USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 486 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 35:sc= 1.19 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.238 K(o=-0.24,f=-3.9!) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 170:sc= -3.21! USER MOD Single : A 48 THR OG1 : rot 25:sc= 0.335 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HE2:sc= 0.0356 X(o=0.036,f=-0.28) USER MOD Single : A 63 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.36) USER MOD Single : A 64 HIS : no HD1:sc= -0.686 K(o=-0.69,f=-1.5) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.305 K(o=-0.31,f=-2.2!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0567 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 32:sc= 0.158 USER MOD Single : A 74 HIS : no HD1:sc= -0.809 K(o=-0.81,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.918 31.914 -3.349 1.00 0.00 N ATOM 2 CA MET A 1 -15.131 32.582 -3.788 1.00 0.00 C ATOM 3 C MET A 1 -16.299 32.274 -2.849 1.00 0.00 C ATOM 4 O MET A 1 -16.853 31.176 -2.881 1.00 0.00 O ATOM 5 CB MET A 1 -15.482 32.125 -5.206 1.00 0.00 C ATOM 6 CG MET A 1 -15.804 33.321 -6.104 1.00 0.00 C ATOM 7 SD MET A 1 -17.543 33.334 -6.504 1.00 0.00 S ATOM 8 CE MET A 1 -17.882 35.080 -6.359 1.00 0.00 C ATOM 0 H1 MET A 1 -13.141 32.139 -4.003 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.670 32.238 -2.392 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.073 30.886 -3.337 1.00 0.00 H new ATOM 0 HA MET A 1 -14.954 33.658 -3.776 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.648 31.563 -5.628 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.337 31.450 -5.173 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.532 34.248 -5.600 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.213 33.269 -7.018 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.933 35.266 -6.578 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.659 35.411 -5.345 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.261 35.631 -7.065 1.00 0.00 H new ATOM 18 N GLU A 2 -16.637 33.262 -2.033 1.00 0.00 N ATOM 19 CA GLU A 2 -17.728 33.110 -1.086 1.00 0.00 C ATOM 20 C GLU A 2 -19.073 33.297 -1.791 1.00 0.00 C ATOM 21 O GLU A 2 -19.511 34.426 -2.010 1.00 0.00 O ATOM 22 CB GLU A 2 -17.580 34.086 0.082 1.00 0.00 C ATOM 23 CG GLU A 2 -17.917 33.407 1.411 1.00 0.00 C ATOM 24 CD GLU A 2 -16.652 33.155 2.234 1.00 0.00 C ATOM 25 OE1 GLU A 2 -16.262 34.006 3.047 1.00 0.00 O ATOM 26 OE2 GLU A 2 -16.069 32.028 2.006 1.00 0.00 O ATOM 0 H GLU A 2 -16.174 34.171 -2.008 1.00 0.00 H new ATOM 0 HA GLU A 2 -17.692 32.100 -0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -16.560 34.469 0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -18.237 34.942 -0.070 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -18.606 34.033 1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -18.426 32.462 1.222 1.00 0.00 H new ATOM 34 N VAL A 3 -19.691 32.174 -2.126 1.00 0.00 N ATOM 35 CA VAL A 3 -20.977 32.201 -2.802 1.00 0.00 C ATOM 36 C VAL A 3 -22.097 32.139 -1.761 1.00 0.00 C ATOM 37 O VAL A 3 -21.884 31.672 -0.643 1.00 0.00 O ATOM 38 CB VAL A 3 -21.053 31.069 -3.829 1.00 0.00 C ATOM 39 CG1 VAL A 3 -22.224 31.279 -4.790 1.00 0.00 C ATOM 40 CG2 VAL A 3 -19.734 30.932 -4.592 1.00 0.00 C ATOM 0 H VAL A 3 -19.325 31.240 -1.942 1.00 0.00 H new ATOM 0 HA VAL A 3 -21.098 33.132 -3.355 1.00 0.00 H new ATOM 0 HB VAL A 3 -21.226 30.138 -3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -22.255 30.461 -5.510 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -23.157 31.303 -4.227 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -22.095 32.223 -5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -19.815 30.121 -5.315 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -19.517 31.864 -5.114 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -18.929 30.714 -3.890 1.00 0.00 H new ATOM 50 N ALA A 4 -23.264 32.618 -2.165 1.00 0.00 N ATOM 51 CA ALA A 4 -24.417 32.623 -1.281 1.00 0.00 C ATOM 52 C ALA A 4 -24.514 31.273 -0.567 1.00 0.00 C ATOM 53 O ALA A 4 -24.034 30.262 -1.077 1.00 0.00 O ATOM 54 CB ALA A 4 -25.677 32.947 -2.087 1.00 0.00 C ATOM 0 H ALA A 4 -23.436 33.005 -3.093 1.00 0.00 H new ATOM 0 HA ALA A 4 -24.311 33.393 -0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -26.542 32.951 -1.424 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -25.570 33.928 -2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -25.817 32.193 -2.862 1.00 0.00 H new ATOM 60 N MET A 5 -25.136 31.301 0.602 1.00 0.00 N ATOM 61 CA MET A 5 -25.301 30.092 1.391 1.00 0.00 C ATOM 62 C MET A 5 -26.108 29.042 0.624 1.00 0.00 C ATOM 63 O MET A 5 -27.133 29.360 0.023 1.00 0.00 O ATOM 64 CB MET A 5 -26.018 30.430 2.700 1.00 0.00 C ATOM 65 CG MET A 5 -25.024 30.531 3.859 1.00 0.00 C ATOM 66 SD MET A 5 -24.016 31.992 3.673 1.00 0.00 S ATOM 67 CE MET A 5 -23.272 32.063 5.295 1.00 0.00 C ATOM 0 H MET A 5 -25.532 32.142 1.022 1.00 0.00 H new ATOM 0 HA MET A 5 -24.314 29.682 1.602 1.00 0.00 H new ATOM 0 HB2 MET A 5 -26.554 31.373 2.592 1.00 0.00 H new ATOM 0 HB3 MET A 5 -26.762 29.664 2.920 1.00 0.00 H new ATOM 0 HG2 MET A 5 -25.561 30.568 4.807 1.00 0.00 H new ATOM 0 HG3 MET A 5 -24.392 29.644 3.885 1.00 0.00 H new ATOM 0 HE1 MET A 5 -22.606 32.924 5.353 1.00 0.00 H new ATOM 0 HE2 MET A 5 -24.053 32.157 6.050 1.00 0.00 H new ATOM 0 HE3 MET A 5 -22.702 31.151 5.474 1.00 0.00 H new ATOM 77 N VAL A 6 -25.614 27.814 0.669 1.00 0.00 N ATOM 78 CA VAL A 6 -26.276 26.716 -0.015 1.00 0.00 C ATOM 79 C VAL A 6 -27.075 25.896 1.001 1.00 0.00 C ATOM 80 O VAL A 6 -26.905 26.061 2.208 1.00 0.00 O ATOM 81 CB VAL A 6 -25.248 25.880 -0.781 1.00 0.00 C ATOM 82 CG1 VAL A 6 -25.935 24.800 -1.619 1.00 0.00 C ATOM 83 CG2 VAL A 6 -24.360 26.769 -1.653 1.00 0.00 C ATOM 0 H VAL A 6 -24.763 27.555 1.168 1.00 0.00 H new ATOM 0 HA VAL A 6 -26.981 27.096 -0.754 1.00 0.00 H new ATOM 0 HB VAL A 6 -24.610 25.382 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -25.182 24.220 -2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -26.505 24.140 -0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -26.608 25.269 -2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -23.638 26.151 -2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -24.978 27.307 -2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -23.830 27.483 -1.023 1.00 0.00 H new ATOM 93 N SER A 7 -27.929 25.031 0.474 1.00 0.00 N ATOM 94 CA SER A 7 -28.755 24.186 1.320 1.00 0.00 C ATOM 95 C SER A 7 -29.754 25.043 2.100 1.00 0.00 C ATOM 96 O SER A 7 -29.371 25.773 3.012 1.00 0.00 O ATOM 97 CB SER A 7 -27.896 23.363 2.282 1.00 0.00 C ATOM 98 OG SER A 7 -26.838 22.688 1.609 1.00 0.00 O ATOM 0 H SER A 7 -28.067 24.897 -0.528 1.00 0.00 H new ATOM 0 HA SER A 7 -29.302 23.493 0.681 1.00 0.00 H new ATOM 0 HB2 SER A 7 -27.479 24.018 3.047 1.00 0.00 H new ATOM 0 HB3 SER A 7 -28.523 22.634 2.794 1.00 0.00 H new ATOM 0 HG SER A 7 -26.312 22.175 2.258 1.00 0.00 H new ATOM 104 N ALA A 8 -31.016 24.925 1.712 1.00 0.00 N ATOM 105 CA ALA A 8 -32.073 25.679 2.364 1.00 0.00 C ATOM 106 C ALA A 8 -31.996 25.455 3.875 1.00 0.00 C ATOM 107 O ALA A 8 -32.421 24.415 4.375 1.00 0.00 O ATOM 108 CB ALA A 8 -33.427 25.269 1.782 1.00 0.00 C ATOM 0 H ALA A 8 -31.330 24.318 0.954 1.00 0.00 H new ATOM 0 HA ALA A 8 -31.950 26.747 2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -34.220 25.835 2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -33.441 25.476 0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -33.587 24.204 1.947 1.00 0.00 H new ATOM 114 N GLU A 9 -31.450 26.449 4.561 1.00 0.00 N ATOM 115 CA GLU A 9 -31.311 26.373 6.006 1.00 0.00 C ATOM 116 C GLU A 9 -32.557 25.736 6.625 1.00 0.00 C ATOM 117 O GLU A 9 -33.618 25.707 6.005 1.00 0.00 O ATOM 118 CB GLU A 9 -31.048 27.756 6.604 1.00 0.00 C ATOM 119 CG GLU A 9 -32.359 28.501 6.862 1.00 0.00 C ATOM 120 CD GLU A 9 -32.215 29.991 6.545 1.00 0.00 C ATOM 121 OE1 GLU A 9 -31.453 30.362 5.640 1.00 0.00 O ATOM 122 OE2 GLU A 9 -32.930 30.776 7.278 1.00 0.00 O ATOM 0 H GLU A 9 -31.099 27.311 4.143 1.00 0.00 H new ATOM 0 HA GLU A 9 -30.451 25.744 6.237 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -30.494 27.653 7.537 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -30.423 28.337 5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -33.152 28.071 6.251 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -32.655 28.374 7.903 1.00 0.00 H new ATOM 130 N SER A 10 -32.386 25.241 7.843 1.00 0.00 N ATOM 131 CA SER A 10 -33.482 24.606 8.553 1.00 0.00 C ATOM 132 C SER A 10 -33.880 23.306 7.849 1.00 0.00 C ATOM 133 O SER A 10 -33.406 23.022 6.750 1.00 0.00 O ATOM 134 CB SER A 10 -34.687 25.543 8.657 1.00 0.00 C ATOM 135 OG SER A 10 -34.751 26.191 9.924 1.00 0.00 O ATOM 0 H SER A 10 -31.504 25.267 8.355 1.00 0.00 H new ATOM 0 HA SER A 10 -33.146 24.376 9.564 1.00 0.00 H new ATOM 0 HB2 SER A 10 -34.632 26.293 7.868 1.00 0.00 H new ATOM 0 HB3 SER A 10 -35.603 24.975 8.493 1.00 0.00 H new ATOM 0 HG SER A 10 -35.533 26.782 9.950 1.00 0.00 H new ATOM 141 N SER A 11 -34.745 22.553 8.511 1.00 0.00 N ATOM 142 CA SER A 11 -35.211 21.291 7.963 1.00 0.00 C ATOM 143 C SER A 11 -36.295 21.545 6.913 1.00 0.00 C ATOM 144 O SER A 11 -37.469 21.693 7.251 1.00 0.00 O ATOM 145 CB SER A 11 -35.745 20.374 9.065 1.00 0.00 C ATOM 146 OG SER A 11 -36.919 20.902 9.676 1.00 0.00 O ATOM 0 H SER A 11 -35.136 22.793 9.422 1.00 0.00 H new ATOM 0 HA SER A 11 -34.365 20.791 7.491 1.00 0.00 H new ATOM 0 HB2 SER A 11 -35.965 19.392 8.645 1.00 0.00 H new ATOM 0 HB3 SER A 11 -34.975 20.231 9.823 1.00 0.00 H new ATOM 0 HG SER A 11 -37.454 21.373 9.004 1.00 0.00 H new ATOM 152 N GLY A 12 -35.864 21.588 5.661 1.00 0.00 N ATOM 153 CA GLY A 12 -36.783 21.822 4.560 1.00 0.00 C ATOM 154 C GLY A 12 -37.453 20.519 4.120 1.00 0.00 C ATOM 155 O GLY A 12 -38.583 20.235 4.514 1.00 0.00 O ATOM 0 H GLY A 12 -34.890 21.465 5.384 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -37.543 22.542 4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -36.245 22.261 3.719 1.00 0.00 H new ATOM 159 N CYS A 13 -36.729 19.763 3.308 1.00 0.00 N ATOM 160 CA CYS A 13 -37.239 18.497 2.810 1.00 0.00 C ATOM 161 C CYS A 13 -36.137 17.446 2.951 1.00 0.00 C ATOM 162 O CYS A 13 -35.542 17.029 1.958 1.00 0.00 O ATOM 163 CB CYS A 13 -37.735 18.616 1.367 1.00 0.00 C ATOM 164 SG CYS A 13 -39.538 18.928 1.349 1.00 0.00 S ATOM 0 H CYS A 13 -35.793 20.003 2.982 1.00 0.00 H new ATOM 0 HA CYS A 13 -38.105 18.194 3.398 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -37.212 19.427 0.860 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -37.511 17.700 0.820 1.00 0.00 H new ATOM 0 HG CYS A 13 -39.949 19.030 0.120 1.00 0.00 H new ATOM 170 N ASN A 14 -35.898 17.047 4.191 1.00 0.00 N ATOM 171 CA ASN A 14 -34.878 16.052 4.474 1.00 0.00 C ATOM 172 C ASN A 14 -35.536 14.678 4.613 1.00 0.00 C ATOM 173 O ASN A 14 -34.992 13.789 5.266 1.00 0.00 O ATOM 174 CB ASN A 14 -34.153 16.364 5.786 1.00 0.00 C ATOM 175 CG ASN A 14 -32.712 16.806 5.524 1.00 0.00 C ATOM 176 OD1 ASN A 14 -32.395 17.984 5.481 1.00 0.00 O ATOM 177 ND2 ASN A 14 -31.860 15.800 5.353 1.00 0.00 N ATOM 0 H ASN A 14 -36.394 17.395 5.012 1.00 0.00 H new ATOM 0 HA ASN A 14 -34.160 16.062 3.654 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -34.686 17.149 6.323 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -34.156 15.482 6.426 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -30.874 15.991 5.173 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -32.192 14.837 5.402 1.00 0.00 H new ATOM 184 N SER A 15 -36.696 14.548 3.987 1.00 0.00 N ATOM 185 CA SER A 15 -37.434 13.297 4.032 1.00 0.00 C ATOM 186 C SER A 15 -38.013 13.081 5.432 1.00 0.00 C ATOM 187 O SER A 15 -37.307 12.642 6.339 1.00 0.00 O ATOM 188 CB SER A 15 -36.543 12.117 3.639 1.00 0.00 C ATOM 189 OG SER A 15 -37.114 11.344 2.586 1.00 0.00 O ATOM 0 H SER A 15 -37.143 15.288 3.446 1.00 0.00 H new ATOM 0 HA SER A 15 -38.251 13.356 3.313 1.00 0.00 H new ATOM 0 HB2 SER A 15 -35.566 12.488 3.328 1.00 0.00 H new ATOM 0 HB3 SER A 15 -36.380 11.480 4.509 1.00 0.00 H new ATOM 0 HG SER A 15 -36.514 10.602 2.363 1.00 0.00 H new ATOM 195 N HIS A 16 -39.293 13.399 5.564 1.00 0.00 N ATOM 196 CA HIS A 16 -39.974 13.245 6.838 1.00 0.00 C ATOM 197 C HIS A 16 -41.086 12.202 6.703 1.00 0.00 C ATOM 198 O HIS A 16 -42.252 12.497 6.957 1.00 0.00 O ATOM 199 CB HIS A 16 -40.486 14.594 7.347 1.00 0.00 C ATOM 200 CG HIS A 16 -39.760 15.105 8.568 1.00 0.00 C ATOM 201 ND1 HIS A 16 -38.418 15.443 8.556 1.00 0.00 N ATOM 202 CD2 HIS A 16 -40.204 15.334 9.838 1.00 0.00 C ATOM 203 CE1 HIS A 16 -38.080 15.854 9.770 1.00 0.00 C ATOM 204 NE2 HIS A 16 -39.187 15.785 10.562 1.00 0.00 N ATOM 0 H HIS A 16 -39.876 13.762 4.810 1.00 0.00 H new ATOM 0 HA HIS A 16 -39.271 12.882 7.588 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -40.395 15.330 6.548 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -41.547 14.504 7.579 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -41.211 15.175 10.193 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -37.099 16.185 10.078 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -39.227 16.038 11.549 1.00 0.00 H new ATOM 212 N MET A 17 -40.684 11.005 6.303 1.00 0.00 N ATOM 213 CA MET A 17 -41.631 9.916 6.131 1.00 0.00 C ATOM 214 C MET A 17 -42.572 9.813 7.333 1.00 0.00 C ATOM 215 O MET A 17 -42.345 10.451 8.360 1.00 0.00 O ATOM 216 CB MET A 17 -40.871 8.599 5.963 1.00 0.00 C ATOM 217 CG MET A 17 -40.913 8.123 4.510 1.00 0.00 C ATOM 218 SD MET A 17 -40.911 6.340 4.451 1.00 0.00 S ATOM 219 CE MET A 17 -42.086 6.072 3.135 1.00 0.00 C ATOM 0 H MET A 17 -39.715 10.765 6.093 1.00 0.00 H new ATOM 0 HA MET A 17 -42.228 10.116 5.242 1.00 0.00 H new ATOM 0 HB2 MET A 17 -39.835 8.730 6.277 1.00 0.00 H new ATOM 0 HB3 MET A 17 -41.306 7.839 6.611 1.00 0.00 H new ATOM 0 HG2 MET A 17 -41.805 8.510 4.018 1.00 0.00 H new ATOM 0 HG3 MET A 17 -40.053 8.514 3.966 1.00 0.00 H new ATOM 0 HE1 MET A 17 -42.205 5.002 2.966 1.00 0.00 H new ATOM 0 HE2 MET A 17 -43.047 6.505 3.412 1.00 0.00 H new ATOM 0 HE3 MET A 17 -41.724 6.546 2.222 1.00 0.00 H new ATOM 229 N PRO A 18 -43.636 8.984 7.161 1.00 0.00 N ATOM 230 CA PRO A 18 -44.612 8.789 8.219 1.00 0.00 C ATOM 231 C PRO A 18 -44.050 7.895 9.326 1.00 0.00 C ATOM 232 O PRO A 18 -42.921 7.417 9.229 1.00 0.00 O ATOM 233 CB PRO A 18 -45.826 8.188 7.529 1.00 0.00 C ATOM 234 CG PRO A 18 -45.323 7.639 6.204 1.00 0.00 C ATOM 235 CD PRO A 18 -43.936 8.212 5.959 1.00 0.00 C ATOM 0 HA PRO A 18 -44.877 9.718 8.723 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -46.269 7.398 8.136 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -46.598 8.941 7.372 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -45.287 6.550 6.231 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -45.999 7.916 5.395 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -43.203 7.421 5.803 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -43.919 8.842 5.069 1.00 0.00 H new ATOM 243 N TYR A 19 -44.863 7.696 10.353 1.00 0.00 N ATOM 244 CA TYR A 19 -44.461 6.867 11.477 1.00 0.00 C ATOM 245 C TYR A 19 -43.983 5.494 11.002 1.00 0.00 C ATOM 246 O TYR A 19 -44.029 5.194 9.810 1.00 0.00 O ATOM 247 CB TYR A 19 -45.713 6.688 12.338 1.00 0.00 C ATOM 248 CG TYR A 19 -46.427 7.998 12.678 1.00 0.00 C ATOM 249 CD1 TYR A 19 -45.971 8.782 13.718 1.00 0.00 C ATOM 250 CD2 TYR A 19 -47.526 8.396 11.944 1.00 0.00 C ATOM 251 CE1 TYR A 19 -46.643 10.015 14.039 1.00 0.00 C ATOM 252 CE2 TYR A 19 -48.198 9.628 12.265 1.00 0.00 C ATOM 253 CZ TYR A 19 -47.724 10.377 13.296 1.00 0.00 C ATOM 254 OH TYR A 19 -48.358 11.541 13.598 1.00 0.00 O ATOM 0 H TYR A 19 -45.799 8.095 10.430 1.00 0.00 H new ATOM 0 HA TYR A 19 -43.641 7.333 12.023 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -46.409 6.031 11.816 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -45.435 6.186 13.265 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -45.110 8.471 14.291 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -47.882 7.783 11.129 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -46.297 10.638 14.851 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -49.060 9.950 11.699 1.00 0.00 H new ATOM 0 HH TYR A 19 -49.111 11.672 12.985 1.00 0.00 H new ATOM 264 N GLY A 20 -43.533 4.696 11.959 1.00 0.00 N ATOM 265 CA GLY A 20 -43.047 3.361 11.654 1.00 0.00 C ATOM 266 C GLY A 20 -41.592 3.403 11.180 1.00 0.00 C ATOM 267 O GLY A 20 -40.986 2.362 10.934 1.00 0.00 O ATOM 0 H GLY A 20 -43.495 4.948 12.947 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -43.127 2.730 12.539 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -43.672 2.910 10.883 1.00 0.00 H new ATOM 271 N TYR A 21 -41.075 4.617 11.068 1.00 0.00 N ATOM 272 CA TYR A 21 -39.703 4.809 10.628 1.00 0.00 C ATOM 273 C TYR A 21 -38.719 4.541 11.769 1.00 0.00 C ATOM 274 O TYR A 21 -37.509 4.668 11.592 1.00 0.00 O ATOM 275 CB TYR A 21 -39.595 6.276 10.211 1.00 0.00 C ATOM 276 CG TYR A 21 -39.643 7.261 11.381 1.00 0.00 C ATOM 277 CD1 TYR A 21 -38.546 7.407 12.206 1.00 0.00 C ATOM 278 CD2 TYR A 21 -40.783 8.004 11.611 1.00 0.00 C ATOM 279 CE1 TYR A 21 -38.591 8.334 13.307 1.00 0.00 C ATOM 280 CE2 TYR A 21 -40.828 8.931 12.713 1.00 0.00 C ATOM 281 CZ TYR A 21 -39.730 9.050 13.506 1.00 0.00 C ATOM 282 OH TYR A 21 -39.773 9.925 14.546 1.00 0.00 O ATOM 0 H TYR A 21 -41.581 5.478 11.274 1.00 0.00 H new ATOM 0 HA TYR A 21 -39.461 4.125 9.815 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -38.662 6.420 9.666 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -40.406 6.508 9.521 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -37.654 6.826 12.026 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -41.641 7.891 10.965 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -37.740 8.458 13.960 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -41.714 9.518 12.905 1.00 0.00 H new ATOM 0 HH TYR A 21 -40.647 10.367 14.566 1.00 0.00 H new ATOM 292 N ALA A 22 -39.276 4.176 12.915 1.00 0.00 N ATOM 293 CA ALA A 22 -38.463 3.889 14.085 1.00 0.00 C ATOM 294 C ALA A 22 -38.072 2.410 14.078 1.00 0.00 C ATOM 295 O ALA A 22 -37.626 1.879 15.094 1.00 0.00 O ATOM 296 CB ALA A 22 -39.230 4.284 15.348 1.00 0.00 C ATOM 0 H ALA A 22 -40.281 4.072 13.058 1.00 0.00 H new ATOM 0 HA ALA A 22 -37.543 4.473 14.067 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -38.621 4.069 16.226 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -39.458 5.349 15.317 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -40.158 3.716 15.403 1.00 0.00 H new ATOM 302 N ALA A 23 -38.253 1.788 12.923 1.00 0.00 N ATOM 303 CA ALA A 23 -37.924 0.381 12.771 1.00 0.00 C ATOM 304 C ALA A 23 -36.405 0.223 12.683 1.00 0.00 C ATOM 305 O ALA A 23 -35.718 0.210 13.704 1.00 0.00 O ATOM 306 CB ALA A 23 -38.641 -0.181 11.542 1.00 0.00 C ATOM 0 H ALA A 23 -38.623 2.233 12.083 1.00 0.00 H new ATOM 0 HA ALA A 23 -38.265 -0.188 13.636 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -38.394 -1.237 11.428 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -39.718 -0.072 11.668 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -38.322 0.364 10.654 1.00 0.00 H new ATOM 312 N GLN A 24 -35.924 0.108 11.454 1.00 0.00 N ATOM 313 CA GLN A 24 -34.498 -0.048 11.219 1.00 0.00 C ATOM 314 C GLN A 24 -33.758 1.245 11.567 1.00 0.00 C ATOM 315 O GLN A 24 -32.529 1.284 11.553 1.00 0.00 O ATOM 316 CB GLN A 24 -34.223 -0.465 9.773 1.00 0.00 C ATOM 317 CG GLN A 24 -33.440 -1.778 9.720 1.00 0.00 C ATOM 318 CD GLN A 24 -34.334 -2.965 10.086 1.00 0.00 C ATOM 319 OE1 GLN A 24 -35.244 -2.865 10.893 1.00 0.00 O ATOM 320 NE2 GLN A 24 -34.026 -4.091 9.448 1.00 0.00 N ATOM 0 H GLN A 24 -36.496 0.120 10.610 1.00 0.00 H new ATOM 0 HA GLN A 24 -34.127 -0.841 11.868 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -35.166 -0.578 9.238 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -33.660 0.319 9.266 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -33.031 -1.921 8.720 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -32.595 -1.729 10.407 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -33.251 -4.106 8.785 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -34.564 -4.940 9.622 1.00 0.00 H new ATOM 329 N ALA A 25 -34.538 2.272 11.872 1.00 0.00 N ATOM 330 CA ALA A 25 -33.972 3.563 12.223 1.00 0.00 C ATOM 331 C ALA A 25 -32.929 3.375 13.326 1.00 0.00 C ATOM 332 O ALA A 25 -32.048 4.215 13.502 1.00 0.00 O ATOM 333 CB ALA A 25 -35.094 4.517 12.638 1.00 0.00 C ATOM 0 H ALA A 25 -35.557 2.236 11.883 1.00 0.00 H new ATOM 0 HA ALA A 25 -33.468 4.007 11.365 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -34.669 5.486 12.901 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -35.792 4.640 11.810 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -35.621 4.106 13.499 1.00 0.00 H new ATOM 339 N ARG A 26 -33.063 2.267 14.040 1.00 0.00 N ATOM 340 CA ARG A 26 -32.143 1.957 15.121 1.00 0.00 C ATOM 341 C ARG A 26 -30.768 1.589 14.559 1.00 0.00 C ATOM 342 O ARG A 26 -29.746 1.843 15.195 1.00 0.00 O ATOM 343 CB ARG A 26 -32.665 0.799 15.974 1.00 0.00 C ATOM 344 CG ARG A 26 -32.174 0.917 17.418 1.00 0.00 C ATOM 345 CD ARG A 26 -33.350 1.027 18.390 1.00 0.00 C ATOM 346 NE ARG A 26 -32.955 1.821 19.575 1.00 0.00 N ATOM 347 CZ ARG A 26 -33.783 2.112 20.601 1.00 0.00 C ATOM 348 NH1 ARG A 26 -35.060 1.675 20.597 1.00 0.00 N ATOM 349 NH2 ARG A 26 -33.324 2.830 21.609 1.00 0.00 N ATOM 0 H ARG A 26 -33.795 1.573 13.891 1.00 0.00 H new ATOM 0 HA ARG A 26 -32.057 2.845 15.748 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -33.755 0.792 15.956 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -32.333 -0.149 15.550 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -31.568 0.047 17.672 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -31.532 1.793 17.517 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -34.200 1.497 17.894 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -33.671 0.032 18.699 1.00 0.00 H new ATOM 0 HE ARG A 26 -31.998 2.170 19.619 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -35.407 1.120 19.815 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -35.678 1.900 21.376 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -32.357 3.156 21.605 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -33.936 3.059 22.392 1.00 0.00 H new ATOM 362 N ALA A 27 -30.788 0.997 13.374 1.00 0.00 N ATOM 363 CA ALA A 27 -29.556 0.591 12.720 1.00 0.00 C ATOM 364 C ALA A 27 -28.786 1.836 12.275 1.00 0.00 C ATOM 365 O ALA A 27 -27.557 1.829 12.235 1.00 0.00 O ATOM 366 CB ALA A 27 -29.881 -0.342 11.552 1.00 0.00 C ATOM 0 H ALA A 27 -31.638 0.789 12.850 1.00 0.00 H new ATOM 0 HA ALA A 27 -28.919 0.038 13.411 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -28.956 -0.646 11.061 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -30.401 -1.224 11.925 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -30.517 0.179 10.836 1.00 0.00 H new ATOM 372 N ARG A 28 -29.542 2.875 11.951 1.00 0.00 N ATOM 373 CA ARG A 28 -28.946 4.125 11.510 1.00 0.00 C ATOM 374 C ARG A 28 -28.067 4.713 12.616 1.00 0.00 C ATOM 375 O ARG A 28 -27.075 5.383 12.335 1.00 0.00 O ATOM 376 CB ARG A 28 -30.022 5.143 11.128 1.00 0.00 C ATOM 377 CG ARG A 28 -29.740 5.747 9.750 1.00 0.00 C ATOM 378 CD ARG A 28 -28.676 6.843 9.840 1.00 0.00 C ATOM 379 NE ARG A 28 -27.337 6.271 9.578 1.00 0.00 N ATOM 380 CZ ARG A 28 -26.288 6.982 9.112 1.00 0.00 C ATOM 381 NH1 ARG A 28 -26.416 8.300 8.851 1.00 0.00 N ATOM 382 NH2 ARG A 28 -25.136 6.368 8.914 1.00 0.00 N ATOM 0 H ARG A 28 -30.561 2.877 11.985 1.00 0.00 H new ATOM 0 HA ARG A 28 -28.337 3.911 10.632 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -30.999 4.661 11.125 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -30.060 5.935 11.876 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -29.406 4.965 9.068 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -30.659 6.160 9.335 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -28.892 7.631 9.118 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -28.697 7.302 10.828 1.00 0.00 H new ATOM 0 HE ARG A 28 -27.198 5.277 9.761 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -27.310 8.766 9.006 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -25.619 8.830 8.499 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -25.049 5.371 9.113 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -24.334 6.890 8.562 1.00 0.00 H new ATOM 395 N GLU A 29 -28.464 4.441 13.851 1.00 0.00 N ATOM 396 CA GLU A 29 -27.724 4.935 15.000 1.00 0.00 C ATOM 397 C GLU A 29 -26.514 4.042 15.277 1.00 0.00 C ATOM 398 O GLU A 29 -25.529 4.488 15.863 1.00 0.00 O ATOM 399 CB GLU A 29 -28.627 5.033 16.232 1.00 0.00 C ATOM 400 CG GLU A 29 -29.263 6.420 16.337 1.00 0.00 C ATOM 401 CD GLU A 29 -28.476 7.314 17.297 1.00 0.00 C ATOM 402 OE1 GLU A 29 -28.684 7.245 18.518 1.00 0.00 O ATOM 403 OE2 GLU A 29 -27.622 8.100 16.735 1.00 0.00 O ATOM 0 H GLU A 29 -29.288 3.885 14.081 1.00 0.00 H new ATOM 0 HA GLU A 29 -27.365 5.939 14.772 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -29.408 4.274 16.176 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -28.046 4.827 17.131 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -29.299 6.883 15.351 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -30.292 6.327 16.683 1.00 0.00 H new ATOM 411 N ARG A 30 -26.627 2.795 14.842 1.00 0.00 N ATOM 412 CA ARG A 30 -25.554 1.835 15.035 1.00 0.00 C ATOM 413 C ARG A 30 -24.592 1.867 13.846 1.00 0.00 C ATOM 414 O ARG A 30 -23.405 1.578 13.995 1.00 0.00 O ATOM 415 CB ARG A 30 -26.106 0.417 15.196 1.00 0.00 C ATOM 416 CG ARG A 30 -26.259 0.053 16.674 1.00 0.00 C ATOM 417 CD ARG A 30 -25.766 -1.370 16.943 1.00 0.00 C ATOM 418 NE ARG A 30 -24.796 -1.367 18.060 1.00 0.00 N ATOM 419 CZ ARG A 30 -24.039 -2.430 18.408 1.00 0.00 C ATOM 420 NH1 ARG A 30 -24.134 -3.591 17.727 1.00 0.00 N ATOM 421 NH2 ARG A 30 -23.205 -2.316 19.425 1.00 0.00 N ATOM 0 H ARG A 30 -27.446 2.428 14.357 1.00 0.00 H new ATOM 0 HA ARG A 30 -25.022 2.112 15.945 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -27.072 0.340 14.697 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -25.438 -0.294 14.710 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -25.696 0.758 17.286 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -27.305 0.141 16.967 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -26.610 -2.016 17.185 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -25.299 -1.778 16.046 1.00 0.00 H new ATOM 0 HE ARG A 30 -24.692 -0.509 18.601 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -24.781 -3.671 16.943 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -23.559 -4.389 17.997 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -23.140 -1.435 19.935 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -22.626 -3.109 19.701 1.00 0.00 H new ATOM 434 N GLU A 31 -25.139 2.222 12.693 1.00 0.00 N ATOM 435 CA GLU A 31 -24.343 2.297 11.479 1.00 0.00 C ATOM 436 C GLU A 31 -23.229 3.334 11.637 1.00 0.00 C ATOM 437 O GLU A 31 -22.237 3.299 10.911 1.00 0.00 O ATOM 438 CB GLU A 31 -25.221 2.615 10.267 1.00 0.00 C ATOM 439 CG GLU A 31 -24.783 1.806 9.045 1.00 0.00 C ATOM 440 CD GLU A 31 -25.994 1.261 8.285 1.00 0.00 C ATOM 441 OE1 GLU A 31 -27.119 1.744 8.483 1.00 0.00 O ATOM 442 OE2 GLU A 31 -25.735 0.302 7.462 1.00 0.00 O ATOM 0 H GLU A 31 -26.123 2.461 12.573 1.00 0.00 H new ATOM 0 HA GLU A 31 -23.884 1.323 11.308 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -26.263 2.393 10.500 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -25.164 3.680 10.042 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.187 2.434 8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.146 0.980 9.361 1.00 0.00 H new ATOM 450 N ARG A 32 -23.431 4.231 12.590 1.00 0.00 N ATOM 451 CA ARG A 32 -22.456 5.276 12.853 1.00 0.00 C ATOM 452 C ARG A 32 -21.111 4.661 13.243 1.00 0.00 C ATOM 453 O ARG A 32 -20.059 5.247 12.989 1.00 0.00 O ATOM 454 CB ARG A 32 -22.930 6.202 13.975 1.00 0.00 C ATOM 455 CG ARG A 32 -22.083 7.475 14.030 1.00 0.00 C ATOM 456 CD ARG A 32 -21.201 7.494 15.280 1.00 0.00 C ATOM 457 NE ARG A 32 -19.789 7.723 14.900 1.00 0.00 N ATOM 458 CZ ARG A 32 -19.299 8.913 14.493 1.00 0.00 C ATOM 459 NH1 ARG A 32 -20.103 9.993 14.409 1.00 0.00 N ATOM 460 NH2 ARG A 32 -18.020 9.004 14.178 1.00 0.00 N ATOM 0 H ARG A 32 -24.256 4.256 13.190 1.00 0.00 H new ATOM 0 HA ARG A 32 -22.341 5.860 11.940 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -23.976 6.464 13.818 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -22.872 5.681 14.931 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -21.458 7.539 13.139 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -22.734 8.349 14.027 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -21.535 8.278 15.959 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -21.294 6.549 15.815 1.00 0.00 H new ATOM 0 HE ARG A 32 -19.146 6.932 14.949 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -21.090 9.914 14.654 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -19.724 10.888 14.100 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -17.419 8.183 14.244 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -17.633 9.896 13.869 1.00 0.00 H new ATOM 473 N LEU A 33 -21.188 3.487 13.853 1.00 0.00 N ATOM 474 CA LEU A 33 -19.989 2.786 14.281 1.00 0.00 C ATOM 475 C LEU A 33 -19.503 1.879 13.149 1.00 0.00 C ATOM 476 O LEU A 33 -18.377 1.385 13.184 1.00 0.00 O ATOM 477 CB LEU A 33 -20.241 2.047 15.597 1.00 0.00 C ATOM 478 CG LEU A 33 -19.263 2.350 16.734 1.00 0.00 C ATOM 479 CD1 LEU A 33 -19.851 3.376 17.704 1.00 0.00 C ATOM 480 CD2 LEU A 33 -18.836 1.065 17.447 1.00 0.00 C ATOM 0 H LEU A 33 -22.062 3.004 14.061 1.00 0.00 H new ATOM 0 HA LEU A 33 -19.187 3.494 14.489 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.249 2.286 15.938 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -20.217 0.975 15.399 1.00 0.00 H new ATOM 0 HG LEU A 33 -18.365 2.793 16.303 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -19.136 3.573 18.502 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -20.063 4.302 17.170 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -20.774 2.985 18.132 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -18.141 1.309 18.251 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -19.714 0.571 17.864 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -18.349 0.399 16.735 1.00 0.00 H new ATOM 492 N ALA A 34 -20.377 1.687 12.171 1.00 0.00 N ATOM 493 CA ALA A 34 -20.051 0.847 11.031 1.00 0.00 C ATOM 494 C ALA A 34 -19.239 1.660 10.020 1.00 0.00 C ATOM 495 O ALA A 34 -18.928 1.173 8.934 1.00 0.00 O ATOM 496 CB ALA A 34 -21.339 0.284 10.427 1.00 0.00 C ATOM 0 H ALA A 34 -21.310 2.099 12.145 1.00 0.00 H new ATOM 0 HA ALA A 34 -19.439 -0.000 11.340 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -21.095 -0.346 9.572 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -21.864 -0.309 11.176 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -21.978 1.105 10.102 1.00 0.00 H new ATOM 502 N HIS A 35 -18.920 2.884 10.413 1.00 0.00 N ATOM 503 CA HIS A 35 -18.151 3.769 9.555 1.00 0.00 C ATOM 504 C HIS A 35 -16.658 3.588 9.837 1.00 0.00 C ATOM 505 O HIS A 35 -15.817 4.068 9.079 1.00 0.00 O ATOM 506 CB HIS A 35 -18.613 5.219 9.715 1.00 0.00 C ATOM 507 CG HIS A 35 -18.617 6.008 8.428 1.00 0.00 C ATOM 508 ND1 HIS A 35 -19.750 6.164 7.647 1.00 0.00 N ATOM 509 CD2 HIS A 35 -17.617 6.685 7.794 1.00 0.00 C ATOM 510 CE1 HIS A 35 -19.433 6.902 6.593 1.00 0.00 C ATOM 511 NE2 HIS A 35 -18.110 7.223 6.686 1.00 0.00 N ATOM 0 H HIS A 35 -19.180 3.284 11.315 1.00 0.00 H new ATOM 0 HA HIS A 35 -18.323 3.508 8.511 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -19.618 5.225 10.136 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -17.964 5.719 10.434 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -16.596 6.769 8.136 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -20.104 7.197 5.800 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -17.586 7.784 6.014 1.00 0.00 H new ATOM 519 N SER A 36 -16.375 2.895 10.930 1.00 0.00 N ATOM 520 CA SER A 36 -14.999 2.644 11.322 1.00 0.00 C ATOM 521 C SER A 36 -14.505 1.340 10.694 1.00 0.00 C ATOM 522 O SER A 36 -13.300 1.118 10.583 1.00 0.00 O ATOM 523 CB SER A 36 -14.862 2.585 12.845 1.00 0.00 C ATOM 524 OG SER A 36 -13.868 3.486 13.327 1.00 0.00 O ATOM 0 H SER A 36 -17.076 2.499 11.557 1.00 0.00 H new ATOM 0 HA SER A 36 -14.385 3.469 10.961 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.821 2.823 13.305 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.608 1.569 13.147 1.00 0.00 H new ATOM 0 HG SER A 36 -13.921 3.539 14.304 1.00 0.00 H new ATOM 530 N ARG A 37 -15.460 0.511 10.299 1.00 0.00 N ATOM 531 CA ARG A 37 -15.137 -0.765 9.685 1.00 0.00 C ATOM 532 C ARG A 37 -15.018 -0.609 8.168 1.00 0.00 C ATOM 533 O ARG A 37 -14.967 -1.600 7.440 1.00 0.00 O ATOM 534 CB ARG A 37 -16.205 -1.814 10.001 1.00 0.00 C ATOM 535 CG ARG A 37 -15.566 -3.165 10.330 1.00 0.00 C ATOM 536 CD ARG A 37 -16.601 -4.136 10.904 1.00 0.00 C ATOM 537 NE ARG A 37 -17.005 -5.114 9.870 1.00 0.00 N ATOM 538 CZ ARG A 37 -17.632 -6.280 10.135 1.00 0.00 C ATOM 539 NH1 ARG A 37 -17.932 -6.623 11.406 1.00 0.00 N ATOM 540 NH2 ARG A 37 -17.947 -7.080 9.133 1.00 0.00 N ATOM 0 H ARG A 37 -16.458 0.699 10.392 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.184 -1.099 10.095 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -16.811 -1.479 10.843 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -16.876 -1.923 9.149 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.123 -3.591 9.430 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.757 -3.024 11.047 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -16.184 -4.657 11.766 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -17.473 -3.585 11.256 1.00 0.00 H new ATOM 0 HE ARG A 37 -16.797 -4.894 8.896 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -17.685 -5.999 12.174 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -18.406 -7.506 11.598 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -17.716 -6.814 8.176 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -18.421 -7.964 9.316 1.00 0.00 H new ATOM 553 N ALA A 38 -14.978 0.643 7.735 1.00 0.00 N ATOM 554 CA ALA A 38 -14.866 0.941 6.317 1.00 0.00 C ATOM 555 C ALA A 38 -13.392 0.917 5.910 1.00 0.00 C ATOM 556 O ALA A 38 -12.999 0.153 5.029 1.00 0.00 O ATOM 557 CB ALA A 38 -15.530 2.288 6.025 1.00 0.00 C ATOM 0 H ALA A 38 -15.021 1.462 8.341 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.384 0.187 5.724 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -15.446 2.512 4.962 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.583 2.243 6.305 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.035 3.070 6.601 1.00 0.00 H new ATOM 563 N ALA A 39 -12.614 1.762 6.571 1.00 0.00 N ATOM 564 CA ALA A 39 -11.192 1.848 6.289 1.00 0.00 C ATOM 565 C ALA A 39 -10.601 0.438 6.240 1.00 0.00 C ATOM 566 O ALA A 39 -11.279 -0.536 6.564 1.00 0.00 O ATOM 567 CB ALA A 39 -10.514 2.727 7.342 1.00 0.00 C ATOM 0 H ALA A 39 -12.943 2.393 7.302 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.021 2.312 5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.447 2.791 7.130 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.950 3.726 7.317 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.662 2.291 8.330 1.00 0.00 H new ATOM 573 N ALA A 40 -9.341 0.372 5.832 1.00 0.00 N ATOM 574 CA ALA A 40 -8.651 -0.903 5.736 1.00 0.00 C ATOM 575 C ALA A 40 -8.036 -1.248 7.093 1.00 0.00 C ATOM 576 O ALA A 40 -6.823 -1.426 7.202 1.00 0.00 O ATOM 577 CB ALA A 40 -7.605 -0.834 4.622 1.00 0.00 C ATOM 0 H ALA A 40 -8.781 1.181 5.564 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.349 -1.699 5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.087 -1.790 4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.097 -0.615 3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.885 -0.047 4.847 1.00 0.00 H new ATOM 583 N ALA A 41 -8.899 -1.332 8.095 1.00 0.00 N ATOM 584 CA ALA A 41 -8.455 -1.652 9.441 1.00 0.00 C ATOM 585 C ALA A 41 -7.656 -0.475 10.004 1.00 0.00 C ATOM 586 O ALA A 41 -6.516 -0.643 10.432 1.00 0.00 O ATOM 587 CB ALA A 41 -7.644 -2.949 9.415 1.00 0.00 C ATOM 0 H ALA A 41 -9.904 -1.184 8.001 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.309 -1.814 10.099 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.310 -3.190 10.424 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.266 -3.760 9.035 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.777 -2.823 8.767 1.00 0.00 H new ATOM 593 N ALA A 42 -8.287 0.690 9.984 1.00 0.00 N ATOM 594 CA ALA A 42 -7.649 1.895 10.487 1.00 0.00 C ATOM 595 C ALA A 42 -8.087 2.132 11.934 1.00 0.00 C ATOM 596 O ALA A 42 -7.253 2.192 12.836 1.00 0.00 O ATOM 597 CB ALA A 42 -7.991 3.073 9.574 1.00 0.00 C ATOM 0 H ALA A 42 -9.233 0.825 9.628 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.565 1.785 10.484 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.512 3.977 9.951 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.633 2.867 8.565 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.071 3.216 9.554 1.00 0.00 H new ATOM 603 N ALA A 43 -9.394 2.261 12.109 1.00 0.00 N ATOM 604 CA ALA A 43 -9.952 2.490 13.431 1.00 0.00 C ATOM 605 C ALA A 43 -9.345 1.491 14.417 1.00 0.00 C ATOM 606 O ALA A 43 -9.309 1.744 15.621 1.00 0.00 O ATOM 607 CB ALA A 43 -11.477 2.390 13.365 1.00 0.00 C ATOM 0 H ALA A 43 -10.082 2.211 11.358 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.705 3.492 13.783 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.896 2.562 14.356 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.861 3.140 12.674 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.762 1.397 13.018 1.00 0.00 H new ATOM 613 N VAL A 44 -8.881 0.376 13.871 1.00 0.00 N ATOM 614 CA VAL A 44 -8.277 -0.662 14.688 1.00 0.00 C ATOM 615 C VAL A 44 -6.757 -0.490 14.682 1.00 0.00 C ATOM 616 O VAL A 44 -6.087 -0.818 15.660 1.00 0.00 O ATOM 617 CB VAL A 44 -8.725 -2.041 14.198 1.00 0.00 C ATOM 618 CG1 VAL A 44 -7.546 -3.015 14.149 1.00 0.00 C ATOM 619 CG2 VAL A 44 -9.856 -2.592 15.068 1.00 0.00 C ATOM 0 H VAL A 44 -8.911 0.169 12.873 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.610 -0.576 15.722 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.108 -1.928 13.184 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.892 -3.987 13.798 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.786 -2.632 13.468 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.119 -3.120 15.147 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.155 -3.573 14.698 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.511 -2.683 16.098 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.708 -1.914 15.029 1.00 0.00 H new ATOM 629 N ALA A 45 -6.256 0.024 13.568 1.00 0.00 N ATOM 630 CA ALA A 45 -4.827 0.243 13.421 1.00 0.00 C ATOM 631 C ALA A 45 -4.267 0.815 14.725 1.00 0.00 C ATOM 632 O ALA A 45 -3.200 0.404 15.179 1.00 0.00 O ATOM 633 CB ALA A 45 -4.572 1.162 12.224 1.00 0.00 C ATOM 0 H ALA A 45 -6.814 0.295 12.759 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.312 -0.698 13.225 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.500 1.327 12.113 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.963 0.697 11.319 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.071 2.117 12.386 1.00 0.00 H new ATOM 639 N ALA A 46 -5.011 1.754 15.290 1.00 0.00 N ATOM 640 CA ALA A 46 -4.602 2.386 16.533 1.00 0.00 C ATOM 641 C ALA A 46 -4.792 1.401 17.688 1.00 0.00 C ATOM 642 O ALA A 46 -3.920 1.268 18.545 1.00 0.00 O ATOM 643 CB ALA A 46 -5.395 3.679 16.733 1.00 0.00 C ATOM 0 H ALA A 46 -5.895 2.093 14.910 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.546 2.653 16.498 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.088 4.153 17.665 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.203 4.356 15.901 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.460 3.450 16.775 1.00 0.00 H new ATOM 649 N ALA A 47 -5.937 0.735 17.673 1.00 0.00 N ATOM 650 CA ALA A 47 -6.253 -0.234 18.709 1.00 0.00 C ATOM 651 C ALA A 47 -5.298 -1.425 18.595 1.00 0.00 C ATOM 652 O ALA A 47 -4.220 -1.307 18.016 1.00 0.00 O ATOM 653 CB ALA A 47 -7.720 -0.650 18.590 1.00 0.00 C ATOM 0 H ALA A 47 -6.658 0.847 16.960 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.118 0.204 19.698 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.956 -1.377 19.367 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.357 0.226 18.707 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.893 -1.097 17.611 1.00 0.00 H new ATOM 659 N THR A 48 -5.731 -2.544 19.156 1.00 0.00 N ATOM 660 CA THR A 48 -4.928 -3.755 19.125 1.00 0.00 C ATOM 661 C THR A 48 -4.183 -3.867 17.793 1.00 0.00 C ATOM 662 O THR A 48 -4.786 -3.747 16.728 1.00 0.00 O ATOM 663 CB THR A 48 -5.852 -4.942 19.405 1.00 0.00 C ATOM 664 OG1 THR A 48 -6.824 -4.878 18.365 1.00 0.00 O ATOM 665 CG2 THR A 48 -6.666 -4.761 20.687 1.00 0.00 C ATOM 0 H THR A 48 -6.627 -2.638 19.634 1.00 0.00 H new ATOM 0 HA THR A 48 -4.155 -3.737 19.894 1.00 0.00 H new ATOM 0 HB THR A 48 -5.259 -5.854 19.477 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.447 -4.406 17.593 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.305 -5.631 20.838 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.990 -4.655 21.535 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.284 -3.867 20.602 1.00 0.00 H new ATOM 673 N ALA A 49 -2.882 -4.094 17.897 1.00 0.00 N ATOM 674 CA ALA A 49 -2.047 -4.223 16.715 1.00 0.00 C ATOM 675 C ALA A 49 -2.794 -5.035 15.655 1.00 0.00 C ATOM 676 O ALA A 49 -3.575 -5.927 15.987 1.00 0.00 O ATOM 677 CB ALA A 49 -0.710 -4.858 17.100 1.00 0.00 C ATOM 0 H ALA A 49 -2.385 -4.192 18.782 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.831 -3.243 16.289 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.084 -4.954 16.213 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.206 -4.228 17.833 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.886 -5.844 17.529 1.00 0.00 H new ATOM 683 N ALA A 50 -2.529 -4.699 14.401 1.00 0.00 N ATOM 684 CA ALA A 50 -3.166 -5.386 13.291 1.00 0.00 C ATOM 685 C ALA A 50 -2.376 -6.653 12.960 1.00 0.00 C ATOM 686 O ALA A 50 -2.036 -6.892 11.802 1.00 0.00 O ATOM 687 CB ALA A 50 -3.273 -4.436 12.096 1.00 0.00 C ATOM 0 H ALA A 50 -1.881 -3.959 14.129 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.178 -5.689 13.558 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.751 -4.952 11.263 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.869 -3.567 12.375 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.276 -4.112 11.798 1.00 0.00 H new ATOM 693 N VAL A 51 -2.106 -7.432 13.997 1.00 0.00 N ATOM 694 CA VAL A 51 -1.362 -8.669 13.831 1.00 0.00 C ATOM 695 C VAL A 51 -2.144 -9.819 14.469 1.00 0.00 C ATOM 696 O VAL A 51 -1.603 -10.565 15.283 1.00 0.00 O ATOM 697 CB VAL A 51 0.047 -8.513 14.406 1.00 0.00 C ATOM 698 CG1 VAL A 51 0.037 -8.655 15.929 1.00 0.00 C ATOM 699 CG2 VAL A 51 1.013 -9.513 13.768 1.00 0.00 C ATOM 0 H VAL A 51 -2.389 -7.230 14.956 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.243 -8.904 12.773 1.00 0.00 H new ATOM 0 HB VAL A 51 0.397 -7.509 14.166 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.051 -8.540 16.312 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.604 -7.887 16.362 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.344 -9.640 16.200 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.007 -9.381 14.194 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.667 -10.528 13.962 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.054 -9.343 12.692 1.00 0.00 H new ATOM 709 N GLU A 52 -3.404 -9.926 14.073 1.00 0.00 N ATOM 710 CA GLU A 52 -4.266 -10.973 14.596 1.00 0.00 C ATOM 711 C GLU A 52 -4.139 -12.239 13.746 1.00 0.00 C ATOM 712 O GLU A 52 -3.536 -12.213 12.674 1.00 0.00 O ATOM 713 CB GLU A 52 -5.720 -10.502 14.665 1.00 0.00 C ATOM 714 CG GLU A 52 -6.377 -10.941 15.975 1.00 0.00 C ATOM 715 CD GLU A 52 -7.611 -11.806 15.707 1.00 0.00 C ATOM 716 OE1 GLU A 52 -8.465 -11.430 14.892 1.00 0.00 O ATOM 717 OE2 GLU A 52 -7.663 -12.904 16.381 1.00 0.00 O ATOM 0 H GLU A 52 -3.849 -9.305 13.397 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.946 -11.207 15.611 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.759 -9.416 14.581 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.278 -10.907 13.821 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.660 -11.500 16.576 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.663 -10.063 16.555 1.00 0.00 H new ATOM 725 N GLY A 53 -4.716 -13.316 14.257 1.00 0.00 N ATOM 726 CA GLY A 53 -4.675 -14.589 13.558 1.00 0.00 C ATOM 727 C GLY A 53 -4.159 -15.701 14.474 1.00 0.00 C ATOM 728 O GLY A 53 -2.959 -15.967 14.518 1.00 0.00 O ATOM 0 H GLY A 53 -5.214 -13.334 15.147 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.672 -14.843 13.198 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.032 -14.506 12.682 1.00 0.00 H new ATOM 732 N THR A 54 -5.091 -16.320 15.183 1.00 0.00 N ATOM 733 CA THR A 54 -4.745 -17.397 16.096 1.00 0.00 C ATOM 734 C THR A 54 -4.243 -18.615 15.317 1.00 0.00 C ATOM 735 O THR A 54 -4.974 -19.184 14.508 1.00 0.00 O ATOM 736 CB THR A 54 -5.970 -17.694 16.963 1.00 0.00 C ATOM 737 OG1 THR A 54 -6.014 -16.608 17.885 1.00 0.00 O ATOM 738 CG2 THR A 54 -5.777 -18.927 17.848 1.00 0.00 C ATOM 0 H THR A 54 -6.086 -16.097 15.144 1.00 0.00 H new ATOM 0 HA THR A 54 -3.925 -17.110 16.754 1.00 0.00 H new ATOM 0 HB THR A 54 -6.840 -17.840 16.323 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.781 -16.719 18.485 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.676 -19.093 18.442 1.00 0.00 H new ATOM 0 HG22 THR A 54 -5.591 -19.799 17.221 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.927 -18.769 18.512 1.00 0.00 H new ATOM 746 N GLY A 55 -2.998 -18.978 15.589 1.00 0.00 N ATOM 747 CA GLY A 55 -2.389 -20.118 14.925 1.00 0.00 C ATOM 748 C GLY A 55 -1.120 -20.564 15.654 1.00 0.00 C ATOM 749 O GLY A 55 -0.608 -19.846 16.511 1.00 0.00 O ATOM 0 H GLY A 55 -2.395 -18.503 16.260 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.100 -20.943 14.887 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.148 -19.857 13.895 1.00 0.00 H new ATOM 753 N GLY A 56 -0.650 -21.747 15.287 1.00 0.00 N ATOM 754 CA GLY A 56 0.549 -22.298 15.895 1.00 0.00 C ATOM 755 C GLY A 56 1.538 -22.769 14.828 1.00 0.00 C ATOM 756 O GLY A 56 1.172 -22.933 13.665 1.00 0.00 O ATOM 0 H GLY A 56 -1.078 -22.340 14.576 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.021 -21.544 16.526 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.282 -23.133 16.542 1.00 0.00 H new ATOM 760 N SER A 57 2.774 -22.974 15.261 1.00 0.00 N ATOM 761 CA SER A 57 3.819 -23.424 14.357 1.00 0.00 C ATOM 762 C SER A 57 4.766 -24.378 15.086 1.00 0.00 C ATOM 763 O SER A 57 4.810 -24.397 16.315 1.00 0.00 O ATOM 764 CB SER A 57 4.597 -22.238 13.783 1.00 0.00 C ATOM 765 OG SER A 57 4.233 -21.964 12.433 1.00 0.00 O ATOM 0 H SER A 57 3.075 -22.837 16.226 1.00 0.00 H new ATOM 0 HA SER A 57 3.350 -23.953 13.527 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.414 -21.354 14.394 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.666 -22.446 13.835 1.00 0.00 H new ATOM 0 HG SER A 57 4.750 -21.200 12.103 1.00 0.00 H new ATOM 771 N GLY A 58 5.503 -25.147 14.297 1.00 0.00 N ATOM 772 CA GLY A 58 6.447 -26.102 14.852 1.00 0.00 C ATOM 773 C GLY A 58 6.630 -27.299 13.917 1.00 0.00 C ATOM 774 O GLY A 58 5.992 -27.375 12.868 1.00 0.00 O ATOM 0 H GLY A 58 5.465 -25.128 13.278 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.408 -25.615 15.017 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.093 -26.446 15.824 1.00 0.00 H new ATOM 778 N GLY A 59 7.504 -28.204 14.331 1.00 0.00 N ATOM 779 CA GLY A 59 7.779 -29.394 13.544 1.00 0.00 C ATOM 780 C GLY A 59 9.164 -29.958 13.868 1.00 0.00 C ATOM 781 O GLY A 59 10.027 -29.243 14.376 1.00 0.00 O ATOM 0 H GLY A 59 8.031 -28.137 15.202 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.019 -30.150 13.743 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.719 -29.154 12.482 1.00 0.00 H new ATOM 785 N GLY A 60 9.334 -31.236 13.561 1.00 0.00 N ATOM 786 CA GLY A 60 10.599 -31.904 13.814 1.00 0.00 C ATOM 787 C GLY A 60 10.820 -33.051 12.825 1.00 0.00 C ATOM 788 O GLY A 60 10.362 -34.169 13.054 1.00 0.00 O ATOM 0 H GLY A 60 8.617 -31.826 13.139 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.416 -31.187 13.733 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.613 -32.290 14.833 1.00 0.00 H new ATOM 792 N PRO A 61 11.541 -32.725 11.719 1.00 0.00 N ATOM 793 CA PRO A 61 11.829 -33.715 10.695 1.00 0.00 C ATOM 794 C PRO A 61 12.916 -34.685 11.160 1.00 0.00 C ATOM 795 O PRO A 61 13.487 -34.514 12.236 1.00 0.00 O ATOM 796 CB PRO A 61 12.235 -32.909 9.472 1.00 0.00 C ATOM 797 CG PRO A 61 12.609 -31.529 9.987 1.00 0.00 C ATOM 798 CD PRO A 61 12.099 -31.411 11.415 1.00 0.00 C ATOM 0 HA PRO A 61 10.972 -34.350 10.471 1.00 0.00 H new ATOM 0 HB2 PRO A 61 13.076 -33.375 8.959 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.417 -32.849 8.754 1.00 0.00 H new ATOM 0 HG2 PRO A 61 13.690 -31.389 9.955 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.168 -30.755 9.359 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.904 -31.154 12.103 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.344 -30.630 11.502 1.00 0.00 H new ATOM 806 N HIS A 62 13.171 -35.683 10.326 1.00 0.00 N ATOM 807 CA HIS A 62 14.180 -36.681 10.638 1.00 0.00 C ATOM 808 C HIS A 62 14.402 -37.584 9.424 1.00 0.00 C ATOM 809 O HIS A 62 15.528 -37.729 8.951 1.00 0.00 O ATOM 810 CB HIS A 62 13.799 -37.463 11.897 1.00 0.00 C ATOM 811 CG HIS A 62 14.863 -37.456 12.969 1.00 0.00 C ATOM 812 ND1 HIS A 62 14.941 -36.475 13.942 1.00 0.00 N ATOM 813 CD2 HIS A 62 15.889 -38.322 13.212 1.00 0.00 C ATOM 814 CE1 HIS A 62 15.972 -36.746 14.728 1.00 0.00 C ATOM 815 NE2 HIS A 62 16.558 -37.891 14.274 1.00 0.00 N ATOM 0 H HIS A 62 12.696 -35.822 9.434 1.00 0.00 H new ATOM 0 HA HIS A 62 15.127 -36.189 10.859 1.00 0.00 H new ATOM 0 HB2 HIS A 62 12.880 -37.045 12.308 1.00 0.00 H new ATOM 0 HB3 HIS A 62 13.583 -38.495 11.620 1.00 0.00 H new ATOM 0 HD1 HIS A 62 14.311 -35.678 14.038 1.00 0.00 H new ATOM 0 HD2 HIS A 62 16.118 -39.208 12.638 1.00 0.00 H new ATOM 0 HE1 HIS A 62 16.292 -36.163 15.579 1.00 0.00 H new ATOM 823 N HIS A 63 13.309 -38.168 8.953 1.00 0.00 N ATOM 824 CA HIS A 63 13.370 -39.053 7.803 1.00 0.00 C ATOM 825 C HIS A 63 14.341 -38.483 6.767 1.00 0.00 C ATOM 826 O HIS A 63 14.142 -37.377 6.267 1.00 0.00 O ATOM 827 CB HIS A 63 11.972 -39.299 7.232 1.00 0.00 C ATOM 828 CG HIS A 63 11.762 -40.698 6.704 1.00 0.00 C ATOM 829 ND1 HIS A 63 12.172 -41.828 7.390 1.00 0.00 N ATOM 830 CD2 HIS A 63 11.180 -41.138 5.551 1.00 0.00 C ATOM 831 CE1 HIS A 63 11.848 -42.894 6.673 1.00 0.00 C ATOM 832 NE2 HIS A 63 11.233 -42.464 5.534 1.00 0.00 N ATOM 0 H HIS A 63 12.376 -38.045 9.348 1.00 0.00 H new ATOM 0 HA HIS A 63 13.751 -40.027 8.110 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.233 -39.100 8.008 1.00 0.00 H new ATOM 0 HB3 HIS A 63 11.789 -38.587 6.428 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.749 -40.513 4.783 1.00 0.00 H new ATOM 0 HE1 HIS A 63 12.037 -43.922 6.943 1.00 0.00 H new ATOM 0 HE2 HIS A 63 10.873 -43.063 4.791 1.00 0.00 H new ATOM 840 N HIS A 64 15.371 -39.264 6.476 1.00 0.00 N ATOM 841 CA HIS A 64 16.374 -38.850 5.509 1.00 0.00 C ATOM 842 C HIS A 64 17.384 -39.981 5.302 1.00 0.00 C ATOM 843 O HIS A 64 18.318 -40.135 6.087 1.00 0.00 O ATOM 844 CB HIS A 64 17.033 -37.538 5.937 1.00 0.00 C ATOM 845 CG HIS A 64 16.649 -36.352 5.085 1.00 0.00 C ATOM 846 ND1 HIS A 64 15.814 -35.344 5.535 1.00 0.00 N ATOM 847 CD2 HIS A 64 16.995 -36.023 3.807 1.00 0.00 C ATOM 848 CE1 HIS A 64 15.670 -34.454 4.564 1.00 0.00 C ATOM 849 NE2 HIS A 64 16.402 -34.877 3.494 1.00 0.00 N ATOM 0 H HIS A 64 15.533 -40.181 6.893 1.00 0.00 H new ATOM 0 HA HIS A 64 15.899 -38.653 4.548 1.00 0.00 H new ATOM 0 HB2 HIS A 64 16.766 -37.330 6.973 1.00 0.00 H new ATOM 0 HB3 HIS A 64 18.116 -37.660 5.905 1.00 0.00 H new ATOM 0 HD2 HIS A 64 17.641 -36.597 3.160 1.00 0.00 H new ATOM 0 HE1 HIS A 64 15.077 -33.552 4.612 1.00 0.00 H new ATOM 0 HE2 HIS A 64 16.481 -34.393 2.600 1.00 0.00 H new ATOM 857 N HIS A 65 17.162 -40.742 4.240 1.00 0.00 N ATOM 858 CA HIS A 65 18.042 -41.854 3.920 1.00 0.00 C ATOM 859 C HIS A 65 17.328 -42.815 2.967 1.00 0.00 C ATOM 860 O HIS A 65 16.354 -43.462 3.347 1.00 0.00 O ATOM 861 CB HIS A 65 18.535 -42.541 5.195 1.00 0.00 C ATOM 862 CG HIS A 65 18.914 -43.990 5.004 1.00 0.00 C ATOM 863 ND1 HIS A 65 18.085 -45.036 5.371 1.00 0.00 N ATOM 864 CD2 HIS A 65 20.040 -44.556 4.482 1.00 0.00 C ATOM 865 CE1 HIS A 65 18.695 -46.175 5.078 1.00 0.00 C ATOM 866 NE2 HIS A 65 19.907 -45.875 4.528 1.00 0.00 N ATOM 0 H HIS A 65 16.386 -40.611 3.591 1.00 0.00 H new ATOM 0 HA HIS A 65 18.931 -41.484 3.409 1.00 0.00 H new ATOM 0 HB2 HIS A 65 19.399 -41.997 5.578 1.00 0.00 H new ATOM 0 HB3 HIS A 65 17.756 -42.477 5.955 1.00 0.00 H new ATOM 0 HD2 HIS A 65 20.895 -44.021 4.096 1.00 0.00 H new ATOM 0 HE1 HIS A 65 18.302 -47.167 5.245 1.00 0.00 H new ATOM 0 HE2 HIS A 65 20.597 -46.553 4.205 1.00 0.00 H new ATOM 874 N GLN A 66 17.841 -42.877 1.747 1.00 0.00 N ATOM 875 CA GLN A 66 17.265 -43.748 0.737 1.00 0.00 C ATOM 876 C GLN A 66 18.348 -44.634 0.120 1.00 0.00 C ATOM 877 O GLN A 66 19.529 -44.486 0.431 1.00 0.00 O ATOM 878 CB GLN A 66 16.542 -42.935 -0.340 1.00 0.00 C ATOM 879 CG GLN A 66 15.495 -43.788 -1.060 1.00 0.00 C ATOM 880 CD GLN A 66 14.226 -42.980 -1.337 1.00 0.00 C ATOM 881 OE1 GLN A 66 13.935 -41.989 -0.686 1.00 0.00 O ATOM 882 NE2 GLN A 66 13.488 -43.456 -2.335 1.00 0.00 N ATOM 0 H GLN A 66 18.649 -42.338 1.435 1.00 0.00 H new ATOM 0 HA GLN A 66 16.527 -44.391 1.217 1.00 0.00 H new ATOM 0 HB2 GLN A 66 16.061 -42.069 0.115 1.00 0.00 H new ATOM 0 HB3 GLN A 66 17.266 -42.555 -1.061 1.00 0.00 H new ATOM 0 HG2 GLN A 66 15.906 -44.159 -1.999 1.00 0.00 H new ATOM 0 HG3 GLN A 66 15.250 -44.659 -0.453 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.789 -44.290 -2.839 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.621 -42.987 -2.597 1.00 0.00 H new ATOM 891 N THR A 67 17.908 -45.538 -0.744 1.00 0.00 N ATOM 892 CA THR A 67 18.825 -46.448 -1.407 1.00 0.00 C ATOM 893 C THR A 67 19.959 -45.669 -2.077 1.00 0.00 C ATOM 894 O THR A 67 19.835 -44.469 -2.317 1.00 0.00 O ATOM 895 CB THR A 67 18.017 -47.306 -2.384 1.00 0.00 C ATOM 896 OG1 THR A 67 16.898 -47.742 -1.618 1.00 0.00 O ATOM 897 CG2 THR A 67 18.739 -48.601 -2.761 1.00 0.00 C ATOM 0 H THR A 67 16.928 -45.659 -1.000 1.00 0.00 H new ATOM 0 HA THR A 67 19.308 -47.113 -0.691 1.00 0.00 H new ATOM 0 HB THR A 67 17.809 -46.731 -3.286 1.00 0.00 H new ATOM 0 HG1 THR A 67 16.319 -48.304 -2.175 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.123 -49.172 -3.456 1.00 0.00 H new ATOM 0 HG22 THR A 67 19.692 -48.362 -3.233 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.917 -49.193 -1.863 1.00 0.00 H new ATOM 905 N ARG A 68 21.038 -46.383 -2.360 1.00 0.00 N ATOM 906 CA ARG A 68 22.193 -45.774 -2.998 1.00 0.00 C ATOM 907 C ARG A 68 23.277 -46.824 -3.247 1.00 0.00 C ATOM 908 O ARG A 68 23.679 -47.537 -2.329 1.00 0.00 O ATOM 909 CB ARG A 68 22.770 -44.651 -2.134 1.00 0.00 C ATOM 910 CG ARG A 68 23.927 -43.949 -2.849 1.00 0.00 C ATOM 911 CD ARG A 68 25.214 -44.040 -2.027 1.00 0.00 C ATOM 912 NE ARG A 68 26.348 -43.486 -2.801 1.00 0.00 N ATOM 913 CZ ARG A 68 27.555 -43.194 -2.270 1.00 0.00 C ATOM 914 NH1 ARG A 68 27.795 -43.400 -0.958 1.00 0.00 N ATOM 915 NH2 ARG A 68 28.496 -42.702 -3.054 1.00 0.00 N ATOM 0 H ARG A 68 21.137 -47.378 -2.159 1.00 0.00 H new ATOM 0 HA ARG A 68 21.864 -45.354 -3.949 1.00 0.00 H new ATOM 0 HB2 ARG A 68 21.988 -43.927 -1.902 1.00 0.00 H new ATOM 0 HB3 ARG A 68 23.118 -45.059 -1.185 1.00 0.00 H new ATOM 0 HG2 ARG A 68 24.083 -44.403 -3.828 1.00 0.00 H new ATOM 0 HG3 ARG A 68 23.673 -42.903 -3.019 1.00 0.00 H new ATOM 0 HD2 ARG A 68 25.098 -43.491 -1.092 1.00 0.00 H new ATOM 0 HD3 ARG A 68 25.415 -45.079 -1.764 1.00 0.00 H new ATOM 0 HE ARG A 68 26.209 -43.314 -3.797 1.00 0.00 H new ATOM 0 HH11 ARG A 68 27.062 -43.779 -0.359 1.00 0.00 H new ATOM 0 HH12 ARG A 68 28.710 -43.177 -0.566 1.00 0.00 H new ATOM 0 HH21 ARG A 68 28.306 -42.548 -4.044 1.00 0.00 H new ATOM 0 HH22 ARG A 68 29.413 -42.476 -2.670 1.00 0.00 H new ATOM 928 N GLY A 69 23.720 -46.886 -4.495 1.00 0.00 N ATOM 929 CA GLY A 69 24.750 -47.838 -4.877 1.00 0.00 C ATOM 930 C GLY A 69 24.269 -48.739 -6.016 1.00 0.00 C ATOM 931 O GLY A 69 23.271 -49.444 -5.874 1.00 0.00 O ATOM 0 H GLY A 69 23.385 -46.293 -5.254 1.00 0.00 H new ATOM 0 HA2 GLY A 69 25.648 -47.303 -5.186 1.00 0.00 H new ATOM 0 HA3 GLY A 69 25.023 -48.448 -4.016 1.00 0.00 H new ATOM 935 N ALA A 70 25.000 -48.686 -7.119 1.00 0.00 N ATOM 936 CA ALA A 70 24.661 -49.489 -8.281 1.00 0.00 C ATOM 937 C ALA A 70 25.870 -49.562 -9.216 1.00 0.00 C ATOM 938 O ALA A 70 26.597 -48.582 -9.374 1.00 0.00 O ATOM 939 CB ALA A 70 23.428 -48.898 -8.968 1.00 0.00 C ATOM 0 H ALA A 70 25.826 -48.099 -7.233 1.00 0.00 H new ATOM 0 HA ALA A 70 24.412 -50.508 -7.984 1.00 0.00 H new ATOM 0 HB1 ALA A 70 23.174 -49.500 -9.840 1.00 0.00 H new ATOM 0 HB2 ALA A 70 22.590 -48.895 -8.271 1.00 0.00 H new ATOM 0 HB3 ALA A 70 23.641 -47.876 -9.283 1.00 0.00 H new ATOM 945 N TYR A 71 26.047 -50.732 -9.812 1.00 0.00 N ATOM 946 CA TYR A 71 27.156 -50.945 -10.727 1.00 0.00 C ATOM 947 C TYR A 71 26.734 -51.830 -11.902 1.00 0.00 C ATOM 948 O TYR A 71 26.398 -52.998 -11.714 1.00 0.00 O ATOM 949 CB TYR A 71 28.235 -51.670 -9.920 1.00 0.00 C ATOM 950 CG TYR A 71 29.426 -52.141 -10.756 1.00 0.00 C ATOM 951 CD1 TYR A 71 30.110 -51.243 -11.551 1.00 0.00 C ATOM 952 CD2 TYR A 71 29.817 -53.463 -10.716 1.00 0.00 C ATOM 953 CE1 TYR A 71 31.231 -51.686 -12.338 1.00 0.00 C ATOM 954 CE2 TYR A 71 30.939 -53.907 -11.504 1.00 0.00 C ATOM 955 CZ TYR A 71 31.590 -52.996 -12.276 1.00 0.00 C ATOM 956 OH TYR A 71 32.649 -53.415 -13.019 1.00 0.00 O ATOM 0 H TYR A 71 25.442 -51.542 -9.679 1.00 0.00 H new ATOM 0 HA TYR A 71 27.505 -49.996 -11.135 1.00 0.00 H new ATOM 0 HB2 TYR A 71 28.595 -51.005 -9.135 1.00 0.00 H new ATOM 0 HB3 TYR A 71 27.787 -52.532 -9.426 1.00 0.00 H new ATOM 0 HD1 TYR A 71 29.804 -50.208 -11.582 1.00 0.00 H new ATOM 0 HD2 TYR A 71 29.282 -54.166 -10.094 1.00 0.00 H new ATOM 0 HE1 TYR A 71 31.775 -50.993 -12.964 1.00 0.00 H new ATOM 0 HE2 TYR A 71 31.256 -54.939 -11.482 1.00 0.00 H new ATOM 0 HH TYR A 71 32.791 -54.374 -12.875 1.00 0.00 H new ATOM 966 N SER A 72 26.766 -51.239 -13.087 1.00 0.00 N ATOM 967 CA SER A 72 26.391 -51.959 -14.292 1.00 0.00 C ATOM 968 C SER A 72 27.237 -51.479 -15.473 1.00 0.00 C ATOM 969 O SER A 72 27.197 -50.303 -15.833 1.00 0.00 O ATOM 970 CB SER A 72 24.903 -51.782 -14.599 1.00 0.00 C ATOM 971 OG SER A 72 24.552 -52.323 -15.870 1.00 0.00 O ATOM 0 H SER A 72 27.046 -50.270 -13.239 1.00 0.00 H new ATOM 0 HA SER A 72 26.577 -53.020 -14.128 1.00 0.00 H new ATOM 0 HB2 SER A 72 24.312 -52.268 -13.822 1.00 0.00 H new ATOM 0 HB3 SER A 72 24.651 -50.722 -14.574 1.00 0.00 H new ATOM 0 HG SER A 72 23.594 -52.192 -16.028 1.00 0.00 H new ATOM 977 N SER A 73 27.983 -52.413 -16.044 1.00 0.00 N ATOM 978 CA SER A 73 28.838 -52.100 -17.177 1.00 0.00 C ATOM 979 C SER A 73 29.216 -53.384 -17.917 1.00 0.00 C ATOM 980 O SER A 73 29.669 -54.349 -17.303 1.00 0.00 O ATOM 981 CB SER A 73 30.097 -51.356 -16.728 1.00 0.00 C ATOM 982 OG SER A 73 30.862 -52.115 -15.796 1.00 0.00 O ATOM 0 H SER A 73 28.013 -53.387 -15.743 1.00 0.00 H new ATOM 0 HA SER A 73 28.285 -51.448 -17.853 1.00 0.00 H new ATOM 0 HB2 SER A 73 30.711 -51.125 -17.598 1.00 0.00 H new ATOM 0 HB3 SER A 73 29.814 -50.405 -16.276 1.00 0.00 H new ATOM 0 HG SER A 73 30.758 -53.070 -15.988 1.00 0.00 H new ATOM 988 N HIS A 74 29.016 -53.355 -19.227 1.00 0.00 N ATOM 989 CA HIS A 74 29.331 -54.505 -20.058 1.00 0.00 C ATOM 990 C HIS A 74 29.445 -54.066 -21.519 1.00 0.00 C ATOM 991 O HIS A 74 28.485 -53.557 -22.096 1.00 0.00 O ATOM 992 CB HIS A 74 28.304 -55.620 -19.853 1.00 0.00 C ATOM 993 CG HIS A 74 28.777 -56.730 -18.944 1.00 0.00 C ATOM 994 ND1 HIS A 74 28.514 -56.749 -17.585 1.00 0.00 N ATOM 995 CD2 HIS A 74 29.496 -57.857 -19.213 1.00 0.00 C ATOM 996 CE1 HIS A 74 29.056 -57.843 -17.070 1.00 0.00 C ATOM 997 NE2 HIS A 74 29.665 -58.528 -18.080 1.00 0.00 N ATOM 0 H HIS A 74 28.640 -52.553 -19.733 1.00 0.00 H new ATOM 0 HA HIS A 74 30.295 -54.919 -19.763 1.00 0.00 H new ATOM 0 HB2 HIS A 74 27.392 -55.189 -19.439 1.00 0.00 H new ATOM 0 HB3 HIS A 74 28.044 -56.044 -20.823 1.00 0.00 H new ATOM 0 HD2 HIS A 74 29.865 -58.154 -20.184 1.00 0.00 H new ATOM 0 HE1 HIS A 74 29.022 -58.140 -16.032 1.00 0.00 H new ATOM 0 HE2 HIS A 74 30.167 -59.410 -17.981 1.00 0.00 H new ATOM 1005 N ASP A 75 30.629 -54.278 -22.076 1.00 0.00 N ATOM 1006 CA ASP A 75 30.881 -53.910 -23.459 1.00 0.00 C ATOM 1007 C ASP A 75 30.093 -54.842 -24.382 1.00 0.00 C ATOM 1008 O ASP A 75 29.009 -55.301 -24.027 1.00 0.00 O ATOM 1009 CB ASP A 75 32.366 -54.049 -23.803 1.00 0.00 C ATOM 1010 CG ASP A 75 32.828 -55.474 -24.109 1.00 0.00 C ATOM 1011 OD1 ASP A 75 33.489 -56.122 -23.284 1.00 0.00 O ATOM 1012 OD2 ASP A 75 32.479 -55.925 -25.267 1.00 0.00 O ATOM 0 H ASP A 75 31.423 -54.700 -21.595 1.00 0.00 H new ATOM 0 HA ASP A 75 30.574 -52.873 -23.594 1.00 0.00 H new ATOM 0 HB2 ASP A 75 32.584 -53.419 -24.666 1.00 0.00 H new ATOM 0 HB3 ASP A 75 32.954 -53.663 -22.970 1.00 0.00 H new TER 1018 ASP A 75