USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 423 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 17 TYR OH : rot 165:sc= 0.127 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -169:sc= -0.0101 (180deg=-0.523) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -99:sc= 0.93 USER MOD Single : A 12 ASN : amide:sc= 0.926 K(o=0.93,f=-13!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.1) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0.00806 X(o=0.0081,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 9.186 -4.418 2.416 1.00 52.14 N ATOM 21 CA ILE A 2 8.041 -4.138 1.558 1.00 21.52 C ATOM 22 C ILE A 2 8.418 -4.384 0.101 1.00 70.01 C ATOM 23 O ILE A 2 9.545 -4.105 -0.308 1.00 32.20 O ATOM 24 CB ILE A 2 7.537 -2.681 1.720 1.00 43.42 C ATOM 25 CG1 ILE A 2 7.215 -2.389 3.192 1.00 3.33 C ATOM 26 CG2 ILE A 2 6.304 -2.434 0.853 1.00 63.12 C ATOM 27 CD1 ILE A 2 6.748 -0.973 3.455 1.00 52.31 C ATOM 0 HA ILE A 2 7.234 -4.807 1.857 1.00 21.52 H new ATOM 0 HB ILE A 2 8.329 -2.008 1.392 1.00 43.42 H new ATOM 0 HG12 ILE A 2 6.444 -3.082 3.528 1.00 3.33 H new ATOM 0 HG13 ILE A 2 8.103 -2.584 3.793 1.00 3.33 H new ATOM 0 HG21 ILE A 2 5.968 -1.405 0.983 1.00 63.12 H new ATOM 0 HG22 ILE A 2 6.555 -2.604 -0.194 1.00 63.12 H new ATOM 0 HG23 ILE A 2 5.508 -3.116 1.150 1.00 63.12 H new ATOM 0 HD11 ILE A 2 6.542 -0.849 4.518 1.00 52.31 H new ATOM 0 HD12 ILE A 2 7.525 -0.271 3.152 1.00 52.31 H new ATOM 0 HD13 ILE A 2 5.840 -0.777 2.884 1.00 52.31 H new ATOM 39 N PHE A 3 7.477 -4.914 -0.668 1.00 20.50 N ATOM 40 CA PHE A 3 7.716 -5.230 -2.071 1.00 34.30 C ATOM 41 C PHE A 3 6.617 -4.638 -2.947 1.00 22.52 C ATOM 42 O PHE A 3 5.467 -4.515 -2.514 1.00 2.41 O ATOM 43 CB PHE A 3 7.777 -6.748 -2.287 1.00 50.54 C ATOM 44 CG PHE A 3 8.904 -7.427 -1.564 1.00 33.33 C ATOM 45 CD1 PHE A 3 10.205 -7.333 -2.038 1.00 30.14 C ATOM 46 CD2 PHE A 3 8.663 -8.165 -0.418 1.00 51.11 C ATOM 47 CE1 PHE A 3 11.243 -7.962 -1.379 1.00 20.21 C ATOM 48 CE2 PHE A 3 9.698 -8.796 0.244 1.00 14.34 C ATOM 49 CZ PHE A 3 10.990 -8.694 -0.236 1.00 1.11 C ATOM 0 H PHE A 3 6.536 -5.135 -0.343 1.00 20.50 H new ATOM 0 HA PHE A 3 8.675 -4.794 -2.352 1.00 34.30 H new ATOM 0 HB2 PHE A 3 6.834 -7.188 -1.962 1.00 50.54 H new ATOM 0 HB3 PHE A 3 7.872 -6.948 -3.354 1.00 50.54 H new ATOM 0 HD1 PHE A 3 10.408 -6.762 -2.932 1.00 30.14 H new ATOM 0 HD2 PHE A 3 7.656 -8.248 -0.038 1.00 51.11 H new ATOM 0 HE1 PHE A 3 12.251 -7.881 -1.757 1.00 20.21 H new ATOM 0 HE2 PHE A 3 9.498 -9.369 1.137 1.00 14.34 H new ATOM 0 HZ PHE A 3 11.800 -9.186 0.282 1.00 1.11 H new ATOM 59 N PRO A 4 6.960 -4.245 -4.184 1.00 24.33 N ATOM 60 CA PRO A 4 5.981 -3.759 -5.157 1.00 73.12 C ATOM 61 C PRO A 4 4.938 -4.826 -5.470 1.00 4.14 C ATOM 62 O PRO A 4 5.279 -5.971 -5.780 1.00 34.32 O ATOM 63 CB PRO A 4 6.819 -3.446 -6.402 1.00 44.31 C ATOM 64 CG PRO A 4 8.217 -3.308 -5.904 1.00 44.32 C ATOM 65 CD PRO A 4 8.328 -4.242 -4.731 1.00 23.22 C ATOM 0 HA PRO A 4 5.427 -2.896 -4.789 1.00 73.12 H new ATOM 0 HB2 PRO A 4 6.741 -4.244 -7.141 1.00 44.31 H new ATOM 0 HB3 PRO A 4 6.480 -2.530 -6.885 1.00 44.31 H new ATOM 0 HG2 PRO A 4 8.936 -3.568 -6.681 1.00 44.32 H new ATOM 0 HG3 PRO A 4 8.427 -2.280 -5.607 1.00 44.32 H new ATOM 0 HD2 PRO A 4 8.643 -5.240 -5.037 1.00 23.22 H new ATOM 0 HD3 PRO A 4 9.055 -3.888 -4.000 1.00 23.22 H new ATOM 73 N GLY A 5 3.672 -4.446 -5.390 1.00 35.51 N ATOM 74 CA GLY A 5 2.593 -5.395 -5.570 1.00 50.44 C ATOM 75 C GLY A 5 1.831 -5.632 -4.283 1.00 22.51 C ATOM 76 O GLY A 5 0.803 -6.310 -4.276 1.00 61.53 O ATOM 0 H GLY A 5 3.371 -3.490 -5.202 1.00 35.51 H new ATOM 0 HA2 GLY A 5 1.909 -5.027 -6.335 1.00 50.44 H new ATOM 0 HA3 GLY A 5 2.997 -6.340 -5.932 1.00 50.44 H new ATOM 80 N ALA A 6 2.338 -5.076 -3.192 1.00 24.23 N ATOM 81 CA ALA A 6 1.674 -5.191 -1.904 1.00 64.44 C ATOM 82 C ALA A 6 0.690 -4.044 -1.703 1.00 33.14 C ATOM 83 O ALA A 6 0.913 -2.933 -2.189 1.00 4.02 O ATOM 84 CB ALA A 6 2.697 -5.210 -0.781 1.00 55.15 C ATOM 0 H ALA A 6 3.206 -4.541 -3.174 1.00 24.23 H new ATOM 0 HA ALA A 6 1.119 -6.129 -1.887 1.00 64.44 H new ATOM 0 HB1 ALA A 6 2.184 -5.296 0.177 1.00 55.15 H new ATOM 0 HB2 ALA A 6 3.366 -6.060 -0.913 1.00 55.15 H new ATOM 0 HB3 ALA A 6 3.276 -4.287 -0.801 1.00 55.15 H new ATOM 90 N THR A 7 -0.399 -4.320 -1.000 1.00 44.13 N ATOM 91 CA THR A 7 -1.407 -3.309 -0.719 1.00 75.35 C ATOM 92 C THR A 7 -1.078 -2.577 0.578 1.00 30.41 C ATOM 93 O THR A 7 -0.765 -3.202 1.592 1.00 21.40 O ATOM 94 CB THR A 7 -2.803 -3.949 -0.612 1.00 41.00 C ATOM 95 OG1 THR A 7 -2.998 -4.858 -1.704 1.00 42.42 O ATOM 96 CG2 THR A 7 -3.896 -2.892 -0.632 1.00 40.02 C ATOM 0 H THR A 7 -0.607 -5.240 -0.612 1.00 44.13 H new ATOM 0 HA THR A 7 -1.409 -2.595 -1.542 1.00 75.35 H new ATOM 0 HB THR A 7 -2.861 -4.485 0.336 1.00 41.00 H new ATOM 0 HG1 THR A 7 -3.886 -5.267 -1.635 1.00 42.42 H new ATOM 0 HG21 THR A 7 -4.870 -3.375 -0.555 1.00 40.02 H new ATOM 0 HG22 THR A 7 -3.760 -2.212 0.209 1.00 40.02 H new ATOM 0 HG23 THR A 7 -3.842 -2.330 -1.565 1.00 40.02 H new ATOM 104 N VAL A 8 -1.147 -1.257 0.541 1.00 40.04 N ATOM 105 CA VAL A 8 -0.777 -0.443 1.684 1.00 32.32 C ATOM 106 C VAL A 8 -1.813 0.637 1.960 1.00 51.52 C ATOM 107 O VAL A 8 -2.481 1.123 1.045 1.00 34.42 O ATOM 108 CB VAL A 8 0.600 0.221 1.478 1.00 52.43 C ATOM 109 CG1 VAL A 8 1.718 -0.810 1.575 1.00 73.13 C ATOM 110 CG2 VAL A 8 0.648 0.946 0.138 1.00 70.02 C ATOM 0 H VAL A 8 -1.457 -0.725 -0.272 1.00 40.04 H new ATOM 0 HA VAL A 8 -0.727 -1.114 2.541 1.00 32.32 H new ATOM 0 HB VAL A 8 0.748 0.955 2.270 1.00 52.43 H new ATOM 0 HG11 VAL A 8 2.680 -0.319 1.426 1.00 73.13 H new ATOM 0 HG12 VAL A 8 1.697 -1.277 2.559 1.00 73.13 H new ATOM 0 HG13 VAL A 8 1.578 -1.572 0.808 1.00 73.13 H new ATOM 0 HG21 VAL A 8 1.627 1.409 0.009 1.00 70.02 H new ATOM 0 HG22 VAL A 8 0.475 0.233 -0.668 1.00 70.02 H new ATOM 0 HG23 VAL A 8 -0.123 1.716 0.113 1.00 70.02 H new ATOM 120 N ARG A 9 -1.948 0.995 3.228 1.00 4.42 N ATOM 121 CA ARG A 9 -2.850 2.062 3.635 1.00 34.10 C ATOM 122 C ARG A 9 -2.048 3.219 4.213 1.00 14.31 C ATOM 123 O ARG A 9 -1.116 3.002 4.987 1.00 2.22 O ATOM 124 CB ARG A 9 -3.857 1.547 4.674 1.00 22.23 C ATOM 125 CG ARG A 9 -4.893 2.583 5.088 1.00 43.24 C ATOM 126 CD ARG A 9 -5.947 1.992 6.018 1.00 24.03 C ATOM 127 NE ARG A 9 -5.398 1.609 7.319 1.00 32.22 N ATOM 128 CZ ARG A 9 -6.102 1.008 8.282 1.00 1.14 C ATOM 129 NH1 ARG A 9 -7.373 0.673 8.077 1.00 1.13 N ATOM 130 NH2 ARG A 9 -5.522 0.726 9.440 1.00 33.20 N ATOM 0 H ARG A 9 -1.440 0.559 3.998 1.00 4.42 H new ATOM 0 HA ARG A 9 -3.402 2.409 2.762 1.00 34.10 H new ATOM 0 HB2 ARG A 9 -4.370 0.675 4.269 1.00 22.23 H new ATOM 0 HB3 ARG A 9 -3.315 1.215 5.559 1.00 22.23 H new ATOM 0 HG2 ARG A 9 -4.395 3.415 5.586 1.00 43.24 H new ATOM 0 HG3 ARG A 9 -5.378 2.987 4.199 1.00 43.24 H new ATOM 0 HD2 ARG A 9 -6.746 2.719 6.165 1.00 24.03 H new ATOM 0 HD3 ARG A 9 -6.395 1.118 5.545 1.00 24.03 H new ATOM 0 HE ARG A 9 -4.416 1.814 7.502 1.00 32.22 H new ATOM 0 HH11 ARG A 9 -7.815 0.875 7.180 1.00 1.13 H new ATOM 0 HH12 ARG A 9 -7.905 0.214 8.816 1.00 1.13 H new ATOM 0 HH21 ARG A 9 -4.543 0.968 9.592 1.00 33.20 H new ATOM 0 HH22 ARG A 9 -6.055 0.267 10.179 1.00 33.20 H new ATOM 144 N VAL A 10 -2.395 4.440 3.825 1.00 13.24 N ATOM 145 CA VAL A 10 -1.711 5.622 4.337 1.00 64.14 C ATOM 146 C VAL A 10 -2.159 5.903 5.767 1.00 21.31 C ATOM 147 O VAL A 10 -3.279 6.363 5.998 1.00 31.21 O ATOM 148 CB VAL A 10 -1.981 6.863 3.459 1.00 21.24 C ATOM 149 CG1 VAL A 10 -1.190 8.064 3.963 1.00 14.33 C ATOM 150 CG2 VAL A 10 -1.644 6.572 2.004 1.00 62.40 C ATOM 0 H VAL A 10 -3.143 4.638 3.160 1.00 13.24 H new ATOM 0 HA VAL A 10 -0.640 5.419 4.316 1.00 64.14 H new ATOM 0 HB VAL A 10 -3.042 7.103 3.525 1.00 21.24 H new ATOM 0 HG11 VAL A 10 -1.396 8.927 3.330 1.00 14.33 H new ATOM 0 HG12 VAL A 10 -1.483 8.289 4.988 1.00 14.33 H new ATOM 0 HG13 VAL A 10 -0.124 7.837 3.932 1.00 14.33 H new ATOM 0 HG21 VAL A 10 -1.841 7.458 1.401 1.00 62.40 H new ATOM 0 HG22 VAL A 10 -0.591 6.303 1.921 1.00 62.40 H new ATOM 0 HG23 VAL A 10 -2.259 5.746 1.646 1.00 62.40 H new ATOM 160 N THR A 11 -1.292 5.617 6.725 1.00 30.13 N ATOM 161 CA THR A 11 -1.648 5.740 8.131 1.00 63.03 C ATOM 162 C THR A 11 -1.313 7.130 8.674 1.00 53.50 C ATOM 163 O THR A 11 -1.643 7.457 9.815 1.00 50.54 O ATOM 164 CB THR A 11 -0.930 4.666 8.966 1.00 13.31 C ATOM 165 OG1 THR A 11 -0.917 3.431 8.242 1.00 25.04 O ATOM 166 CG2 THR A 11 -1.626 4.452 10.301 1.00 4.31 C ATOM 0 H THR A 11 -0.338 5.298 6.556 1.00 30.13 H new ATOM 0 HA THR A 11 -2.725 5.594 8.210 1.00 63.03 H new ATOM 0 HB THR A 11 0.088 5.005 9.156 1.00 13.31 H new ATOM 0 HG1 THR A 11 -1.637 2.853 8.569 1.00 25.04 H new ATOM 0 HG21 THR A 11 -1.096 3.687 10.869 1.00 4.31 H new ATOM 0 HG22 THR A 11 -1.629 5.386 10.864 1.00 4.31 H new ATOM 0 HG23 THR A 11 -2.653 4.129 10.128 1.00 4.31 H new ATOM 174 N ASN A 12 -0.658 7.948 7.858 1.00 73.21 N ATOM 175 CA ASN A 12 -0.355 9.323 8.249 1.00 10.35 C ATOM 176 C ASN A 12 -1.657 10.106 8.390 1.00 2.43 C ATOM 177 O ASN A 12 -2.329 10.385 7.400 1.00 72.13 O ATOM 178 CB ASN A 12 0.559 10.004 7.220 1.00 32.14 C ATOM 179 CG ASN A 12 1.048 11.375 7.681 1.00 73.34 C ATOM 180 OD1 ASN A 12 0.410 12.038 8.498 1.00 3.32 O ATOM 181 ND2 ASN A 12 2.176 11.817 7.152 1.00 14.42 N ATOM 0 H ASN A 12 -0.328 7.688 6.929 1.00 73.21 H new ATOM 0 HA ASN A 12 0.171 9.305 9.204 1.00 10.35 H new ATOM 0 HB2 ASN A 12 1.419 9.363 7.024 1.00 32.14 H new ATOM 0 HB3 ASN A 12 0.021 10.113 6.278 1.00 32.14 H new ATOM 0 HD21 ASN A 12 2.540 12.732 7.419 1.00 14.42 H new ATOM 0 HD22 ASN A 12 2.682 11.243 6.477 1.00 14.42 H new ATOM 188 N VAL A 13 -1.997 10.474 9.622 1.00 54.32 N ATOM 189 CA VAL A 13 -3.284 11.104 9.915 1.00 11.12 C ATOM 190 C VAL A 13 -3.253 12.597 9.582 1.00 44.44 C ATOM 191 O VAL A 13 -4.244 13.310 9.740 1.00 5.33 O ATOM 192 CB VAL A 13 -3.668 10.916 11.401 1.00 22.41 C ATOM 193 CG1 VAL A 13 -5.155 11.157 11.619 1.00 31.33 C ATOM 194 CG2 VAL A 13 -3.270 9.530 11.896 1.00 44.43 C ATOM 0 H VAL A 13 -1.398 10.347 10.437 1.00 54.32 H new ATOM 0 HA VAL A 13 -4.033 10.617 9.291 1.00 11.12 H new ATOM 0 HB VAL A 13 -3.118 11.657 11.981 1.00 22.41 H new ATOM 0 HG11 VAL A 13 -5.396 11.018 12.673 1.00 31.33 H new ATOM 0 HG12 VAL A 13 -5.406 12.175 11.321 1.00 31.33 H new ATOM 0 HG13 VAL A 13 -5.730 10.451 11.019 1.00 31.33 H new ATOM 0 HG21 VAL A 13 -3.551 9.423 12.944 1.00 44.43 H new ATOM 0 HG22 VAL A 13 -3.782 8.771 11.304 1.00 44.43 H new ATOM 0 HG23 VAL A 13 -2.192 9.403 11.795 1.00 44.43 H new ATOM 204 N ASP A 14 -2.106 13.064 9.124 1.00 73.21 N ATOM 205 CA ASP A 14 -1.934 14.462 8.757 1.00 61.14 C ATOM 206 C ASP A 14 -2.006 14.634 7.244 1.00 31.42 C ATOM 207 O ASP A 14 -2.340 15.711 6.745 1.00 52.34 O ATOM 208 CB ASP A 14 -0.583 14.968 9.274 1.00 3.44 C ATOM 209 CG ASP A 14 -0.267 16.379 8.822 1.00 31.44 C ATOM 210 OD1 ASP A 14 -0.742 17.335 9.471 1.00 1.12 O ATOM 211 OD2 ASP A 14 0.473 16.539 7.826 1.00 20.01 O ATOM 0 H ASP A 14 -1.272 12.492 8.996 1.00 73.21 H new ATOM 0 HA ASP A 14 -2.738 15.043 9.209 1.00 61.14 H new ATOM 0 HB2 ASP A 14 -0.581 14.932 10.363 1.00 3.44 H new ATOM 0 HB3 ASP A 14 0.205 14.298 8.931 1.00 3.44 H new ATOM 216 N ASP A 15 -1.731 13.554 6.525 1.00 14.43 N ATOM 217 CA ASP A 15 -1.562 13.618 5.078 1.00 33.14 C ATOM 218 C ASP A 15 -2.896 13.781 4.354 1.00 45.12 C ATOM 219 O ASP A 15 -3.961 13.457 4.884 1.00 34.50 O ATOM 220 CB ASP A 15 -0.836 12.370 4.564 1.00 41.53 C ATOM 221 CG ASP A 15 -0.411 12.508 3.113 1.00 2.00 C ATOM 222 OD1 ASP A 15 0.696 13.033 2.860 1.00 72.43 O ATOM 223 OD2 ASP A 15 -1.188 12.117 2.221 1.00 22.31 O ATOM 0 H ASP A 15 -1.620 12.620 6.921 1.00 14.43 H new ATOM 0 HA ASP A 15 -0.957 14.499 4.864 1.00 33.14 H new ATOM 0 HB2 ASP A 15 0.043 12.183 5.182 1.00 41.53 H new ATOM 0 HB3 ASP A 15 -1.489 11.504 4.668 1.00 41.53 H new ATOM 228 N THR A 16 -2.812 14.292 3.135 1.00 41.45 N ATOM 229 CA THR A 16 -3.964 14.519 2.283 1.00 31.53 C ATOM 230 C THR A 16 -4.641 13.200 1.887 1.00 4.04 C ATOM 231 O THR A 16 -5.864 13.137 1.726 1.00 72.12 O ATOM 232 CB THR A 16 -3.517 15.280 1.016 1.00 40.14 C ATOM 233 OG1 THR A 16 -2.795 16.461 1.400 1.00 44.54 O ATOM 234 CG2 THR A 16 -4.701 15.671 0.147 1.00 72.12 C ATOM 0 H THR A 16 -1.928 14.564 2.706 1.00 41.45 H new ATOM 0 HA THR A 16 -4.691 15.111 2.839 1.00 31.53 H new ATOM 0 HB THR A 16 -2.878 14.617 0.433 1.00 40.14 H new ATOM 0 HG1 THR A 16 -2.509 16.945 0.597 1.00 44.54 H new ATOM 0 HG21 THR A 16 -4.345 16.204 -0.734 1.00 72.12 H new ATOM 0 HG22 THR A 16 -5.236 14.774 -0.163 1.00 72.12 H new ATOM 0 HG23 THR A 16 -5.372 16.316 0.715 1.00 72.12 H new ATOM 242 N TYR A 17 -3.843 12.148 1.748 1.00 14.14 N ATOM 243 CA TYR A 17 -4.349 10.846 1.332 1.00 63.33 C ATOM 244 C TYR A 17 -4.499 9.903 2.526 1.00 64.02 C ATOM 245 O TYR A 17 -4.384 8.686 2.379 1.00 44.00 O ATOM 246 CB TYR A 17 -3.421 10.222 0.283 1.00 13.05 C ATOM 247 CG TYR A 17 -3.412 10.943 -1.050 1.00 52.21 C ATOM 248 CD1 TYR A 17 -4.417 10.725 -1.987 1.00 3.21 C ATOM 249 CD2 TYR A 17 -2.393 11.829 -1.378 1.00 1.12 C ATOM 250 CE1 TYR A 17 -4.406 11.369 -3.210 1.00 64.21 C ATOM 251 CE2 TYR A 17 -2.378 12.480 -2.598 1.00 63.03 C ATOM 252 CZ TYR A 17 -3.386 12.246 -3.512 1.00 2.23 C ATOM 253 OH TYR A 17 -3.371 12.887 -4.733 1.00 4.42 O ATOM 0 H TYR A 17 -2.838 12.172 1.918 1.00 14.14 H new ATOM 0 HA TYR A 17 -5.334 10.996 0.891 1.00 63.33 H new ATOM 0 HB2 TYR A 17 -2.406 10.202 0.679 1.00 13.05 H new ATOM 0 HB3 TYR A 17 -3.720 9.186 0.121 1.00 13.05 H new ATOM 0 HD1 TYR A 17 -5.220 10.041 -1.755 1.00 3.21 H new ATOM 0 HD2 TYR A 17 -1.600 12.012 -0.668 1.00 1.12 H new ATOM 0 HE1 TYR A 17 -5.193 11.186 -3.926 1.00 64.21 H new ATOM 0 HE2 TYR A 17 -1.581 13.169 -2.835 1.00 63.03 H new ATOM 0 HH TYR A 17 -2.737 13.634 -4.703 1.00 4.42 H new ATOM 263 N TYR A 18 -4.783 10.466 3.697 1.00 61.22 N ATOM 264 CA TYR A 18 -4.960 9.673 4.912 1.00 65.21 C ATOM 265 C TYR A 18 -6.029 8.593 4.732 1.00 33.12 C ATOM 266 O TYR A 18 -7.071 8.830 4.119 1.00 62.13 O ATOM 267 CB TYR A 18 -5.325 10.572 6.103 1.00 1.31 C ATOM 268 CG TYR A 18 -5.761 9.798 7.334 1.00 64.41 C ATOM 269 CD1 TYR A 18 -4.934 8.836 7.906 1.00 45.13 C ATOM 270 CD2 TYR A 18 -7.011 10.009 7.907 1.00 14.32 C ATOM 271 CE1 TYR A 18 -5.337 8.111 9.009 1.00 61.32 C ATOM 272 CE2 TYR A 18 -7.421 9.284 9.008 1.00 32.23 C ATOM 273 CZ TYR A 18 -6.580 8.338 9.556 1.00 75.54 C ATOM 274 OH TYR A 18 -6.990 7.604 10.646 1.00 24.24 O ATOM 0 H TYR A 18 -4.896 11.471 3.831 1.00 61.22 H new ATOM 0 HA TYR A 18 -4.009 9.181 5.115 1.00 65.21 H new ATOM 0 HB2 TYR A 18 -4.465 11.191 6.358 1.00 1.31 H new ATOM 0 HB3 TYR A 18 -6.127 11.248 5.806 1.00 1.31 H new ATOM 0 HD1 TYR A 18 -3.959 8.653 7.479 1.00 45.13 H new ATOM 0 HD2 TYR A 18 -7.671 10.752 7.484 1.00 14.32 H new ATOM 0 HE1 TYR A 18 -4.681 7.370 9.441 1.00 61.32 H new ATOM 0 HE2 TYR A 18 -8.396 9.457 9.438 1.00 32.23 H new ATOM 0 HH TYR A 18 -7.890 7.887 10.911 1.00 24.24 H new ATOM 284 N ARG A 19 -5.718 7.407 5.262 1.00 4.22 N ATOM 285 CA ARG A 19 -6.604 6.232 5.293 1.00 51.14 C ATOM 286 C ARG A 19 -7.099 5.812 3.909 1.00 62.10 C ATOM 287 O ARG A 19 -8.069 5.059 3.791 1.00 11.11 O ATOM 288 CB ARG A 19 -7.778 6.400 6.282 1.00 2.41 C ATOM 289 CG ARG A 19 -8.836 7.423 5.898 1.00 43.12 C ATOM 290 CD ARG A 19 -9.944 7.469 6.933 1.00 64.02 C ATOM 291 NE ARG A 19 -10.851 8.594 6.720 1.00 70.21 N ATOM 292 CZ ARG A 19 -11.497 9.221 7.701 1.00 65.44 C ATOM 293 NH1 ARG A 19 -11.358 8.820 8.959 1.00 53.43 N ATOM 294 NH2 ARG A 19 -12.294 10.245 7.426 1.00 50.43 N ATOM 0 H ARG A 19 -4.813 7.229 5.697 1.00 4.22 H new ATOM 0 HA ARG A 19 -5.982 5.416 5.662 1.00 51.14 H new ATOM 0 HB2 ARG A 19 -8.265 5.432 6.404 1.00 2.41 H new ATOM 0 HB3 ARG A 19 -7.370 6.677 7.254 1.00 2.41 H new ATOM 0 HG2 ARG A 19 -8.379 8.408 5.805 1.00 43.12 H new ATOM 0 HG3 ARG A 19 -9.254 7.172 4.923 1.00 43.12 H new ATOM 0 HD2 ARG A 19 -10.509 6.537 6.900 1.00 64.02 H new ATOM 0 HD3 ARG A 19 -9.506 7.541 7.929 1.00 64.02 H new ATOM 0 HE ARG A 19 -10.998 8.918 5.764 1.00 70.21 H new ATOM 0 HH11 ARG A 19 -10.754 8.028 9.178 1.00 53.43 H new ATOM 0 HH12 ARG A 19 -11.855 9.304 9.706 1.00 53.43 H new ATOM 0 HH21 ARG A 19 -12.413 10.554 6.461 1.00 50.43 H new ATOM 0 HH22 ARG A 19 -12.788 10.724 8.179 1.00 50.43 H new ATOM 308 N PHE A 20 -6.417 6.269 2.867 1.00 55.12 N ATOM 309 CA PHE A 20 -6.627 5.725 1.541 1.00 72.12 C ATOM 310 C PHE A 20 -5.759 4.490 1.376 1.00 63.45 C ATOM 311 O PHE A 20 -4.699 4.375 2.000 1.00 4.51 O ATOM 312 CB PHE A 20 -6.301 6.748 0.452 1.00 73.30 C ATOM 313 CG PHE A 20 -7.373 7.779 0.240 1.00 3.43 C ATOM 314 CD1 PHE A 20 -8.427 7.527 -0.625 1.00 41.11 C ATOM 315 CD2 PHE A 20 -7.327 8.997 0.894 1.00 74.42 C ATOM 316 CE1 PHE A 20 -9.415 8.472 -0.830 1.00 3.22 C ATOM 317 CE2 PHE A 20 -8.310 9.947 0.692 1.00 61.30 C ATOM 318 CZ PHE A 20 -9.356 9.684 -0.171 1.00 31.44 C ATOM 0 H PHE A 20 -5.719 7.011 2.918 1.00 55.12 H new ATOM 0 HA PHE A 20 -7.680 5.463 1.434 1.00 72.12 H new ATOM 0 HB2 PHE A 20 -5.371 7.254 0.710 1.00 73.30 H new ATOM 0 HB3 PHE A 20 -6.127 6.221 -0.486 1.00 73.30 H new ATOM 0 HD1 PHE A 20 -8.477 6.582 -1.145 1.00 41.11 H new ATOM 0 HD2 PHE A 20 -6.513 9.208 1.571 1.00 74.42 H new ATOM 0 HE1 PHE A 20 -10.232 8.263 -1.505 1.00 3.22 H new ATOM 0 HE2 PHE A 20 -8.260 10.894 1.208 1.00 61.30 H new ATOM 0 HZ PHE A 20 -10.126 10.425 -0.330 1.00 31.44 H new ATOM 328 N GLU A 21 -6.212 3.573 0.549 1.00 31.41 N ATOM 329 CA GLU A 21 -5.524 2.311 0.355 1.00 35.03 C ATOM 330 C GLU A 21 -5.142 2.145 -1.105 1.00 72.44 C ATOM 331 O GLU A 21 -5.967 2.340 -1.998 1.00 34.32 O ATOM 332 CB GLU A 21 -6.407 1.152 0.830 1.00 32.21 C ATOM 333 CG GLU A 21 -6.615 1.150 2.338 1.00 63.03 C ATOM 334 CD GLU A 21 -7.686 0.186 2.802 1.00 32.51 C ATOM 335 OE1 GLU A 21 -7.446 -1.039 2.789 1.00 55.44 O ATOM 336 OE2 GLU A 21 -8.768 0.656 3.218 1.00 63.15 O ATOM 0 H GLU A 21 -7.062 3.678 -0.005 1.00 31.41 H new ATOM 0 HA GLU A 21 -4.609 2.306 0.948 1.00 35.03 H new ATOM 0 HB2 GLU A 21 -7.376 1.212 0.334 1.00 32.21 H new ATOM 0 HB3 GLU A 21 -5.953 0.208 0.529 1.00 32.21 H new ATOM 0 HG2 GLU A 21 -5.674 0.896 2.826 1.00 63.03 H new ATOM 0 HG3 GLU A 21 -6.880 2.157 2.661 1.00 63.03 H new ATOM 343 N GLY A 22 -3.886 1.811 -1.346 1.00 31.11 N ATOM 344 CA GLY A 22 -3.405 1.696 -2.703 1.00 2.41 C ATOM 345 C GLY A 22 -2.398 0.581 -2.864 1.00 1.23 C ATOM 346 O GLY A 22 -2.138 -0.172 -1.924 1.00 32.44 O ATOM 0 H GLY A 22 -3.191 1.617 -0.625 1.00 31.11 H new ATOM 0 HA2 GLY A 22 -4.248 1.520 -3.371 1.00 2.41 H new ATOM 0 HA3 GLY A 22 -2.950 2.639 -3.006 1.00 2.41 H new ATOM 350 N LEU A 23 -1.826 0.477 -4.050 1.00 52.43 N ATOM 351 CA LEU A 23 -0.882 -0.586 -4.348 1.00 74.53 C ATOM 352 C LEU A 23 0.513 -0.010 -4.567 1.00 22.02 C ATOM 353 O LEU A 23 0.677 0.974 -5.288 1.00 53.03 O ATOM 354 CB LEU A 23 -1.332 -1.343 -5.601 1.00 2.14 C ATOM 355 CG LEU A 23 -0.644 -2.687 -5.832 1.00 1.24 C ATOM 356 CD1 LEU A 23 -1.108 -3.702 -4.798 1.00 35.41 C ATOM 357 CD2 LEU A 23 -0.917 -3.192 -7.242 1.00 35.11 C ATOM 0 H LEU A 23 -1.999 1.117 -4.825 1.00 52.43 H new ATOM 0 HA LEU A 23 -0.850 -1.273 -3.503 1.00 74.53 H new ATOM 0 HB2 LEU A 23 -2.407 -1.510 -5.539 1.00 2.14 H new ATOM 0 HB3 LEU A 23 -1.158 -0.710 -6.471 1.00 2.14 H new ATOM 0 HG LEU A 23 0.432 -2.550 -5.722 1.00 1.24 H new ATOM 0 HD11 LEU A 23 -0.610 -4.655 -4.975 1.00 35.41 H new ATOM 0 HD12 LEU A 23 -0.861 -3.343 -3.799 1.00 35.41 H new ATOM 0 HD13 LEU A 23 -2.187 -3.836 -4.878 1.00 35.41 H new ATOM 0 HD21 LEU A 23 -0.419 -4.150 -7.388 1.00 35.11 H new ATOM 0 HD22 LEU A 23 -1.991 -3.316 -7.383 1.00 35.11 H new ATOM 0 HD23 LEU A 23 -0.537 -2.472 -7.966 1.00 35.11 H new ATOM 369 N VAL A 24 1.511 -0.615 -3.937 1.00 74.35 N ATOM 370 CA VAL A 24 2.894 -0.199 -4.127 1.00 70.24 C ATOM 371 C VAL A 24 3.358 -0.557 -5.531 1.00 12.12 C ATOM 372 O VAL A 24 3.451 -1.732 -5.884 1.00 53.13 O ATOM 373 CB VAL A 24 3.837 -0.857 -3.100 1.00 63.41 C ATOM 374 CG1 VAL A 24 5.272 -0.402 -3.320 1.00 51.22 C ATOM 375 CG2 VAL A 24 3.390 -0.543 -1.682 1.00 22.43 C ATOM 0 H VAL A 24 1.389 -1.395 -3.291 1.00 74.35 H new ATOM 0 HA VAL A 24 2.931 0.881 -3.983 1.00 70.24 H new ATOM 0 HB VAL A 24 3.794 -1.937 -3.242 1.00 63.41 H new ATOM 0 HG11 VAL A 24 5.921 -0.878 -2.585 1.00 51.22 H new ATOM 0 HG12 VAL A 24 5.593 -0.682 -4.323 1.00 51.22 H new ATOM 0 HG13 VAL A 24 5.331 0.681 -3.210 1.00 51.22 H new ATOM 0 HG21 VAL A 24 4.069 -1.017 -0.973 1.00 22.43 H new ATOM 0 HG22 VAL A 24 3.400 0.536 -1.528 1.00 22.43 H new ATOM 0 HG23 VAL A 24 2.380 -0.923 -1.526 1.00 22.43 H new ATOM 385 N GLN A 25 3.641 0.460 -6.332 1.00 64.21 N ATOM 386 CA GLN A 25 4.085 0.248 -7.702 1.00 23.25 C ATOM 387 C GLN A 25 5.556 -0.122 -7.729 1.00 45.03 C ATOM 388 O GLN A 25 5.993 -0.935 -8.543 1.00 73.43 O ATOM 389 CB GLN A 25 3.858 1.505 -8.544 1.00 73.51 C ATOM 390 CG GLN A 25 2.405 1.758 -8.901 1.00 3.13 C ATOM 391 CD GLN A 25 1.831 0.695 -9.822 1.00 53.11 C ATOM 392 OE1 GLN A 25 1.931 0.797 -11.046 1.00 33.11 O ATOM 393 NE2 GLN A 25 1.216 -0.323 -9.243 1.00 33.42 N ATOM 0 H GLN A 25 3.571 1.440 -6.057 1.00 64.21 H new ATOM 0 HA GLN A 25 3.501 -0.570 -8.124 1.00 23.25 H new ATOM 0 HB2 GLN A 25 4.243 2.368 -8.000 1.00 73.51 H new ATOM 0 HB3 GLN A 25 4.438 1.423 -9.463 1.00 73.51 H new ATOM 0 HG2 GLN A 25 1.813 1.798 -7.987 1.00 3.13 H new ATOM 0 HG3 GLN A 25 2.318 2.733 -9.380 1.00 3.13 H new ATOM 0 HE21 GLN A 25 1.155 -0.370 -8.226 1.00 33.42 H new ATOM 0 HE22 GLN A 25 0.803 -1.061 -9.814 1.00 33.42 H new ATOM 402 N ARG A 26 6.306 0.471 -6.816 1.00 34.13 N ATOM 403 CA ARG A 26 7.741 0.312 -6.768 1.00 53.13 C ATOM 404 C ARG A 26 8.274 0.958 -5.503 1.00 34.54 C ATOM 405 O ARG A 26 7.716 1.938 -5.008 1.00 74.23 O ATOM 406 CB ARG A 26 8.399 0.925 -8.011 1.00 41.11 C ATOM 407 CG ARG A 26 8.061 2.390 -8.227 1.00 1.45 C ATOM 408 CD ARG A 26 8.604 2.900 -9.551 1.00 72.30 C ATOM 409 NE ARG A 26 8.256 4.302 -9.767 1.00 14.04 N ATOM 410 CZ ARG A 26 7.919 4.814 -10.950 1.00 50.43 C ATOM 411 NH1 ARG A 26 7.925 4.049 -12.035 1.00 25.12 N ATOM 412 NH2 ARG A 26 7.574 6.095 -11.046 1.00 51.41 N ATOM 0 H ARG A 26 5.931 1.077 -6.087 1.00 34.13 H new ATOM 0 HA ARG A 26 7.983 -0.751 -6.757 1.00 53.13 H new ATOM 0 HB2 ARG A 26 9.481 0.820 -7.926 1.00 41.11 H new ATOM 0 HB3 ARG A 26 8.092 0.358 -8.890 1.00 41.11 H new ATOM 0 HG2 ARG A 26 6.979 2.522 -8.202 1.00 1.45 H new ATOM 0 HG3 ARG A 26 8.474 2.983 -7.411 1.00 1.45 H new ATOM 0 HD2 ARG A 26 9.688 2.786 -9.569 1.00 72.30 H new ATOM 0 HD3 ARG A 26 8.206 2.295 -10.366 1.00 72.30 H new ATOM 0 HE ARG A 26 8.272 4.928 -8.962 1.00 14.04 H new ATOM 0 HH11 ARG A 26 8.188 3.066 -11.965 1.00 25.12 H new ATOM 0 HH12 ARG A 26 7.666 4.444 -12.939 1.00 25.12 H new ATOM 0 HH21 ARG A 26 7.567 6.685 -10.214 1.00 51.41 H new ATOM 0 HH22 ARG A 26 7.316 6.487 -11.952 1.00 51.41 H new ATOM 426 N VAL A 27 9.314 0.365 -4.965 1.00 54.33 N ATOM 427 CA VAL A 27 9.963 0.866 -3.764 1.00 65.44 C ATOM 428 C VAL A 27 11.334 1.434 -4.106 1.00 63.11 C ATOM 429 O VAL A 27 12.137 0.773 -4.762 1.00 42.54 O ATOM 430 CB VAL A 27 10.124 -0.250 -2.704 1.00 73.22 C ATOM 431 CG1 VAL A 27 10.781 0.290 -1.443 1.00 64.42 C ATOM 432 CG2 VAL A 27 8.779 -0.878 -2.373 1.00 0.12 C ATOM 0 H VAL A 27 9.739 -0.481 -5.345 1.00 54.33 H new ATOM 0 HA VAL A 27 9.331 1.651 -3.350 1.00 65.44 H new ATOM 0 HB VAL A 27 10.770 -1.020 -3.124 1.00 73.22 H new ATOM 0 HG11 VAL A 27 10.883 -0.513 -0.713 1.00 64.42 H new ATOM 0 HG12 VAL A 27 11.767 0.686 -1.687 1.00 64.42 H new ATOM 0 HG13 VAL A 27 10.165 1.085 -1.023 1.00 64.42 H new ATOM 0 HG21 VAL A 27 8.916 -1.660 -1.626 1.00 0.12 H new ATOM 0 HG22 VAL A 27 8.108 -0.114 -1.980 1.00 0.12 H new ATOM 0 HG23 VAL A 27 8.347 -1.311 -3.276 1.00 0.12 H new ATOM 442 N SER A 28 11.593 2.657 -3.673 1.00 50.12 N ATOM 443 CA SER A 28 12.891 3.272 -3.863 1.00 22.15 C ATOM 444 C SER A 28 13.635 3.311 -2.533 1.00 21.11 C ATOM 445 O SER A 28 13.815 4.375 -1.935 1.00 4.03 O ATOM 446 CB SER A 28 12.749 4.679 -4.451 1.00 34.05 C ATOM 447 OG SER A 28 13.997 5.187 -4.896 1.00 40.35 O ATOM 0 H SER A 28 10.916 3.244 -3.185 1.00 50.12 H new ATOM 0 HA SER A 28 13.465 2.676 -4.573 1.00 22.15 H new ATOM 0 HB2 SER A 28 12.047 4.657 -5.284 1.00 34.05 H new ATOM 0 HB3 SER A 28 12.330 5.348 -3.699 1.00 34.05 H new ATOM 0 HG SER A 28 13.871 6.085 -5.267 1.00 40.35 H new ATOM 453 N ASP A 29 13.999 2.119 -2.058 1.00 43.51 N ATOM 454 CA ASP A 29 14.792 1.934 -0.840 1.00 32.35 C ATOM 455 C ASP A 29 14.024 2.309 0.418 1.00 3.33 C ATOM 456 O ASP A 29 13.618 1.450 1.200 1.00 34.45 O ATOM 457 CB ASP A 29 16.105 2.718 -0.921 1.00 54.12 C ATOM 458 CG ASP A 29 17.013 2.444 0.258 1.00 24.12 C ATOM 459 OD1 ASP A 29 17.497 1.297 0.387 1.00 52.03 O ATOM 460 OD2 ASP A 29 17.259 3.379 1.047 1.00 40.52 O ATOM 0 H ASP A 29 13.748 1.242 -2.514 1.00 43.51 H new ATOM 0 HA ASP A 29 15.019 0.870 -0.771 1.00 32.35 H new ATOM 0 HB2 ASP A 29 16.624 2.459 -1.844 1.00 54.12 H new ATOM 0 HB3 ASP A 29 15.886 3.785 -0.967 1.00 54.12 H new ATOM 465 N GLY A 30 13.835 3.586 0.594 1.00 14.22 N ATOM 466 CA GLY A 30 13.182 4.097 1.782 1.00 21.32 C ATOM 467 C GLY A 30 11.819 4.696 1.498 1.00 13.40 C ATOM 468 O GLY A 30 11.069 5.021 2.420 1.00 35.41 O ATOM 0 H GLY A 30 14.124 4.303 -0.071 1.00 14.22 H new ATOM 0 HA2 GLY A 30 13.074 3.290 2.506 1.00 21.32 H new ATOM 0 HA3 GLY A 30 13.817 4.854 2.241 1.00 21.32 H new ATOM 472 N LYS A 31 11.504 4.855 0.223 1.00 42.15 N ATOM 473 CA LYS A 31 10.239 5.413 -0.192 1.00 4.21 C ATOM 474 C LYS A 31 9.525 4.454 -1.131 1.00 53.12 C ATOM 475 O LYS A 31 10.113 3.472 -1.577 1.00 31.14 O ATOM 476 CB LYS A 31 10.490 6.740 -0.888 1.00 41.34 C ATOM 477 CG LYS A 31 10.805 7.883 0.061 1.00 43.21 C ATOM 478 CD LYS A 31 11.274 9.112 -0.696 1.00 30.21 C ATOM 479 CE LYS A 31 12.634 8.877 -1.327 1.00 15.10 C ATOM 480 NZ LYS A 31 13.001 9.954 -2.278 1.00 33.34 N ATOM 0 H LYS A 31 12.121 4.600 -0.548 1.00 42.15 H new ATOM 0 HA LYS A 31 9.606 5.572 0.681 1.00 4.21 H new ATOM 0 HB2 LYS A 31 11.319 6.622 -1.586 1.00 41.34 H new ATOM 0 HB3 LYS A 31 9.611 7.002 -1.477 1.00 41.34 H new ATOM 0 HG2 LYS A 31 9.918 8.129 0.645 1.00 43.21 H new ATOM 0 HG3 LYS A 31 11.575 7.571 0.767 1.00 43.21 H new ATOM 0 HD2 LYS A 31 10.549 9.365 -1.470 1.00 30.21 H new ATOM 0 HD3 LYS A 31 11.326 9.963 -0.017 1.00 30.21 H new ATOM 0 HE2 LYS A 31 13.390 8.812 -0.544 1.00 15.10 H new ATOM 0 HE3 LYS A 31 12.631 7.919 -1.848 1.00 15.10 H new ATOM 0 HZ1 LYS A 31 13.937 9.753 -2.685 1.00 33.34 H new ATOM 0 HZ2 LYS A 31 12.294 10.000 -3.040 1.00 33.34 H new ATOM 0 HZ3 LYS A 31 13.030 10.865 -1.777 1.00 33.34 H new ATOM 494 N ALA A 32 8.270 4.740 -1.438 1.00 11.13 N ATOM 495 CA ALA A 32 7.489 3.884 -2.320 1.00 32.52 C ATOM 496 C ALA A 32 6.459 4.695 -3.095 1.00 62.10 C ATOM 497 O ALA A 32 5.965 5.709 -2.605 1.00 65.10 O ATOM 498 CB ALA A 32 6.798 2.789 -1.520 1.00 2.04 C ATOM 0 H ALA A 32 7.769 5.558 -1.090 1.00 11.13 H new ATOM 0 HA ALA A 32 8.171 3.424 -3.035 1.00 32.52 H new ATOM 0 HB1 ALA A 32 6.218 2.157 -2.193 1.00 2.04 H new ATOM 0 HB2 ALA A 32 7.547 2.184 -1.009 1.00 2.04 H new ATOM 0 HB3 ALA A 32 6.133 3.241 -0.784 1.00 2.04 H new ATOM 504 N ALA A 33 6.145 4.250 -4.302 1.00 53.42 N ATOM 505 CA ALA A 33 5.129 4.899 -5.116 1.00 1.12 C ATOM 506 C ALA A 33 3.799 4.182 -4.945 1.00 2.42 C ATOM 507 O ALA A 33 3.671 3.003 -5.277 1.00 44.31 O ATOM 508 CB ALA A 33 5.547 4.908 -6.579 1.00 44.40 C ATOM 0 H ALA A 33 6.581 3.439 -4.741 1.00 53.42 H new ATOM 0 HA ALA A 33 5.017 5.932 -4.788 1.00 1.12 H new ATOM 0 HB1 ALA A 33 4.776 5.397 -7.175 1.00 44.40 H new ATOM 0 HB2 ALA A 33 6.487 5.450 -6.686 1.00 44.40 H new ATOM 0 HB3 ALA A 33 5.678 3.883 -6.926 1.00 44.40 H new ATOM 514 N VAL A 34 2.816 4.889 -4.415 1.00 12.23 N ATOM 515 CA VAL A 34 1.523 4.294 -4.124 1.00 42.13 C ATOM 516 C VAL A 34 0.513 4.638 -5.207 1.00 22.51 C ATOM 517 O VAL A 34 0.246 5.811 -5.476 1.00 43.13 O ATOM 518 CB VAL A 34 0.982 4.771 -2.760 1.00 4.44 C ATOM 519 CG1 VAL A 34 -0.304 4.042 -2.398 1.00 51.31 C ATOM 520 CG2 VAL A 34 2.030 4.579 -1.678 1.00 65.44 C ATOM 0 H VAL A 34 2.889 5.878 -4.177 1.00 12.23 H new ATOM 0 HA VAL A 34 1.666 3.214 -4.091 1.00 42.13 H new ATOM 0 HB VAL A 34 0.754 5.834 -2.837 1.00 4.44 H new ATOM 0 HG11 VAL A 34 -0.664 4.397 -1.432 1.00 51.31 H new ATOM 0 HG12 VAL A 34 -1.059 4.236 -3.160 1.00 51.31 H new ATOM 0 HG13 VAL A 34 -0.111 2.971 -2.342 1.00 51.31 H new ATOM 0 HG21 VAL A 34 1.633 4.920 -0.722 1.00 65.44 H new ATOM 0 HG22 VAL A 34 2.290 3.523 -1.607 1.00 65.44 H new ATOM 0 HG23 VAL A 34 2.921 5.156 -1.928 1.00 65.44 H new ATOM 530 N LEU A 35 -0.031 3.612 -5.840 1.00 41.31 N ATOM 531 CA LEU A 35 -1.061 3.805 -6.844 1.00 42.44 C ATOM 532 C LEU A 35 -2.434 3.691 -6.205 1.00 41.42 C ATOM 533 O LEU A 35 -2.807 2.632 -5.695 1.00 55.34 O ATOM 534 CB LEU A 35 -0.933 2.773 -7.959 1.00 45.54 C ATOM 535 CG LEU A 35 -1.848 3.001 -9.159 1.00 71.43 C ATOM 536 CD1 LEU A 35 -1.498 4.305 -9.862 1.00 75.23 C ATOM 537 CD2 LEU A 35 -1.764 1.832 -10.126 1.00 71.34 C ATOM 0 H LEU A 35 0.224 2.638 -5.676 1.00 41.31 H new ATOM 0 HA LEU A 35 -0.937 4.800 -7.272 1.00 42.44 H new ATOM 0 HB2 LEU A 35 0.100 2.762 -8.306 1.00 45.54 H new ATOM 0 HB3 LEU A 35 -1.141 1.786 -7.545 1.00 45.54 H new ATOM 0 HG LEU A 35 -2.874 3.073 -8.797 1.00 71.43 H new ATOM 0 HD11 LEU A 35 -2.162 4.448 -10.714 1.00 75.23 H new ATOM 0 HD12 LEU A 35 -1.615 5.136 -9.167 1.00 75.23 H new ATOM 0 HD13 LEU A 35 -0.465 4.266 -10.209 1.00 75.23 H new ATOM 0 HD21 LEU A 35 -2.424 2.014 -10.975 1.00 71.34 H new ATOM 0 HD22 LEU A 35 -0.739 1.725 -10.480 1.00 71.34 H new ATOM 0 HD23 LEU A 35 -2.070 0.917 -9.618 1.00 71.34 H new ATOM 549 N PHE A 36 -3.169 4.781 -6.222 1.00 32.41 N ATOM 550 CA PHE A 36 -4.519 4.803 -5.688 1.00 31.11 C ATOM 551 C PHE A 36 -5.506 4.487 -6.794 1.00 22.02 C ATOM 552 O PHE A 36 -5.302 4.877 -7.947 1.00 62.02 O ATOM 553 CB PHE A 36 -4.836 6.165 -5.076 1.00 40.41 C ATOM 554 CG PHE A 36 -3.919 6.547 -3.949 1.00 12.15 C ATOM 555 CD1 PHE A 36 -4.127 6.053 -2.672 1.00 34.02 C ATOM 556 CD2 PHE A 36 -2.850 7.405 -4.165 1.00 23.21 C ATOM 557 CE1 PHE A 36 -3.289 6.405 -1.633 1.00 24.23 C ATOM 558 CE2 PHE A 36 -2.010 7.760 -3.128 1.00 24.31 C ATOM 559 CZ PHE A 36 -2.231 7.260 -1.861 1.00 12.22 C ATOM 0 H PHE A 36 -2.853 5.673 -6.603 1.00 32.41 H new ATOM 0 HA PHE A 36 -4.599 4.050 -4.904 1.00 31.11 H new ATOM 0 HB2 PHE A 36 -4.778 6.926 -5.854 1.00 40.41 H new ATOM 0 HB3 PHE A 36 -5.863 6.160 -4.711 1.00 40.41 H new ATOM 0 HD1 PHE A 36 -4.955 5.384 -2.487 1.00 34.02 H new ATOM 0 HD2 PHE A 36 -2.673 7.799 -5.155 1.00 23.21 H new ATOM 0 HE1 PHE A 36 -3.462 6.011 -0.642 1.00 24.23 H new ATOM 0 HE2 PHE A 36 -1.181 8.428 -3.308 1.00 24.31 H new ATOM 0 HZ PHE A 36 -1.576 7.538 -1.049 1.00 12.22 H new ATOM 569 N GLU A 37 -6.568 3.787 -6.445 1.00 44.00 N ATOM 570 CA GLU A 37 -7.547 3.355 -7.424 1.00 74.04 C ATOM 571 C GLU A 37 -8.946 3.456 -6.830 1.00 20.53 C ATOM 572 O GLU A 37 -9.286 2.733 -5.894 1.00 54.54 O ATOM 573 CB GLU A 37 -7.232 1.917 -7.866 1.00 23.02 C ATOM 574 CG GLU A 37 -7.769 1.543 -9.244 1.00 62.30 C ATOM 575 CD GLU A 37 -9.230 1.140 -9.243 1.00 55.41 C ATOM 576 OE1 GLU A 37 -10.099 2.027 -9.337 1.00 52.11 O ATOM 577 OE2 GLU A 37 -9.513 -0.074 -9.193 1.00 11.10 O ATOM 0 H GLU A 37 -6.775 3.504 -5.487 1.00 44.00 H new ATOM 0 HA GLU A 37 -7.504 4.000 -8.302 1.00 74.04 H new ATOM 0 HB2 GLU A 37 -6.151 1.779 -7.862 1.00 23.02 H new ATOM 0 HB3 GLU A 37 -7.644 1.226 -7.130 1.00 23.02 H new ATOM 0 HG2 GLU A 37 -7.636 2.390 -9.917 1.00 62.30 H new ATOM 0 HG3 GLU A 37 -7.175 0.721 -9.644 1.00 62.30 H new ATOM 584 N ASN A 38 -9.740 4.372 -7.362 1.00 22.22 N ATOM 585 CA ASN A 38 -11.089 4.600 -6.862 1.00 24.25 C ATOM 586 C ASN A 38 -12.084 4.615 -8.016 1.00 12.33 C ATOM 587 O ASN A 38 -12.463 5.682 -8.510 1.00 52.14 O ATOM 588 CB ASN A 38 -11.162 5.920 -6.082 1.00 3.53 C ATOM 589 CG ASN A 38 -12.506 6.133 -5.404 1.00 33.13 C ATOM 590 OD1 ASN A 38 -12.703 5.734 -4.257 1.00 3.44 O ATOM 591 ND2 ASN A 38 -13.439 6.765 -6.105 1.00 1.51 N ATOM 0 H ASN A 38 -9.473 4.972 -8.143 1.00 22.22 H new ATOM 0 HA ASN A 38 -11.347 3.785 -6.185 1.00 24.25 H new ATOM 0 HB2 ASN A 38 -10.374 5.935 -5.329 1.00 3.53 H new ATOM 0 HB3 ASN A 38 -10.968 6.749 -6.762 1.00 3.53 H new ATOM 0 HD21 ASN A 38 -14.357 6.935 -5.695 1.00 1.51 H new ATOM 0 HD22 ASN A 38 -13.238 7.081 -7.054 1.00 1.51 H new ATOM 598 N GLY A 39 -12.457 3.431 -8.478 1.00 73.33 N ATOM 599 CA GLY A 39 -13.463 3.309 -9.517 1.00 61.35 C ATOM 600 C GLY A 39 -12.977 3.809 -10.862 1.00 10.40 C ATOM 601 O GLY A 39 -12.409 3.051 -11.650 1.00 31.13 O ATOM 0 H GLY A 39 -12.078 2.543 -8.149 1.00 73.33 H new ATOM 0 HA2 GLY A 39 -13.761 2.264 -9.608 1.00 61.35 H new ATOM 0 HA3 GLY A 39 -14.351 3.869 -9.225 1.00 61.35 H new ATOM 605 N ASN A 40 -13.202 5.086 -11.122 1.00 51.20 N ATOM 606 CA ASN A 40 -12.788 5.704 -12.370 1.00 45.23 C ATOM 607 C ASN A 40 -11.505 6.493 -12.162 1.00 62.33 C ATOM 608 O ASN A 40 -10.746 6.743 -13.099 1.00 13.22 O ATOM 609 CB ASN A 40 -13.890 6.632 -12.876 1.00 43.11 C ATOM 610 CG ASN A 40 -13.567 7.272 -14.213 1.00 21.45 C ATOM 611 OD1 ASN A 40 -12.910 6.673 -15.068 1.00 62.14 O ATOM 612 ND2 ASN A 40 -14.017 8.503 -14.398 1.00 33.32 N ATOM 0 H ASN A 40 -13.674 5.720 -10.478 1.00 51.20 H new ATOM 0 HA ASN A 40 -12.607 4.924 -13.109 1.00 45.23 H new ATOM 0 HB2 ASN A 40 -14.818 6.068 -12.966 1.00 43.11 H new ATOM 0 HB3 ASN A 40 -14.063 7.415 -12.138 1.00 43.11 H new ATOM 0 HD21 ASN A 40 -13.824 8.991 -15.273 1.00 33.32 H new ATOM 0 HD22 ASN A 40 -14.557 8.964 -13.666 1.00 33.32 H new ATOM 619 N TRP A 41 -11.265 6.866 -10.919 1.00 12.34 N ATOM 620 CA TRP A 41 -10.126 7.695 -10.575 1.00 22.25 C ATOM 621 C TRP A 41 -8.928 6.843 -10.198 1.00 44.40 C ATOM 622 O TRP A 41 -9.066 5.774 -9.601 1.00 43.33 O ATOM 623 CB TRP A 41 -10.501 8.632 -9.428 1.00 34.24 C ATOM 624 CG TRP A 41 -9.397 9.531 -8.953 1.00 61.41 C ATOM 625 CD1 TRP A 41 -8.970 10.689 -9.540 1.00 43.44 C ATOM 626 CD2 TRP A 41 -8.594 9.356 -7.777 1.00 61.53 C ATOM 627 NE1 TRP A 41 -7.955 11.245 -8.801 1.00 65.35 N ATOM 628 CE2 TRP A 41 -7.705 10.444 -7.715 1.00 43.32 C ATOM 629 CE3 TRP A 41 -8.544 8.385 -6.771 1.00 64.42 C ATOM 630 CZ2 TRP A 41 -6.777 10.592 -6.688 1.00 20.31 C ATOM 631 CZ3 TRP A 41 -7.619 8.530 -5.753 1.00 41.32 C ATOM 632 CH2 TRP A 41 -6.749 9.628 -5.716 1.00 62.45 C ATOM 0 H TRP A 41 -11.849 6.605 -10.125 1.00 12.34 H new ATOM 0 HA TRP A 41 -9.850 8.289 -11.446 1.00 22.25 H new ATOM 0 HB2 TRP A 41 -11.341 9.250 -9.744 1.00 34.24 H new ATOM 0 HB3 TRP A 41 -10.846 8.031 -8.587 1.00 34.24 H new ATOM 0 HD1 TRP A 41 -9.372 11.106 -10.452 1.00 43.44 H new ATOM 0 HE1 TRP A 41 -7.466 12.112 -9.023 1.00 65.35 H new ATOM 0 HE3 TRP A 41 -9.215 7.539 -6.789 1.00 64.42 H new ATOM 0 HZ2 TRP A 41 -6.104 11.436 -6.659 1.00 20.31 H new ATOM 0 HZ3 TRP A 41 -7.566 7.784 -4.973 1.00 41.32 H new ATOM 0 HH2 TRP A 41 -6.042 9.716 -4.904 1.00 62.45 H new ATOM 643 N ASP A 42 -7.761 7.327 -10.567 1.00 62.11 N ATOM 644 CA ASP A 42 -6.498 6.687 -10.219 1.00 61.22 C ATOM 645 C ASP A 42 -5.419 7.745 -10.093 1.00 71.43 C ATOM 646 O ASP A 42 -5.515 8.813 -10.705 1.00 22.43 O ATOM 647 CB ASP A 42 -6.086 5.628 -11.256 1.00 33.35 C ATOM 648 CG ASP A 42 -5.751 6.215 -12.617 1.00 43.13 C ATOM 649 OD1 ASP A 42 -6.679 6.398 -13.434 1.00 2.24 O ATOM 650 OD2 ASP A 42 -4.560 6.479 -12.887 1.00 54.01 O ATOM 0 H ASP A 42 -7.655 8.178 -11.119 1.00 62.11 H new ATOM 0 HA ASP A 42 -6.628 6.173 -9.267 1.00 61.22 H new ATOM 0 HB2 ASP A 42 -5.221 5.081 -10.882 1.00 33.35 H new ATOM 0 HB3 ASP A 42 -6.895 4.906 -11.369 1.00 33.35 H new ATOM 655 N LYS A 43 -4.404 7.458 -9.295 1.00 72.14 N ATOM 656 CA LYS A 43 -3.361 8.431 -9.017 1.00 42.12 C ATOM 657 C LYS A 43 -2.125 7.751 -8.448 1.00 25.43 C ATOM 658 O LYS A 43 -2.214 6.978 -7.495 1.00 20.34 O ATOM 659 CB LYS A 43 -3.878 9.474 -8.024 1.00 0.24 C ATOM 660 CG LYS A 43 -2.914 10.615 -7.751 1.00 51.21 C ATOM 661 CD LYS A 43 -2.730 11.501 -8.968 1.00 1.32 C ATOM 662 CE LYS A 43 -1.839 12.691 -8.651 1.00 70.43 C ATOM 663 NZ LYS A 43 -2.366 13.496 -7.514 1.00 35.21 N ATOM 0 H LYS A 43 -4.280 6.559 -8.828 1.00 72.14 H new ATOM 0 HA LYS A 43 -3.088 8.920 -9.952 1.00 42.12 H new ATOM 0 HB2 LYS A 43 -4.812 9.887 -8.404 1.00 0.24 H new ATOM 0 HB3 LYS A 43 -4.109 8.977 -7.082 1.00 0.24 H new ATOM 0 HG2 LYS A 43 -3.285 11.213 -6.919 1.00 51.21 H new ATOM 0 HG3 LYS A 43 -1.949 10.210 -7.447 1.00 51.21 H new ATOM 0 HD2 LYS A 43 -2.292 10.921 -9.780 1.00 1.32 H new ATOM 0 HD3 LYS A 43 -3.701 11.853 -9.315 1.00 1.32 H new ATOM 0 HE2 LYS A 43 -0.836 12.339 -8.411 1.00 70.43 H new ATOM 0 HE3 LYS A 43 -1.752 13.324 -9.534 1.00 70.43 H new ATOM 0 HZ1 LYS A 43 -1.841 14.391 -7.449 1.00 35.21 H new ATOM 0 HZ2 LYS A 43 -3.375 13.697 -7.669 1.00 35.21 H new ATOM 0 HZ3 LYS A 43 -2.251 12.963 -6.629 1.00 35.21 H new ATOM 677 N LEU A 44 -0.980 8.031 -9.043 1.00 51.43 N ATOM 678 CA LEU A 44 0.286 7.535 -8.532 1.00 20.21 C ATOM 679 C LEU A 44 0.967 8.610 -7.701 1.00 30.32 C ATOM 680 O LEU A 44 1.376 9.645 -8.228 1.00 73.21 O ATOM 681 CB LEU A 44 1.197 7.105 -9.684 1.00 32.34 C ATOM 682 CG LEU A 44 2.570 6.569 -9.266 1.00 54.53 C ATOM 683 CD1 LEU A 44 2.418 5.301 -8.444 1.00 40.43 C ATOM 684 CD2 LEU A 44 3.444 6.323 -10.490 1.00 2.23 C ATOM 0 H LEU A 44 -0.900 8.602 -9.884 1.00 51.43 H new ATOM 0 HA LEU A 44 0.092 6.667 -7.902 1.00 20.21 H new ATOM 0 HB2 LEU A 44 0.685 6.336 -10.263 1.00 32.34 H new ATOM 0 HB3 LEU A 44 1.344 7.958 -10.347 1.00 32.34 H new ATOM 0 HG LEU A 44 3.061 7.319 -8.646 1.00 54.53 H new ATOM 0 HD11 LEU A 44 3.403 4.934 -8.156 1.00 40.43 H new ATOM 0 HD12 LEU A 44 1.834 5.516 -7.549 1.00 40.43 H new ATOM 0 HD13 LEU A 44 1.907 4.542 -9.037 1.00 40.43 H new ATOM 0 HD21 LEU A 44 4.415 5.943 -10.173 1.00 2.23 H new ATOM 0 HD22 LEU A 44 2.963 5.592 -11.140 1.00 2.23 H new ATOM 0 HD23 LEU A 44 3.580 7.258 -11.034 1.00 2.23 H new ATOM 696 N VAL A 45 1.063 8.381 -6.403 1.00 52.43 N ATOM 697 CA VAL A 45 1.711 9.331 -5.511 1.00 31.32 C ATOM 698 C VAL A 45 2.794 8.640 -4.692 1.00 34.30 C ATOM 699 O VAL A 45 2.544 7.624 -4.046 1.00 42.23 O ATOM 700 CB VAL A 45 0.704 10.008 -4.551 1.00 74.11 C ATOM 701 CG1 VAL A 45 1.395 11.071 -3.708 1.00 15.01 C ATOM 702 CG2 VAL A 45 -0.459 10.615 -5.322 1.00 31.01 C ATOM 0 H VAL A 45 0.701 7.546 -5.942 1.00 52.43 H new ATOM 0 HA VAL A 45 2.155 10.102 -6.140 1.00 31.32 H new ATOM 0 HB VAL A 45 0.308 9.242 -3.885 1.00 74.11 H new ATOM 0 HG11 VAL A 45 0.669 11.534 -3.040 1.00 15.01 H new ATOM 0 HG12 VAL A 45 2.187 10.610 -3.119 1.00 15.01 H new ATOM 0 HG13 VAL A 45 1.824 11.831 -4.361 1.00 15.01 H new ATOM 0 HG21 VAL A 45 -1.152 11.085 -4.624 1.00 31.01 H new ATOM 0 HG22 VAL A 45 -0.082 11.364 -6.019 1.00 31.01 H new ATOM 0 HG23 VAL A 45 -0.976 9.832 -5.876 1.00 31.01 H new ATOM 712 N THR A 46 4.001 9.175 -4.745 1.00 21.44 N ATOM 713 CA THR A 46 5.098 8.656 -3.951 1.00 50.51 C ATOM 714 C THR A 46 4.932 9.036 -2.480 1.00 71.54 C ATOM 715 O THR A 46 4.499 10.144 -2.151 1.00 35.13 O ATOM 716 CB THR A 46 6.445 9.194 -4.463 1.00 44.22 C ATOM 717 OG1 THR A 46 6.493 9.098 -5.893 1.00 11.01 O ATOM 718 CG2 THR A 46 7.609 8.422 -3.865 1.00 41.13 C ATOM 0 H THR A 46 4.246 9.972 -5.333 1.00 21.44 H new ATOM 0 HA THR A 46 5.086 7.570 -4.044 1.00 50.51 H new ATOM 0 HB THR A 46 6.531 10.237 -4.158 1.00 44.22 H new ATOM 0 HG1 THR A 46 7.352 9.443 -6.215 1.00 11.01 H new ATOM 0 HG21 THR A 46 8.547 8.826 -4.246 1.00 41.13 H new ATOM 0 HG22 THR A 46 7.588 8.515 -2.779 1.00 41.13 H new ATOM 0 HG23 THR A 46 7.528 7.370 -4.140 1.00 41.13 H new ATOM 726 N PHE A 47 5.262 8.096 -1.615 1.00 1.34 N ATOM 727 CA PHE A 47 5.239 8.299 -0.176 1.00 52.31 C ATOM 728 C PHE A 47 6.483 7.684 0.436 1.00 31.13 C ATOM 729 O PHE A 47 7.351 7.178 -0.275 1.00 32.04 O ATOM 730 CB PHE A 47 4.011 7.638 0.466 1.00 23.43 C ATOM 731 CG PHE A 47 2.710 8.352 0.244 1.00 40.35 C ATOM 732 CD1 PHE A 47 1.968 8.135 -0.903 1.00 2.24 C ATOM 733 CD2 PHE A 47 2.221 9.224 1.201 1.00 31.50 C ATOM 734 CE1 PHE A 47 0.765 8.781 -1.095 1.00 11.14 C ATOM 735 CE2 PHE A 47 1.017 9.868 1.015 1.00 61.04 C ATOM 736 CZ PHE A 47 0.287 9.647 -0.134 1.00 72.44 C ATOM 0 H PHE A 47 5.557 7.160 -1.893 1.00 1.34 H new ATOM 0 HA PHE A 47 5.199 9.372 0.009 1.00 52.31 H new ATOM 0 HB2 PHE A 47 3.921 6.623 0.078 1.00 23.43 H new ATOM 0 HB3 PHE A 47 4.183 7.555 1.539 1.00 23.43 H new ATOM 0 HD1 PHE A 47 2.335 7.453 -1.656 1.00 2.24 H new ATOM 0 HD2 PHE A 47 2.789 9.402 2.102 1.00 31.50 H new ATOM 0 HE1 PHE A 47 0.197 8.609 -1.998 1.00 11.14 H new ATOM 0 HE2 PHE A 47 0.645 10.546 1.769 1.00 61.04 H new ATOM 0 HZ PHE A 47 -0.657 10.151 -0.281 1.00 72.44 H new ATOM 746 N ARG A 48 6.560 7.721 1.752 1.00 71.31 N ATOM 747 CA ARG A 48 7.589 6.991 2.468 1.00 52.40 C ATOM 748 C ARG A 48 7.061 5.609 2.827 1.00 15.14 C ATOM 749 O ARG A 48 5.917 5.278 2.522 1.00 4.02 O ATOM 750 CB ARG A 48 8.000 7.725 3.746 1.00 22.21 C ATOM 751 CG ARG A 48 8.718 9.043 3.520 1.00 42.11 C ATOM 752 CD ARG A 48 9.057 9.694 4.849 1.00 34.32 C ATOM 753 NE ARG A 48 9.923 10.862 4.712 1.00 14.40 N ATOM 754 CZ ARG A 48 10.327 11.597 5.749 1.00 20.51 C ATOM 755 NH1 ARG A 48 9.870 11.329 6.966 1.00 54.43 N ATOM 756 NH2 ARG A 48 11.170 12.606 5.575 1.00 72.31 N ATOM 0 H ARG A 48 5.922 8.249 2.348 1.00 71.31 H new ATOM 0 HA ARG A 48 8.465 6.907 1.825 1.00 52.40 H new ATOM 0 HB2 ARG A 48 7.108 7.911 4.344 1.00 22.21 H new ATOM 0 HB3 ARG A 48 8.646 7.071 4.332 1.00 22.21 H new ATOM 0 HG2 ARG A 48 9.630 8.874 2.947 1.00 42.11 H new ATOM 0 HG3 ARG A 48 8.090 9.711 2.930 1.00 42.11 H new ATOM 0 HD2 ARG A 48 8.134 9.990 5.347 1.00 34.32 H new ATOM 0 HD3 ARG A 48 9.545 8.961 5.492 1.00 34.32 H new ATOM 0 HE ARG A 48 10.234 11.129 3.778 1.00 14.40 H new ATOM 0 HH11 ARG A 48 9.212 10.563 7.106 1.00 54.43 H new ATOM 0 HH12 ARG A 48 10.177 11.889 7.761 1.00 54.43 H new ATOM 0 HH21 ARG A 48 11.516 12.826 4.641 1.00 72.31 H new ATOM 0 HH22 ARG A 48 11.472 13.162 6.375 1.00 72.31 H new ATOM 770 N LEU A 49 7.875 4.822 3.497 1.00 60.40 N ATOM 771 CA LEU A 49 7.461 3.503 3.939 1.00 74.04 C ATOM 772 C LEU A 49 6.787 3.626 5.292 1.00 12.11 C ATOM 773 O LEU A 49 5.849 2.898 5.603 1.00 74.41 O ATOM 774 CB LEU A 49 8.657 2.550 4.021 1.00 51.30 C ATOM 775 CG LEU A 49 9.374 2.285 2.694 1.00 30.51 C ATOM 776 CD1 LEU A 49 10.522 1.313 2.895 1.00 43.23 C ATOM 777 CD2 LEU A 49 8.403 1.751 1.653 1.00 2.01 C ATOM 0 H LEU A 49 8.831 5.072 3.749 1.00 60.40 H new ATOM 0 HA LEU A 49 6.759 3.088 3.215 1.00 74.04 H new ATOM 0 HB2 LEU A 49 9.378 2.958 4.730 1.00 51.30 H new ATOM 0 HB3 LEU A 49 8.315 1.598 4.427 1.00 51.30 H new ATOM 0 HG LEU A 49 9.778 3.230 2.331 1.00 30.51 H new ATOM 0 HD11 LEU A 49 11.020 1.136 1.942 1.00 43.23 H new ATOM 0 HD12 LEU A 49 11.235 1.733 3.604 1.00 43.23 H new ATOM 0 HD13 LEU A 49 10.137 0.370 3.283 1.00 43.23 H new ATOM 0 HD21 LEU A 49 8.934 1.570 0.719 1.00 2.01 H new ATOM 0 HD22 LEU A 49 7.966 0.818 2.008 1.00 2.01 H new ATOM 0 HD23 LEU A 49 7.612 2.482 1.485 1.00 2.01 H new ATOM 789 N SER A 50 7.259 4.584 6.083 1.00 25.53 N ATOM 790 CA SER A 50 6.687 4.877 7.368 1.00 75.42 C ATOM 791 C SER A 50 5.316 5.530 7.223 1.00 35.33 C ATOM 792 O SER A 50 4.548 5.617 8.183 1.00 34.25 O ATOM 793 CB SER A 50 7.628 5.797 8.108 1.00 4.45 C ATOM 794 OG SER A 50 8.929 5.236 8.208 1.00 35.33 O ATOM 0 H SER A 50 8.053 5.175 5.838 1.00 25.53 H new ATOM 0 HA SER A 50 6.550 3.949 7.924 1.00 75.42 H new ATOM 0 HB2 SER A 50 7.682 6.756 7.592 1.00 4.45 H new ATOM 0 HB3 SER A 50 7.237 5.993 9.106 1.00 4.45 H new ATOM 0 HG SER A 50 9.516 5.855 8.690 1.00 35.33 H new ATOM 800 N GLU A 51 5.011 5.986 6.015 1.00 33.32 N ATOM 801 CA GLU A 51 3.728 6.623 5.741 1.00 54.42 C ATOM 802 C GLU A 51 2.645 5.576 5.531 1.00 55.24 C ATOM 803 O GLU A 51 1.450 5.863 5.635 1.00 31.14 O ATOM 804 CB GLU A 51 3.825 7.507 4.498 1.00 53.43 C ATOM 805 CG GLU A 51 4.802 8.656 4.638 1.00 64.25 C ATOM 806 CD GLU A 51 4.379 9.644 5.697 1.00 14.44 C ATOM 807 OE1 GLU A 51 4.711 9.433 6.881 1.00 15.34 O ATOM 808 OE2 GLU A 51 3.719 10.639 5.347 1.00 74.34 O ATOM 0 H GLU A 51 5.634 5.927 5.209 1.00 33.32 H new ATOM 0 HA GLU A 51 3.468 7.239 6.601 1.00 54.42 H new ATOM 0 HB2 GLU A 51 4.122 6.892 3.649 1.00 53.43 H new ATOM 0 HB3 GLU A 51 2.837 7.908 4.271 1.00 53.43 H new ATOM 0 HG2 GLU A 51 5.788 8.263 4.885 1.00 64.25 H new ATOM 0 HG3 GLU A 51 4.894 9.170 3.681 1.00 64.25 H new ATOM 815 N LEU A 52 3.074 4.360 5.246 1.00 14.21 N ATOM 816 CA LEU A 52 2.167 3.298 4.870 1.00 2.23 C ATOM 817 C LEU A 52 2.173 2.177 5.896 1.00 71.44 C ATOM 818 O LEU A 52 3.126 2.018 6.661 1.00 54.22 O ATOM 819 CB LEU A 52 2.592 2.737 3.516 1.00 41.14 C ATOM 820 CG LEU A 52 2.721 3.768 2.395 1.00 21.14 C ATOM 821 CD1 LEU A 52 3.397 3.152 1.184 1.00 74.50 C ATOM 822 CD2 LEU A 52 1.355 4.321 2.019 1.00 54.11 C ATOM 0 H LEU A 52 4.056 4.085 5.269 1.00 14.21 H new ATOM 0 HA LEU A 52 1.159 3.709 4.817 1.00 2.23 H new ATOM 0 HB2 LEU A 52 3.550 2.232 3.635 1.00 41.14 H new ATOM 0 HB3 LEU A 52 1.869 1.981 3.211 1.00 41.14 H new ATOM 0 HG LEU A 52 3.338 4.592 2.753 1.00 21.14 H new ATOM 0 HD11 LEU A 52 3.481 3.899 0.395 1.00 74.50 H new ATOM 0 HD12 LEU A 52 4.392 2.803 1.461 1.00 74.50 H new ATOM 0 HD13 LEU A 52 2.804 2.311 0.825 1.00 74.50 H new ATOM 0 HD21 LEU A 52 1.466 5.053 1.220 1.00 54.11 H new ATOM 0 HD22 LEU A 52 0.714 3.507 1.679 1.00 54.11 H new ATOM 0 HD23 LEU A 52 0.904 4.799 2.889 1.00 54.11 H new ATOM 834 N GLU A 53 1.096 1.416 5.912 1.00 25.12 N ATOM 835 CA GLU A 53 1.042 0.177 6.661 1.00 30.50 C ATOM 836 C GLU A 53 0.652 -0.948 5.715 1.00 74.15 C ATOM 837 O GLU A 53 -0.101 -0.728 4.762 1.00 71.35 O ATOM 838 CB GLU A 53 0.040 0.268 7.813 1.00 54.12 C ATOM 839 CG GLU A 53 -1.401 0.424 7.360 1.00 45.52 C ATOM 840 CD GLU A 53 -2.376 0.425 8.516 1.00 4.51 C ATOM 841 OE1 GLU A 53 -2.633 -0.658 9.082 1.00 33.24 O ATOM 842 OE2 GLU A 53 -2.889 1.508 8.871 1.00 50.44 O ATOM 0 H GLU A 53 0.237 1.638 5.408 1.00 25.12 H new ATOM 0 HA GLU A 53 2.023 -0.019 7.094 1.00 30.50 H new ATOM 0 HB2 GLU A 53 0.123 -0.629 8.427 1.00 54.12 H new ATOM 0 HB3 GLU A 53 0.305 1.114 8.447 1.00 54.12 H new ATOM 0 HG2 GLU A 53 -1.504 1.354 6.802 1.00 45.52 H new ATOM 0 HG3 GLU A 53 -1.653 -0.387 6.677 1.00 45.52 H new ATOM 849 N ALA A 54 1.171 -2.139 5.955 1.00 2.33 N ATOM 850 CA ALA A 54 0.843 -3.281 5.120 1.00 25.00 C ATOM 851 C ALA A 54 -0.541 -3.807 5.468 1.00 20.44 C ATOM 852 O ALA A 54 -0.823 -4.122 6.626 1.00 52.12 O ATOM 853 CB ALA A 54 1.889 -4.373 5.279 1.00 43.21 C ATOM 0 H ALA A 54 1.818 -2.340 6.717 1.00 2.33 H new ATOM 0 HA ALA A 54 0.839 -2.962 4.078 1.00 25.00 H new ATOM 0 HB1 ALA A 54 1.628 -5.222 4.647 1.00 43.21 H new ATOM 0 HB2 ALA A 54 2.865 -3.987 4.985 1.00 43.21 H new ATOM 0 HB3 ALA A 54 1.925 -4.694 6.320 1.00 43.21 H new ATOM 859 N VAL A 55 -1.417 -3.873 4.477 1.00 22.14 N ATOM 860 CA VAL A 55 -2.743 -4.419 4.700 1.00 64.32 C ATOM 861 C VAL A 55 -2.659 -5.938 4.695 1.00 13.32 C ATOM 862 O VAL A 55 -1.689 -6.520 4.207 1.00 43.00 O ATOM 863 CB VAL A 55 -3.772 -3.961 3.644 1.00 60.22 C ATOM 864 CG1 VAL A 55 -5.195 -4.153 4.148 1.00 42.01 C ATOM 865 CG2 VAL A 55 -3.538 -2.511 3.249 1.00 40.15 C ATOM 0 H VAL A 55 -1.236 -3.559 3.523 1.00 22.14 H new ATOM 0 HA VAL A 55 -3.090 -4.046 5.664 1.00 64.32 H new ATOM 0 HB VAL A 55 -3.638 -4.583 2.759 1.00 60.22 H new ATOM 0 HG11 VAL A 55 -5.899 -3.822 3.384 1.00 42.01 H new ATOM 0 HG12 VAL A 55 -5.365 -5.207 4.366 1.00 42.01 H new ATOM 0 HG13 VAL A 55 -5.342 -3.567 5.055 1.00 42.01 H new ATOM 0 HG21 VAL A 55 -4.276 -2.213 2.504 1.00 40.15 H new ATOM 0 HG22 VAL A 55 -3.633 -1.874 4.129 1.00 40.15 H new ATOM 0 HG23 VAL A 55 -2.537 -2.405 2.831 1.00 40.15 H new