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 Single : A 1 MET CE :methyl 134:sc= -0.355 (180deg=-1.34!) USER MOD Single : A 1 MET N :NH3+ -148:sc= -0.316 (180deg=-0.533) USER MOD Single : A 2 ASN : amide:sc= -0.744 K(o=-0.74,f=-3.8!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 105:sc= 0.745 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.312 K(o=-0.31,f=-0.86) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0.0416 X(o=0.042,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 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 3.751 7.717 -4.237 1.00 0.00 N ATOM 2 CA MET A 1 4.657 6.556 -4.464 1.00 0.00 C ATOM 3 C MET A 1 4.159 5.309 -3.736 1.00 0.00 C ATOM 4 O MET A 1 3.241 5.380 -2.917 1.00 0.00 O ATOM 5 CB MET A 1 6.064 6.926 -3.973 1.00 0.00 C ATOM 6 CG MET A 1 7.182 6.453 -4.892 1.00 0.00 C ATOM 7 SD MET A 1 7.484 7.584 -6.263 1.00 0.00 S ATOM 8 CE MET A 1 7.987 9.060 -5.380 1.00 0.00 C ATOM 0 H1 MET A 1 3.753 8.328 -5.078 1.00 0.00 H new ATOM 0 H2 MET A 1 2.785 7.374 -4.060 1.00 0.00 H new ATOM 0 H3 MET A 1 4.082 8.260 -3.414 1.00 0.00 H new ATOM 0 HA MET A 1 4.677 6.327 -5.530 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.128 8.009 -3.867 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.216 6.499 -2.982 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.098 6.338 -4.313 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.930 5.469 -5.287 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.876 9.480 -5.850 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.181 9.793 -5.409 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.210 8.806 -4.344 1.00 0.00 H new ATOM 20 N ASN A 2 4.777 4.170 -4.041 1.00 0.00 N ATOM 21 CA ASN A 2 4.410 2.903 -3.420 1.00 0.00 C ATOM 22 C ASN A 2 5.133 2.738 -2.087 1.00 0.00 C ATOM 23 O ASN A 2 6.316 3.065 -1.966 1.00 0.00 O ATOM 24 CB ASN A 2 4.750 1.728 -4.344 1.00 0.00 C ATOM 25 CG ASN A 2 3.780 1.586 -5.505 1.00 0.00 C ATOM 26 OD1 ASN A 2 2.997 0.640 -5.557 1.00 0.00 O ATOM 27 ND2 ASN A 2 3.827 2.524 -6.447 1.00 0.00 N ATOM 0 H ASN A 2 5.537 4.101 -4.718 1.00 0.00 H new ATOM 0 HA ASN A 2 3.334 2.909 -3.244 1.00 0.00 H new ATOM 0 HB2 ASN A 2 5.759 1.860 -4.735 1.00 0.00 H new ATOM 0 HB3 ASN A 2 4.751 0.805 -3.764 1.00 0.00 H new ATOM 0 HD21 ASN A 2 3.199 2.473 -7.249 1.00 0.00 H new ATOM 0 HD22 ASN A 2 4.491 3.294 -6.367 1.00 0.00 H new ATOM 34 N VAL A 3 4.413 2.236 -1.090 1.00 0.00 N ATOM 35 CA VAL A 3 4.978 2.029 0.239 1.00 0.00 C ATOM 36 C VAL A 3 5.290 0.555 0.480 1.00 0.00 C ATOM 37 O VAL A 3 4.523 -0.326 0.081 1.00 0.00 O ATOM 38 CB VAL A 3 4.044 2.553 1.354 1.00 0.00 C ATOM 39 CG1 VAL A 3 3.697 4.019 1.123 1.00 0.00 C ATOM 40 CG2 VAL A 3 2.782 1.705 1.455 1.00 0.00 C ATOM 0 H VAL A 3 3.434 1.964 -1.177 1.00 0.00 H new ATOM 0 HA VAL A 3 5.905 2.601 0.276 1.00 0.00 H new ATOM 0 HB VAL A 3 4.575 2.475 2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.039 4.367 1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.611 4.613 1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.193 4.127 0.163 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.143 2.096 2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.245 1.737 0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.053 0.674 1.683 1.00 0.00 H new ATOM 50 N THR A 4 6.421 0.290 1.131 1.00 0.00 N ATOM 51 CA THR A 4 6.830 -1.081 1.419 1.00 0.00 C ATOM 52 C THR A 4 5.989 -1.649 2.554 1.00 0.00 C ATOM 53 O THR A 4 6.064 -1.183 3.695 1.00 0.00 O ATOM 54 CB THR A 4 8.318 -1.139 1.780 1.00 0.00 C ATOM 55 OG1 THR A 4 9.100 -0.507 0.781 1.00 0.00 O ATOM 56 CG2 THR A 4 8.841 -2.552 1.946 1.00 0.00 C ATOM 0 H THR A 4 7.067 1.004 1.467 1.00 0.00 H new ATOM 0 HA THR A 4 6.672 -1.684 0.525 1.00 0.00 H new ATOM 0 HB THR A 4 8.404 -0.623 2.736 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.047 -0.552 1.029 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.900 -2.520 2.201 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.291 -3.052 2.743 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.708 -3.101 1.014 1.00 0.00 H new ATOM 64 N VAL A 5 5.174 -2.648 2.224 1.00 0.00 N ATOM 65 CA VAL A 5 4.296 -3.278 3.201 1.00 0.00 C ATOM 66 C VAL A 5 4.744 -4.702 3.521 1.00 0.00 C ATOM 67 O VAL A 5 5.021 -5.499 2.620 1.00 0.00 O ATOM 68 CB VAL A 5 2.831 -3.301 2.710 1.00 0.00 C ATOM 69 CG1 VAL A 5 2.334 -1.887 2.437 1.00 0.00 C ATOM 70 CG2 VAL A 5 2.683 -4.173 1.468 1.00 0.00 C ATOM 0 H VAL A 5 5.105 -3.038 1.284 1.00 0.00 H new ATOM 0 HA VAL A 5 4.357 -2.678 4.109 1.00 0.00 H new ATOM 0 HB VAL A 5 2.218 -3.735 3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.301 -1.925 2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.390 -1.299 3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.956 -1.425 1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.642 -4.171 1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.312 -3.779 0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.989 -5.193 1.701 1.00 0.00 H new ATOM 80 N GLU A 6 4.800 -5.017 4.812 1.00 0.00 N ATOM 81 CA GLU A 6 5.199 -6.347 5.259 1.00 0.00 C ATOM 82 C GLU A 6 4.000 -7.290 5.239 1.00 0.00 C ATOM 83 O GLU A 6 3.038 -7.103 5.988 1.00 0.00 O ATOM 84 CB GLU A 6 5.798 -6.281 6.667 1.00 0.00 C ATOM 85 CG GLU A 6 6.919 -7.284 6.904 1.00 0.00 C ATOM 86 CD GLU A 6 6.930 -7.827 8.322 1.00 0.00 C ATOM 87 OE1 GLU A 6 6.894 -7.015 9.272 1.00 0.00 O ATOM 88 OE2 GLU A 6 6.977 -9.065 8.482 1.00 0.00 O ATOM 0 H GLU A 6 4.574 -4.369 5.567 1.00 0.00 H new ATOM 0 HA GLU A 6 5.959 -6.730 4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.179 -5.275 6.843 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.007 -6.454 7.397 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.814 -8.112 6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 6 7.877 -6.808 6.694 1.00 0.00 H new ATOM 95 N VAL A 7 4.063 -8.299 4.373 1.00 0.00 N ATOM 96 CA VAL A 7 2.982 -9.269 4.249 1.00 0.00 C ATOM 97 C VAL A 7 3.117 -10.374 5.292 1.00 0.00 C ATOM 98 O VAL A 7 4.188 -10.952 5.465 1.00 0.00 O ATOM 99 CB VAL A 7 2.921 -9.894 2.834 1.00 0.00 C ATOM 100 CG1 VAL A 7 2.367 -8.893 1.832 1.00 0.00 C ATOM 101 CG2 VAL A 7 4.289 -10.386 2.388 1.00 0.00 C ATOM 0 H VAL A 7 4.852 -8.465 3.748 1.00 0.00 H new ATOM 0 HA VAL A 7 2.053 -8.725 4.420 1.00 0.00 H new ATOM 0 HB VAL A 7 2.252 -10.753 2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.331 -9.350 0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.362 -8.597 2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.010 -8.014 1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.212 -10.819 1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.988 -9.550 2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.649 -11.142 3.086 1.00 0.00 H new ATOM 111 N VAL A 8 2.021 -10.651 5.993 1.00 0.00 N ATOM 112 CA VAL A 8 2.010 -11.682 7.033 1.00 0.00 C ATOM 113 C VAL A 8 2.424 -13.042 6.466 1.00 0.00 C ATOM 114 O VAL A 8 1.792 -13.558 5.541 1.00 0.00 O ATOM 115 CB VAL A 8 0.619 -11.807 7.691 1.00 0.00 C ATOM 116 CG1 VAL A 8 0.654 -12.807 8.838 1.00 0.00 C ATOM 117 CG2 VAL A 8 0.124 -10.449 8.174 1.00 0.00 C ATOM 0 H VAL A 8 1.127 -10.177 5.862 1.00 0.00 H new ATOM 0 HA VAL A 8 2.731 -11.375 7.790 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.080 -12.174 6.940 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.336 -12.880 9.288 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.953 -13.784 8.460 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.370 -12.474 9.589 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.858 -10.562 8.634 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.824 -10.046 8.906 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.052 -9.766 7.328 1.00 0.00 H new ATOM 127 N GLY A 9 3.498 -13.609 7.021 1.00 0.00 N ATOM 128 CA GLY A 9 3.993 -14.899 6.562 1.00 0.00 C ATOM 129 C GLY A 9 5.033 -14.764 5.461 1.00 0.00 C ATOM 130 O GLY A 9 6.136 -15.299 5.570 1.00 0.00 O ATOM 0 H GLY A 9 4.035 -13.195 7.783 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.427 -15.439 7.404 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.158 -15.497 6.197 1.00 0.00 H new ATOM 134 N GLU A 10 4.670 -14.041 4.404 1.00 0.00 N ATOM 135 CA GLU A 10 5.560 -13.813 3.265 1.00 0.00 C ATOM 136 C GLU A 10 6.589 -12.720 3.574 1.00 0.00 C ATOM 137 O GLU A 10 6.434 -11.966 4.536 1.00 0.00 O ATOM 138 CB GLU A 10 4.743 -13.433 2.026 1.00 0.00 C ATOM 139 CG GLU A 10 4.216 -14.627 1.244 1.00 0.00 C ATOM 140 CD GLU A 10 4.972 -14.855 -0.050 1.00 0.00 C ATOM 141 OE1 GLU A 10 4.761 -14.077 -1.006 1.00 0.00 O ATOM 142 OE2 GLU A 10 5.772 -15.811 -0.109 1.00 0.00 O ATOM 0 H GLU A 10 3.756 -13.598 4.312 1.00 0.00 H new ATOM 0 HA GLU A 10 6.100 -14.739 3.068 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.901 -12.813 2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.363 -12.825 1.367 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.285 -15.521 1.863 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.160 -14.474 1.022 1.00 0.00 H new ATOM 149 N GLU A 11 7.643 -12.650 2.754 1.00 0.00 N ATOM 150 CA GLU A 11 8.710 -11.655 2.930 1.00 0.00 C ATOM 151 C GLU A 11 8.163 -10.224 2.771 1.00 0.00 C ATOM 152 O GLU A 11 6.983 -9.976 3.008 1.00 0.00 O ATOM 153 CB GLU A 11 9.840 -11.920 1.923 1.00 0.00 C ATOM 154 CG GLU A 11 11.237 -11.828 2.526 1.00 0.00 C ATOM 155 CD GLU A 11 12.302 -12.478 1.658 1.00 0.00 C ATOM 156 OE1 GLU A 11 12.127 -13.656 1.277 1.00 0.00 O ATOM 157 OE2 GLU A 11 13.311 -11.807 1.359 1.00 0.00 O ATOM 0 H GLU A 11 7.782 -13.273 1.958 1.00 0.00 H new ATOM 0 HA GLU A 11 9.108 -11.747 3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.705 -12.912 1.493 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.760 -11.204 1.105 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.492 -10.780 2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.235 -12.303 3.507 1.00 0.00 H new ATOM 164 N THR A 12 9.019 -9.278 2.378 1.00 0.00 N ATOM 165 CA THR A 12 8.590 -7.890 2.209 1.00 0.00 C ATOM 166 C THR A 12 8.324 -7.578 0.737 1.00 0.00 C ATOM 167 O THR A 12 9.128 -7.917 -0.134 1.00 0.00 O ATOM 168 CB THR A 12 9.645 -6.925 2.766 1.00 0.00 C ATOM 169 OG1 THR A 12 10.463 -7.557 3.739 1.00 0.00 O ATOM 170 CG2 THR A 12 9.042 -5.693 3.406 1.00 0.00 C ATOM 0 H THR A 12 10.004 -9.446 2.173 1.00 0.00 H new ATOM 0 HA THR A 12 7.663 -7.757 2.766 1.00 0.00 H new ATOM 0 HB THR A 12 10.236 -6.623 1.901 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.126 -6.918 4.074 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.839 -5.050 3.780 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.455 -5.149 2.666 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.398 -5.991 4.233 1.00 0.00 H new ATOM 178 N SER A 13 7.184 -6.936 0.469 1.00 0.00 N ATOM 179 CA SER A 13 6.800 -6.583 -0.900 1.00 0.00 C ATOM 180 C SER A 13 6.386 -5.115 -1.001 1.00 0.00 C ATOM 181 O SER A 13 6.082 -4.470 0.007 1.00 0.00 O ATOM 182 CB SER A 13 5.655 -7.482 -1.392 1.00 0.00 C ATOM 183 OG SER A 13 5.646 -8.735 -0.725 1.00 0.00 O ATOM 0 H SER A 13 6.512 -6.650 1.181 1.00 0.00 H new ATOM 0 HA SER A 13 7.673 -6.739 -1.535 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.702 -6.978 -1.232 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.754 -7.642 -2.466 1.00 0.00 H new ATOM 0 HG SER A 13 4.904 -9.280 -1.062 1.00 0.00 H new ATOM 189 N GLU A 14 6.371 -4.595 -2.229 1.00 0.00 N ATOM 190 CA GLU A 14 5.989 -3.209 -2.478 1.00 0.00 C ATOM 191 C GLU A 14 4.581 -3.145 -3.062 1.00 0.00 C ATOM 192 O GLU A 14 4.302 -3.745 -4.103 1.00 0.00 O ATOM 193 CB GLU A 14 6.985 -2.539 -3.429 1.00 0.00 C ATOM 194 CG GLU A 14 8.411 -2.505 -2.897 1.00 0.00 C ATOM 195 CD GLU A 14 9.436 -2.864 -3.955 1.00 0.00 C ATOM 196 OE1 GLU A 14 9.722 -4.069 -4.122 1.00 0.00 O ATOM 197 OE2 GLU A 14 9.955 -1.940 -4.617 1.00 0.00 O ATOM 0 H GLU A 14 6.621 -5.118 -3.069 1.00 0.00 H new ATOM 0 HA GLU A 14 6.001 -2.673 -1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.975 -3.067 -4.383 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.656 -1.519 -3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.627 -1.509 -2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.500 -3.198 -2.060 1.00 0.00 H new ATOM 204 N VAL A 15 3.695 -2.427 -2.378 1.00 0.00 N ATOM 205 CA VAL A 15 2.309 -2.293 -2.817 1.00 0.00 C ATOM 206 C VAL A 15 1.882 -0.823 -2.840 1.00 0.00 C ATOM 207 O VAL A 15 2.392 -0.006 -2.069 1.00 0.00 O ATOM 208 CB VAL A 15 1.363 -3.104 -1.898 1.00 0.00 C ATOM 209 CG1 VAL A 15 -0.097 -2.877 -2.263 1.00 0.00 C ATOM 210 CG2 VAL A 15 1.700 -4.588 -1.957 1.00 0.00 C ATOM 0 H VAL A 15 3.913 -1.928 -1.516 1.00 0.00 H new ATOM 0 HA VAL A 15 2.241 -2.690 -3.830 1.00 0.00 H new ATOM 0 HB VAL A 15 1.512 -2.751 -0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.733 -3.461 -1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.338 -1.819 -2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.267 -3.188 -3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.024 -5.141 -1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.590 -4.946 -2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.728 -4.741 -1.628 1.00 0.00 H new ATOM 220 N ALA A 16 0.942 -0.494 -3.729 1.00 0.00 N ATOM 221 CA ALA A 16 0.448 0.872 -3.855 1.00 0.00 C ATOM 222 C ALA A 16 -0.661 1.148 -2.846 1.00 0.00 C ATOM 223 O ALA A 16 -1.428 0.251 -2.489 1.00 0.00 O ATOM 224 CB ALA A 16 -0.047 1.127 -5.271 1.00 0.00 C ATOM 0 H ALA A 16 0.510 -1.158 -4.371 1.00 0.00 H new ATOM 0 HA ALA A 16 1.273 1.552 -3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.413 2.151 -5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.772 0.979 -5.975 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.855 0.434 -5.504 1.00 0.00 H new ATOM 230 N VAL A 17 -0.731 2.392 -2.384 1.00 0.00 N ATOM 231 CA VAL A 17 -1.740 2.795 -1.401 1.00 0.00 C ATOM 232 C VAL A 17 -2.699 3.848 -1.962 1.00 0.00 C ATOM 233 O VAL A 17 -2.323 4.665 -2.804 1.00 0.00 O ATOM 234 CB VAL A 17 -1.081 3.349 -0.117 1.00 0.00 C ATOM 235 CG1 VAL A 17 -2.118 3.562 0.978 1.00 0.00 C ATOM 236 CG2 VAL A 17 0.020 2.418 0.365 1.00 0.00 C ATOM 0 H VAL A 17 -0.102 3.142 -2.672 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.309 1.897 -1.160 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.636 4.315 -0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.629 3.952 1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.869 4.274 0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.599 2.613 1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.471 2.826 1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.402 1.436 0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.781 2.323 -0.409 1.00 0.00 H new ATOM 246 N ASP A 18 -3.942 3.818 -1.473 1.00 0.00 N ATOM 247 CA ASP A 18 -4.972 4.763 -1.900 1.00 0.00 C ATOM 248 C ASP A 18 -4.866 6.067 -1.113 1.00 0.00 C ATOM 249 O ASP A 18 -4.858 7.153 -1.691 1.00 0.00 O ATOM 250 CB ASP A 18 -6.364 4.155 -1.705 1.00 0.00 C ATOM 251 CG ASP A 18 -7.321 4.516 -2.825 1.00 0.00 C ATOM 252 OD1 ASP A 18 -7.924 5.609 -2.763 1.00 0.00 O ATOM 253 OD2 ASP A 18 -7.464 3.706 -3.764 1.00 0.00 O ATOM 0 H ASP A 18 -4.259 3.144 -0.776 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.819 4.977 -2.958 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.277 3.070 -1.642 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.776 4.497 -0.756 1.00 0.00 H new ATOM 258 N ASP A 19 -4.785 5.946 0.216 1.00 0.00 N ATOM 259 CA ASP A 19 -4.680 7.109 1.101 1.00 0.00 C ATOM 260 C ASP A 19 -3.440 7.952 0.791 1.00 0.00 C ATOM 261 O ASP A 19 -3.392 9.133 1.136 1.00 0.00 O ATOM 262 CB ASP A 19 -4.644 6.658 2.563 1.00 0.00 C ATOM 263 CG ASP A 19 -6.005 6.219 3.069 1.00 0.00 C ATOM 264 OD1 ASP A 19 -6.588 5.283 2.481 1.00 0.00 O ATOM 265 OD2 ASP A 19 -6.484 6.808 4.060 1.00 0.00 O ATOM 0 H ASP A 19 -4.790 5.050 0.703 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.559 7.730 0.929 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.938 5.835 2.669 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.276 7.475 3.183 1.00 0.00 H new ATOM 270 N ASP A 20 -2.445 7.337 0.143 1.00 0.00 N ATOM 271 CA ASP A 20 -1.201 8.021 -0.216 1.00 0.00 C ATOM 272 C ASP A 20 -1.467 9.426 -0.768 1.00 0.00 C ATOM 273 O ASP A 20 -0.863 10.400 -0.317 1.00 0.00 O ATOM 274 CB ASP A 20 -0.422 7.196 -1.248 1.00 0.00 C ATOM 275 CG ASP A 20 1.058 7.106 -0.928 1.00 0.00 C ATOM 276 OD1 ASP A 20 1.809 8.021 -1.326 1.00 0.00 O ATOM 277 OD2 ASP A 20 1.467 6.117 -0.283 1.00 0.00 O ATOM 0 H ASP A 20 -2.479 6.359 -0.145 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.607 8.123 0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.841 6.191 -1.295 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.550 7.641 -2.235 1.00 0.00 H new ATOM 282 N GLY A 21 -2.367 9.525 -1.751 1.00 0.00 N ATOM 283 CA GLY A 21 -2.679 10.819 -2.342 1.00 0.00 C ATOM 284 C GLY A 21 -1.806 11.154 -3.543 1.00 0.00 C ATOM 285 O GLY A 21 -2.102 12.086 -4.294 1.00 0.00 O ATOM 0 H GLY A 21 -2.881 8.737 -2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.725 10.829 -2.647 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.560 11.595 -1.586 1.00 0.00 H new ATOM 289 N THR A 22 -0.726 10.399 -3.715 1.00 0.00 N ATOM 290 CA THR A 22 0.207 10.613 -4.820 1.00 0.00 C ATOM 291 C THR A 22 -0.243 9.857 -6.080 1.00 0.00 C ATOM 292 O THR A 22 -1.280 9.191 -6.079 1.00 0.00 O ATOM 293 CB THR A 22 1.630 10.193 -4.414 1.00 0.00 C ATOM 294 OG1 THR A 22 1.829 10.352 -3.018 1.00 0.00 O ATOM 295 CG2 THR A 22 2.711 10.990 -5.113 1.00 0.00 C ATOM 0 H THR A 22 -0.472 9.627 -3.099 1.00 0.00 H new ATOM 0 HA THR A 22 0.214 11.678 -5.053 1.00 0.00 H new ATOM 0 HB THR A 22 1.711 9.147 -4.710 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.810 9.474 -2.583 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.690 10.644 -4.782 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.624 10.854 -6.191 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.599 12.047 -4.870 1.00 0.00 H new ATOM 303 N TYR A 23 0.541 9.980 -7.157 1.00 0.00 N ATOM 304 CA TYR A 23 0.228 9.330 -8.436 1.00 0.00 C ATOM 305 C TYR A 23 0.057 7.817 -8.274 1.00 0.00 C ATOM 306 O TYR A 23 -0.731 7.201 -8.994 1.00 0.00 O ATOM 307 CB TYR A 23 1.327 9.619 -9.467 1.00 0.00 C ATOM 308 CG TYR A 23 1.651 11.091 -9.622 1.00 0.00 C ATOM 309 CD1 TYR A 23 0.923 11.896 -10.490 1.00 0.00 C ATOM 310 CD2 TYR A 23 2.681 11.677 -8.895 1.00 0.00 C ATOM 311 CE1 TYR A 23 1.213 13.240 -10.629 1.00 0.00 C ATOM 312 CE2 TYR A 23 2.976 13.020 -9.027 1.00 0.00 C ATOM 313 CZ TYR A 23 2.240 13.798 -9.896 1.00 0.00 C ATOM 314 OH TYR A 23 2.530 15.137 -10.030 1.00 0.00 O ATOM 0 H TYR A 23 1.402 10.527 -7.168 1.00 0.00 H new ATOM 0 HA TYR A 23 -0.717 9.743 -8.788 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.233 9.086 -9.177 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.018 9.221 -10.434 1.00 0.00 H new ATOM 0 HD1 TYR A 23 0.117 11.464 -11.065 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.261 11.071 -8.215 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.638 13.851 -11.309 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.779 13.458 -8.453 1.00 0.00 H new ATOM 0 HH TYR A 23 3.280 15.370 -9.443 1.00 0.00 H new ATOM 324 N ALA A 24 0.785 7.221 -7.324 1.00 0.00 N ATOM 325 CA ALA A 24 0.688 5.779 -7.078 1.00 0.00 C ATOM 326 C ALA A 24 -0.760 5.369 -6.789 1.00 0.00 C ATOM 327 O ALA A 24 -1.198 4.290 -7.187 1.00 0.00 O ATOM 328 CB ALA A 24 1.590 5.370 -5.922 1.00 0.00 C ATOM 0 H ALA A 24 1.443 7.710 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 24 1.019 5.262 -7.979 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.504 4.296 -5.755 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.624 5.618 -6.162 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.289 5.903 -5.020 1.00 0.00 H new ATOM 334 N ASP A 25 -1.501 6.245 -6.105 1.00 0.00 N ATOM 335 CA ASP A 25 -2.904 5.987 -5.777 1.00 0.00 C ATOM 336 C ASP A 25 -3.742 5.850 -7.052 1.00 0.00 C ATOM 337 O ASP A 25 -4.560 4.935 -7.168 1.00 0.00 O ATOM 338 CB ASP A 25 -3.446 7.123 -4.895 1.00 0.00 C ATOM 339 CG ASP A 25 -4.956 7.094 -4.709 1.00 0.00 C ATOM 340 OD1 ASP A 25 -5.555 6.001 -4.777 1.00 0.00 O ATOM 341 OD2 ASP A 25 -5.540 8.174 -4.488 1.00 0.00 O ATOM 0 H ASP A 25 -1.151 7.141 -5.767 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.971 5.048 -5.228 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.968 7.069 -3.917 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.163 8.079 -5.336 1.00 0.00 H new ATOM 346 N LEU A 26 -3.522 6.755 -8.011 1.00 0.00 N ATOM 347 CA LEU A 26 -4.253 6.729 -9.281 1.00 0.00 C ATOM 348 C LEU A 26 -4.102 5.371 -9.973 1.00 0.00 C ATOM 349 O LEU A 26 -5.090 4.785 -10.417 1.00 0.00 O ATOM 350 CB LEU A 26 -3.757 7.851 -10.210 1.00 0.00 C ATOM 351 CG LEU A 26 -4.828 8.485 -11.106 1.00 0.00 C ATOM 352 CD1 LEU A 26 -5.427 7.447 -12.044 1.00 0.00 C ATOM 353 CD2 LEU A 26 -5.914 9.134 -10.260 1.00 0.00 C ATOM 0 H LEU A 26 -2.845 7.513 -7.932 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.309 6.889 -9.064 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.309 8.634 -9.599 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.967 7.451 -10.845 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.355 9.258 -11.711 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.185 7.917 -12.671 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.642 7.030 -12.675 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.884 6.649 -11.459 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.666 9.579 -10.912 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.382 8.380 -9.628 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.473 9.909 -9.633 1.00 0.00 H new ATOM 365 N VAL A 27 -2.869 4.865 -10.044 1.00 0.00 N ATOM 366 CA VAL A 27 -2.613 3.561 -10.669 1.00 0.00 C ATOM 367 C VAL A 27 -3.145 2.418 -9.795 1.00 0.00 C ATOM 368 O VAL A 27 -3.604 1.395 -10.308 1.00 0.00 O ATOM 369 CB VAL A 27 -1.110 3.345 -10.964 1.00 0.00 C ATOM 370 CG1 VAL A 27 -0.284 3.364 -9.687 1.00 0.00 C ATOM 371 CG2 VAL A 27 -0.889 2.045 -11.729 1.00 0.00 C ATOM 0 H VAL A 27 -2.038 5.331 -9.681 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.146 3.557 -11.620 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.775 4.173 -11.589 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.767 3.209 -9.931 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.403 4.327 -9.191 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.623 2.569 -9.023 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.175 1.915 -11.925 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.254 1.207 -11.135 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.430 2.083 -12.674 1.00 0.00 H new ATOM 381 N ARG A 28 -3.084 2.609 -8.476 1.00 0.00 N ATOM 382 CA ARG A 28 -3.563 1.610 -7.521 1.00 0.00 C ATOM 383 C ARG A 28 -5.075 1.403 -7.655 1.00 0.00 C ATOM 384 O ARG A 28 -5.560 0.273 -7.592 1.00 0.00 O ATOM 385 CB ARG A 28 -3.219 2.044 -6.091 1.00 0.00 C ATOM 386 CG ARG A 28 -3.792 1.133 -5.017 1.00 0.00 C ATOM 387 CD ARG A 28 -5.077 1.701 -4.436 1.00 0.00 C ATOM 388 NE ARG A 28 -5.449 1.045 -3.183 1.00 0.00 N ATOM 389 CZ ARG A 28 -6.089 -0.126 -3.110 1.00 0.00 C ATOM 390 NH1 ARG A 28 -6.419 -0.789 -4.216 1.00 0.00 N ATOM 391 NH2 ARG A 28 -6.396 -0.638 -1.922 1.00 0.00 N ATOM 0 H ARG A 28 -2.705 3.452 -8.044 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.068 0.664 -7.740 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.135 2.080 -5.983 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.589 3.057 -5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.986 0.147 -5.440 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.059 1.000 -4.221 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.955 2.770 -4.263 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.884 1.585 -5.159 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.204 1.511 -2.309 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.183 -0.404 -5.131 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.907 -1.682 -4.149 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.143 -0.137 -1.070 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.884 -1.531 -1.863 1.00 0.00 H new ATOM 405 N ALA A 29 -5.811 2.504 -7.833 1.00 0.00 N ATOM 406 CA ALA A 29 -7.270 2.452 -7.973 1.00 0.00 C ATOM 407 C ALA A 29 -7.694 1.625 -9.185 1.00 0.00 C ATOM 408 O ALA A 29 -8.781 1.043 -9.193 1.00 0.00 O ATOM 409 CB ALA A 29 -7.848 3.859 -8.066 1.00 0.00 C ATOM 0 H ALA A 29 -5.420 3.445 -7.884 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.666 1.963 -7.083 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.932 3.801 -8.169 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.599 4.415 -7.162 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.427 4.369 -8.933 1.00 0.00 H new ATOM 415 N VAL A 30 -6.833 1.559 -10.202 1.00 0.00 N ATOM 416 CA VAL A 30 -7.134 0.779 -11.400 1.00 0.00 C ATOM 417 C VAL A 30 -6.809 -0.706 -11.182 1.00 0.00 C ATOM 418 O VAL A 30 -6.978 -1.523 -12.090 1.00 0.00 O ATOM 419 CB VAL A 30 -6.348 1.297 -12.624 1.00 0.00 C ATOM 420 CG1 VAL A 30 -6.875 0.664 -13.906 1.00 0.00 C ATOM 421 CG2 VAL A 30 -6.409 2.819 -12.707 1.00 0.00 C ATOM 0 H VAL A 30 -5.930 2.032 -10.219 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.201 0.891 -11.595 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.304 1.009 -12.504 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.309 1.041 -14.758 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.766 -0.419 -13.849 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.928 0.916 -14.030 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.848 3.159 -13.577 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.448 3.137 -12.798 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.975 3.250 -11.805 1.00 0.00 H new ATOM 431 N ASP A 31 -6.349 -1.054 -9.968 1.00 0.00 N ATOM 432 CA ASP A 31 -6.013 -2.433 -9.624 1.00 0.00 C ATOM 433 C ASP A 31 -5.052 -3.031 -10.649 1.00 0.00 C ATOM 434 O ASP A 31 -5.250 -4.147 -11.133 1.00 0.00 O ATOM 435 CB ASP A 31 -7.288 -3.275 -9.500 1.00 0.00 C ATOM 436 CG ASP A 31 -7.129 -4.471 -8.576 1.00 0.00 C ATOM 437 OD1 ASP A 31 -5.986 -4.943 -8.391 1.00 0.00 O ATOM 438 OD2 ASP A 31 -8.152 -4.934 -8.033 1.00 0.00 O ATOM 0 H ASP A 31 -6.203 -0.389 -9.209 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.507 -2.437 -8.658 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.097 -2.645 -9.132 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.582 -3.625 -10.489 1.00 0.00 H new ATOM 443 N LEU A 32 -4.004 -2.275 -10.975 1.00 0.00 N ATOM 444 CA LEU A 32 -3.008 -2.728 -11.937 1.00 0.00 C ATOM 445 C LEU A 32 -1.757 -3.229 -11.215 1.00 0.00 C ATOM 446 O LEU A 32 -0.631 -2.972 -11.646 1.00 0.00 O ATOM 447 CB LEU A 32 -2.652 -1.593 -12.902 1.00 0.00 C ATOM 448 CG LEU A 32 -3.839 -0.975 -13.642 1.00 0.00 C ATOM 449 CD1 LEU A 32 -3.478 0.411 -14.150 1.00 0.00 C ATOM 450 CD2 LEU A 32 -4.287 -1.877 -14.786 1.00 0.00 C ATOM 0 H LEU A 32 -3.826 -1.349 -10.587 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.427 -3.555 -12.511 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.143 -0.808 -12.343 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.942 -1.971 -13.638 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.672 -0.878 -12.946 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.332 0.840 -14.675 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.212 1.049 -13.308 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.631 0.339 -14.832 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.132 -1.420 -15.300 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.464 -2.010 -15.488 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.585 -2.847 -14.389 1.00 0.00 H new ATOM 462 N SER A 33 -1.965 -3.948 -10.110 1.00 0.00 N ATOM 463 CA SER A 33 -0.857 -4.484 -9.323 1.00 0.00 C ATOM 464 C SER A 33 -0.715 -5.993 -9.536 1.00 0.00 C ATOM 465 O SER A 33 -1.712 -6.713 -9.581 1.00 0.00 O ATOM 466 CB SER A 33 -1.061 -4.183 -7.833 1.00 0.00 C ATOM 467 OG SER A 33 -1.691 -2.927 -7.639 1.00 0.00 O ATOM 0 H SER A 33 -2.890 -4.171 -9.742 1.00 0.00 H new ATOM 0 HA SER A 33 0.059 -3.999 -9.660 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.667 -4.969 -7.381 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.097 -4.191 -7.324 1.00 0.00 H new ATOM 0 HG SER A 33 -1.809 -2.765 -6.680 1.00 0.00 H new ATOM 473 N PRO A 34 0.534 -6.496 -9.662 1.00 0.00 N ATOM 474 CA PRO A 34 0.792 -7.930 -9.862 1.00 0.00 C ATOM 475 C PRO A 34 0.374 -8.774 -8.653 1.00 0.00 C ATOM 476 O PRO A 34 -0.060 -9.917 -8.806 1.00 0.00 O ATOM 477 CB PRO A 34 2.311 -8.001 -10.073 1.00 0.00 C ATOM 478 CG PRO A 34 2.846 -6.765 -9.434 1.00 0.00 C ATOM 479 CD PRO A 34 1.786 -5.714 -9.614 1.00 0.00 C ATOM 0 HA PRO A 34 0.218 -8.331 -10.697 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.732 -8.896 -9.615 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.561 -8.037 -11.133 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.055 -6.931 -8.377 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.782 -6.459 -9.900 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.783 -5.001 -8.790 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.938 -5.142 -10.530 1.00 0.00 H new ATOM 487 N HIS A 35 0.504 -8.200 -7.453 1.00 0.00 N ATOM 488 CA HIS A 35 0.134 -8.897 -6.219 1.00 0.00 C ATOM 489 C HIS A 35 -1.380 -8.856 -5.987 1.00 0.00 C ATOM 490 O HIS A 35 -1.975 -9.849 -5.563 1.00 0.00 O ATOM 491 CB HIS A 35 0.861 -8.281 -5.016 1.00 0.00 C ATOM 492 CG HIS A 35 1.824 -9.217 -4.351 1.00 0.00 C ATOM 493 ND1 HIS A 35 2.800 -9.910 -5.037 1.00 0.00 N ATOM 494 CD2 HIS A 35 1.961 -9.569 -3.050 1.00 0.00 C ATOM 495 CE1 HIS A 35 3.493 -10.647 -4.186 1.00 0.00 C ATOM 496 NE2 HIS A 35 3.005 -10.457 -2.975 1.00 0.00 N ATOM 0 H HIS A 35 0.862 -7.256 -7.311 1.00 0.00 H new ATOM 0 HA HIS A 35 0.436 -9.939 -6.326 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.400 -7.392 -5.344 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.122 -7.954 -4.285 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.360 -9.216 -2.225 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.319 -11.295 -4.439 1.00 0.00 H new ATOM 0 HE2 HIS A 35 3.348 -10.898 -2.122 1.00 0.00 H new ATOM 505 N GLU A 36 -1.992 -7.698 -6.259 1.00 0.00 N ATOM 506 CA GLU A 36 -3.434 -7.516 -6.077 1.00 0.00 C ATOM 507 C GLU A 36 -3.828 -7.755 -4.619 1.00 0.00 C ATOM 508 O GLU A 36 -4.363 -8.811 -4.270 1.00 0.00 O ATOM 509 CB GLU A 36 -4.218 -8.449 -7.008 1.00 0.00 C ATOM 510 CG GLU A 36 -5.655 -8.003 -7.244 1.00 0.00 C ATOM 511 CD GLU A 36 -6.223 -8.481 -8.570 1.00 0.00 C ATOM 512 OE1 GLU A 36 -5.465 -8.542 -9.563 1.00 0.00 O ATOM 513 OE2 GLU A 36 -7.432 -8.788 -8.615 1.00 0.00 O ATOM 0 H GLU A 36 -1.508 -6.871 -6.607 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.684 -6.487 -6.334 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.703 -8.510 -7.967 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.222 -9.453 -6.584 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.281 -8.375 -6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.701 -6.915 -7.208 1.00 0.00 H new ATOM 520 N VAL A 37 -3.545 -6.766 -3.770 1.00 0.00 N ATOM 521 CA VAL A 37 -3.854 -6.865 -2.346 1.00 0.00 C ATOM 522 C VAL A 37 -4.548 -5.602 -1.832 1.00 0.00 C ATOM 523 O VAL A 37 -4.514 -4.555 -2.482 1.00 0.00 O ATOM 524 CB VAL A 37 -2.574 -7.108 -1.517 1.00 0.00 C ATOM 525 CG1 VAL A 37 -1.942 -8.444 -1.872 1.00 0.00 C ATOM 526 CG2 VAL A 37 -1.578 -5.979 -1.724 1.00 0.00 C ATOM 0 H VAL A 37 -3.103 -5.889 -4.045 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.530 -7.712 -2.228 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.855 -7.133 -0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.042 -8.591 -1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.650 -9.247 -1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.680 -8.453 -2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.683 -6.170 -1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.309 -5.920 -2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.027 -5.036 -1.411 1.00 0.00 H new ATOM 536 N THR A 38 -5.165 -5.711 -0.654 1.00 0.00 N ATOM 537 CA THR A 38 -5.858 -4.580 -0.040 1.00 0.00 C ATOM 538 C THR A 38 -4.968 -3.912 1.006 1.00 0.00 C ATOM 539 O THR A 38 -4.602 -4.528 2.009 1.00 0.00 O ATOM 540 CB THR A 38 -7.172 -5.037 0.606 1.00 0.00 C ATOM 541 OG1 THR A 38 -7.898 -5.889 -0.265 1.00 0.00 O ATOM 542 CG2 THR A 38 -8.081 -3.887 0.989 1.00 0.00 C ATOM 0 H THR A 38 -5.198 -6.571 -0.107 1.00 0.00 H new ATOM 0 HA THR A 38 -6.086 -3.856 -0.823 1.00 0.00 H new ATOM 0 HB THR A 38 -6.876 -5.565 1.512 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.731 -6.168 0.170 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.993 -4.279 1.440 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.570 -3.242 1.704 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.335 -3.312 0.099 1.00 0.00 H new ATOM 550 N VAL A 39 -4.624 -2.649 0.764 1.00 0.00 N ATOM 551 CA VAL A 39 -3.775 -1.890 1.679 1.00 0.00 C ATOM 552 C VAL A 39 -4.611 -0.980 2.580 1.00 0.00 C ATOM 553 O VAL A 39 -5.522 -0.294 2.111 1.00 0.00 O ATOM 554 CB VAL A 39 -2.734 -1.044 0.904 1.00 0.00 C ATOM 555 CG1 VAL A 39 -3.418 -0.010 0.019 1.00 0.00 C ATOM 556 CG2 VAL A 39 -1.758 -0.375 1.862 1.00 0.00 C ATOM 0 H VAL A 39 -4.921 -2.128 -0.061 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.246 -2.611 2.302 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.169 -1.717 0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.664 0.570 -0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.062 -0.516 -0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.019 0.657 0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.037 0.213 1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.305 0.279 2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.232 -1.137 2.437 1.00 0.00 H new ATOM 566 N LEU A 40 -4.296 -0.980 3.878 1.00 0.00 N ATOM 567 CA LEU A 40 -5.018 -0.156 4.844 1.00 0.00 C ATOM 568 C LEU A 40 -4.075 0.821 5.546 1.00 0.00 C ATOM 569 O LEU A 40 -2.895 0.529 5.726 1.00 0.00 O ATOM 570 CB LEU A 40 -5.719 -1.041 5.880 1.00 0.00 C ATOM 571 CG LEU A 40 -4.812 -2.040 6.612 1.00 0.00 C ATOM 572 CD1 LEU A 40 -5.316 -2.279 8.028 1.00 0.00 C ATOM 573 CD2 LEU A 40 -4.730 -3.353 5.844 1.00 0.00 C ATOM 0 H LEU A 40 -3.546 -1.542 4.281 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.767 0.420 4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.195 -0.398 6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.514 -1.595 5.381 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.810 -1.615 6.670 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.661 -2.990 8.532 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.320 -1.337 8.577 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.328 -2.682 7.991 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.083 -4.048 6.379 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.727 -3.784 5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.322 -3.168 4.850 1.00 0.00 H new ATOM 585 N VAL A 41 -4.608 1.978 5.945 1.00 0.00 N ATOM 586 CA VAL A 41 -3.823 3.000 6.633 1.00 0.00 C ATOM 587 C VAL A 41 -4.513 3.425 7.925 1.00 0.00 C ATOM 588 O VAL A 41 -5.735 3.585 7.964 1.00 0.00 O ATOM 589 CB VAL A 41 -3.599 4.245 5.743 1.00 0.00 C ATOM 590 CG1 VAL A 41 -2.688 5.251 6.434 1.00 0.00 C ATOM 591 CG2 VAL A 41 -3.024 3.845 4.389 1.00 0.00 C ATOM 0 H VAL A 41 -5.586 2.229 5.801 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.853 2.559 6.862 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.567 4.719 5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.546 6.117 5.788 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.143 5.569 7.372 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.722 4.788 6.637 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.875 4.736 3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.069 3.340 4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.717 3.172 3.884 1.00 0.00 H new ATOM 601 N ASP A 42 -3.724 3.601 8.981 1.00 0.00 N ATOM 602 CA ASP A 42 -4.259 4.001 10.278 1.00 0.00 C ATOM 603 C ASP A 42 -4.536 5.500 10.325 1.00 0.00 C ATOM 604 O ASP A 42 -3.634 6.310 10.115 1.00 0.00 O ATOM 605 CB ASP A 42 -3.291 3.605 11.393 1.00 0.00 C ATOM 606 CG ASP A 42 -2.007 4.421 11.392 1.00 0.00 C ATOM 607 OD1 ASP A 42 -1.194 4.252 10.457 1.00 0.00 O ATOM 608 OD2 ASP A 42 -1.813 5.222 12.331 1.00 0.00 O ATOM 0 H ASP A 42 -2.712 3.473 8.964 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.205 3.481 10.427 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.788 3.724 12.356 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.042 2.549 11.291 1.00 0.00 H new ATOM 613 N GLY A 43 -5.791 5.851 10.612 1.00 0.00 N ATOM 614 CA GLY A 43 -6.190 7.247 10.698 1.00 0.00 C ATOM 615 C GLY A 43 -5.671 8.097 9.551 1.00 0.00 C ATOM 616 O GLY A 43 -6.322 8.215 8.510 1.00 0.00 O ATOM 0 H GLY A 43 -6.543 5.185 10.788 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.278 7.305 10.719 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.830 7.662 11.639 1.00 0.00 H new ATOM 620 N ARG A 44 -4.492 8.687 9.749 1.00 0.00 N ATOM 621 CA ARG A 44 -3.860 9.532 8.738 1.00 0.00 C ATOM 622 C ARG A 44 -2.390 9.159 8.556 1.00 0.00 C ATOM 623 O ARG A 44 -1.740 8.696 9.495 1.00 0.00 O ATOM 624 CB ARG A 44 -3.975 11.008 9.129 1.00 0.00 C ATOM 625 CG ARG A 44 -5.359 11.595 8.899 1.00 0.00 C ATOM 626 CD ARG A 44 -6.218 11.504 10.152 1.00 0.00 C ATOM 627 NE ARG A 44 -7.622 11.232 9.840 1.00 0.00 N ATOM 628 CZ ARG A 44 -8.636 11.453 10.684 1.00 0.00 C ATOM 629 NH1 ARG A 44 -8.410 11.937 11.903 1.00 0.00 N ATOM 630 NH2 ARG A 44 -9.881 11.185 10.308 1.00 0.00 N ATOM 0 H ARG A 44 -3.952 8.593 10.609 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.379 9.371 7.793 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.714 11.117 10.182 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.246 11.584 8.558 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.267 12.638 8.594 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.849 11.066 8.082 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.832 10.716 10.799 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.146 12.438 10.709 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.841 10.849 8.920 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.457 12.143 12.201 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.190 12.102 12.539 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -10.063 10.811 9.377 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.655 11.353 10.951 1.00 0.00 H new ATOM 644 N PRO A 45 -1.838 9.371 7.346 1.00 0.00 N ATOM 645 CA PRO A 45 -0.436 9.064 7.060 1.00 0.00 C ATOM 646 C PRO A 45 0.510 10.098 7.666 1.00 0.00 C ATOM 647 O PRO A 45 0.352 11.300 7.441 1.00 0.00 O ATOM 648 CB PRO A 45 -0.374 9.105 5.534 1.00 0.00 C ATOM 649 CG PRO A 45 -1.444 10.064 5.138 1.00 0.00 C ATOM 650 CD PRO A 45 -2.533 9.935 6.172 1.00 0.00 C ATOM 0 HA PRO A 45 -0.125 8.110 7.485 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.604 9.437 5.186 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.547 8.119 5.104 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.059 11.083 5.104 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.824 9.833 4.143 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.985 10.900 6.400 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.335 9.281 5.829 1.00 0.00 H new ATOM 658 N VAL A 46 1.487 9.627 8.438 1.00 0.00 N ATOM 659 CA VAL A 46 2.452 10.518 9.076 1.00 0.00 C ATOM 660 C VAL A 46 3.778 10.523 8.315 1.00 0.00 C ATOM 661 O VAL A 46 4.586 9.603 8.458 1.00 0.00 O ATOM 662 CB VAL A 46 2.710 10.120 10.547 1.00 0.00 C ATOM 663 CG1 VAL A 46 3.562 11.170 11.247 1.00 0.00 C ATOM 664 CG2 VAL A 46 1.397 9.908 11.292 1.00 0.00 C ATOM 0 H VAL A 46 1.631 8.637 8.636 1.00 0.00 H new ATOM 0 HA VAL A 46 2.020 11.518 9.056 1.00 0.00 H new ATOM 0 HB VAL A 46 3.257 9.177 10.551 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.732 10.870 12.281 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.519 11.263 10.734 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.046 12.130 11.227 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.606 9.629 12.325 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.816 10.830 11.276 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.829 9.113 10.809 1.00 0.00 H new ATOM 674 N PRO A 47 4.019 11.562 7.490 1.00 0.00 N ATOM 675 CA PRO A 47 5.254 11.680 6.707 1.00 0.00 C ATOM 676 C PRO A 47 6.450 12.068 7.577 1.00 0.00 C ATOM 677 O PRO A 47 6.755 13.252 7.739 1.00 0.00 O ATOM 678 CB PRO A 47 4.927 12.791 5.705 1.00 0.00 C ATOM 679 CG PRO A 47 3.932 13.642 6.410 1.00 0.00 C ATOM 680 CD PRO A 47 3.110 12.704 7.255 1.00 0.00 C ATOM 0 HA PRO A 47 5.540 10.739 6.237 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.818 13.360 5.437 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.518 12.384 4.780 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.427 14.391 7.028 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.304 14.179 5.699 1.00 0.00 H new ATOM 0 HD2 PRO A 47 2.803 13.172 8.191 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.201 12.393 6.741 1.00 0.00 H new ATOM 688 N GLU A 48 7.119 11.062 8.140 1.00 0.00 N ATOM 689 CA GLU A 48 8.282 11.292 9.000 1.00 0.00 C ATOM 690 C GLU A 48 9.400 12.030 8.253 1.00 0.00 C ATOM 691 O GLU A 48 10.217 12.715 8.870 1.00 0.00 O ATOM 692 CB GLU A 48 8.810 9.961 9.547 1.00 0.00 C ATOM 693 CG GLU A 48 9.134 8.940 8.465 1.00 0.00 C ATOM 694 CD GLU A 48 10.431 8.200 8.729 1.00 0.00 C ATOM 695 OE1 GLU A 48 11.508 8.807 8.550 1.00 0.00 O ATOM 696 OE2 GLU A 48 10.369 7.013 9.114 1.00 0.00 O ATOM 0 H GLU A 48 6.876 10.079 8.017 1.00 0.00 H new ATOM 0 HA GLU A 48 7.959 11.921 9.829 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.708 10.151 10.136 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.069 9.537 10.224 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.318 8.221 8.394 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.198 9.446 7.502 1.00 0.00 H new ATOM 703 N ASP A 49 9.432 11.882 6.925 1.00 0.00 N ATOM 704 CA ASP A 49 10.449 12.533 6.096 1.00 0.00 C ATOM 705 C ASP A 49 10.042 13.963 5.722 1.00 0.00 C ATOM 706 O ASP A 49 10.887 14.766 5.323 1.00 0.00 O ATOM 707 CB ASP A 49 10.694 11.718 4.819 1.00 0.00 C ATOM 708 CG ASP A 49 10.944 10.248 5.100 1.00 0.00 C ATOM 709 OD1 ASP A 49 12.117 9.875 5.314 1.00 0.00 O ATOM 710 OD2 ASP A 49 9.966 9.470 5.107 1.00 0.00 O ATOM 0 H ASP A 49 8.764 11.316 6.401 1.00 0.00 H new ATOM 0 HA ASP A 49 11.367 12.582 6.681 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.832 11.816 4.160 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.550 12.133 4.287 1.00 0.00 H new ATOM 715 N GLN A 50 8.741 14.270 5.843 1.00 0.00 N ATOM 716 CA GLN A 50 8.199 15.597 5.517 1.00 0.00 C ATOM 717 C GLN A 50 7.890 15.732 4.021 1.00 0.00 C ATOM 718 O GLN A 50 6.966 16.452 3.640 1.00 0.00 O ATOM 719 CB GLN A 50 9.152 16.714 5.959 1.00 0.00 C ATOM 720 CG GLN A 50 8.441 17.919 6.556 1.00 0.00 C ATOM 721 CD GLN A 50 8.716 19.201 5.793 1.00 0.00 C ATOM 722 OE1 GLN A 50 9.455 20.066 6.260 1.00 0.00 O ATOM 723 NE2 GLN A 50 8.119 19.332 4.611 1.00 0.00 N ATOM 0 H GLN A 50 8.038 13.607 6.169 1.00 0.00 H new ATOM 0 HA GLN A 50 7.264 15.699 6.069 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.851 16.314 6.693 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.741 17.038 5.101 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.367 17.732 6.569 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.755 18.044 7.592 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.513 18.590 4.260 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.267 20.175 4.055 1.00 0.00 H new ATOM 732 N SER A 51 8.659 15.037 3.182 1.00 0.00 N ATOM 733 CA SER A 51 8.455 15.077 1.737 1.00 0.00 C ATOM 734 C SER A 51 7.783 13.792 1.260 1.00 0.00 C ATOM 735 O SER A 51 8.119 12.700 1.724 1.00 0.00 O ATOM 736 CB SER A 51 9.786 15.272 1.012 1.00 0.00 C ATOM 737 OG SER A 51 9.987 16.633 0.667 1.00 0.00 O ATOM 0 H SER A 51 9.430 14.439 3.481 1.00 0.00 H new ATOM 0 HA SER A 51 7.805 15.921 1.506 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.603 14.931 1.648 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.806 14.659 0.111 1.00 0.00 H new ATOM 0 HG SER A 51 10.846 16.730 0.206 1.00 0.00 H new ATOM 743 N VAL A 52 6.823 13.933 0.342 1.00 0.00 N ATOM 744 CA VAL A 52 6.084 12.791 -0.195 1.00 0.00 C ATOM 745 C VAL A 52 5.211 12.168 0.892 1.00 0.00 C ATOM 746 O VAL A 52 5.707 11.471 1.779 1.00 0.00 O ATOM 747 CB VAL A 52 7.019 11.710 -0.790 1.00 0.00 C ATOM 748 CG1 VAL A 52 6.211 10.656 -1.539 1.00 0.00 C ATOM 749 CG2 VAL A 52 8.065 12.337 -1.705 1.00 0.00 C ATOM 0 H VAL A 52 6.539 14.833 -0.046 1.00 0.00 H new ATOM 0 HA VAL A 52 5.458 13.170 -1.003 1.00 0.00 H new ATOM 0 HB VAL A 52 7.541 11.223 0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 52 6.885 9.905 -1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.511 10.179 -0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.658 11.130 -2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.709 11.556 -2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.567 12.858 -2.523 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.667 13.046 -1.137 1.00 0.00 H new ATOM 759 N GLU A 53 3.910 12.444 0.826 1.00 0.00 N ATOM 760 CA GLU A 53 2.958 11.931 1.812 1.00 0.00 C ATOM 761 C GLU A 53 2.825 10.411 1.722 1.00 0.00 C ATOM 762 O GLU A 53 1.858 9.893 1.160 1.00 0.00 O ATOM 763 CB GLU A 53 1.586 12.587 1.624 1.00 0.00 C ATOM 764 CG GLU A 53 1.623 14.106 1.658 1.00 0.00 C ATOM 765 CD GLU A 53 0.258 14.721 1.428 1.00 0.00 C ATOM 766 OE1 GLU A 53 -0.553 14.734 2.378 1.00 0.00 O ATOM 767 OE2 GLU A 53 -0.002 15.183 0.298 1.00 0.00 O ATOM 0 H GLU A 53 3.489 13.022 0.098 1.00 0.00 H new ATOM 0 HA GLU A 53 3.342 12.181 2.801 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.167 12.264 0.671 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.914 12.232 2.405 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.010 14.436 2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.314 14.467 0.897 1.00 0.00 H new ATOM 774 N VAL A 54 3.804 9.704 2.286 1.00 0.00 N ATOM 775 CA VAL A 54 3.801 8.245 2.282 1.00 0.00 C ATOM 776 C VAL A 54 3.582 7.693 3.687 1.00 0.00 C ATOM 777 O VAL A 54 3.767 8.399 4.682 1.00 0.00 O ATOM 778 CB VAL A 54 5.118 7.663 1.723 1.00 0.00 C ATOM 779 CG1 VAL A 54 5.211 7.885 0.221 1.00 0.00 C ATOM 780 CG2 VAL A 54 6.326 8.262 2.437 1.00 0.00 C ATOM 0 H VAL A 54 4.610 10.121 2.752 1.00 0.00 H new ATOM 0 HA VAL A 54 2.979 7.943 1.633 1.00 0.00 H new ATOM 0 HB VAL A 54 5.118 6.589 1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.146 7.467 -0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.372 7.393 -0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.181 8.954 0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.241 7.836 2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.333 9.343 2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.268 8.036 3.502 1.00 0.00 H new ATOM 790 N ASP A 55 3.191 6.423 3.754 1.00 0.00 N ATOM 791 CA ASP A 55 2.946 5.754 5.026 1.00 0.00 C ATOM 792 C ASP A 55 3.249 4.260 4.915 1.00 0.00 C ATOM 793 O ASP A 55 2.955 3.638 3.896 1.00 0.00 O ATOM 794 CB ASP A 55 1.491 5.964 5.456 1.00 0.00 C ATOM 795 CG ASP A 55 1.243 5.553 6.895 1.00 0.00 C ATOM 796 OD1 ASP A 55 1.456 6.391 7.797 1.00 0.00 O ATOM 797 OD2 ASP A 55 0.836 4.395 7.119 1.00 0.00 O ATOM 0 H ASP A 55 3.037 5.834 2.936 1.00 0.00 H new ATOM 0 HA ASP A 55 3.607 6.186 5.778 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.227 7.014 5.331 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.836 5.391 4.800 1.00 0.00 H new ATOM 802 N ARG A 56 3.813 3.683 5.974 1.00 0.00 N ATOM 803 CA ARG A 56 4.128 2.256 5.982 1.00 0.00 C ATOM 804 C ARG A 56 2.979 1.485 6.621 1.00 0.00 C ATOM 805 O ARG A 56 2.563 1.785 7.742 1.00 0.00 O ATOM 806 CB ARG A 56 5.426 1.983 6.750 1.00 0.00 C ATOM 807 CG ARG A 56 5.697 0.501 6.980 1.00 0.00 C ATOM 808 CD ARG A 56 7.126 0.257 7.449 1.00 0.00 C ATOM 809 NE ARG A 56 7.888 -0.562 6.503 1.00 0.00 N ATOM 810 CZ ARG A 56 9.123 -1.020 6.736 1.00 0.00 C ATOM 811 NH1 ARG A 56 9.746 -0.737 7.877 1.00 0.00 N ATOM 812 NH2 ARG A 56 9.740 -1.759 5.821 1.00 0.00 N ATOM 0 H ARG A 56 4.060 4.177 6.832 1.00 0.00 H new ATOM 0 HA ARG A 56 4.266 1.927 4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.262 2.416 6.200 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.382 2.490 7.714 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.999 0.114 7.722 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.518 -0.050 6.057 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.630 1.214 7.586 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.108 -0.236 8.421 1.00 0.00 H new ATOM 0 HE ARG A 56 7.450 -0.797 5.612 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.282 -0.166 8.583 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.688 -1.091 8.045 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.272 -1.977 4.941 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.682 -2.109 5.998 1.00 0.00 H new ATOM 826 N VAL A 57 2.458 0.508 5.889 1.00 0.00 N ATOM 827 CA VAL A 57 1.337 -0.296 6.362 1.00 0.00 C ATOM 828 C VAL A 57 1.539 -1.779 6.061 1.00 0.00 C ATOM 829 O VAL A 57 2.434 -2.152 5.304 1.00 0.00 O ATOM 830 CB VAL A 57 0.014 0.178 5.729 1.00 0.00 C ATOM 831 CG1 VAL A 57 -0.345 1.571 6.226 1.00 0.00 C ATOM 832 CG2 VAL A 57 0.106 0.156 4.210 1.00 0.00 C ATOM 0 H VAL A 57 2.796 0.252 4.961 1.00 0.00 H new ATOM 0 HA VAL A 57 1.288 -0.165 7.443 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.777 -0.509 6.031 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.282 1.890 5.769 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.458 1.553 7.310 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.447 2.269 5.955 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.838 0.494 3.783 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.909 0.818 3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.314 -0.860 3.873 1.00 0.00 H new ATOM 842 N LYS A 58 0.699 -2.618 6.661 1.00 0.00 N ATOM 843 CA LYS A 58 0.773 -4.064 6.457 1.00 0.00 C ATOM 844 C LYS A 58 -0.341 -4.532 5.522 1.00 0.00 C ATOM 845 O LYS A 58 -1.467 -4.032 5.585 1.00 0.00 O ATOM 846 CB LYS A 58 0.676 -4.801 7.795 1.00 0.00 C ATOM 847 CG LYS A 58 -0.318 -4.179 8.765 1.00 0.00 C ATOM 848 CD LYS A 58 -0.377 -4.947 10.077 1.00 0.00 C ATOM 849 CE LYS A 58 0.986 -4.998 10.753 1.00 0.00 C ATOM 850 NZ LYS A 58 0.880 -4.959 12.240 1.00 0.00 N ATOM 0 H LYS A 58 -0.043 -2.321 7.294 1.00 0.00 H new ATOM 0 HA LYS A 58 1.735 -4.293 5.999 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.390 -5.836 7.610 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.661 -4.821 8.261 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.037 -3.144 8.961 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.308 -4.160 8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.098 -4.475 10.744 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.731 -5.961 9.891 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.505 -5.908 10.451 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.591 -4.158 10.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.832 -4.996 12.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.408 -4.079 12.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.326 -5.775 12.570 1.00 0.00 H new ATOM 864 N VAL A 59 -0.019 -5.486 4.650 1.00 0.00 N ATOM 865 CA VAL A 59 -0.990 -6.016 3.695 1.00 0.00 C ATOM 866 C VAL A 59 -0.862 -7.532 3.554 1.00 0.00 C ATOM 867 O VAL A 59 0.242 -8.072 3.566 1.00 0.00 O ATOM 868 CB VAL A 59 -0.819 -5.374 2.300 1.00 0.00 C ATOM 869 CG1 VAL A 59 -1.933 -5.814 1.365 1.00 0.00 C ATOM 870 CG2 VAL A 59 -0.775 -3.855 2.400 1.00 0.00 C ATOM 0 H VAL A 59 0.907 -5.908 4.585 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.977 -5.770 4.087 1.00 0.00 H new ATOM 0 HB VAL A 59 0.131 -5.715 1.888 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.793 -5.350 0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.911 -6.899 1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.895 -5.509 1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.654 -3.428 1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.704 -3.492 2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.065 -3.556 3.027 1.00 0.00 H new ATOM 880 N LEU A 60 -1.999 -8.210 3.412 1.00 0.00 N ATOM 881 CA LEU A 60 -2.014 -9.661 3.253 1.00 0.00 C ATOM 882 C LEU A 60 -2.068 -10.039 1.771 1.00 0.00 C ATOM 883 O LEU A 60 -2.827 -9.447 1.002 1.00 0.00 O ATOM 884 CB LEU A 60 -3.210 -10.266 3.996 1.00 0.00 C ATOM 885 CG LEU A 60 -2.887 -10.838 5.380 1.00 0.00 C ATOM 886 CD1 LEU A 60 -3.988 -10.500 6.376 1.00 0.00 C ATOM 887 CD2 LEU A 60 -2.678 -12.344 5.301 1.00 0.00 C ATOM 0 H LEU A 60 -2.922 -7.777 3.404 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.095 -10.063 3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.977 -9.499 4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.638 -11.059 3.382 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.962 -10.381 5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.737 -10.916 7.351 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.085 -9.417 6.458 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.932 -10.924 6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.450 -12.732 6.294 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.585 -12.818 4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.850 -12.561 4.627 1.00 0.00 H new ATOM 899 N ARG A 61 -1.254 -11.024 1.379 1.00 0.00 N ATOM 900 CA ARG A 61 -1.204 -11.483 -0.013 1.00 0.00 C ATOM 901 C ARG A 61 -2.573 -11.989 -0.478 1.00 0.00 C ATOM 902 O ARG A 61 -3.189 -12.830 0.183 1.00 0.00 O ATOM 903 CB ARG A 61 -0.156 -12.590 -0.173 1.00 0.00 C ATOM 904 CG ARG A 61 0.636 -12.500 -1.468 1.00 0.00 C ATOM 905 CD ARG A 61 1.386 -13.792 -1.759 1.00 0.00 C ATOM 906 NE ARG A 61 0.480 -14.898 -2.082 1.00 0.00 N ATOM 907 CZ ARG A 61 0.852 -16.009 -2.727 1.00 0.00 C ATOM 908 NH1 ARG A 61 2.117 -16.186 -3.102 1.00 0.00 N ATOM 909 NH2 ARG A 61 -0.046 -16.953 -2.990 1.00 0.00 N ATOM 0 H ARG A 61 -0.620 -11.519 2.006 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.923 -10.633 -0.635 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.535 -12.548 0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.654 -13.559 -0.129 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.040 -12.278 -2.294 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.344 -11.674 -1.405 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.072 -13.632 -2.591 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.991 -14.061 -0.893 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.496 -14.815 -1.797 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.814 -15.470 -2.898 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.389 -17.038 -3.593 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.016 -16.829 -2.700 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.235 -17.801 -3.482 1.00 0.00 H new ATOM 923 N LEU A 62 -3.039 -11.469 -1.619 1.00 0.00 N ATOM 924 CA LEU A 62 -4.335 -11.853 -2.185 1.00 0.00 C ATOM 925 C LEU A 62 -5.471 -11.587 -1.192 1.00 0.00 C ATOM 926 O LEU A 62 -5.251 -11.004 -0.129 1.00 0.00 O ATOM 927 CB LEU A 62 -4.325 -13.331 -2.599 1.00 0.00 C ATOM 928 CG LEU A 62 -3.622 -13.628 -3.928 1.00 0.00 C ATOM 929 CD1 LEU A 62 -2.435 -14.554 -3.708 1.00 0.00 C ATOM 930 CD2 LEU A 62 -4.600 -14.235 -4.927 1.00 0.00 C ATOM 0 H LEU A 62 -2.533 -10.776 -2.171 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.508 -11.242 -3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.841 -13.910 -1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.355 -13.681 -2.664 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.252 -12.689 -4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.948 -14.754 -4.662 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.725 -14.080 -3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.781 -15.492 -3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.083 -14.439 -5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.001 -15.165 -4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.416 -13.536 -5.108 1.00 0.00 H new ATOM 942 N ILE A 63 -6.687 -12.013 -1.546 1.00 0.00 N ATOM 943 CA ILE A 63 -7.848 -11.817 -0.680 1.00 0.00 C ATOM 944 C ILE A 63 -8.529 -13.145 -0.360 1.00 0.00 C ATOM 945 O ILE A 63 -8.401 -14.115 -1.110 1.00 0.00 O ATOM 946 CB ILE A 63 -8.883 -10.851 -1.304 1.00 0.00 C ATOM 947 CG1 ILE A 63 -9.416 -11.397 -2.634 1.00 0.00 C ATOM 948 CG2 ILE A 63 -8.273 -9.467 -1.493 1.00 0.00 C ATOM 949 CD1 ILE A 63 -10.617 -12.308 -2.480 1.00 0.00 C ATOM 0 H ILE A 63 -6.890 -12.493 -2.423 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.472 -11.372 0.241 1.00 0.00 H new ATOM 0 HB ILE A 63 -9.725 -10.766 -0.617 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.686 -10.560 -3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.619 -11.943 -3.138 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.014 -8.800 -1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.958 -9.073 -0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.410 -9.537 -2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.938 -12.655 -3.462 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -10.347 -13.165 -1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -11.431 -11.760 -2.005 1.00 0.00 H new ATOM 961 N LYS A 64 -9.255 -13.181 0.759 1.00 0.00 N ATOM 962 CA LYS A 64 -9.958 -14.392 1.180 1.00 0.00 C ATOM 963 C LYS A 64 -11.237 -14.596 0.372 1.00 0.00 C ATOM 964 O LYS A 64 -11.978 -13.645 0.114 1.00 0.00 O ATOM 965 CB LYS A 64 -10.286 -14.340 2.677 1.00 0.00 C ATOM 966 CG LYS A 64 -11.029 -13.080 3.104 1.00 0.00 C ATOM 967 CD LYS A 64 -12.116 -13.388 4.125 1.00 0.00 C ATOM 968 CE LYS A 64 -11.619 -13.195 5.550 1.00 0.00 C ATOM 969 NZ LYS A 64 -11.155 -14.473 6.160 1.00 0.00 N ATOM 0 H LYS A 64 -9.371 -12.387 1.388 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.295 -15.238 0.995 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.888 -15.211 2.937 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.358 -14.413 3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.322 -12.367 3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.474 -12.606 2.229 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.975 -12.741 3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.458 -14.415 3.994 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.801 -12.474 5.554 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.419 -12.773 6.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.825 -14.295 7.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.941 -15.153 6.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.374 -14.864 5.595 1.00 0.00 H new ATOM 983 N GLY A 65 -11.489 -15.846 -0.022 1.00 0.00 N ATOM 984 CA GLY A 65 -12.678 -16.162 -0.795 1.00 0.00 C ATOM 985 C GLY A 65 -13.959 -15.971 0.000 1.00 0.00 C ATOM 986 O GLY A 65 -14.314 -16.814 0.828 1.00 0.00 O ATOM 0 H GLY A 65 -10.888 -16.645 0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.708 -15.531 -1.683 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.619 -17.194 -1.140 1.00 0.00 H new ATOM 990 N GLY A 66 -14.652 -14.860 -0.255 1.00 0.00 N ATOM 991 CA GLY A 66 -15.895 -14.571 0.443 1.00 0.00 C ATOM 992 C GLY A 66 -17.130 -14.927 -0.370 1.00 0.00 C ATOM 993 O GLY A 66 -16.988 -15.585 -1.425 1.00 0.00 O ATOM 0 H GLY A 66 -14.372 -14.153 -0.935 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -15.914 -15.123 1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.926 -13.511 0.695 1.00 0.00 H new TER 997 GLY A 66