USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 366 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 3 ASN : amide:sc= -0.342 X(o=-0.77,f=-0.61) USER MOD Set 1.2: A 4 GLN : amide:sc= -0.426 K(o=-0.77,f=-11!) USER MOD Single : A 1 PHE N :NH3+ -152:sc= 0.0544 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.3) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.175 USER MOD Single : A 27 THR OG1 : rot -91:sc= 0.261 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.0456 X(o=-0.046,f=-0.31) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.567! USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.143 K(o=-0.14,f=-2.5!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 165:sc= -0.737 USER MOD Single : A 50 ASN : amide:sc= -0.339 X(o=-0.34,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 11.602 1.231 -2.536 1.00 0.00 N ATOM 2 CA PHE A 1 10.225 1.178 -3.103 1.00 0.00 C ATOM 3 C PHE A 1 9.765 2.596 -3.450 1.00 0.00 C ATOM 4 O PHE A 1 10.568 3.480 -3.672 1.00 0.00 O ATOM 5 CB PHE A 1 9.271 0.569 -2.073 1.00 0.00 C ATOM 6 CG PHE A 1 8.161 -0.167 -2.783 1.00 0.00 C ATOM 7 CD1 PHE A 1 8.460 -1.044 -3.835 1.00 0.00 C ATOM 8 CD2 PHE A 1 6.829 0.023 -2.389 1.00 0.00 C ATOM 9 CE1 PHE A 1 7.429 -1.729 -4.493 1.00 0.00 C ATOM 10 CE2 PHE A 1 5.798 -0.661 -3.045 1.00 0.00 C ATOM 11 CZ PHE A 1 6.097 -1.537 -4.097 1.00 0.00 C ATOM 0 H1 PHE A 1 12.094 0.336 -2.734 1.00 0.00 H new ATOM 0 H2 PHE A 1 12.126 2.018 -2.970 1.00 0.00 H new ATOM 0 H3 PHE A 1 11.549 1.376 -1.508 1.00 0.00 H new ATOM 0 HA PHE A 1 10.225 0.564 -4.003 1.00 0.00 H new ATOM 0 HB2 PHE A 1 9.814 -0.114 -1.419 1.00 0.00 H new ATOM 0 HB3 PHE A 1 8.855 1.353 -1.440 1.00 0.00 H new ATOM 0 HD1 PHE A 1 9.486 -1.192 -4.139 1.00 0.00 H new ATOM 0 HD2 PHE A 1 6.598 0.698 -1.578 1.00 0.00 H new ATOM 0 HE1 PHE A 1 7.660 -2.404 -5.304 1.00 0.00 H new ATOM 0 HE2 PHE A 1 4.773 -0.513 -2.740 1.00 0.00 H new ATOM 0 HZ PHE A 1 5.302 -2.064 -4.603 1.00 0.00 H new ATOM 23 N VAL A 2 8.481 2.818 -3.501 1.00 0.00 N ATOM 24 CA VAL A 2 7.979 4.180 -3.836 1.00 0.00 C ATOM 25 C VAL A 2 7.814 5.000 -2.553 1.00 0.00 C ATOM 26 O VAL A 2 7.125 4.604 -1.633 1.00 0.00 O ATOM 27 CB VAL A 2 6.628 4.066 -4.547 1.00 0.00 C ATOM 28 CG1 VAL A 2 6.754 3.115 -5.740 1.00 0.00 C ATOM 29 CG2 VAL A 2 5.586 3.521 -3.569 1.00 0.00 C ATOM 0 H VAL A 2 7.760 2.118 -3.326 1.00 0.00 H new ATOM 0 HA VAL A 2 8.695 4.677 -4.491 1.00 0.00 H new ATOM 0 HB VAL A 2 6.319 5.050 -4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.791 3.035 -6.245 1.00 0.00 H new ATOM 0 HG12 VAL A 2 7.498 3.502 -6.436 1.00 0.00 H new ATOM 0 HG13 VAL A 2 7.063 2.130 -5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.623 3.439 -4.072 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.897 2.537 -3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.495 4.198 -2.720 1.00 0.00 H new ATOM 39 N ASN A 3 8.440 6.144 -2.489 1.00 0.00 N ATOM 40 CA ASN A 3 8.324 6.998 -1.271 1.00 0.00 C ATOM 41 C ASN A 3 7.518 8.255 -1.615 1.00 0.00 C ATOM 42 O ASN A 3 7.838 9.346 -1.188 1.00 0.00 O ATOM 43 CB ASN A 3 9.722 7.408 -0.794 1.00 0.00 C ATOM 44 CG ASN A 3 10.675 7.477 -1.989 1.00 0.00 C ATOM 45 OD1 ASN A 3 11.343 6.514 -2.305 1.00 0.00 O ATOM 46 ND2 ASN A 3 10.765 8.585 -2.673 1.00 0.00 N ATOM 0 H ASN A 3 9.029 6.525 -3.230 1.00 0.00 H new ATOM 0 HA ASN A 3 7.822 6.440 -0.481 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.677 8.376 -0.296 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.092 6.690 -0.062 1.00 0.00 H new ATOM 0 HD21 ASN A 3 11.396 8.641 -3.472 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.204 9.395 -2.408 1.00 0.00 H new ATOM 53 N GLN A 4 6.477 8.109 -2.392 1.00 0.00 N ATOM 54 CA GLN A 4 5.656 9.294 -2.772 1.00 0.00 C ATOM 55 C GLN A 4 4.171 8.914 -2.769 1.00 0.00 C ATOM 56 O GLN A 4 3.787 7.889 -2.240 1.00 0.00 O ATOM 57 CB GLN A 4 6.066 9.754 -4.174 1.00 0.00 C ATOM 58 CG GLN A 4 6.370 8.529 -5.037 1.00 0.00 C ATOM 59 CD GLN A 4 7.882 8.397 -5.225 1.00 0.00 C ATOM 60 OE1 GLN A 4 8.571 7.883 -4.366 1.00 0.00 O ATOM 61 NE2 GLN A 4 8.433 8.842 -6.322 1.00 0.00 N ATOM 0 H GLN A 4 6.161 7.220 -2.779 1.00 0.00 H new ATOM 0 HA GLN A 4 5.819 10.100 -2.057 1.00 0.00 H new ATOM 0 HB2 GLN A 4 5.267 10.342 -4.625 1.00 0.00 H new ATOM 0 HB3 GLN A 4 6.943 10.399 -4.116 1.00 0.00 H new ATOM 0 HG2 GLN A 4 5.972 7.631 -4.565 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.880 8.623 -6.006 1.00 0.00 H new ATOM 0 HE21 GLN A 4 7.856 9.274 -7.044 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.441 8.758 -6.457 1.00 0.00 H new ATOM 70 N HIS A 5 3.331 9.730 -3.354 1.00 0.00 N ATOM 71 CA HIS A 5 1.876 9.410 -3.383 1.00 0.00 C ATOM 72 C HIS A 5 1.688 7.945 -3.783 1.00 0.00 C ATOM 73 O HIS A 5 2.626 7.265 -4.149 1.00 0.00 O ATOM 74 CB HIS A 5 1.168 10.304 -4.404 1.00 0.00 C ATOM 75 CG HIS A 5 1.639 11.725 -4.252 1.00 0.00 C ATOM 76 ND1 HIS A 5 2.135 12.434 -5.326 1.00 0.00 N ATOM 77 CD2 HIS A 5 1.681 12.551 -3.162 1.00 0.00 C ATOM 78 CE1 HIS A 5 2.457 13.651 -4.867 1.00 0.00 C ATOM 79 NE2 HIS A 5 2.197 13.770 -3.548 1.00 0.00 N ATOM 0 H HIS A 5 3.592 10.603 -3.812 1.00 0.00 H new ATOM 0 HA HIS A 5 1.451 9.582 -2.394 1.00 0.00 H new ATOM 0 HB2 HIS A 5 1.372 9.950 -5.414 1.00 0.00 H new ATOM 0 HB3 HIS A 5 0.089 10.252 -4.260 1.00 0.00 H new ATOM 0 HD2 HIS A 5 1.362 12.291 -2.163 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.873 14.439 -5.477 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.350 14.589 -2.960 1.00 0.00 H new ATOM 87 N LEU A 6 0.482 7.452 -3.715 1.00 0.00 N ATOM 88 CA LEU A 6 0.241 6.030 -4.089 1.00 0.00 C ATOM 89 C LEU A 6 -1.151 5.883 -4.693 1.00 0.00 C ATOM 90 O LEU A 6 -1.311 5.620 -5.868 1.00 0.00 O ATOM 91 CB LEU A 6 0.348 5.155 -2.837 1.00 0.00 C ATOM 92 CG LEU A 6 0.942 3.796 -3.205 1.00 0.00 C ATOM 93 CD1 LEU A 6 2.272 3.995 -3.932 1.00 0.00 C ATOM 94 CD2 LEU A 6 1.180 2.984 -1.930 1.00 0.00 C ATOM 0 H LEU A 6 -0.345 7.970 -3.418 1.00 0.00 H new ATOM 0 HA LEU A 6 0.984 5.718 -4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.974 5.646 -2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.637 5.023 -2.389 1.00 0.00 H new ATOM 0 HG LEU A 6 0.249 3.264 -3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.693 3.024 -4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.107 4.575 -4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.966 4.528 -3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.604 2.014 -2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.872 3.520 -1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.234 2.839 -1.409 1.00 0.00 H new ATOM 106 N CYS A 7 -2.157 6.045 -3.890 1.00 0.00 N ATOM 107 CA CYS A 7 -3.550 5.910 -4.396 1.00 0.00 C ATOM 108 C CYS A 7 -3.795 4.461 -4.815 1.00 0.00 C ATOM 109 O CYS A 7 -2.899 3.784 -5.279 1.00 0.00 O ATOM 110 CB CYS A 7 -3.757 6.835 -5.596 1.00 0.00 C ATOM 111 SG CYS A 7 -5.334 7.709 -5.413 1.00 0.00 S ATOM 0 H CYS A 7 -2.077 6.267 -2.898 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.251 6.187 -3.609 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.937 7.550 -5.664 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.753 6.257 -6.520 1.00 0.00 H new ATOM 116 N GLY A 8 -5.001 3.987 -4.637 1.00 0.00 N ATOM 117 CA GLY A 8 -5.338 2.576 -5.002 1.00 0.00 C ATOM 118 C GLY A 8 -4.535 2.123 -6.225 1.00 0.00 C ATOM 119 O GLY A 8 -3.908 1.082 -6.213 1.00 0.00 O ATOM 0 H GLY A 8 -5.777 4.524 -4.249 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.128 1.918 -4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.405 2.495 -5.211 1.00 0.00 H new ATOM 123 N SER A 9 -4.549 2.889 -7.280 1.00 0.00 N ATOM 124 CA SER A 9 -3.786 2.489 -8.496 1.00 0.00 C ATOM 125 C SER A 9 -2.391 2.005 -8.092 1.00 0.00 C ATOM 126 O SER A 9 -2.077 0.837 -8.190 1.00 0.00 O ATOM 127 CB SER A 9 -3.653 3.688 -9.437 1.00 0.00 C ATOM 128 OG SER A 9 -3.536 3.224 -10.776 1.00 0.00 O ATOM 0 H SER A 9 -5.054 3.772 -7.353 1.00 0.00 H new ATOM 0 HA SER A 9 -4.318 1.684 -9.004 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.522 4.339 -9.340 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.779 4.281 -9.168 1.00 0.00 H new ATOM 0 HG SER A 9 -3.452 3.990 -11.382 1.00 0.00 H new ATOM 134 N ASP A 10 -1.553 2.898 -7.643 1.00 0.00 N ATOM 135 CA ASP A 10 -0.177 2.491 -7.239 1.00 0.00 C ATOM 136 C ASP A 10 -0.221 1.814 -5.867 1.00 0.00 C ATOM 137 O ASP A 10 0.730 1.186 -5.444 1.00 0.00 O ATOM 138 CB ASP A 10 0.715 3.733 -7.167 1.00 0.00 C ATOM 139 CG ASP A 10 0.439 4.628 -8.374 1.00 0.00 C ATOM 140 OD1 ASP A 10 0.603 4.156 -9.488 1.00 0.00 O ATOM 141 OD2 ASP A 10 0.066 5.771 -8.167 1.00 0.00 O ATOM 0 H ASP A 10 -1.761 3.891 -7.538 1.00 0.00 H new ATOM 0 HA ASP A 10 0.225 1.791 -7.972 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.522 4.279 -6.244 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.765 3.440 -7.151 1.00 0.00 H new ATOM 146 N LEU A 11 -1.313 1.942 -5.168 1.00 0.00 N ATOM 147 CA LEU A 11 -1.411 1.314 -3.819 1.00 0.00 C ATOM 148 C LEU A 11 -1.487 -0.208 -3.953 1.00 0.00 C ATOM 149 O LEU A 11 -0.776 -0.933 -3.288 1.00 0.00 O ATOM 150 CB LEU A 11 -2.666 1.825 -3.108 1.00 0.00 C ATOM 151 CG LEU A 11 -2.261 2.787 -1.992 1.00 0.00 C ATOM 152 CD1 LEU A 11 -3.373 3.814 -1.769 1.00 0.00 C ATOM 153 CD2 LEU A 11 -2.031 1.997 -0.703 1.00 0.00 C ATOM 0 H LEU A 11 -2.142 2.453 -5.471 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.527 1.578 -3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.320 2.330 -3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.230 0.988 -2.695 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.344 3.305 -2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.082 4.499 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.539 4.376 -2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.292 3.300 -1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.742 2.680 0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.949 1.481 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.238 1.266 -0.861 1.00 0.00 H new ATOM 165 N VAL A 12 -2.350 -0.705 -4.798 1.00 0.00 N ATOM 166 CA VAL A 12 -2.463 -2.184 -4.948 1.00 0.00 C ATOM 167 C VAL A 12 -1.392 -2.691 -5.921 1.00 0.00 C ATOM 168 O VAL A 12 -0.753 -3.696 -5.681 1.00 0.00 O ATOM 169 CB VAL A 12 -3.867 -2.539 -5.454 1.00 0.00 C ATOM 170 CG1 VAL A 12 -4.879 -1.553 -4.871 1.00 0.00 C ATOM 171 CG2 VAL A 12 -3.920 -2.461 -6.981 1.00 0.00 C ATOM 0 H VAL A 12 -2.977 -0.156 -5.386 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.305 -2.665 -3.982 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.106 -3.555 -5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.878 -1.803 -5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.858 -1.611 -3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.624 -0.541 -5.185 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.923 -2.716 -7.324 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.673 -1.449 -7.302 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.202 -3.162 -7.406 1.00 0.00 H new ATOM 181 N GLU A 13 -1.189 -2.005 -7.015 1.00 0.00 N ATOM 182 CA GLU A 13 -0.156 -2.454 -7.992 1.00 0.00 C ATOM 183 C GLU A 13 1.159 -2.706 -7.242 1.00 0.00 C ATOM 184 O GLU A 13 1.932 -3.575 -7.592 1.00 0.00 O ATOM 185 CB GLU A 13 0.015 -1.368 -9.078 1.00 0.00 C ATOM 186 CG GLU A 13 1.498 -1.044 -9.319 1.00 0.00 C ATOM 187 CD GLU A 13 1.611 0.163 -10.251 1.00 0.00 C ATOM 188 OE1 GLU A 13 1.387 -0.008 -11.438 1.00 0.00 O ATOM 189 OE2 GLU A 13 1.919 1.237 -9.762 1.00 0.00 O ATOM 0 H GLU A 13 -1.692 -1.156 -7.273 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.459 -3.381 -8.479 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.441 -1.707 -10.008 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.512 -0.463 -8.776 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.994 -0.833 -8.372 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.003 -1.905 -9.758 1.00 0.00 H new ATOM 196 N ALA A 14 1.405 -1.958 -6.204 1.00 0.00 N ATOM 197 CA ALA A 14 2.650 -2.152 -5.418 1.00 0.00 C ATOM 198 C ALA A 14 2.400 -3.260 -4.410 1.00 0.00 C ATOM 199 O ALA A 14 3.030 -4.289 -4.462 1.00 0.00 O ATOM 200 CB ALA A 14 3.016 -0.856 -4.691 1.00 0.00 C ATOM 0 H ALA A 14 0.792 -1.216 -5.866 1.00 0.00 H new ATOM 0 HA ALA A 14 3.476 -2.420 -6.077 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.930 -1.007 -4.117 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.172 -0.061 -5.420 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.206 -0.576 -4.017 1.00 0.00 H new ATOM 206 N LEU A 15 1.456 -3.075 -3.514 1.00 0.00 N ATOM 207 CA LEU A 15 1.138 -4.151 -2.529 1.00 0.00 C ATOM 208 C LEU A 15 1.211 -5.484 -3.269 1.00 0.00 C ATOM 209 O LEU A 15 1.600 -6.499 -2.726 1.00 0.00 O ATOM 210 CB LEU A 15 -0.278 -3.943 -1.984 1.00 0.00 C ATOM 211 CG LEU A 15 -0.210 -3.242 -0.629 1.00 0.00 C ATOM 212 CD1 LEU A 15 -0.362 -1.732 -0.824 1.00 0.00 C ATOM 213 CD2 LEU A 15 -1.342 -3.755 0.264 1.00 0.00 C ATOM 0 H LEU A 15 0.896 -2.227 -3.426 1.00 0.00 H new ATOM 0 HA LEU A 15 1.840 -4.133 -1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.863 -3.347 -2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.784 -4.903 -1.883 1.00 0.00 H new ATOM 0 HG LEU A 15 0.751 -3.452 -0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.313 -1.233 0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.442 -1.365 -1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.323 -1.521 -1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.296 -3.256 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.302 -3.544 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.236 -4.831 0.404 1.00 0.00 H new ATOM 225 N TYR A 16 0.874 -5.459 -4.531 1.00 0.00 N ATOM 226 CA TYR A 16 0.954 -6.686 -5.358 1.00 0.00 C ATOM 227 C TYR A 16 2.435 -7.059 -5.483 1.00 0.00 C ATOM 228 O TYR A 16 2.846 -8.145 -5.123 1.00 0.00 O ATOM 229 CB TYR A 16 0.337 -6.397 -6.744 1.00 0.00 C ATOM 230 CG TYR A 16 1.143 -7.045 -7.849 1.00 0.00 C ATOM 231 CD1 TYR A 16 1.348 -8.429 -7.843 1.00 0.00 C ATOM 232 CD2 TYR A 16 1.682 -6.259 -8.878 1.00 0.00 C ATOM 233 CE1 TYR A 16 2.090 -9.032 -8.867 1.00 0.00 C ATOM 234 CE2 TYR A 16 2.425 -6.862 -9.902 1.00 0.00 C ATOM 235 CZ TYR A 16 2.629 -8.249 -9.897 1.00 0.00 C ATOM 236 OH TYR A 16 3.359 -8.843 -10.907 1.00 0.00 O ATOM 0 H TYR A 16 0.544 -4.629 -5.024 1.00 0.00 H new ATOM 0 HA TYR A 16 0.405 -7.512 -4.907 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.688 -6.767 -6.773 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.292 -5.320 -6.907 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.934 -9.033 -7.049 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.525 -5.191 -8.881 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.247 -10.101 -8.863 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.840 -6.258 -10.695 1.00 0.00 H new ATOM 0 HH TYR A 16 3.659 -8.158 -11.540 1.00 0.00 H new ATOM 246 N LEU A 17 3.244 -6.154 -5.974 1.00 0.00 N ATOM 247 CA LEU A 17 4.700 -6.465 -6.099 1.00 0.00 C ATOM 248 C LEU A 17 5.312 -6.503 -4.698 1.00 0.00 C ATOM 249 O LEU A 17 6.298 -7.167 -4.451 1.00 0.00 O ATOM 250 CB LEU A 17 5.396 -5.392 -6.937 1.00 0.00 C ATOM 251 CG LEU A 17 6.689 -5.968 -7.520 1.00 0.00 C ATOM 252 CD1 LEU A 17 6.373 -6.744 -8.800 1.00 0.00 C ATOM 253 CD2 LEU A 17 7.657 -4.830 -7.848 1.00 0.00 C ATOM 0 H LEU A 17 2.964 -5.225 -6.290 1.00 0.00 H new ATOM 0 HA LEU A 17 4.830 -7.429 -6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.739 -5.057 -7.740 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.617 -4.520 -6.322 1.00 0.00 H new ATOM 0 HG LEU A 17 7.145 -6.636 -6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.294 -7.154 -9.214 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.685 -7.558 -8.572 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.914 -6.074 -9.528 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.577 -5.243 -8.263 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.199 -4.161 -8.576 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.887 -4.274 -6.939 1.00 0.00 H new ATOM 265 N VAL A 18 4.711 -5.803 -3.778 1.00 0.00 N ATOM 266 CA VAL A 18 5.215 -5.790 -2.381 1.00 0.00 C ATOM 267 C VAL A 18 5.318 -7.226 -1.896 1.00 0.00 C ATOM 268 O VAL A 18 6.298 -7.638 -1.309 1.00 0.00 O ATOM 269 CB VAL A 18 4.217 -5.022 -1.513 1.00 0.00 C ATOM 270 CG1 VAL A 18 4.584 -5.160 -0.037 1.00 0.00 C ATOM 271 CG2 VAL A 18 4.242 -3.549 -1.906 1.00 0.00 C ATOM 0 H VAL A 18 3.881 -5.232 -3.939 1.00 0.00 H new ATOM 0 HA VAL A 18 6.193 -5.312 -2.324 1.00 0.00 H new ATOM 0 HB VAL A 18 3.219 -5.432 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.866 -4.609 0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.565 -6.213 0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.583 -4.757 0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.532 -2.996 -1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.244 -3.149 -1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.967 -3.448 -2.956 1.00 0.00 H new ATOM 281 N CYS A 19 4.305 -7.990 -2.157 1.00 0.00 N ATOM 282 CA CYS A 19 4.311 -9.418 -1.734 1.00 0.00 C ATOM 283 C CYS A 19 4.402 -10.310 -2.975 1.00 0.00 C ATOM 284 O CYS A 19 5.442 -10.857 -3.282 1.00 0.00 O ATOM 285 CB CYS A 19 3.026 -9.734 -0.968 1.00 0.00 C ATOM 286 SG CYS A 19 2.787 -8.509 0.340 1.00 0.00 S ATOM 0 H CYS A 19 3.464 -7.689 -2.649 1.00 0.00 H new ATOM 0 HA CYS A 19 5.168 -9.603 -1.086 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.174 -9.727 -1.648 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.083 -10.734 -0.538 1.00 0.00 H new ATOM 291 N GLY A 20 3.323 -10.454 -3.695 1.00 0.00 N ATOM 292 CA GLY A 20 3.350 -11.305 -4.918 1.00 0.00 C ATOM 293 C GLY A 20 2.764 -12.684 -4.605 1.00 0.00 C ATOM 294 O GLY A 20 2.642 -13.526 -5.471 1.00 0.00 O ATOM 0 H GLY A 20 2.424 -10.019 -3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.779 -10.830 -5.715 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.374 -11.408 -5.278 1.00 0.00 H new ATOM 298 N GLU A 21 2.398 -12.921 -3.376 1.00 0.00 N ATOM 299 CA GLU A 21 1.816 -14.246 -3.017 1.00 0.00 C ATOM 300 C GLU A 21 0.295 -14.184 -3.167 1.00 0.00 C ATOM 301 O GLU A 21 -0.255 -14.575 -4.178 1.00 0.00 O ATOM 302 CB GLU A 21 2.175 -14.585 -1.568 1.00 0.00 C ATOM 303 CG GLU A 21 3.088 -15.813 -1.541 1.00 0.00 C ATOM 304 CD GLU A 21 4.522 -15.390 -1.864 1.00 0.00 C ATOM 305 OE1 GLU A 21 5.235 -15.030 -0.942 1.00 0.00 O ATOM 306 OE2 GLU A 21 4.885 -15.434 -3.028 1.00 0.00 O ATOM 0 H GLU A 21 2.476 -12.257 -2.606 1.00 0.00 H new ATOM 0 HA GLU A 21 2.217 -15.015 -3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.674 -13.737 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.269 -14.780 -0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.049 -16.286 -0.560 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.744 -16.551 -2.265 1.00 0.00 H new ATOM 313 N ARG A 22 -0.387 -13.686 -2.173 1.00 0.00 N ATOM 314 CA ARG A 22 -1.871 -13.589 -2.263 1.00 0.00 C ATOM 315 C ARG A 22 -2.255 -12.145 -2.590 1.00 0.00 C ATOM 316 O ARG A 22 -3.156 -11.585 -1.999 1.00 0.00 O ATOM 317 CB ARG A 22 -2.490 -13.984 -0.921 1.00 0.00 C ATOM 318 CG ARG A 22 -3.507 -15.105 -1.135 1.00 0.00 C ATOM 319 CD ARG A 22 -4.183 -15.436 0.196 1.00 0.00 C ATOM 320 NE ARG A 22 -3.199 -16.093 1.101 1.00 0.00 N ATOM 321 CZ ARG A 22 -2.777 -17.297 0.838 1.00 0.00 C ATOM 322 NH1 ARG A 22 -3.639 -18.252 0.619 1.00 0.00 N ATOM 323 NH2 ARG A 22 -1.497 -17.545 0.793 1.00 0.00 N ATOM 0 H ARG A 22 0.019 -13.342 -1.303 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.237 -14.257 -3.042 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.711 -14.312 -0.233 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.975 -13.121 -0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.253 -14.799 -1.869 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.011 -15.990 -1.534 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.567 -14.526 0.657 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.036 -16.094 0.030 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.856 -15.601 1.926 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.639 -18.054 0.654 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.313 -19.196 0.413 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.826 -16.796 0.964 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.167 -18.488 0.587 1.00 0.00 H new ATOM 337 N GLY A 23 -1.570 -11.536 -3.519 1.00 0.00 N ATOM 338 CA GLY A 23 -1.890 -10.126 -3.869 1.00 0.00 C ATOM 339 C GLY A 23 -1.683 -9.247 -2.636 1.00 0.00 C ATOM 340 O GLY A 23 -0.627 -8.681 -2.436 1.00 0.00 O ATOM 0 H GLY A 23 -0.805 -11.954 -4.049 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.252 -9.787 -4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.920 -10.049 -4.217 1.00 0.00 H new ATOM 344 N PHE A 24 -2.680 -9.141 -1.801 1.00 0.00 N ATOM 345 CA PHE A 24 -2.545 -8.310 -0.571 1.00 0.00 C ATOM 346 C PHE A 24 -3.903 -8.209 0.129 1.00 0.00 C ATOM 347 O PHE A 24 -4.903 -8.688 -0.365 1.00 0.00 O ATOM 348 CB PHE A 24 -2.066 -6.906 -0.947 1.00 0.00 C ATOM 349 CG PHE A 24 -2.657 -6.517 -2.283 1.00 0.00 C ATOM 350 CD1 PHE A 24 -4.027 -6.238 -2.392 1.00 0.00 C ATOM 351 CD2 PHE A 24 -1.836 -6.437 -3.415 1.00 0.00 C ATOM 352 CE1 PHE A 24 -4.572 -5.880 -3.633 1.00 0.00 C ATOM 353 CE2 PHE A 24 -2.382 -6.079 -4.652 1.00 0.00 C ATOM 354 CZ PHE A 24 -3.748 -5.800 -4.762 1.00 0.00 C ATOM 0 H PHE A 24 -3.585 -9.596 -1.918 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.821 -8.774 0.098 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.366 -6.190 -0.182 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.977 -6.882 -0.997 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.662 -6.299 -1.520 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.781 -6.652 -3.333 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.627 -5.666 -3.718 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.748 -6.018 -5.524 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.167 -5.523 -5.718 1.00 0.00 H new ATOM 364 N PHE A 25 -3.948 -7.586 1.277 1.00 0.00 N ATOM 365 CA PHE A 25 -5.244 -7.452 2.001 1.00 0.00 C ATOM 366 C PHE A 25 -5.988 -6.218 1.490 1.00 0.00 C ATOM 367 O PHE A 25 -5.742 -5.111 1.924 1.00 0.00 O ATOM 368 CB PHE A 25 -4.984 -7.292 3.498 1.00 0.00 C ATOM 369 CG PHE A 25 -6.280 -6.944 4.190 1.00 0.00 C ATOM 370 CD1 PHE A 25 -7.484 -7.502 3.738 1.00 0.00 C ATOM 371 CD2 PHE A 25 -6.281 -6.064 5.280 1.00 0.00 C ATOM 372 CE1 PHE A 25 -8.688 -7.179 4.377 1.00 0.00 C ATOM 373 CE2 PHE A 25 -7.486 -5.741 5.918 1.00 0.00 C ATOM 374 CZ PHE A 25 -8.690 -6.299 5.467 1.00 0.00 C ATOM 0 H PHE A 25 -3.144 -7.165 1.743 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.845 -8.345 1.827 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.574 -8.215 3.909 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.244 -6.510 3.670 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -7.483 -8.180 2.898 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.353 -5.635 5.628 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.616 -7.609 4.029 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.487 -5.062 6.758 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.619 -6.051 5.959 1.00 0.00 H new ATOM 384 N TYR A 26 -6.894 -6.397 0.570 1.00 0.00 N ATOM 385 CA TYR A 26 -7.651 -5.230 0.034 1.00 0.00 C ATOM 386 C TYR A 26 -9.154 -5.499 0.142 1.00 0.00 C ATOM 387 O TYR A 26 -9.631 -6.560 -0.206 1.00 0.00 O ATOM 388 CB TYR A 26 -7.274 -5.013 -1.432 1.00 0.00 C ATOM 389 CG TYR A 26 -6.803 -3.593 -1.620 1.00 0.00 C ATOM 390 CD1 TYR A 26 -5.462 -3.262 -1.388 1.00 0.00 C ATOM 391 CD2 TYR A 26 -7.709 -2.602 -2.022 1.00 0.00 C ATOM 392 CE1 TYR A 26 -5.027 -1.941 -1.558 1.00 0.00 C ATOM 393 CE2 TYR A 26 -7.275 -1.282 -2.193 1.00 0.00 C ATOM 394 CZ TYR A 26 -5.934 -0.950 -1.960 1.00 0.00 C ATOM 395 OH TYR A 26 -5.506 0.350 -2.130 1.00 0.00 O ATOM 0 H TYR A 26 -7.143 -7.300 0.166 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.403 -4.339 0.611 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.489 -5.710 -1.725 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.133 -5.212 -2.074 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.763 -4.025 -1.078 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.743 -2.857 -2.200 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.993 -1.686 -1.379 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -7.974 -0.520 -2.504 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.260 0.909 -2.412 1.00 0.00 H new ATOM 405 N THR A 27 -9.905 -4.543 0.621 1.00 0.00 N ATOM 406 CA THR A 27 -11.375 -4.746 0.749 1.00 0.00 C ATOM 407 C THR A 27 -12.112 -3.587 0.076 1.00 0.00 C ATOM 408 O THR A 27 -12.839 -3.776 -0.879 1.00 0.00 O ATOM 409 CB THR A 27 -11.757 -4.798 2.231 1.00 0.00 C ATOM 410 OG1 THR A 27 -10.599 -5.070 3.008 1.00 0.00 O ATOM 411 CG2 THR A 27 -12.793 -5.901 2.453 1.00 0.00 C ATOM 0 H THR A 27 -9.563 -3.632 0.928 1.00 0.00 H new ATOM 0 HA THR A 27 -11.654 -5.683 0.267 1.00 0.00 H new ATOM 0 HB THR A 27 -12.179 -3.839 2.532 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.503 -6.038 3.124 1.00 0.00 H new ATOM 0 HG21 THR A 27 -13.065 -5.938 3.508 1.00 0.00 H new ATOM 0 HG22 THR A 27 -13.681 -5.691 1.857 1.00 0.00 H new ATOM 0 HG23 THR A 27 -12.373 -6.861 2.153 1.00 0.00 H new ATOM 419 N ASP A 28 -11.936 -2.391 0.565 1.00 0.00 N ATOM 420 CA ASP A 28 -12.633 -1.227 -0.051 1.00 0.00 C ATOM 421 C ASP A 28 -12.128 0.071 0.581 1.00 0.00 C ATOM 422 O ASP A 28 -12.881 0.820 1.172 1.00 0.00 O ATOM 423 CB ASP A 28 -14.139 -1.358 0.181 1.00 0.00 C ATOM 424 CG ASP A 28 -14.872 -0.268 -0.601 1.00 0.00 C ATOM 425 OD1 ASP A 28 -14.646 -0.168 -1.796 1.00 0.00 O ATOM 426 OD2 ASP A 28 -15.648 0.449 0.008 1.00 0.00 O ATOM 0 H ASP A 28 -11.341 -2.169 1.363 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.429 -1.207 -1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.482 -2.342 -0.137 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.363 -1.271 1.244 1.00 0.00 H new ATOM 431 N LYS A 29 -10.860 0.345 0.455 1.00 0.00 N ATOM 432 CA LYS A 29 -10.301 1.596 1.040 1.00 0.00 C ATOM 433 C LYS A 29 -10.224 1.479 2.559 1.00 0.00 C ATOM 434 O LYS A 29 -10.191 0.400 3.118 1.00 0.00 O ATOM 435 CB LYS A 29 -11.186 2.786 0.672 1.00 0.00 C ATOM 436 CG LYS A 29 -11.550 2.715 -0.814 1.00 0.00 C ATOM 437 CD LYS A 29 -12.639 3.744 -1.125 1.00 0.00 C ATOM 438 CE LYS A 29 -12.420 4.312 -2.529 1.00 0.00 C ATOM 439 NZ LYS A 29 -13.727 4.395 -3.242 1.00 0.00 N ATOM 0 H LYS A 29 -10.184 -0.245 -0.030 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.299 1.748 0.638 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.091 2.781 1.279 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.665 3.719 0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.668 2.908 -1.425 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.899 1.714 -1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.623 3.279 -1.059 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.616 4.547 -0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.965 5.300 -2.466 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.730 3.678 -3.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.578 4.781 -4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.144 3.445 -3.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.372 5.017 -2.714 1.00 0.00 H new ATOM 453 N GLY A 30 -10.167 2.595 3.223 1.00 0.00 N ATOM 454 CA GLY A 30 -10.059 2.587 4.706 1.00 0.00 C ATOM 455 C GLY A 30 -8.633 2.985 5.074 1.00 0.00 C ATOM 456 O GLY A 30 -8.159 2.720 6.161 1.00 0.00 O ATOM 0 H GLY A 30 -10.191 3.522 2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.775 3.283 5.144 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.293 1.598 5.100 1.00 0.00 H new ATOM 460 N ILE A 31 -7.949 3.619 4.158 1.00 0.00 N ATOM 461 CA ILE A 31 -6.542 4.041 4.424 1.00 0.00 C ATOM 462 C ILE A 31 -5.872 4.532 3.127 1.00 0.00 C ATOM 463 O ILE A 31 -4.797 5.098 3.159 1.00 0.00 O ATOM 464 CB ILE A 31 -5.757 2.855 4.999 1.00 0.00 C ATOM 465 CG1 ILE A 31 -4.255 3.184 5.024 1.00 0.00 C ATOM 466 CG2 ILE A 31 -6.010 1.605 4.148 1.00 0.00 C ATOM 467 CD1 ILE A 31 -3.605 2.858 3.674 1.00 0.00 C ATOM 0 H ILE A 31 -8.305 3.863 3.234 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.547 4.861 5.142 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.092 2.663 6.018 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.113 4.240 5.256 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.766 2.615 5.815 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.451 0.765 4.560 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.074 1.370 4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.685 1.790 3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.543 3.098 3.714 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.729 1.797 3.457 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.081 3.447 2.890 1.00 0.00 H new ATOM 479 N VAL A 32 -6.492 4.333 1.988 1.00 0.00 N ATOM 480 CA VAL A 32 -5.883 4.801 0.714 1.00 0.00 C ATOM 481 C VAL A 32 -5.898 6.327 0.700 1.00 0.00 C ATOM 482 O VAL A 32 -5.099 6.963 0.042 1.00 0.00 O ATOM 483 CB VAL A 32 -6.701 4.264 -0.467 1.00 0.00 C ATOM 484 CG1 VAL A 32 -8.193 4.425 -0.165 1.00 0.00 C ATOM 485 CG2 VAL A 32 -6.354 5.049 -1.738 1.00 0.00 C ATOM 0 H VAL A 32 -7.394 3.866 1.891 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.858 4.440 0.631 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.467 3.210 -0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.777 4.044 -1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.444 3.866 0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.422 5.480 -0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.938 4.664 -2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.586 6.104 -1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.292 4.938 -1.955 1.00 0.00 H new ATOM 495 N GLU A 33 -6.804 6.919 1.427 1.00 0.00 N ATOM 496 CA GLU A 33 -6.865 8.401 1.457 1.00 0.00 C ATOM 497 C GLU A 33 -5.631 8.939 2.184 1.00 0.00 C ATOM 498 O GLU A 33 -5.372 10.125 2.198 1.00 0.00 O ATOM 499 CB GLU A 33 -8.131 8.857 2.188 1.00 0.00 C ATOM 500 CG GLU A 33 -9.364 8.444 1.381 1.00 0.00 C ATOM 501 CD GLU A 33 -10.626 8.950 2.083 1.00 0.00 C ATOM 502 OE1 GLU A 33 -10.641 8.956 3.302 1.00 0.00 O ATOM 503 OE2 GLU A 33 -11.558 9.323 1.387 1.00 0.00 O ATOM 0 H GLU A 33 -7.501 6.441 1.998 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.888 8.784 0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.169 8.413 3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.117 9.939 2.322 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.306 8.855 0.373 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.400 7.359 1.282 1.00 0.00 H new ATOM 510 N GLN A 34 -4.868 8.069 2.791 1.00 0.00 N ATOM 511 CA GLN A 34 -3.651 8.518 3.522 1.00 0.00 C ATOM 512 C GLN A 34 -2.415 8.270 2.654 1.00 0.00 C ATOM 513 O GLN A 34 -1.332 8.734 2.951 1.00 0.00 O ATOM 514 CB GLN A 34 -3.526 7.722 4.824 1.00 0.00 C ATOM 515 CG GLN A 34 -2.675 8.500 5.828 1.00 0.00 C ATOM 516 CD GLN A 34 -3.103 8.123 7.247 1.00 0.00 C ATOM 517 OE1 GLN A 34 -4.265 8.219 7.588 1.00 0.00 O ATOM 518 NE2 GLN A 34 -2.209 7.693 8.096 1.00 0.00 N ATOM 0 H GLN A 34 -5.037 7.063 2.811 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.729 9.582 3.747 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.515 7.533 5.241 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.073 6.751 4.625 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.619 8.273 5.681 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.795 9.572 5.672 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.233 7.612 7.811 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.487 7.438 9.044 1.00 0.00 H new ATOM 527 N CYS A 35 -2.567 7.537 1.585 1.00 0.00 N ATOM 528 CA CYS A 35 -1.400 7.255 0.705 1.00 0.00 C ATOM 529 C CYS A 35 -1.645 7.846 -0.686 1.00 0.00 C ATOM 530 O CYS A 35 -0.774 7.846 -1.532 1.00 0.00 O ATOM 531 CB CYS A 35 -1.201 5.742 0.601 1.00 0.00 C ATOM 532 SG CYS A 35 -0.570 5.111 2.176 1.00 0.00 S ATOM 0 H CYS A 35 -3.449 7.122 1.284 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.505 7.710 1.129 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.145 5.256 0.353 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.502 5.510 -0.203 1.00 0.00 H new ATOM 537 N CYS A 36 -2.822 8.359 -0.930 1.00 0.00 N ATOM 538 CA CYS A 36 -3.111 8.956 -2.266 1.00 0.00 C ATOM 539 C CYS A 36 -2.860 10.465 -2.208 1.00 0.00 C ATOM 540 O CYS A 36 -2.704 11.119 -3.220 1.00 0.00 O ATOM 541 CB CYS A 36 -4.569 8.695 -2.649 1.00 0.00 C ATOM 542 SG CYS A 36 -4.878 9.341 -4.314 1.00 0.00 S ATOM 0 H CYS A 36 -3.594 8.390 -0.264 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.460 8.502 -3.013 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -4.779 7.626 -2.617 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.236 9.173 -1.932 1.00 0.00 H new ATOM 547 N THR A 37 -2.821 11.022 -1.027 1.00 0.00 N ATOM 548 CA THR A 37 -2.578 12.487 -0.896 1.00 0.00 C ATOM 549 C THR A 37 -1.212 12.718 -0.247 1.00 0.00 C ATOM 550 O THR A 37 -0.325 13.308 -0.832 1.00 0.00 O ATOM 551 CB THR A 37 -3.667 13.110 -0.020 1.00 0.00 C ATOM 552 OG1 THR A 37 -3.369 12.865 1.348 1.00 0.00 O ATOM 553 CG2 THR A 37 -5.020 12.489 -0.370 1.00 0.00 C ATOM 0 H THR A 37 -2.947 10.524 -0.146 1.00 0.00 H new ATOM 0 HA THR A 37 -2.598 12.948 -1.883 1.00 0.00 H new ATOM 0 HB THR A 37 -3.707 14.185 -0.196 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.064 13.265 1.911 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.796 12.932 0.254 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.246 12.677 -1.419 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.983 11.414 -0.194 1.00 0.00 H new ATOM 561 N SER A 38 -1.038 12.255 0.961 1.00 0.00 N ATOM 562 CA SER A 38 0.266 12.442 1.656 1.00 0.00 C ATOM 563 C SER A 38 1.268 11.406 1.141 1.00 0.00 C ATOM 564 O SER A 38 1.224 11.001 -0.004 1.00 0.00 O ATOM 565 CB SER A 38 0.068 12.255 3.161 1.00 0.00 C ATOM 566 OG SER A 38 0.898 13.171 3.862 1.00 0.00 O ATOM 0 H SER A 38 -1.746 11.754 1.498 1.00 0.00 H new ATOM 0 HA SER A 38 0.646 13.445 1.460 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.977 12.418 3.425 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.313 11.232 3.447 1.00 0.00 H new ATOM 0 HG SER A 38 0.772 13.054 4.827 1.00 0.00 H new ATOM 572 N ILE A 39 2.172 10.972 1.978 1.00 0.00 N ATOM 573 CA ILE A 39 3.172 9.960 1.536 1.00 0.00 C ATOM 574 C ILE A 39 2.916 8.643 2.273 1.00 0.00 C ATOM 575 O ILE A 39 2.891 8.592 3.487 1.00 0.00 O ATOM 576 CB ILE A 39 4.581 10.463 1.852 1.00 0.00 C ATOM 577 CG1 ILE A 39 4.765 11.859 1.253 1.00 0.00 C ATOM 578 CG2 ILE A 39 5.613 9.508 1.248 1.00 0.00 C ATOM 579 CD1 ILE A 39 4.338 11.849 -0.217 1.00 0.00 C ATOM 0 H ILE A 39 2.260 11.275 2.948 1.00 0.00 H new ATOM 0 HA ILE A 39 3.081 9.799 0.462 1.00 0.00 H new ATOM 0 HB ILE A 39 4.719 10.507 2.932 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.172 12.585 1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.807 12.167 1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.617 9.867 1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.480 8.513 1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.478 9.463 0.167 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.470 12.844 -0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.950 11.135 -0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.289 11.560 -0.289 1.00 0.00 H new ATOM 591 N CYS A 40 2.715 7.577 1.546 1.00 0.00 N ATOM 592 CA CYS A 40 2.449 6.263 2.197 1.00 0.00 C ATOM 593 C CYS A 40 3.620 5.877 3.104 1.00 0.00 C ATOM 594 O CYS A 40 4.364 6.716 3.572 1.00 0.00 O ATOM 595 CB CYS A 40 2.266 5.193 1.119 1.00 0.00 C ATOM 596 SG CYS A 40 1.028 3.989 1.661 1.00 0.00 S ATOM 0 H CYS A 40 2.724 7.560 0.526 1.00 0.00 H new ATOM 0 HA CYS A 40 1.544 6.340 2.800 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.953 5.655 0.183 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.214 4.692 0.925 1.00 0.00 H new ATOM 601 N SER A 41 3.788 4.606 3.351 1.00 0.00 N ATOM 602 CA SER A 41 4.900 4.144 4.218 1.00 0.00 C ATOM 603 C SER A 41 5.134 2.662 3.943 1.00 0.00 C ATOM 604 O SER A 41 4.478 1.814 4.512 1.00 0.00 O ATOM 605 CB SER A 41 4.526 4.339 5.689 1.00 0.00 C ATOM 606 OG SER A 41 5.602 4.977 6.365 1.00 0.00 O ATOM 0 H SER A 41 3.194 3.863 2.983 1.00 0.00 H new ATOM 0 HA SER A 41 5.803 4.717 4.007 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.622 4.942 5.770 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.310 3.376 6.152 1.00 0.00 H new ATOM 0 HG SER A 41 5.366 5.105 7.307 1.00 0.00 H new ATOM 612 N LEU A 42 6.053 2.360 3.058 1.00 0.00 N ATOM 613 CA LEU A 42 6.360 0.938 2.696 1.00 0.00 C ATOM 614 C LEU A 42 6.012 0.004 3.862 1.00 0.00 C ATOM 615 O LEU A 42 5.422 -1.038 3.680 1.00 0.00 O ATOM 616 CB LEU A 42 7.862 0.819 2.377 1.00 0.00 C ATOM 617 CG LEU A 42 8.181 -0.361 1.426 1.00 0.00 C ATOM 618 CD1 LEU A 42 9.183 -1.297 2.102 1.00 0.00 C ATOM 619 CD2 LEU A 42 6.925 -1.167 1.062 1.00 0.00 C ATOM 0 H LEU A 42 6.614 3.052 2.561 1.00 0.00 H new ATOM 0 HA LEU A 42 5.766 0.651 1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.208 1.748 1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.417 0.691 3.306 1.00 0.00 H new ATOM 0 HG LEU A 42 8.593 0.059 0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.410 -2.129 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.099 -0.750 2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.755 -1.680 3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.198 -1.984 0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.478 -1.574 1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.206 -0.516 0.565 1.00 0.00 H new ATOM 631 N TYR A 43 6.355 0.379 5.062 1.00 0.00 N ATOM 632 CA TYR A 43 6.029 -0.489 6.228 1.00 0.00 C ATOM 633 C TYR A 43 4.511 -0.531 6.421 1.00 0.00 C ATOM 634 O TYR A 43 3.895 -1.571 6.322 1.00 0.00 O ATOM 635 CB TYR A 43 6.692 0.070 7.488 1.00 0.00 C ATOM 636 CG TYR A 43 6.966 -1.058 8.454 1.00 0.00 C ATOM 637 CD1 TYR A 43 7.599 -2.223 8.004 1.00 0.00 C ATOM 638 CD2 TYR A 43 6.587 -0.941 9.798 1.00 0.00 C ATOM 639 CE1 TYR A 43 7.853 -3.271 8.897 1.00 0.00 C ATOM 640 CE2 TYR A 43 6.840 -1.990 10.692 1.00 0.00 C ATOM 641 CZ TYR A 43 7.475 -3.155 10.240 1.00 0.00 C ATOM 642 OH TYR A 43 7.724 -4.190 11.119 1.00 0.00 O ATOM 0 H TYR A 43 6.845 1.245 5.286 1.00 0.00 H new ATOM 0 HA TYR A 43 6.401 -1.497 6.045 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.622 0.575 7.229 1.00 0.00 H new ATOM 0 HB3 TYR A 43 6.045 0.813 7.954 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.891 -2.313 6.968 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.100 -0.042 10.145 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.341 -4.170 8.550 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.546 -1.901 11.727 1.00 0.00 H new ATOM 0 HH TYR A 43 7.400 -3.947 12.011 1.00 0.00 H new ATOM 652 N GLN A 44 3.898 0.586 6.690 1.00 0.00 N ATOM 653 CA GLN A 44 2.421 0.583 6.873 1.00 0.00 C ATOM 654 C GLN A 44 1.777 -0.039 5.633 1.00 0.00 C ATOM 655 O GLN A 44 0.795 -0.750 5.716 1.00 0.00 O ATOM 656 CB GLN A 44 1.920 2.020 7.049 1.00 0.00 C ATOM 657 CG GLN A 44 1.533 2.249 8.511 1.00 0.00 C ATOM 658 CD GLN A 44 1.852 3.692 8.907 1.00 0.00 C ATOM 659 OE1 GLN A 44 2.158 4.512 8.064 1.00 0.00 O ATOM 660 NE2 GLN A 44 1.795 4.041 10.164 1.00 0.00 N ATOM 0 H GLN A 44 4.351 1.494 6.791 1.00 0.00 H new ATOM 0 HA GLN A 44 2.157 0.006 7.759 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.696 2.726 6.752 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.061 2.199 6.402 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.471 2.049 8.652 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.076 1.556 9.154 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.538 3.354 10.873 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.007 5.001 10.437 1.00 0.00 H new ATOM 669 N LEU A 45 2.335 0.220 4.483 1.00 0.00 N ATOM 670 CA LEU A 45 1.772 -0.352 3.229 1.00 0.00 C ATOM 671 C LEU A 45 2.106 -1.848 3.151 1.00 0.00 C ATOM 672 O LEU A 45 1.272 -2.658 2.801 1.00 0.00 O ATOM 673 CB LEU A 45 2.367 0.391 2.024 1.00 0.00 C ATOM 674 CG LEU A 45 2.272 -0.474 0.762 1.00 0.00 C ATOM 675 CD1 LEU A 45 2.160 0.429 -0.466 1.00 0.00 C ATOM 676 CD2 LEU A 45 3.529 -1.341 0.645 1.00 0.00 C ATOM 0 H LEU A 45 3.160 0.806 4.358 1.00 0.00 H new ATOM 0 HA LEU A 45 0.688 -0.234 3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.836 1.330 1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.409 0.643 2.222 1.00 0.00 H new ATOM 0 HG LEU A 45 1.392 -1.114 0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.092 -0.185 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.267 1.049 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.041 1.068 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.464 -1.957 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.408 -0.700 0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.611 -1.984 1.522 1.00 0.00 H new ATOM 688 N GLU A 46 3.316 -2.225 3.471 1.00 0.00 N ATOM 689 CA GLU A 46 3.679 -3.670 3.407 1.00 0.00 C ATOM 690 C GLU A 46 2.860 -4.446 4.443 1.00 0.00 C ATOM 691 O GLU A 46 2.836 -5.661 4.444 1.00 0.00 O ATOM 692 CB GLU A 46 5.184 -3.848 3.681 1.00 0.00 C ATOM 693 CG GLU A 46 5.456 -3.871 5.189 1.00 0.00 C ATOM 694 CD GLU A 46 5.558 -5.321 5.667 1.00 0.00 C ATOM 695 OE1 GLU A 46 5.855 -6.175 4.846 1.00 0.00 O ATOM 696 OE2 GLU A 46 5.335 -5.554 6.843 1.00 0.00 O ATOM 0 H GLU A 46 4.063 -1.599 3.772 1.00 0.00 H new ATOM 0 HA GLU A 46 3.458 -4.055 2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.535 -4.775 3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.743 -3.035 3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.381 -3.338 5.411 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.656 -3.357 5.722 1.00 0.00 H new ATOM 703 N ASN A 47 2.187 -3.755 5.323 1.00 0.00 N ATOM 704 CA ASN A 47 1.375 -4.460 6.353 1.00 0.00 C ATOM 705 C ASN A 47 -0.070 -4.582 5.866 1.00 0.00 C ATOM 706 O ASN A 47 -0.996 -4.643 6.650 1.00 0.00 O ATOM 707 CB ASN A 47 1.410 -3.675 7.666 1.00 0.00 C ATOM 708 CG ASN A 47 1.974 -4.563 8.777 1.00 0.00 C ATOM 709 OD1 ASN A 47 1.262 -5.363 9.352 1.00 0.00 O ATOM 710 ND2 ASN A 47 3.232 -4.456 9.106 1.00 0.00 N ATOM 0 H ASN A 47 2.165 -2.736 5.372 1.00 0.00 H new ATOM 0 HA ASN A 47 1.788 -5.455 6.520 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.025 -2.782 7.552 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.407 -3.339 7.928 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.618 -5.043 9.845 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.830 -3.785 8.624 1.00 0.00 H new ATOM 717 N TYR A 48 -0.270 -4.631 4.575 1.00 0.00 N ATOM 718 CA TYR A 48 -1.651 -4.763 4.042 1.00 0.00 C ATOM 719 C TYR A 48 -1.693 -5.974 3.114 1.00 0.00 C ATOM 720 O TYR A 48 -2.339 -5.961 2.085 1.00 0.00 O ATOM 721 CB TYR A 48 -2.027 -3.504 3.255 1.00 0.00 C ATOM 722 CG TYR A 48 -2.175 -2.333 4.197 1.00 0.00 C ATOM 723 CD1 TYR A 48 -2.928 -2.463 5.370 1.00 0.00 C ATOM 724 CD2 TYR A 48 -1.557 -1.113 3.891 1.00 0.00 C ATOM 725 CE1 TYR A 48 -3.064 -1.371 6.240 1.00 0.00 C ATOM 726 CE2 TYR A 48 -1.693 -0.022 4.759 1.00 0.00 C ATOM 727 CZ TYR A 48 -2.446 -0.151 5.934 1.00 0.00 C ATOM 728 OH TYR A 48 -2.580 0.925 6.789 1.00 0.00 O ATOM 0 H TYR A 48 0.465 -4.585 3.870 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.357 -4.889 4.863 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.261 -3.288 2.510 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.960 -3.667 2.715 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.404 -3.404 5.605 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.976 -1.014 2.986 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.645 -1.470 7.145 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.218 0.919 4.523 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.912 1.606 6.565 1.00 0.00 H new ATOM 738 N CYS A 49 -0.993 -7.018 3.465 1.00 0.00 N ATOM 739 CA CYS A 49 -0.975 -8.228 2.600 1.00 0.00 C ATOM 740 C CYS A 49 -1.652 -9.398 3.315 1.00 0.00 C ATOM 741 O CYS A 49 -2.297 -9.232 4.331 1.00 0.00 O ATOM 742 CB CYS A 49 0.472 -8.599 2.283 1.00 0.00 C ATOM 743 SG CYS A 49 0.780 -8.366 0.515 1.00 0.00 S ATOM 0 H CYS A 49 -0.433 -7.084 4.315 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.515 -8.015 1.678 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.154 -7.980 2.867 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.663 -9.635 2.563 1.00 0.00 H new ATOM 748 N ASN A 50 -1.507 -10.581 2.784 1.00 0.00 N ATOM 749 CA ASN A 50 -2.136 -11.772 3.420 1.00 0.00 C ATOM 750 C ASN A 50 -1.070 -12.843 3.658 1.00 0.00 C ATOM 751 O ASN A 50 -0.019 -12.749 3.045 1.00 0.00 O ATOM 752 CB ASN A 50 -3.220 -12.331 2.495 1.00 0.00 C ATOM 753 CG ASN A 50 -4.575 -12.267 3.201 1.00 0.00 C ATOM 754 OD1 ASN A 50 -4.876 -11.303 3.875 1.00 0.00 O ATOM 755 ND2 ASN A 50 -5.413 -13.259 3.071 1.00 0.00 N ATOM 756 OXT ASN A 50 -1.324 -13.738 4.445 1.00 0.00 O ATOM 0 H ASN A 50 -0.978 -10.774 1.934 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.583 -11.483 4.371 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -3.253 -11.758 1.568 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -2.987 -13.361 2.225 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.320 -13.224 3.536 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.161 -14.069 2.505 1.00 0.00 H new TER 763 ASN A 50