USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 523 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 52 HIS HD1 : A 52 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 55 SER OG : rot -125:sc= 0.0134 USER MOD Set 1.2: A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.124 USER MOD Single : A 3 SER OG : rot 39:sc= 0.0244 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 SER OG : rot 26:sc= 0.427 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.5) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -157:sc= -0.0449 (180deg=-0.391) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -5.69! C(o=-5.7!,f=-7.1!) USER MOD Single : A 30 MET CE :methyl 166:sc= -0.699 (180deg=-1.17) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 159:sc= -0.114 (180deg=-0.577) USER MOD Single : A 38 THR OG1 : rot -19:sc= 1.03 USER MOD Single : A 46 ASN : amide:sc= -3.07 K(o=-3.1,f=-3.6) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -14.2! C(o=-14!,f=-21!) USER MOD Single : A 59 ASN : amide:sc= -1.76 K(o=-1.8,f=-0.025) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 36:sc= 0.472 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 5:sc= 0.182 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 66.023 -14.405 9.028 1.00 0.00 N ATOM 2 CA GLY A 1 65.906 -13.409 7.979 1.00 0.00 C ATOM 3 C GLY A 1 64.467 -13.018 7.709 1.00 0.00 C ATOM 4 O GLY A 1 63.698 -13.801 7.152 1.00 0.00 O ATOM 0 H1 GLY A 1 67.026 -14.639 9.175 1.00 0.00 H new ATOM 0 H2 GLY A 1 65.623 -14.028 9.911 1.00 0.00 H new ATOM 0 H3 GLY A 1 65.505 -15.263 8.751 1.00 0.00 H new ATOM 0 HA2 GLY A 1 66.474 -12.522 8.260 1.00 0.00 H new ATOM 0 HA3 GLY A 1 66.352 -13.796 7.063 1.00 0.00 H new ATOM 8 N SER A 2 64.101 -11.803 8.106 1.00 0.00 N ATOM 9 CA SER A 2 62.742 -11.312 7.908 1.00 0.00 C ATOM 10 C SER A 2 62.682 -10.341 6.732 1.00 0.00 C ATOM 11 O SER A 2 63.696 -9.769 6.332 1.00 0.00 O ATOM 12 CB SER A 2 62.236 -10.625 9.178 1.00 0.00 C ATOM 13 OG SER A 2 60.996 -9.979 8.948 1.00 0.00 O ATOM 0 H SER A 2 64.726 -11.141 8.566 1.00 0.00 H new ATOM 0 HA SER A 2 62.102 -12.165 7.685 1.00 0.00 H new ATOM 0 HB2 SER A 2 62.124 -11.361 9.974 1.00 0.00 H new ATOM 0 HB3 SER A 2 62.972 -9.896 9.519 1.00 0.00 H new ATOM 0 HG SER A 2 60.693 -9.549 9.775 1.00 0.00 H new ATOM 19 N SER A 3 61.485 -10.161 6.183 1.00 0.00 N ATOM 20 CA SER A 3 61.291 -9.263 5.051 1.00 0.00 C ATOM 21 C SER A 3 59.953 -8.536 5.156 1.00 0.00 C ATOM 22 O SER A 3 58.916 -9.153 5.395 1.00 0.00 O ATOM 23 CB SER A 3 61.357 -10.044 3.736 1.00 0.00 C ATOM 24 OG SER A 3 60.421 -11.107 3.727 1.00 0.00 O ATOM 0 H SER A 3 60.635 -10.625 6.504 1.00 0.00 H new ATOM 0 HA SER A 3 62.090 -8.522 5.067 1.00 0.00 H new ATOM 0 HB2 SER A 3 61.158 -9.373 2.900 1.00 0.00 H new ATOM 0 HB3 SER A 3 62.363 -10.440 3.594 1.00 0.00 H new ATOM 0 HG SER A 3 59.589 -10.814 4.153 1.00 0.00 H new ATOM 30 N GLY A 4 59.987 -7.219 4.977 1.00 0.00 N ATOM 31 CA GLY A 4 58.772 -6.429 5.056 1.00 0.00 C ATOM 32 C GLY A 4 58.217 -6.081 3.689 1.00 0.00 C ATOM 33 O GLY A 4 58.911 -6.203 2.680 1.00 0.00 O ATOM 0 H GLY A 4 60.833 -6.685 4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 4 58.020 -6.980 5.621 1.00 0.00 H new ATOM 0 HA3 GLY A 4 58.975 -5.511 5.607 1.00 0.00 H new ATOM 37 N SER A 5 56.960 -5.648 3.655 1.00 0.00 N ATOM 38 CA SER A 5 56.310 -5.287 2.401 1.00 0.00 C ATOM 39 C SER A 5 54.939 -4.668 2.659 1.00 0.00 C ATOM 40 O SER A 5 54.205 -5.105 3.545 1.00 0.00 O ATOM 41 CB SER A 5 56.165 -6.518 1.504 1.00 0.00 C ATOM 42 OG SER A 5 55.462 -6.203 0.315 1.00 0.00 O ATOM 0 H SER A 5 56.372 -5.539 4.481 1.00 0.00 H new ATOM 0 HA SER A 5 56.934 -4.550 1.896 1.00 0.00 H new ATOM 0 HB2 SER A 5 57.152 -6.908 1.254 1.00 0.00 H new ATOM 0 HB3 SER A 5 55.638 -7.305 2.044 1.00 0.00 H new ATOM 0 HG SER A 5 55.384 -7.006 -0.242 1.00 0.00 H new ATOM 48 N SER A 6 54.602 -3.648 1.877 1.00 0.00 N ATOM 49 CA SER A 6 53.322 -2.965 2.021 1.00 0.00 C ATOM 50 C SER A 6 53.075 -2.020 0.850 1.00 0.00 C ATOM 51 O SER A 6 54.001 -1.393 0.336 1.00 0.00 O ATOM 52 CB SER A 6 53.282 -2.185 3.337 1.00 0.00 C ATOM 53 OG SER A 6 51.956 -1.804 3.664 1.00 0.00 O ATOM 0 H SER A 6 55.198 -3.276 1.137 1.00 0.00 H new ATOM 0 HA SER A 6 52.535 -3.719 2.029 1.00 0.00 H new ATOM 0 HB2 SER A 6 53.696 -2.797 4.139 1.00 0.00 H new ATOM 0 HB3 SER A 6 53.909 -1.297 3.257 1.00 0.00 H new ATOM 0 HG SER A 6 51.957 -1.309 4.510 1.00 0.00 H new ATOM 59 N GLY A 7 51.816 -1.923 0.431 1.00 0.00 N ATOM 60 CA GLY A 7 51.468 -1.053 -0.678 1.00 0.00 C ATOM 61 C GLY A 7 52.371 -1.255 -1.879 1.00 0.00 C ATOM 62 O GLY A 7 53.054 -2.271 -2.004 1.00 0.00 O ATOM 0 H GLY A 7 51.032 -2.431 0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 7 50.434 -1.237 -0.970 1.00 0.00 H new ATOM 0 HA3 GLY A 7 51.527 -0.014 -0.353 1.00 0.00 H new ATOM 66 N PRO A 8 52.379 -0.271 -2.790 1.00 0.00 N ATOM 67 CA PRO A 8 51.569 0.944 -2.651 1.00 0.00 C ATOM 68 C PRO A 8 50.079 0.668 -2.819 1.00 0.00 C ATOM 69 O PRO A 8 49.684 -0.397 -3.292 1.00 0.00 O ATOM 70 CB PRO A 8 52.078 1.840 -3.782 1.00 0.00 C ATOM 71 CG PRO A 8 52.623 0.897 -4.798 1.00 0.00 C ATOM 72 CD PRO A 8 53.180 -0.267 -4.026 1.00 0.00 C ATOM 0 HA PRO A 8 51.666 1.389 -1.661 1.00 0.00 H new ATOM 0 HB2 PRO A 8 51.274 2.448 -4.197 1.00 0.00 H new ATOM 0 HB3 PRO A 8 52.846 2.527 -3.427 1.00 0.00 H new ATOM 0 HG2 PRO A 8 51.843 0.571 -5.486 1.00 0.00 H new ATOM 0 HG3 PRO A 8 53.398 1.374 -5.397 1.00 0.00 H new ATOM 0 HD2 PRO A 8 53.074 -1.202 -4.576 1.00 0.00 H new ATOM 0 HD3 PRO A 8 54.242 -0.139 -3.816 1.00 0.00 H new ATOM 80 N SER A 9 49.255 1.636 -2.428 1.00 0.00 N ATOM 81 CA SER A 9 47.808 1.496 -2.532 1.00 0.00 C ATOM 82 C SER A 9 47.150 2.845 -2.806 1.00 0.00 C ATOM 83 O SER A 9 47.271 3.779 -2.015 1.00 0.00 O ATOM 84 CB SER A 9 47.239 0.890 -1.247 1.00 0.00 C ATOM 85 OG SER A 9 47.533 1.705 -0.126 1.00 0.00 O ATOM 0 H SER A 9 49.566 2.525 -2.036 1.00 0.00 H new ATOM 0 HA SER A 9 47.591 0.829 -3.367 1.00 0.00 H new ATOM 0 HB2 SER A 9 46.159 0.774 -1.343 1.00 0.00 H new ATOM 0 HB3 SER A 9 47.655 -0.106 -1.096 1.00 0.00 H new ATOM 0 HG SER A 9 47.651 2.633 -0.418 1.00 0.00 H new ATOM 91 N SER A 10 46.452 2.937 -3.934 1.00 0.00 N ATOM 92 CA SER A 10 45.778 4.172 -4.317 1.00 0.00 C ATOM 93 C SER A 10 44.470 3.874 -5.043 1.00 0.00 C ATOM 94 O SER A 10 44.385 2.932 -5.831 1.00 0.00 O ATOM 95 CB SER A 10 46.687 5.020 -5.208 1.00 0.00 C ATOM 96 OG SER A 10 47.825 5.471 -4.493 1.00 0.00 O ATOM 0 H SER A 10 46.339 2.171 -4.598 1.00 0.00 H new ATOM 0 HA SER A 10 45.551 4.729 -3.408 1.00 0.00 H new ATOM 0 HB2 SER A 10 47.004 4.435 -6.071 1.00 0.00 H new ATOM 0 HB3 SER A 10 46.131 5.876 -5.590 1.00 0.00 H new ATOM 0 HG SER A 10 48.391 6.009 -5.085 1.00 0.00 H new ATOM 102 N SER A 11 43.452 4.684 -4.771 1.00 0.00 N ATOM 103 CA SER A 11 42.146 4.506 -5.395 1.00 0.00 C ATOM 104 C SER A 11 42.144 5.055 -6.819 1.00 0.00 C ATOM 105 O SER A 11 43.075 5.747 -7.228 1.00 0.00 O ATOM 106 CB SER A 11 41.063 5.201 -4.568 1.00 0.00 C ATOM 107 OG SER A 11 40.969 4.635 -3.272 1.00 0.00 O ATOM 0 H SER A 11 43.506 5.470 -4.123 1.00 0.00 H new ATOM 0 HA SER A 11 41.933 3.438 -5.435 1.00 0.00 H new ATOM 0 HB2 SER A 11 41.288 6.264 -4.488 1.00 0.00 H new ATOM 0 HB3 SER A 11 40.102 5.116 -5.076 1.00 0.00 H new ATOM 0 HG SER A 11 40.271 5.098 -2.763 1.00 0.00 H new ATOM 113 N GLN A 12 41.092 4.739 -7.567 1.00 0.00 N ATOM 114 CA GLN A 12 40.970 5.199 -8.945 1.00 0.00 C ATOM 115 C GLN A 12 39.870 6.248 -9.073 1.00 0.00 C ATOM 116 O GLN A 12 40.062 7.290 -9.700 1.00 0.00 O ATOM 117 CB GLN A 12 40.677 4.020 -9.875 1.00 0.00 C ATOM 118 CG GLN A 12 41.804 3.002 -9.939 1.00 0.00 C ATOM 119 CD GLN A 12 41.905 2.162 -8.682 1.00 0.00 C ATOM 120 OE1 GLN A 12 42.838 2.314 -7.893 1.00 0.00 O ATOM 121 NE2 GLN A 12 40.941 1.269 -8.487 1.00 0.00 N ATOM 0 H GLN A 12 40.313 4.167 -7.242 1.00 0.00 H new ATOM 0 HA GLN A 12 41.917 5.654 -9.235 1.00 0.00 H new ATOM 0 HB2 GLN A 12 39.767 3.522 -9.541 1.00 0.00 H new ATOM 0 HB3 GLN A 12 40.483 4.399 -10.878 1.00 0.00 H new ATOM 0 HG2 GLN A 12 41.649 2.348 -10.797 1.00 0.00 H new ATOM 0 HG3 GLN A 12 42.749 3.521 -10.101 1.00 0.00 H new ATOM 0 HE21 GLN A 12 40.186 1.177 -9.167 1.00 0.00 H new ATOM 0 HE22 GLN A 12 40.955 0.676 -7.657 1.00 0.00 H new ATOM 130 N SER A 13 38.717 5.965 -8.475 1.00 0.00 N ATOM 131 CA SER A 13 37.585 6.882 -8.526 1.00 0.00 C ATOM 132 C SER A 13 36.539 6.513 -7.478 1.00 0.00 C ATOM 133 O SER A 13 36.062 5.380 -7.435 1.00 0.00 O ATOM 134 CB SER A 13 36.953 6.870 -9.919 1.00 0.00 C ATOM 135 OG SER A 13 36.142 8.014 -10.122 1.00 0.00 O ATOM 0 H SER A 13 38.543 5.108 -7.950 1.00 0.00 H new ATOM 0 HA SER A 13 37.953 7.885 -8.310 1.00 0.00 H new ATOM 0 HB2 SER A 13 37.736 6.837 -10.677 1.00 0.00 H new ATOM 0 HB3 SER A 13 36.353 5.969 -10.041 1.00 0.00 H new ATOM 0 HG SER A 13 35.751 7.983 -11.020 1.00 0.00 H new ATOM 141 N GLU A 14 36.189 7.480 -6.635 1.00 0.00 N ATOM 142 CA GLU A 14 35.201 7.256 -5.586 1.00 0.00 C ATOM 143 C GLU A 14 34.154 8.366 -5.579 1.00 0.00 C ATOM 144 O GLU A 14 33.727 8.824 -4.520 1.00 0.00 O ATOM 145 CB GLU A 14 35.884 7.177 -4.219 1.00 0.00 C ATOM 146 CG GLU A 14 36.672 5.895 -4.006 1.00 0.00 C ATOM 147 CD GLU A 14 35.866 4.653 -4.334 1.00 0.00 C ATOM 148 OE1 GLU A 14 34.748 4.512 -3.796 1.00 0.00 O ATOM 149 OE2 GLU A 14 36.354 3.823 -5.129 1.00 0.00 O ATOM 0 H GLU A 14 36.574 8.424 -6.658 1.00 0.00 H new ATOM 0 HA GLU A 14 34.701 6.309 -5.790 1.00 0.00 H new ATOM 0 HB2 GLU A 14 36.555 8.029 -4.108 1.00 0.00 H new ATOM 0 HB3 GLU A 14 35.128 7.263 -3.439 1.00 0.00 H new ATOM 0 HG2 GLU A 14 37.568 5.916 -4.626 1.00 0.00 H new ATOM 0 HG3 GLU A 14 37.004 5.845 -2.969 1.00 0.00 H new ATOM 156 N GLU A 15 33.745 8.794 -6.770 1.00 0.00 N ATOM 157 CA GLU A 15 32.750 9.851 -6.902 1.00 0.00 C ATOM 158 C GLU A 15 31.502 9.337 -7.614 1.00 0.00 C ATOM 159 O GLU A 15 31.587 8.732 -8.683 1.00 0.00 O ATOM 160 CB GLU A 15 33.334 11.040 -7.667 1.00 0.00 C ATOM 161 CG GLU A 15 34.194 11.952 -6.809 1.00 0.00 C ATOM 162 CD GLU A 15 33.386 13.026 -6.107 1.00 0.00 C ATOM 163 OE1 GLU A 15 32.597 13.715 -6.786 1.00 0.00 O ATOM 164 OE2 GLU A 15 33.543 13.177 -4.877 1.00 0.00 O ATOM 0 H GLU A 15 34.088 8.424 -7.657 1.00 0.00 H new ATOM 0 HA GLU A 15 32.468 10.176 -5.901 1.00 0.00 H new ATOM 0 HB2 GLU A 15 33.932 10.668 -8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 15 32.518 11.622 -8.096 1.00 0.00 H new ATOM 0 HG2 GLU A 15 34.721 11.354 -6.065 1.00 0.00 H new ATOM 0 HG3 GLU A 15 34.952 12.424 -7.434 1.00 0.00 H new ATOM 171 N LYS A 16 30.342 9.583 -7.014 1.00 0.00 N ATOM 172 CA LYS A 16 29.075 9.147 -7.589 1.00 0.00 C ATOM 173 C LYS A 16 27.945 10.093 -7.195 1.00 0.00 C ATOM 174 O LYS A 16 28.124 10.971 -6.352 1.00 0.00 O ATOM 175 CB LYS A 16 28.746 7.724 -7.131 1.00 0.00 C ATOM 176 CG LYS A 16 28.209 7.651 -5.712 1.00 0.00 C ATOM 177 CD LYS A 16 29.327 7.731 -4.687 1.00 0.00 C ATOM 178 CE LYS A 16 30.012 6.386 -4.502 1.00 0.00 C ATOM 179 NZ LYS A 16 30.668 6.276 -3.170 1.00 0.00 N ATOM 0 H LYS A 16 30.253 10.082 -6.129 1.00 0.00 H new ATOM 0 HA LYS A 16 29.174 9.159 -8.674 1.00 0.00 H new ATOM 0 HB2 LYS A 16 28.011 7.293 -7.811 1.00 0.00 H new ATOM 0 HB3 LYS A 16 29.645 7.111 -7.203 1.00 0.00 H new ATOM 0 HG2 LYS A 16 27.504 8.466 -5.547 1.00 0.00 H new ATOM 0 HG3 LYS A 16 27.658 6.720 -5.578 1.00 0.00 H new ATOM 0 HD2 LYS A 16 30.060 8.473 -5.004 1.00 0.00 H new ATOM 0 HD3 LYS A 16 28.923 8.069 -3.733 1.00 0.00 H new ATOM 0 HE2 LYS A 16 29.279 5.587 -4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 16 30.756 6.247 -5.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 31.123 5.345 -3.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 31.385 7.023 -3.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 29.954 6.383 -2.421 1.00 0.00 H new ATOM 193 N ALA A 17 26.782 9.906 -7.810 1.00 0.00 N ATOM 194 CA ALA A 17 25.622 10.741 -7.521 1.00 0.00 C ATOM 195 C ALA A 17 24.591 9.980 -6.694 1.00 0.00 C ATOM 196 O ALA A 17 24.486 8.755 -6.763 1.00 0.00 O ATOM 197 CB ALA A 17 24.998 11.243 -8.815 1.00 0.00 C ATOM 0 H ALA A 17 26.618 9.184 -8.511 1.00 0.00 H new ATOM 0 HA ALA A 17 25.958 11.598 -6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.133 11.865 -8.585 1.00 0.00 H new ATOM 0 HB2 ALA A 17 25.731 11.831 -9.368 1.00 0.00 H new ATOM 0 HB3 ALA A 17 24.683 10.393 -9.421 1.00 0.00 H new ATOM 203 N PRO A 18 23.811 10.721 -5.893 1.00 0.00 N ATOM 204 CA PRO A 18 22.774 10.136 -5.037 1.00 0.00 C ATOM 205 C PRO A 18 21.599 9.592 -5.840 1.00 0.00 C ATOM 206 O PRO A 18 20.908 10.340 -6.531 1.00 0.00 O ATOM 207 CB PRO A 18 22.328 11.314 -4.167 1.00 0.00 C ATOM 208 CG PRO A 18 22.644 12.524 -4.975 1.00 0.00 C ATOM 209 CD PRO A 18 23.882 12.186 -5.760 1.00 0.00 C ATOM 0 HA PRO A 18 23.147 9.285 -4.468 1.00 0.00 H new ATOM 0 HB2 PRO A 18 21.264 11.257 -3.939 1.00 0.00 H new ATOM 0 HB3 PRO A 18 22.857 11.325 -3.214 1.00 0.00 H new ATOM 0 HG2 PRO A 18 21.818 12.776 -5.639 1.00 0.00 H new ATOM 0 HG3 PRO A 18 22.813 13.389 -4.333 1.00 0.00 H new ATOM 0 HD2 PRO A 18 23.888 12.678 -6.733 1.00 0.00 H new ATOM 0 HD3 PRO A 18 24.787 12.499 -5.239 1.00 0.00 H new ATOM 217 N GLU A 19 21.377 8.284 -5.745 1.00 0.00 N ATOM 218 CA GLU A 19 20.284 7.641 -6.464 1.00 0.00 C ATOM 219 C GLU A 19 18.987 8.428 -6.300 1.00 0.00 C ATOM 220 O GLU A 19 18.515 8.643 -5.183 1.00 0.00 O ATOM 221 CB GLU A 19 20.090 6.207 -5.965 1.00 0.00 C ATOM 222 CG GLU A 19 21.339 5.349 -6.079 1.00 0.00 C ATOM 223 CD GLU A 19 21.274 4.107 -5.211 1.00 0.00 C ATOM 224 OE1 GLU A 19 20.298 3.340 -5.346 1.00 0.00 O ATOM 225 OE2 GLU A 19 22.200 3.902 -4.399 1.00 0.00 O ATOM 0 H GLU A 19 21.939 7.650 -5.177 1.00 0.00 H new ATOM 0 HA GLU A 19 20.543 7.618 -7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 19 19.772 6.234 -4.923 1.00 0.00 H new ATOM 0 HB3 GLU A 19 19.285 5.740 -6.532 1.00 0.00 H new ATOM 0 HG2 GLU A 19 21.479 5.054 -7.119 1.00 0.00 H new ATOM 0 HG3 GLU A 19 22.209 5.941 -5.795 1.00 0.00 H new ATOM 232 N LEU A 20 18.416 8.855 -7.421 1.00 0.00 N ATOM 233 CA LEU A 20 17.173 9.619 -7.403 1.00 0.00 C ATOM 234 C LEU A 20 16.093 8.884 -6.615 1.00 0.00 C ATOM 235 O LEU A 20 16.134 7.665 -6.447 1.00 0.00 O ATOM 236 CB LEU A 20 16.691 9.879 -8.831 1.00 0.00 C ATOM 237 CG LEU A 20 17.390 11.014 -9.579 1.00 0.00 C ATOM 238 CD1 LEU A 20 17.127 12.347 -8.895 1.00 0.00 C ATOM 239 CD2 LEU A 20 18.886 10.748 -9.674 1.00 0.00 C ATOM 0 H LEU A 20 18.793 8.685 -8.353 1.00 0.00 H new ATOM 0 HA LEU A 20 17.368 10.573 -6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 20 16.813 8.962 -9.407 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.623 10.095 -8.799 1.00 0.00 H new ATOM 0 HG LEU A 20 16.984 11.061 -10.589 1.00 0.00 H new ATOM 0 HD11 LEU A 20 17.633 13.143 -9.442 1.00 0.00 H new ATOM 0 HD12 LEU A 20 16.055 12.542 -8.879 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.505 12.312 -7.873 1.00 0.00 H new ATOM 0 HD21 LEU A 20 19.368 11.566 -10.210 1.00 0.00 H new ATOM 0 HD22 LEU A 20 19.307 10.673 -8.671 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.056 9.814 -10.209 1.00 0.00 H new ATOM 251 N PRO A 21 15.101 9.640 -6.123 1.00 0.00 N ATOM 252 CA PRO A 21 13.989 9.081 -5.348 1.00 0.00 C ATOM 253 C PRO A 21 13.052 8.237 -6.204 1.00 0.00 C ATOM 254 O PRO A 21 12.810 8.548 -7.370 1.00 0.00 O ATOM 255 CB PRO A 21 13.263 10.323 -4.824 1.00 0.00 C ATOM 256 CG PRO A 21 13.595 11.397 -5.802 1.00 0.00 C ATOM 257 CD PRO A 21 14.988 11.099 -6.285 1.00 0.00 C ATOM 0 HA PRO A 21 14.336 8.410 -4.562 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.187 10.158 -4.767 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.599 10.584 -3.820 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.887 11.403 -6.631 1.00 0.00 H new ATOM 0 HG3 PRO A 21 13.546 12.380 -5.334 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.126 11.400 -7.324 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.739 11.628 -5.698 1.00 0.00 H new ATOM 265 N LYS A 22 12.526 7.166 -5.618 1.00 0.00 N ATOM 266 CA LYS A 22 11.614 6.277 -6.327 1.00 0.00 C ATOM 267 C LYS A 22 10.420 5.912 -5.450 1.00 0.00 C ATOM 268 O LYS A 22 10.567 5.383 -4.348 1.00 0.00 O ATOM 269 CB LYS A 22 12.345 5.006 -6.766 1.00 0.00 C ATOM 270 CG LYS A 22 13.473 5.263 -7.750 1.00 0.00 C ATOM 271 CD LYS A 22 14.424 4.080 -7.830 1.00 0.00 C ATOM 272 CE LYS A 22 13.889 2.997 -8.754 1.00 0.00 C ATOM 273 NZ LYS A 22 14.881 1.905 -8.961 1.00 0.00 N ATOM 0 H LYS A 22 12.716 6.893 -4.654 1.00 0.00 H new ATOM 0 HA LYS A 22 11.248 6.801 -7.210 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.749 4.507 -5.885 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.627 4.322 -7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.057 5.464 -8.737 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.024 6.154 -7.449 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.397 4.417 -8.188 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.577 3.667 -6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.973 2.581 -8.334 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.627 3.437 -9.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.479 1.187 -9.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.746 2.297 -9.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.112 1.468 -8.046 1.00 0.00 H new ATOM 287 N PRO A 23 9.209 6.198 -5.949 1.00 0.00 N ATOM 288 CA PRO A 23 7.966 5.906 -5.228 1.00 0.00 C ATOM 289 C PRO A 23 7.685 4.410 -5.140 1.00 0.00 C ATOM 290 O PRO A 23 7.223 3.914 -4.112 1.00 0.00 O ATOM 291 CB PRO A 23 6.895 6.603 -6.070 1.00 0.00 C ATOM 292 CG PRO A 23 7.474 6.669 -7.441 1.00 0.00 C ATOM 293 CD PRO A 23 8.958 6.828 -7.256 1.00 0.00 C ATOM 0 HA PRO A 23 8.004 6.249 -4.194 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.959 6.044 -6.062 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.675 7.599 -5.685 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.246 5.765 -8.005 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.058 7.507 -8.000 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.517 6.337 -8.053 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.253 7.877 -7.259 1.00 0.00 H new ATOM 301 N LYS A 24 7.965 3.695 -6.224 1.00 0.00 N ATOM 302 CA LYS A 24 7.744 2.255 -6.270 1.00 0.00 C ATOM 303 C LYS A 24 8.961 1.535 -6.844 1.00 0.00 C ATOM 304 O LYS A 24 9.145 1.479 -8.060 1.00 0.00 O ATOM 305 CB LYS A 24 6.506 1.934 -7.110 1.00 0.00 C ATOM 306 CG LYS A 24 6.443 2.704 -8.418 1.00 0.00 C ATOM 307 CD LYS A 24 5.008 2.994 -8.826 1.00 0.00 C ATOM 308 CE LYS A 24 4.441 1.883 -9.697 1.00 0.00 C ATOM 309 NZ LYS A 24 5.108 1.825 -11.027 1.00 0.00 N ATOM 0 H LYS A 24 8.346 4.090 -7.084 1.00 0.00 H new ATOM 0 HA LYS A 24 7.584 1.905 -5.250 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.490 0.866 -7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.613 2.154 -6.525 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.990 3.641 -8.316 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.937 2.131 -9.203 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.391 3.110 -7.935 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.966 3.939 -9.367 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.561 0.926 -9.189 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.371 2.039 -9.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.478 1.359 -11.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.318 2.790 -11.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.994 1.285 -10.948 1.00 0.00 H new ATOM 323 N LYS A 25 9.788 0.985 -5.962 1.00 0.00 N ATOM 324 CA LYS A 25 10.986 0.267 -6.380 1.00 0.00 C ATOM 325 C LYS A 25 10.636 -1.133 -6.876 1.00 0.00 C ATOM 326 O LYS A 25 11.277 -2.113 -6.499 1.00 0.00 O ATOM 327 CB LYS A 25 11.981 0.175 -5.221 1.00 0.00 C ATOM 328 CG LYS A 25 11.459 -0.613 -4.032 1.00 0.00 C ATOM 329 CD LYS A 25 12.460 -0.627 -2.889 1.00 0.00 C ATOM 330 CE LYS A 25 12.459 0.692 -2.132 1.00 0.00 C ATOM 331 NZ LYS A 25 13.730 0.904 -1.385 1.00 0.00 N ATOM 0 H LYS A 25 9.650 1.023 -4.952 1.00 0.00 H new ATOM 0 HA LYS A 25 11.443 0.820 -7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.900 -0.289 -5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.239 1.182 -4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.520 -0.177 -3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.242 -1.636 -4.339 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.221 -1.441 -2.204 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.458 -0.822 -3.280 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.309 1.513 -2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.621 0.710 -1.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.690 1.814 -0.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.861 0.134 -0.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.528 0.912 -2.052 1.00 0.00 H new ATOM 345 N ASN A 26 9.615 -1.217 -7.723 1.00 0.00 N ATOM 346 CA ASN A 26 9.181 -2.497 -8.271 1.00 0.00 C ATOM 347 C ASN A 26 9.047 -3.543 -7.169 1.00 0.00 C ATOM 348 O ASN A 26 9.490 -4.682 -7.322 1.00 0.00 O ATOM 349 CB ASN A 26 10.170 -2.983 -9.333 1.00 0.00 C ATOM 350 CG ASN A 26 11.607 -2.653 -8.979 1.00 0.00 C ATOM 351 OD1 ASN A 26 12.025 -1.497 -9.047 1.00 0.00 O ATOM 352 ND2 ASN A 26 12.371 -3.670 -8.598 1.00 0.00 N ATOM 0 H ASN A 26 9.073 -0.415 -8.044 1.00 0.00 H new ATOM 0 HA ASN A 26 8.204 -2.354 -8.732 1.00 0.00 H new ATOM 0 HB2 ASN A 26 10.067 -4.061 -9.455 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.921 -2.529 -10.292 1.00 0.00 H new ATOM 0 HD21 ASN A 26 13.346 -3.509 -8.347 1.00 0.00 H new ATOM 0 HD22 ASN A 26 11.982 -4.612 -8.556 1.00 0.00 H new ATOM 359 N ARG A 27 8.432 -3.149 -6.059 1.00 0.00 N ATOM 360 CA ARG A 27 8.239 -4.052 -4.930 1.00 0.00 C ATOM 361 C ARG A 27 6.794 -4.011 -4.441 1.00 0.00 C ATOM 362 O ARG A 27 6.145 -2.965 -4.478 1.00 0.00 O ATOM 363 CB ARG A 27 9.187 -3.684 -3.787 1.00 0.00 C ATOM 364 CG ARG A 27 10.524 -4.404 -3.848 1.00 0.00 C ATOM 365 CD ARG A 27 11.301 -4.247 -2.551 1.00 0.00 C ATOM 366 NE ARG A 27 12.745 -4.250 -2.774 1.00 0.00 N ATOM 367 CZ ARG A 27 13.472 -5.357 -2.864 1.00 0.00 C ATOM 368 NH1 ARG A 27 12.894 -6.545 -2.751 1.00 0.00 N ATOM 369 NH2 ARG A 27 14.781 -5.278 -3.068 1.00 0.00 N ATOM 0 H ARG A 27 8.059 -2.210 -5.917 1.00 0.00 H new ATOM 0 HA ARG A 27 8.462 -5.065 -5.265 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.362 -2.608 -3.804 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.704 -3.913 -2.837 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.359 -5.463 -4.049 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.113 -4.010 -4.676 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.011 -3.315 -2.065 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.038 -5.057 -1.870 1.00 0.00 H new ATOM 0 HE ARG A 27 13.220 -3.352 -2.866 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.888 -6.610 -2.595 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.455 -7.394 -2.821 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.229 -4.366 -3.156 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.339 -6.129 -3.137 1.00 0.00 H new ATOM 383 N CYS A 28 6.297 -5.155 -3.983 1.00 0.00 N ATOM 384 CA CYS A 28 4.930 -5.250 -3.486 1.00 0.00 C ATOM 385 C CYS A 28 4.627 -4.122 -2.505 1.00 0.00 C ATOM 386 O CYS A 28 5.517 -3.636 -1.806 1.00 0.00 O ATOM 387 CB CYS A 28 4.704 -6.604 -2.810 1.00 0.00 C ATOM 388 SG CYS A 28 2.957 -6.973 -2.451 1.00 0.00 S ATOM 0 H CYS A 28 6.821 -6.029 -3.946 1.00 0.00 H new ATOM 0 HA CYS A 28 4.254 -5.158 -4.336 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.106 -7.389 -3.450 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.269 -6.632 -1.878 1.00 0.00 H new ATOM 393 N PHE A 29 3.364 -3.710 -2.457 1.00 0.00 N ATOM 394 CA PHE A 29 2.943 -2.638 -1.562 1.00 0.00 C ATOM 395 C PHE A 29 2.312 -3.206 -0.294 1.00 0.00 C ATOM 396 O PHE A 29 1.816 -2.462 0.552 1.00 0.00 O ATOM 397 CB PHE A 29 1.950 -1.714 -2.270 1.00 0.00 C ATOM 398 CG PHE A 29 0.761 -1.353 -1.426 1.00 0.00 C ATOM 399 CD1 PHE A 29 -0.152 -2.322 -1.042 1.00 0.00 C ATOM 400 CD2 PHE A 29 0.556 -0.045 -1.018 1.00 0.00 C ATOM 401 CE1 PHE A 29 -1.247 -1.993 -0.265 1.00 0.00 C ATOM 402 CE2 PHE A 29 -0.537 0.289 -0.241 1.00 0.00 C ATOM 403 CZ PHE A 29 -1.440 -0.686 0.135 1.00 0.00 C ATOM 0 H PHE A 29 2.615 -4.102 -3.027 1.00 0.00 H new ATOM 0 HA PHE A 29 3.826 -2.064 -1.282 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.465 -0.801 -2.568 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.604 -2.197 -3.184 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.006 -3.346 -1.353 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.258 0.722 -1.310 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.951 -2.758 0.029 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.685 1.312 0.072 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.296 -0.426 0.741 1.00 0.00 H new ATOM 413 N MET A 30 2.335 -4.529 -0.170 1.00 0.00 N ATOM 414 CA MET A 30 1.766 -5.196 0.995 1.00 0.00 C ATOM 415 C MET A 30 2.840 -5.961 1.763 1.00 0.00 C ATOM 416 O MET A 30 2.937 -5.856 2.986 1.00 0.00 O ATOM 417 CB MET A 30 0.650 -6.152 0.567 1.00 0.00 C ATOM 418 CG MET A 30 0.377 -7.257 1.575 1.00 0.00 C ATOM 419 SD MET A 30 0.191 -6.634 3.256 1.00 0.00 S ATOM 420 CE MET A 30 -1.568 -6.859 3.508 1.00 0.00 C ATOM 0 H MET A 30 2.741 -5.160 -0.861 1.00 0.00 H new ATOM 0 HA MET A 30 1.349 -4.433 1.652 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.265 -5.582 0.409 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.915 -6.602 -0.390 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.529 -7.790 1.287 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.194 -7.978 1.547 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.800 -6.758 4.568 1.00 0.00 H new ATOM 0 HE2 MET A 30 -2.116 -6.105 2.943 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.861 -7.852 3.166 1.00 0.00 H new ATOM 430 N CYS A 31 3.644 -6.731 1.037 1.00 0.00 N ATOM 431 CA CYS A 31 4.710 -7.514 1.649 1.00 0.00 C ATOM 432 C CYS A 31 6.075 -6.900 1.351 1.00 0.00 C ATOM 433 O CYS A 31 7.062 -7.197 2.025 1.00 0.00 O ATOM 434 CB CYS A 31 4.667 -8.957 1.143 1.00 0.00 C ATOM 435 SG CYS A 31 4.973 -9.128 -0.644 1.00 0.00 S ATOM 0 H CYS A 31 3.577 -6.829 0.024 1.00 0.00 H new ATOM 0 HA CYS A 31 4.556 -7.510 2.728 1.00 0.00 H new ATOM 0 HB2 CYS A 31 5.409 -9.543 1.685 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.691 -9.383 1.376 1.00 0.00 H new ATOM 440 N ARG A 32 6.124 -6.042 0.337 1.00 0.00 N ATOM 441 CA ARG A 32 7.367 -5.387 -0.051 1.00 0.00 C ATOM 442 C ARG A 32 8.363 -6.399 -0.611 1.00 0.00 C ATOM 443 O ARG A 32 9.494 -6.502 -0.135 1.00 0.00 O ATOM 444 CB ARG A 32 7.981 -4.660 1.147 1.00 0.00 C ATOM 445 CG ARG A 32 7.022 -3.702 1.835 1.00 0.00 C ATOM 446 CD ARG A 32 6.579 -2.589 0.899 1.00 0.00 C ATOM 447 NE ARG A 32 6.294 -1.350 1.618 1.00 0.00 N ATOM 448 CZ ARG A 32 6.312 -0.150 1.049 1.00 0.00 C ATOM 449 NH1 ARG A 32 6.598 -0.027 -0.239 1.00 0.00 N ATOM 450 NH2 ARG A 32 6.041 0.931 1.770 1.00 0.00 N ATOM 0 H ARG A 32 5.317 -5.784 -0.231 1.00 0.00 H new ATOM 0 HA ARG A 32 7.137 -4.660 -0.830 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.326 -5.398 1.871 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.859 -4.106 0.814 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.149 -4.251 2.188 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.504 -3.271 2.712 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.357 -2.407 0.158 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.689 -2.905 0.355 1.00 0.00 H new ATOM 0 HE ARG A 32 6.069 -1.410 2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.805 -0.855 -0.797 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.611 0.896 -0.673 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.819 0.840 2.761 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.055 1.852 1.333 1.00 0.00 H new ATOM 464 N LYS A 33 7.935 -7.144 -1.624 1.00 0.00 N ATOM 465 CA LYS A 33 8.788 -8.147 -2.250 1.00 0.00 C ATOM 466 C LYS A 33 9.117 -7.761 -3.688 1.00 0.00 C ATOM 467 O LYS A 33 8.285 -7.190 -4.395 1.00 0.00 O ATOM 468 CB LYS A 33 8.104 -9.516 -2.222 1.00 0.00 C ATOM 469 CG LYS A 33 8.808 -10.565 -3.066 1.00 0.00 C ATOM 470 CD LYS A 33 7.905 -11.755 -3.344 1.00 0.00 C ATOM 471 CE LYS A 33 8.589 -12.775 -4.242 1.00 0.00 C ATOM 472 NZ LYS A 33 7.923 -14.106 -4.176 1.00 0.00 N ATOM 0 H LYS A 33 7.002 -7.072 -2.029 1.00 0.00 H new ATOM 0 HA LYS A 33 9.719 -8.200 -1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.052 -9.866 -1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.078 -9.407 -2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.127 -10.121 -4.009 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.708 -10.902 -2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.624 -12.228 -2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.984 -11.412 -3.816 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.582 -12.416 -5.271 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.633 -12.876 -3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.418 -14.773 -4.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.952 -14.461 -3.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.933 -14.014 -4.482 1.00 0.00 H new ATOM 486 N LYS A 34 10.334 -8.077 -4.117 1.00 0.00 N ATOM 487 CA LYS A 34 10.773 -7.765 -5.473 1.00 0.00 C ATOM 488 C LYS A 34 9.882 -8.451 -6.504 1.00 0.00 C ATOM 489 O LYS A 34 9.940 -9.669 -6.677 1.00 0.00 O ATOM 490 CB LYS A 34 12.227 -8.197 -5.672 1.00 0.00 C ATOM 491 CG LYS A 34 12.822 -7.740 -6.992 1.00 0.00 C ATOM 492 CD LYS A 34 13.218 -6.274 -6.948 1.00 0.00 C ATOM 493 CE LYS A 34 14.475 -6.061 -6.119 1.00 0.00 C ATOM 494 NZ LYS A 34 15.641 -6.797 -6.680 1.00 0.00 N ATOM 0 H LYS A 34 11.035 -8.549 -3.545 1.00 0.00 H new ATOM 0 HA LYS A 34 10.698 -6.687 -5.614 1.00 0.00 H new ATOM 0 HB2 LYS A 34 12.830 -7.801 -4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.286 -9.284 -5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.696 -8.347 -7.227 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.099 -7.899 -7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.384 -5.910 -7.962 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.401 -5.688 -6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.705 -4.996 -6.075 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.295 -6.391 -5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.522 -6.369 -6.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.598 -7.793 -6.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.618 -6.744 -7.718 1.00 0.00 H new ATOM 508 N VAL A 35 9.060 -7.662 -7.188 1.00 0.00 N ATOM 509 CA VAL A 35 8.160 -8.193 -8.204 1.00 0.00 C ATOM 510 C VAL A 35 8.699 -7.933 -9.606 1.00 0.00 C ATOM 511 O VAL A 35 8.604 -8.787 -10.487 1.00 0.00 O ATOM 512 CB VAL A 35 6.753 -7.576 -8.085 1.00 0.00 C ATOM 513 CG1 VAL A 35 6.233 -7.703 -6.662 1.00 0.00 C ATOM 514 CG2 VAL A 35 6.771 -6.121 -8.527 1.00 0.00 C ATOM 0 H VAL A 35 8.999 -6.652 -7.057 1.00 0.00 H new ATOM 0 HA VAL A 35 8.093 -9.268 -8.037 1.00 0.00 H new ATOM 0 HB VAL A 35 6.078 -8.124 -8.743 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.238 -7.262 -6.597 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.181 -8.756 -6.386 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.906 -7.182 -5.981 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.769 -5.701 -8.437 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.459 -5.558 -7.897 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.098 -6.060 -9.565 1.00 0.00 H new ATOM 524 N GLY A 36 9.267 -6.747 -9.806 1.00 0.00 N ATOM 525 CA GLY A 36 9.814 -6.396 -11.104 1.00 0.00 C ATOM 526 C GLY A 36 8.818 -6.599 -12.228 1.00 0.00 C ATOM 527 O GLY A 36 7.933 -5.769 -12.441 1.00 0.00 O ATOM 0 H GLY A 36 9.358 -6.024 -9.093 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.134 -5.354 -11.090 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.701 -6.999 -11.296 1.00 0.00 H new ATOM 531 N LEU A 37 8.960 -7.705 -12.950 1.00 0.00 N ATOM 532 CA LEU A 37 8.066 -8.015 -14.060 1.00 0.00 C ATOM 533 C LEU A 37 6.807 -8.718 -13.564 1.00 0.00 C ATOM 534 O LEU A 37 5.728 -8.561 -14.137 1.00 0.00 O ATOM 535 CB LEU A 37 8.783 -8.891 -15.089 1.00 0.00 C ATOM 536 CG LEU A 37 9.815 -8.186 -15.969 1.00 0.00 C ATOM 537 CD1 LEU A 37 9.129 -7.243 -16.945 1.00 0.00 C ATOM 538 CD2 LEU A 37 10.820 -7.431 -15.111 1.00 0.00 C ATOM 0 H LEU A 37 9.686 -8.402 -12.786 1.00 0.00 H new ATOM 0 HA LEU A 37 7.774 -7.077 -14.532 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.281 -9.704 -14.560 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.032 -9.344 -15.736 1.00 0.00 H new ATOM 0 HG LEU A 37 10.352 -8.941 -16.543 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.879 -6.750 -17.563 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.450 -7.810 -17.582 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.566 -6.492 -16.391 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.547 -6.935 -15.754 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.298 -6.686 -14.511 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.335 -8.131 -14.453 1.00 0.00 H new ATOM 550 N THR A 38 6.950 -9.494 -12.495 1.00 0.00 N ATOM 551 CA THR A 38 5.825 -10.221 -11.921 1.00 0.00 C ATOM 552 C THR A 38 5.016 -9.332 -10.983 1.00 0.00 C ATOM 553 O THR A 38 4.508 -9.791 -9.962 1.00 0.00 O ATOM 554 CB THR A 38 6.296 -11.468 -11.148 1.00 0.00 C ATOM 555 OG1 THR A 38 7.174 -11.082 -10.085 1.00 0.00 O ATOM 556 CG2 THR A 38 7.010 -12.441 -12.075 1.00 0.00 C ATOM 0 H THR A 38 7.835 -9.635 -12.008 1.00 0.00 H new ATOM 0 HA THR A 38 5.195 -10.535 -12.753 1.00 0.00 H new ATOM 0 HB THR A 38 5.419 -11.964 -10.732 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.528 -10.185 -10.262 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.334 -13.313 -11.507 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.330 -12.755 -12.867 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.879 -11.952 -12.516 1.00 0.00 H new ATOM 564 N GLY A 39 4.901 -8.055 -11.338 1.00 0.00 N ATOM 565 CA GLY A 39 4.152 -7.122 -10.518 1.00 0.00 C ATOM 566 C GLY A 39 2.672 -7.121 -10.845 1.00 0.00 C ATOM 567 O GLY A 39 2.270 -7.511 -11.941 1.00 0.00 O ATOM 0 H GLY A 39 5.313 -7.651 -12.179 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.288 -7.376 -9.467 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.552 -6.118 -10.658 1.00 0.00 H new ATOM 571 N PHE A 40 1.857 -6.683 -9.890 1.00 0.00 N ATOM 572 CA PHE A 40 0.412 -6.635 -10.081 1.00 0.00 C ATOM 573 C PHE A 40 -0.141 -5.264 -9.705 1.00 0.00 C ATOM 574 O PHE A 40 -0.009 -4.820 -8.564 1.00 0.00 O ATOM 575 CB PHE A 40 -0.270 -7.720 -9.245 1.00 0.00 C ATOM 576 CG PHE A 40 -1.382 -8.424 -9.969 1.00 0.00 C ATOM 577 CD1 PHE A 40 -2.669 -7.910 -9.956 1.00 0.00 C ATOM 578 CD2 PHE A 40 -1.141 -9.599 -10.662 1.00 0.00 C ATOM 579 CE1 PHE A 40 -3.695 -8.556 -10.620 1.00 0.00 C ATOM 580 CE2 PHE A 40 -2.162 -10.249 -11.329 1.00 0.00 C ATOM 581 CZ PHE A 40 -3.441 -9.726 -11.308 1.00 0.00 C ATOM 0 H PHE A 40 2.173 -6.357 -8.977 1.00 0.00 H new ATOM 0 HA PHE A 40 0.204 -6.814 -11.136 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.475 -8.454 -8.939 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.667 -7.270 -8.335 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.873 -6.994 -9.421 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.143 -10.012 -10.681 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.694 -8.146 -10.601 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.961 -11.164 -11.866 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.241 -10.232 -11.829 1.00 0.00 H new ATOM 591 N ASP A 41 -0.761 -4.597 -10.673 1.00 0.00 N ATOM 592 CA ASP A 41 -1.335 -3.276 -10.445 1.00 0.00 C ATOM 593 C ASP A 41 -2.808 -3.383 -10.062 1.00 0.00 C ATOM 594 O ASP A 41 -3.649 -3.751 -10.883 1.00 0.00 O ATOM 595 CB ASP A 41 -1.182 -2.407 -11.694 1.00 0.00 C ATOM 596 CG ASP A 41 0.270 -2.116 -12.022 1.00 0.00 C ATOM 597 OD1 ASP A 41 1.026 -1.753 -11.097 1.00 0.00 O ATOM 598 OD2 ASP A 41 0.649 -2.253 -13.203 1.00 0.00 O ATOM 0 H ASP A 41 -0.879 -4.950 -11.623 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.796 -2.810 -9.620 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.650 -2.908 -12.541 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.714 -1.467 -11.547 1.00 0.00 H new ATOM 603 N CYS A 42 -3.114 -3.059 -8.810 1.00 0.00 N ATOM 604 CA CYS A 42 -4.484 -3.120 -8.317 1.00 0.00 C ATOM 605 C CYS A 42 -5.259 -1.864 -8.707 1.00 0.00 C ATOM 606 O CYS A 42 -4.675 -0.876 -9.152 1.00 0.00 O ATOM 607 CB CYS A 42 -4.494 -3.287 -6.796 1.00 0.00 C ATOM 608 SG CYS A 42 -6.128 -3.700 -6.104 1.00 0.00 S ATOM 0 H CYS A 42 -2.431 -2.751 -8.118 1.00 0.00 H new ATOM 0 HA CYS A 42 -4.970 -3.982 -8.774 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.787 -4.070 -6.523 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.140 -2.364 -6.337 1.00 0.00 H new ATOM 613 N ARG A 43 -6.576 -1.911 -8.537 1.00 0.00 N ATOM 614 CA ARG A 43 -7.431 -0.779 -8.872 1.00 0.00 C ATOM 615 C ARG A 43 -7.220 0.370 -7.890 1.00 0.00 C ATOM 616 O ARG A 43 -7.389 1.539 -8.239 1.00 0.00 O ATOM 617 CB ARG A 43 -8.900 -1.203 -8.869 1.00 0.00 C ATOM 618 CG ARG A 43 -9.192 -2.392 -9.769 1.00 0.00 C ATOM 619 CD ARG A 43 -9.290 -1.976 -11.229 1.00 0.00 C ATOM 620 NE ARG A 43 -9.912 -3.009 -12.052 1.00 0.00 N ATOM 621 CZ ARG A 43 -9.704 -3.131 -13.359 1.00 0.00 C ATOM 622 NH1 ARG A 43 -8.895 -2.289 -13.986 1.00 0.00 N ATOM 623 NH2 ARG A 43 -10.307 -4.098 -14.040 1.00 0.00 N ATOM 0 H ARG A 43 -7.074 -2.721 -8.169 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.162 -0.435 -9.871 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.197 -1.448 -7.849 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.514 -0.359 -9.185 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.406 -3.138 -9.654 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.125 -2.863 -9.460 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.868 -1.055 -11.305 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.293 -1.759 -11.612 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.540 -3.673 -11.599 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.430 -1.545 -13.465 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.737 -2.385 -14.989 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.930 -4.748 -13.560 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.147 -4.191 -15.043 1.00 0.00 H new ATOM 637 N CYS A 44 -6.851 0.030 -6.659 1.00 0.00 N ATOM 638 CA CYS A 44 -6.618 1.032 -5.626 1.00 0.00 C ATOM 639 C CYS A 44 -5.377 1.861 -5.942 1.00 0.00 C ATOM 640 O CYS A 44 -5.019 2.771 -5.195 1.00 0.00 O ATOM 641 CB CYS A 44 -6.462 0.359 -4.261 1.00 0.00 C ATOM 642 SG CYS A 44 -4.989 -0.704 -4.120 1.00 0.00 S ATOM 0 H CYS A 44 -6.707 -0.932 -6.353 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.480 1.698 -5.599 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.416 1.129 -3.491 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -7.350 -0.240 -4.060 1.00 0.00 H new ATOM 647 N GLY A 45 -4.724 1.539 -7.055 1.00 0.00 N ATOM 648 CA GLY A 45 -3.531 2.263 -7.450 1.00 0.00 C ATOM 649 C GLY A 45 -2.308 1.840 -6.661 1.00 0.00 C ATOM 650 O GLY A 45 -1.546 2.681 -6.187 1.00 0.00 O ATOM 0 H GLY A 45 -5.000 0.790 -7.689 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.347 2.103 -8.512 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.696 3.332 -7.313 1.00 0.00 H new ATOM 654 N ASN A 46 -2.120 0.532 -6.519 1.00 0.00 N ATOM 655 CA ASN A 46 -0.982 -0.001 -5.780 1.00 0.00 C ATOM 656 C ASN A 46 -0.332 -1.154 -6.539 1.00 0.00 C ATOM 657 O ASN A 46 -0.867 -1.633 -7.540 1.00 0.00 O ATOM 658 CB ASN A 46 -1.424 -0.474 -4.393 1.00 0.00 C ATOM 659 CG ASN A 46 -1.409 0.644 -3.369 1.00 0.00 C ATOM 660 OD1 ASN A 46 -0.512 1.488 -3.368 1.00 0.00 O ATOM 661 ND2 ASN A 46 -2.405 0.656 -2.491 1.00 0.00 N ATOM 0 H ASN A 46 -2.741 -0.178 -6.906 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.248 0.797 -5.668 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.429 -0.890 -4.457 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.767 -1.277 -4.060 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.448 1.385 -1.779 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.127 -0.063 -2.529 1.00 0.00 H new ATOM 668 N LEU A 47 0.824 -1.596 -6.056 1.00 0.00 N ATOM 669 CA LEU A 47 1.548 -2.694 -6.688 1.00 0.00 C ATOM 670 C LEU A 47 1.608 -3.908 -5.767 1.00 0.00 C ATOM 671 O LEU A 47 1.846 -3.779 -4.566 1.00 0.00 O ATOM 672 CB LEU A 47 2.964 -2.250 -7.059 1.00 0.00 C ATOM 673 CG LEU A 47 3.936 -3.365 -7.448 1.00 0.00 C ATOM 674 CD1 LEU A 47 3.506 -4.016 -8.753 1.00 0.00 C ATOM 675 CD2 LEU A 47 5.353 -2.821 -7.562 1.00 0.00 C ATOM 0 H LEU A 47 1.280 -1.211 -5.229 1.00 0.00 H new ATOM 0 HA LEU A 47 1.013 -2.976 -7.595 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.897 -1.547 -7.890 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.386 -1.706 -6.214 1.00 0.00 H new ATOM 0 HG LEU A 47 3.921 -4.124 -6.666 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.209 -4.807 -9.014 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.509 -4.441 -8.636 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.491 -3.268 -9.545 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.031 -3.628 -7.839 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.384 -2.043 -8.325 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.660 -2.402 -6.604 1.00 0.00 H new ATOM 687 N PHE A 48 1.392 -5.089 -6.338 1.00 0.00 N ATOM 688 CA PHE A 48 1.423 -6.327 -5.569 1.00 0.00 C ATOM 689 C PHE A 48 2.202 -7.409 -6.311 1.00 0.00 C ATOM 690 O PHE A 48 2.305 -7.385 -7.538 1.00 0.00 O ATOM 691 CB PHE A 48 -0.001 -6.811 -5.285 1.00 0.00 C ATOM 692 CG PHE A 48 -0.846 -5.800 -4.565 1.00 0.00 C ATOM 693 CD1 PHE A 48 -1.490 -4.792 -5.265 1.00 0.00 C ATOM 694 CD2 PHE A 48 -0.997 -5.857 -3.189 1.00 0.00 C ATOM 695 CE1 PHE A 48 -2.268 -3.860 -4.605 1.00 0.00 C ATOM 696 CE2 PHE A 48 -1.774 -4.928 -2.523 1.00 0.00 C ATOM 697 CZ PHE A 48 -2.411 -3.928 -3.232 1.00 0.00 C ATOM 0 H PHE A 48 1.194 -5.214 -7.331 1.00 0.00 H new ATOM 0 HA PHE A 48 1.927 -6.126 -4.623 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.483 -7.070 -6.228 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.046 -7.723 -4.690 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.383 -4.734 -6.338 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.501 -6.637 -2.630 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.764 -3.079 -5.162 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.883 -4.984 -1.450 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.019 -3.201 -2.715 1.00 0.00 H new ATOM 707 N CYS A 49 2.750 -8.357 -5.557 1.00 0.00 N ATOM 708 CA CYS A 49 3.521 -9.448 -6.141 1.00 0.00 C ATOM 709 C CYS A 49 2.603 -10.574 -6.607 1.00 0.00 C ATOM 710 O CYS A 49 3.026 -11.723 -6.728 1.00 0.00 O ATOM 711 CB CYS A 49 4.532 -9.985 -5.127 1.00 0.00 C ATOM 712 SG CYS A 49 3.776 -10.718 -3.640 1.00 0.00 S ATOM 0 H CYS A 49 2.674 -8.391 -4.540 1.00 0.00 H new ATOM 0 HA CYS A 49 4.057 -9.059 -7.007 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.154 -10.736 -5.613 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.192 -9.173 -4.823 1.00 0.00 H new ATOM 717 N GLY A 50 1.344 -10.236 -6.866 1.00 0.00 N ATOM 718 CA GLY A 50 0.386 -11.229 -7.315 1.00 0.00 C ATOM 719 C GLY A 50 -0.158 -12.067 -6.175 1.00 0.00 C ATOM 720 O GLY A 50 -1.290 -12.550 -6.234 1.00 0.00 O ATOM 0 H GLY A 50 0.970 -9.292 -6.773 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.440 -10.730 -7.821 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.860 -11.882 -8.048 1.00 0.00 H new ATOM 724 N LEU A 51 0.649 -12.243 -5.135 1.00 0.00 N ATOM 725 CA LEU A 51 0.244 -13.031 -3.976 1.00 0.00 C ATOM 726 C LEU A 51 -0.779 -12.274 -3.134 1.00 0.00 C ATOM 727 O LEU A 51 -1.570 -12.877 -2.409 1.00 0.00 O ATOM 728 CB LEU A 51 1.463 -13.384 -3.122 1.00 0.00 C ATOM 729 CG LEU A 51 2.624 -14.056 -3.856 1.00 0.00 C ATOM 730 CD1 LEU A 51 3.951 -13.672 -3.220 1.00 0.00 C ATOM 731 CD2 LEU A 51 2.449 -15.568 -3.858 1.00 0.00 C ATOM 0 H LEU A 51 1.588 -11.851 -5.070 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.217 -13.950 -4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.833 -12.470 -2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.139 -14.043 -2.316 1.00 0.00 H new ATOM 0 HG LEU A 51 2.626 -13.709 -4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.766 -14.160 -3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.079 -12.591 -3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.960 -13.990 -2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.284 -16.030 -4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.421 -15.932 -2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.516 -15.826 -4.360 1.00 0.00 H new ATOM 743 N HIS A 52 -0.759 -10.949 -3.238 1.00 0.00 N ATOM 744 CA HIS A 52 -1.686 -10.109 -2.488 1.00 0.00 C ATOM 745 C HIS A 52 -2.586 -9.317 -3.431 1.00 0.00 C ATOM 746 O HIS A 52 -3.507 -8.628 -2.993 1.00 0.00 O ATOM 747 CB HIS A 52 -0.918 -9.153 -1.575 1.00 0.00 C ATOM 748 CG HIS A 52 -0.104 -9.849 -0.528 1.00 0.00 C ATOM 749 ND1 HIS A 52 1.263 -10.006 -0.619 1.00 0.00 N ATOM 750 CD2 HIS A 52 -0.471 -10.429 0.638 1.00 0.00 C ATOM 751 CE1 HIS A 52 1.701 -10.655 0.446 1.00 0.00 C ATOM 752 NE2 HIS A 52 0.669 -10.922 1.224 1.00 0.00 N ATOM 0 H HIS A 52 -0.111 -10.434 -3.834 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.312 -10.759 -1.876 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.259 -8.533 -2.183 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.626 -8.482 -1.087 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.474 -10.492 1.034 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.728 -10.921 0.645 1.00 0.00 H new ATOM 0 HE2 HIS A 52 0.711 -11.415 2.116 1.00 0.00 H new ATOM 760 N ARG A 53 -2.313 -9.421 -4.728 1.00 0.00 N ATOM 761 CA ARG A 53 -3.097 -8.713 -5.733 1.00 0.00 C ATOM 762 C ARG A 53 -4.574 -8.685 -5.350 1.00 0.00 C ATOM 763 O ARG A 53 -5.213 -7.632 -5.376 1.00 0.00 O ATOM 764 CB ARG A 53 -2.927 -9.373 -7.102 1.00 0.00 C ATOM 765 CG ARG A 53 -3.475 -10.790 -7.167 1.00 0.00 C ATOM 766 CD ARG A 53 -3.041 -11.496 -8.442 1.00 0.00 C ATOM 767 NE ARG A 53 -3.871 -12.663 -8.730 1.00 0.00 N ATOM 768 CZ ARG A 53 -5.127 -12.585 -9.155 1.00 0.00 C ATOM 769 NH1 ARG A 53 -5.695 -11.401 -9.341 1.00 0.00 N ATOM 770 NH2 ARG A 53 -5.818 -13.692 -9.396 1.00 0.00 N ATOM 0 H ARG A 53 -1.555 -9.989 -5.107 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.733 -7.687 -5.784 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.428 -8.764 -7.854 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.868 -9.390 -7.359 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.130 -11.355 -6.301 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.564 -10.763 -7.117 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.093 -10.799 -9.278 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.000 -11.805 -8.349 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.464 -13.589 -8.597 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.167 -10.548 -9.158 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.660 -11.344 -9.667 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.385 -14.605 -9.255 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.782 -13.630 -9.722 1.00 0.00 H new ATOM 784 N TYR A 54 -5.109 -9.847 -4.995 1.00 0.00 N ATOM 785 CA TYR A 54 -6.511 -9.957 -4.609 1.00 0.00 C ATOM 786 C TYR A 54 -6.909 -8.820 -3.673 1.00 0.00 C ATOM 787 O TYR A 54 -6.075 -8.277 -2.948 1.00 0.00 O ATOM 788 CB TYR A 54 -6.772 -11.304 -3.934 1.00 0.00 C ATOM 789 CG TYR A 54 -6.309 -12.490 -4.749 1.00 0.00 C ATOM 790 CD1 TYR A 54 -4.983 -12.905 -4.717 1.00 0.00 C ATOM 791 CD2 TYR A 54 -7.197 -13.196 -5.551 1.00 0.00 C ATOM 792 CE1 TYR A 54 -4.556 -13.987 -5.461 1.00 0.00 C ATOM 793 CE2 TYR A 54 -6.778 -14.281 -6.298 1.00 0.00 C ATOM 794 CZ TYR A 54 -5.457 -14.672 -6.250 1.00 0.00 C ATOM 795 OH TYR A 54 -5.035 -15.752 -6.991 1.00 0.00 O ATOM 0 H TYR A 54 -4.593 -10.727 -4.966 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.117 -9.888 -5.513 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.269 -11.320 -2.967 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.840 -11.402 -3.739 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.275 -12.372 -4.100 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.233 -12.892 -5.592 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -3.522 -14.296 -5.425 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.482 -14.819 -6.916 1.00 0.00 H new ATOM 0 HH TYR A 54 -5.793 -16.122 -7.490 1.00 0.00 H new ATOM 805 N SER A 55 -8.190 -8.466 -3.693 1.00 0.00 N ATOM 806 CA SER A 55 -8.700 -7.392 -2.849 1.00 0.00 C ATOM 807 C SER A 55 -8.903 -7.877 -1.416 1.00 0.00 C ATOM 808 O SER A 55 -8.767 -7.109 -0.464 1.00 0.00 O ATOM 809 CB SER A 55 -10.019 -6.857 -3.409 1.00 0.00 C ATOM 810 OG SER A 55 -10.878 -7.917 -3.792 1.00 0.00 O ATOM 0 H SER A 55 -8.894 -8.908 -4.285 1.00 0.00 H new ATOM 0 HA SER A 55 -7.964 -6.588 -2.842 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.512 -6.238 -2.659 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.820 -6.217 -4.269 1.00 0.00 H new ATOM 0 HG SER A 55 -11.141 -7.803 -4.729 1.00 0.00 H new ATOM 816 N ASP A 56 -9.228 -9.157 -1.272 1.00 0.00 N ATOM 817 CA ASP A 56 -9.448 -9.746 0.043 1.00 0.00 C ATOM 818 C ASP A 56 -8.155 -10.333 0.600 1.00 0.00 C ATOM 819 O ASP A 56 -8.177 -11.170 1.502 1.00 0.00 O ATOM 820 CB ASP A 56 -10.523 -10.832 -0.034 1.00 0.00 C ATOM 821 CG ASP A 56 -11.822 -10.319 -0.624 1.00 0.00 C ATOM 822 OD1 ASP A 56 -12.223 -9.186 -0.282 1.00 0.00 O ATOM 823 OD2 ASP A 56 -12.437 -11.050 -1.428 1.00 0.00 O ATOM 0 H ASP A 56 -9.345 -9.806 -2.050 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.786 -8.957 0.714 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.155 -11.661 -0.638 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.711 -11.225 0.965 1.00 0.00 H new ATOM 828 N LYS A 57 -7.027 -9.889 0.054 1.00 0.00 N ATOM 829 CA LYS A 57 -5.723 -10.369 0.495 1.00 0.00 C ATOM 830 C LYS A 57 -4.938 -9.257 1.182 1.00 0.00 C ATOM 831 O LYS A 57 -4.289 -9.481 2.204 1.00 0.00 O ATOM 832 CB LYS A 57 -4.927 -10.910 -0.695 1.00 0.00 C ATOM 833 CG LYS A 57 -5.282 -12.340 -1.065 1.00 0.00 C ATOM 834 CD LYS A 57 -4.811 -13.323 -0.006 1.00 0.00 C ATOM 835 CE LYS A 57 -5.347 -14.722 -0.267 1.00 0.00 C ATOM 836 NZ LYS A 57 -4.988 -15.667 0.827 1.00 0.00 N ATOM 0 H LYS A 57 -6.990 -9.197 -0.695 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.883 -11.173 1.213 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.098 -10.267 -1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.863 -10.857 -0.464 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.361 -12.427 -1.190 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.829 -12.592 -2.024 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.721 -13.347 0.011 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.138 -12.985 0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.431 -14.682 -0.371 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.950 -15.093 -1.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.372 -16.609 0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.953 -15.725 0.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.389 -15.327 1.725 1.00 0.00 H new ATOM 850 N HIS A 58 -5.002 -8.056 0.615 1.00 0.00 N ATOM 851 CA HIS A 58 -4.298 -6.908 1.175 1.00 0.00 C ATOM 852 C HIS A 58 -5.284 -5.869 1.700 1.00 0.00 C ATOM 853 O HIS A 58 -4.933 -4.705 1.887 1.00 0.00 O ATOM 854 CB HIS A 58 -3.388 -6.277 0.121 1.00 0.00 C ATOM 855 CG HIS A 58 -4.133 -5.569 -0.968 1.00 0.00 C ATOM 856 ND1 HIS A 58 -4.174 -6.021 -2.270 1.00 0.00 N ATOM 857 CD2 HIS A 58 -4.871 -4.434 -0.942 1.00 0.00 C ATOM 858 CE1 HIS A 58 -4.904 -5.195 -2.998 1.00 0.00 C ATOM 859 NE2 HIS A 58 -5.339 -4.224 -2.216 1.00 0.00 N ATOM 0 H HIS A 58 -5.534 -7.853 -0.231 1.00 0.00 H new ATOM 0 HA HIS A 58 -3.688 -7.258 2.008 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.716 -5.571 0.609 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -2.766 -7.055 -0.322 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -3.713 -6.862 -2.617 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.057 -3.810 -0.080 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -5.110 -5.297 -4.053 1.00 0.00 H new ATOM 867 N ASN A 59 -6.520 -6.298 1.933 1.00 0.00 N ATOM 868 CA ASN A 59 -7.558 -5.404 2.435 1.00 0.00 C ATOM 869 C ASN A 59 -7.734 -4.203 1.511 1.00 0.00 C ATOM 870 O ASN A 59 -7.732 -3.056 1.959 1.00 0.00 O ATOM 871 CB ASN A 59 -7.212 -4.929 3.848 1.00 0.00 C ATOM 872 CG ASN A 59 -6.907 -6.081 4.786 1.00 0.00 C ATOM 873 OD1 ASN A 59 -7.739 -6.461 5.611 1.00 0.00 O ATOM 874 ND2 ASN A 59 -5.710 -6.642 4.666 1.00 0.00 N ATOM 0 H ASN A 59 -6.828 -7.259 1.782 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.497 -5.958 2.465 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.351 -4.262 3.804 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.044 -4.349 4.247 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.449 -7.420 5.271 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.052 -6.295 3.968 1.00 0.00 H new ATOM 881 N CYS A 60 -7.887 -4.474 0.219 1.00 0.00 N ATOM 882 CA CYS A 60 -8.065 -3.417 -0.768 1.00 0.00 C ATOM 883 C CYS A 60 -9.219 -2.498 -0.379 1.00 0.00 C ATOM 884 O CYS A 60 -10.364 -2.926 -0.230 1.00 0.00 O ATOM 885 CB CYS A 60 -8.323 -4.020 -2.151 1.00 0.00 C ATOM 886 SG CYS A 60 -8.287 -2.808 -3.510 1.00 0.00 S ATOM 0 H CYS A 60 -7.891 -5.418 -0.168 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.149 -2.827 -0.801 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.576 -4.789 -2.345 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -9.295 -4.514 -2.145 1.00 0.00 H new ATOM 891 N PRO A 61 -8.913 -1.203 -0.211 1.00 0.00 N ATOM 892 CA PRO A 61 -9.910 -0.195 0.162 1.00 0.00 C ATOM 893 C PRO A 61 -10.901 0.084 -0.963 1.00 0.00 C ATOM 894 O PRO A 61 -12.068 0.388 -0.715 1.00 0.00 O ATOM 895 CB PRO A 61 -9.067 1.048 0.453 1.00 0.00 C ATOM 896 CG PRO A 61 -7.825 0.859 -0.347 1.00 0.00 C ATOM 897 CD PRO A 61 -7.569 -0.622 -0.372 1.00 0.00 C ATOM 0 HA PRO A 61 -10.521 -0.519 1.005 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.591 1.959 0.162 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.844 1.135 1.516 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.948 1.251 -1.357 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -6.987 1.392 0.102 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.106 -0.934 -1.308 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.900 -0.928 0.432 1.00 0.00 H new ATOM 905 N TYR A 62 -10.428 -0.020 -2.200 1.00 0.00 N ATOM 906 CA TYR A 62 -11.272 0.223 -3.364 1.00 0.00 C ATOM 907 C TYR A 62 -12.623 -0.468 -3.212 1.00 0.00 C ATOM 908 O TYR A 62 -12.816 -1.289 -2.314 1.00 0.00 O ATOM 909 CB TYR A 62 -10.577 -0.266 -4.636 1.00 0.00 C ATOM 910 CG TYR A 62 -10.616 0.734 -5.770 1.00 0.00 C ATOM 911 CD1 TYR A 62 -10.202 2.046 -5.579 1.00 0.00 C ATOM 912 CD2 TYR A 62 -11.067 0.366 -7.031 1.00 0.00 C ATOM 913 CE1 TYR A 62 -10.236 2.963 -6.612 1.00 0.00 C ATOM 914 CE2 TYR A 62 -11.104 1.276 -8.070 1.00 0.00 C ATOM 915 CZ TYR A 62 -10.688 2.573 -7.855 1.00 0.00 C ATOM 916 OH TYR A 62 -10.724 3.483 -8.887 1.00 0.00 O ATOM 0 H TYR A 62 -9.465 -0.271 -2.423 1.00 0.00 H new ATOM 0 HA TYR A 62 -11.440 1.297 -3.440 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.538 -0.500 -4.405 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -11.048 -1.193 -4.964 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -9.848 2.355 -4.607 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -11.394 -0.649 -7.202 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.910 3.979 -6.447 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -11.457 0.973 -9.045 1.00 0.00 H new ATOM 0 HH TYR A 62 -11.067 3.048 -9.695 1.00 0.00 H new ATOM 926 N ASP A 63 -13.556 -0.132 -4.096 1.00 0.00 N ATOM 927 CA ASP A 63 -14.889 -0.721 -4.062 1.00 0.00 C ATOM 928 C ASP A 63 -15.338 -1.130 -5.462 1.00 0.00 C ATOM 929 O ASP A 63 -16.475 -1.559 -5.660 1.00 0.00 O ATOM 930 CB ASP A 63 -15.891 0.266 -3.460 1.00 0.00 C ATOM 931 CG ASP A 63 -16.045 0.093 -1.962 1.00 0.00 C ATOM 932 OD1 ASP A 63 -15.052 -0.280 -1.302 1.00 0.00 O ATOM 933 OD2 ASP A 63 -17.157 0.331 -1.449 1.00 0.00 O ATOM 0 H ASP A 63 -13.413 0.545 -4.845 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.849 -1.613 -3.437 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -15.567 1.284 -3.674 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -16.861 0.133 -3.940 1.00 0.00 H new ATOM 938 N TYR A 64 -14.438 -0.993 -6.429 1.00 0.00 N ATOM 939 CA TYR A 64 -14.743 -1.345 -7.811 1.00 0.00 C ATOM 940 C TYR A 64 -15.703 -2.529 -7.873 1.00 0.00 C ATOM 941 O TYR A 64 -16.546 -2.614 -8.766 1.00 0.00 O ATOM 942 CB TYR A 64 -13.457 -1.676 -8.570 1.00 0.00 C ATOM 943 CG TYR A 64 -12.750 -2.910 -8.055 1.00 0.00 C ATOM 944 CD1 TYR A 64 -12.256 -2.960 -6.757 1.00 0.00 C ATOM 945 CD2 TYR A 64 -12.578 -4.025 -8.865 1.00 0.00 C ATOM 946 CE1 TYR A 64 -11.609 -4.085 -6.283 1.00 0.00 C ATOM 947 CE2 TYR A 64 -11.934 -5.155 -8.398 1.00 0.00 C ATOM 948 CZ TYR A 64 -11.450 -5.179 -7.107 1.00 0.00 C ATOM 949 OH TYR A 64 -10.808 -6.302 -6.637 1.00 0.00 O ATOM 0 H TYR A 64 -13.492 -0.641 -6.282 1.00 0.00 H new ATOM 0 HA TYR A 64 -15.224 -0.487 -8.280 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -13.694 -1.817 -9.625 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -12.778 -0.825 -8.506 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -12.380 -2.106 -6.108 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -12.954 -4.009 -9.877 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -11.230 -4.107 -5.272 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -11.810 -6.014 -9.040 1.00 0.00 H new ATOM 0 HH TYR A 64 -10.781 -6.982 -7.342 1.00 0.00 H new ATOM 959 N LYS A 65 -15.568 -3.442 -6.917 1.00 0.00 N ATOM 960 CA LYS A 65 -16.423 -4.621 -6.859 1.00 0.00 C ATOM 961 C LYS A 65 -17.880 -4.251 -7.119 1.00 0.00 C ATOM 962 O LYS A 65 -18.480 -4.700 -8.095 1.00 0.00 O ATOM 963 CB LYS A 65 -16.295 -5.303 -5.495 1.00 0.00 C ATOM 964 CG LYS A 65 -14.893 -5.241 -4.914 1.00 0.00 C ATOM 965 CD LYS A 65 -14.603 -6.442 -4.028 1.00 0.00 C ATOM 966 CE LYS A 65 -15.262 -6.301 -2.665 1.00 0.00 C ATOM 967 NZ LYS A 65 -14.548 -7.087 -1.620 1.00 0.00 N ATOM 0 H LYS A 65 -14.874 -3.388 -6.171 1.00 0.00 H new ATOM 0 HA LYS A 65 -16.098 -5.312 -7.636 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -16.990 -4.835 -4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -16.594 -6.347 -5.590 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.164 -5.200 -5.723 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.778 -4.324 -4.335 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.961 -7.349 -4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.526 -6.552 -3.903 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -15.282 -5.250 -2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -16.298 -6.635 -2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -15.028 -6.965 -0.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.551 -8.094 -1.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.566 -6.752 -1.544 1.00 0.00 H new ATOM 981 N ALA A 66 -18.442 -3.427 -6.240 1.00 0.00 N ATOM 982 CA ALA A 66 -19.827 -2.994 -6.377 1.00 0.00 C ATOM 983 C ALA A 66 -19.938 -1.799 -7.318 1.00 0.00 C ATOM 984 O ALA A 66 -20.733 -0.889 -7.089 1.00 0.00 O ATOM 985 CB ALA A 66 -20.410 -2.650 -5.014 1.00 0.00 C ATOM 0 H ALA A 66 -17.959 -3.046 -5.426 1.00 0.00 H new ATOM 0 HA ALA A 66 -20.398 -3.817 -6.807 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -21.445 -2.328 -5.132 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -20.374 -3.529 -4.371 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -19.829 -1.846 -4.562 1.00 0.00 H new ATOM 991 N GLU A 67 -19.134 -1.809 -8.377 1.00 0.00 N ATOM 992 CA GLU A 67 -19.142 -0.724 -9.352 1.00 0.00 C ATOM 993 C GLU A 67 -20.063 -1.053 -10.524 1.00 0.00 C ATOM 994 O GLU A 67 -20.880 -0.229 -10.934 1.00 0.00 O ATOM 995 CB GLU A 67 -17.725 -0.457 -9.862 1.00 0.00 C ATOM 996 CG GLU A 67 -17.570 0.888 -10.552 1.00 0.00 C ATOM 997 CD GLU A 67 -18.090 0.875 -11.977 1.00 0.00 C ATOM 998 OE1 GLU A 67 -18.116 -0.213 -12.589 1.00 0.00 O ATOM 999 OE2 GLU A 67 -18.470 1.953 -12.480 1.00 0.00 O ATOM 0 H GLU A 67 -18.470 -2.555 -8.582 1.00 0.00 H new ATOM 0 HA GLU A 67 -19.517 0.172 -8.858 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.030 -0.508 -9.023 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.443 -1.247 -10.558 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.103 1.649 -9.981 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.517 1.171 -10.556 1.00 0.00 H new ATOM 1006 N ALA A 68 -19.923 -2.261 -11.058 1.00 0.00 N ATOM 1007 CA ALA A 68 -20.742 -2.700 -12.181 1.00 0.00 C ATOM 1008 C ALA A 68 -21.312 -4.092 -11.935 1.00 0.00 C ATOM 1009 O ALA A 68 -20.648 -5.098 -12.185 1.00 0.00 O ATOM 1010 CB ALA A 68 -19.928 -2.680 -13.467 1.00 0.00 C ATOM 0 H ALA A 68 -19.250 -2.954 -10.731 1.00 0.00 H new ATOM 0 HA ALA A 68 -21.578 -2.007 -12.282 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.552 -3.010 -14.298 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -19.575 -1.667 -13.659 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -19.073 -3.349 -13.367 1.00 0.00 H new ATOM 1016 N SER A 69 -22.545 -4.143 -11.442 1.00 0.00 N ATOM 1017 CA SER A 69 -23.203 -5.413 -11.157 1.00 0.00 C ATOM 1018 C SER A 69 -22.972 -6.410 -12.288 1.00 0.00 C ATOM 1019 O SER A 69 -23.409 -6.196 -13.418 1.00 0.00 O ATOM 1020 CB SER A 69 -24.703 -5.199 -10.948 1.00 0.00 C ATOM 1021 OG SER A 69 -25.307 -4.657 -12.110 1.00 0.00 O ATOM 0 H SER A 69 -23.109 -3.319 -11.231 1.00 0.00 H new ATOM 0 HA SER A 69 -22.771 -5.821 -10.243 1.00 0.00 H new ATOM 0 HB2 SER A 69 -25.177 -6.148 -10.696 1.00 0.00 H new ATOM 0 HB3 SER A 69 -24.864 -4.528 -10.104 1.00 0.00 H new ATOM 0 HG SER A 69 -24.876 -5.030 -12.907 1.00 0.00 H new ATOM 1027 N GLY A 70 -22.281 -7.502 -11.975 1.00 0.00 N ATOM 1028 CA GLY A 70 -22.003 -8.517 -12.974 1.00 0.00 C ATOM 1029 C GLY A 70 -21.451 -9.792 -12.369 1.00 0.00 C ATOM 1030 O GLY A 70 -21.641 -10.075 -11.186 1.00 0.00 O ATOM 0 H GLY A 70 -21.909 -7.702 -11.047 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -22.918 -8.745 -13.520 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -21.289 -8.124 -13.698 1.00 0.00 H new ATOM 1034 N PRO A 71 -20.750 -10.587 -13.191 1.00 0.00 N ATOM 1035 CA PRO A 71 -20.156 -11.853 -12.751 1.00 0.00 C ATOM 1036 C PRO A 71 -18.985 -11.642 -11.797 1.00 0.00 C ATOM 1037 O PRO A 71 -18.475 -10.530 -11.661 1.00 0.00 O ATOM 1038 CB PRO A 71 -19.674 -12.491 -14.057 1.00 0.00 C ATOM 1039 CG PRO A 71 -19.454 -11.343 -14.980 1.00 0.00 C ATOM 1040 CD PRO A 71 -20.485 -10.311 -14.613 1.00 0.00 C ATOM 0 HA PRO A 71 -20.867 -12.467 -12.198 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -18.756 -13.059 -13.905 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -20.415 -13.184 -14.456 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -18.446 -10.943 -14.871 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -19.564 -11.652 -16.020 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -20.111 -9.298 -14.763 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -21.387 -10.411 -15.217 1.00 0.00 H new ATOM 1048 N SER A 72 -18.563 -12.718 -11.140 1.00 0.00 N ATOM 1049 CA SER A 72 -17.453 -12.650 -10.196 1.00 0.00 C ATOM 1050 C SER A 72 -16.283 -13.507 -10.670 1.00 0.00 C ATOM 1051 O SER A 72 -16.474 -14.514 -11.352 1.00 0.00 O ATOM 1052 CB SER A 72 -17.907 -13.109 -8.809 1.00 0.00 C ATOM 1053 OG SER A 72 -18.088 -14.514 -8.770 1.00 0.00 O ATOM 0 H SER A 72 -18.972 -13.646 -11.244 1.00 0.00 H new ATOM 0 HA SER A 72 -17.121 -11.613 -10.138 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.167 -12.814 -8.065 1.00 0.00 H new ATOM 0 HB3 SER A 72 -18.840 -12.612 -8.545 1.00 0.00 H new ATOM 0 HG SER A 72 -18.376 -14.782 -7.873 1.00 0.00 H new ATOM 1059 N SER A 73 -15.073 -13.100 -10.303 1.00 0.00 N ATOM 1060 CA SER A 73 -13.871 -13.828 -10.693 1.00 0.00 C ATOM 1061 C SER A 73 -12.786 -13.696 -9.628 1.00 0.00 C ATOM 1062 O SER A 73 -12.962 -12.998 -8.630 1.00 0.00 O ATOM 1063 CB SER A 73 -13.349 -13.310 -12.035 1.00 0.00 C ATOM 1064 OG SER A 73 -14.207 -13.690 -13.096 1.00 0.00 O ATOM 0 H SER A 73 -14.898 -12.270 -9.736 1.00 0.00 H new ATOM 0 HA SER A 73 -14.131 -14.882 -10.794 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.266 -12.224 -12.002 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.348 -13.701 -12.215 1.00 0.00 H new ATOM 0 HG SER A 73 -14.996 -14.144 -12.732 1.00 0.00 H new ATOM 1070 N GLY A 74 -11.663 -14.372 -9.849 1.00 0.00 N ATOM 1071 CA GLY A 74 -10.566 -14.319 -8.900 1.00 0.00 C ATOM 1072 C GLY A 74 -9.311 -14.986 -9.427 1.00 0.00 C ATOM 1073 O GLY A 74 -8.739 -14.502 -10.402 1.00 0.00 O ATOM 0 H GLY A 74 -11.493 -14.955 -10.668 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.347 -13.279 -8.660 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.869 -14.803 -7.972 1.00 0.00 H new TER 1077 GLY A 74 HETATM 1078 ZN ZN A 201 3.073 -9.279 -1.977 1.00 0.00 ZN HETATM 1079 ZN ZN A 401 -5.948 -2.816 -3.956 1.00 0.00 ZN