 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.826 -2.400 1.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.888 -2.427 4.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.147 -1.551 3.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.838 -0.730 4.322 1.00 0.00 H new ATOM 256 N SER A 21 6.436 -3.228 -1.323 1.00 0.00 N ATOM 257 CA SER A 21 6.473 -4.382 -2.213 1.00 0.00 C ATOM 258 C SER A 21 5.211 -5.227 -2.060 1.00 0.00 C ATOM 259 O SER A 21 4.601 -5.264 -0.992 1.00 0.00 O ATOM 260 CB SER A 21 7.709 -5.235 -1.926 1.00 0.00 C ATOM 261 OG SER A 21 7.557 -5.965 -0.720 1.00 0.00 O ATOM 0 H SER A 21 6.467 -3.460 -0.330 1.00 0.00 H new ATOM 0 HA SER A 21 6.523 -4.017 -3.239 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.879 -5.924 -2.753 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.589 -4.595 -1.859 1.00 0.00 H new ATOM 0 HG SER A 21 8.360 -6.504 -0.560 1.00 0.00 H new ATOM 267 N PHE A 22 4.826 -5.904 -3.137 1.00 0.00 N ATOM 268 CA PHE A 22 3.637 -6.748 -3.124 1.00 0.00 C ATOM 269 C PHE A 22 3.833 -7.977 -4.007 1.00 0.00 C ATOM 270 O PHE A 22 4.729 -8.012 -4.850 1.00 0.00 O ATOM 271 CB PHE A 22 2.418 -5.955 -3.599 1.00 0.00 C ATOM 272 CG PHE A 22 2.189 -4.687 -2.826 1.00 0.00 C ATOM 273 CD1 PHE A 22 1.427 -4.693 -1.669 1.00 0.00 C ATOM 274 CD2 PHE A 22 2.737 -3.489 -3.257 1.00 0.00 C ATOM 275 CE1 PHE A 22 1.215 -3.528 -0.957 1.00 0.00 C ATOM 276 CE2 PHE A 22 2.529 -2.321 -2.548 1.00 0.00 C ATOM 277 CZ PHE A 22 1.768 -2.341 -1.396 1.00 0.00 C ATOM 0 H PHE A 22 5.320 -5.885 -4.029 1.00 0.00 H new ATOM 0 HA PHE A 22 3.469 -7.081 -2.100 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.542 -5.711 -4.654 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.532 -6.584 -3.520 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.994 -5.619 -1.320 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.333 -3.468 -4.157 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.617 -3.546 -0.058 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.961 -1.394 -2.895 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.605 -1.430 -0.839 1.00 0.00 H new ATOM 287 N ILE A 23 2.989 -8.983 -3.805 1.00 0.00 N ATOM 288 CA ILE A 23 3.069 -10.214 -4.582 1.00 0.00 C ATOM 289 C ILE A 23 1.983 -10.260 -5.652 1.00 0.00 C ATOM 290 O ILE A 23 2.106 -10.978 -6.644 1.00 0.00 O ATOM 291 CB ILE A 23 2.941 -11.457 -3.682 1.00 0.00 C ATOM 292 CG1 ILE A 23 1.703 -11.342 -2.790 1.00 0.00 C ATOM 293 CG2 ILE A 23 4.195 -11.632 -2.839 1.00 0.00 C ATOM 294 CD1 ILE A 23 1.288 -12.654 -2.160 1.00 0.00 C ATOM 0 H ILE A 23 2.242 -8.970 -3.110 1.00 0.00 H new ATOM 0 HA ILE A 23 4.048 -10.222 -5.061 1.00 0.00 H new ATOM 0 HB ILE A 23 2.828 -12.337 -4.316 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.900 -10.616 -2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.874 -10.954 -3.381 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.089 -12.515 -2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.059 -11.754 -3.493 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.337 -10.752 -2.211 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.404 -12.497 -1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.059 -13.377 -2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.101 -13.034 -1.541 1.00 0.00 H new ATOM 306 N GLN A 24 0.922 -9.488 -5.443 1.00 0.00 N ATOM 307 CA GLN A 24 -0.186 -9.440 -6.391 1.00 0.00 C ATOM 308 C GLN A 24 -0.189 -8.122 -7.158 1.00 0.00 C ATOM 309 O GLN A 24 -0.114 -7.046 -6.564 1.00 0.00 O ATOM 310 CB GLN A 24 -1.517 -9.623 -5.661 1.00 0.00 C ATOM 311 CG GLN A 24 -2.703 -9.804 -6.595 1.00 0.00 C ATOM 312 CD GLN A 24 -2.769 -11.195 -7.192 1.00 0.00 C ATOM 313 OE1 GLN A 24 -2.250 -11.442 -8.281 1.00 0.00 O ATOM 314 NE2 GLN A 24 -3.410 -12.115 -6.481 1.00 0.00 N ATOM 0 H GLN A 24 0.806 -8.888 -4.627 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.057 -10.254 -7.105 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.446 -10.491 -5.005 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.695 -8.756 -5.025 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.625 -9.603 -6.049 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.643 -9.070 -7.399 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.826 -11.867 -5.583 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.487 -13.069 -6.833 1.00 0.00 H new ATOM 323 N LYS A 25 -0.278 -8.213 -8.480 1.00 0.00 N ATOM 324 CA LYS A 25 -0.292 -7.028 -9.330 1.00 0.00 C ATOM 325 C LYS A 25 -1.410 -6.075 -8.916 1.00 0.00 C ATOM 326 O LYS A 25 -1.229 -4.858 -8.907 1.00 0.00 O ATOM 327 CB LYS A 25 -0.466 -7.428 -10.796 1.00 0.00 C ATOM 328 CG LYS A 25 -0.428 -6.253 -11.757 1.00 0.00 C ATOM 329 CD LYS A 25 -0.610 -6.703 -13.197 1.00 0.00 C ATOM 330 CE LYS A 25 -2.080 -6.870 -13.547 1.00 0.00 C ATOM 331 NZ LYS A 25 -2.749 -5.559 -13.776 1.00 0.00 N ATOM 0 H LYS A 25 -0.342 -9.096 -8.987 1.00 0.00 H new ATOM 0 HA LYS A 25 0.662 -6.515 -9.211 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.320 -8.133 -11.067 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.416 -7.950 -10.911 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.212 -5.542 -11.495 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.523 -5.730 -11.656 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.156 -5.973 -13.867 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.088 -7.647 -13.353 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.172 -7.486 -14.442 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.587 -7.400 -12.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.715 -5.719 -14.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.788 -5.029 -12.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.211 -5.013 -14.479 1.00 0.00 H new ATOM 345 N SER A 26 -2.564 -6.638 -8.572 1.00 0.00 N ATOM 346 CA SER A 26 -3.711 -5.838 -8.160 1.00 0.00 C ATOM 347 C SER A 26 -3.419 -5.102 -6.856 1.00 0.00 C ATOM 348 O SER A 26 -3.569 -3.883 -6.771 1.00 0.00 O ATOM 349 CB SER A 26 -4.945 -6.727 -7.991 1.00 0.00 C ATOM 350 OG SER A 26 -4.742 -7.695 -6.976 1.00 0.00 O ATOM 0 H SER A 26 -2.729 -7.645 -8.571 1.00 0.00 H new ATOM 0 HA SER A 26 -3.907 -5.100 -8.938 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.809 -6.111 -7.743 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.169 -7.226 -8.934 1.00 0.00 H new ATOM 0 HG SER A 26 -5.546 -8.249 -6.887 1.00 0.00 H new ATOM 356 N HIS A 27 -3.001 -5.851 -5.841 1.00 0.00 N ATOM 357 CA HIS A 27 -2.687 -5.271 -4.540 1.00 0.00 C ATOM 358 C HIS A 27 -1.961 -3.938 -4.701 1.00 0.00 C ATOM 359 O HIS A 27 -2.274 -2.963 -4.016 1.00 0.00 O ATOM 360 CB HIS A 27 -1.830 -6.236 -3.721 1.00 0.00 C ATOM 361 CG HIS A 27 -2.611 -7.355 -3.103 1.00 0.00 C ATOM 362 ND1 HIS A 27 -2.025 -8.508 -2.626 1.00 0.00 N ATOM 363 CD2 HIS A 27 -3.940 -7.491 -2.885 1.00 0.00 C ATOM 364 CE1 HIS A 27 -2.960 -9.306 -2.142 1.00 0.00 C ATOM 365 NE2 HIS A 27 -4.131 -8.713 -2.287 1.00 0.00 N ATOM 0 H HIS A 27 -2.872 -6.861 -5.894 1.00 0.00 H new ATOM 0 HA HIS A 27 -3.624 -5.093 -4.013 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -1.056 -6.656 -4.363 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.323 -5.679 -2.933 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.707 -6.773 -3.135 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -2.795 -10.278 -1.702 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.031 -9.099 -2.001 1.00 0.00 H new ATOM 373 N LEU A 28 -0.992 -3.904 -5.609 1.00 0.00 N ATOM 374 CA LEU A 28 -0.221 -2.691 -5.859 1.00 0.00 C ATOM 375 C LEU A 28 -1.067 -1.648 -6.582 1.00 0.00 C ATOM 376 O LEU A 28 -1.238 -0.530 -6.099 1.00 0.00 O ATOM 377 CB LEU A 28 1.024 -3.016 -6.685 1.00 0.00 C ATOM 378 CG LEU A 28 1.694 -1.832 -7.384 1.00 0.00 C ATOM 379 CD1 LEU A 28 2.468 -0.990 -6.381 1.00 0.00 C ATOM 380 CD2 LEU A 28 2.613 -2.319 -8.495 1.00 0.00 C ATOM 0 H LEU A 28 -0.722 -4.702 -6.184 1.00 0.00 H new ATOM 0 HA LEU A 28 0.086 -2.280 -4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.757 -3.488 -6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.752 -3.752 -7.441 1.00 0.00 H new ATOM 0 HG LEU A 28 0.917 -1.210 -7.829 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.938 -0.152 -6.896 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.785 -0.612 -5.620 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.236 -1.602 -5.908 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.081 -1.463 -8.981 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.384 -2.963 -8.073 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.033 -2.880 -9.228 1.00 0.00 H new ATOM 392 N ASN A 29 -1.596 -2.023 -7.743 1.00 0.00 N ATOM 393 CA ASN A 29 -2.425 -1.120 -8.532 1.00 0.00 C ATOM 394 C ASN A 29 -3.545 -0.527 -7.681 1.00 0.00 C ATOM 395 O ASN A 29 -4.054 0.555 -7.974 1.00 0.00 O ATOM 396 CB ASN A 29 -3.019 -1.859 -9.733 1.00 0.00 C ATOM 397 CG ASN A 29 -2.126 -1.784 -10.957 1.00 0.00 C ATOM 398 OD1 ASN A 29 -2.350 -0.970 -11.853 1.00 0.00 O ATOM 399 ND2 ASN A 29 -1.108 -2.635 -10.999 1.00 0.00 N ATOM 0 H ASN A 29 -1.465 -2.946 -8.157 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.794 -0.306 -8.890 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.182 -2.904 -9.469 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.994 -1.435 -9.971 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.473 -2.631 -11.797 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.961 -3.292 -10.233 1.00 0.00 H new ATOM 406 N ARG A 30 -3.923 -1.243 -6.627 1.00 0.00 N ATOM 407 CA ARG A 30 -4.982 -0.788 -5.735 1.00 0.00 C ATOM 408 C ARG A 30 -4.416 0.093 -4.625 1.00 0.00 C ATOM 409 O ARG A 30 -4.933 1.177 -4.354 1.00 0.00 O ATOM 410 CB ARG A 30 -5.715 -1.985 -5.127 1.00 0.00 C ATOM 411 CG ARG A 30 -6.571 -2.747 -6.126 1.00 0.00 C ATOM 412 CD ARG A 30 -7.459 -3.769 -5.434 1.00 0.00 C ATOM 413 NE ARG A 30 -8.742 -3.197 -5.034 1.00 0.00 N ATOM 414 CZ ARG A 30 -9.492 -3.689 -4.054 1.00 0.00 C ATOM 415 NH1 ARG A 30 -9.089 -4.755 -3.377 1.00 0.00 N ATOM 416 NH2 ARG A 30 -10.648 -3.113 -3.750 1.00 0.00 N ATOM 0 H ARG A 30 -3.512 -2.140 -6.370 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.687 -0.198 -6.320 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.983 -2.667 -4.694 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.348 -1.636 -4.311 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.190 -2.046 -6.686 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.928 -3.251 -6.847 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.631 -4.612 -6.103 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.946 -4.159 -4.555 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.081 -2.375 -5.534 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.201 -5.200 -3.608 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.667 -5.130 -2.625 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.961 -2.292 -4.269 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.224 -3.491 -2.998 1.00 0.00 H new ATOM 430 N HIS A 31 -3.351 -0.381 -3.985 1.00 0.00 N ATOM 431 CA HIS A 31 -2.715 0.364 -2.904 1.00 0.00 C ATOM 432 C HIS A 31 -2.454 1.808 -3.320 1.00 0.00 C ATOM 433 O HIS A 31 -2.684 2.738 -2.547 1.00 0.00 O ATOM 434 CB HIS A 31 -1.403 -0.308 -2.497 1.00 0.00 C ATOM 435 CG HIS A 31 -0.418 0.632 -1.874 1.00 0.00 C ATOM 436 ND1 HIS A 31 -0.258 0.759 -0.510 1.00 0.00 N ATOM 437 CD2 HIS A 31 0.463 1.492 -2.436 1.00 0.00 C ATOM 438 CE1 HIS A 31 0.678 1.658 -0.261 1.00 0.00 C ATOM 439 NE2 HIS A 31 1.132 2.118 -1.413 1.00 0.00 N ATOM 0 H HIS A 31 -2.911 -1.277 -4.196 1.00 0.00 H new ATOM 0 HA HIS A 31 -3.392 0.368 -2.050 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.619 -1.113 -1.795 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -0.950 -0.765 -3.377 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -0.780 0.240 0.196 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.612 1.656 -3.493 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.015 1.965 0.718 1.00 0.00 H new ATOM 447 N ARG A 32 -1.970 1.988 -4.544 1.00 0.00 N ATOM 448 CA ARG A 32 -1.675 3.319 -5.062 1.00 0.00 C ATOM 449 C ARG A 32 -2.843 4.270 -4.814 1.00 0.00 C ATOM 450 O ARG A 32 -2.664 5.486 -4.754 1.00 0.00 O ATOM 451 CB ARG A 32 -1.369 3.251 -6.559 1.00 0.00 C ATOM 452 CG ARG A 32 -0.038 2.589 -6.878 1.00 0.00 C ATOM 453 CD ARG A 32 -0.019 2.032 -8.293 1.00 0.00 C ATOM 454 NE ARG A 32 -0.035 3.090 -9.299 1.00 0.00 N ATOM 455 CZ ARG A 32 0.231 2.886 -10.584 1.00 0.00 C ATOM 456 NH1 ARG A 32 0.532 1.670 -11.018 1.00 0.00 N ATOM 457 NH2 ARG A 32 0.196 3.901 -11.439 1.00 0.00 N ATOM 0 H ARG A 32 -1.774 1.229 -5.196 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.800 3.700 -4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.167 2.703 -7.060 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.370 4.261 -6.968 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.768 3.314 -6.760 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.150 1.785 -6.166 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.871 1.417 -8.428 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.881 1.381 -8.438 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.263 4.038 -8.998 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.560 0.888 -10.364 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.736 1.517 -12.006 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.035 4.838 -11.109 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.400 3.744 -12.426 1.00 0.00 H new ATOM 471 N ARG A 33 -4.038 3.706 -4.670 1.00 0.00 N ATOM 472 CA ARG A 33 -5.235 4.503 -4.430 1.00 0.00 C ATOM 473 C ARG A 33 -4.982 5.553 -3.352 1.00 0.00 C ATOM 474 O ARG A 33 -5.603 6.617 -3.350 1.00 0.00 O ATOM 475 CB ARG A 33 -6.399 3.602 -4.016 1.00 0.00 C ATOM 476 CG ARG A 33 -6.299 3.095 -2.587 1.00 0.00 C ATOM 477 CD ARG A 33 -7.673 2.836 -1.990 1.00 0.00 C ATOM 478 NE ARG A 33 -8.207 4.015 -1.314 1.00 0.00 N ATOM 479 CZ ARG A 33 -9.467 4.121 -0.906 1.00 0.00 C ATOM 480 NH1 ARG A 33 -10.317 3.123 -1.104 1.00 0.00 N ATOM 481 NH2 ARG A 33 -9.878 5.226 -0.298 1.00 0.00 N ATOM 0 H ARG A 33 -4.203 2.700 -4.715 1.00 0.00 H new ATOM 0 HA ARG A 33 -5.493 5.014 -5.358 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.333 4.152 -4.133 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.445 2.749 -4.693 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.713 2.176 -2.566 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.768 3.826 -1.977 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.359 2.529 -2.779 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.611 2.009 -1.282 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.578 4.800 -1.146 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.004 2.272 -1.570 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.284 3.207 -0.790 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.227 5.995 -0.143 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.846 5.306 0.015 1.00 0.00 H new ATOM 495 N ILE A 34 -4.067 5.247 -2.439 1.00 0.00 N ATOM 496 CA ILE A 34 -3.732 6.164 -1.356 1.00 0.00 C ATOM 497 C ILE A 34 -2.935 7.357 -1.873 1.00 0.00 C ATOM 498 O ILE A 34 -3.093 8.479 -1.391 1.00 0.00 O ATOM 499 CB ILE A 34 -2.922 5.459 -0.252 1.00 0.00 C ATOM 500 CG1 ILE A 34 -1.518 5.120 -0.757 1.00 0.00 C ATOM 501 CG2 ILE A 34 -3.642 4.203 0.213 1.00 0.00 C ATOM 502 CD1 ILE A 34 -0.682 4.359 0.249 1.00 0.00 C ATOM 0 H ILE A 34 -3.544 4.371 -2.427 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.675 6.514 -0.936 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.828 6.135 0.598 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.601 4.529 -1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.003 6.043 -1.021 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.057 3.716 0.993 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.622 4.471 0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.764 3.521 -0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.300 4.153 -0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.568 4.957 1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.176 3.419 0.495 1.00 0.00 H new ATOM 514 N HIS A 35 -2.079 7.107 -2.859 1.00 0.00 N ATOM 515 CA HIS A 35 -1.258 8.161 -3.444 1.00 0.00 C ATOM 516 C HIS A 35 -2.057 8.969 -4.463 1.00 0.00 C ATOM 517 O HIS A 35 -2.397 10.129 -4.223 1.00 0.00 O ATOM 518 CB HIS A 35 -0.019 7.562 -4.110 1.00 0.00 C ATOM 519 CG HIS A 35 0.741 6.622 -3.226 1.00 0.00 C ATOM 520 ND1 HIS A 35 0.970 6.867 -1.888 1.00 0.00 N ATOM 521 CD2 HIS A 35 1.323 5.430 -3.494 1.00 0.00 C ATOM 522 CE1 HIS A 35 1.663 5.868 -1.372 1.00 0.00 C ATOM 523 NE2 HIS A 35 1.890 4.982 -2.326 1.00 0.00 N ATOM 0 H HIS A 35 -1.936 6.184 -3.269 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.943 8.829 -2.642 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.322 7.033 -5.013 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.643 8.370 -4.421 1.00 0.00 H new ATOM 0 HD1 HIS A 35 0.654 7.691 -1.377 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.339 4.925 -4.449 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.989 5.789 -0.345 1.00 0.00 H new ATOM 531 N THR A 36 -2.354 8.350 -5.601 1.00 0.00 N ATOM 532 CA THR A 36 -3.110 9.012 -6.657 1.00 0.00 C ATOM 533 C THR A 36 -4.404 9.608 -6.114 1.00 0.00 C ATOM 534 O THR A 36 -5.422 8.924 -6.020 1.00 0.00 O ATOM 535 CB THR A 36 -3.447 8.039 -7.802 1.00 0.00 C ATOM 536 OG1 THR A 36 -4.327 7.013 -7.330 1.00 0.00 O ATOM 537 CG2 THR A 36 -2.182 7.408 -8.365 1.00 0.00 C ATOM 0 H THR A 36 -2.082 7.390 -5.815 1.00 0.00 H new ATOM 0 HA THR A 36 -2.479 9.811 -7.045 1.00 0.00 H new ATOM 0 HB THR A 36 -3.938 8.602 -8.595 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.091 7.422 -6.873 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.445 6.724 -9.172 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.526 8.189 -8.750 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.668 6.858 -7.577 1.00 0.00 H new ATOM 545 N GLY A 37 -4.358 10.889 -5.760 1.00 0.00 N ATOM 546 CA GLY A 37 -5.534 11.555 -5.232 1.00 0.00 C ATOM 547 C GLY A 37 -5.353 13.057 -5.129 1.00 0.00 C ATOM 548 O GLY A 37 -5.145 13.733 -6.136 1.00 0.00 O ATOM 0 H GLY A 37 -3.527 11.477 -5.830 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.389 11.338 -5.873 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.764 11.151 -4.246 1.00 0.00 H new ATOM 552 N GLU A 38 -5.432 13.579 -3.909 1.00 0.00 N ATOM 553 CA GLU A 38 -5.278 15.011 -3.680 1.00 0.00 C ATOM 554 C GLU A 38 -4.075 15.557 -4.444 1.00 0.00 C ATOM 555 O GLU A 38 -3.006 14.946 -4.462 1.00 0.00 O ATOM 556 CB GLU A 38 -5.119 15.296 -2.185 1.00 0.00 C ATOM 557 CG GLU A 38 -3.860 14.698 -1.582 1.00 0.00 C ATOM 558 CD GLU A 38 -3.935 14.583 -0.071 1.00 0.00 C ATOM 559 OE1 GLU A 38 -3.952 15.634 0.603 1.00 0.00 O ATOM 560 OE2 GLU A 38 -3.975 13.443 0.436 1.00 0.00 O ATOM 0 H GLU A 38 -5.602 13.032 -3.065 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.176 15.511 -4.044 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.110 16.375 -2.028 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.987 14.904 -1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.690 13.710 -2.010 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.003 15.314 -1.854 1.00 0.00 H new ATOM 567 N LYS A 39 -4.258 16.712 -5.075 1.00 0.00 N ATOM 568 CA LYS A 39 -3.189 17.343 -5.841 1.00 0.00 C ATOM 569 C LYS A 39 -1.832 17.090 -5.192 1.00 0.00 C ATOM 570 O LYS A 39 -1.699 17.053 -3.969 1.00 0.00 O ATOM 571 CB LYS A 39 -3.438 18.848 -5.957 1.00 0.00 C ATOM 572 CG LYS A 39 -3.763 19.515 -4.632 1.00 0.00 C ATOM 573 CD LYS A 39 -3.498 21.011 -4.680 1.00 0.00 C ATOM 574 CE LYS A 39 -4.043 21.714 -3.447 1.00 0.00 C ATOM 575 NZ LYS A 39 -4.104 23.190 -3.631 1.00 0.00 N ATOM 0 H LYS A 39 -5.136 17.230 -5.071 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.182 16.904 -6.839 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.555 19.322 -6.386 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.260 19.019 -6.652 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.809 19.338 -4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.165 19.064 -3.840 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.425 21.189 -4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.957 21.434 -5.574 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.040 21.334 -3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.414 21.481 -2.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.481 23.632 -2.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.149 23.556 -3.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.725 23.414 -4.435 1.00 0.00 H new ATOM 589 N PRO A 40 -0.799 16.912 -6.029 1.00 0.00 N ATOM 590 CA PRO A 40 0.566 16.661 -5.559 1.00 0.00 C ATOM 591 C PRO A 40 1.186 17.888 -4.898 1.00 0.00 C ATOM 592 O PRO A 40 2.064 17.767 -4.043 1.00 0.00 O ATOM 593 CB PRO A 40 1.323 16.305 -6.841 1.00 0.00 C ATOM 594 CG PRO A 40 0.555 16.970 -7.931 1.00 0.00 C ATOM 595 CD PRO A 40 -0.885 16.943 -7.499 1.00 0.00 C ATOM 0 HA PRO A 40 0.598 15.881 -4.798 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.352 16.663 -6.806 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.366 15.226 -6.989 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.898 17.994 -8.082 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.688 16.447 -8.878 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.427 17.821 -7.852 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -1.406 16.069 -7.890 1.00 0.00 H new ATOM 603 N SER A 41 0.724 19.068 -5.299 1.00 0.00 N ATOM 604 CA SER A 41 1.235 20.317 -4.747 1.00 0.00 C ATOM 605 C SER A 41 2.758 20.288 -4.658 1.00 0.00 C ATOM 606 O SER A 41 3.350 20.882 -3.758 1.00 0.00 O ATOM 607 CB SER A 41 0.637 20.570 -3.362 1.00 0.00 C ATOM 608 OG SER A 41 1.197 19.697 -2.397 1.00 0.00 O ATOM 0 H SER A 41 -0.003 19.185 -6.004 1.00 0.00 H new ATOM 0 HA SER A 41 0.942 21.127 -5.415 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.816 21.604 -3.069 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.444 20.432 -3.398 1.00 0.00 H new ATOM 0 HG SER A 41 1.722 19.003 -2.849 1.00 0.00 H new ATOM 614 N GLY A 42 3.387 19.591 -5.600 1.00 0.00 N ATOM 615 CA GLY A 42 4.835 19.497 -5.611 1.00 0.00 C ATOM 616 C GLY A 42 5.490 20.704 -6.252 1.00 0.00 C ATOM 617 O GLY A 42 4.945 21.319 -7.169 1.00 0.00 O ATOM 0 H GLY A 42 2.919 19.090 -6.355 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.197 19.392 -4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.133 18.597 -6.149 1.00 0.00 H new ATOM 621 N PRO A 43 6.687 21.061 -5.764 1.00 0.00 N ATOM 622 CA PRO A 43 7.442 22.207 -6.280 1.00 0.00 C ATOM 623 C PRO A 43 7.979 21.961 -7.686 1.00 0.00 C ATOM 624 O PRO A 43 8.458 22.882 -8.348 1.00 0.00 O ATOM 625 CB PRO A 43 8.596 22.348 -5.285 1.00 0.00 C ATOM 626 CG PRO A 43 8.769 20.985 -4.709 1.00 0.00 C ATOM 627 CD PRO A 43 7.396 20.374 -4.672 1.00 0.00 C ATOM 0 HA PRO A 43 6.822 23.099 -6.364 1.00 0.00 H new ATOM 0 HB2 PRO A 43 9.506 22.687 -5.780 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.364 23.079 -4.510 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.446 20.387 -5.319 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.201 21.036 -3.709 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.431 19.296 -4.831 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.909 20.538 -3.711 1.00 0.00 H new ATOM 635 N SER A 44 7.895 20.714 -8.138 1.00 0.00 N ATOM 636 CA SER A 44 8.376 20.347 -9.465 1.00 0.00 C ATOM 637 C SER A 44 7.315 19.560 -10.228 1.00 0.00 C ATOM 638 O SER A 44 7.597 18.504 -10.794 1.00 0.00 O ATOM 639 CB SER A 44 9.659 19.521 -9.355 1.00 0.00 C ATOM 640 OG SER A 44 9.402 18.254 -8.776 1.00 0.00 O ATOM 0 H SER A 44 7.498 19.940 -7.605 1.00 0.00 H new ATOM 0 HA SER A 44 8.589 21.264 -10.014 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.097 19.390 -10.345 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.391 20.058 -8.752 1.00 0.00 H new ATOM 0 HG SER A 44 8.774 17.758 -9.341 1.00 0.00 H new ATOM 646 N SER A 45 6.093 20.082 -10.238 1.00 0.00 N ATOM 647 CA SER A 45 4.987 19.428 -10.929 1.00 0.00 C ATOM 648 C SER A 45 4.959 19.820 -12.403 1.00 0.00 C ATOM 649 O SER A 45 3.915 20.193 -12.937 1.00 0.00 O ATOM 650 CB SER A 45 3.657 19.792 -10.266 1.00 0.00 C ATOM 651 OG SER A 45 3.382 18.937 -9.170 1.00 0.00 O ATOM 0 H SER A 45 5.843 20.956 -9.775 1.00 0.00 H new ATOM 0 HA SER A 45 5.135 18.350 -10.861 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.688 20.827 -9.925 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.852 19.722 -10.997 1.00 0.00 H new ATOM 0 HG SER A 45 2.617 19.286 -8.667 1.00 0.00 H new ATOM 657 N GLY A 46 6.114 19.733 -13.054 1.00 0.00 N ATOM 658 CA GLY A 46 6.201 20.082 -14.460 1.00 0.00 C ATOM 659 C GLY A 46 7.483 20.817 -14.797 1.00 0.00 C ATOM 660 O GLY A 46 7.552 22.027 -14.587 1.00 0.00 O ATOM 0 H GLY A 46 6.991 19.427 -12.633 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.137 19.175 -15.061 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.348 20.704 -14.730 1.00 0.00 H new TER 664 GLY A 46 HETATM 665 ZN ZN A 201 2.533 3.170 -2.179 1.00 0.00 ZN