USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 702 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 Set 1.1: A 33 THR OG1 : rot -68:sc= 2.02 USER MOD Set 1.2: A 35 THR OG1 : rot 45:sc= 0.464 USER MOD Set 2.1: A 13 ASN : amide:sc= 0 K(o=-0.072,f=-0.83) USER MOD Set 2.2: A 25 TYR OH : rot -140:sc= -0.0715 USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0698 (180deg=0) USER MOD Single : A 2 SER OG : rot 35:sc= 1.23 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0494 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 17 THR OG1 : rot 63:sc= 1.29 USER MOD Single : A 26 SER OG : rot 31:sc= 0.963 USER MOD Single : A 37 THR OG1 : rot 81:sc= 1.19 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 47 GLN : amide:sc= -0.0156 X(o=-0.016,f=-0.016) USER MOD Single : A 48 ASN : amide:sc= -0.379 K(o=-0.38,f=-1.2!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 80:sc= 1.26 USER MOD Single : A 65 GLN : amide:sc= -0.0042 X(o=-0.0042,f=-0.082) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 42:sc= 1.26 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -14:sc= 0.413 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -12:sc= 0.977 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.172 -4.680 5.326 1.00 0.00 N ATOM 2 CA GLY A 1 -10.504 -6.094 5.577 1.00 0.00 C ATOM 3 C GLY A 1 -10.681 -6.356 7.067 1.00 0.00 C ATOM 4 O GLY A 1 -11.000 -5.434 7.822 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.742 -4.325 4.532 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.377 -4.119 6.177 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.162 -4.597 5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.419 -6.356 5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.713 -6.733 5.183 1.00 0.00 H new ATOM 8 N SER A 2 -10.503 -7.618 7.475 1.00 0.00 N ATOM 9 CA SER A 2 -10.344 -8.149 8.836 1.00 0.00 C ATOM 10 C SER A 2 -10.112 -9.665 8.780 1.00 0.00 C ATOM 11 O SER A 2 -9.467 -10.226 9.667 1.00 0.00 O ATOM 12 CB SER A 2 -11.554 -7.875 9.737 1.00 0.00 C ATOM 13 OG SER A 2 -11.569 -6.526 10.152 1.00 0.00 O ATOM 0 H SER A 2 -10.462 -8.372 6.789 1.00 0.00 H new ATOM 0 HA SER A 2 -9.486 -7.634 9.267 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.474 -8.106 9.200 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.521 -8.529 10.608 1.00 0.00 H new ATOM 0 HG SER A 2 -11.230 -5.958 9.429 1.00 0.00 H new ATOM 19 N SER A 3 -10.562 -10.344 7.721 1.00 0.00 N ATOM 20 CA SER A 3 -10.003 -11.627 7.332 1.00 0.00 C ATOM 21 C SER A 3 -9.828 -11.654 5.815 1.00 0.00 C ATOM 22 O SER A 3 -10.322 -10.778 5.088 1.00 0.00 O ATOM 23 CB SER A 3 -10.816 -12.790 7.928 1.00 0.00 C ATOM 24 OG SER A 3 -12.133 -12.862 7.411 1.00 0.00 O ATOM 0 H SER A 3 -11.318 -10.017 7.119 1.00 0.00 H new ATOM 0 HA SER A 3 -9.007 -11.764 7.754 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.300 -13.729 7.726 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.862 -12.678 9.011 1.00 0.00 H new ATOM 0 HG SER A 3 -12.604 -13.617 7.820 1.00 0.00 H new ATOM 30 N GLY A 4 -9.080 -12.641 5.343 1.00 0.00 N ATOM 31 CA GLY A 4 -8.584 -12.752 3.989 1.00 0.00 C ATOM 32 C GLY A 4 -7.642 -13.944 3.922 1.00 0.00 C ATOM 33 O GLY A 4 -7.549 -14.707 4.886 1.00 0.00 O ATOM 0 H GLY A 4 -8.791 -13.424 5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.411 -12.882 3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.063 -11.839 3.699 1.00 0.00 H new ATOM 37 N SER A 5 -6.937 -14.107 2.807 1.00 0.00 N ATOM 38 CA SER A 5 -5.931 -15.150 2.634 1.00 0.00 C ATOM 39 C SER A 5 -4.756 -14.985 3.601 1.00 0.00 C ATOM 40 O SER A 5 -4.587 -13.925 4.198 1.00 0.00 O ATOM 41 CB SER A 5 -5.456 -15.100 1.180 1.00 0.00 C ATOM 42 OG SER A 5 -5.262 -13.778 0.695 1.00 0.00 O ATOM 0 H SER A 5 -7.050 -13.511 1.987 1.00 0.00 H new ATOM 0 HA SER A 5 -6.372 -16.121 2.861 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.520 -15.652 1.092 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.186 -15.607 0.549 1.00 0.00 H new ATOM 0 HG SER A 5 -4.958 -13.812 -0.236 1.00 0.00 H new ATOM 48 N SER A 6 -3.910 -16.004 3.729 1.00 0.00 N ATOM 49 CA SER A 6 -2.533 -15.790 4.153 1.00 0.00 C ATOM 50 C SER A 6 -1.775 -15.192 2.960 1.00 0.00 C ATOM 51 O SER A 6 -2.112 -15.476 1.802 1.00 0.00 O ATOM 52 CB SER A 6 -1.928 -17.136 4.565 1.00 0.00 C ATOM 53 OG SER A 6 -2.813 -17.833 5.424 1.00 0.00 O ATOM 0 H SER A 6 -4.153 -16.978 3.546 1.00 0.00 H new ATOM 0 HA SER A 6 -2.473 -15.113 5.005 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.723 -17.736 3.679 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.975 -16.975 5.068 1.00 0.00 H new ATOM 0 HG SER A 6 -2.414 -18.692 5.678 1.00 0.00 H new ATOM 59 N GLY A 7 -0.731 -14.406 3.201 1.00 0.00 N ATOM 60 CA GLY A 7 0.160 -13.905 2.170 1.00 0.00 C ATOM 61 C GLY A 7 0.440 -12.418 2.312 1.00 0.00 C ATOM 62 O GLY A 7 -0.199 -11.708 3.089 1.00 0.00 O ATOM 0 H GLY A 7 -0.479 -14.095 4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.101 -14.454 2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.279 -14.096 1.191 1.00 0.00 H new ATOM 66 N PHE A 8 1.388 -11.930 1.507 1.00 0.00 N ATOM 67 CA PHE A 8 1.862 -10.549 1.539 1.00 0.00 C ATOM 68 C PHE A 8 0.713 -9.553 1.440 1.00 0.00 C ATOM 69 O PHE A 8 0.621 -8.628 2.244 1.00 0.00 O ATOM 70 CB PHE A 8 2.841 -10.299 0.386 1.00 0.00 C ATOM 71 CG PHE A 8 3.254 -8.842 0.264 1.00 0.00 C ATOM 72 CD1 PHE A 8 4.072 -8.273 1.254 1.00 0.00 C ATOM 73 CD2 PHE A 8 2.781 -8.037 -0.792 1.00 0.00 C ATOM 74 CE1 PHE A 8 4.459 -6.929 1.166 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.177 -6.692 -0.881 1.00 0.00 C ATOM 76 CZ PHE A 8 4.025 -6.142 0.091 1.00 0.00 C ATOM 0 H PHE A 8 1.855 -12.498 0.801 1.00 0.00 H new ATOM 0 HA PHE A 8 2.364 -10.402 2.495 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.730 -10.912 0.532 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.382 -10.621 -0.549 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.404 -8.874 2.087 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.114 -8.454 -1.532 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.093 -6.499 1.928 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.828 -6.080 -1.700 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.343 -5.113 0.011 1.00 0.00 H new ATOM 86 N LYS A 9 -0.163 -9.725 0.448 1.00 0.00 N ATOM 87 CA LYS A 9 -1.229 -8.763 0.205 1.00 0.00 C ATOM 88 C LYS A 9 -2.300 -8.820 1.306 1.00 0.00 C ATOM 89 O LYS A 9 -3.114 -7.903 1.375 1.00 0.00 O ATOM 90 CB LYS A 9 -1.766 -8.927 -1.227 1.00 0.00 C ATOM 91 CG LYS A 9 -2.874 -7.919 -1.570 1.00 0.00 C ATOM 92 CD LYS A 9 -3.030 -7.554 -3.047 1.00 0.00 C ATOM 93 CE LYS A 9 -2.979 -8.779 -3.958 1.00 0.00 C ATOM 94 NZ LYS A 9 -3.501 -8.482 -5.301 1.00 0.00 N ATOM 0 H LYS A 9 -0.152 -10.518 -0.194 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.833 -7.749 0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.944 -8.810 -1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.151 -9.939 -1.351 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.823 -8.321 -1.216 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.687 -7.003 -1.010 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.978 -7.036 -3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.240 -6.859 -3.332 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.950 -9.131 -4.037 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.559 -9.588 -3.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.450 -9.337 -5.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.491 -8.170 -5.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.932 -7.728 -5.736 1.00 0.00 H new ATOM 108 N ALA A 10 -2.321 -9.844 2.165 1.00 0.00 N ATOM 109 CA ALA A 10 -3.126 -9.839 3.377 1.00 0.00 C ATOM 110 C ALA A 10 -2.373 -9.128 4.502 1.00 0.00 C ATOM 111 O ALA A 10 -2.920 -8.213 5.105 1.00 0.00 O ATOM 112 CB ALA A 10 -3.493 -11.263 3.770 1.00 0.00 C ATOM 0 H ALA A 10 -1.778 -10.697 2.034 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.052 -9.294 3.192 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.095 -11.246 4.678 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.063 -11.727 2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.584 -11.837 3.948 1.00 0.00 H new ATOM 118 N GLU A 11 -1.117 -9.490 4.765 1.00 0.00 N ATOM 119 CA GLU A 11 -0.323 -8.883 5.834 1.00 0.00 C ATOM 120 C GLU A 11 -0.226 -7.369 5.674 1.00 0.00 C ATOM 121 O GLU A 11 -0.412 -6.621 6.636 1.00 0.00 O ATOM 122 CB GLU A 11 1.097 -9.467 5.840 1.00 0.00 C ATOM 123 CG GLU A 11 1.253 -10.778 6.598 1.00 0.00 C ATOM 124 CD GLU A 11 0.910 -10.594 8.077 1.00 0.00 C ATOM 125 OE1 GLU A 11 1.790 -10.207 8.873 1.00 0.00 O ATOM 126 OE2 GLU A 11 -0.266 -10.819 8.441 1.00 0.00 O ATOM 0 H GLU A 11 -0.621 -10.212 4.243 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.827 -9.106 6.774 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.414 -9.622 4.809 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.774 -8.731 6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.603 -11.536 6.161 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.276 -11.141 6.500 1.00 0.00 H new ATOM 133 N LEU A 12 0.074 -6.930 4.453 1.00 0.00 N ATOM 134 CA LEU A 12 0.221 -5.532 4.088 1.00 0.00 C ATOM 135 C LEU A 12 -1.121 -4.803 4.166 1.00 0.00 C ATOM 136 O LEU A 12 -1.160 -3.625 4.492 1.00 0.00 O ATOM 137 CB LEU A 12 0.777 -5.463 2.661 1.00 0.00 C ATOM 138 CG LEU A 12 1.350 -4.074 2.333 1.00 0.00 C ATOM 139 CD1 LEU A 12 2.750 -3.868 2.928 1.00 0.00 C ATOM 140 CD2 LEU A 12 1.373 -3.904 0.820 1.00 0.00 C ATOM 0 H LEU A 12 0.225 -7.563 3.668 1.00 0.00 H new ATOM 0 HA LEU A 12 0.903 -5.044 4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.557 -6.215 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.014 -5.706 1.951 1.00 0.00 H new ATOM 0 HG LEU A 12 0.711 -3.316 2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.112 -2.873 2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.703 -3.966 4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.431 -4.618 2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.777 -2.923 0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.999 -4.678 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.359 -3.989 0.429 1.00 0.00 H new ATOM 152 N ASN A 13 -2.218 -5.491 3.849 1.00 0.00 N ATOM 153 CA ASN A 13 -3.578 -4.964 3.922 1.00 0.00 C ATOM 154 C ASN A 13 -3.952 -4.699 5.364 1.00 0.00 C ATOM 155 O ASN A 13 -4.339 -3.584 5.679 1.00 0.00 O ATOM 156 CB ASN A 13 -4.514 -5.972 3.259 1.00 0.00 C ATOM 157 CG ASN A 13 -6.012 -5.741 3.377 1.00 0.00 C ATOM 158 OD1 ASN A 13 -6.500 -4.632 3.521 1.00 0.00 O ATOM 159 ND2 ASN A 13 -6.782 -6.808 3.206 1.00 0.00 N ATOM 0 H ASN A 13 -2.182 -6.458 3.525 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.658 -4.013 3.395 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.265 -6.011 2.199 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.294 -6.955 3.675 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.797 -6.708 3.194 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.359 -7.728 3.087 1.00 0.00 H new ATOM 166 N GLU A 14 -3.767 -5.679 6.242 1.00 0.00 N ATOM 167 CA GLU A 14 -3.954 -5.533 7.690 1.00 0.00 C ATOM 168 C GLU A 14 -3.130 -4.351 8.224 1.00 0.00 C ATOM 169 O GLU A 14 -3.676 -3.454 8.865 1.00 0.00 O ATOM 170 CB GLU A 14 -3.570 -6.837 8.412 1.00 0.00 C ATOM 171 CG GLU A 14 -4.515 -8.012 8.117 1.00 0.00 C ATOM 172 CD GLU A 14 -5.900 -7.819 8.734 1.00 0.00 C ATOM 173 OE1 GLU A 14 -6.077 -8.164 9.929 1.00 0.00 O ATOM 174 OE2 GLU A 14 -6.802 -7.346 8.001 1.00 0.00 O ATOM 0 H GLU A 14 -3.477 -6.617 5.967 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.006 -5.328 7.886 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.557 -7.116 8.123 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.556 -6.655 9.487 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.615 -8.132 7.038 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.075 -8.933 8.500 1.00 0.00 H new ATOM 181 N PHE A 15 -1.830 -4.326 7.919 1.00 0.00 N ATOM 182 CA PHE A 15 -0.900 -3.257 8.282 1.00 0.00 C ATOM 183 C PHE A 15 -1.451 -1.893 7.843 1.00 0.00 C ATOM 184 O PHE A 15 -1.694 -1.017 8.675 1.00 0.00 O ATOM 185 CB PHE A 15 0.462 -3.601 7.654 1.00 0.00 C ATOM 186 CG PHE A 15 1.552 -2.552 7.747 1.00 0.00 C ATOM 187 CD1 PHE A 15 1.680 -1.590 6.729 1.00 0.00 C ATOM 188 CD2 PHE A 15 2.496 -2.590 8.788 1.00 0.00 C ATOM 189 CE1 PHE A 15 2.720 -0.650 6.759 1.00 0.00 C ATOM 190 CE2 PHE A 15 3.561 -1.671 8.803 1.00 0.00 C ATOM 191 CZ PHE A 15 3.665 -0.695 7.794 1.00 0.00 C ATOM 0 H PHE A 15 -1.382 -5.077 7.394 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.774 -3.181 9.362 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.830 -4.513 8.124 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.301 -3.828 6.600 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.970 -1.575 5.916 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.404 -3.324 9.575 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.793 0.104 5.989 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.300 -1.714 9.590 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.474 0.020 7.817 1.00 0.00 H new ATOM 201 N LEU A 16 -1.678 -1.718 6.538 1.00 0.00 N ATOM 202 CA LEU A 16 -2.141 -0.463 5.957 1.00 0.00 C ATOM 203 C LEU A 16 -3.518 -0.066 6.477 1.00 0.00 C ATOM 204 O LEU A 16 -3.738 1.119 6.699 1.00 0.00 O ATOM 205 CB LEU A 16 -2.191 -0.565 4.428 1.00 0.00 C ATOM 206 CG LEU A 16 -0.823 -0.512 3.728 1.00 0.00 C ATOM 207 CD1 LEU A 16 -1.001 -0.909 2.264 1.00 0.00 C ATOM 208 CD2 LEU A 16 -0.186 0.879 3.829 1.00 0.00 C ATOM 0 H LEU A 16 -1.542 -2.458 5.849 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.428 0.306 6.254 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.685 -1.498 4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.810 0.246 4.045 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.150 -1.210 4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.036 -0.875 1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.405 -1.920 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.689 -0.216 1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.779 0.875 3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.840 1.614 3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.044 1.139 4.878 1.00 0.00 H new ATOM 220 N THR A 17 -4.422 -1.023 6.705 1.00 0.00 N ATOM 221 CA THR A 17 -5.744 -0.771 7.267 1.00 0.00 C ATOM 222 C THR A 17 -5.598 0.043 8.552 1.00 0.00 C ATOM 223 O THR A 17 -6.309 1.020 8.764 1.00 0.00 O ATOM 224 CB THR A 17 -6.480 -2.095 7.546 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.739 -2.807 6.355 1.00 0.00 O ATOM 226 CG2 THR A 17 -7.821 -1.903 8.247 1.00 0.00 C ATOM 0 H THR A 17 -4.250 -2.007 6.500 1.00 0.00 H new ATOM 0 HA THR A 17 -6.337 -0.206 6.547 1.00 0.00 H new ATOM 0 HB THR A 17 -5.805 -2.650 8.198 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.891 -3.047 5.926 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.287 -2.874 8.414 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.663 -1.407 9.205 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.473 -1.290 7.624 1.00 0.00 H new ATOM 234 N ARG A 18 -4.683 -0.380 9.423 1.00 0.00 N ATOM 235 CA ARG A 18 -4.500 0.225 10.728 1.00 0.00 C ATOM 236 C ARG A 18 -3.749 1.548 10.593 1.00 0.00 C ATOM 237 O ARG A 18 -4.118 2.532 11.237 1.00 0.00 O ATOM 238 CB ARG A 18 -3.813 -0.789 11.640 1.00 0.00 C ATOM 239 CG ARG A 18 -4.773 -1.970 11.854 1.00 0.00 C ATOM 240 CD ARG A 18 -4.227 -2.993 12.838 1.00 0.00 C ATOM 241 NE ARG A 18 -4.187 -2.465 14.212 1.00 0.00 N ATOM 242 CZ ARG A 18 -3.110 -2.333 14.995 1.00 0.00 C ATOM 243 NH1 ARG A 18 -1.922 -2.816 14.636 1.00 0.00 N ATOM 244 NH2 ARG A 18 -3.226 -1.695 16.148 1.00 0.00 N ATOM 0 H ARG A 18 -4.048 -1.156 9.236 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.456 0.477 11.187 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.881 -1.133 11.192 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.557 -0.329 12.595 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.730 -1.595 12.218 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.964 -2.457 10.898 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.847 -3.889 12.811 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.223 -3.290 12.534 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.078 -2.167 14.610 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.817 -3.301 13.745 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.117 -2.701 15.252 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.128 -1.311 16.430 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.413 -1.587 16.755 1.00 0.00 H new ATOM 258 N GLU A 19 -2.732 1.590 9.736 1.00 0.00 N ATOM 259 CA GLU A 19 -1.888 2.757 9.519 1.00 0.00 C ATOM 260 C GLU A 19 -2.593 3.898 8.762 1.00 0.00 C ATOM 261 O GLU A 19 -2.119 5.034 8.864 1.00 0.00 O ATOM 262 CB GLU A 19 -0.599 2.299 8.814 1.00 0.00 C ATOM 263 CG GLU A 19 0.561 1.967 9.772 1.00 0.00 C ATOM 264 CD GLU A 19 0.230 1.156 11.036 1.00 0.00 C ATOM 265 OE1 GLU A 19 -0.373 1.685 12.006 1.00 0.00 O ATOM 266 OE2 GLU A 19 0.756 0.032 11.175 1.00 0.00 O ATOM 0 H GLU A 19 -2.467 0.791 9.159 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.646 3.191 10.489 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.821 1.418 8.211 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.276 3.082 8.128 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.316 1.418 9.209 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.017 2.906 10.085 1.00 0.00 H new ATOM 273 N LEU A 20 -3.711 3.637 8.067 1.00 0.00 N ATOM 274 CA LEU A 20 -4.464 4.595 7.244 1.00 0.00 C ATOM 275 C LEU A 20 -5.973 4.588 7.557 1.00 0.00 C ATOM 276 O LEU A 20 -6.790 4.956 6.705 1.00 0.00 O ATOM 277 CB LEU A 20 -4.193 4.316 5.754 1.00 0.00 C ATOM 278 CG LEU A 20 -2.778 4.684 5.291 1.00 0.00 C ATOM 279 CD1 LEU A 20 -2.556 4.062 3.913 1.00 0.00 C ATOM 280 CD2 LEU A 20 -2.609 6.203 5.205 1.00 0.00 C ATOM 0 H LEU A 20 -4.134 2.709 8.064 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.115 5.598 7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.363 3.257 5.558 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.915 4.871 5.155 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.049 4.307 6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.555 4.309 3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.660 2.979 3.982 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.295 4.454 3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.597 6.438 4.875 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.327 6.609 4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.782 6.644 6.186 1.00 0.00 H new ATOM 292 N ALA A 21 -6.352 4.169 8.768 1.00 0.00 N ATOM 293 CA ALA A 21 -7.742 4.078 9.205 1.00 0.00 C ATOM 294 C ALA A 21 -8.466 5.427 9.090 1.00 0.00 C ATOM 295 O ALA A 21 -9.532 5.486 8.479 1.00 0.00 O ATOM 296 CB ALA A 21 -7.802 3.550 10.645 1.00 0.00 C ATOM 0 H ALA A 21 -5.686 3.879 9.484 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.258 3.380 8.546 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.842 3.484 10.965 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.345 2.561 10.689 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.261 4.229 11.304 1.00 0.00 H new ATOM 302 N GLU A 22 -7.897 6.499 9.660 1.00 0.00 N ATOM 303 CA GLU A 22 -8.492 7.838 9.619 1.00 0.00 C ATOM 304 C GLU A 22 -8.521 8.329 8.172 1.00 0.00 C ATOM 305 O GLU A 22 -9.436 9.039 7.744 1.00 0.00 O ATOM 306 CB GLU A 22 -7.694 8.844 10.450 1.00 0.00 C ATOM 307 CG GLU A 22 -7.558 8.507 11.933 1.00 0.00 C ATOM 308 CD GLU A 22 -8.844 8.702 12.724 1.00 0.00 C ATOM 309 OE1 GLU A 22 -9.234 9.859 12.998 1.00 0.00 O ATOM 310 OE2 GLU A 22 -9.467 7.701 13.126 1.00 0.00 O ATOM 0 H GLU A 22 -7.010 6.459 10.162 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.497 7.766 10.034 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.696 8.932 10.022 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.167 9.822 10.359 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.234 7.471 12.033 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.776 9.129 12.368 1.00 0.00 H new ATOM 317 N ASP A 23 -7.476 7.971 7.423 1.00 0.00 N ATOM 318 CA ASP A 23 -7.182 8.513 6.108 1.00 0.00 C ATOM 319 C ASP A 23 -8.243 8.087 5.102 1.00 0.00 C ATOM 320 O ASP A 23 -8.599 8.902 4.249 1.00 0.00 O ATOM 321 CB ASP A 23 -5.785 8.097 5.598 1.00 0.00 C ATOM 322 CG ASP A 23 -4.641 8.921 6.196 1.00 0.00 C ATOM 323 OD1 ASP A 23 -4.585 9.078 7.434 1.00 0.00 O ATOM 324 OD2 ASP A 23 -3.818 9.434 5.409 1.00 0.00 O ATOM 0 H ASP A 23 -6.796 7.276 7.729 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.188 9.598 6.209 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.622 7.044 5.829 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.761 8.192 4.512 1.00 0.00 H new ATOM 329 N GLY A 24 -8.752 6.851 5.151 1.00 0.00 N ATOM 330 CA GLY A 24 -9.751 6.362 4.193 1.00 0.00 C ATOM 331 C GLY A 24 -9.287 5.187 3.347 1.00 0.00 C ATOM 332 O GLY A 24 -9.588 5.151 2.149 1.00 0.00 O ATOM 0 H GLY A 24 -8.484 6.162 5.854 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.648 6.069 4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.034 7.181 3.532 1.00 0.00 H new ATOM 336 N TYR A 25 -8.527 4.264 3.936 1.00 0.00 N ATOM 337 CA TYR A 25 -8.003 3.086 3.267 1.00 0.00 C ATOM 338 C TYR A 25 -9.107 2.178 2.701 1.00 0.00 C ATOM 339 O TYR A 25 -10.294 2.329 3.004 1.00 0.00 O ATOM 340 CB TYR A 25 -7.121 2.361 4.279 1.00 0.00 C ATOM 341 CG TYR A 25 -6.365 1.198 3.695 1.00 0.00 C ATOM 342 CD1 TYR A 25 -5.324 1.413 2.773 1.00 0.00 C ATOM 343 CD2 TYR A 25 -6.755 -0.104 4.032 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.662 0.314 2.192 1.00 0.00 C ATOM 345 CE2 TYR A 25 -6.071 -1.199 3.497 1.00 0.00 C ATOM 346 CZ TYR A 25 -5.030 -0.999 2.567 1.00 0.00 C ATOM 347 OH TYR A 25 -4.382 -2.066 2.036 1.00 0.00 O ATOM 0 H TYR A 25 -8.255 4.322 4.917 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.423 3.381 2.392 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.410 3.070 4.702 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.743 2.004 5.100 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.033 2.420 2.511 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.584 -0.262 4.705 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.879 0.473 1.465 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.340 -2.201 3.797 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.028 -2.777 1.842 1.00 0.00 H new ATOM 357 N SER A 26 -8.731 1.242 1.829 1.00 0.00 N ATOM 358 CA SER A 26 -9.649 0.337 1.152 1.00 0.00 C ATOM 359 C SER A 26 -8.988 -0.931 0.619 1.00 0.00 C ATOM 360 O SER A 26 -9.646 -1.974 0.550 1.00 0.00 O ATOM 361 CB SER A 26 -10.257 1.116 -0.007 1.00 0.00 C ATOM 362 OG SER A 26 -11.349 1.851 0.511 1.00 0.00 O ATOM 0 H SER A 26 -7.756 1.092 1.570 1.00 0.00 H new ATOM 0 HA SER A 26 -10.392 -0.001 1.874 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.519 1.784 -0.451 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.588 0.439 -0.794 1.00 0.00 H new ATOM 0 HG SER A 26 -11.168 2.093 1.443 1.00 0.00 H new ATOM 368 N GLY A 27 -7.720 -0.871 0.229 1.00 0.00 N ATOM 369 CA GLY A 27 -6.974 -2.032 -0.219 1.00 0.00 C ATOM 370 C GLY A 27 -5.650 -1.602 -0.811 1.00 0.00 C ATOM 371 O GLY A 27 -5.246 -0.443 -0.685 1.00 0.00 O ATOM 0 H GLY A 27 -7.180 -0.006 0.216 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.804 -2.710 0.617 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.552 -2.581 -0.962 1.00 0.00 H new ATOM 375 N VAL A 28 -4.935 -2.539 -1.415 1.00 0.00 N ATOM 376 CA VAL A 28 -3.611 -2.290 -1.944 1.00 0.00 C ATOM 377 C VAL A 28 -3.400 -3.262 -3.092 1.00 0.00 C ATOM 378 O VAL A 28 -3.749 -4.438 -2.993 1.00 0.00 O ATOM 379 CB VAL A 28 -2.571 -2.417 -0.816 1.00 0.00 C ATOM 380 CG1 VAL A 28 -2.643 -3.756 -0.054 1.00 0.00 C ATOM 381 CG2 VAL A 28 -1.145 -2.143 -1.298 1.00 0.00 C ATOM 0 H VAL A 28 -5.262 -3.496 -1.550 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.497 -1.278 -2.332 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.841 -1.637 -0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.881 -3.773 0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.628 -3.864 0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.471 -4.579 -0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.452 -2.246 -0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.881 -2.857 -2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.084 -1.130 -1.697 1.00 0.00 H new ATOM 391 N GLU A 29 -2.819 -2.775 -4.174 1.00 0.00 N ATOM 392 CA GLU A 29 -2.346 -3.606 -5.265 1.00 0.00 C ATOM 393 C GLU A 29 -0.834 -3.740 -5.132 1.00 0.00 C ATOM 394 O GLU A 29 -0.158 -2.946 -4.473 1.00 0.00 O ATOM 395 CB GLU A 29 -2.763 -3.018 -6.618 1.00 0.00 C ATOM 396 CG GLU A 29 -4.264 -3.228 -6.828 1.00 0.00 C ATOM 397 CD GLU A 29 -4.767 -2.554 -8.103 1.00 0.00 C ATOM 398 OE1 GLU A 29 -5.161 -1.361 -8.077 1.00 0.00 O ATOM 399 OE2 GLU A 29 -4.908 -3.243 -9.135 1.00 0.00 O ATOM 0 H GLU A 29 -2.661 -1.778 -4.321 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.796 -4.597 -5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.526 -1.955 -6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.203 -3.496 -7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.477 -4.296 -6.875 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.808 -2.832 -5.971 1.00 0.00 H new ATOM 406 N VAL A 30 -0.305 -4.785 -5.753 1.00 0.00 N ATOM 407 CA VAL A 30 1.096 -5.140 -5.722 1.00 0.00 C ATOM 408 C VAL A 30 1.480 -5.644 -7.103 1.00 0.00 C ATOM 409 O VAL A 30 0.959 -6.665 -7.560 1.00 0.00 O ATOM 410 CB VAL A 30 1.362 -6.126 -4.566 1.00 0.00 C ATOM 411 CG1 VAL A 30 0.527 -7.421 -4.541 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.857 -6.477 -4.476 1.00 0.00 C ATOM 0 H VAL A 30 -0.866 -5.429 -6.311 1.00 0.00 H new ATOM 0 HA VAL A 30 1.737 -4.285 -5.509 1.00 0.00 H new ATOM 0 HB VAL A 30 1.028 -5.569 -3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.814 -8.022 -3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.532 -7.170 -4.472 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.707 -7.988 -5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.018 -7.174 -3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.179 -6.938 -5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.434 -5.569 -4.301 1.00 0.00 H new ATOM 422 N ARG A 31 2.396 -4.943 -7.771 1.00 0.00 N ATOM 423 CA ARG A 31 2.994 -5.411 -9.015 1.00 0.00 C ATOM 424 C ARG A 31 4.432 -5.749 -8.662 1.00 0.00 C ATOM 425 O ARG A 31 5.158 -4.890 -8.162 1.00 0.00 O ATOM 426 CB ARG A 31 2.884 -4.337 -10.121 1.00 0.00 C ATOM 427 CG ARG A 31 1.423 -4.001 -10.469 1.00 0.00 C ATOM 428 CD ARG A 31 1.273 -2.892 -11.525 1.00 0.00 C ATOM 429 NE ARG A 31 -0.145 -2.533 -11.678 1.00 0.00 N ATOM 430 CZ ARG A 31 -0.726 -1.680 -12.529 1.00 0.00 C ATOM 431 NH1 ARG A 31 -0.031 -0.939 -13.384 1.00 0.00 N ATOM 432 NH2 ARG A 31 -2.049 -1.599 -12.506 1.00 0.00 N ATOM 0 H ARG A 31 2.743 -4.035 -7.462 1.00 0.00 H new ATOM 0 HA ARG A 31 2.482 -6.283 -9.422 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.395 -3.431 -9.796 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.397 -4.688 -11.017 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.929 -4.903 -10.831 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.904 -3.696 -9.560 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.849 -2.015 -11.228 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.676 -3.230 -12.480 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.782 -3.007 -11.038 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.986 -1.008 -13.409 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.514 -0.301 -14.016 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.584 -2.175 -11.856 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.532 -0.961 -13.139 1.00 0.00 H new ATOM 446 N VAL A 32 4.868 -6.983 -8.882 1.00 0.00 N ATOM 447 CA VAL A 32 6.294 -7.274 -8.943 1.00 0.00 C ATOM 448 C VAL A 32 6.674 -7.144 -10.408 1.00 0.00 C ATOM 449 O VAL A 32 5.965 -7.647 -11.281 1.00 0.00 O ATOM 450 CB VAL A 32 6.646 -8.620 -8.286 1.00 0.00 C ATOM 451 CG1 VAL A 32 5.869 -9.823 -8.829 1.00 0.00 C ATOM 452 CG2 VAL A 32 8.158 -8.882 -8.360 1.00 0.00 C ATOM 0 H VAL A 32 4.261 -7.791 -9.020 1.00 0.00 H new ATOM 0 HA VAL A 32 6.888 -6.574 -8.355 1.00 0.00 H new ATOM 0 HB VAL A 32 6.335 -8.518 -7.246 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.184 -10.726 -8.306 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.802 -9.667 -8.673 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.067 -9.933 -9.895 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.385 -9.839 -7.890 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.472 -8.907 -9.403 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.691 -8.086 -7.839 1.00 0.00 H new ATOM 462 N THR A 33 7.741 -6.409 -10.679 1.00 0.00 N ATOM 463 CA THR A 33 8.245 -6.186 -12.020 1.00 0.00 C ATOM 464 C THR A 33 9.682 -6.721 -12.053 1.00 0.00 C ATOM 465 O THR A 33 10.270 -6.946 -10.988 1.00 0.00 O ATOM 466 CB THR A 33 8.093 -4.690 -12.367 1.00 0.00 C ATOM 467 OG1 THR A 33 8.973 -3.880 -11.622 1.00 0.00 O ATOM 468 CG2 THR A 33 6.679 -4.172 -12.113 1.00 0.00 C ATOM 0 H THR A 33 8.290 -5.943 -9.957 1.00 0.00 H new ATOM 0 HA THR A 33 7.687 -6.717 -12.791 1.00 0.00 H new ATOM 0 HB THR A 33 8.327 -4.626 -13.430 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.705 -3.887 -10.679 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.627 -3.115 -12.373 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.971 -4.732 -12.724 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.429 -4.299 -11.060 1.00 0.00 H new ATOM 476 N PRO A 34 10.298 -6.893 -13.233 1.00 0.00 N ATOM 477 CA PRO A 34 11.700 -7.284 -13.306 1.00 0.00 C ATOM 478 C PRO A 34 12.622 -6.172 -12.788 1.00 0.00 C ATOM 479 O PRO A 34 13.810 -6.406 -12.585 1.00 0.00 O ATOM 480 CB PRO A 34 11.962 -7.606 -14.778 1.00 0.00 C ATOM 481 CG PRO A 34 10.909 -6.796 -15.528 1.00 0.00 C ATOM 482 CD PRO A 34 9.740 -6.675 -14.556 1.00 0.00 C ATOM 0 HA PRO A 34 11.909 -8.146 -12.673 1.00 0.00 H new ATOM 0 HB2 PRO A 34 12.971 -7.321 -15.075 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.861 -8.673 -14.977 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.292 -5.815 -15.809 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.607 -7.296 -16.448 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.274 -5.692 -14.626 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.968 -7.411 -14.780 1.00 0.00 H new ATOM 490 N THR A 35 12.106 -4.959 -12.598 1.00 0.00 N ATOM 491 CA THR A 35 12.849 -3.790 -12.170 1.00 0.00 C ATOM 492 C THR A 35 12.750 -3.625 -10.643 1.00 0.00 C ATOM 493 O THR A 35 13.795 -3.526 -10.001 1.00 0.00 O ATOM 494 CB THR A 35 12.378 -2.593 -13.026 1.00 0.00 C ATOM 495 OG1 THR A 35 11.013 -2.688 -13.403 1.00 0.00 O ATOM 496 CG2 THR A 35 13.123 -2.591 -14.366 1.00 0.00 C ATOM 0 H THR A 35 11.116 -4.763 -12.746 1.00 0.00 H new ATOM 0 HA THR A 35 13.921 -3.882 -12.344 1.00 0.00 H new ATOM 0 HB THR A 35 12.557 -1.711 -12.411 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.478 -2.962 -12.629 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.788 -1.746 -14.967 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.195 -2.507 -14.186 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.916 -3.519 -14.899 1.00 0.00 H new ATOM 504 N ARG A 36 11.554 -3.652 -10.033 1.00 0.00 N ATOM 505 CA ARG A 36 11.364 -3.698 -8.570 1.00 0.00 C ATOM 506 C ARG A 36 9.947 -4.159 -8.201 1.00 0.00 C ATOM 507 O ARG A 36 9.100 -4.307 -9.082 1.00 0.00 O ATOM 508 CB ARG A 36 11.704 -2.340 -7.926 1.00 0.00 C ATOM 509 CG ARG A 36 10.879 -1.162 -8.449 1.00 0.00 C ATOM 510 CD ARG A 36 11.231 0.125 -7.695 1.00 0.00 C ATOM 511 NE ARG A 36 12.528 0.674 -8.135 1.00 0.00 N ATOM 512 CZ ARG A 36 12.809 1.971 -8.306 1.00 0.00 C ATOM 513 NH1 ARG A 36 11.943 2.914 -7.959 1.00 0.00 N ATOM 514 NH2 ARG A 36 13.955 2.357 -8.840 1.00 0.00 N ATOM 0 H ARG A 36 10.675 -3.642 -10.550 1.00 0.00 H new ATOM 0 HA ARG A 36 12.057 -4.437 -8.168 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.560 -2.418 -6.848 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.760 -2.129 -8.092 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.064 -1.027 -9.515 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.817 -1.377 -8.335 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.448 0.867 -7.854 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.265 -0.077 -6.624 1.00 0.00 H new ATOM 0 HE ARG A 36 13.276 0.007 -8.325 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.043 2.656 -7.553 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.177 3.897 -8.098 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.643 1.661 -9.130 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.152 3.350 -8.963 1.00 0.00 H new ATOM 528 N THR A 37 9.649 -4.377 -6.921 1.00 0.00 N ATOM 529 CA THR A 37 8.261 -4.442 -6.474 1.00 0.00 C ATOM 530 C THR A 37 7.698 -3.018 -6.463 1.00 0.00 C ATOM 531 O THR A 37 8.431 -2.055 -6.241 1.00 0.00 O ATOM 532 CB THR A 37 8.133 -5.080 -5.075 1.00 0.00 C ATOM 533 OG1 THR A 37 9.137 -6.054 -4.841 1.00 0.00 O ATOM 534 CG2 THR A 37 6.763 -5.749 -4.903 1.00 0.00 C ATOM 0 H THR A 37 10.342 -4.510 -6.184 1.00 0.00 H new ATOM 0 HA THR A 37 7.697 -5.075 -7.159 1.00 0.00 H new ATOM 0 HB THR A 37 8.250 -4.270 -4.356 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.969 -5.609 -4.576 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.696 -6.192 -3.909 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.977 -5.004 -5.022 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.641 -6.528 -5.656 1.00 0.00 H new ATOM 542 N GLU A 38 6.390 -2.900 -6.631 1.00 0.00 N ATOM 543 CA GLU A 38 5.606 -1.684 -6.611 1.00 0.00 C ATOM 544 C GLU A 38 4.386 -2.012 -5.759 1.00 0.00 C ATOM 545 O GLU A 38 3.828 -3.111 -5.857 1.00 0.00 O ATOM 546 CB GLU A 38 5.210 -1.317 -8.047 1.00 0.00 C ATOM 547 CG GLU A 38 6.459 -1.090 -8.911 1.00 0.00 C ATOM 548 CD GLU A 38 6.164 -0.332 -10.199 1.00 0.00 C ATOM 549 OE1 GLU A 38 5.699 -0.936 -11.193 1.00 0.00 O ATOM 550 OE2 GLU A 38 6.507 0.868 -10.256 1.00 0.00 O ATOM 0 H GLU A 38 5.807 -3.720 -6.798 1.00 0.00 H new ATOM 0 HA GLU A 38 6.147 -0.830 -6.202 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.603 -2.114 -8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.596 -0.416 -8.042 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.199 -0.537 -8.332 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.903 -2.054 -9.157 1.00 0.00 H new ATOM 557 N ILE A 39 3.990 -1.072 -4.912 1.00 0.00 N ATOM 558 CA ILE A 39 2.907 -1.214 -3.954 1.00 0.00 C ATOM 559 C ILE A 39 2.024 0.001 -4.174 1.00 0.00 C ATOM 560 O ILE A 39 2.525 1.119 -4.109 1.00 0.00 O ATOM 561 CB ILE A 39 3.468 -1.277 -2.515 1.00 0.00 C ATOM 562 CG1 ILE A 39 4.383 -2.508 -2.309 1.00 0.00 C ATOM 563 CG2 ILE A 39 2.310 -1.291 -1.507 1.00 0.00 C ATOM 564 CD1 ILE A 39 5.077 -2.542 -0.942 1.00 0.00 C ATOM 0 H ILE A 39 4.433 -0.154 -4.873 1.00 0.00 H new ATOM 0 HA ILE A 39 2.341 -2.136 -4.090 1.00 0.00 H new ATOM 0 HB ILE A 39 4.079 -0.389 -2.351 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.789 -3.414 -2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.142 -2.520 -3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.710 -1.335 -0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.716 -0.385 -1.623 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.681 -2.163 -1.687 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.700 -3.433 -0.873 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.699 -1.654 -0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.325 -2.562 -0.153 1.00 0.00 H new ATOM 576 N ILE A 40 0.738 -0.198 -4.446 1.00 0.00 N ATOM 577 CA ILE A 40 -0.166 0.866 -4.838 1.00 0.00 C ATOM 578 C ILE A 40 -1.331 0.852 -3.849 1.00 0.00 C ATOM 579 O ILE A 40 -2.229 0.017 -3.946 1.00 0.00 O ATOM 580 CB ILE A 40 -0.578 0.723 -6.325 1.00 0.00 C ATOM 581 CG1 ILE A 40 0.587 0.627 -7.345 1.00 0.00 C ATOM 582 CG2 ILE A 40 -1.420 1.952 -6.690 1.00 0.00 C ATOM 583 CD1 ILE A 40 1.246 -0.753 -7.482 1.00 0.00 C ATOM 0 H ILE A 40 0.294 -1.115 -4.398 1.00 0.00 H new ATOM 0 HA ILE A 40 0.309 1.846 -4.789 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.111 -0.225 -6.398 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.213 0.929 -8.324 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.354 1.348 -7.061 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.728 1.885 -7.733 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.303 1.990 -6.052 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.828 2.855 -6.544 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.046 -0.703 -8.221 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.659 -1.056 -6.520 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.501 -1.482 -7.803 1.00 0.00 H new ATOM 595 N ILE A 41 -1.280 1.724 -2.842 1.00 0.00 N ATOM 596 CA ILE A 41 -2.330 1.870 -1.840 1.00 0.00 C ATOM 597 C ILE A 41 -3.564 2.456 -2.528 1.00 0.00 C ATOM 598 O ILE A 41 -3.479 3.523 -3.141 1.00 0.00 O ATOM 599 CB ILE A 41 -1.834 2.763 -0.678 1.00 0.00 C ATOM 600 CG1 ILE A 41 -0.767 2.028 0.166 1.00 0.00 C ATOM 601 CG2 ILE A 41 -3.024 3.129 0.223 1.00 0.00 C ATOM 602 CD1 ILE A 41 0.672 2.245 -0.298 1.00 0.00 C ATOM 0 H ILE A 41 -0.494 2.358 -2.699 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.592 0.905 -1.407 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.386 3.663 -1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.854 2.355 1.202 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.983 0.960 0.150 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.679 3.758 1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.769 3.669 -0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.469 2.219 0.626 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.351 1.693 0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.781 1.890 -1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.912 3.307 -0.254 1.00 0.00 H new ATOM 614 N LEU A 42 -4.715 1.802 -2.370 1.00 0.00 N ATOM 615 CA LEU A 42 -6.019 2.288 -2.791 1.00 0.00 C ATOM 616 C LEU A 42 -6.688 2.920 -1.576 1.00 0.00 C ATOM 617 O LEU A 42 -7.065 2.207 -0.637 1.00 0.00 O ATOM 618 CB LEU A 42 -6.877 1.134 -3.343 1.00 0.00 C ATOM 619 CG LEU A 42 -6.248 0.362 -4.517 1.00 0.00 C ATOM 620 CD1 LEU A 42 -7.204 -0.762 -4.927 1.00 0.00 C ATOM 621 CD2 LEU A 42 -5.961 1.270 -5.718 1.00 0.00 C ATOM 0 H LEU A 42 -4.761 0.884 -1.928 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.910 3.022 -3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.081 0.433 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.837 1.537 -3.665 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.291 -0.045 -4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.774 -1.320 -5.759 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.361 -1.433 -4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.159 -0.334 -5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.518 0.681 -6.521 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.892 1.717 -6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.269 2.058 -5.421 1.00 0.00 H new ATOM 633 N ALA A 43 -6.830 4.247 -1.580 1.00 0.00 N ATOM 634 CA ALA A 43 -7.525 4.988 -0.524 1.00 0.00 C ATOM 635 C ALA A 43 -8.134 6.269 -1.113 1.00 0.00 C ATOM 636 O ALA A 43 -7.858 6.594 -2.268 1.00 0.00 O ATOM 637 CB ALA A 43 -6.525 5.321 0.587 1.00 0.00 C ATOM 0 H ALA A 43 -6.463 4.843 -2.322 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.332 4.386 -0.106 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.031 5.873 1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.113 4.398 0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.718 5.930 0.180 1.00 0.00 H new ATOM 643 N THR A 44 -8.979 7.013 -0.384 1.00 0.00 N ATOM 644 CA THR A 44 -9.630 8.177 -0.990 1.00 0.00 C ATOM 645 C THR A 44 -8.696 9.396 -1.075 1.00 0.00 C ATOM 646 O THR A 44 -8.583 10.066 -2.105 1.00 0.00 O ATOM 647 CB THR A 44 -10.985 8.493 -0.326 1.00 0.00 C ATOM 648 OG1 THR A 44 -10.979 9.429 0.731 1.00 0.00 O ATOM 649 CG2 THR A 44 -11.818 7.311 0.159 1.00 0.00 C ATOM 0 H THR A 44 -9.220 6.837 0.591 1.00 0.00 H new ATOM 0 HA THR A 44 -9.856 7.911 -2.023 1.00 0.00 H new ATOM 0 HB THR A 44 -11.452 8.932 -1.207 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.891 9.547 1.068 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.743 7.676 0.604 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.053 6.661 -0.684 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.254 6.750 0.904 1.00 0.00 H new ATOM 657 N ARG A 45 -8.037 9.712 0.034 1.00 0.00 N ATOM 658 CA ARG A 45 -7.341 10.967 0.284 1.00 0.00 C ATOM 659 C ARG A 45 -5.873 10.793 -0.074 1.00 0.00 C ATOM 660 O ARG A 45 -5.020 10.807 0.811 1.00 0.00 O ATOM 661 CB ARG A 45 -7.510 11.381 1.760 1.00 0.00 C ATOM 662 CG ARG A 45 -8.956 11.329 2.256 1.00 0.00 C ATOM 663 CD ARG A 45 -9.103 11.935 3.656 1.00 0.00 C ATOM 664 NE ARG A 45 -9.461 13.349 3.548 1.00 0.00 N ATOM 665 CZ ARG A 45 -10.700 13.821 3.375 1.00 0.00 C ATOM 666 NH1 ARG A 45 -11.767 13.047 3.560 1.00 0.00 N ATOM 667 NH2 ARG A 45 -10.857 15.074 2.975 1.00 0.00 N ATOM 0 H ARG A 45 -7.971 9.067 0.822 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.764 11.760 -0.332 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.899 10.728 2.383 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.128 12.394 1.889 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.598 11.867 1.559 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.298 10.294 2.271 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.869 11.398 4.216 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.170 11.828 4.209 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.704 14.030 3.610 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.648 12.073 3.839 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.703 13.428 3.422 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.040 15.661 2.804 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.794 15.452 2.838 1.00 0.00 H new ATOM 681 N THR A 46 -5.552 10.654 -1.357 1.00 0.00 N ATOM 682 CA THR A 46 -4.187 10.380 -1.802 1.00 0.00 C ATOM 683 C THR A 46 -3.172 11.385 -1.233 1.00 0.00 C ATOM 684 O THR A 46 -2.067 10.999 -0.862 1.00 0.00 O ATOM 685 CB THR A 46 -4.157 10.285 -3.338 1.00 0.00 C ATOM 686 OG1 THR A 46 -4.932 11.304 -3.959 1.00 0.00 O ATOM 687 CG2 THR A 46 -4.755 8.947 -3.775 1.00 0.00 C ATOM 0 H THR A 46 -6.228 10.728 -2.117 1.00 0.00 H new ATOM 0 HA THR A 46 -3.873 9.416 -1.402 1.00 0.00 H new ATOM 0 HB THR A 46 -3.115 10.391 -3.639 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.882 11.205 -4.933 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.735 8.877 -4.863 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.172 8.131 -3.348 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.785 8.878 -3.426 1.00 0.00 H new ATOM 695 N GLN A 47 -3.549 12.658 -1.062 1.00 0.00 N ATOM 696 CA GLN A 47 -2.693 13.654 -0.424 1.00 0.00 C ATOM 697 C GLN A 47 -2.378 13.291 1.027 1.00 0.00 C ATOM 698 O GLN A 47 -1.227 13.395 1.445 1.00 0.00 O ATOM 699 CB GLN A 47 -3.374 15.031 -0.491 1.00 0.00 C ATOM 700 CG GLN A 47 -2.550 16.153 0.164 1.00 0.00 C ATOM 701 CD GLN A 47 -1.245 16.431 -0.566 1.00 0.00 C ATOM 702 OE1 GLN A 47 -1.263 16.907 -1.700 1.00 0.00 O ATOM 703 NE2 GLN A 47 -0.114 16.160 0.057 1.00 0.00 N ATOM 0 H GLN A 47 -4.454 13.021 -1.362 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.746 13.682 -0.963 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.557 15.287 -1.535 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.346 14.971 -0.002 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.146 17.065 0.193 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.332 15.882 1.197 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.132 15.766 0.997 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.778 16.345 -0.402 1.00 0.00 H new ATOM 712 N ASN A 48 -3.400 12.913 1.797 1.00 0.00 N ATOM 713 CA ASN A 48 -3.258 12.610 3.215 1.00 0.00 C ATOM 714 C ASN A 48 -2.323 11.414 3.378 1.00 0.00 C ATOM 715 O ASN A 48 -1.380 11.500 4.161 1.00 0.00 O ATOM 716 CB ASN A 48 -4.639 12.356 3.842 1.00 0.00 C ATOM 717 CG ASN A 48 -4.682 12.646 5.338 1.00 0.00 C ATOM 718 OD1 ASN A 48 -4.033 13.564 5.829 1.00 0.00 O ATOM 719 ND2 ASN A 48 -5.519 11.946 6.078 1.00 0.00 N ATOM 0 H ASN A 48 -4.353 12.809 1.449 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.819 13.458 3.740 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.380 12.976 3.337 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.923 11.318 3.671 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.631 12.166 7.068 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.054 11.185 5.661 1.00 0.00 H new ATOM 726 N VAL A 49 -2.519 10.392 2.534 1.00 0.00 N ATOM 727 CA VAL A 49 -1.746 9.152 2.478 1.00 0.00 C ATOM 728 C VAL A 49 -0.285 9.476 2.159 1.00 0.00 C ATOM 729 O VAL A 49 0.624 9.033 2.863 1.00 0.00 O ATOM 730 CB VAL A 49 -2.358 8.210 1.412 1.00 0.00 C ATOM 731 CG1 VAL A 49 -1.566 6.907 1.222 1.00 0.00 C ATOM 732 CG2 VAL A 49 -3.818 7.833 1.707 1.00 0.00 C ATOM 0 H VAL A 49 -3.262 10.413 1.836 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.781 8.645 3.442 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.310 8.798 0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.050 6.295 0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.550 7.142 0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.536 6.359 2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.188 7.172 0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.875 7.323 2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.428 8.736 1.738 1.00 0.00 H new ATOM 742 N LEU A 50 -0.041 10.251 1.092 1.00 0.00 N ATOM 743 CA LEU A 50 1.310 10.669 0.726 1.00 0.00 C ATOM 744 C LEU A 50 1.954 11.438 1.877 1.00 0.00 C ATOM 745 O LEU A 50 3.166 11.369 2.083 1.00 0.00 O ATOM 746 CB LEU A 50 1.305 11.515 -0.560 1.00 0.00 C ATOM 747 CG LEU A 50 1.032 10.701 -1.841 1.00 0.00 C ATOM 748 CD1 LEU A 50 0.730 11.660 -2.999 1.00 0.00 C ATOM 749 CD2 LEU A 50 2.213 9.802 -2.222 1.00 0.00 C ATOM 0 H LEU A 50 -0.769 10.600 0.468 1.00 0.00 H new ATOM 0 HA LEU A 50 1.900 9.774 0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.548 12.294 -0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.268 12.016 -0.658 1.00 0.00 H new ATOM 0 HG LEU A 50 0.176 10.055 -1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.537 11.086 -3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.147 12.260 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.585 12.316 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.972 9.250 -3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.097 10.416 -2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.412 9.100 -1.412 1.00 0.00 H new ATOM 761 N GLY A 51 1.148 12.166 2.642 1.00 0.00 N ATOM 762 CA GLY A 51 1.599 13.073 3.664 1.00 0.00 C ATOM 763 C GLY A 51 2.123 14.350 3.021 1.00 0.00 C ATOM 764 O GLY A 51 2.174 14.495 1.794 1.00 0.00 O ATOM 0 H GLY A 51 0.132 12.132 2.557 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.780 13.306 4.344 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.384 12.605 4.259 1.00 0.00 H new ATOM 768 N GLU A 52 2.549 15.269 3.876 1.00 0.00 N ATOM 769 CA GLU A 52 3.136 16.543 3.511 1.00 0.00 C ATOM 770 C GLU A 52 4.331 16.335 2.577 1.00 0.00 C ATOM 771 O GLU A 52 5.394 15.881 3.009 1.00 0.00 O ATOM 772 CB GLU A 52 3.523 17.262 4.806 1.00 0.00 C ATOM 773 CG GLU A 52 4.235 18.584 4.521 1.00 0.00 C ATOM 774 CD GLU A 52 4.348 19.407 5.798 1.00 0.00 C ATOM 775 OE1 GLU A 52 5.026 18.954 6.746 1.00 0.00 O ATOM 776 OE2 GLU A 52 3.696 20.480 5.866 1.00 0.00 O ATOM 0 H GLU A 52 2.491 15.138 4.886 1.00 0.00 H new ATOM 0 HA GLU A 52 2.426 17.159 2.960 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.629 17.450 5.400 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.172 16.619 5.401 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.228 18.390 4.115 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.686 19.146 3.765 1.00 0.00 H new ATOM 783 N LYS A 53 4.161 16.664 1.293 1.00 0.00 N ATOM 784 CA LYS A 53 5.206 16.536 0.276 1.00 0.00 C ATOM 785 C LYS A 53 5.889 15.165 0.318 1.00 0.00 C ATOM 786 O LYS A 53 7.115 15.045 0.298 1.00 0.00 O ATOM 787 CB LYS A 53 6.153 17.746 0.401 1.00 0.00 C ATOM 788 CG LYS A 53 5.534 18.988 -0.253 1.00 0.00 C ATOM 789 CD LYS A 53 5.767 18.923 -1.769 1.00 0.00 C ATOM 790 CE LYS A 53 4.602 19.467 -2.593 1.00 0.00 C ATOM 791 NZ LYS A 53 4.752 19.120 -4.023 1.00 0.00 N ATOM 0 H LYS A 53 3.282 17.031 0.927 1.00 0.00 H new ATOM 0 HA LYS A 53 4.775 16.564 -0.725 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.358 17.947 1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.108 17.517 -0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.466 19.034 -0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.982 19.893 0.158 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.668 19.486 -2.014 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.951 17.887 -2.055 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.664 19.061 -2.214 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.549 20.550 -2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.947 19.502 -4.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.636 19.528 -4.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.779 18.086 -4.128 1.00 0.00 H new ATOM 805 N GLY A 54 5.078 14.106 0.315 1.00 0.00 N ATOM 806 CA GLY A 54 5.542 12.729 0.353 1.00 0.00 C ATOM 807 C GLY A 54 6.291 12.462 1.654 1.00 0.00 C ATOM 808 O GLY A 54 7.479 12.137 1.626 1.00 0.00 O ATOM 0 H GLY A 54 4.062 14.189 0.285 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.694 12.049 0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.195 12.534 -0.498 1.00 0.00 H new ATOM 812 N ARG A 55 5.628 12.650 2.797 1.00 0.00 N ATOM 813 CA ARG A 55 6.183 12.387 4.125 1.00 0.00 C ATOM 814 C ARG A 55 5.824 10.980 4.586 1.00 0.00 C ATOM 815 O ARG A 55 6.718 10.132 4.649 1.00 0.00 O ATOM 816 CB ARG A 55 5.720 13.470 5.122 1.00 0.00 C ATOM 817 CG ARG A 55 6.831 14.488 5.415 1.00 0.00 C ATOM 818 CD ARG A 55 7.826 13.950 6.451 1.00 0.00 C ATOM 819 NE ARG A 55 9.032 14.789 6.517 1.00 0.00 N ATOM 820 CZ ARG A 55 9.791 15.032 7.587 1.00 0.00 C ATOM 821 NH1 ARG A 55 9.534 14.441 8.748 1.00 0.00 N ATOM 822 NH2 ARG A 55 10.810 15.878 7.482 1.00 0.00 N ATOM 0 H ARG A 55 4.669 12.997 2.825 1.00 0.00 H new ATOM 0 HA ARG A 55 7.271 12.437 4.076 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.850 13.988 4.718 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.406 12.997 6.052 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.359 14.728 4.492 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.389 15.415 5.780 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.351 13.915 7.431 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.105 12.928 6.195 1.00 0.00 H new ATOM 0 HE ARG A 55 9.321 15.236 5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.750 13.794 8.828 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.121 14.634 9.560 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.005 16.334 6.590 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.397 16.072 8.293 1.00 0.00 H new ATOM 836 N ARG A 56 4.547 10.706 4.867 1.00 0.00 N ATOM 837 CA ARG A 56 4.129 9.411 5.404 1.00 0.00 C ATOM 838 C ARG A 56 4.442 8.283 4.435 1.00 0.00 C ATOM 839 O ARG A 56 4.894 7.240 4.876 1.00 0.00 O ATOM 840 CB ARG A 56 2.640 9.384 5.797 1.00 0.00 C ATOM 841 CG ARG A 56 2.389 9.869 7.236 1.00 0.00 C ATOM 842 CD ARG A 56 1.879 11.304 7.351 1.00 0.00 C ATOM 843 NE ARG A 56 0.457 11.368 6.969 1.00 0.00 N ATOM 844 CZ ARG A 56 -0.515 12.100 7.523 1.00 0.00 C ATOM 845 NH1 ARG A 56 -0.253 13.020 8.452 1.00 0.00 N ATOM 846 NH2 ARG A 56 -1.755 11.903 7.102 1.00 0.00 N ATOM 0 H ARG A 56 3.783 11.368 4.730 1.00 0.00 H new ATOM 0 HA ARG A 56 4.707 9.258 6.316 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.076 10.009 5.105 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.260 8.368 5.690 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.666 9.203 7.707 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.318 9.782 7.800 1.00 0.00 H new ATOM 0 HD2 ARG A 56 2.006 11.662 8.373 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.466 11.960 6.708 1.00 0.00 H new ATOM 0 HE ARG A 56 0.180 10.780 6.183 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.708 13.179 8.756 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.013 13.565 8.859 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.944 11.210 6.377 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.522 12.444 7.503 1.00 0.00 H new ATOM 860 N ILE A 57 4.285 8.485 3.128 1.00 0.00 N ATOM 861 CA ILE A 57 4.636 7.461 2.142 1.00 0.00 C ATOM 862 C ILE A 57 6.101 7.012 2.297 1.00 0.00 C ATOM 863 O ILE A 57 6.388 5.817 2.285 1.00 0.00 O ATOM 864 CB ILE A 57 4.270 7.983 0.747 1.00 0.00 C ATOM 865 CG1 ILE A 57 4.242 6.878 -0.323 1.00 0.00 C ATOM 866 CG2 ILE A 57 5.137 9.178 0.323 1.00 0.00 C ATOM 867 CD1 ILE A 57 2.903 6.129 -0.358 1.00 0.00 C ATOM 0 H ILE A 57 3.917 9.347 2.726 1.00 0.00 H new ATOM 0 HA ILE A 57 4.060 6.550 2.307 1.00 0.00 H new ATOM 0 HB ILE A 57 3.246 8.349 0.828 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.434 7.319 -1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.047 6.169 -0.130 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.838 9.510 -0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.004 9.994 1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.185 8.879 0.306 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.936 5.360 -1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.721 5.663 0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.099 6.831 -0.579 1.00 0.00 H new ATOM 879 N ARG A 58 7.044 7.942 2.504 1.00 0.00 N ATOM 880 CA ARG A 58 8.442 7.629 2.711 1.00 0.00 C ATOM 881 C ARG A 58 8.669 7.014 4.089 1.00 0.00 C ATOM 882 O ARG A 58 9.489 6.108 4.209 1.00 0.00 O ATOM 883 CB ARG A 58 9.260 8.912 2.557 1.00 0.00 C ATOM 884 CG ARG A 58 9.309 9.471 1.127 1.00 0.00 C ATOM 885 CD ARG A 58 10.201 10.723 1.047 1.00 0.00 C ATOM 886 NE ARG A 58 11.465 10.490 0.329 1.00 0.00 N ATOM 887 CZ ARG A 58 12.607 10.004 0.827 1.00 0.00 C ATOM 888 NH1 ARG A 58 12.705 9.675 2.112 1.00 0.00 N ATOM 889 NH2 ARG A 58 13.649 9.858 0.018 1.00 0.00 N ATOM 0 H ARG A 58 6.842 8.941 2.530 1.00 0.00 H new ATOM 0 HA ARG A 58 8.759 6.896 1.970 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.845 9.674 3.217 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.279 8.720 2.893 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.689 8.707 0.448 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.300 9.719 0.796 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.651 11.522 0.550 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.423 11.068 2.057 1.00 0.00 H new ATOM 0 HE ARG A 58 11.470 10.727 -0.663 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.903 9.792 2.731 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.582 9.305 2.478 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.571 10.115 -0.966 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.528 9.489 0.380 1.00 0.00 H new ATOM 903 N GLU A 59 7.936 7.467 5.114 1.00 0.00 N ATOM 904 CA GLU A 59 8.045 6.920 6.458 1.00 0.00 C ATOM 905 C GLU A 59 7.705 5.437 6.378 1.00 0.00 C ATOM 906 O GLU A 59 8.519 4.571 6.694 1.00 0.00 O ATOM 907 CB GLU A 59 7.198 7.739 7.467 1.00 0.00 C ATOM 908 CG GLU A 59 5.923 7.103 8.052 1.00 0.00 C ATOM 909 CD GLU A 59 5.262 7.870 9.203 1.00 0.00 C ATOM 910 OE1 GLU A 59 5.953 8.609 9.934 1.00 0.00 O ATOM 911 OE2 GLU A 59 4.038 7.695 9.417 1.00 0.00 O ATOM 0 H GLU A 59 7.255 8.221 5.028 1.00 0.00 H new ATOM 0 HA GLU A 59 9.059 7.003 6.849 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.846 8.007 8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.908 8.669 6.977 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.194 6.991 7.249 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.168 6.100 8.402 1.00 0.00 H new ATOM 918 N LEU A 60 6.514 5.144 5.870 1.00 0.00 N ATOM 919 CA LEU A 60 5.979 3.814 5.776 1.00 0.00 C ATOM 920 C LEU A 60 6.747 2.973 4.769 1.00 0.00 C ATOM 921 O LEU A 60 6.760 1.763 4.946 1.00 0.00 O ATOM 922 CB LEU A 60 4.488 3.880 5.445 1.00 0.00 C ATOM 923 CG LEU A 60 3.620 4.279 6.653 1.00 0.00 C ATOM 924 CD1 LEU A 60 2.308 4.912 6.193 1.00 0.00 C ATOM 925 CD2 LEU A 60 3.327 3.065 7.532 1.00 0.00 C ATOM 0 H LEU A 60 5.883 5.857 5.504 1.00 0.00 H new ATOM 0 HA LEU A 60 6.095 3.321 6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.332 4.598 4.640 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.160 2.909 5.074 1.00 0.00 H new ATOM 0 HG LEU A 60 4.178 5.011 7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.711 5.186 7.063 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.521 5.804 5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.754 4.198 5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.713 3.369 8.379 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.795 2.314 6.949 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.264 2.645 7.896 1.00 0.00 H new ATOM 937 N THR A 61 7.451 3.557 3.794 1.00 0.00 N ATOM 938 CA THR A 61 8.418 2.811 2.997 1.00 0.00 C ATOM 939 C THR A 61 9.470 2.207 3.926 1.00 0.00 C ATOM 940 O THR A 61 9.622 0.990 3.937 1.00 0.00 O ATOM 941 CB THR A 61 9.048 3.688 1.905 1.00 0.00 C ATOM 942 OG1 THR A 61 8.037 4.129 1.022 1.00 0.00 O ATOM 943 CG2 THR A 61 10.084 2.912 1.081 1.00 0.00 C ATOM 0 H THR A 61 7.367 4.542 3.542 1.00 0.00 H new ATOM 0 HA THR A 61 7.906 2.003 2.475 1.00 0.00 H new ATOM 0 HB THR A 61 9.541 4.525 2.399 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.566 4.892 1.418 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.507 3.567 0.319 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.879 2.558 1.737 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.603 2.060 0.601 1.00 0.00 H new ATOM 951 N ALA A 62 10.176 3.012 4.724 1.00 0.00 N ATOM 952 CA ALA A 62 11.214 2.514 5.624 1.00 0.00 C ATOM 953 C ALA A 62 10.650 1.584 6.700 1.00 0.00 C ATOM 954 O ALA A 62 11.383 0.745 7.228 1.00 0.00 O ATOM 955 CB ALA A 62 11.876 3.708 6.316 1.00 0.00 C ATOM 0 H ALA A 62 10.044 4.023 4.763 1.00 0.00 H new ATOM 0 HA ALA A 62 11.929 1.947 5.028 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.654 3.352 6.992 1.00 0.00 H new ATOM 0 HB2 ALA A 62 12.319 4.363 5.566 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.127 4.260 6.884 1.00 0.00 H new ATOM 961 N VAL A 63 9.382 1.737 7.090 1.00 0.00 N ATOM 962 CA VAL A 63 8.707 0.763 7.939 1.00 0.00 C ATOM 963 C VAL A 63 8.590 -0.544 7.152 1.00 0.00 C ATOM 964 O VAL A 63 9.184 -1.531 7.565 1.00 0.00 O ATOM 965 CB VAL A 63 7.343 1.279 8.425 1.00 0.00 C ATOM 966 CG1 VAL A 63 6.669 0.265 9.358 1.00 0.00 C ATOM 967 CG2 VAL A 63 7.407 2.597 9.200 1.00 0.00 C ATOM 0 H VAL A 63 8.802 2.534 6.827 1.00 0.00 H new ATOM 0 HA VAL A 63 9.288 0.589 8.845 1.00 0.00 H new ATOM 0 HB VAL A 63 6.779 1.435 7.505 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.706 0.657 9.686 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.517 -0.674 8.826 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.305 0.091 10.226 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.402 2.889 9.505 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.032 2.469 10.084 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.832 3.373 8.564 1.00 0.00 H new ATOM 977 N VAL A 64 7.857 -0.560 6.035 1.00 0.00 N ATOM 978 CA VAL A 64 7.568 -1.729 5.205 1.00 0.00 C ATOM 979 C VAL A 64 8.853 -2.453 4.821 1.00 0.00 C ATOM 980 O VAL A 64 8.906 -3.676 4.915 1.00 0.00 O ATOM 981 CB VAL A 64 6.740 -1.286 3.972 1.00 0.00 C ATOM 982 CG1 VAL A 64 6.742 -2.271 2.793 1.00 0.00 C ATOM 983 CG2 VAL A 64 5.287 -1.035 4.400 1.00 0.00 C ATOM 0 H VAL A 64 7.427 0.289 5.667 1.00 0.00 H new ATOM 0 HA VAL A 64 6.972 -2.446 5.769 1.00 0.00 H new ATOM 0 HB VAL A 64 7.227 -0.381 3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.135 -1.869 1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.764 -2.418 2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.329 -3.226 3.116 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.702 -0.723 3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.865 -1.952 4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.261 -0.251 5.157 1.00 0.00 H new ATOM 993 N GLN A 65 9.893 -1.718 4.434 1.00 0.00 N ATOM 994 CA GLN A 65 11.183 -2.265 4.063 1.00 0.00 C ATOM 995 C GLN A 65 11.729 -3.164 5.170 1.00 0.00 C ATOM 996 O GLN A 65 12.130 -4.289 4.887 1.00 0.00 O ATOM 997 CB GLN A 65 12.132 -1.119 3.657 1.00 0.00 C ATOM 998 CG GLN A 65 12.147 -1.011 2.128 1.00 0.00 C ATOM 999 CD GLN A 65 13.052 0.080 1.569 1.00 0.00 C ATOM 1000 OE1 GLN A 65 12.639 0.880 0.741 1.00 0.00 O ATOM 1001 NE2 GLN A 65 14.303 0.170 1.976 1.00 0.00 N ATOM 0 H GLN A 65 9.854 -0.701 4.370 1.00 0.00 H new ATOM 0 HA GLN A 65 11.082 -2.911 3.191 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.800 -0.179 4.099 1.00 0.00 H new ATOM 0 HB3 GLN A 65 13.137 -1.310 4.032 1.00 0.00 H new ATOM 0 HG2 GLN A 65 12.460 -1.969 1.714 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.129 -0.831 1.781 1.00 0.00 H new ATOM 0 HE21 GLN A 65 14.663 -0.489 2.666 1.00 0.00 H new ATOM 0 HE22 GLN A 65 14.910 0.899 1.601 1.00 0.00 H new ATOM 1010 N LYS A 66 11.657 -2.724 6.426 1.00 0.00 N ATOM 1011 CA LYS A 66 12.006 -3.534 7.582 1.00 0.00 C ATOM 1012 C LYS A 66 10.938 -4.609 7.798 1.00 0.00 C ATOM 1013 O LYS A 66 11.256 -5.796 7.760 1.00 0.00 O ATOM 1014 CB LYS A 66 12.252 -2.578 8.763 1.00 0.00 C ATOM 1015 CG LYS A 66 12.052 -3.176 10.159 1.00 0.00 C ATOM 1016 CD LYS A 66 12.746 -2.282 11.193 1.00 0.00 C ATOM 1017 CE LYS A 66 12.274 -2.544 12.625 1.00 0.00 C ATOM 1018 NZ LYS A 66 11.070 -1.763 12.974 1.00 0.00 N ATOM 0 H LYS A 66 11.350 -1.782 6.667 1.00 0.00 H new ATOM 0 HA LYS A 66 12.929 -4.098 7.448 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.272 -2.200 8.693 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.587 -1.721 8.657 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.989 -3.256 10.385 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.463 -4.185 10.198 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.823 -2.440 11.137 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.564 -1.237 10.942 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.062 -3.606 12.746 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.077 -2.298 13.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.790 -1.975 13.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.277 -0.748 12.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.294 -2.015 12.330 1.00 0.00 H new ATOM 1032 N ARG A 67 9.671 -4.225 7.982 1.00 0.00 N ATOM 1033 CA ARG A 67 8.538 -5.090 8.338 1.00 0.00 C ATOM 1034 C ARG A 67 8.485 -6.342 7.473 1.00 0.00 C ATOM 1035 O ARG A 67 8.300 -7.440 7.991 1.00 0.00 O ATOM 1036 CB ARG A 67 7.220 -4.297 8.207 1.00 0.00 C ATOM 1037 CG ARG A 67 6.082 -4.708 9.157 1.00 0.00 C ATOM 1038 CD ARG A 67 5.373 -6.025 8.798 1.00 0.00 C ATOM 1039 NE ARG A 67 5.950 -7.181 9.504 1.00 0.00 N ATOM 1040 CZ ARG A 67 5.467 -7.777 10.599 1.00 0.00 C ATOM 1041 NH1 ARG A 67 4.368 -7.336 11.190 1.00 0.00 N ATOM 1042 NH2 ARG A 67 6.110 -8.812 11.122 1.00 0.00 N ATOM 0 H ARG A 67 9.391 -3.249 7.881 1.00 0.00 H new ATOM 0 HA ARG A 67 8.673 -5.413 9.370 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.438 -3.241 8.370 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.862 -4.394 7.182 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.486 -4.795 10.166 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.341 -3.909 9.178 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.314 -5.944 9.044 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.439 -6.189 7.722 1.00 0.00 H new ATOM 0 HE ARG A 67 6.810 -7.569 9.116 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.874 -6.528 10.811 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.015 -7.804 12.025 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.969 -9.150 10.689 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.745 -9.270 11.957 1.00 0.00 H new ATOM 1056 N PHE A 68 8.618 -6.178 6.162 1.00 0.00 N ATOM 1057 CA PHE A 68 8.458 -7.224 5.162 1.00 0.00 C ATOM 1058 C PHE A 68 9.813 -7.732 4.663 1.00 0.00 C ATOM 1059 O PHE A 68 9.856 -8.741 3.961 1.00 0.00 O ATOM 1060 CB PHE A 68 7.565 -6.666 4.043 1.00 0.00 C ATOM 1061 CG PHE A 68 6.143 -6.467 4.507 1.00 0.00 C ATOM 1062 CD1 PHE A 68 5.256 -7.555 4.453 1.00 0.00 C ATOM 1063 CD2 PHE A 68 5.714 -5.236 5.038 1.00 0.00 C ATOM 1064 CE1 PHE A 68 3.933 -7.406 4.892 1.00 0.00 C ATOM 1065 CE2 PHE A 68 4.398 -5.096 5.513 1.00 0.00 C ATOM 1066 CZ PHE A 68 3.511 -6.181 5.434 1.00 0.00 C ATOM 0 H PHE A 68 8.850 -5.274 5.751 1.00 0.00 H new ATOM 0 HA PHE A 68 7.974 -8.101 5.592 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.970 -5.716 3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 68 7.578 -7.349 3.193 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.594 -8.508 4.073 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.395 -4.399 5.081 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.240 -8.231 4.814 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.071 -4.158 5.937 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.498 -6.073 5.792 1.00 0.00 H new ATOM 1076 N GLY A 69 10.915 -7.084 5.058 1.00 0.00 N ATOM 1077 CA GLY A 69 12.262 -7.453 4.660 1.00 0.00 C ATOM 1078 C GLY A 69 12.456 -7.291 3.162 1.00 0.00 C ATOM 1079 O GLY A 69 13.006 -8.183 2.516 1.00 0.00 O ATOM 0 H GLY A 69 10.886 -6.273 5.676 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.984 -6.833 5.192 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.458 -8.487 4.945 1.00 0.00 H new ATOM 1083 N PHE A 70 11.989 -6.176 2.596 1.00 0.00 N ATOM 1084 CA PHE A 70 12.234 -5.902 1.190 1.00 0.00 C ATOM 1085 C PHE A 70 13.718 -5.590 0.978 1.00 0.00 C ATOM 1086 O PHE A 70 14.313 -4.867 1.790 1.00 0.00 O ATOM 1087 CB PHE A 70 11.381 -4.739 0.681 1.00 0.00 C ATOM 1088 CG PHE A 70 9.989 -5.154 0.273 1.00 0.00 C ATOM 1089 CD1 PHE A 70 9.798 -5.838 -0.942 1.00 0.00 C ATOM 1090 CD2 PHE A 70 8.891 -4.870 1.103 1.00 0.00 C ATOM 1091 CE1 PHE A 70 8.511 -6.245 -1.323 1.00 0.00 C ATOM 1092 CE2 PHE A 70 7.602 -5.272 0.719 1.00 0.00 C ATOM 1093 CZ PHE A 70 7.416 -5.964 -0.492 1.00 0.00 C ATOM 0 H PHE A 70 11.448 -5.463 3.085 1.00 0.00 H new ATOM 0 HA PHE A 70 11.956 -6.790 0.622 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.313 -3.980 1.460 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.880 -4.278 -0.171 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.643 -6.050 -1.581 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.039 -4.344 2.034 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.363 -6.773 -2.253 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.755 -5.051 1.352 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.425 -6.280 -0.783 1.00 0.00 H new ATOM 1103 N PRO A 71 14.312 -6.057 -0.134 1.00 0.00 N ATOM 1104 CA PRO A 71 15.557 -5.496 -0.617 1.00 0.00 C ATOM 1105 C PRO A 71 15.346 -3.996 -0.871 1.00 0.00 C ATOM 1106 O PRO A 71 14.360 -3.583 -1.489 1.00 0.00 O ATOM 1107 CB PRO A 71 15.935 -6.291 -1.872 1.00 0.00 C ATOM 1108 CG PRO A 71 14.931 -7.441 -1.956 1.00 0.00 C ATOM 1109 CD PRO A 71 13.752 -6.975 -1.111 1.00 0.00 C ATOM 0 HA PRO A 71 16.378 -5.573 0.095 1.00 0.00 H new ATOM 0 HB2 PRO A 71 15.886 -5.663 -2.762 1.00 0.00 H new ATOM 0 HB3 PRO A 71 16.956 -6.667 -1.804 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.631 -7.632 -2.986 1.00 0.00 H new ATOM 0 HG3 PRO A 71 15.355 -8.368 -1.570 1.00 0.00 H new ATOM 0 HD2 PRO A 71 12.999 -6.482 -1.726 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.262 -7.817 -0.622 1.00 0.00 H new ATOM 1117 N GLU A 72 16.226 -3.181 -0.300 1.00 0.00 N ATOM 1118 CA GLU A 72 16.173 -1.729 -0.331 1.00 0.00 C ATOM 1119 C GLU A 72 16.366 -1.187 -1.750 1.00 0.00 C ATOM 1120 O GLU A 72 17.483 -1.084 -2.259 1.00 0.00 O ATOM 1121 CB GLU A 72 17.156 -1.137 0.686 1.00 0.00 C ATOM 1122 CG GLU A 72 18.578 -1.718 0.656 1.00 0.00 C ATOM 1123 CD GLU A 72 19.012 -2.100 2.068 1.00 0.00 C ATOM 1124 OE1 GLU A 72 18.420 -3.046 2.637 1.00 0.00 O ATOM 1125 OE2 GLU A 72 19.917 -1.417 2.610 1.00 0.00 O ATOM 0 H GLU A 72 17.030 -3.533 0.219 1.00 0.00 H new ATOM 0 HA GLU A 72 15.176 -1.408 -0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 72 17.219 -0.062 0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 72 16.746 -1.280 1.686 1.00 0.00 H new ATOM 0 HG2 GLU A 72 18.609 -2.593 0.007 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.270 -0.987 0.238 1.00 0.00 H new ATOM 1132 N GLY A 73 15.242 -0.839 -2.379 1.00 0.00 N ATOM 1133 CA GLY A 73 15.158 -0.321 -3.737 1.00 0.00 C ATOM 1134 C GLY A 73 14.542 -1.336 -4.701 1.00 0.00 C ATOM 1135 O GLY A 73 14.196 -0.965 -5.822 1.00 0.00 O ATOM 0 H GLY A 73 14.328 -0.916 -1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.561 0.591 -3.741 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.155 -0.051 -4.084 1.00 0.00 H new ATOM 1139 N SER A 74 14.330 -2.581 -4.269 1.00 0.00 N ATOM 1140 CA SER A 74 13.439 -3.539 -4.908 1.00 0.00 C ATOM 1141 C SER A 74 11.989 -3.356 -4.424 1.00 0.00 C ATOM 1142 O SER A 74 11.191 -4.293 -4.537 1.00 0.00 O ATOM 1143 CB SER A 74 13.928 -4.964 -4.633 1.00 0.00 C ATOM 1144 OG SER A 74 15.195 -5.197 -5.222 1.00 0.00 O ATOM 0 H SER A 74 14.790 -2.957 -3.440 1.00 0.00 H new ATOM 0 HA SER A 74 13.451 -3.362 -5.983 1.00 0.00 H new ATOM 0 HB2 SER A 74 13.989 -5.128 -3.557 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.206 -5.680 -5.024 1.00 0.00 H new ATOM 0 HG SER A 74 15.482 -6.114 -5.028 1.00 0.00 H new ATOM 1150 N VAL A 75 11.619 -2.185 -3.898 1.00 0.00 N ATOM 1151 CA VAL A 75 10.255 -1.840 -3.525 1.00 0.00 C ATOM 1152 C VAL A 75 10.035 -0.348 -3.802 1.00 0.00 C ATOM 1153 O VAL A 75 10.991 0.431 -3.803 1.00 0.00 O ATOM 1154 CB VAL A 75 10.001 -2.276 -2.065 1.00 0.00 C ATOM 1155 CG1 VAL A 75 10.877 -1.554 -1.032 1.00 0.00 C ATOM 1156 CG2 VAL A 75 8.527 -2.154 -1.659 1.00 0.00 C ATOM 0 H VAL A 75 12.284 -1.433 -3.717 1.00 0.00 H new ATOM 0 HA VAL A 75 9.515 -2.373 -4.122 1.00 0.00 H new ATOM 0 HB VAL A 75 10.287 -3.328 -2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.636 -1.918 -0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.928 -1.749 -1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.690 -0.481 -1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.407 -2.474 -0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.207 -1.117 -1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.918 -2.785 -2.306 1.00 0.00 H new ATOM 1166 N GLU A 76 8.783 0.041 -4.024 1.00 0.00 N ATOM 1167 CA GLU A 76 8.311 1.407 -4.205 1.00 0.00 C ATOM 1168 C GLU A 76 6.881 1.471 -3.663 1.00 0.00 C ATOM 1169 O GLU A 76 6.176 0.459 -3.715 1.00 0.00 O ATOM 1170 CB GLU A 76 8.333 1.753 -5.703 1.00 0.00 C ATOM 1171 CG GLU A 76 9.207 2.970 -6.019 1.00 0.00 C ATOM 1172 CD GLU A 76 8.518 4.290 -5.673 1.00 0.00 C ATOM 1173 OE1 GLU A 76 8.167 4.506 -4.497 1.00 0.00 O ATOM 1174 OE2 GLU A 76 8.337 5.121 -6.597 1.00 0.00 O ATOM 0 H GLU A 76 8.022 -0.636 -4.086 1.00 0.00 H new ATOM 0 HA GLU A 76 8.945 2.120 -3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.699 0.893 -6.264 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.315 1.945 -6.042 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.142 2.896 -5.464 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.463 2.964 -7.078 1.00 0.00 H new ATOM 1181 N LEU A 77 6.442 2.633 -3.170 1.00 0.00 N ATOM 1182 CA LEU A 77 5.105 2.846 -2.613 1.00 0.00 C ATOM 1183 C LEU A 77 4.434 3.998 -3.364 1.00 0.00 C ATOM 1184 O LEU A 77 5.011 5.078 -3.502 1.00 0.00 O ATOM 1185 CB LEU A 77 5.158 3.165 -1.103 1.00 0.00 C ATOM 1186 CG LEU A 77 5.167 1.958 -0.143 1.00 0.00 C ATOM 1187 CD1 LEU A 77 6.476 1.162 -0.171 1.00 0.00 C ATOM 1188 CD2 LEU A 77 4.911 2.449 1.290 1.00 0.00 C ATOM 0 H LEU A 77 7.022 3.472 -3.147 1.00 0.00 H new ATOM 0 HA LEU A 77 4.531 1.928 -2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.051 3.760 -0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.300 3.790 -0.856 1.00 0.00 H new ATOM 0 HG LEU A 77 4.379 1.285 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.410 0.329 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.647 0.779 -1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.303 1.812 0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.916 1.599 1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.693 3.151 1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.942 2.946 1.337 1.00 0.00 H new ATOM 1200 N TYR A 78 3.195 3.778 -3.796 1.00 0.00 N ATOM 1201 CA TYR A 78 2.338 4.693 -4.534 1.00 0.00 C ATOM 1202 C TYR A 78 1.003 4.835 -3.804 1.00 0.00 C ATOM 1203 O TYR A 78 0.634 3.977 -2.995 1.00 0.00 O ATOM 1204 CB TYR A 78 2.119 4.118 -5.940 1.00 0.00 C ATOM 1205 CG TYR A 78 3.401 3.951 -6.724 1.00 0.00 C ATOM 1206 CD1 TYR A 78 3.979 5.081 -7.323 1.00 0.00 C ATOM 1207 CD2 TYR A 78 4.047 2.699 -6.809 1.00 0.00 C ATOM 1208 CE1 TYR A 78 5.219 4.983 -7.965 1.00 0.00 C ATOM 1209 CE2 TYR A 78 5.268 2.589 -7.489 1.00 0.00 C ATOM 1210 CZ TYR A 78 5.875 3.740 -8.041 1.00 0.00 C ATOM 1211 OH TYR A 78 7.155 3.716 -8.486 1.00 0.00 O ATOM 0 H TYR A 78 2.731 2.886 -3.624 1.00 0.00 H new ATOM 0 HA TYR A 78 2.800 5.678 -4.608 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.624 3.151 -5.856 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.446 4.774 -6.493 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.465 6.030 -7.288 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.602 1.828 -6.351 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.672 5.861 -8.402 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.745 1.625 -7.591 1.00 0.00 H new ATOM 0 HH TYR A 78 7.650 4.468 -8.099 1.00 0.00 H new ATOM 1221 N ALA A 79 0.252 5.894 -4.110 1.00 0.00 N ATOM 1222 CA ALA A 79 -1.064 6.157 -3.549 1.00 0.00 C ATOM 1223 C ALA A 79 -2.022 6.513 -4.685 1.00 0.00 C ATOM 1224 O ALA A 79 -1.961 7.618 -5.226 1.00 0.00 O ATOM 1225 CB ALA A 79 -0.960 7.280 -2.509 1.00 0.00 C ATOM 0 H ALA A 79 0.555 6.608 -4.773 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.453 5.274 -3.041 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.946 7.478 -2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.279 6.977 -1.713 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.581 8.184 -2.986 1.00 0.00 H new ATOM 1231 N GLU A 80 -2.951 5.612 -4.985 1.00 0.00 N ATOM 1232 CA GLU A 80 -3.976 5.773 -6.006 1.00 0.00 C ATOM 1233 C GLU A 80 -5.294 6.089 -5.319 1.00 0.00 C ATOM 1234 O GLU A 80 -5.502 5.782 -4.140 1.00 0.00 O ATOM 1235 CB GLU A 80 -4.162 4.460 -6.784 1.00 0.00 C ATOM 1236 CG GLU A 80 -3.774 4.569 -8.269 1.00 0.00 C ATOM 1237 CD GLU A 80 -4.799 5.269 -9.166 1.00 0.00 C ATOM 1238 OE1 GLU A 80 -5.407 6.296 -8.763 1.00 0.00 O ATOM 1239 OE2 GLU A 80 -4.980 4.806 -10.319 1.00 0.00 O ATOM 0 H GLU A 80 -3.012 4.715 -4.504 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.677 6.569 -6.687 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.561 3.681 -6.315 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.204 4.147 -6.710 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.827 5.105 -8.341 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.603 3.565 -8.657 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.203 6.697 -6.071 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.528 6.972 -5.569 1.00 0.00 C ATOM 1248 C LYS A 81 -8.398 5.741 -5.727 1.00 0.00 C ATOM 1249 O LYS A 81 -8.260 4.983 -6.694 1.00 0.00 O ATOM 1250 CB LYS A 81 -8.128 8.178 -6.292 1.00 0.00 C ATOM 1251 CG LYS A 81 -8.172 9.368 -5.337 1.00 0.00 C ATOM 1252 CD LYS A 81 -9.042 10.468 -5.925 1.00 0.00 C ATOM 1253 CE LYS A 81 -8.748 11.782 -5.198 1.00 0.00 C ATOM 1254 NZ LYS A 81 -9.313 12.942 -5.913 1.00 0.00 N ATOM 0 H LYS A 81 -6.040 7.006 -7.029 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.472 7.217 -4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.531 8.424 -7.170 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.132 7.943 -6.645 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.568 9.056 -4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.164 9.743 -5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.843 10.575 -6.991 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.096 10.209 -5.822 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.161 11.740 -4.190 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.670 11.908 -5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.093 13.813 -5.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.900 12.997 -6.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.345 12.835 -5.988 1.00 0.00 H new ATOM 1268 N VAL A 82 -9.384 5.625 -4.850 1.00 0.00 N ATOM 1269 CA VAL A 82 -10.544 4.771 -5.069 1.00 0.00 C ATOM 1270 C VAL A 82 -11.556 5.515 -5.948 1.00 0.00 C ATOM 1271 O VAL A 82 -11.312 6.675 -6.298 1.00 0.00 O ATOM 1272 CB VAL A 82 -11.126 4.302 -3.725 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -10.188 3.304 -3.040 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -11.421 5.433 -2.765 1.00 0.00 C ATOM 0 H VAL A 82 -9.403 6.124 -3.960 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.257 3.865 -5.602 1.00 0.00 H new ATOM 0 HB VAL A 82 -12.074 3.824 -3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.623 2.988 -2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.049 2.435 -3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.224 3.778 -2.857 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.829 5.027 -1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -10.501 5.976 -2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.146 6.112 -3.214 1.00 0.00 H new ATOM 1284 N ALA A 83 -12.662 4.849 -6.291 1.00 0.00 N ATOM 1285 CA ALA A 83 -13.798 5.223 -7.139 1.00 0.00 C ATOM 1286 C ALA A 83 -14.204 3.999 -7.970 1.00 0.00 C ATOM 1287 O ALA A 83 -13.542 2.960 -7.928 1.00 0.00 O ATOM 1288 CB ALA A 83 -13.531 6.452 -8.034 1.00 0.00 C ATOM 0 H ALA A 83 -12.799 3.905 -5.930 1.00 0.00 H new ATOM 0 HA ALA A 83 -14.617 5.531 -6.488 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -14.417 6.666 -8.631 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.298 7.314 -7.409 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.689 6.245 -8.695 1.00 0.00 H new ATOM 1294 N THR A 84 -15.272 4.156 -8.753 1.00 0.00 N ATOM 1295 CA THR A 84 -15.711 3.229 -9.791 1.00 0.00 C ATOM 1296 C THR A 84 -15.992 1.817 -9.218 1.00 0.00 C ATOM 1297 O THR A 84 -16.526 1.742 -8.104 1.00 0.00 O ATOM 1298 CB THR A 84 -14.773 3.346 -11.011 1.00 0.00 C ATOM 1299 OG1 THR A 84 -13.503 2.755 -10.822 1.00 0.00 O ATOM 1300 CG2 THR A 84 -14.575 4.780 -11.504 1.00 0.00 C ATOM 0 H THR A 84 -15.881 4.971 -8.675 1.00 0.00 H new ATOM 0 HA THR A 84 -16.692 3.499 -10.183 1.00 0.00 H new ATOM 0 HB THR A 84 -15.307 2.782 -11.776 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.365 2.575 -9.869 1.00 0.00 H new ATOM 0 HG21 THR A 84 -13.904 4.780 -12.363 1.00 0.00 H new ATOM 0 HG22 THR A 84 -15.537 5.201 -11.795 1.00 0.00 H new ATOM 0 HG23 THR A 84 -14.142 5.383 -10.706 1.00 0.00 H new ATOM 1308 N ARG A 85 -15.783 0.720 -9.970 1.00 0.00 N ATOM 1309 CA ARG A 85 -15.509 -0.619 -9.424 1.00 0.00 C ATOM 1310 C ARG A 85 -14.883 -1.537 -10.484 1.00 0.00 C ATOM 1311 O ARG A 85 -13.781 -2.034 -10.281 1.00 0.00 O ATOM 1312 CB ARG A 85 -16.747 -1.315 -8.815 1.00 0.00 C ATOM 1313 CG ARG A 85 -16.291 -2.382 -7.808 1.00 0.00 C ATOM 1314 CD ARG A 85 -17.240 -3.575 -7.671 1.00 0.00 C ATOM 1315 NE ARG A 85 -18.423 -3.298 -6.838 1.00 0.00 N ATOM 1316 CZ ARG A 85 -19.171 -4.245 -6.257 1.00 0.00 C ATOM 1317 NH1 ARG A 85 -19.007 -5.525 -6.578 1.00 0.00 N ATOM 1318 NH2 ARG A 85 -20.079 -3.895 -5.356 1.00 0.00 N ATOM 0 H ARG A 85 -15.800 0.741 -10.990 1.00 0.00 H new ATOM 0 HA ARG A 85 -14.803 -0.450 -8.611 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -17.383 -0.581 -8.320 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -17.343 -1.775 -9.603 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.309 -2.748 -8.106 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -16.173 -1.914 -6.831 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -17.569 -3.882 -8.664 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -16.694 -4.415 -7.243 1.00 0.00 H new ATOM 0 HE ARG A 85 -18.689 -2.324 -6.695 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -18.308 -5.791 -7.271 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -19.581 -6.240 -6.131 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -20.202 -2.912 -5.111 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -20.654 -4.608 -4.908 1.00 0.00 H new ATOM 1332 N GLY A 86 -15.591 -1.792 -11.588 1.00 0.00 N ATOM 1333 CA GLY A 86 -15.178 -2.700 -12.654 1.00 0.00 C ATOM 1334 C GLY A 86 -14.571 -1.909 -13.807 1.00 0.00 C ATOM 1335 O GLY A 86 -13.421 -1.491 -13.722 1.00 0.00 O ATOM 0 H GLY A 86 -16.496 -1.357 -11.767 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.451 -3.416 -12.271 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -16.035 -3.273 -13.007 1.00 0.00 H new ATOM 1339 N SER A 87 -15.365 -1.643 -14.848 1.00 0.00 N ATOM 1340 CA SER A 87 -15.158 -0.541 -15.780 1.00 0.00 C ATOM 1341 C SER A 87 -16.506 0.164 -15.957 1.00 0.00 C ATOM 1342 O SER A 87 -16.933 0.869 -15.041 1.00 0.00 O ATOM 1343 CB SER A 87 -14.514 -1.020 -17.092 1.00 0.00 C ATOM 1344 OG SER A 87 -13.105 -1.010 -17.000 1.00 0.00 O ATOM 0 H SER A 87 -16.188 -2.204 -15.068 1.00 0.00 H new ATOM 0 HA SER A 87 -14.441 0.180 -15.388 1.00 0.00 H new ATOM 0 HB2 SER A 87 -14.859 -2.028 -17.323 1.00 0.00 H new ATOM 0 HB3 SER A 87 -14.833 -0.377 -17.913 1.00 0.00 H new ATOM 0 HG SER A 87 -12.720 -1.320 -17.846 1.00 0.00 H new ATOM 1350 N GLY A 88 -17.207 -0.048 -17.066 1.00 0.00 N ATOM 1351 CA GLY A 88 -18.277 0.809 -17.560 1.00 0.00 C ATOM 1352 C GLY A 88 -17.980 1.113 -19.031 1.00 0.00 C ATOM 1353 O GLY A 88 -16.921 0.710 -19.520 1.00 0.00 O ATOM 0 H GLY A 88 -17.038 -0.854 -17.668 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -19.243 0.314 -17.458 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -18.329 1.731 -16.981 1.00 0.00 H new ATOM 1357 N PRO A 89 -18.900 1.733 -19.779 1.00 0.00 N ATOM 1358 CA PRO A 89 -18.682 2.059 -21.185 1.00 0.00 C ATOM 1359 C PRO A 89 -17.692 3.219 -21.337 1.00 0.00 C ATOM 1360 O PRO A 89 -17.661 4.109 -20.480 1.00 0.00 O ATOM 1361 CB PRO A 89 -20.066 2.456 -21.706 1.00 0.00 C ATOM 1362 CG PRO A 89 -20.798 2.982 -20.471 1.00 0.00 C ATOM 1363 CD PRO A 89 -20.229 2.129 -19.342 1.00 0.00 C ATOM 0 HA PRO A 89 -18.253 1.223 -21.737 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -19.995 3.219 -22.481 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -20.586 1.604 -22.144 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -20.607 4.043 -20.310 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -21.878 2.863 -20.561 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -20.183 2.693 -18.410 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -20.856 1.257 -19.156 1.00 0.00 H new ATOM 1371 N SER A 90 -16.984 3.271 -22.470 1.00 0.00 N ATOM 1372 CA SER A 90 -16.303 4.478 -22.946 1.00 0.00 C ATOM 1373 C SER A 90 -17.106 5.197 -24.039 1.00 0.00 C ATOM 1374 O SER A 90 -16.774 6.332 -24.389 1.00 0.00 O ATOM 1375 CB SER A 90 -14.910 4.124 -23.472 1.00 0.00 C ATOM 1376 OG SER A 90 -14.076 3.706 -22.407 1.00 0.00 O ATOM 0 H SER A 90 -16.867 2.468 -23.088 1.00 0.00 H new ATOM 0 HA SER A 90 -16.213 5.158 -22.099 1.00 0.00 H new ATOM 0 HB2 SER A 90 -14.985 3.332 -24.217 1.00 0.00 H new ATOM 0 HB3 SER A 90 -14.471 4.989 -23.970 1.00 0.00 H new ATOM 0 HG SER A 90 -13.188 3.481 -22.756 1.00 0.00 H new ATOM 1382 N SER A 91 -18.143 4.570 -24.600 1.00 0.00 N ATOM 1383 CA SER A 91 -19.141 5.200 -25.456 1.00 0.00 C ATOM 1384 C SER A 91 -20.433 4.385 -25.370 1.00 0.00 C ATOM 1385 O SER A 91 -20.418 3.236 -24.914 1.00 0.00 O ATOM 1386 CB SER A 91 -18.637 5.251 -26.904 1.00 0.00 C ATOM 1387 OG SER A 91 -17.418 5.967 -26.983 1.00 0.00 O ATOM 0 H SER A 91 -18.313 3.574 -24.463 1.00 0.00 H new ATOM 0 HA SER A 91 -19.326 6.222 -25.126 1.00 0.00 H new ATOM 0 HB2 SER A 91 -18.495 4.238 -27.281 1.00 0.00 H new ATOM 0 HB3 SER A 91 -19.385 5.726 -27.539 1.00 0.00 H new ATOM 0 HG SER A 91 -17.261 6.440 -26.139 1.00 0.00 H new ATOM 1393 N GLY A 92 -21.530 4.970 -25.834 1.00 0.00 N ATOM 1394 CA GLY A 92 -22.867 4.422 -25.899 1.00 0.00 C ATOM 1395 C GLY A 92 -23.738 5.458 -26.593 1.00 0.00 C ATOM 1396 O GLY A 92 -23.178 6.526 -26.947 1.00 0.00 O ATOM 0 H GLY A 92 -21.498 5.920 -26.204 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -22.872 3.482 -26.450 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -23.245 4.207 -24.899 1.00 0.00 H new TER 1400 GLY A 92