USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 298 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 29 HIS HE2 : A 29 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 33 HIS HE2 : A 33 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.0472 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -13:sc= 0.285! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.324 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0624 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -34:sc= 0.286 USER MOD Single : A 37 LYS NZ :NH3+ 159:sc= -0.057 (180deg=-0.334) USER MOD Single : A 39 SER OG : rot 28:sc= 0.488 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0232 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.454 -17.410 4.299 1.00 0.00 N ATOM 2 CA GLY A 1 -5.758 -16.776 4.356 1.00 0.00 C ATOM 3 C GLY A 1 -6.238 -16.314 2.995 1.00 0.00 C ATOM 4 O GLY A 1 -5.824 -16.851 1.968 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.434 -18.223 4.948 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.269 -17.737 3.329 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.723 -16.726 4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.481 -17.476 4.774 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.714 -15.922 5.032 1.00 0.00 H new ATOM 8 N SER A 2 -7.116 -15.316 2.986 1.00 0.00 N ATOM 9 CA SER A 2 -7.658 -14.785 1.741 1.00 0.00 C ATOM 10 C SER A 2 -7.588 -13.261 1.723 1.00 0.00 C ATOM 11 O SER A 2 -7.161 -12.660 0.738 1.00 0.00 O ATOM 12 CB SER A 2 -9.106 -15.243 1.554 1.00 0.00 C ATOM 13 OG SER A 2 -9.195 -16.657 1.531 1.00 0.00 O ATOM 0 H SER A 2 -7.467 -14.859 3.827 1.00 0.00 H new ATOM 0 HA SER A 2 -7.054 -15.168 0.919 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.722 -14.850 2.363 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.502 -14.835 0.624 1.00 0.00 H new ATOM 0 HG SER A 2 -10.130 -16.924 1.412 1.00 0.00 H new ATOM 19 N SER A 3 -8.011 -12.643 2.822 1.00 0.00 N ATOM 20 CA SER A 3 -8.000 -11.189 2.933 1.00 0.00 C ATOM 21 C SER A 3 -8.528 -10.543 1.655 1.00 0.00 C ATOM 22 O SER A 3 -7.974 -9.558 1.169 1.00 0.00 O ATOM 23 CB SER A 3 -6.584 -10.689 3.223 1.00 0.00 C ATOM 24 OG SER A 3 -5.718 -10.948 2.131 1.00 0.00 O ATOM 0 H SER A 3 -8.365 -13.126 3.647 1.00 0.00 H new ATOM 0 HA SER A 3 -8.653 -10.907 3.759 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.608 -9.618 3.427 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.200 -11.176 4.119 1.00 0.00 H new ATOM 0 HG SER A 3 -6.149 -11.575 1.513 1.00 0.00 H new ATOM 30 N GLY A 4 -9.606 -11.106 1.117 1.00 0.00 N ATOM 31 CA GLY A 4 -10.192 -10.573 -0.099 1.00 0.00 C ATOM 32 C GLY A 4 -11.380 -9.672 0.176 1.00 0.00 C ATOM 33 O GLY A 4 -12.491 -10.151 0.404 1.00 0.00 O ATOM 0 H GLY A 4 -10.084 -11.921 1.501 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.435 -10.013 -0.648 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.506 -11.398 -0.739 1.00 0.00 H new ATOM 37 N SER A 5 -11.145 -8.364 0.158 1.00 0.00 N ATOM 38 CA SER A 5 -12.204 -7.394 0.413 1.00 0.00 C ATOM 39 C SER A 5 -12.967 -7.073 -0.868 1.00 0.00 C ATOM 40 O SER A 5 -12.388 -6.603 -1.847 1.00 0.00 O ATOM 41 CB SER A 5 -11.617 -6.111 1.006 1.00 0.00 C ATOM 42 OG SER A 5 -12.579 -5.071 1.023 1.00 0.00 O ATOM 0 H SER A 5 -10.231 -7.952 -0.030 1.00 0.00 H new ATOM 0 HA SER A 5 -12.899 -7.832 1.129 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.266 -6.303 2.020 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.751 -5.800 0.422 1.00 0.00 H new ATOM 0 HG SER A 5 -12.180 -4.263 1.408 1.00 0.00 H new ATOM 48 N SER A 6 -14.271 -7.330 -0.853 1.00 0.00 N ATOM 49 CA SER A 6 -15.114 -7.073 -2.015 1.00 0.00 C ATOM 50 C SER A 6 -15.165 -5.581 -2.329 1.00 0.00 C ATOM 51 O SER A 6 -15.270 -4.748 -1.429 1.00 0.00 O ATOM 52 CB SER A 6 -16.529 -7.602 -1.772 1.00 0.00 C ATOM 53 OG SER A 6 -17.355 -7.388 -2.903 1.00 0.00 O ATOM 0 H SER A 6 -14.767 -7.716 -0.049 1.00 0.00 H new ATOM 0 HA SER A 6 -14.681 -7.593 -2.869 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.488 -8.667 -1.544 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.962 -7.106 -0.903 1.00 0.00 H new ATOM 0 HG SER A 6 -18.253 -7.736 -2.723 1.00 0.00 H new ATOM 59 N GLY A 7 -15.088 -5.250 -3.615 1.00 0.00 N ATOM 60 CA GLY A 7 -15.127 -3.859 -4.027 1.00 0.00 C ATOM 61 C GLY A 7 -13.964 -3.488 -4.925 1.00 0.00 C ATOM 62 O GLY A 7 -13.190 -4.352 -5.337 1.00 0.00 O ATOM 0 H GLY A 7 -14.999 -5.921 -4.378 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.063 -3.664 -4.551 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.118 -3.221 -3.143 1.00 0.00 H new ATOM 66 N GLU A 8 -13.841 -2.200 -5.230 1.00 0.00 N ATOM 67 CA GLU A 8 -12.764 -1.719 -6.088 1.00 0.00 C ATOM 68 C GLU A 8 -12.274 -0.348 -5.629 1.00 0.00 C ATOM 69 O GLU A 8 -13.059 0.591 -5.491 1.00 0.00 O ATOM 70 CB GLU A 8 -13.236 -1.642 -7.542 1.00 0.00 C ATOM 71 CG GLU A 8 -13.658 -2.985 -8.116 1.00 0.00 C ATOM 72 CD GLU A 8 -13.896 -2.930 -9.613 1.00 0.00 C ATOM 73 OE1 GLU A 8 -12.905 -2.942 -10.372 1.00 0.00 O ATOM 74 OE2 GLU A 8 -15.074 -2.875 -10.025 1.00 0.00 O ATOM 0 H GLU A 8 -14.473 -1.472 -4.896 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.936 -2.425 -6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -14.075 -0.949 -7.607 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.434 -1.230 -8.154 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.888 -3.726 -7.901 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.569 -3.318 -7.619 1.00 0.00 H new ATOM 81 N LYS A 9 -10.971 -0.242 -5.392 1.00 0.00 N ATOM 82 CA LYS A 9 -10.374 1.012 -4.948 1.00 0.00 C ATOM 83 C LYS A 9 -9.802 1.790 -6.129 1.00 0.00 C ATOM 84 O LYS A 9 -8.879 1.343 -6.810 1.00 0.00 O ATOM 85 CB LYS A 9 -9.272 0.741 -3.922 1.00 0.00 C ATOM 86 CG LYS A 9 -9.788 0.587 -2.502 1.00 0.00 C ATOM 87 CD LYS A 9 -8.891 -0.321 -1.678 1.00 0.00 C ATOM 88 CE LYS A 9 -9.482 -0.589 -0.302 1.00 0.00 C ATOM 89 NZ LYS A 9 -8.531 -1.325 0.577 1.00 0.00 N ATOM 0 H LYS A 9 -10.308 -1.010 -5.500 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.156 1.613 -4.483 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.738 -0.166 -4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.551 1.558 -3.951 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.849 1.567 -2.028 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.799 0.179 -2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.746 -1.265 -2.203 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.908 0.138 -1.570 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.753 0.357 0.167 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.400 -1.167 -0.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.971 -1.488 1.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.292 -2.239 0.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.665 -0.763 0.699 1.00 0.00 H new ATOM 103 N PRO A 10 -10.361 2.984 -6.379 1.00 0.00 N ATOM 104 CA PRO A 10 -9.921 3.850 -7.477 1.00 0.00 C ATOM 105 C PRO A 10 -8.537 4.440 -7.231 1.00 0.00 C ATOM 106 O PRO A 10 -8.049 5.253 -8.017 1.00 0.00 O ATOM 107 CB PRO A 10 -10.978 4.957 -7.501 1.00 0.00 C ATOM 108 CG PRO A 10 -11.518 4.995 -6.113 1.00 0.00 C ATOM 109 CD PRO A 10 -11.466 3.580 -5.609 1.00 0.00 C ATOM 0 HA PRO A 10 -9.834 3.304 -8.417 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.541 5.915 -7.782 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.763 4.739 -8.225 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.925 5.656 -5.481 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.539 5.376 -6.102 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.275 3.542 -4.537 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.406 3.056 -5.784 1.00 0.00 H new ATOM 117 N TYR A 11 -7.909 4.026 -6.136 1.00 0.00 N ATOM 118 CA TYR A 11 -6.581 4.516 -5.785 1.00 0.00 C ATOM 119 C TYR A 11 -5.657 3.362 -5.410 1.00 0.00 C ATOM 120 O TYR A 11 -5.826 2.730 -4.367 1.00 0.00 O ATOM 121 CB TYR A 11 -6.671 5.510 -4.626 1.00 0.00 C ATOM 122 CG TYR A 11 -7.593 6.677 -4.899 1.00 0.00 C ATOM 123 CD1 TYR A 11 -8.955 6.586 -4.642 1.00 0.00 C ATOM 124 CD2 TYR A 11 -7.102 7.870 -5.414 1.00 0.00 C ATOM 125 CE1 TYR A 11 -9.802 7.650 -4.891 1.00 0.00 C ATOM 126 CE2 TYR A 11 -7.940 8.939 -5.665 1.00 0.00 C ATOM 127 CZ TYR A 11 -9.289 8.824 -5.402 1.00 0.00 C ATOM 128 OH TYR A 11 -10.129 9.886 -5.650 1.00 0.00 O ATOM 0 H TYR A 11 -8.298 3.352 -5.476 1.00 0.00 H new ATOM 0 HA TYR A 11 -6.166 5.022 -6.657 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -7.016 4.986 -3.735 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -5.673 5.890 -4.406 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -9.359 5.668 -4.241 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -6.046 7.963 -5.622 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -10.859 7.562 -4.687 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.541 9.860 -6.065 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.610 10.637 -6.007 1.00 0.00 H new ATOM 138 N SER A 12 -4.678 3.093 -6.268 1.00 0.00 N ATOM 139 CA SER A 12 -3.727 2.014 -6.029 1.00 0.00 C ATOM 140 C SER A 12 -2.292 2.509 -6.186 1.00 0.00 C ATOM 141 O SER A 12 -2.025 3.447 -6.937 1.00 0.00 O ATOM 142 CB SER A 12 -3.987 0.855 -6.993 1.00 0.00 C ATOM 143 OG SER A 12 -4.013 1.305 -8.336 1.00 0.00 O ATOM 0 H SER A 12 -4.523 3.608 -7.135 1.00 0.00 H new ATOM 0 HA SER A 12 -3.862 1.664 -5.006 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.211 0.098 -6.875 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.936 0.379 -6.747 1.00 0.00 H new ATOM 0 HG SER A 12 -4.179 0.545 -8.932 1.00 0.00 H new ATOM 149 N CYS A 13 -1.372 1.871 -5.471 1.00 0.00 N ATOM 150 CA CYS A 13 0.036 2.245 -5.528 1.00 0.00 C ATOM 151 C CYS A 13 0.722 1.599 -6.729 1.00 0.00 C ATOM 152 O CYS A 13 0.288 0.557 -7.218 1.00 0.00 O ATOM 153 CB CYS A 13 0.748 1.833 -4.238 1.00 0.00 C ATOM 154 SG CYS A 13 2.565 1.927 -4.329 1.00 0.00 S ATOM 0 H CYS A 13 -1.576 1.092 -4.845 1.00 0.00 H new ATOM 0 HA CYS A 13 0.094 3.328 -5.637 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.402 2.471 -3.425 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.460 0.812 -3.987 1.00 0.00 H new ATOM 159 N ASN A 14 1.796 2.225 -7.198 1.00 0.00 N ATOM 160 CA ASN A 14 2.542 1.712 -8.341 1.00 0.00 C ATOM 161 C ASN A 14 3.923 1.223 -7.914 1.00 0.00 C ATOM 162 O ASN A 14 4.368 0.154 -8.329 1.00 0.00 O ATOM 163 CB ASN A 14 2.681 2.795 -9.413 1.00 0.00 C ATOM 164 CG ASN A 14 2.742 2.217 -10.814 1.00 0.00 C ATOM 165 OD1 ASN A 14 1.745 1.717 -11.335 1.00 0.00 O ATOM 166 ND2 ASN A 14 3.916 2.282 -11.430 1.00 0.00 N ATOM 0 H ASN A 14 2.169 3.089 -6.804 1.00 0.00 H new ATOM 0 HA ASN A 14 1.990 0.869 -8.755 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.838 3.482 -9.343 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.583 3.377 -9.223 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.018 1.909 -12.374 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.716 2.705 -10.960 1.00 0.00 H new ATOM 173 N GLU A 15 4.594 2.013 -7.082 1.00 0.00 N ATOM 174 CA GLU A 15 5.924 1.660 -6.600 1.00 0.00 C ATOM 175 C GLU A 15 5.974 0.199 -6.164 1.00 0.00 C ATOM 176 O GLU A 15 6.534 -0.650 -6.858 1.00 0.00 O ATOM 177 CB GLU A 15 6.325 2.566 -5.434 1.00 0.00 C ATOM 178 CG GLU A 15 6.205 4.048 -5.745 1.00 0.00 C ATOM 179 CD GLU A 15 7.516 4.655 -6.208 1.00 0.00 C ATOM 180 OE1 GLU A 15 8.291 3.946 -6.884 1.00 0.00 O ATOM 181 OE2 GLU A 15 7.766 5.837 -5.895 1.00 0.00 O ATOM 0 H GLU A 15 4.239 2.901 -6.728 1.00 0.00 H new ATOM 0 HA GLU A 15 6.629 1.801 -7.419 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.700 2.333 -4.572 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.354 2.345 -5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.449 4.193 -6.517 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.859 4.575 -4.856 1.00 0.00 H new ATOM 188 N CYS A 16 5.384 -0.088 -5.008 1.00 0.00 N ATOM 189 CA CYS A 16 5.361 -1.445 -4.476 1.00 0.00 C ATOM 190 C CYS A 16 4.016 -2.112 -4.746 1.00 0.00 C ATOM 191 O CYS A 16 3.879 -3.329 -4.629 1.00 0.00 O ATOM 192 CB CYS A 16 5.644 -1.432 -2.973 1.00 0.00 C ATOM 193 SG CYS A 16 4.289 -0.745 -1.968 1.00 0.00 S ATOM 0 H CYS A 16 4.915 0.602 -4.421 1.00 0.00 H new ATOM 0 HA CYS A 16 6.139 -2.019 -4.980 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.846 -2.451 -2.643 1.00 0.00 H new ATOM 0 HB3 CYS A 16 6.549 -0.852 -2.789 1.00 0.00 H new ATOM 198 N GLY A 17 3.023 -1.305 -5.107 1.00 0.00 N ATOM 199 CA GLY A 17 1.701 -1.834 -5.388 1.00 0.00 C ATOM 200 C GLY A 17 0.820 -1.876 -4.155 1.00 0.00 C ATOM 201 O GLY A 17 1.216 -2.407 -3.117 1.00 0.00 O ATOM 0 H GLY A 17 3.111 -0.294 -5.210 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.223 -1.221 -6.152 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.795 -2.839 -5.798 1.00 0.00 H new ATOM 205 N LYS A 18 -0.379 -1.315 -4.267 1.00 0.00 N ATOM 206 CA LYS A 18 -1.320 -1.289 -3.154 1.00 0.00 C ATOM 207 C LYS A 18 -2.656 -0.693 -3.584 1.00 0.00 C ATOM 208 O LYS A 18 -2.804 -0.226 -4.713 1.00 0.00 O ATOM 209 CB LYS A 18 -0.741 -0.483 -1.989 1.00 0.00 C ATOM 210 CG LYS A 18 -1.503 -0.663 -0.687 1.00 0.00 C ATOM 211 CD LYS A 18 -0.585 -0.541 0.517 1.00 0.00 C ATOM 212 CE LYS A 18 -1.217 -1.141 1.764 1.00 0.00 C ATOM 213 NZ LYS A 18 -1.007 -2.613 1.839 1.00 0.00 N ATOM 0 H LYS A 18 -0.722 -0.872 -5.119 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.489 -2.316 -2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.298 -0.776 -1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.738 0.574 -2.255 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.293 0.085 -0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.987 -1.640 -0.679 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.359 -1.044 0.308 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.354 0.509 0.695 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.793 -0.668 2.650 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.286 -0.926 1.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.452 -2.984 2.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.434 -3.067 1.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.012 -2.818 1.860 1.00 0.00 H new ATOM 227 N ALA A 19 -3.627 -0.711 -2.676 1.00 0.00 N ATOM 228 CA ALA A 19 -4.949 -0.169 -2.961 1.00 0.00 C ATOM 229 C ALA A 19 -5.403 0.781 -1.857 1.00 0.00 C ATOM 230 O ALA A 19 -4.943 0.690 -0.719 1.00 0.00 O ATOM 231 CB ALA A 19 -5.955 -1.296 -3.137 1.00 0.00 C ATOM 0 H ALA A 19 -3.522 -1.095 -1.737 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.889 0.398 -3.890 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.938 -0.876 -3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.646 -1.933 -3.965 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.003 -1.887 -2.222 1.00 0.00 H new ATOM 237 N PHE A 20 -6.308 1.691 -2.201 1.00 0.00 N ATOM 238 CA PHE A 20 -6.822 2.659 -1.239 1.00 0.00 C ATOM 239 C PHE A 20 -8.181 3.195 -1.681 1.00 0.00 C ATOM 240 O PHE A 20 -8.401 3.468 -2.862 1.00 0.00 O ATOM 241 CB PHE A 20 -5.836 3.816 -1.070 1.00 0.00 C ATOM 242 CG PHE A 20 -4.516 3.398 -0.487 1.00 0.00 C ATOM 243 CD1 PHE A 20 -4.337 3.343 0.886 1.00 0.00 C ATOM 244 CD2 PHE A 20 -3.455 3.060 -1.312 1.00 0.00 C ATOM 245 CE1 PHE A 20 -3.123 2.960 1.425 1.00 0.00 C ATOM 246 CE2 PHE A 20 -2.240 2.675 -0.778 1.00 0.00 C ATOM 247 CZ PHE A 20 -2.074 2.624 0.592 1.00 0.00 C ATOM 0 H PHE A 20 -6.701 1.778 -3.138 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.944 2.152 -0.282 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.664 4.281 -2.041 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.284 4.574 -0.428 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.155 3.602 1.542 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.579 3.098 -2.384 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.995 2.924 2.497 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.421 2.414 -1.432 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.126 2.322 1.011 1.00 0.00 H new ATOM 257 N THR A 21 -9.092 3.342 -0.724 1.00 0.00 N ATOM 258 CA THR A 21 -10.430 3.843 -1.013 1.00 0.00 C ATOM 259 C THR A 21 -10.417 5.352 -1.230 1.00 0.00 C ATOM 260 O THR A 21 -11.181 5.880 -2.038 1.00 0.00 O ATOM 261 CB THR A 21 -11.413 3.508 0.125 1.00 0.00 C ATOM 262 OG1 THR A 21 -11.330 2.116 0.450 1.00 0.00 O ATOM 263 CG2 THR A 21 -12.839 3.857 -0.272 1.00 0.00 C ATOM 0 H THR A 21 -8.927 3.121 0.258 1.00 0.00 H new ATOM 0 HA THR A 21 -10.762 3.350 -1.927 1.00 0.00 H new ATOM 0 HB THR A 21 -11.140 4.101 0.998 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.957 1.911 1.175 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.515 3.612 0.547 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.905 4.923 -0.491 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.120 3.287 -1.157 1.00 0.00 H new ATOM 271 N PHE A 22 -9.544 6.042 -0.504 1.00 0.00 N ATOM 272 CA PHE A 22 -9.432 7.492 -0.617 1.00 0.00 C ATOM 273 C PHE A 22 -8.048 7.893 -1.119 1.00 0.00 C ATOM 274 O PHE A 22 -7.050 7.238 -0.814 1.00 0.00 O ATOM 275 CB PHE A 22 -9.708 8.153 0.735 1.00 0.00 C ATOM 276 CG PHE A 22 -11.170 8.330 1.028 1.00 0.00 C ATOM 277 CD1 PHE A 22 -11.910 7.296 1.579 1.00 0.00 C ATOM 278 CD2 PHE A 22 -11.806 9.530 0.753 1.00 0.00 C ATOM 279 CE1 PHE A 22 -13.256 7.455 1.850 1.00 0.00 C ATOM 280 CE2 PHE A 22 -13.152 9.696 1.022 1.00 0.00 C ATOM 281 CZ PHE A 22 -13.877 8.657 1.572 1.00 0.00 C ATOM 0 H PHE A 22 -8.904 5.621 0.169 1.00 0.00 H new ATOM 0 HA PHE A 22 -10.174 7.834 -1.339 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -9.258 7.550 1.524 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.220 9.127 0.761 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -11.429 6.354 1.799 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -11.243 10.346 0.323 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -13.821 6.641 2.278 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -13.636 10.636 0.802 1.00 0.00 H new ATOM 0 HZ PHE A 22 -14.928 8.784 1.784 1.00 0.00 H new ATOM 291 N LYS A 23 -7.995 8.973 -1.891 1.00 0.00 N ATOM 292 CA LYS A 23 -6.735 9.464 -2.436 1.00 0.00 C ATOM 293 C LYS A 23 -5.715 9.696 -1.325 1.00 0.00 C ATOM 294 O LYS A 23 -4.633 9.110 -1.331 1.00 0.00 O ATOM 295 CB LYS A 23 -6.963 10.762 -3.213 1.00 0.00 C ATOM 296 CG LYS A 23 -5.701 11.321 -3.847 1.00 0.00 C ATOM 297 CD LYS A 23 -6.012 12.106 -5.110 1.00 0.00 C ATOM 298 CE LYS A 23 -4.858 12.050 -6.100 1.00 0.00 C ATOM 299 NZ LYS A 23 -4.885 10.802 -6.912 1.00 0.00 N ATOM 0 H LYS A 23 -8.811 9.526 -2.154 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.341 8.707 -3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.703 10.583 -3.993 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.383 11.509 -2.540 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.189 11.966 -3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.019 10.504 -4.084 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.912 11.706 -5.576 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.221 13.144 -4.852 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.905 12.915 -6.762 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.913 12.112 -5.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.083 10.801 -7.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.815 9.977 -6.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.776 10.755 -7.447 1.00 0.00 H new ATOM 313 N SER A 24 -6.070 10.553 -0.373 1.00 0.00 N ATOM 314 CA SER A 24 -5.184 10.864 0.743 1.00 0.00 C ATOM 315 C SER A 24 -4.526 9.598 1.284 1.00 0.00 C ATOM 316 O SER A 24 -3.304 9.527 1.410 1.00 0.00 O ATOM 317 CB SER A 24 -5.963 11.563 1.859 1.00 0.00 C ATOM 318 OG SER A 24 -7.074 10.786 2.271 1.00 0.00 O ATOM 0 H SER A 24 -6.964 11.044 -0.352 1.00 0.00 H new ATOM 0 HA SER A 24 -4.403 11.532 0.380 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.305 11.741 2.709 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.306 12.538 1.512 1.00 0.00 H new ATOM 0 HG SER A 24 -7.554 11.254 2.986 1.00 0.00 H new ATOM 324 N GLN A 25 -5.346 8.601 1.600 1.00 0.00 N ATOM 325 CA GLN A 25 -4.844 7.338 2.128 1.00 0.00 C ATOM 326 C GLN A 25 -3.723 6.789 1.251 1.00 0.00 C ATOM 327 O GLN A 25 -2.773 6.182 1.748 1.00 0.00 O ATOM 328 CB GLN A 25 -5.977 6.315 2.226 1.00 0.00 C ATOM 329 CG GLN A 25 -6.999 6.640 3.304 1.00 0.00 C ATOM 330 CD GLN A 25 -7.684 5.404 3.851 1.00 0.00 C ATOM 331 OE1 GLN A 25 -7.326 4.900 4.916 1.00 0.00 O ATOM 332 NE2 GLN A 25 -8.677 4.907 3.123 1.00 0.00 N ATOM 0 H GLN A 25 -6.360 8.643 1.500 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.444 7.524 3.125 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.484 6.254 1.263 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.551 5.332 2.425 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.505 7.168 4.120 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -7.750 7.316 2.895 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.941 5.356 2.246 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.176 4.076 3.441 1.00 0.00 H new ATOM 341 N LEU A 26 -3.840 7.005 -0.054 1.00 0.00 N ATOM 342 CA LEU A 26 -2.836 6.532 -1.001 1.00 0.00 C ATOM 343 C LEU A 26 -1.595 7.419 -0.967 1.00 0.00 C ATOM 344 O LEU A 26 -0.474 6.929 -0.827 1.00 0.00 O ATOM 345 CB LEU A 26 -3.416 6.500 -2.416 1.00 0.00 C ATOM 346 CG LEU A 26 -2.400 6.425 -3.556 1.00 0.00 C ATOM 347 CD1 LEU A 26 -1.679 5.085 -3.541 1.00 0.00 C ATOM 348 CD2 LEU A 26 -3.084 6.649 -4.896 1.00 0.00 C ATOM 0 H LEU A 26 -4.620 7.505 -0.481 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.546 5.522 -0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.084 5.642 -2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.026 7.392 -2.558 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.662 7.214 -3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.960 5.050 -4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.156 4.964 -2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.404 4.280 -3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.345 6.592 -5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.844 5.883 -5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.553 7.633 -4.905 1.00 0.00 H new ATOM 360 N ILE A 27 -1.804 8.725 -1.095 1.00 0.00 N ATOM 361 CA ILE A 27 -0.703 9.680 -1.076 1.00 0.00 C ATOM 362 C ILE A 27 0.221 9.430 0.112 1.00 0.00 C ATOM 363 O ILE A 27 1.444 9.495 -0.014 1.00 0.00 O ATOM 364 CB ILE A 27 -1.216 11.130 -1.016 1.00 0.00 C ATOM 365 CG1 ILE A 27 -2.462 11.289 -1.890 1.00 0.00 C ATOM 366 CG2 ILE A 27 -0.127 12.096 -1.457 1.00 0.00 C ATOM 367 CD1 ILE A 27 -2.354 10.594 -3.229 1.00 0.00 C ATOM 0 H ILE A 27 -2.726 9.146 -1.213 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.147 9.538 -2.003 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.485 11.362 0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.325 10.894 -1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.647 12.350 -2.055 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.505 13.117 -1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.736 11.997 -0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.170 11.867 -2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.273 10.749 -3.795 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.512 11.005 -3.785 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.200 9.526 -3.073 1.00 0.00 H new ATOM 379 N VAL A 28 -0.373 9.142 1.266 1.00 0.00 N ATOM 380 CA VAL A 28 0.396 8.879 2.476 1.00 0.00 C ATOM 381 C VAL A 28 1.270 7.640 2.314 1.00 0.00 C ATOM 382 O VAL A 28 2.439 7.638 2.700 1.00 0.00 O ATOM 383 CB VAL A 28 -0.525 8.688 3.696 1.00 0.00 C ATOM 384 CG1 VAL A 28 0.296 8.542 4.968 1.00 0.00 C ATOM 385 CG2 VAL A 28 -1.502 9.848 3.812 1.00 0.00 C ATOM 0 H VAL A 28 -1.384 9.085 1.388 1.00 0.00 H new ATOM 0 HA VAL A 28 1.031 9.749 2.642 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.099 7.772 3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.372 8.408 5.819 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.951 7.675 4.881 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.898 9.438 5.117 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.145 9.697 4.679 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.948 10.780 3.929 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.114 9.900 2.911 1.00 0.00 H new ATOM 395 N HIS A 29 0.696 6.588 1.739 1.00 0.00 N ATOM 396 CA HIS A 29 1.423 5.343 1.524 1.00 0.00 C ATOM 397 C HIS A 29 2.465 5.505 0.422 1.00 0.00 C ATOM 398 O HIS A 29 3.465 4.787 0.387 1.00 0.00 O ATOM 399 CB HIS A 29 0.453 4.217 1.164 1.00 0.00 C ATOM 400 CG HIS A 29 1.104 3.071 0.452 1.00 0.00 C ATOM 401 ND1 HIS A 29 1.423 1.882 1.073 1.00 0.00 N ATOM 402 CD2 HIS A 29 1.493 2.936 -0.837 1.00 0.00 C ATOM 403 CE1 HIS A 29 1.982 1.066 0.198 1.00 0.00 C ATOM 404 NE2 HIS A 29 2.036 1.682 -0.969 1.00 0.00 N ATOM 0 H HIS A 29 -0.271 6.573 1.414 1.00 0.00 H new ATOM 0 HA HIS A 29 1.937 5.087 2.450 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.017 3.848 2.076 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.342 4.620 0.536 1.00 0.00 H new ATOM 0 HD1 HIS A 29 1.254 1.666 2.055 1.00 0.00 H new ATOM 0 HD2 HIS A 29 1.395 3.677 -1.617 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.335 0.066 0.402 1.00 0.00 H new ATOM 412 N LYS A 30 2.224 6.452 -0.478 1.00 0.00 N ATOM 413 CA LYS A 30 3.141 6.710 -1.582 1.00 0.00 C ATOM 414 C LYS A 30 4.437 7.335 -1.078 1.00 0.00 C ATOM 415 O LYS A 30 5.506 7.114 -1.646 1.00 0.00 O ATOM 416 CB LYS A 30 2.484 7.632 -2.612 1.00 0.00 C ATOM 417 CG LYS A 30 1.361 6.971 -3.392 1.00 0.00 C ATOM 418 CD LYS A 30 1.131 7.657 -4.729 1.00 0.00 C ATOM 419 CE LYS A 30 0.336 8.943 -4.566 1.00 0.00 C ATOM 420 NZ LYS A 30 0.346 9.762 -5.809 1.00 0.00 N ATOM 0 H LYS A 30 1.401 7.054 -0.465 1.00 0.00 H new ATOM 0 HA LYS A 30 3.378 5.757 -2.055 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.092 8.512 -2.102 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.244 7.981 -3.311 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.601 5.921 -3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.443 7.000 -2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.091 7.878 -5.196 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.599 6.982 -5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.693 8.703 -4.298 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.752 9.525 -3.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.207 10.630 -5.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.326 10.013 -6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.074 9.216 -6.588 1.00 0.00 H new ATOM 434 N GLY A 31 4.335 8.117 -0.007 1.00 0.00 N ATOM 435 CA GLY A 31 5.508 8.760 0.556 1.00 0.00 C ATOM 436 C GLY A 31 6.602 7.770 0.903 1.00 0.00 C ATOM 437 O GLY A 31 7.788 8.069 0.760 1.00 0.00 O ATOM 0 H GLY A 31 3.461 8.316 0.480 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.895 9.490 -0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.222 9.310 1.453 1.00 0.00 H new ATOM 441 N VAL A 32 6.205 6.588 1.362 1.00 0.00 N ATOM 442 CA VAL A 32 7.160 5.551 1.732 1.00 0.00 C ATOM 443 C VAL A 32 8.189 5.333 0.628 1.00 0.00 C ATOM 444 O VAL A 32 9.312 4.899 0.888 1.00 0.00 O ATOM 445 CB VAL A 32 6.452 4.216 2.030 1.00 0.00 C ATOM 446 CG1 VAL A 32 5.293 4.429 2.991 1.00 0.00 C ATOM 447 CG2 VAL A 32 5.973 3.568 0.739 1.00 0.00 C ATOM 0 H VAL A 32 5.228 6.325 1.487 1.00 0.00 H new ATOM 0 HA VAL A 32 7.666 5.894 2.634 1.00 0.00 H new ATOM 0 HB VAL A 32 7.167 3.543 2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.805 3.475 3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.667 4.847 3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.575 5.118 2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.475 2.626 0.968 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.274 4.235 0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.827 3.379 0.088 1.00 0.00 H new ATOM 457 N HIS A 33 7.799 5.638 -0.605 1.00 0.00 N ATOM 458 CA HIS A 33 8.688 5.476 -1.750 1.00 0.00 C ATOM 459 C HIS A 33 9.344 6.803 -2.120 1.00 0.00 C ATOM 460 O HIS A 33 10.562 6.880 -2.291 1.00 0.00 O ATOM 461 CB HIS A 33 7.916 4.925 -2.949 1.00 0.00 C ATOM 462 CG HIS A 33 6.949 3.838 -2.590 1.00 0.00 C ATOM 463 ND1 HIS A 33 7.344 2.611 -2.101 1.00 0.00 N ATOM 464 CD2 HIS A 33 5.598 3.800 -2.651 1.00 0.00 C ATOM 465 CE1 HIS A 33 6.278 1.865 -1.877 1.00 0.00 C ATOM 466 NE2 HIS A 33 5.205 2.563 -2.202 1.00 0.00 N ATOM 0 H HIS A 33 6.874 5.999 -0.837 1.00 0.00 H new ATOM 0 HA HIS A 33 9.469 4.768 -1.474 1.00 0.00 H new ATOM 0 HB2 HIS A 33 7.373 5.740 -3.427 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.625 4.542 -3.682 1.00 0.00 H new ATOM 0 HD1 HIS A 33 8.309 2.324 -1.938 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.949 4.594 -2.990 1.00 0.00 H new ATOM 0 HE1 HIS A 33 6.283 0.856 -1.493 1.00 0.00 H new ATOM 474 N THR A 34 8.530 7.847 -2.242 1.00 0.00 N ATOM 475 CA THR A 34 9.031 9.170 -2.593 1.00 0.00 C ATOM 476 C THR A 34 10.382 9.437 -1.940 1.00 0.00 C ATOM 477 O THR A 34 11.234 10.117 -2.511 1.00 0.00 O ATOM 478 CB THR A 34 8.043 10.274 -2.172 1.00 0.00 C ATOM 479 OG1 THR A 34 7.917 10.301 -0.746 1.00 0.00 O ATOM 480 CG2 THR A 34 6.677 10.048 -2.802 1.00 0.00 C ATOM 0 H THR A 34 7.521 7.802 -2.103 1.00 0.00 H new ATOM 0 HA THR A 34 9.145 9.188 -3.677 1.00 0.00 H new ATOM 0 HB THR A 34 8.432 11.231 -2.521 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.999 9.390 -0.393 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.997 10.840 -2.490 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.771 10.057 -3.888 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.283 9.084 -2.480 1.00 0.00 H new ATOM 488 N GLY A 35 10.573 8.897 -0.740 1.00 0.00 N ATOM 489 CA GLY A 35 11.824 9.089 -0.031 1.00 0.00 C ATOM 490 C GLY A 35 12.680 7.838 -0.018 1.00 0.00 C ATOM 491 O GLY A 35 12.359 6.850 -0.678 1.00 0.00 O ATOM 0 H GLY A 35 9.883 8.330 -0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.381 9.902 -0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.614 9.393 0.995 1.00 0.00 H new ATOM 495 N VAL A 36 13.775 7.880 0.735 1.00 0.00 N ATOM 496 CA VAL A 36 14.682 6.742 0.830 1.00 0.00 C ATOM 497 C VAL A 36 13.925 5.464 1.173 1.00 0.00 C ATOM 498 O VAL A 36 12.997 5.476 1.983 1.00 0.00 O ATOM 499 CB VAL A 36 15.772 6.980 1.892 1.00 0.00 C ATOM 500 CG1 VAL A 36 16.715 5.789 1.966 1.00 0.00 C ATOM 501 CG2 VAL A 36 16.538 8.259 1.590 1.00 0.00 C ATOM 0 H VAL A 36 14.055 8.690 1.288 1.00 0.00 H new ATOM 0 HA VAL A 36 15.154 6.631 -0.146 1.00 0.00 H new ATOM 0 HB VAL A 36 15.291 7.092 2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.478 5.976 2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 36 16.152 4.895 2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 36 17.192 5.642 0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 36 17.304 8.412 2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.009 8.178 0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 36 15.850 9.104 1.593 1.00 0.00 H new ATOM 511 N LYS A 37 14.326 4.360 0.552 1.00 0.00 N ATOM 512 CA LYS A 37 13.688 3.071 0.791 1.00 0.00 C ATOM 513 C LYS A 37 14.730 1.985 1.038 1.00 0.00 C ATOM 514 O LYS A 37 15.807 1.978 0.440 1.00 0.00 O ATOM 515 CB LYS A 37 12.806 2.687 -0.399 1.00 0.00 C ATOM 516 CG LYS A 37 13.591 2.187 -1.600 1.00 0.00 C ATOM 517 CD LYS A 37 12.672 1.618 -2.669 1.00 0.00 C ATOM 518 CE LYS A 37 12.197 2.699 -3.628 1.00 0.00 C ATOM 519 NZ LYS A 37 13.303 3.202 -4.489 1.00 0.00 N ATOM 0 H LYS A 37 15.091 4.332 -0.122 1.00 0.00 H new ATOM 0 HA LYS A 37 13.066 3.161 1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.104 1.914 -0.086 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.214 3.553 -0.697 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.176 3.005 -2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.298 1.421 -1.281 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.196 0.841 -3.225 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.811 1.145 -2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.400 2.302 -4.256 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.773 3.527 -3.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.905 3.650 -5.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.865 3.900 -3.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.913 2.408 -4.770 1.00 0.00 H new ATOM 533 N PRO A 38 14.405 1.045 1.937 1.00 0.00 N ATOM 534 CA PRO A 38 15.299 -0.064 2.282 1.00 0.00 C ATOM 535 C PRO A 38 15.445 -1.066 1.142 1.00 0.00 C ATOM 536 O PRO A 38 14.501 -1.306 0.389 1.00 0.00 O ATOM 537 CB PRO A 38 14.609 -0.717 3.482 1.00 0.00 C ATOM 538 CG PRO A 38 13.169 -0.368 3.327 1.00 0.00 C ATOM 539 CD PRO A 38 13.139 0.992 2.688 1.00 0.00 C ATOM 0 HA PRO A 38 16.312 0.279 2.491 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.757 -1.797 3.484 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.009 -0.339 4.423 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.654 -1.102 2.707 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.664 -0.357 4.293 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.277 1.108 2.031 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.081 1.785 3.434 1.00 0.00 H new ATOM 547 N SER A 39 16.634 -1.649 1.021 1.00 0.00 N ATOM 548 CA SER A 39 16.904 -2.623 -0.030 1.00 0.00 C ATOM 549 C SER A 39 16.056 -3.877 0.161 1.00 0.00 C ATOM 550 O SER A 39 16.209 -4.599 1.145 1.00 0.00 O ATOM 551 CB SER A 39 18.388 -2.994 -0.042 1.00 0.00 C ATOM 552 OG SER A 39 18.787 -3.539 1.203 1.00 0.00 O ATOM 0 H SER A 39 17.425 -1.464 1.638 1.00 0.00 H new ATOM 0 HA SER A 39 16.642 -2.171 -0.987 1.00 0.00 H new ATOM 0 HB2 SER A 39 18.579 -3.715 -0.836 1.00 0.00 H new ATOM 0 HB3 SER A 39 18.985 -2.110 -0.264 1.00 0.00 H new ATOM 0 HG SER A 39 18.019 -3.971 1.632 1.00 0.00 H new ATOM 558 N GLY A 40 15.161 -4.130 -0.790 1.00 0.00 N ATOM 559 CA GLY A 40 14.302 -5.296 -0.708 1.00 0.00 C ATOM 560 C GLY A 40 14.334 -6.130 -1.974 1.00 0.00 C ATOM 561 O GLY A 40 14.471 -5.609 -3.082 1.00 0.00 O ATOM 0 H GLY A 40 15.016 -3.548 -1.615 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.610 -5.912 0.137 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.278 -4.976 -0.513 1.00 0.00 H new ATOM 565 N PRO A 41 14.208 -7.456 -1.818 1.00 0.00 N ATOM 566 CA PRO A 41 14.221 -8.391 -2.947 1.00 0.00 C ATOM 567 C PRO A 41 12.970 -8.274 -3.811 1.00 0.00 C ATOM 568 O PRO A 41 11.984 -8.978 -3.590 1.00 0.00 O ATOM 569 CB PRO A 41 14.278 -9.763 -2.271 1.00 0.00 C ATOM 570 CG PRO A 41 13.675 -9.547 -0.926 1.00 0.00 C ATOM 571 CD PRO A 41 14.041 -8.144 -0.527 1.00 0.00 C ATOM 0 HA PRO A 41 15.053 -8.200 -3.625 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.721 -10.508 -2.840 1.00 0.00 H new ATOM 0 HB3 PRO A 41 15.304 -10.123 -2.192 1.00 0.00 H new ATOM 0 HG2 PRO A 41 12.593 -9.673 -0.959 1.00 0.00 H new ATOM 0 HG3 PRO A 41 14.059 -10.270 -0.206 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.261 -7.681 0.077 1.00 0.00 H new ATOM 0 HD3 PRO A 41 14.957 -8.120 0.063 1.00 0.00 H new ATOM 579 N SER A 42 13.017 -7.382 -4.795 1.00 0.00 N ATOM 580 CA SER A 42 11.885 -7.172 -5.690 1.00 0.00 C ATOM 581 C SER A 42 11.699 -8.367 -6.620 1.00 0.00 C ATOM 582 O SER A 42 10.585 -8.860 -6.799 1.00 0.00 O ATOM 583 CB SER A 42 12.089 -5.898 -6.513 1.00 0.00 C ATOM 584 OG SER A 42 13.271 -5.976 -7.290 1.00 0.00 O ATOM 0 H SER A 42 13.826 -6.793 -4.993 1.00 0.00 H new ATOM 0 HA SER A 42 10.987 -7.064 -5.082 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.230 -5.742 -7.166 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.144 -5.036 -5.848 1.00 0.00 H new ATOM 0 HG SER A 42 13.377 -5.151 -7.808 1.00 0.00 H new ATOM 590 N SER A 43 12.797 -8.827 -7.210 1.00 0.00 N ATOM 591 CA SER A 43 12.756 -9.961 -8.125 1.00 0.00 C ATOM 592 C SER A 43 14.165 -10.431 -8.472 1.00 0.00 C ATOM 593 O SER A 43 15.130 -9.677 -8.354 1.00 0.00 O ATOM 594 CB SER A 43 12.002 -9.586 -9.402 1.00 0.00 C ATOM 595 OG SER A 43 11.387 -10.723 -9.984 1.00 0.00 O ATOM 0 H SER A 43 13.727 -8.431 -7.071 1.00 0.00 H new ATOM 0 HA SER A 43 12.232 -10.778 -7.629 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.245 -8.836 -9.174 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.691 -9.136 -10.116 1.00 0.00 H new ATOM 0 HG SER A 43 10.910 -10.456 -10.798 1.00 0.00 H new ATOM 601 N GLY A 44 14.275 -11.685 -8.902 1.00 0.00 N ATOM 602 CA GLY A 44 15.570 -12.235 -9.260 1.00 0.00 C ATOM 603 C GLY A 44 15.931 -11.972 -10.709 1.00 0.00 C ATOM 604 O GLY A 44 15.238 -12.466 -11.598 1.00 0.00 O ATOM 0 H GLY A 44 13.491 -12.329 -9.009 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.335 -11.804 -8.614 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.568 -13.310 -9.079 1.00 0.00 H new TER 608 GLY A 44 HETATM 609 ZN ZN A 201 3.606 1.334 -2.313 1.00 0.00 ZN