USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 498 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 1 MET N :NH3+ -135:sc= 0.895 (180deg=-0.737) USER MOD Set 1.2: A 22 THR OG1 : rot -93:sc= 2.01 USER MOD Set 2.1: A 13 SER OG : rot -100:sc= 0.337 USER MOD Set 2.2: A 35 HIS : no HE2:sc= -0.078 K(o=0.26,f=-1.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.289 K(o=-0.29,f=-4.2!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 12:sc= 0.261 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0123 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.0045) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0652 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.641 1.644 -4.274 1.00 0.00 N ATOM 2 CA MET A 1 -7.815 0.237 -3.819 1.00 0.00 C ATOM 3 C MET A 1 -6.693 -0.185 -2.873 1.00 0.00 C ATOM 4 O MET A 1 -5.575 0.325 -2.955 1.00 0.00 O ATOM 5 CB MET A 1 -7.847 -0.684 -5.045 1.00 0.00 C ATOM 6 CG MET A 1 -8.361 -2.084 -4.748 1.00 0.00 C ATOM 7 SD MET A 1 -10.021 -2.086 -4.040 1.00 0.00 S ATOM 8 CE MET A 1 -10.746 -3.493 -4.881 1.00 0.00 C ATOM 0 H1 MET A 1 -8.552 2.142 -4.217 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.946 2.122 -3.666 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.303 1.652 -5.257 1.00 0.00 H new ATOM 0 HA MET A 1 -8.754 0.160 -3.270 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.476 -0.231 -5.812 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.842 -0.757 -5.460 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.363 -2.668 -5.668 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.677 -2.578 -4.059 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.776 -3.625 -4.549 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.731 -3.321 -5.957 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.172 -4.390 -4.649 1.00 0.00 H new ATOM 20 N ASN A 2 -7.005 -1.118 -1.974 1.00 0.00 N ATOM 21 CA ASN A 2 -6.031 -1.613 -1.005 1.00 0.00 C ATOM 22 C ASN A 2 -5.348 -2.882 -1.512 1.00 0.00 C ATOM 23 O ASN A 2 -5.963 -3.700 -2.199 1.00 0.00 O ATOM 24 CB ASN A 2 -6.712 -1.892 0.341 1.00 0.00 C ATOM 25 CG ASN A 2 -6.488 -0.784 1.355 1.00 0.00 C ATOM 26 OD1 ASN A 2 -5.381 -0.267 1.491 1.00 0.00 O ATOM 27 ND2 ASN A 2 -7.542 -0.415 2.076 1.00 0.00 N ATOM 0 H ASN A 2 -7.927 -1.546 -1.898 1.00 0.00 H new ATOM 0 HA ASN A 2 -5.272 -0.843 -0.870 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -7.782 -2.021 0.181 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -6.335 -2.831 0.746 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -7.449 0.323 2.774 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.443 -0.870 1.932 1.00 0.00 H new ATOM 34 N VAL A 3 -4.074 -3.033 -1.159 1.00 0.00 N ATOM 35 CA VAL A 3 -3.287 -4.194 -1.561 1.00 0.00 C ATOM 36 C VAL A 3 -2.768 -4.944 -0.336 1.00 0.00 C ATOM 37 O VAL A 3 -2.352 -4.328 0.647 1.00 0.00 O ATOM 38 CB VAL A 3 -2.094 -3.787 -2.451 1.00 0.00 C ATOM 39 CG1 VAL A 3 -1.389 -5.016 -3.004 1.00 0.00 C ATOM 40 CG2 VAL A 3 -2.554 -2.877 -3.583 1.00 0.00 C ATOM 0 H VAL A 3 -3.562 -2.359 -0.590 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.945 -4.846 -2.136 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.383 -3.236 -1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.551 -4.705 -3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.020 -5.626 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.090 -5.599 -3.601 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.698 -2.601 -4.199 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.288 -3.401 -4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.006 -1.977 -3.166 1.00 0.00 H new ATOM 50 N THR A 4 -2.795 -6.276 -0.400 1.00 0.00 N ATOM 51 CA THR A 4 -2.330 -7.101 0.714 1.00 0.00 C ATOM 52 C THR A 4 -0.807 -7.098 0.782 1.00 0.00 C ATOM 53 O THR A 4 -0.131 -7.589 -0.123 1.00 0.00 O ATOM 54 CB THR A 4 -2.850 -8.535 0.579 1.00 0.00 C ATOM 55 OG1 THR A 4 -4.219 -8.539 0.214 1.00 0.00 O ATOM 56 CG2 THR A 4 -2.713 -9.343 1.854 1.00 0.00 C ATOM 0 H THR A 4 -3.132 -6.803 -1.206 1.00 0.00 H new ATOM 0 HA THR A 4 -2.722 -6.676 1.638 1.00 0.00 H new ATOM 0 HB THR A 4 -2.234 -8.995 -0.193 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.533 -9.464 0.131 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.100 -10.349 1.691 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.662 -9.400 2.138 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.279 -8.862 2.652 1.00 0.00 H new ATOM 64 N VAL A 5 -0.281 -6.534 1.867 1.00 0.00 N ATOM 65 CA VAL A 5 1.158 -6.448 2.072 1.00 0.00 C ATOM 66 C VAL A 5 1.586 -7.214 3.321 1.00 0.00 C ATOM 67 O VAL A 5 0.929 -7.141 4.363 1.00 0.00 O ATOM 68 CB VAL A 5 1.630 -4.981 2.188 1.00 0.00 C ATOM 69 CG1 VAL A 5 1.583 -4.292 0.834 1.00 0.00 C ATOM 70 CG2 VAL A 5 0.792 -4.219 3.205 1.00 0.00 C ATOM 0 H VAL A 5 -0.836 -6.128 2.620 1.00 0.00 H new ATOM 0 HA VAL A 5 1.626 -6.899 1.197 1.00 0.00 H new ATOM 0 HB VAL A 5 2.663 -4.986 2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.919 -3.260 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.235 -4.817 0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.561 -4.304 0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.144 -3.189 3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.253 -4.227 2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.884 -4.694 4.182 1.00 0.00 H new ATOM 80 N GLU A 6 2.691 -7.943 3.212 1.00 0.00 N ATOM 81 CA GLU A 6 3.204 -8.719 4.336 1.00 0.00 C ATOM 82 C GLU A 6 4.001 -7.827 5.284 1.00 0.00 C ATOM 83 O GLU A 6 5.055 -7.300 4.921 1.00 0.00 O ATOM 84 CB GLU A 6 4.081 -9.866 3.827 1.00 0.00 C ATOM 85 CG GLU A 6 4.558 -10.814 4.920 1.00 0.00 C ATOM 86 CD GLU A 6 5.994 -11.261 4.716 1.00 0.00 C ATOM 87 OE1 GLU A 6 6.318 -11.738 3.605 1.00 0.00 O ATOM 88 OE2 GLU A 6 6.796 -11.135 5.665 1.00 0.00 O ATOM 0 H GLU A 6 3.247 -8.013 2.360 1.00 0.00 H new ATOM 0 HA GLU A 6 2.359 -9.136 4.884 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.522 -10.436 3.085 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.950 -9.447 3.319 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.468 -10.321 5.888 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.909 -11.689 4.946 1.00 0.00 H new ATOM 95 N VAL A 7 3.488 -7.669 6.503 1.00 0.00 N ATOM 96 CA VAL A 7 4.143 -6.846 7.514 1.00 0.00 C ATOM 97 C VAL A 7 5.050 -7.701 8.396 1.00 0.00 C ATOM 98 O VAL A 7 4.659 -8.782 8.841 1.00 0.00 O ATOM 99 CB VAL A 7 3.111 -6.095 8.389 1.00 0.00 C ATOM 100 CG1 VAL A 7 2.216 -7.068 9.146 1.00 0.00 C ATOM 101 CG2 VAL A 7 3.811 -5.146 9.352 1.00 0.00 C ATOM 0 H VAL A 7 2.618 -8.102 6.813 1.00 0.00 H new ATOM 0 HA VAL A 7 4.748 -6.105 6.992 1.00 0.00 H new ATOM 0 HB VAL A 7 2.477 -5.506 7.726 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.502 -6.510 9.751 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.677 -7.695 8.435 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.828 -7.696 9.793 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.067 -4.628 9.958 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.477 -5.713 10.002 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.391 -4.416 8.787 1.00 0.00 H new ATOM 111 N VAL A 8 6.268 -7.215 8.635 1.00 0.00 N ATOM 112 CA VAL A 8 7.236 -7.940 9.456 1.00 0.00 C ATOM 113 C VAL A 8 6.667 -8.225 10.843 1.00 0.00 C ATOM 114 O VAL A 8 6.308 -7.304 11.580 1.00 0.00 O ATOM 115 CB VAL A 8 8.563 -7.158 9.595 1.00 0.00 C ATOM 116 CG1 VAL A 8 9.602 -7.981 10.344 1.00 0.00 C ATOM 117 CG2 VAL A 8 9.093 -6.741 8.230 1.00 0.00 C ATOM 0 H VAL A 8 6.607 -6.324 8.272 1.00 0.00 H new ATOM 0 HA VAL A 8 7.441 -8.883 8.950 1.00 0.00 H new ATOM 0 HB VAL A 8 8.361 -6.256 10.173 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.526 -7.410 10.429 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.229 -8.218 11.340 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.795 -8.905 9.800 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.027 -6.193 8.354 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.271 -7.628 7.622 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.361 -6.103 7.735 1.00 0.00 H new ATOM 127 N GLY A 9 6.581 -9.510 11.188 1.00 0.00 N ATOM 128 CA GLY A 9 6.049 -9.905 12.481 1.00 0.00 C ATOM 129 C GLY A 9 4.881 -10.864 12.351 1.00 0.00 C ATOM 130 O GLY A 9 5.033 -11.964 11.816 1.00 0.00 O ATOM 0 H GLY A 9 6.872 -10.285 10.592 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.838 -10.374 13.069 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.729 -9.017 13.027 1.00 0.00 H new ATOM 134 N GLU A 10 3.713 -10.446 12.840 1.00 0.00 N ATOM 135 CA GLU A 10 2.515 -11.280 12.774 1.00 0.00 C ATOM 136 C GLU A 10 1.394 -10.583 11.998 1.00 0.00 C ATOM 137 O GLU A 10 1.325 -9.352 11.960 1.00 0.00 O ATOM 138 CB GLU A 10 2.034 -11.633 14.186 1.00 0.00 C ATOM 139 CG GLU A 10 1.712 -10.420 15.051 1.00 0.00 C ATOM 140 CD GLU A 10 2.499 -10.390 16.350 1.00 0.00 C ATOM 141 OE1 GLU A 10 3.726 -10.627 16.311 1.00 0.00 O ATOM 142 OE2 GLU A 10 1.887 -10.125 17.406 1.00 0.00 O ATOM 0 H GLU A 10 3.572 -9.539 13.284 1.00 0.00 H new ATOM 0 HA GLU A 10 2.775 -12.197 12.245 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.145 -12.259 14.110 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.801 -12.227 14.682 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.921 -9.512 14.485 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.646 -10.416 15.279 1.00 0.00 H new ATOM 149 N GLU A 11 0.512 -11.386 11.396 1.00 0.00 N ATOM 150 CA GLU A 11 -0.628 -10.872 10.628 1.00 0.00 C ATOM 151 C GLU A 11 -0.186 -10.156 9.350 1.00 0.00 C ATOM 152 O GLU A 11 0.986 -9.813 9.184 1.00 0.00 O ATOM 153 CB GLU A 11 -1.470 -9.927 11.493 1.00 0.00 C ATOM 154 CG GLU A 11 -2.926 -9.829 11.057 1.00 0.00 C ATOM 155 CD GLU A 11 -3.893 -10.011 12.211 1.00 0.00 C ATOM 156 OE1 GLU A 11 -4.101 -9.042 12.970 1.00 0.00 O ATOM 157 OE2 GLU A 11 -4.445 -11.123 12.355 1.00 0.00 O ATOM 0 H GLU A 11 0.566 -12.404 11.426 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.232 -11.730 10.333 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.432 -10.266 12.528 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.025 -8.932 11.467 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.098 -8.858 10.593 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.126 -10.585 10.297 1.00 0.00 H new ATOM 164 N THR A 12 -1.144 -9.933 8.448 1.00 0.00 N ATOM 165 CA THR A 12 -0.883 -9.253 7.181 1.00 0.00 C ATOM 166 C THR A 12 -1.686 -7.957 7.089 1.00 0.00 C ATOM 167 O THR A 12 -2.870 -7.923 7.431 1.00 0.00 O ATOM 168 CB THR A 12 -1.212 -10.172 5.998 1.00 0.00 C ATOM 169 OG1 THR A 12 -0.817 -9.578 4.775 1.00 0.00 O ATOM 170 CG2 THR A 12 -2.683 -10.519 5.884 1.00 0.00 C ATOM 0 H THR A 12 -2.115 -10.217 8.575 1.00 0.00 H new ATOM 0 HA THR A 12 0.177 -9.004 7.140 1.00 0.00 H new ATOM 0 HB THR A 12 -0.658 -11.090 6.193 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.252 -8.798 4.957 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.837 -11.171 5.025 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.008 -11.030 6.790 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.263 -9.605 5.755 1.00 0.00 H new ATOM 178 N SER A 13 -1.029 -6.889 6.639 1.00 0.00 N ATOM 179 CA SER A 13 -1.676 -5.582 6.517 1.00 0.00 C ATOM 180 C SER A 13 -1.984 -5.247 5.060 1.00 0.00 C ATOM 181 O SER A 13 -1.396 -5.821 4.145 1.00 0.00 O ATOM 182 CB SER A 13 -0.780 -4.497 7.118 1.00 0.00 C ATOM 183 OG SER A 13 -1.136 -4.231 8.464 1.00 0.00 O ATOM 0 H SER A 13 -0.050 -6.902 6.353 1.00 0.00 H new ATOM 0 HA SER A 13 -2.619 -5.622 7.063 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.262 -4.813 7.070 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.864 -3.584 6.529 1.00 0.00 H new ATOM 0 HG SER A 13 -1.683 -3.419 8.503 1.00 0.00 H new ATOM 189 N GLU A 14 -2.914 -4.315 4.851 1.00 0.00 N ATOM 190 CA GLU A 14 -3.298 -3.903 3.504 1.00 0.00 C ATOM 191 C GLU A 14 -3.174 -2.390 3.332 1.00 0.00 C ATOM 192 O GLU A 14 -3.718 -1.620 4.127 1.00 0.00 O ATOM 193 CB GLU A 14 -4.726 -4.361 3.204 1.00 0.00 C ATOM 194 CG GLU A 14 -4.861 -5.874 3.093 1.00 0.00 C ATOM 195 CD GLU A 14 -5.830 -6.460 4.104 1.00 0.00 C ATOM 196 OE1 GLU A 14 -6.908 -5.864 4.316 1.00 0.00 O ATOM 197 OE2 GLU A 14 -5.511 -7.521 4.681 1.00 0.00 O ATOM 0 H GLU A 14 -3.414 -3.832 5.598 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.617 -4.375 2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.389 -4.000 3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.059 -3.904 2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.195 -6.130 2.088 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.881 -6.331 3.230 1.00 0.00 H new ATOM 204 N VAL A 15 -2.452 -1.969 2.290 1.00 0.00 N ATOM 205 CA VAL A 15 -2.254 -0.546 2.013 1.00 0.00 C ATOM 206 C VAL A 15 -2.567 -0.214 0.551 1.00 0.00 C ATOM 207 O VAL A 15 -2.389 -1.049 -0.338 1.00 0.00 O ATOM 208 CB VAL A 15 -0.809 -0.105 2.346 1.00 0.00 C ATOM 209 CG1 VAL A 15 0.200 -0.849 1.481 1.00 0.00 C ATOM 210 CG2 VAL A 15 -0.652 1.403 2.185 1.00 0.00 C ATOM 0 H VAL A 15 -1.996 -2.594 1.625 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.946 0.002 2.653 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.611 -0.358 3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.208 -0.521 1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.111 -1.921 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.003 -0.638 0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.372 1.690 2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.877 1.684 1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.339 1.914 2.859 1.00 0.00 H new ATOM 220 N ALA A 16 -3.038 1.011 0.317 1.00 0.00 N ATOM 221 CA ALA A 16 -3.379 1.456 -1.032 1.00 0.00 C ATOM 222 C ALA A 16 -2.154 1.994 -1.766 1.00 0.00 C ATOM 223 O ALA A 16 -1.453 2.871 -1.256 1.00 0.00 O ATOM 224 CB ALA A 16 -4.471 2.517 -0.978 1.00 0.00 C ATOM 0 H ALA A 16 -3.191 1.711 1.043 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.749 0.593 -1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.715 2.840 -1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.360 2.100 -0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.120 3.372 -0.400 1.00 0.00 H new ATOM 230 N VAL A 17 -1.905 1.464 -2.961 1.00 0.00 N ATOM 231 CA VAL A 17 -0.760 1.890 -3.770 1.00 0.00 C ATOM 232 C VAL A 17 -1.201 2.528 -5.088 1.00 0.00 C ATOM 233 O VAL A 17 -2.232 2.161 -5.652 1.00 0.00 O ATOM 234 CB VAL A 17 0.190 0.719 -4.089 1.00 0.00 C ATOM 235 CG1 VAL A 17 1.031 0.364 -2.870 1.00 0.00 C ATOM 236 CG2 VAL A 17 -0.586 -0.494 -4.584 1.00 0.00 C ATOM 0 H VAL A 17 -2.479 0.739 -3.393 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.231 2.629 -3.167 1.00 0.00 H new ATOM 0 HB VAL A 17 0.861 1.035 -4.887 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.695 -0.465 -3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.624 1.229 -2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.376 0.073 -2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.108 -1.306 -4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.289 -0.814 -3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.133 -0.231 -5.490 1.00 0.00 H new ATOM 246 N ASP A 18 -0.400 3.479 -5.571 1.00 0.00 N ATOM 247 CA ASP A 18 -0.684 4.177 -6.828 1.00 0.00 C ATOM 248 C ASP A 18 -0.650 3.224 -8.027 1.00 0.00 C ATOM 249 O ASP A 18 -1.263 3.503 -9.059 1.00 0.00 O ATOM 250 CB ASP A 18 0.320 5.314 -7.040 1.00 0.00 C ATOM 251 CG ASP A 18 -0.079 6.588 -6.319 1.00 0.00 C ATOM 252 OD1 ASP A 18 -0.085 6.589 -5.069 1.00 0.00 O ATOM 253 OD2 ASP A 18 -0.383 7.587 -7.004 1.00 0.00 O ATOM 0 H ASP A 18 0.456 3.786 -5.108 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.691 4.588 -6.755 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.302 4.996 -6.691 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.412 5.518 -8.107 1.00 0.00 H new ATOM 258 N ASP A 19 0.064 2.100 -7.888 1.00 0.00 N ATOM 259 CA ASP A 19 0.164 1.111 -8.969 1.00 0.00 C ATOM 260 C ASP A 19 -1.223 0.678 -9.438 1.00 0.00 C ATOM 261 O ASP A 19 -1.448 0.469 -10.629 1.00 0.00 O ATOM 262 CB ASP A 19 0.955 -0.121 -8.513 1.00 0.00 C ATOM 263 CG ASP A 19 2.326 0.226 -7.962 1.00 0.00 C ATOM 264 OD1 ASP A 19 3.089 0.927 -8.658 1.00 0.00 O ATOM 265 OD2 ASP A 19 2.635 -0.208 -6.833 1.00 0.00 O ATOM 0 H ASP A 19 0.578 1.853 -7.043 1.00 0.00 H new ATOM 0 HA ASP A 19 0.690 1.583 -9.799 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.385 -0.649 -7.749 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.070 -0.804 -9.354 1.00 0.00 H new ATOM 270 N ASP A 20 -2.150 0.547 -8.486 1.00 0.00 N ATOM 271 CA ASP A 20 -3.521 0.143 -8.789 1.00 0.00 C ATOM 272 C ASP A 20 -4.176 1.105 -9.780 1.00 0.00 C ATOM 273 O ASP A 20 -4.841 0.675 -10.726 1.00 0.00 O ATOM 274 CB ASP A 20 -4.345 0.071 -7.500 1.00 0.00 C ATOM 275 CG ASP A 20 -5.577 -0.801 -7.645 1.00 0.00 C ATOM 276 OD1 ASP A 20 -6.604 -0.300 -8.151 1.00 0.00 O ATOM 277 OD2 ASP A 20 -5.518 -1.983 -7.247 1.00 0.00 O ATOM 0 H ASP A 20 -1.973 0.716 -7.496 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.489 -0.844 -9.250 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.721 -0.318 -6.695 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.648 1.077 -7.210 1.00 0.00 H new ATOM 282 N GLY A 21 -3.982 2.407 -9.562 1.00 0.00 N ATOM 283 CA GLY A 21 -4.557 3.406 -10.453 1.00 0.00 C ATOM 284 C GLY A 21 -5.997 3.757 -10.111 1.00 0.00 C ATOM 285 O GLY A 21 -6.760 4.174 -10.987 1.00 0.00 O ATOM 0 H GLY A 21 -3.439 2.787 -8.787 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.950 4.311 -10.414 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.513 3.037 -11.478 1.00 0.00 H new ATOM 289 N THR A 22 -6.375 3.590 -8.844 1.00 0.00 N ATOM 290 CA THR A 22 -7.735 3.897 -8.403 1.00 0.00 C ATOM 291 C THR A 22 -7.815 5.305 -7.808 1.00 0.00 C ATOM 292 O THR A 22 -6.794 5.906 -7.474 1.00 0.00 O ATOM 293 CB THR A 22 -8.223 2.866 -7.376 1.00 0.00 C ATOM 294 OG1 THR A 22 -7.135 2.163 -6.792 1.00 0.00 O ATOM 295 CG2 THR A 22 -9.169 1.843 -7.967 1.00 0.00 C ATOM 0 H THR A 22 -5.760 3.245 -8.107 1.00 0.00 H new ATOM 0 HA THR A 22 -8.383 3.853 -9.278 1.00 0.00 H new ATOM 0 HB THR A 22 -8.756 3.446 -6.622 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.975 1.335 -7.291 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.478 1.142 -7.191 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.046 2.349 -8.370 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.665 1.300 -8.766 1.00 0.00 H new ATOM 303 N TYR A 23 -9.039 5.824 -7.677 1.00 0.00 N ATOM 304 CA TYR A 23 -9.257 7.164 -7.122 1.00 0.00 C ATOM 305 C TYR A 23 -8.722 7.269 -5.692 1.00 0.00 C ATOM 306 O TYR A 23 -8.165 8.297 -5.307 1.00 0.00 O ATOM 307 CB TYR A 23 -10.751 7.518 -7.142 1.00 0.00 C ATOM 308 CG TYR A 23 -11.037 8.989 -6.909 1.00 0.00 C ATOM 309 CD1 TYR A 23 -10.526 9.963 -7.760 1.00 0.00 C ATOM 310 CD2 TYR A 23 -11.822 9.401 -5.840 1.00 0.00 C ATOM 311 CE1 TYR A 23 -10.792 11.303 -7.552 1.00 0.00 C ATOM 312 CE2 TYR A 23 -12.091 10.740 -5.625 1.00 0.00 C ATOM 313 CZ TYR A 23 -11.573 11.686 -6.484 1.00 0.00 C ATOM 314 OH TYR A 23 -11.841 13.021 -6.275 1.00 0.00 O ATOM 0 H TYR A 23 -9.894 5.338 -7.947 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.711 7.871 -7.747 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -11.171 7.224 -8.104 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -11.263 6.933 -6.378 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.911 9.667 -8.597 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -12.229 8.663 -5.165 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -10.389 12.047 -8.224 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.704 11.043 -4.789 1.00 0.00 H new ATOM 0 HH TYR A 23 -12.406 13.121 -5.481 1.00 0.00 H new ATOM 324 N ALA A 24 -8.896 6.201 -4.912 1.00 0.00 N ATOM 325 CA ALA A 24 -8.429 6.174 -3.527 1.00 0.00 C ATOM 326 C ALA A 24 -6.927 6.447 -3.443 1.00 0.00 C ATOM 327 O ALA A 24 -6.462 7.118 -2.518 1.00 0.00 O ATOM 328 CB ALA A 24 -8.759 4.835 -2.883 1.00 0.00 C ATOM 0 H ALA A 24 -9.357 5.344 -5.217 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.946 6.965 -2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.405 4.830 -1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.838 4.681 -2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.271 4.034 -3.438 1.00 0.00 H new ATOM 334 N ASP A 25 -6.173 5.925 -4.414 1.00 0.00 N ATOM 335 CA ASP A 25 -4.721 6.117 -4.449 1.00 0.00 C ATOM 336 C ASP A 25 -4.369 7.599 -4.585 1.00 0.00 C ATOM 337 O ASP A 25 -3.454 8.087 -3.920 1.00 0.00 O ATOM 338 CB ASP A 25 -4.091 5.327 -5.604 1.00 0.00 C ATOM 339 CG ASP A 25 -4.589 3.893 -5.704 1.00 0.00 C ATOM 340 OD1 ASP A 25 -4.986 3.317 -4.667 1.00 0.00 O ATOM 341 OD2 ASP A 25 -4.579 3.345 -6.824 1.00 0.00 O ATOM 0 H ASP A 25 -6.543 5.368 -5.184 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.317 5.745 -3.507 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.300 5.842 -6.542 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.008 5.319 -5.480 1.00 0.00 H new ATOM 346 N LEU A 26 -5.109 8.311 -5.441 1.00 0.00 N ATOM 347 CA LEU A 26 -4.883 9.740 -5.656 1.00 0.00 C ATOM 348 C LEU A 26 -4.968 10.500 -4.332 1.00 0.00 C ATOM 349 O LEU A 26 -4.141 11.367 -4.053 1.00 0.00 O ATOM 350 CB LEU A 26 -5.910 10.302 -6.651 1.00 0.00 C ATOM 351 CG LEU A 26 -5.326 11.143 -7.791 1.00 0.00 C ATOM 352 CD1 LEU A 26 -4.574 12.348 -7.239 1.00 0.00 C ATOM 353 CD2 LEU A 26 -4.417 10.297 -8.671 1.00 0.00 C ATOM 0 H LEU A 26 -5.870 7.919 -5.996 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.884 9.870 -6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.465 9.470 -7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.627 10.912 -6.102 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.150 11.508 -8.404 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.167 12.932 -8.064 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.257 12.968 -6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.760 12.007 -6.600 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.013 10.913 -9.474 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.598 9.899 -8.072 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.988 9.473 -9.098 1.00 0.00 H new ATOM 365 N VAL A 27 -5.965 10.155 -3.518 1.00 0.00 N ATOM 366 CA VAL A 27 -6.149 10.791 -2.216 1.00 0.00 C ATOM 367 C VAL A 27 -4.979 10.468 -1.288 1.00 0.00 C ATOM 368 O VAL A 27 -4.450 11.347 -0.606 1.00 0.00 O ATOM 369 CB VAL A 27 -7.465 10.345 -1.541 1.00 0.00 C ATOM 370 CG1 VAL A 27 -7.709 11.136 -0.265 1.00 0.00 C ATOM 371 CG2 VAL A 27 -8.646 10.488 -2.496 1.00 0.00 C ATOM 0 H VAL A 27 -6.657 9.439 -3.738 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.195 11.866 -2.392 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.368 9.291 -1.279 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.641 10.807 0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.884 10.972 0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.777 12.198 -0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.560 10.167 -1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.745 11.530 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.478 9.869 -3.377 1.00 0.00 H new ATOM 381 N ARG A 28 -4.573 9.198 -1.278 1.00 0.00 N ATOM 382 CA ARG A 28 -3.458 8.751 -0.445 1.00 0.00 C ATOM 383 C ARG A 28 -2.147 9.408 -0.882 1.00 0.00 C ATOM 384 O ARG A 28 -1.299 9.728 -0.049 1.00 0.00 O ATOM 385 CB ARG A 28 -3.331 7.226 -0.504 1.00 0.00 C ATOM 386 CG ARG A 28 -4.004 6.510 0.658 1.00 0.00 C ATOM 387 CD ARG A 28 -5.522 6.584 0.558 1.00 0.00 C ATOM 388 NE ARG A 28 -6.143 5.258 0.592 1.00 0.00 N ATOM 389 CZ ARG A 28 -7.435 5.044 0.856 1.00 0.00 C ATOM 390 NH1 ARG A 28 -8.253 6.063 1.105 1.00 0.00 N ATOM 391 NH2 ARG A 28 -7.911 3.805 0.870 1.00 0.00 N ATOM 0 H ARG A 28 -5.001 8.461 -1.838 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.662 9.051 0.583 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.765 6.870 -1.439 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.274 6.959 -0.521 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.690 5.466 0.674 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.678 6.955 1.598 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.910 7.186 1.380 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.799 7.090 -0.367 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.553 4.448 0.402 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.895 7.018 1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.238 5.889 1.305 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.291 3.018 0.679 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.897 3.640 1.071 1.00 0.00 H new ATOM 405 N ALA A 29 -1.991 9.611 -2.195 1.00 0.00 N ATOM 406 CA ALA A 29 -0.788 10.237 -2.751 1.00 0.00 C ATOM 407 C ALA A 29 -0.524 11.612 -2.126 1.00 0.00 C ATOM 408 O ALA A 29 0.616 12.077 -2.097 1.00 0.00 O ATOM 409 CB ALA A 29 -0.904 10.358 -4.262 1.00 0.00 C ATOM 0 H ALA A 29 -2.686 9.349 -2.894 1.00 0.00 H new ATOM 0 HA ALA A 29 0.059 9.595 -2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.003 10.825 -4.660 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.022 9.366 -4.698 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.770 10.970 -4.513 1.00 0.00 H new ATOM 415 N VAL A 30 -1.581 12.256 -1.626 1.00 0.00 N ATOM 416 CA VAL A 30 -1.460 13.570 -0.997 1.00 0.00 C ATOM 417 C VAL A 30 -1.164 13.445 0.507 1.00 0.00 C ATOM 418 O VAL A 30 -1.453 14.357 1.283 1.00 0.00 O ATOM 419 CB VAL A 30 -2.743 14.406 -1.213 1.00 0.00 C ATOM 420 CG1 VAL A 30 -2.522 15.858 -0.810 1.00 0.00 C ATOM 421 CG2 VAL A 30 -3.202 14.319 -2.663 1.00 0.00 C ATOM 0 H VAL A 30 -2.532 11.887 -1.645 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.623 14.081 -1.472 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.526 13.993 -0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.439 16.424 -0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.247 15.905 0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.721 16.285 -1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.106 14.914 -2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.418 14.701 -3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.411 13.280 -2.917 1.00 0.00 H new ATOM 431 N ASP A 31 -0.591 12.303 0.913 1.00 0.00 N ATOM 432 CA ASP A 31 -0.259 12.045 2.315 1.00 0.00 C ATOM 433 C ASP A 31 -1.520 11.979 3.177 1.00 0.00 C ATOM 434 O ASP A 31 -1.601 12.601 4.239 1.00 0.00 O ATOM 435 CB ASP A 31 0.703 13.112 2.855 1.00 0.00 C ATOM 436 CG ASP A 31 2.159 12.723 2.683 1.00 0.00 C ATOM 437 OD1 ASP A 31 2.521 11.588 3.061 1.00 0.00 O ATOM 438 OD2 ASP A 31 2.937 13.554 2.171 1.00 0.00 O ATOM 0 H ASP A 31 -0.348 11.540 0.282 1.00 0.00 H new ATOM 0 HA ASP A 31 0.238 11.076 2.364 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.519 14.055 2.341 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.498 13.280 3.912 1.00 0.00 H new ATOM 443 N LEU A 32 -2.502 11.211 2.712 1.00 0.00 N ATOM 444 CA LEU A 32 -3.760 11.050 3.433 1.00 0.00 C ATOM 445 C LEU A 32 -4.124 9.568 3.563 1.00 0.00 C ATOM 446 O LEU A 32 -5.274 9.177 3.345 1.00 0.00 O ATOM 447 CB LEU A 32 -4.879 11.817 2.721 1.00 0.00 C ATOM 448 CG LEU A 32 -4.775 13.343 2.807 1.00 0.00 C ATOM 449 CD1 LEU A 32 -4.917 13.971 1.428 1.00 0.00 C ATOM 450 CD2 LEU A 32 -5.828 13.896 3.761 1.00 0.00 C ATOM 0 H LEU A 32 -2.450 10.690 1.837 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.639 11.459 4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.886 11.527 1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.836 11.509 3.143 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.789 13.598 3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.840 15.055 1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.126 13.601 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.887 13.708 1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.740 14.981 3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.821 13.628 3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.676 13.474 4.755 1.00 0.00 H new ATOM 462 N SER A 33 -3.133 8.747 3.921 1.00 0.00 N ATOM 463 CA SER A 33 -3.343 7.310 4.083 1.00 0.00 C ATOM 464 C SER A 33 -3.526 6.950 5.555 1.00 0.00 C ATOM 465 O SER A 33 -2.793 7.442 6.415 1.00 0.00 O ATOM 466 CB SER A 33 -2.161 6.528 3.502 1.00 0.00 C ATOM 467 OG SER A 33 -2.464 5.144 3.397 1.00 0.00 O ATOM 0 H SER A 33 -2.178 9.055 4.104 1.00 0.00 H new ATOM 0 HA SER A 33 -4.250 7.040 3.542 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.908 6.923 2.518 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.284 6.664 4.135 1.00 0.00 H new ATOM 0 HG SER A 33 -1.694 4.668 3.022 1.00 0.00 H new ATOM 473 N PRO A 34 -4.506 6.078 5.868 1.00 0.00 N ATOM 474 CA PRO A 34 -4.772 5.654 7.247 1.00 0.00 C ATOM 475 C PRO A 34 -3.716 4.678 7.775 1.00 0.00 C ATOM 476 O PRO A 34 -3.393 4.686 8.964 1.00 0.00 O ATOM 477 CB PRO A 34 -6.138 4.970 7.145 1.00 0.00 C ATOM 478 CG PRO A 34 -6.207 4.464 5.744 1.00 0.00 C ATOM 479 CD PRO A 34 -5.427 5.437 4.905 1.00 0.00 C ATOM 0 HA PRO A 34 -4.749 6.491 7.944 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.227 4.156 7.864 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -6.947 5.670 7.353 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.784 3.462 5.671 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.241 4.399 5.404 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.883 4.931 4.108 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.081 6.168 4.430 1.00 0.00 H new ATOM 487 N HIS A 35 -3.177 3.844 6.881 1.00 0.00 N ATOM 488 CA HIS A 35 -2.152 2.869 7.255 1.00 0.00 C ATOM 489 C HIS A 35 -0.774 3.524 7.349 1.00 0.00 C ATOM 490 O HIS A 35 -0.009 3.244 8.275 1.00 0.00 O ATOM 491 CB HIS A 35 -2.117 1.713 6.248 1.00 0.00 C ATOM 492 CG HIS A 35 -2.457 0.379 6.847 1.00 0.00 C ATOM 493 ND1 HIS A 35 -3.318 0.227 7.915 1.00 0.00 N ATOM 494 CD2 HIS A 35 -2.044 -0.870 6.520 1.00 0.00 C ATOM 495 CE1 HIS A 35 -3.420 -1.056 8.215 1.00 0.00 C ATOM 496 NE2 HIS A 35 -2.659 -1.740 7.385 1.00 0.00 N ATOM 0 H HIS A 35 -3.434 3.826 5.894 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.411 2.475 8.238 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.816 1.927 5.439 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.123 1.659 5.805 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -3.800 0.986 8.397 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.359 -1.132 5.727 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.025 -1.473 9.007 1.00 0.00 H new ATOM 505 N GLU A 36 -0.463 4.396 6.385 1.00 0.00 N ATOM 506 CA GLU A 36 0.822 5.095 6.351 1.00 0.00 C ATOM 507 C GLU A 36 1.993 4.107 6.396 1.00 0.00 C ATOM 508 O GLU A 36 2.826 4.152 7.304 1.00 0.00 O ATOM 509 CB GLU A 36 0.916 6.090 7.515 1.00 0.00 C ATOM 510 CG GLU A 36 1.892 7.231 7.258 1.00 0.00 C ATOM 511 CD GLU A 36 2.683 7.625 8.493 1.00 0.00 C ATOM 512 OE1 GLU A 36 3.127 6.720 9.233 1.00 0.00 O ATOM 513 OE2 GLU A 36 2.862 8.839 8.716 1.00 0.00 O ATOM 0 H GLU A 36 -1.088 4.634 5.615 1.00 0.00 H new ATOM 0 HA GLU A 36 0.883 5.644 5.411 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.073 6.505 7.710 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.221 5.557 8.415 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.584 6.939 6.468 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.341 8.098 6.894 1.00 0.00 H new ATOM 520 N VAL A 37 2.048 3.214 5.407 1.00 0.00 N ATOM 521 CA VAL A 37 3.114 2.213 5.331 1.00 0.00 C ATOM 522 C VAL A 37 3.847 2.284 3.991 1.00 0.00 C ATOM 523 O VAL A 37 3.246 2.589 2.958 1.00 0.00 O ATOM 524 CB VAL A 37 2.565 0.785 5.532 1.00 0.00 C ATOM 525 CG1 VAL A 37 2.173 0.560 6.985 1.00 0.00 C ATOM 526 CG2 VAL A 37 1.385 0.527 4.611 1.00 0.00 C ATOM 0 H VAL A 37 1.368 3.163 4.648 1.00 0.00 H new ATOM 0 HA VAL A 37 3.814 2.439 6.135 1.00 0.00 H new ATOM 0 HB VAL A 37 3.355 0.078 5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.788 -0.453 7.105 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.047 0.695 7.623 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.403 1.277 7.269 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.014 -0.486 4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.591 1.242 4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.702 0.639 3.574 1.00 0.00 H new ATOM 536 N THR A 38 5.149 1.999 4.020 1.00 0.00 N ATOM 537 CA THR A 38 5.972 2.027 2.810 1.00 0.00 C ATOM 538 C THR A 38 5.994 0.658 2.130 1.00 0.00 C ATOM 539 O THR A 38 6.092 -0.374 2.797 1.00 0.00 O ATOM 540 CB THR A 38 7.401 2.479 3.144 1.00 0.00 C ATOM 541 OG1 THR A 38 8.189 2.566 1.969 1.00 0.00 O ATOM 542 CG2 THR A 38 8.119 1.558 4.110 1.00 0.00 C ATOM 0 H THR A 38 5.657 1.746 4.868 1.00 0.00 H new ATOM 0 HA THR A 38 5.530 2.743 2.118 1.00 0.00 H new ATOM 0 HB THR A 38 7.286 3.454 3.618 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.095 2.857 2.203 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.122 1.940 4.299 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.565 1.511 5.048 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.187 0.559 3.678 1.00 0.00 H new ATOM 550 N VAL A 39 5.901 0.659 0.801 1.00 0.00 N ATOM 551 CA VAL A 39 5.907 -0.584 0.032 1.00 0.00 C ATOM 552 C VAL A 39 7.301 -0.907 -0.499 1.00 0.00 C ATOM 553 O VAL A 39 7.973 -0.049 -1.077 1.00 0.00 O ATOM 554 CB VAL A 39 4.914 -0.530 -1.150 1.00 0.00 C ATOM 555 CG1 VAL A 39 3.491 -0.333 -0.646 1.00 0.00 C ATOM 556 CG2 VAL A 39 5.294 0.567 -2.139 1.00 0.00 C ATOM 0 H VAL A 39 5.821 1.504 0.236 1.00 0.00 H new ATOM 0 HA VAL A 39 5.596 -1.372 0.718 1.00 0.00 H new ATOM 0 HB VAL A 39 4.964 -1.484 -1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.806 -0.298 -1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.218 -1.162 0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.428 0.602 -0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.577 0.581 -2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.285 1.532 -1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.292 0.373 -2.532 1.00 0.00 H new ATOM 566 N LEU A 40 7.727 -2.154 -0.304 1.00 0.00 N ATOM 567 CA LEU A 40 9.038 -2.597 -0.763 1.00 0.00 C ATOM 568 C LEU A 40 8.906 -3.588 -1.917 1.00 0.00 C ATOM 569 O LEU A 40 8.035 -4.460 -1.904 1.00 0.00 O ATOM 570 CB LEU A 40 9.814 -3.242 0.387 1.00 0.00 C ATOM 571 CG LEU A 40 10.690 -2.282 1.198 1.00 0.00 C ATOM 572 CD1 LEU A 40 10.802 -2.748 2.642 1.00 0.00 C ATOM 573 CD2 LEU A 40 12.071 -2.158 0.566 1.00 0.00 C ATOM 0 H LEU A 40 7.181 -2.874 0.169 1.00 0.00 H new ATOM 0 HA LEU A 40 9.584 -1.722 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.103 -3.719 1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.447 -4.031 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 40 10.219 -1.299 1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.428 -2.053 3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.809 -2.784 3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.249 -3.742 2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.680 -1.472 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.549 -3.137 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.973 -1.775 -0.450 1.00 0.00 H new ATOM 585 N VAL A 41 9.792 -3.457 -2.901 1.00 0.00 N ATOM 586 CA VAL A 41 9.799 -4.344 -4.060 1.00 0.00 C ATOM 587 C VAL A 41 10.905 -5.380 -3.899 1.00 0.00 C ATOM 588 O VAL A 41 12.023 -5.046 -3.498 1.00 0.00 O ATOM 589 CB VAL A 41 10.016 -3.560 -5.376 1.00 0.00 C ATOM 590 CG1 VAL A 41 9.674 -4.420 -6.586 1.00 0.00 C ATOM 591 CG2 VAL A 41 9.198 -2.273 -5.383 1.00 0.00 C ATOM 0 H VAL A 41 10.518 -2.741 -2.918 1.00 0.00 H new ATOM 0 HA VAL A 41 8.827 -4.835 -4.115 1.00 0.00 H new ATOM 0 HB VAL A 41 11.071 -3.294 -5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.835 -3.845 -7.498 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.312 -5.304 -6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.630 -4.727 -6.531 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.367 -1.739 -6.318 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.139 -2.514 -5.289 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.502 -1.644 -4.546 1.00 0.00 H new ATOM 601 N ASP A 42 10.592 -6.642 -4.195 1.00 0.00 N ATOM 602 CA ASP A 42 11.568 -7.712 -4.060 1.00 0.00 C ATOM 603 C ASP A 42 12.699 -7.521 -5.058 1.00 0.00 C ATOM 604 O ASP A 42 12.473 -7.498 -6.269 1.00 0.00 O ATOM 605 CB ASP A 42 10.901 -9.076 -4.273 1.00 0.00 C ATOM 606 CG ASP A 42 10.217 -9.193 -5.624 1.00 0.00 C ATOM 607 OD1 ASP A 42 9.148 -8.573 -5.807 1.00 0.00 O ATOM 608 OD2 ASP A 42 10.749 -9.908 -6.499 1.00 0.00 O ATOM 0 H ASP A 42 9.676 -6.942 -4.527 1.00 0.00 H new ATOM 0 HA ASP A 42 11.979 -7.680 -3.051 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.652 -9.861 -4.182 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.168 -9.244 -3.484 1.00 0.00 H new ATOM 613 N GLY A 43 13.911 -7.393 -4.523 1.00 0.00 N ATOM 614 CA GLY A 43 15.103 -7.199 -5.338 1.00 0.00 C ATOM 615 C GLY A 43 14.864 -6.446 -6.641 1.00 0.00 C ATOM 616 O GLY A 43 15.441 -6.795 -7.672 1.00 0.00 O ATOM 0 H GLY A 43 14.092 -7.421 -3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.844 -6.657 -4.751 1.00 0.00 H new ATOM 0 HA3 GLY A 43 15.531 -8.174 -5.570 1.00 0.00 H new ATOM 620 N ARG A 44 14.006 -5.422 -6.605 1.00 0.00 N ATOM 621 CA ARG A 44 13.699 -4.642 -7.801 1.00 0.00 C ATOM 622 C ARG A 44 13.770 -3.140 -7.528 1.00 0.00 C ATOM 623 O ARG A 44 13.232 -2.661 -6.527 1.00 0.00 O ATOM 624 CB ARG A 44 12.309 -5.006 -8.328 1.00 0.00 C ATOM 625 CG ARG A 44 12.303 -5.445 -9.781 1.00 0.00 C ATOM 626 CD ARG A 44 11.467 -6.698 -9.977 1.00 0.00 C ATOM 627 NE ARG A 44 12.262 -7.807 -10.499 1.00 0.00 N ATOM 628 CZ ARG A 44 12.602 -7.941 -11.783 1.00 0.00 C ATOM 629 NH1 ARG A 44 12.228 -7.028 -12.678 1.00 0.00 N ATOM 630 NH2 ARG A 44 13.326 -8.986 -12.171 1.00 0.00 N ATOM 0 H ARG A 44 13.516 -5.117 -5.764 1.00 0.00 H new ATOM 0 HA ARG A 44 14.449 -4.885 -8.553 1.00 0.00 H new ATOM 0 HB2 ARG A 44 11.896 -5.806 -7.714 1.00 0.00 H new ATOM 0 HB3 ARG A 44 11.650 -4.145 -8.215 1.00 0.00 H new ATOM 0 HG2 ARG A 44 11.909 -4.642 -10.404 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.325 -5.632 -10.111 1.00 0.00 H new ATOM 0 HD2 ARG A 44 11.019 -6.988 -9.026 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.648 -6.484 -10.663 1.00 0.00 H new ATOM 0 HE ARG A 44 12.576 -8.522 -9.843 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.679 -6.221 -12.384 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.491 -7.136 -13.658 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.621 -9.684 -11.488 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.587 -9.090 -13.152 1.00 0.00 H new ATOM 644 N PRO A 45 14.430 -2.370 -8.420 1.00 0.00 N ATOM 645 CA PRO A 45 14.552 -0.919 -8.266 1.00 0.00 C ATOM 646 C PRO A 45 13.254 -0.185 -8.609 1.00 0.00 C ATOM 647 O PRO A 45 12.894 0.794 -7.954 1.00 0.00 O ATOM 648 CB PRO A 45 15.660 -0.551 -9.255 1.00 0.00 C ATOM 649 CG PRO A 45 15.583 -1.593 -10.319 1.00 0.00 C ATOM 650 CD PRO A 45 15.099 -2.854 -9.648 1.00 0.00 C ATOM 0 HA PRO A 45 14.771 -0.633 -7.237 1.00 0.00 H new ATOM 0 HB2 PRO A 45 15.507 0.447 -9.667 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.637 -0.550 -8.772 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.900 -1.288 -11.112 1.00 0.00 H new ATOM 0 HG3 PRO A 45 16.558 -1.749 -10.781 1.00 0.00 H new ATOM 0 HD2 PRO A 45 14.410 -3.407 -10.287 1.00 0.00 H new ATOM 0 HD3 PRO A 45 15.926 -3.525 -9.415 1.00 0.00 H new ATOM 658 N VAL A 46 12.555 -0.664 -9.641 1.00 0.00 N ATOM 659 CA VAL A 46 11.297 -0.056 -10.073 1.00 0.00 C ATOM 660 C VAL A 46 10.297 -1.119 -10.530 1.00 0.00 C ATOM 661 O VAL A 46 10.640 -2.002 -11.319 1.00 0.00 O ATOM 662 CB VAL A 46 11.515 0.946 -11.231 1.00 0.00 C ATOM 663 CG1 VAL A 46 12.112 2.248 -10.715 1.00 0.00 C ATOM 664 CG2 VAL A 46 12.399 0.341 -12.314 1.00 0.00 C ATOM 0 H VAL A 46 12.841 -1.473 -10.193 1.00 0.00 H new ATOM 0 HA VAL A 46 10.898 0.476 -9.209 1.00 0.00 H new ATOM 0 HB VAL A 46 10.543 1.168 -11.671 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.256 2.937 -11.547 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.435 2.695 -9.987 1.00 0.00 H new ATOM 0 HG13 VAL A 46 13.072 2.045 -10.241 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.537 1.065 -13.117 1.00 0.00 H new ATOM 0 HG22 VAL A 46 13.368 0.081 -11.889 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.925 -0.556 -12.712 1.00 0.00 H new ATOM 674 N PRO A 47 9.040 -1.044 -10.047 1.00 0.00 N ATOM 675 CA PRO A 47 7.990 -2.002 -10.418 1.00 0.00 C ATOM 676 C PRO A 47 7.380 -1.723 -11.799 1.00 0.00 C ATOM 677 O PRO A 47 6.466 -2.428 -12.228 1.00 0.00 O ATOM 678 CB PRO A 47 6.944 -1.806 -9.325 1.00 0.00 C ATOM 679 CG PRO A 47 7.085 -0.379 -8.922 1.00 0.00 C ATOM 680 CD PRO A 47 8.540 -0.023 -9.104 1.00 0.00 C ATOM 0 HA PRO A 47 8.379 -3.018 -10.491 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.940 -2.016 -9.694 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.120 -2.475 -8.483 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.450 0.261 -9.534 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.778 -0.236 -7.886 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.658 0.984 -9.505 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.080 -0.054 -8.158 1.00 0.00 H new ATOM 688 N GLU A 48 7.887 -0.695 -12.490 1.00 0.00 N ATOM 689 CA GLU A 48 7.383 -0.339 -13.817 1.00 0.00 C ATOM 690 C GLU A 48 7.546 -1.498 -14.805 1.00 0.00 C ATOM 691 O GLU A 48 6.770 -1.628 -15.751 1.00 0.00 O ATOM 692 CB GLU A 48 8.100 0.910 -14.347 1.00 0.00 C ATOM 693 CG GLU A 48 9.600 0.727 -14.536 1.00 0.00 C ATOM 694 CD GLU A 48 10.232 1.854 -15.331 1.00 0.00 C ATOM 695 OE1 GLU A 48 9.995 1.927 -16.555 1.00 0.00 O ATOM 696 OE2 GLU A 48 10.970 2.663 -14.728 1.00 0.00 O ATOM 0 H GLU A 48 8.643 -0.099 -12.152 1.00 0.00 H new ATOM 0 HA GLU A 48 6.319 -0.123 -13.720 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.656 1.195 -15.301 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.929 1.736 -13.656 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.080 0.663 -13.559 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.785 -0.219 -15.045 1.00 0.00 H new ATOM 703 N ASP A 49 8.559 -2.338 -14.576 1.00 0.00 N ATOM 704 CA ASP A 49 8.821 -3.486 -15.444 1.00 0.00 C ATOM 705 C ASP A 49 8.065 -4.738 -14.970 1.00 0.00 C ATOM 706 O ASP A 49 8.422 -5.860 -15.340 1.00 0.00 O ATOM 707 CB ASP A 49 10.328 -3.767 -15.497 1.00 0.00 C ATOM 708 CG ASP A 49 11.028 -2.978 -16.587 1.00 0.00 C ATOM 709 OD1 ASP A 49 11.097 -1.735 -16.469 1.00 0.00 O ATOM 710 OD2 ASP A 49 11.512 -3.601 -17.557 1.00 0.00 O ATOM 0 H ASP A 49 9.210 -2.243 -13.797 1.00 0.00 H new ATOM 0 HA ASP A 49 8.462 -3.241 -16.443 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.774 -3.523 -14.533 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.490 -4.832 -15.663 1.00 0.00 H new ATOM 715 N GLN A 50 7.021 -4.550 -14.153 1.00 0.00 N ATOM 716 CA GLN A 50 6.231 -5.670 -13.643 1.00 0.00 C ATOM 717 C GLN A 50 4.872 -5.752 -14.335 1.00 0.00 C ATOM 718 O GLN A 50 4.354 -4.747 -14.832 1.00 0.00 O ATOM 719 CB GLN A 50 6.036 -5.541 -12.129 1.00 0.00 C ATOM 720 CG GLN A 50 7.337 -5.409 -11.352 1.00 0.00 C ATOM 721 CD GLN A 50 7.813 -6.727 -10.773 1.00 0.00 C ATOM 722 OE1 GLN A 50 7.824 -6.915 -9.557 1.00 0.00 O ATOM 723 NE2 GLN A 50 8.213 -7.650 -11.642 1.00 0.00 N ATOM 0 H GLN A 50 6.707 -3.634 -13.833 1.00 0.00 H new ATOM 0 HA GLN A 50 6.780 -6.587 -13.858 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.412 -4.671 -11.925 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.494 -6.414 -11.766 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.108 -5.007 -12.009 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.201 -4.691 -10.544 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.188 -7.453 -12.643 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.545 -8.555 -11.308 1.00 0.00 H new ATOM 732 N SER A 51 4.295 -6.956 -14.357 1.00 0.00 N ATOM 733 CA SER A 51 2.990 -7.183 -14.978 1.00 0.00 C ATOM 734 C SER A 51 1.862 -7.041 -13.950 1.00 0.00 C ATOM 735 O SER A 51 2.114 -6.991 -12.745 1.00 0.00 O ATOM 736 CB SER A 51 2.944 -8.571 -15.623 1.00 0.00 C ATOM 737 OG SER A 51 1.765 -8.738 -16.392 1.00 0.00 O ATOM 0 H SER A 51 4.714 -7.792 -13.949 1.00 0.00 H new ATOM 0 HA SER A 51 2.845 -6.428 -15.751 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.819 -8.709 -16.258 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.988 -9.337 -14.849 1.00 0.00 H new ATOM 0 HG SER A 51 1.761 -9.632 -16.794 1.00 0.00 H new ATOM 743 N VAL A 52 0.620 -6.977 -14.443 1.00 0.00 N ATOM 744 CA VAL A 52 -0.564 -6.839 -13.585 1.00 0.00 C ATOM 745 C VAL A 52 -0.669 -5.425 -13.011 1.00 0.00 C ATOM 746 O VAL A 52 0.327 -4.854 -12.559 1.00 0.00 O ATOM 747 CB VAL A 52 -0.564 -7.859 -12.417 1.00 0.00 C ATOM 748 CG1 VAL A 52 -1.901 -7.843 -11.687 1.00 0.00 C ATOM 749 CG2 VAL A 52 -0.252 -9.263 -12.920 1.00 0.00 C ATOM 0 H VAL A 52 0.407 -7.019 -15.440 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.426 -7.041 -14.221 1.00 0.00 H new ATOM 0 HB VAL A 52 0.217 -7.565 -11.716 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.879 -8.566 -10.872 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.084 -6.847 -11.284 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.698 -8.105 -12.382 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.258 -9.960 -12.082 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.005 -9.565 -13.648 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.731 -9.271 -13.391 1.00 0.00 H new ATOM 759 N GLU A 53 -1.881 -4.862 -13.033 1.00 0.00 N ATOM 760 CA GLU A 53 -2.117 -3.513 -12.512 1.00 0.00 C ATOM 761 C GLU A 53 -1.717 -3.414 -11.040 1.00 0.00 C ATOM 762 O GLU A 53 -1.202 -2.386 -10.598 1.00 0.00 O ATOM 763 CB GLU A 53 -3.589 -3.106 -12.681 1.00 0.00 C ATOM 764 CG GLU A 53 -4.587 -4.166 -12.232 1.00 0.00 C ATOM 765 CD GLU A 53 -5.347 -4.778 -13.393 1.00 0.00 C ATOM 766 OE1 GLU A 53 -4.775 -5.653 -14.081 1.00 0.00 O ATOM 767 OE2 GLU A 53 -6.510 -4.384 -13.617 1.00 0.00 O ATOM 0 H GLU A 53 -2.713 -5.319 -13.406 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.496 -2.828 -13.089 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.768 -2.192 -12.115 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.771 -2.873 -13.730 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.059 -4.952 -11.693 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.295 -3.721 -11.533 1.00 0.00 H new ATOM 774 N VAL A 54 -1.950 -4.491 -10.284 1.00 0.00 N ATOM 775 CA VAL A 54 -1.608 -4.523 -8.864 1.00 0.00 C ATOM 776 C VAL A 54 -0.385 -5.410 -8.621 1.00 0.00 C ATOM 777 O VAL A 54 -0.030 -6.236 -9.464 1.00 0.00 O ATOM 778 CB VAL A 54 -2.786 -5.039 -8.005 1.00 0.00 C ATOM 779 CG1 VAL A 54 -2.629 -4.611 -6.552 1.00 0.00 C ATOM 780 CG2 VAL A 54 -4.117 -4.553 -8.561 1.00 0.00 C ATOM 0 H VAL A 54 -2.374 -5.350 -10.634 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.382 -3.499 -8.568 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.775 -6.128 -8.044 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.470 -4.986 -5.969 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.700 -5.017 -6.151 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.604 -3.523 -6.494 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.930 -4.929 -7.940 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.135 -3.463 -8.561 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.241 -4.918 -9.580 1.00 0.00 H new ATOM 790 N ASP A 55 0.252 -5.234 -7.462 1.00 0.00 N ATOM 791 CA ASP A 55 1.436 -6.014 -7.104 1.00 0.00 C ATOM 792 C ASP A 55 1.504 -6.231 -5.591 1.00 0.00 C ATOM 793 O ASP A 55 1.016 -5.404 -4.818 1.00 0.00 O ATOM 794 CB ASP A 55 2.704 -5.306 -7.592 1.00 0.00 C ATOM 795 CG ASP A 55 3.959 -6.129 -7.366 1.00 0.00 C ATOM 796 OD1 ASP A 55 4.196 -7.077 -8.143 1.00 0.00 O ATOM 797 OD2 ASP A 55 4.702 -5.827 -6.407 1.00 0.00 O ATOM 0 H ASP A 55 -0.034 -4.557 -6.755 1.00 0.00 H new ATOM 0 HA ASP A 55 1.365 -6.987 -7.589 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.606 -5.086 -8.655 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.803 -4.351 -7.076 1.00 0.00 H new ATOM 802 N ARG A 56 2.116 -7.342 -5.175 1.00 0.00 N ATOM 803 CA ARG A 56 2.245 -7.654 -3.755 1.00 0.00 C ATOM 804 C ARG A 56 3.594 -7.181 -3.220 1.00 0.00 C ATOM 805 O ARG A 56 4.647 -7.531 -3.757 1.00 0.00 O ATOM 806 CB ARG A 56 2.085 -9.159 -3.510 1.00 0.00 C ATOM 807 CG ARG A 56 2.154 -9.542 -2.036 1.00 0.00 C ATOM 808 CD ARG A 56 1.682 -10.968 -1.795 1.00 0.00 C ATOM 809 NE ARG A 56 0.236 -11.042 -1.579 1.00 0.00 N ATOM 810 CZ ARG A 56 -0.388 -12.092 -1.034 1.00 0.00 C ATOM 811 NH1 ARG A 56 0.303 -13.164 -0.649 1.00 0.00 N ATOM 812 NH2 ARG A 56 -1.707 -12.072 -0.874 1.00 0.00 N ATOM 0 H ARG A 56 2.527 -8.036 -5.800 1.00 0.00 H new ATOM 0 HA ARG A 56 1.452 -7.128 -3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.129 -9.487 -3.919 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.864 -9.693 -4.054 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.179 -9.435 -1.681 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.541 -8.854 -1.454 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.952 -11.588 -2.650 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.199 -11.378 -0.928 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.331 -10.243 -1.862 1.00 0.00 H new ATOM 0 HH11 ARG A 56 1.316 -13.188 -0.769 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.181 -13.961 -0.234 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.244 -11.256 -1.167 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.183 -12.873 -0.458 1.00 0.00 H new ATOM 826 N VAL A 57 3.548 -6.378 -2.161 1.00 0.00 N ATOM 827 CA VAL A 57 4.758 -5.838 -1.542 1.00 0.00 C ATOM 828 C VAL A 57 4.726 -6.012 -0.022 1.00 0.00 C ATOM 829 O VAL A 57 3.686 -6.328 0.553 1.00 0.00 O ATOM 830 CB VAL A 57 4.935 -4.339 -1.875 1.00 0.00 C ATOM 831 CG1 VAL A 57 5.296 -4.150 -3.342 1.00 0.00 C ATOM 832 CG2 VAL A 57 3.675 -3.557 -1.529 1.00 0.00 C ATOM 0 H VAL A 57 2.681 -6.085 -1.710 1.00 0.00 H new ATOM 0 HA VAL A 57 5.601 -6.397 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 57 5.755 -3.953 -1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.416 -3.087 -3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.230 -4.670 -3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.502 -4.557 -3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.822 -2.505 -1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.835 -3.948 -2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.465 -3.658 -0.464 1.00 0.00 H new ATOM 842 N LYS A 58 5.873 -5.800 0.626 1.00 0.00 N ATOM 843 CA LYS A 58 5.968 -5.927 2.081 1.00 0.00 C ATOM 844 C LYS A 58 6.124 -4.555 2.733 1.00 0.00 C ATOM 845 O LYS A 58 6.886 -3.714 2.251 1.00 0.00 O ATOM 846 CB LYS A 58 7.136 -6.841 2.480 1.00 0.00 C ATOM 847 CG LYS A 58 8.377 -6.680 1.614 1.00 0.00 C ATOM 848 CD LYS A 58 9.437 -7.719 1.950 1.00 0.00 C ATOM 849 CE LYS A 58 9.064 -9.091 1.410 1.00 0.00 C ATOM 850 NZ LYS A 58 10.111 -10.111 1.698 1.00 0.00 N ATOM 0 H LYS A 58 6.746 -5.540 0.168 1.00 0.00 H new ATOM 0 HA LYS A 58 5.043 -6.380 2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.402 -6.640 3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.804 -7.878 2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.101 -6.768 0.563 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.790 -5.681 1.752 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.395 -7.411 1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.564 -7.775 3.031 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.119 -9.408 1.850 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.908 -9.026 0.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.815 -11.030 1.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.007 -9.823 1.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.242 -10.193 2.726 1.00 0.00 H new ATOM 864 N VAL A 59 5.396 -4.334 3.829 1.00 0.00 N ATOM 865 CA VAL A 59 5.455 -3.061 4.545 1.00 0.00 C ATOM 866 C VAL A 59 6.313 -3.171 5.802 1.00 0.00 C ATOM 867 O VAL A 59 6.275 -4.181 6.508 1.00 0.00 O ATOM 868 CB VAL A 59 4.048 -2.546 4.927 1.00 0.00 C ATOM 869 CG1 VAL A 59 3.293 -2.089 3.689 1.00 0.00 C ATOM 870 CG2 VAL A 59 3.258 -3.609 5.681 1.00 0.00 C ATOM 0 H VAL A 59 4.761 -5.019 4.238 1.00 0.00 H new ATOM 0 HA VAL A 59 5.911 -2.344 3.862 1.00 0.00 H new ATOM 0 HB VAL A 59 4.171 -1.690 5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.305 -1.730 3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.844 -1.284 3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.188 -2.925 2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.273 -3.218 5.936 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.146 -4.493 5.053 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.789 -3.878 6.594 1.00 0.00 H new ATOM 880 N LEU A 60 7.087 -2.122 6.069 1.00 0.00 N ATOM 881 CA LEU A 60 7.966 -2.087 7.236 1.00 0.00 C ATOM 882 C LEU A 60 7.580 -0.947 8.176 1.00 0.00 C ATOM 883 O LEU A 60 7.387 0.189 7.738 1.00 0.00 O ATOM 884 CB LEU A 60 9.422 -1.922 6.789 1.00 0.00 C ATOM 885 CG LEU A 60 10.331 -3.118 7.078 1.00 0.00 C ATOM 886 CD1 LEU A 60 11.424 -3.221 6.024 1.00 0.00 C ATOM 887 CD2 LEU A 60 10.938 -3.004 8.468 1.00 0.00 C ATOM 0 H LEU A 60 7.124 -1.282 5.491 1.00 0.00 H new ATOM 0 HA LEU A 60 7.857 -3.028 7.774 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.436 -1.726 5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.839 -1.042 7.280 1.00 0.00 H new ATOM 0 HG LEU A 60 9.729 -4.026 7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.062 -4.077 6.244 1.00 0.00 H new ATOM 0 HD12 LEU A 60 10.971 -3.349 5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.023 -2.310 6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.581 -3.864 8.656 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.526 -2.089 8.534 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.142 -2.978 9.212 1.00 0.00 H new ATOM 899 N ARG A 61 7.473 -1.252 9.469 1.00 0.00 N ATOM 900 CA ARG A 61 7.113 -0.245 10.467 1.00 0.00 C ATOM 901 C ARG A 61 8.219 0.805 10.611 1.00 0.00 C ATOM 902 O ARG A 61 7.939 2.003 10.704 1.00 0.00 O ATOM 903 CB ARG A 61 6.824 -0.900 11.826 1.00 0.00 C ATOM 904 CG ARG A 61 7.991 -1.689 12.401 1.00 0.00 C ATOM 905 CD ARG A 61 7.763 -2.032 13.864 1.00 0.00 C ATOM 906 NE ARG A 61 8.501 -3.227 14.275 1.00 0.00 N ATOM 907 CZ ARG A 61 8.687 -3.594 15.545 1.00 0.00 C ATOM 908 NH1 ARG A 61 8.187 -2.863 16.539 1.00 0.00 N ATOM 909 NH2 ARG A 61 9.372 -4.698 15.823 1.00 0.00 N ATOM 0 H ARG A 61 7.630 -2.185 9.849 1.00 0.00 H new ATOM 0 HA ARG A 61 6.207 0.254 10.123 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.540 -0.124 12.537 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.967 -1.566 11.721 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.129 -2.606 11.828 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.909 -1.109 12.301 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.067 -1.189 14.484 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.698 -2.188 14.037 1.00 0.00 H new ATOM 0 HE ARG A 61 8.899 -3.817 13.544 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.658 -2.016 16.333 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.333 -3.150 17.507 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.755 -5.264 15.066 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.515 -4.979 16.793 1.00 0.00 H new ATOM 923 N LEU A 62 9.474 0.348 10.627 1.00 0.00 N ATOM 924 CA LEU A 62 10.623 1.243 10.755 1.00 0.00 C ATOM 925 C LEU A 62 11.862 0.632 10.099 1.00 0.00 C ATOM 926 O LEU A 62 12.225 -0.511 10.388 1.00 0.00 O ATOM 927 CB LEU A 62 10.911 1.538 12.232 1.00 0.00 C ATOM 928 CG LEU A 62 10.078 2.667 12.851 1.00 0.00 C ATOM 929 CD1 LEU A 62 8.884 2.102 13.607 1.00 0.00 C ATOM 930 CD2 LEU A 62 10.938 3.522 13.772 1.00 0.00 C ATOM 0 H LEU A 62 9.719 -0.639 10.553 1.00 0.00 H new ATOM 0 HA LEU A 62 10.381 2.176 10.246 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.742 0.627 12.807 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.967 1.789 12.336 1.00 0.00 H new ATOM 0 HG LEU A 62 9.704 3.298 12.045 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.306 2.920 14.038 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.254 1.535 12.921 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.235 1.446 14.404 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.330 4.318 14.202 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.342 2.902 14.572 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.758 3.959 13.202 1.00 0.00 H new ATOM 942 N ILE A 63 12.509 1.398 9.218 1.00 0.00 N ATOM 943 CA ILE A 63 13.709 0.930 8.525 1.00 0.00 C ATOM 944 C ILE A 63 14.586 2.102 8.072 1.00 0.00 C ATOM 945 O ILE A 63 14.078 3.166 7.712 1.00 0.00 O ATOM 946 CB ILE A 63 13.352 0.047 7.303 1.00 0.00 C ATOM 947 CG1 ILE A 63 14.619 -0.544 6.673 1.00 0.00 C ATOM 948 CG2 ILE A 63 12.558 0.841 6.273 1.00 0.00 C ATOM 949 CD1 ILE A 63 15.328 -1.545 7.560 1.00 0.00 C ATOM 0 H ILE A 63 12.222 2.344 8.968 1.00 0.00 H new ATOM 0 HA ILE A 63 14.269 0.327 9.240 1.00 0.00 H new ATOM 0 HB ILE A 63 12.727 -0.776 7.651 1.00 0.00 H new ATOM 0 HG12 ILE A 63 14.355 -1.028 5.733 1.00 0.00 H new ATOM 0 HG13 ILE A 63 15.307 0.267 6.432 1.00 0.00 H new ATOM 0 HG21 ILE A 63 12.319 0.200 5.425 1.00 0.00 H new ATOM 0 HG22 ILE A 63 11.635 1.203 6.725 1.00 0.00 H new ATOM 0 HG23 ILE A 63 13.151 1.689 5.931 1.00 0.00 H new ATOM 0 HD11 ILE A 63 16.214 -1.920 7.049 1.00 0.00 H new ATOM 0 HD12 ILE A 63 15.624 -1.061 8.491 1.00 0.00 H new ATOM 0 HD13 ILE A 63 14.657 -2.375 7.780 1.00 0.00 H new ATOM 961 N LYS A 64 15.903 1.896 8.097 1.00 0.00 N ATOM 962 CA LYS A 64 16.856 2.931 7.693 1.00 0.00 C ATOM 963 C LYS A 64 17.153 2.858 6.195 1.00 0.00 C ATOM 964 O LYS A 64 16.968 1.815 5.566 1.00 0.00 O ATOM 965 CB LYS A 64 18.162 2.807 8.492 1.00 0.00 C ATOM 966 CG LYS A 64 18.765 1.408 8.484 1.00 0.00 C ATOM 967 CD LYS A 64 18.447 0.652 9.767 1.00 0.00 C ATOM 968 CE LYS A 64 18.468 -0.854 9.547 1.00 0.00 C ATOM 969 NZ LYS A 64 18.446 -1.605 10.834 1.00 0.00 N ATOM 0 H LYS A 64 16.335 1.021 8.393 1.00 0.00 H new ATOM 0 HA LYS A 64 16.401 3.898 7.906 1.00 0.00 H new ATOM 0 HB2 LYS A 64 18.892 3.508 8.086 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.974 3.104 9.524 1.00 0.00 H new ATOM 0 HG2 LYS A 64 18.382 0.851 7.629 1.00 0.00 H new ATOM 0 HG3 LYS A 64 19.846 1.478 8.361 1.00 0.00 H new ATOM 0 HD2 LYS A 64 19.171 0.918 10.537 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.466 0.953 10.135 1.00 0.00 H new ATOM 0 HE2 LYS A 64 17.609 -1.144 8.943 1.00 0.00 H new ATOM 0 HE3 LYS A 64 19.360 -1.126 8.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 18.461 -2.627 10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 19.279 -1.348 11.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.582 -1.366 11.361 1.00 0.00 H new ATOM 983 N GLY A 65 17.618 3.977 5.631 1.00 0.00 N ATOM 984 CA GLY A 65 17.935 4.020 4.212 1.00 0.00 C ATOM 985 C GLY A 65 18.656 5.295 3.809 1.00 0.00 C ATOM 986 O GLY A 65 18.022 6.262 3.380 1.00 0.00 O ATOM 0 H GLY A 65 17.779 4.851 6.132 1.00 0.00 H new ATOM 0 HA2 GLY A 65 18.555 3.161 3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 65 17.014 3.931 3.636 1.00 0.00 H new ATOM 990 N GLY A 66 19.984 5.295 3.946 1.00 0.00 N ATOM 991 CA GLY A 66 20.774 6.464 3.588 1.00 0.00 C ATOM 992 C GLY A 66 22.251 6.149 3.449 1.00 0.00 C ATOM 993 O GLY A 66 23.013 6.442 4.395 1.00 0.00 O ATOM 0 H GLY A 66 20.525 4.506 4.299 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.404 6.874 2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 66 20.640 7.235 4.347 1.00 0.00 H new TER 997 GLY A 66