USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 623 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 55 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 58 LYS NZ :NH3+ 170:sc= 0.887 (180deg=0.591) USER MOD Set 2.1: A 37 ASN :FLIP amide:sc= 0.973 F(o=2.6,f=3.4) USER MOD Set 2.2: A 42 THR OG1 : rot 92:sc= 1.2 USER MOD Set 2.3: A 44 THR OG1 : rot -49:sc= 1.21 USER MOD Single : A 1 VAL N :NH3+ -173:sc= 0.0428 (180deg=0.00728) USER MOD Single : A 2 THR OG1 : rot -120:sc= -0.01 USER MOD Single : A 4 LYS NZ :NH3+ 176:sc= 1.23 (180deg=1.14) USER MOD Single : A 12 MET CE :methyl -154:sc= 0 (180deg=-0.147) USER MOD Single : A 13 THR OG1 : rot -170:sc= 0 USER MOD Single : A 14 CYS SG : rot -10:sc= -0.0199 USER MOD Single : A 17 CYS SG : rot -153:sc= 0.799 USER MOD Single : A 19 ASN : amide:sc= 0.484 K(o=0.48,f=-0.33) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.685 K(o=-0.69,f=-1.9) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 1.06 K(o=1.1,f=-0.3) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.107 K(o=-0.11,f=-8.3!) USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= 0.242 (180deg=0.157) USER MOD Single : A 53 SER OG : rot -65:sc= 1.6 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 30:sc= -0.158 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0178) USER MOD Single : A 74 GLN : amide:sc= 0.382 K(o=0.38,f=-0.56) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -8.652 12.926 10.081 1.00 10.00 N ATOM 2 CA VAL A 1 -8.862 11.497 9.831 1.00 10.00 C ATOM 3 C VAL A 1 -7.739 11.066 8.893 1.00 10.00 C ATOM 4 O VAL A 1 -6.652 11.614 9.053 1.00 10.00 O ATOM 5 CB VAL A 1 -10.313 11.215 9.389 1.00 10.00 C ATOM 6 CG1 VAL A 1 -10.708 11.867 8.055 1.00 10.00 C ATOM 7 CG2 VAL A 1 -10.638 9.715 9.388 1.00 10.00 C ATOM 0 H1 VAL A 1 -9.319 13.253 10.809 1.00 10.00 H new ATOM 0 H2 VAL A 1 -7.677 13.082 10.409 1.00 10.00 H new ATOM 0 H3 VAL A 1 -8.811 13.459 9.202 1.00 10.00 H new ATOM 0 HA VAL A 1 -8.788 10.875 10.723 1.00 10.00 H new ATOM 0 HB VAL A 1 -10.928 11.698 10.148 1.00 10.00 H new ATOM 0 HG11 VAL A 1 -11.743 11.617 7.820 1.00 10.00 H new ATOM 0 HG12 VAL A 1 -10.605 12.949 8.134 1.00 10.00 H new ATOM 0 HG13 VAL A 1 -10.057 11.498 7.263 1.00 10.00 H new ATOM 0 HG21 VAL A 1 -11.670 9.567 9.070 1.00 10.00 H new ATOM 0 HG22 VAL A 1 -9.969 9.198 8.700 1.00 10.00 H new ATOM 0 HG23 VAL A 1 -10.507 9.314 10.393 1.00 10.00 H new ATOM 19 N THR A 2 -7.971 10.142 7.966 1.00 10.00 N ATOM 20 CA THR A 2 -7.004 9.586 7.047 1.00 10.00 C ATOM 21 C THR A 2 -7.336 10.031 5.618 1.00 10.00 C ATOM 22 O THR A 2 -8.494 10.304 5.302 1.00 10.00 O ATOM 23 CB THR A 2 -7.124 8.062 7.194 1.00 10.00 C ATOM 24 OG1 THR A 2 -8.503 7.729 7.205 1.00 10.00 O ATOM 25 CG2 THR A 2 -6.535 7.581 8.526 1.00 10.00 C ATOM 0 H THR A 2 -8.900 9.742 7.835 1.00 10.00 H new ATOM 0 HA THR A 2 -5.988 9.920 7.258 1.00 10.00 H new ATOM 0 HB THR A 2 -6.586 7.593 6.370 1.00 10.00 H new ATOM 0 HG1 THR A 2 -8.725 7.282 8.048 1.00 10.00 H new ATOM 0 HG21 THR A 2 -6.636 6.498 8.599 1.00 10.00 H new ATOM 0 HG22 THR A 2 -5.480 7.851 8.576 1.00 10.00 H new ATOM 0 HG23 THR A 2 -7.070 8.051 9.351 1.00 10.00 H new ATOM 33 N GLU A 3 -6.318 10.080 4.760 1.00 10.00 N ATOM 34 CA GLU A 3 -6.399 10.417 3.352 1.00 10.00 C ATOM 35 C GLU A 3 -6.355 9.142 2.530 1.00 10.00 C ATOM 36 O GLU A 3 -5.537 8.260 2.794 1.00 10.00 O ATOM 37 CB GLU A 3 -5.196 11.278 2.950 1.00 10.00 C ATOM 38 CG GLU A 3 -5.464 12.762 3.183 1.00 10.00 C ATOM 39 CD GLU A 3 -5.597 13.147 4.656 1.00 10.00 C ATOM 40 OE1 GLU A 3 -4.927 12.500 5.490 1.00 10.00 O ATOM 41 OE2 GLU A 3 -6.362 14.098 4.927 1.00 10.00 O ATOM 0 H GLU A 3 -5.363 9.873 5.052 1.00 10.00 H new ATOM 0 HA GLU A 3 -7.326 10.962 3.174 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -4.321 10.971 3.523 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -4.963 11.111 1.898 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -4.654 13.341 2.739 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -6.379 13.042 2.661 1.00 10.00 H new ATOM 48 N LYS A 4 -7.195 9.085 1.496 1.00 10.00 N ATOM 49 CA LYS A 4 -7.175 8.040 0.505 1.00 10.00 C ATOM 50 C LYS A 4 -6.091 8.374 -0.514 1.00 10.00 C ATOM 51 O LYS A 4 -6.154 9.415 -1.159 1.00 10.00 O ATOM 52 CB LYS A 4 -8.557 7.964 -0.157 1.00 10.00 C ATOM 53 CG LYS A 4 -8.979 6.515 -0.427 1.00 10.00 C ATOM 54 CD LYS A 4 -10.240 6.225 0.390 1.00 10.00 C ATOM 55 CE LYS A 4 -10.819 4.825 0.184 1.00 10.00 C ATOM 56 NZ LYS A 4 -11.921 4.595 1.143 1.00 10.00 N ATOM 0 H LYS A 4 -7.919 9.785 1.332 1.00 10.00 H new ATOM 0 HA LYS A 4 -6.954 7.070 0.951 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -9.295 8.444 0.486 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -8.542 8.519 -1.095 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -9.172 6.367 -1.490 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -8.180 5.828 -0.149 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -10.012 6.358 1.447 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -11.002 6.961 0.133 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -11.185 4.719 -0.837 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -10.040 4.075 0.323 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -12.357 3.669 0.956 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -11.546 4.611 2.113 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -12.636 5.342 1.036 1.00 10.00 H new ATOM 70 N ALA A 5 -5.107 7.492 -0.650 1.00 10.00 N ATOM 71 CA ALA A 5 -4.063 7.572 -1.656 1.00 10.00 C ATOM 72 C ALA A 5 -3.976 6.243 -2.412 1.00 10.00 C ATOM 73 O ALA A 5 -4.342 5.197 -1.867 1.00 10.00 O ATOM 74 CB ALA A 5 -2.743 7.931 -0.984 1.00 10.00 C ATOM 0 H ALA A 5 -5.014 6.678 -0.043 1.00 10.00 H new ATOM 0 HA ALA A 5 -4.294 8.352 -2.382 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -1.957 7.992 -1.736 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -2.840 8.894 -0.482 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -2.487 7.165 -0.253 1.00 10.00 H new ATOM 80 N GLU A 6 -3.501 6.291 -3.665 1.00 10.00 N ATOM 81 CA GLU A 6 -3.360 5.126 -4.515 1.00 10.00 C ATOM 82 C GLU A 6 -1.957 5.055 -5.076 1.00 10.00 C ATOM 83 O GLU A 6 -1.336 6.086 -5.352 1.00 10.00 O ATOM 84 CB GLU A 6 -4.361 5.147 -5.669 1.00 10.00 C ATOM 85 CG GLU A 6 -5.695 4.548 -5.233 1.00 10.00 C ATOM 86 CD GLU A 6 -6.373 3.771 -6.353 1.00 10.00 C ATOM 87 OE1 GLU A 6 -6.975 4.415 -7.236 1.00 10.00 O ATOM 88 OE2 GLU A 6 -6.262 2.526 -6.286 1.00 10.00 O ATOM 0 H GLU A 6 -3.203 7.158 -4.112 1.00 10.00 H new ATOM 0 HA GLU A 6 -3.559 4.248 -3.900 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -4.510 6.172 -6.010 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -3.962 4.585 -6.514 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -5.533 3.887 -4.382 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -6.356 5.346 -4.896 1.00 10.00 H new ATOM 95 N PHE A 7 -1.491 3.817 -5.218 1.00 10.00 N ATOM 96 CA PHE A 7 -0.107 3.471 -5.484 1.00 10.00 C ATOM 97 C PHE A 7 0.018 2.498 -6.653 1.00 10.00 C ATOM 98 O PHE A 7 -0.693 1.487 -6.689 1.00 10.00 O ATOM 99 CB PHE A 7 0.521 2.830 -4.237 1.00 10.00 C ATOM 100 CG PHE A 7 0.128 3.395 -2.895 1.00 10.00 C ATOM 101 CD1 PHE A 7 0.060 4.775 -2.707 1.00 10.00 C ATOM 102 CD2 PHE A 7 -0.076 2.545 -1.805 1.00 10.00 C ATOM 103 CE1 PHE A 7 -0.438 5.306 -1.511 1.00 10.00 C ATOM 104 CE2 PHE A 7 -0.622 3.060 -0.620 1.00 10.00 C ATOM 105 CZ PHE A 7 -0.816 4.444 -0.474 1.00 10.00 C ATOM 0 H PHE A 7 -2.095 2.998 -5.147 1.00 10.00 H new ATOM 0 HA PHE A 7 0.415 4.392 -5.742 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.272 1.769 -4.242 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.605 2.904 -4.330 1.00 10.00 H new ATOM 0 HD1 PHE A 7 0.394 5.439 -3.490 1.00 10.00 H new ATOM 0 HD2 PHE A 7 0.185 1.499 -1.874 1.00 10.00 H new ATOM 0 HE1 PHE A 7 -0.530 6.375 -1.389 1.00 10.00 H new ATOM 0 HE2 PHE A 7 -0.894 2.391 0.183 1.00 10.00 H new ATOM 0 HZ PHE A 7 -1.253 4.840 0.431 1.00 10.00 H new ATOM 115 N ASP A 8 0.945 2.776 -7.574 1.00 10.00 N ATOM 116 CA ASP A 8 1.271 1.944 -8.704 1.00 10.00 C ATOM 117 C ASP A 8 2.289 0.882 -8.288 1.00 10.00 C ATOM 118 O ASP A 8 3.216 1.172 -7.532 1.00 10.00 O ATOM 119 CB ASP A 8 1.824 2.850 -9.804 1.00 10.00 C ATOM 120 CG ASP A 8 2.972 3.747 -9.367 1.00 10.00 C ATOM 121 OD1 ASP A 8 2.690 4.634 -8.533 1.00 10.00 O ATOM 122 OD2 ASP A 8 4.093 3.552 -9.883 1.00 10.00 O ATOM 0 H ASP A 8 1.505 3.628 -7.538 1.00 10.00 H new ATOM 0 HA ASP A 8 0.389 1.421 -9.075 1.00 10.00 H new ATOM 0 HB2 ASP A 8 2.161 2.228 -10.633 1.00 10.00 H new ATOM 0 HB3 ASP A 8 1.015 3.475 -10.183 1.00 10.00 H new ATOM 127 N ILE A 9 2.058 -0.360 -8.735 1.00 10.00 N ATOM 128 CA ILE A 9 2.798 -1.562 -8.377 1.00 10.00 C ATOM 129 C ILE A 9 3.626 -2.032 -9.569 1.00 10.00 C ATOM 130 O ILE A 9 3.085 -2.146 -10.667 1.00 10.00 O ATOM 131 CB ILE A 9 1.803 -2.686 -7.996 1.00 10.00 C ATOM 132 CG1 ILE A 9 0.563 -2.204 -7.231 1.00 10.00 C ATOM 133 CG2 ILE A 9 2.510 -3.757 -7.163 1.00 10.00 C ATOM 134 CD1 ILE A 9 0.972 -1.433 -5.990 1.00 10.00 C ATOM 0 H ILE A 9 1.304 -0.556 -9.394 1.00 10.00 H new ATOM 0 HA ILE A 9 3.453 -1.337 -7.535 1.00 10.00 H new ATOM 0 HB ILE A 9 1.450 -3.090 -8.945 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.046 -1.571 -7.876 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -0.053 -3.058 -6.949 1.00 10.00 H new ATOM 0 HG21 ILE A 9 1.800 -4.542 -6.901 1.00 10.00 H new ATOM 0 HG22 ILE A 9 3.328 -4.186 -7.741 1.00 10.00 H new ATOM 0 HG23 ILE A 9 2.906 -3.307 -6.252 1.00 10.00 H new ATOM 0 HD11 ILE A 9 0.081 -1.098 -5.459 1.00 10.00 H new ATOM 0 HD12 ILE A 9 1.561 -2.078 -5.339 1.00 10.00 H new ATOM 0 HD13 ILE A 9 1.568 -0.568 -6.279 1.00 10.00 H new ATOM 146 N GLU A 10 4.894 -2.384 -9.341 1.00 10.00 N ATOM 147 CA GLU A 10 5.651 -3.224 -10.242 1.00 10.00 C ATOM 148 C GLU A 10 6.185 -4.420 -9.449 1.00 10.00 C ATOM 149 O GLU A 10 7.096 -4.267 -8.629 1.00 10.00 O ATOM 150 CB GLU A 10 6.775 -2.404 -10.873 1.00 10.00 C ATOM 151 CG GLU A 10 6.247 -1.483 -11.982 1.00 10.00 C ATOM 152 CD GLU A 10 7.387 -0.899 -12.806 1.00 10.00 C ATOM 153 OE1 GLU A 10 8.060 -1.706 -13.482 1.00 10.00 O ATOM 154 OE2 GLU A 10 7.579 0.334 -12.734 1.00 10.00 O ATOM 0 H GLU A 10 5.418 -2.087 -8.518 1.00 10.00 H new ATOM 0 HA GLU A 10 5.026 -3.599 -11.053 1.00 10.00 H new ATOM 0 HB2 GLU A 10 7.265 -1.806 -10.105 1.00 10.00 H new ATOM 0 HB3 GLU A 10 7.529 -3.075 -11.284 1.00 10.00 H new ATOM 0 HG2 GLU A 10 5.575 -2.042 -12.633 1.00 10.00 H new ATOM 0 HG3 GLU A 10 5.664 -0.675 -11.540 1.00 10.00 H new ATOM 161 N GLY A 11 5.608 -5.604 -9.697 1.00 10.00 N ATOM 162 CA GLY A 11 6.109 -6.880 -9.208 1.00 10.00 C ATOM 163 C GLY A 11 4.981 -7.892 -9.008 1.00 10.00 C ATOM 164 O GLY A 11 4.582 -8.566 -9.954 1.00 10.00 O ATOM 0 H GLY A 11 4.760 -5.695 -10.257 1.00 10.00 H new ATOM 0 HA2 GLY A 11 6.836 -7.280 -9.915 1.00 10.00 H new ATOM 0 HA3 GLY A 11 6.633 -6.728 -8.264 1.00 10.00 H new ATOM 168 N MET A 12 4.498 -8.046 -7.771 1.00 10.00 N ATOM 169 CA MET A 12 3.500 -9.055 -7.448 1.00 10.00 C ATOM 170 C MET A 12 2.108 -8.642 -7.931 1.00 10.00 C ATOM 171 O MET A 12 1.715 -7.487 -7.792 1.00 10.00 O ATOM 172 CB MET A 12 3.489 -9.317 -5.942 1.00 10.00 C ATOM 173 CG MET A 12 4.731 -10.072 -5.450 1.00 10.00 C ATOM 174 SD MET A 12 4.931 -11.775 -6.039 1.00 10.00 S ATOM 175 CE MET A 12 6.166 -11.555 -7.341 1.00 10.00 C ATOM 0 H MET A 12 4.789 -7.477 -6.976 1.00 10.00 H new ATOM 0 HA MET A 12 3.769 -9.975 -7.968 1.00 10.00 H new ATOM 0 HB2 MET A 12 3.418 -8.366 -5.415 1.00 10.00 H new ATOM 0 HB3 MET A 12 2.598 -9.891 -5.686 1.00 10.00 H new ATOM 0 HG2 MET A 12 5.614 -9.504 -5.744 1.00 10.00 H new ATOM 0 HG3 MET A 12 4.710 -10.088 -4.360 1.00 10.00 H new ATOM 0 HE1 MET A 12 6.064 -12.352 -8.078 1.00 10.00 H new ATOM 0 HE2 MET A 12 6.015 -10.591 -7.826 1.00 10.00 H new ATOM 0 HE3 MET A 12 7.164 -11.589 -6.905 1.00 10.00 H new ATOM 185 N THR A 13 1.364 -9.613 -8.468 1.00 10.00 N ATOM 186 CA THR A 13 0.025 -9.433 -9.011 1.00 10.00 C ATOM 187 C THR A 13 -0.758 -10.736 -8.780 1.00 10.00 C ATOM 188 O THR A 13 -1.078 -11.481 -9.704 1.00 10.00 O ATOM 189 CB THR A 13 0.133 -8.949 -10.474 1.00 10.00 C ATOM 190 OG1 THR A 13 -1.146 -8.790 -11.055 1.00 10.00 O ATOM 191 CG2 THR A 13 1.004 -9.834 -11.374 1.00 10.00 C ATOM 0 H THR A 13 1.693 -10.576 -8.536 1.00 10.00 H new ATOM 0 HA THR A 13 -0.545 -8.652 -8.508 1.00 10.00 H new ATOM 0 HB THR A 13 0.637 -7.985 -10.411 1.00 10.00 H new ATOM 0 HG1 THR A 13 -1.051 -8.638 -12.018 1.00 10.00 H new ATOM 0 HG21 THR A 13 1.024 -9.420 -12.382 1.00 10.00 H new ATOM 0 HG22 THR A 13 2.018 -9.870 -10.977 1.00 10.00 H new ATOM 0 HG23 THR A 13 0.590 -10.842 -11.404 1.00 10.00 H new ATOM 199 N CYS A 14 -1.014 -11.060 -7.505 1.00 10.00 N ATOM 200 CA CYS A 14 -1.642 -12.314 -7.093 1.00 10.00 C ATOM 201 C CYS A 14 -2.357 -12.080 -5.766 1.00 10.00 C ATOM 202 O CYS A 14 -1.837 -11.349 -4.929 1.00 10.00 O ATOM 203 CB CYS A 14 -0.612 -13.437 -6.879 1.00 10.00 C ATOM 204 SG CYS A 14 0.516 -13.688 -8.274 1.00 10.00 S ATOM 0 H CYS A 14 -0.786 -10.446 -6.723 1.00 10.00 H new ATOM 0 HA CYS A 14 -2.327 -12.620 -7.884 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -0.025 -13.211 -5.988 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -1.143 -14.369 -6.684 1.00 10.00 H new ATOM 0 HG CYS A 14 0.098 -13.005 -9.298 1.00 10.00 H new ATOM 210 N ALA A 15 -3.514 -12.710 -5.542 1.00 10.00 N ATOM 211 CA ALA A 15 -4.348 -12.473 -4.365 1.00 10.00 C ATOM 212 C ALA A 15 -3.615 -12.660 -3.033 1.00 10.00 C ATOM 213 O ALA A 15 -3.722 -11.822 -2.144 1.00 10.00 O ATOM 214 CB ALA A 15 -5.607 -13.341 -4.437 1.00 10.00 C ATOM 0 H ALA A 15 -3.900 -13.406 -6.181 1.00 10.00 H new ATOM 0 HA ALA A 15 -4.628 -11.420 -4.387 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -6.225 -13.160 -3.557 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -6.172 -13.089 -5.335 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -5.322 -14.393 -4.470 1.00 10.00 H new ATOM 220 N ALA A 16 -2.860 -13.746 -2.872 1.00 10.00 N ATOM 221 CA ALA A 16 -2.186 -14.026 -1.610 1.00 10.00 C ATOM 222 C ALA A 16 -1.001 -13.079 -1.430 1.00 10.00 C ATOM 223 O ALA A 16 -0.612 -12.768 -0.306 1.00 10.00 O ATOM 224 CB ALA A 16 -1.728 -15.486 -1.600 1.00 10.00 C ATOM 0 H ALA A 16 -2.701 -14.443 -3.599 1.00 10.00 H new ATOM 0 HA ALA A 16 -2.873 -13.867 -0.779 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -1.223 -15.702 -0.659 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -2.594 -16.140 -1.706 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -1.041 -15.657 -2.428 1.00 10.00 H new ATOM 230 N CYS A 17 -0.416 -12.613 -2.537 1.00 10.00 N ATOM 231 CA CYS A 17 0.698 -11.684 -2.454 1.00 10.00 C ATOM 232 C CYS A 17 0.155 -10.313 -2.056 1.00 10.00 C ATOM 233 O CYS A 17 0.602 -9.719 -1.077 1.00 10.00 O ATOM 234 CB CYS A 17 1.488 -11.630 -3.762 1.00 10.00 C ATOM 235 SG CYS A 17 2.351 -13.198 -4.024 1.00 10.00 S ATOM 0 H CYS A 17 -0.695 -12.863 -3.486 1.00 10.00 H new ATOM 0 HA CYS A 17 1.402 -12.025 -1.696 1.00 10.00 H new ATOM 0 HB2 CYS A 17 0.815 -11.432 -4.596 1.00 10.00 H new ATOM 0 HB3 CYS A 17 2.206 -10.810 -3.730 1.00 10.00 H new ATOM 0 HG CYS A 17 3.410 -12.995 -4.750 1.00 10.00 H new ATOM 241 N ALA A 18 -0.869 -9.861 -2.782 1.00 10.00 N ATOM 242 CA ALA A 18 -1.698 -8.713 -2.452 1.00 10.00 C ATOM 243 C ALA A 18 -2.093 -8.748 -0.968 1.00 10.00 C ATOM 244 O ALA A 18 -1.955 -7.768 -0.240 1.00 10.00 O ATOM 245 CB ALA A 18 -2.920 -8.710 -3.368 1.00 10.00 C ATOM 0 H ALA A 18 -1.151 -10.309 -3.654 1.00 10.00 H new ATOM 0 HA ALA A 18 -1.142 -7.789 -2.611 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -3.551 -7.853 -3.131 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -2.596 -8.645 -4.407 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -3.487 -9.629 -3.221 1.00 10.00 H new ATOM 251 N ASN A 19 -2.530 -9.908 -0.488 1.00 10.00 N ATOM 252 CA ASN A 19 -2.906 -10.065 0.908 1.00 10.00 C ATOM 253 C ASN A 19 -1.752 -9.737 1.868 1.00 10.00 C ATOM 254 O ASN A 19 -1.946 -9.206 2.961 1.00 10.00 O ATOM 255 CB ASN A 19 -3.438 -11.485 1.136 1.00 10.00 C ATOM 256 CG ASN A 19 -3.920 -11.728 2.560 1.00 10.00 C ATOM 257 OD1 ASN A 19 -3.830 -12.838 3.078 1.00 10.00 O ATOM 258 ND2 ASN A 19 -4.432 -10.708 3.224 1.00 10.00 N ATOM 0 H ASN A 19 -2.632 -10.754 -1.049 1.00 10.00 H new ATOM 0 HA ASN A 19 -3.694 -9.346 1.130 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -4.260 -11.673 0.445 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -2.652 -12.202 0.899 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -4.760 -10.836 4.181 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -4.500 -9.792 2.780 1.00 10.00 H new ATOM 265 N ARG A 20 -0.519 -10.047 1.469 1.00 10.00 N ATOM 266 CA ARG A 20 0.661 -9.765 2.264 1.00 10.00 C ATOM 267 C ARG A 20 0.859 -8.251 2.378 1.00 10.00 C ATOM 268 O ARG A 20 1.272 -7.768 3.435 1.00 10.00 O ATOM 269 CB ARG A 20 1.864 -10.485 1.641 1.00 10.00 C ATOM 270 CG ARG A 20 2.963 -10.777 2.665 1.00 10.00 C ATOM 271 CD ARG A 20 4.055 -11.616 1.985 1.00 10.00 C ATOM 272 NE ARG A 20 5.252 -11.794 2.825 1.00 10.00 N ATOM 273 CZ ARG A 20 5.367 -12.650 3.854 1.00 10.00 C ATOM 274 NH1 ARG A 20 4.300 -13.337 4.274 1.00 10.00 N ATOM 275 NH2 ARG A 20 6.551 -12.813 4.459 1.00 10.00 N ATOM 0 H ARG A 20 -0.317 -10.503 0.579 1.00 10.00 H new ATOM 0 HA ARG A 20 0.546 -10.141 3.281 1.00 10.00 H new ATOM 0 HB2 ARG A 20 1.531 -11.421 1.192 1.00 10.00 H new ATOM 0 HB3 ARG A 20 2.273 -9.874 0.837 1.00 10.00 H new ATOM 0 HG2 ARG A 20 3.383 -9.846 3.045 1.00 10.00 H new ATOM 0 HG3 ARG A 20 2.551 -11.313 3.520 1.00 10.00 H new ATOM 0 HD2 ARG A 20 3.648 -12.595 1.731 1.00 10.00 H new ATOM 0 HD3 ARG A 20 4.343 -11.137 1.049 1.00 10.00 H new ATOM 0 HE ARG A 20 6.064 -11.217 2.606 1.00 10.00 H new ATOM 0 HH11 ARG A 20 3.399 -13.211 3.813 1.00 10.00 H new ATOM 0 HH12 ARG A 20 4.387 -13.987 5.055 1.00 10.00 H new ATOM 0 HH21 ARG A 20 7.364 -12.287 4.138 1.00 10.00 H new ATOM 0 HH22 ARG A 20 6.639 -13.463 5.240 1.00 10.00 H new ATOM 289 N ILE A 21 0.532 -7.503 1.314 1.00 10.00 N ATOM 290 CA ILE A 21 0.516 -6.043 1.361 1.00 10.00 C ATOM 291 C ILE A 21 -0.324 -5.601 2.538 1.00 10.00 C ATOM 292 O ILE A 21 0.202 -4.922 3.408 1.00 10.00 O ATOM 293 CB ILE A 21 0.000 -5.357 0.080 1.00 10.00 C ATOM 294 CG1 ILE A 21 0.566 -6.066 -1.142 1.00 10.00 C ATOM 295 CG2 ILE A 21 0.386 -3.873 0.138 1.00 10.00 C ATOM 296 CD1 ILE A 21 0.328 -5.367 -2.483 1.00 10.00 C ATOM 0 H ILE A 21 0.274 -7.893 0.407 1.00 10.00 H new ATOM 0 HA ILE A 21 1.556 -5.733 1.461 1.00 10.00 H new ATOM 0 HB ILE A 21 -1.086 -5.421 0.006 1.00 10.00 H new ATOM 0 HG12 ILE A 21 1.640 -6.190 -1.003 1.00 10.00 H new ATOM 0 HG13 ILE A 21 0.134 -7.065 -1.192 1.00 10.00 H new ATOM 0 HG21 ILE A 21 0.030 -3.369 -0.760 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.067 -3.413 1.016 1.00 10.00 H new ATOM 0 HG23 ILE A 21 1.470 -3.781 0.200 1.00 10.00 H new ATOM 0 HD11 ILE A 21 0.772 -5.957 -3.285 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -0.744 -5.267 -2.656 1.00 10.00 H new ATOM 0 HD13 ILE A 21 0.786 -4.378 -2.464 1.00 10.00 H new ATOM 308 N GLU A 22 -1.594 -6.010 2.580 1.00 10.00 N ATOM 309 CA GLU A 22 -2.528 -5.607 3.621 1.00 10.00 C ATOM 310 C GLU A 22 -1.881 -5.706 5.001 1.00 10.00 C ATOM 311 O GLU A 22 -1.929 -4.768 5.781 1.00 10.00 O ATOM 312 CB GLU A 22 -3.794 -6.467 3.578 1.00 10.00 C ATOM 313 CG GLU A 22 -4.501 -6.439 2.219 1.00 10.00 C ATOM 314 CD GLU A 22 -5.757 -7.287 2.284 1.00 10.00 C ATOM 315 OE1 GLU A 22 -5.574 -8.521 2.341 1.00 10.00 O ATOM 316 OE2 GLU A 22 -6.857 -6.699 2.315 1.00 10.00 O ATOM 0 H GLU A 22 -2.001 -6.635 1.885 1.00 10.00 H new ATOM 0 HA GLU A 22 -2.802 -4.568 3.437 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.534 -7.497 3.823 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.486 -6.122 4.347 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -4.755 -5.414 1.951 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -3.835 -6.816 1.443 1.00 10.00 H new ATOM 323 N LYS A 23 -1.232 -6.831 5.295 1.00 10.00 N ATOM 324 CA LYS A 23 -0.600 -7.091 6.576 1.00 10.00 C ATOM 325 C LYS A 23 0.608 -6.171 6.772 1.00 10.00 C ATOM 326 O LYS A 23 0.770 -5.561 7.829 1.00 10.00 O ATOM 327 CB LYS A 23 -0.240 -8.587 6.671 1.00 10.00 C ATOM 328 CG LYS A 23 -0.957 -9.254 7.855 1.00 10.00 C ATOM 329 CD LYS A 23 -1.018 -10.784 7.723 1.00 10.00 C ATOM 330 CE LYS A 23 -2.133 -11.207 6.746 1.00 10.00 C ATOM 331 NZ LYS A 23 -2.311 -12.673 6.678 1.00 10.00 N ATOM 0 H LYS A 23 -1.132 -7.600 4.632 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.290 -6.867 7.390 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.516 -9.090 5.744 1.00 10.00 H new ATOM 0 HB3 LYS A 23 0.838 -8.698 6.785 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.443 -8.993 8.780 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -1.970 -8.859 7.931 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -0.058 -11.161 7.371 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -1.197 -11.231 8.701 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -3.072 -10.746 7.052 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -1.901 -10.827 5.751 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.072 -12.899 6.007 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -1.426 -13.116 6.359 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -2.560 -13.036 7.620 1.00 10.00 H new ATOM 345 N ARG A 24 1.465 -6.059 5.756 1.00 10.00 N ATOM 346 CA ARG A 24 2.666 -5.250 5.840 1.00 10.00 C ATOM 347 C ARG A 24 2.298 -3.777 6.037 1.00 10.00 C ATOM 348 O ARG A 24 2.984 -3.064 6.758 1.00 10.00 O ATOM 349 CB ARG A 24 3.505 -5.477 4.578 1.00 10.00 C ATOM 350 CG ARG A 24 4.957 -5.006 4.735 1.00 10.00 C ATOM 351 CD ARG A 24 5.962 -6.126 5.030 1.00 10.00 C ATOM 352 NE ARG A 24 5.865 -6.652 6.399 1.00 10.00 N ATOM 353 CZ ARG A 24 6.701 -7.579 6.897 1.00 10.00 C ATOM 354 NH1 ARG A 24 7.682 -8.067 6.128 1.00 10.00 N ATOM 355 NH2 ARG A 24 6.558 -8.006 8.156 1.00 10.00 N ATOM 0 H ARG A 24 1.341 -6.527 4.858 1.00 10.00 H new ATOM 0 HA ARG A 24 3.263 -5.544 6.703 1.00 10.00 H new ATOM 0 HB2 ARG A 24 3.497 -6.538 4.328 1.00 10.00 H new ATOM 0 HB3 ARG A 24 3.045 -4.950 3.742 1.00 10.00 H new ATOM 0 HG2 ARG A 24 5.260 -4.495 3.821 1.00 10.00 H new ATOM 0 HG3 ARG A 24 5.003 -4.273 5.541 1.00 10.00 H new ATOM 0 HD2 ARG A 24 5.804 -6.941 4.324 1.00 10.00 H new ATOM 0 HD3 ARG A 24 6.972 -5.751 4.864 1.00 10.00 H new ATOM 0 HE ARG A 24 5.124 -6.295 7.003 1.00 10.00 H new ATOM 0 HH11 ARG A 24 7.792 -7.735 5.170 1.00 10.00 H new ATOM 0 HH12 ARG A 24 8.320 -8.771 6.500 1.00 10.00 H new ATOM 0 HH21 ARG A 24 5.813 -7.628 8.741 1.00 10.00 H new ATOM 0 HH22 ARG A 24 7.194 -8.710 8.531 1.00 10.00 H new ATOM 369 N LEU A 25 1.218 -3.328 5.403 1.00 10.00 N ATOM 370 CA LEU A 25 0.663 -1.993 5.510 1.00 10.00 C ATOM 371 C LEU A 25 -0.134 -1.821 6.802 1.00 10.00 C ATOM 372 O LEU A 25 -0.081 -0.758 7.409 1.00 10.00 O ATOM 373 CB LEU A 25 -0.179 -1.707 4.257 1.00 10.00 C ATOM 374 CG LEU A 25 0.429 -0.545 3.468 1.00 10.00 C ATOM 375 CD1 LEU A 25 0.095 -0.664 1.978 1.00 10.00 C ATOM 376 CD2 LEU A 25 -0.112 0.757 4.069 1.00 10.00 C ATOM 0 H LEU A 25 0.683 -3.921 4.769 1.00 10.00 H new ATOM 0 HA LEU A 25 1.470 -1.262 5.561 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.226 -2.597 3.630 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.202 -1.465 4.544 1.00 10.00 H new ATOM 0 HG LEU A 25 1.516 -0.559 3.541 1.00 10.00 H new ATOM 0 HD11 LEU A 25 0.538 0.173 1.438 1.00 10.00 H new ATOM 0 HD12 LEU A 25 0.496 -1.600 1.589 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.987 -0.650 1.845 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.303 1.607 3.528 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.199 0.771 3.988 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.175 0.820 5.119 1.00 10.00 H new ATOM 388 N ASN A 26 -0.818 -2.863 7.274 1.00 10.00 N ATOM 389 CA ASN A 26 -1.524 -2.833 8.551 1.00 10.00 C ATOM 390 C ASN A 26 -0.519 -2.659 9.681 1.00 10.00 C ATOM 391 O ASN A 26 -0.896 -2.224 10.765 1.00 10.00 O ATOM 392 CB ASN A 26 -2.366 -4.098 8.784 1.00 10.00 C ATOM 393 CG ASN A 26 -3.655 -4.152 7.965 1.00 10.00 C ATOM 394 OD1 ASN A 26 -4.107 -3.158 7.405 1.00 10.00 O ATOM 395 ND2 ASN A 26 -4.277 -5.328 7.900 1.00 10.00 N ATOM 0 H ASN A 26 -0.897 -3.752 6.780 1.00 10.00 H new ATOM 0 HA ASN A 26 -2.214 -1.989 8.529 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -1.761 -4.973 8.546 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.618 -4.163 9.842 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -5.148 -5.416 7.377 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.882 -6.141 8.374 1.00 10.00 H new ATOM 402 N LYS A 27 0.761 -2.978 9.441 1.00 10.00 N ATOM 403 CA LYS A 27 1.797 -2.589 10.388 1.00 10.00 C ATOM 404 C LYS A 27 1.751 -1.074 10.672 1.00 10.00 C ATOM 405 O LYS A 27 2.013 -0.655 11.796 1.00 10.00 O ATOM 406 CB LYS A 27 3.195 -3.081 9.941 1.00 10.00 C ATOM 407 CG LYS A 27 4.099 -1.947 9.424 1.00 10.00 C ATOM 408 CD LYS A 27 5.580 -2.292 9.226 1.00 10.00 C ATOM 409 CE LYS A 27 5.855 -2.783 7.805 1.00 10.00 C ATOM 410 NZ LYS A 27 7.298 -2.713 7.472 1.00 10.00 N ATOM 0 H LYS A 27 1.090 -3.489 8.622 1.00 10.00 H new ATOM 0 HA LYS A 27 1.594 -3.088 11.335 1.00 10.00 H new ATOM 0 HB2 LYS A 27 3.685 -3.574 10.780 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.077 -3.829 9.157 1.00 10.00 H new ATOM 0 HG2 LYS A 27 3.699 -1.599 8.472 1.00 10.00 H new ATOM 0 HG3 LYS A 27 4.033 -1.112 10.122 1.00 10.00 H new ATOM 0 HD2 LYS A 27 6.190 -1.413 9.433 1.00 10.00 H new ATOM 0 HD3 LYS A 27 5.875 -3.060 9.941 1.00 10.00 H new ATOM 0 HE2 LYS A 27 5.507 -3.811 7.701 1.00 10.00 H new ATOM 0 HE3 LYS A 27 5.288 -2.181 7.095 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 7.447 -3.054 6.501 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 7.624 -1.728 7.547 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 7.836 -3.308 8.134 1.00 10.00 H new ATOM 424 N ILE A 28 1.536 -0.251 9.635 1.00 10.00 N ATOM 425 CA ILE A 28 1.585 1.199 9.733 1.00 10.00 C ATOM 426 C ILE A 28 0.560 1.682 10.756 1.00 10.00 C ATOM 427 O ILE A 28 -0.602 1.291 10.707 1.00 10.00 O ATOM 428 CB ILE A 28 1.351 1.836 8.349 1.00 10.00 C ATOM 429 CG1 ILE A 28 2.347 1.357 7.276 1.00 10.00 C ATOM 430 CG2 ILE A 28 1.402 3.358 8.463 1.00 10.00 C ATOM 431 CD1 ILE A 28 3.809 1.425 7.712 1.00 10.00 C ATOM 0 H ILE A 28 1.321 -0.587 8.696 1.00 10.00 H new ATOM 0 HA ILE A 28 2.573 1.508 10.073 1.00 10.00 H new ATOM 0 HB ILE A 28 0.363 1.512 8.021 1.00 10.00 H new ATOM 0 HG12 ILE A 28 2.107 0.329 7.005 1.00 10.00 H new ATOM 0 HG13 ILE A 28 2.217 1.962 6.379 1.00 10.00 H new ATOM 0 HG21 ILE A 28 1.236 3.802 7.482 1.00 10.00 H new ATOM 0 HG22 ILE A 28 0.627 3.698 9.151 1.00 10.00 H new ATOM 0 HG23 ILE A 28 2.379 3.662 8.838 1.00 10.00 H new ATOM 0 HD11 ILE A 28 4.447 1.071 6.902 1.00 10.00 H new ATOM 0 HD12 ILE A 28 4.069 2.455 7.955 1.00 10.00 H new ATOM 0 HD13 ILE A 28 3.956 0.797 8.591 1.00 10.00 H new ATOM 443 N GLU A 29 0.999 2.530 11.688 1.00 10.00 N ATOM 444 CA GLU A 29 0.162 2.933 12.802 1.00 10.00 C ATOM 445 C GLU A 29 -0.930 3.897 12.328 1.00 10.00 C ATOM 446 O GLU A 29 -2.110 3.674 12.589 1.00 10.00 O ATOM 447 CB GLU A 29 1.054 3.465 13.930 1.00 10.00 C ATOM 448 CG GLU A 29 0.258 3.777 15.205 1.00 10.00 C ATOM 449 CD GLU A 29 1.161 4.073 16.400 1.00 10.00 C ATOM 450 OE1 GLU A 29 2.395 4.087 16.202 1.00 10.00 O ATOM 451 OE2 GLU A 29 0.594 4.256 17.499 1.00 10.00 O ATOM 0 H GLU A 29 1.930 2.947 11.687 1.00 10.00 H new ATOM 0 HA GLU A 29 -0.380 2.084 13.218 1.00 10.00 H new ATOM 0 HB2 GLU A 29 1.826 2.730 14.157 1.00 10.00 H new ATOM 0 HB3 GLU A 29 1.563 4.368 13.592 1.00 10.00 H new ATOM 0 HG2 GLU A 29 -0.392 4.633 15.024 1.00 10.00 H new ATOM 0 HG3 GLU A 29 -0.388 2.932 15.442 1.00 10.00 H new ATOM 458 N GLY A 30 -0.580 4.940 11.564 1.00 10.00 N ATOM 459 CA GLY A 30 -1.548 5.936 11.130 1.00 10.00 C ATOM 460 C GLY A 30 -2.312 5.480 9.894 1.00 10.00 C ATOM 461 O GLY A 30 -2.544 6.277 8.987 1.00 10.00 O ATOM 0 H GLY A 30 0.371 5.110 11.237 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -2.251 6.136 11.939 1.00 10.00 H new ATOM 0 HA3 GLY A 30 -1.034 6.873 10.915 1.00 10.00 H new ATOM 465 N VAL A 31 -2.697 4.207 9.843 1.00 10.00 N ATOM 466 CA VAL A 31 -3.438 3.621 8.750 1.00 10.00 C ATOM 467 C VAL A 31 -4.885 3.442 9.211 1.00 10.00 C ATOM 468 O VAL A 31 -5.129 3.156 10.380 1.00 10.00 O ATOM 469 CB VAL A 31 -2.738 2.311 8.359 1.00 10.00 C ATOM 470 CG1 VAL A 31 -3.214 1.102 9.168 1.00 10.00 C ATOM 471 CG2 VAL A 31 -2.884 2.043 6.866 1.00 10.00 C ATOM 0 H VAL A 31 -2.491 3.542 10.588 1.00 10.00 H new ATOM 0 HA VAL A 31 -3.463 4.247 7.858 1.00 10.00 H new ATOM 0 HB VAL A 31 -1.684 2.449 8.599 1.00 10.00 H new ATOM 0 HG11 VAL A 31 -2.678 0.211 8.840 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -3.019 1.273 10.227 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -4.284 0.960 9.014 1.00 10.00 H new ATOM 0 HG21 VAL A 31 -2.380 1.110 6.613 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -3.941 1.965 6.612 1.00 10.00 H new ATOM 0 HG23 VAL A 31 -2.435 2.862 6.304 1.00 10.00 H new ATOM 481 N ALA A 32 -5.842 3.620 8.301 1.00 10.00 N ATOM 482 CA ALA A 32 -7.244 3.312 8.547 1.00 10.00 C ATOM 483 C ALA A 32 -7.621 2.047 7.788 1.00 10.00 C ATOM 484 O ALA A 32 -8.121 1.100 8.389 1.00 10.00 O ATOM 485 CB ALA A 32 -8.132 4.493 8.152 1.00 10.00 C ATOM 0 H ALA A 32 -5.661 3.985 7.366 1.00 10.00 H new ATOM 0 HA ALA A 32 -7.399 3.136 9.612 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -9.176 4.243 8.343 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -7.855 5.369 8.739 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -7.999 4.710 7.092 1.00 10.00 H new ATOM 491 N ASN A 33 -7.397 2.023 6.469 1.00 10.00 N ATOM 492 CA ASN A 33 -7.820 0.912 5.624 1.00 10.00 C ATOM 493 C ASN A 33 -6.760 0.675 4.557 1.00 10.00 C ATOM 494 O ASN A 33 -6.202 1.645 4.056 1.00 10.00 O ATOM 495 CB ASN A 33 -9.161 1.261 4.963 1.00 10.00 C ATOM 496 CG ASN A 33 -10.301 1.403 5.964 1.00 10.00 C ATOM 497 OD1 ASN A 33 -10.820 0.405 6.451 1.00 10.00 O ATOM 498 ND2 ASN A 33 -10.733 2.625 6.259 1.00 10.00 N ATOM 0 H ASN A 33 -6.920 2.770 5.965 1.00 10.00 H new ATOM 0 HA ASN A 33 -7.942 0.009 6.222 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -9.054 2.193 4.408 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -9.415 0.487 4.239 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -11.513 2.748 6.904 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -10.284 3.440 5.840 1.00 10.00 H new ATOM 505 N ALA A 34 -6.490 -0.581 4.185 1.00 10.00 N ATOM 506 CA ALA A 34 -5.555 -0.916 3.107 1.00 10.00 C ATOM 507 C ALA A 34 -6.100 -1.970 2.125 1.00 10.00 C ATOM 508 O ALA A 34 -5.445 -2.986 1.903 1.00 10.00 O ATOM 509 CB ALA A 34 -4.220 -1.350 3.729 1.00 10.00 C ATOM 0 H ALA A 34 -6.916 -1.397 4.625 1.00 10.00 H new ATOM 0 HA ALA A 34 -5.407 -0.023 2.499 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -3.515 -1.602 2.937 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -3.816 -0.534 4.329 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.380 -2.222 4.363 1.00 10.00 H new ATOM 515 N PRO A 35 -7.272 -1.753 1.504 1.00 10.00 N ATOM 516 CA PRO A 35 -7.895 -2.717 0.610 1.00 10.00 C ATOM 517 C PRO A 35 -7.212 -2.692 -0.762 1.00 10.00 C ATOM 518 O PRO A 35 -7.744 -2.145 -1.725 1.00 10.00 O ATOM 519 CB PRO A 35 -9.361 -2.281 0.534 1.00 10.00 C ATOM 520 CG PRO A 35 -9.261 -0.759 0.651 1.00 10.00 C ATOM 521 CD PRO A 35 -8.124 -0.587 1.656 1.00 10.00 C ATOM 0 HA PRO A 35 -7.806 -3.745 0.962 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.827 -2.586 -0.403 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -9.955 -2.712 1.340 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -9.032 -0.291 -0.307 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -10.191 -0.316 1.008 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -7.568 0.330 1.462 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -8.510 -0.516 2.673 1.00 10.00 H new ATOM 529 N VAL A 36 -6.018 -3.277 -0.857 1.00 10.00 N ATOM 530 CA VAL A 36 -5.267 -3.349 -2.095 1.00 10.00 C ATOM 531 C VAL A 36 -6.016 -4.148 -3.167 1.00 10.00 C ATOM 532 O VAL A 36 -6.784 -5.056 -2.843 1.00 10.00 O ATOM 533 CB VAL A 36 -3.876 -3.930 -1.811 1.00 10.00 C ATOM 534 CG1 VAL A 36 -3.281 -3.378 -0.505 1.00 10.00 C ATOM 535 CG2 VAL A 36 -3.880 -5.456 -1.731 1.00 10.00 C ATOM 0 H VAL A 36 -5.547 -3.716 -0.066 1.00 10.00 H new ATOM 0 HA VAL A 36 -5.149 -2.343 -2.497 1.00 10.00 H new ATOM 0 HB VAL A 36 -3.260 -3.622 -2.656 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -2.296 -3.815 -0.341 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -3.190 -2.294 -0.576 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -3.935 -3.633 0.329 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -2.870 -5.812 -1.528 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.546 -5.777 -0.930 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -4.227 -5.869 -2.678 1.00 10.00 H new ATOM 545 N ASN A 37 -5.760 -3.857 -4.447 1.00 10.00 N ATOM 546 CA ASN A 37 -6.415 -4.569 -5.536 1.00 10.00 C ATOM 547 C ASN A 37 -5.538 -5.727 -6.007 1.00 10.00 C ATOM 548 O ASN A 37 -4.325 -5.578 -6.130 1.00 10.00 O ATOM 549 CB ASN A 37 -6.721 -3.619 -6.689 1.00 10.00 C ATOM 550 CG ASN A 37 -7.540 -2.414 -6.240 1.00 10.00 C ATOM 551 OD1 ASN A 37 -6.996 -1.221 -6.424 1.00 10.00 O flip ATOM 552 ND2 ASN A 37 -8.651 -2.565 -5.741 1.00 10.00 N flip ATOM 0 H ASN A 37 -5.105 -3.135 -4.748 1.00 10.00 H new ATOM 0 HA ASN A 37 -7.359 -4.974 -5.173 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -5.786 -3.276 -7.133 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -7.264 -4.157 -7.466 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -9.032 -3.503 -5.618 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -9.194 -1.752 -5.449 1.00 10.00 H new ATOM 559 N PHE A 38 -6.152 -6.881 -6.282 1.00 10.00 N ATOM 560 CA PHE A 38 -5.468 -8.146 -6.537 1.00 10.00 C ATOM 561 C PHE A 38 -5.713 -8.640 -7.965 1.00 10.00 C ATOM 562 O PHE A 38 -5.984 -9.817 -8.191 1.00 10.00 O ATOM 563 CB PHE A 38 -5.912 -9.166 -5.483 1.00 10.00 C ATOM 564 CG PHE A 38 -7.399 -9.203 -5.178 1.00 10.00 C ATOM 565 CD1 PHE A 38 -7.933 -8.358 -4.186 1.00 10.00 C ATOM 566 CD2 PHE A 38 -8.239 -10.113 -5.849 1.00 10.00 C ATOM 567 CE1 PHE A 38 -9.301 -8.418 -3.871 1.00 10.00 C ATOM 568 CE2 PHE A 38 -9.604 -10.183 -5.519 1.00 10.00 C ATOM 569 CZ PHE A 38 -10.135 -9.337 -4.532 1.00 10.00 C ATOM 0 H PHE A 38 -7.168 -6.960 -6.334 1.00 10.00 H new ATOM 0 HA PHE A 38 -4.391 -8.003 -6.454 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -5.604 -10.158 -5.814 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -5.376 -8.958 -4.557 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -7.290 -7.663 -3.667 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -7.835 -10.757 -6.616 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -9.712 -7.758 -3.121 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -10.245 -10.889 -6.026 1.00 10.00 H new ATOM 0 HZ PHE A 38 -11.184 -9.392 -4.281 1.00 10.00 H new ATOM 579 N ALA A 39 -5.589 -7.727 -8.928 1.00 10.00 N ATOM 580 CA ALA A 39 -5.747 -7.983 -10.357 1.00 10.00 C ATOM 581 C ALA A 39 -5.428 -6.709 -11.138 1.00 10.00 C ATOM 582 O ALA A 39 -4.817 -6.751 -12.199 1.00 10.00 O ATOM 583 CB ALA A 39 -7.185 -8.419 -10.671 1.00 10.00 C ATOM 0 H ALA A 39 -5.367 -6.752 -8.725 1.00 10.00 H new ATOM 0 HA ALA A 39 -5.064 -8.782 -10.647 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -7.283 -8.605 -11.740 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.417 -9.331 -10.121 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.877 -7.631 -10.375 1.00 10.00 H new ATOM 589 N LEU A 40 -5.876 -5.573 -10.599 1.00 10.00 N ATOM 590 CA LEU A 40 -5.780 -4.267 -11.232 1.00 10.00 C ATOM 591 C LEU A 40 -4.350 -3.719 -11.171 1.00 10.00 C ATOM 592 O LEU A 40 -4.006 -2.814 -11.926 1.00 10.00 O ATOM 593 CB LEU A 40 -6.753 -3.297 -10.544 1.00 10.00 C ATOM 594 CG LEU A 40 -8.153 -3.871 -10.258 1.00 10.00 C ATOM 595 CD1 LEU A 40 -9.040 -2.737 -9.741 1.00 10.00 C ATOM 596 CD2 LEU A 40 -8.784 -4.546 -11.479 1.00 10.00 C ATOM 0 H LEU A 40 -6.327 -5.541 -9.685 1.00 10.00 H new ATOM 0 HA LEU A 40 -6.047 -4.371 -12.284 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -6.312 -2.971 -9.602 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -6.861 -2.411 -11.169 1.00 10.00 H new ATOM 0 HG LEU A 40 -8.057 -4.655 -9.507 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.038 -3.122 -9.532 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.610 -2.327 -8.827 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.105 -1.953 -10.495 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -9.769 -4.930 -11.214 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.883 -3.820 -12.286 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -8.150 -5.369 -11.808 1.00 10.00 H new ATOM 608 N GLU A 41 -3.545 -4.250 -10.242 1.00 10.00 N ATOM 609 CA GLU A 41 -2.166 -3.850 -9.989 1.00 10.00 C ATOM 610 C GLU A 41 -2.128 -2.401 -9.517 1.00 10.00 C ATOM 611 O GLU A 41 -1.348 -1.578 -9.994 1.00 10.00 O ATOM 612 CB GLU A 41 -1.251 -4.152 -11.184 1.00 10.00 C ATOM 613 CG GLU A 41 -1.206 -5.664 -11.431 1.00 10.00 C ATOM 614 CD GLU A 41 -0.084 -6.070 -12.375 1.00 10.00 C ATOM 615 OE1 GLU A 41 1.086 -5.874 -11.985 1.00 10.00 O ATOM 616 OE2 GLU A 41 -0.419 -6.653 -13.427 1.00 10.00 O ATOM 0 H GLU A 41 -3.855 -5.000 -9.624 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.757 -4.454 -9.179 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -1.617 -3.639 -12.073 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.247 -3.775 -10.990 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -1.080 -6.180 -10.479 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -2.160 -5.989 -11.846 1.00 10.00 H new ATOM 623 N THR A 42 -2.972 -2.125 -8.523 1.00 10.00 N ATOM 624 CA THR A 42 -3.057 -0.865 -7.819 1.00 10.00 C ATOM 625 C THR A 42 -3.275 -1.180 -6.342 1.00 10.00 C ATOM 626 O THR A 42 -4.193 -1.919 -5.984 1.00 10.00 O ATOM 627 CB THR A 42 -4.209 -0.029 -8.388 1.00 10.00 C ATOM 628 OG1 THR A 42 -5.357 -0.830 -8.587 1.00 10.00 O ATOM 629 CG2 THR A 42 -3.810 0.602 -9.723 1.00 10.00 C ATOM 0 H THR A 42 -3.642 -2.812 -8.178 1.00 10.00 H new ATOM 0 HA THR A 42 -2.143 -0.283 -7.939 1.00 10.00 H new ATOM 0 HB THR A 42 -4.434 0.756 -7.667 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.924 -0.794 -7.788 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.641 1.191 -10.110 1.00 10.00 H new ATOM 0 HG22 THR A 42 -2.945 1.248 -9.576 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.559 -0.183 -10.436 1.00 10.00 H new ATOM 637 N VAL A 43 -2.423 -0.639 -5.476 1.00 10.00 N ATOM 638 CA VAL A 43 -2.682 -0.654 -4.045 1.00 10.00 C ATOM 639 C VAL A 43 -3.421 0.637 -3.705 1.00 10.00 C ATOM 640 O VAL A 43 -3.039 1.709 -4.170 1.00 10.00 O ATOM 641 CB VAL A 43 -1.368 -0.786 -3.267 1.00 10.00 C ATOM 642 CG1 VAL A 43 -1.528 -0.445 -1.784 1.00 10.00 C ATOM 643 CG2 VAL A 43 -0.770 -2.190 -3.381 1.00 10.00 C ATOM 0 H VAL A 43 -1.549 -0.186 -5.743 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.295 -1.510 -3.763 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.691 -0.065 -3.726 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.568 -0.555 -1.280 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.876 0.583 -1.683 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.255 -1.120 -1.332 1.00 10.00 H new ATOM 0 HG21 VAL A 43 0.160 -2.237 -2.814 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.475 -2.919 -2.982 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.568 -2.416 -4.428 1.00 10.00 H new ATOM 653 N THR A 44 -4.456 0.521 -2.876 1.00 10.00 N ATOM 654 CA THR A 44 -5.274 1.610 -2.395 1.00 10.00 C ATOM 655 C THR A 44 -5.156 1.621 -0.872 1.00 10.00 C ATOM 656 O THR A 44 -5.421 0.588 -0.254 1.00 10.00 O ATOM 657 CB THR A 44 -6.722 1.321 -2.819 1.00 10.00 C ATOM 658 OG1 THR A 44 -6.848 1.030 -4.204 1.00 10.00 O ATOM 659 CG2 THR A 44 -7.642 2.458 -2.380 1.00 10.00 C ATOM 0 H THR A 44 -4.754 -0.383 -2.509 1.00 10.00 H new ATOM 0 HA THR A 44 -4.965 2.575 -2.796 1.00 10.00 H new ATOM 0 HB THR A 44 -7.036 0.412 -2.305 1.00 10.00 H new ATOM 0 HG1 THR A 44 -6.373 1.710 -4.726 1.00 10.00 H new ATOM 0 HG21 THR A 44 -8.664 2.238 -2.688 1.00 10.00 H new ATOM 0 HG22 THR A 44 -7.603 2.559 -1.295 1.00 10.00 H new ATOM 0 HG23 THR A 44 -7.316 3.389 -2.843 1.00 10.00 H new ATOM 667 N VAL A 45 -4.765 2.746 -0.255 1.00 10.00 N ATOM 668 CA VAL A 45 -4.730 2.852 1.201 1.00 10.00 C ATOM 669 C VAL A 45 -5.340 4.171 1.655 1.00 10.00 C ATOM 670 O VAL A 45 -5.214 5.197 0.990 1.00 10.00 O ATOM 671 CB VAL A 45 -3.294 2.692 1.720 1.00 10.00 C ATOM 672 CG1 VAL A 45 -3.150 2.879 3.237 1.00 10.00 C ATOM 673 CG2 VAL A 45 -2.752 1.304 1.376 1.00 10.00 C ATOM 0 H VAL A 45 -4.470 3.590 -0.745 1.00 10.00 H new ATOM 0 HA VAL A 45 -5.328 2.045 1.624 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.729 3.483 1.227 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -2.106 2.750 3.522 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -3.480 3.880 3.513 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -3.761 2.140 3.754 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.733 1.208 1.751 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -3.382 0.543 1.837 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.754 1.170 0.294 1.00 10.00 H new ATOM 683 N GLU A 46 -5.986 4.117 2.817 1.00 10.00 N ATOM 684 CA GLU A 46 -6.477 5.231 3.589 1.00 10.00 C ATOM 685 C GLU A 46 -5.515 5.386 4.775 1.00 10.00 C ATOM 686 O GLU A 46 -5.536 4.539 5.671 1.00 10.00 O ATOM 687 CB GLU A 46 -7.908 4.887 4.028 1.00 10.00 C ATOM 688 CG GLU A 46 -8.829 6.099 4.107 1.00 10.00 C ATOM 689 CD GLU A 46 -10.225 5.586 4.408 1.00 10.00 C ATOM 690 OE1 GLU A 46 -10.405 5.163 5.567 1.00 10.00 O ATOM 691 OE2 GLU A 46 -11.033 5.484 3.456 1.00 10.00 O ATOM 0 H GLU A 46 -6.189 3.224 3.267 1.00 10.00 H new ATOM 0 HA GLU A 46 -6.514 6.172 3.040 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -8.330 4.165 3.329 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -7.873 4.403 5.004 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -8.495 6.785 4.886 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -8.817 6.653 3.168 1.00 10.00 H new ATOM 698 N TYR A 47 -4.654 6.412 4.781 1.00 10.00 N ATOM 699 CA TYR A 47 -3.708 6.659 5.871 1.00 10.00 C ATOM 700 C TYR A 47 -3.613 8.146 6.176 1.00 10.00 C ATOM 701 O TYR A 47 -3.856 8.971 5.303 1.00 10.00 O ATOM 702 CB TYR A 47 -2.312 6.094 5.564 1.00 10.00 C ATOM 703 CG TYR A 47 -1.493 6.882 4.554 1.00 10.00 C ATOM 704 CD1 TYR A 47 -0.702 7.959 4.997 1.00 10.00 C ATOM 705 CD2 TYR A 47 -1.545 6.586 3.178 1.00 10.00 C ATOM 706 CE1 TYR A 47 -0.099 8.826 4.073 1.00 10.00 C ATOM 707 CE2 TYR A 47 -0.844 7.391 2.261 1.00 10.00 C ATOM 708 CZ TYR A 47 -0.176 8.544 2.701 1.00 10.00 C ATOM 709 OH TYR A 47 0.402 9.381 1.795 1.00 10.00 O ATOM 0 H TYR A 47 -4.596 7.095 4.026 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.091 6.138 6.748 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -1.750 6.037 6.496 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -2.425 5.074 5.197 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -0.558 8.119 6.055 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -2.122 5.743 2.827 1.00 10.00 H new ATOM 0 HE1 TYR A 47 0.422 9.707 4.417 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -0.820 7.121 1.216 1.00 10.00 H new ATOM 0 HH TYR A 47 0.255 9.035 0.890 1.00 10.00 H new ATOM 719 N ASN A 48 -3.241 8.484 7.408 1.00 10.00 N ATOM 720 CA ASN A 48 -3.014 9.864 7.827 1.00 10.00 C ATOM 721 C ASN A 48 -1.534 10.213 7.701 1.00 10.00 C ATOM 722 O ASN A 48 -0.711 9.500 8.271 1.00 10.00 O ATOM 723 CB ASN A 48 -3.505 10.132 9.260 1.00 10.00 C ATOM 724 CG ASN A 48 -2.804 9.361 10.386 1.00 10.00 C ATOM 725 OD1 ASN A 48 -1.668 9.641 10.765 1.00 10.00 O ATOM 726 ND2 ASN A 48 -3.517 8.429 11.010 1.00 10.00 N ATOM 0 H ASN A 48 -3.087 7.801 8.150 1.00 10.00 H new ATOM 0 HA ASN A 48 -3.598 10.503 7.165 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -3.400 11.198 9.461 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -4.570 9.903 9.303 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -3.123 7.938 11.812 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -4.458 8.205 10.687 1.00 10.00 H new ATOM 733 N PRO A 49 -1.159 11.314 7.031 1.00 10.00 N ATOM 734 CA PRO A 49 0.200 11.826 7.067 1.00 10.00 C ATOM 735 C PRO A 49 0.429 12.532 8.411 1.00 10.00 C ATOM 736 O PRO A 49 0.757 13.716 8.447 1.00 10.00 O ATOM 737 CB PRO A 49 0.285 12.771 5.863 1.00 10.00 C ATOM 738 CG PRO A 49 -1.126 13.352 5.788 1.00 10.00 C ATOM 739 CD PRO A 49 -2.013 12.192 6.246 1.00 10.00 C ATOM 0 HA PRO A 49 0.973 11.061 6.998 1.00 10.00 H new ATOM 0 HB2 PRO A 49 1.035 13.548 6.011 1.00 10.00 H new ATOM 0 HB3 PRO A 49 0.553 12.239 4.950 1.00 10.00 H new ATOM 0 HG2 PRO A 49 -1.237 14.222 6.435 1.00 10.00 H new ATOM 0 HG3 PRO A 49 -1.375 13.673 4.777 1.00 10.00 H new ATOM 0 HD2 PRO A 49 -2.851 12.554 6.841 1.00 10.00 H new ATOM 0 HD3 PRO A 49 -2.434 11.663 5.391 1.00 10.00 H new ATOM 747 N LYS A 50 0.242 11.805 9.519 1.00 10.00 N ATOM 748 CA LYS A 50 0.491 12.290 10.873 1.00 10.00 C ATOM 749 C LYS A 50 1.464 11.307 11.513 1.00 10.00 C ATOM 750 O LYS A 50 2.509 11.712 12.018 1.00 10.00 O ATOM 751 CB LYS A 50 -0.838 12.492 11.640 1.00 10.00 C ATOM 752 CG LYS A 50 -0.927 11.919 13.071 1.00 10.00 C ATOM 753 CD LYS A 50 -0.021 12.676 14.059 1.00 10.00 C ATOM 754 CE LYS A 50 0.878 11.768 14.915 1.00 10.00 C ATOM 755 NZ LYS A 50 0.146 10.892 15.849 1.00 10.00 N ATOM 0 H LYS A 50 -0.094 10.842 9.494 1.00 10.00 H new ATOM 0 HA LYS A 50 0.948 13.280 10.887 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -1.037 13.562 11.693 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -1.639 12.048 11.049 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -1.960 11.969 13.417 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -0.646 10.866 13.057 1.00 10.00 H new ATOM 0 HD2 LYS A 50 0.609 13.368 13.500 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -0.646 13.277 14.720 1.00 10.00 H new ATOM 0 HE2 LYS A 50 1.483 11.148 14.253 1.00 10.00 H new ATOM 0 HE3 LYS A 50 1.566 12.392 15.485 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 0.821 10.290 16.362 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -0.384 11.475 16.528 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -0.516 10.293 15.316 1.00 10.00 H new ATOM 769 N GLU A 51 1.119 10.019 11.478 1.00 10.00 N ATOM 770 CA GLU A 51 1.923 8.967 12.077 1.00 10.00 C ATOM 771 C GLU A 51 2.946 8.426 11.070 1.00 10.00 C ATOM 772 O GLU A 51 4.092 8.168 11.426 1.00 10.00 O ATOM 773 CB GLU A 51 0.982 7.857 12.570 1.00 10.00 C ATOM 774 CG GLU A 51 1.394 7.327 13.949 1.00 10.00 C ATOM 775 CD GLU A 51 0.910 8.258 15.043 1.00 10.00 C ATOM 776 OE1 GLU A 51 -0.315 8.524 15.075 1.00 10.00 O ATOM 777 OE2 GLU A 51 1.737 8.869 15.755 1.00 10.00 O ATOM 0 H GLU A 51 0.268 9.680 11.029 1.00 10.00 H new ATOM 0 HA GLU A 51 2.486 9.364 12.922 1.00 10.00 H new ATOM 0 HB2 GLU A 51 -0.037 8.240 12.618 1.00 10.00 H new ATOM 0 HB3 GLU A 51 0.980 7.037 11.852 1.00 10.00 H new ATOM 0 HG2 GLU A 51 0.978 6.331 14.101 1.00 10.00 H new ATOM 0 HG3 GLU A 51 2.479 7.231 13.999 1.00 10.00 H new ATOM 784 N ALA A 52 2.515 8.227 9.820 1.00 10.00 N ATOM 785 CA ALA A 52 3.282 7.570 8.770 1.00 10.00 C ATOM 786 C ALA A 52 2.885 8.195 7.436 1.00 10.00 C ATOM 787 O ALA A 52 1.744 8.621 7.281 1.00 10.00 O ATOM 788 CB ALA A 52 2.952 6.085 8.789 1.00 10.00 C ATOM 0 H ALA A 52 1.593 8.530 9.507 1.00 10.00 H new ATOM 0 HA ALA A 52 4.354 7.693 8.921 1.00 10.00 H new ATOM 0 HB1 ALA A 52 3.518 5.577 8.008 1.00 10.00 H new ATOM 0 HB2 ALA A 52 3.216 5.666 9.760 1.00 10.00 H new ATOM 0 HB3 ALA A 52 1.885 5.947 8.612 1.00 10.00 H new ATOM 794 N SER A 53 3.809 8.279 6.481 1.00 10.00 N ATOM 795 CA SER A 53 3.576 8.863 5.171 1.00 10.00 C ATOM 796 C SER A 53 3.477 7.758 4.120 1.00 10.00 C ATOM 797 O SER A 53 3.525 6.566 4.428 1.00 10.00 O ATOM 798 CB SER A 53 4.729 9.826 4.862 1.00 10.00 C ATOM 799 OG SER A 53 5.907 9.106 4.545 1.00 10.00 O ATOM 0 H SER A 53 4.761 7.934 6.604 1.00 10.00 H new ATOM 0 HA SER A 53 2.636 9.414 5.157 1.00 10.00 H new ATOM 0 HB2 SER A 53 4.456 10.473 4.028 1.00 10.00 H new ATOM 0 HB3 SER A 53 4.911 10.472 5.721 1.00 10.00 H new ATOM 0 HG SER A 53 6.207 8.606 5.333 1.00 10.00 H new ATOM 805 N VAL A 54 3.429 8.155 2.845 1.00 10.00 N ATOM 806 CA VAL A 54 3.630 7.200 1.773 1.00 10.00 C ATOM 807 C VAL A 54 5.016 6.573 1.853 1.00 10.00 C ATOM 808 O VAL A 54 5.209 5.436 1.442 1.00 10.00 O ATOM 809 CB VAL A 54 3.422 7.827 0.396 1.00 10.00 C ATOM 810 CG1 VAL A 54 4.620 8.645 -0.109 1.00 10.00 C ATOM 811 CG2 VAL A 54 3.063 6.693 -0.584 1.00 10.00 C ATOM 0 H VAL A 54 3.256 9.114 2.542 1.00 10.00 H new ATOM 0 HA VAL A 54 2.878 6.421 1.903 1.00 10.00 H new ATOM 0 HB VAL A 54 2.613 8.554 0.471 1.00 10.00 H new ATOM 0 HG11 VAL A 54 4.391 9.056 -1.092 1.00 10.00 H new ATOM 0 HG12 VAL A 54 4.823 9.460 0.586 1.00 10.00 H new ATOM 0 HG13 VAL A 54 5.497 8.001 -0.180 1.00 10.00 H new ATOM 0 HG21 VAL A 54 2.907 7.108 -1.580 1.00 10.00 H new ATOM 0 HG22 VAL A 54 3.877 5.969 -0.616 1.00 10.00 H new ATOM 0 HG23 VAL A 54 2.150 6.199 -0.250 1.00 10.00 H new ATOM 821 N SER A 55 6.009 7.329 2.322 1.00 10.00 N ATOM 822 CA SER A 55 7.386 6.846 2.348 1.00 10.00 C ATOM 823 C SER A 55 7.452 5.514 3.102 1.00 10.00 C ATOM 824 O SER A 55 8.103 4.564 2.655 1.00 10.00 O ATOM 825 CB SER A 55 8.327 7.885 2.964 1.00 10.00 C ATOM 826 OG SER A 55 9.657 7.568 2.600 1.00 10.00 O ATOM 0 H SER A 55 5.885 8.273 2.687 1.00 10.00 H new ATOM 0 HA SER A 55 7.720 6.682 1.323 1.00 10.00 H new ATOM 0 HB2 SER A 55 8.068 8.884 2.613 1.00 10.00 H new ATOM 0 HB3 SER A 55 8.224 7.891 4.049 1.00 10.00 H new ATOM 0 HG SER A 55 10.269 8.228 2.988 1.00 10.00 H new ATOM 832 N ASP A 56 6.749 5.451 4.231 1.00 10.00 N ATOM 833 CA ASP A 56 6.733 4.338 5.155 1.00 10.00 C ATOM 834 C ASP A 56 6.133 3.125 4.454 1.00 10.00 C ATOM 835 O ASP A 56 6.743 2.060 4.380 1.00 10.00 O ATOM 836 CB ASP A 56 5.905 4.740 6.386 1.00 10.00 C ATOM 837 CG ASP A 56 6.324 6.083 6.972 1.00 10.00 C ATOM 838 OD1 ASP A 56 6.190 7.091 6.235 1.00 10.00 O ATOM 839 OD2 ASP A 56 6.731 6.095 8.150 1.00 10.00 O ATOM 0 H ASP A 56 6.148 6.217 4.534 1.00 10.00 H new ATOM 0 HA ASP A 56 7.741 4.081 5.481 1.00 10.00 H new ATOM 0 HB2 ASP A 56 4.851 4.783 6.110 1.00 10.00 H new ATOM 0 HB3 ASP A 56 6.003 3.969 7.151 1.00 10.00 H new ATOM 844 N LEU A 57 4.931 3.288 3.906 1.00 10.00 N ATOM 845 CA LEU A 57 4.245 2.185 3.246 1.00 10.00 C ATOM 846 C LEU A 57 4.969 1.771 1.957 1.00 10.00 C ATOM 847 O LEU A 57 5.181 0.580 1.727 1.00 10.00 O ATOM 848 CB LEU A 57 2.745 2.463 3.106 1.00 10.00 C ATOM 849 CG LEU A 57 2.390 3.661 2.220 1.00 10.00 C ATOM 850 CD1 LEU A 57 2.189 3.220 0.774 1.00 10.00 C ATOM 851 CD2 LEU A 57 1.130 4.381 2.709 1.00 10.00 C ATOM 0 H LEU A 57 4.416 4.169 3.907 1.00 10.00 H new ATOM 0 HA LEU A 57 4.294 1.299 3.879 1.00 10.00 H new ATOM 0 HB2 LEU A 57 2.262 1.574 2.700 1.00 10.00 H new ATOM 0 HB3 LEU A 57 2.327 2.628 4.099 1.00 10.00 H new ATOM 0 HG LEU A 57 3.227 4.357 2.278 1.00 10.00 H new ATOM 0 HD11 LEU A 57 1.938 4.086 0.161 1.00 10.00 H new ATOM 0 HD12 LEU A 57 3.107 2.766 0.401 1.00 10.00 H new ATOM 0 HD13 LEU A 57 1.378 2.493 0.725 1.00 10.00 H new ATOM 0 HD21 LEU A 57 0.915 5.224 2.052 1.00 10.00 H new ATOM 0 HD22 LEU A 57 0.288 3.689 2.699 1.00 10.00 H new ATOM 0 HD23 LEU A 57 1.289 4.744 3.724 1.00 10.00 H new ATOM 863 N LYS A 58 5.430 2.726 1.142 1.00 10.00 N ATOM 864 CA LYS A 58 6.409 2.459 0.107 1.00 10.00 C ATOM 865 C LYS A 58 7.544 1.580 0.618 1.00 10.00 C ATOM 866 O LYS A 58 7.867 0.595 -0.032 1.00 10.00 O ATOM 867 CB LYS A 58 6.919 3.786 -0.463 1.00 10.00 C ATOM 868 CG LYS A 58 7.945 3.590 -1.581 1.00 10.00 C ATOM 869 CD LYS A 58 9.286 4.289 -1.300 1.00 10.00 C ATOM 870 CE LYS A 58 10.226 3.556 -0.323 1.00 10.00 C ATOM 871 NZ LYS A 58 10.161 4.065 1.067 1.00 10.00 N ATOM 0 H LYS A 58 5.130 3.700 1.189 1.00 10.00 H new ATOM 0 HA LYS A 58 5.932 1.897 -0.696 1.00 10.00 H new ATOM 0 HB2 LYS A 58 6.076 4.361 -0.845 1.00 10.00 H new ATOM 0 HB3 LYS A 58 7.368 4.373 0.338 1.00 10.00 H new ATOM 0 HG2 LYS A 58 8.121 2.523 -1.722 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.532 3.971 -2.515 1.00 10.00 H new ATOM 0 HD2 LYS A 58 9.809 4.426 -2.246 1.00 10.00 H new ATOM 0 HD3 LYS A 58 9.081 5.283 -0.902 1.00 10.00 H new ATOM 0 HE2 LYS A 58 9.978 2.495 -0.323 1.00 10.00 H new ATOM 0 HE3 LYS A 58 11.251 3.644 -0.684 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 10.685 3.424 1.696 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 10.584 5.014 1.109 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 9.168 4.115 1.372 1.00 10.00 H new ATOM 885 N GLU A 59 8.167 1.922 1.750 1.00 10.00 N ATOM 886 CA GLU A 59 9.247 1.122 2.298 1.00 10.00 C ATOM 887 C GLU A 59 8.751 -0.289 2.587 1.00 10.00 C ATOM 888 O GLU A 59 9.398 -1.270 2.240 1.00 10.00 O ATOM 889 CB GLU A 59 9.765 1.769 3.582 1.00 10.00 C ATOM 890 CG GLU A 59 11.198 1.312 3.861 1.00 10.00 C ATOM 891 CD GLU A 59 11.352 0.834 5.299 1.00 10.00 C ATOM 892 OE1 GLU A 59 10.869 -0.288 5.574 1.00 10.00 O ATOM 893 OE2 GLU A 59 11.923 1.609 6.092 1.00 10.00 O ATOM 0 H GLU A 59 7.936 2.750 2.299 1.00 10.00 H new ATOM 0 HA GLU A 59 10.059 1.068 1.573 1.00 10.00 H new ATOM 0 HB2 GLU A 59 9.733 2.855 3.490 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.120 1.501 4.419 1.00 10.00 H new ATOM 0 HG2 GLU A 59 11.466 0.507 3.177 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.888 2.134 3.672 1.00 10.00 H new ATOM 900 N ALA A 60 7.573 -0.380 3.200 1.00 10.00 N ATOM 901 CA ALA A 60 6.945 -1.650 3.521 1.00 10.00 C ATOM 902 C ALA A 60 6.891 -2.543 2.276 1.00 10.00 C ATOM 903 O ALA A 60 7.313 -3.700 2.315 1.00 10.00 O ATOM 904 CB ALA A 60 5.564 -1.401 4.140 1.00 10.00 C ATOM 0 H ALA A 60 7.028 0.433 3.488 1.00 10.00 H new ATOM 0 HA ALA A 60 7.538 -2.185 4.263 1.00 10.00 H new ATOM 0 HB1 ALA A 60 5.095 -2.355 4.380 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.674 -0.812 5.051 1.00 10.00 H new ATOM 0 HB3 ALA A 60 4.940 -0.858 3.430 1.00 10.00 H new ATOM 910 N VAL A 61 6.401 -1.996 1.162 1.00 10.00 N ATOM 911 CA VAL A 61 6.337 -2.715 -0.107 1.00 10.00 C ATOM 912 C VAL A 61 7.733 -2.982 -0.695 1.00 10.00 C ATOM 913 O VAL A 61 8.031 -4.102 -1.112 1.00 10.00 O ATOM 914 CB VAL A 61 5.364 -2.017 -1.067 1.00 10.00 C ATOM 915 CG1 VAL A 61 5.292 -2.788 -2.389 1.00 10.00 C ATOM 916 CG2 VAL A 61 3.956 -1.988 -0.456 1.00 10.00 C ATOM 0 H VAL A 61 6.039 -1.044 1.116 1.00 10.00 H new ATOM 0 HA VAL A 61 5.929 -3.710 0.071 1.00 10.00 H new ATOM 0 HB VAL A 61 5.721 -1.002 -1.241 1.00 10.00 H new ATOM 0 HG11 VAL A 61 4.600 -2.287 -3.065 1.00 10.00 H new ATOM 0 HG12 VAL A 61 6.282 -2.823 -2.844 1.00 10.00 H new ATOM 0 HG13 VAL A 61 4.943 -3.803 -2.200 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.271 -1.491 -1.143 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.615 -3.008 -0.279 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.980 -1.444 0.488 1.00 10.00 H new ATOM 926 N ASP A 62 8.619 -1.988 -0.665 1.00 10.00 N ATOM 927 CA ASP A 62 9.994 -2.131 -1.129 1.00 10.00 C ATOM 928 C ASP A 62 10.639 -3.331 -0.418 1.00 10.00 C ATOM 929 O ASP A 62 11.289 -4.173 -1.034 1.00 10.00 O ATOM 930 CB ASP A 62 10.742 -0.810 -0.881 1.00 10.00 C ATOM 931 CG ASP A 62 11.974 -0.652 -1.760 1.00 10.00 C ATOM 932 OD1 ASP A 62 13.001 -1.269 -1.413 1.00 10.00 O ATOM 933 OD2 ASP A 62 11.875 0.120 -2.744 1.00 10.00 O ATOM 0 H ASP A 62 8.399 -1.055 -0.315 1.00 10.00 H new ATOM 0 HA ASP A 62 10.036 -2.331 -2.200 1.00 10.00 H new ATOM 0 HB2 ASP A 62 10.064 0.025 -1.061 1.00 10.00 H new ATOM 0 HB3 ASP A 62 11.040 -0.758 0.166 1.00 10.00 H new ATOM 938 N LYS A 63 10.356 -3.463 0.883 1.00 10.00 N ATOM 939 CA LYS A 63 10.865 -4.514 1.739 1.00 10.00 C ATOM 940 C LYS A 63 10.159 -5.844 1.467 1.00 10.00 C ATOM 941 O LYS A 63 10.802 -6.890 1.533 1.00 10.00 O ATOM 942 CB LYS A 63 10.728 -4.076 3.203 1.00 10.00 C ATOM 943 CG LYS A 63 11.654 -4.879 4.124 1.00 10.00 C ATOM 944 CD LYS A 63 13.123 -4.445 3.966 1.00 10.00 C ATOM 945 CE LYS A 63 14.049 -5.656 3.782 1.00 10.00 C ATOM 946 NZ LYS A 63 15.456 -5.250 3.582 1.00 10.00 N ATOM 0 H LYS A 63 9.744 -2.813 1.376 1.00 10.00 H new ATOM 0 HA LYS A 63 11.920 -4.680 1.522 1.00 10.00 H new ATOM 0 HB2 LYS A 63 10.961 -3.015 3.289 1.00 10.00 H new ATOM 0 HB3 LYS A 63 9.695 -4.203 3.526 1.00 10.00 H new ATOM 0 HG2 LYS A 63 11.344 -4.745 5.160 1.00 10.00 H new ATOM 0 HG3 LYS A 63 11.561 -5.941 3.898 1.00 10.00 H new ATOM 0 HD2 LYS A 63 13.217 -3.780 3.108 1.00 10.00 H new ATOM 0 HD3 LYS A 63 13.433 -3.878 4.844 1.00 10.00 H new ATOM 0 HE2 LYS A 63 13.979 -6.303 4.657 1.00 10.00 H new ATOM 0 HE3 LYS A 63 13.715 -6.241 2.925 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 16.048 -6.097 3.462 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 15.528 -4.654 2.733 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 15.784 -4.713 4.410 1.00 10.00 H new ATOM 960 N LEU A 64 8.852 -5.833 1.173 1.00 10.00 N ATOM 961 CA LEU A 64 8.172 -7.012 0.652 1.00 10.00 C ATOM 962 C LEU A 64 8.894 -7.601 -0.566 1.00 10.00 C ATOM 963 O LEU A 64 8.905 -8.820 -0.723 1.00 10.00 O ATOM 964 CB LEU A 64 6.725 -6.674 0.289 1.00 10.00 C ATOM 965 CG LEU A 64 5.788 -6.679 1.493 1.00 10.00 C ATOM 966 CD1 LEU A 64 4.537 -5.849 1.206 1.00 10.00 C ATOM 967 CD2 LEU A 64 5.371 -8.112 1.831 1.00 10.00 C ATOM 0 H LEU A 64 8.250 -5.018 1.289 1.00 10.00 H new ATOM 0 HA LEU A 64 8.182 -7.766 1.439 1.00 10.00 H new ATOM 0 HB2 LEU A 64 6.695 -5.692 -0.183 1.00 10.00 H new ATOM 0 HB3 LEU A 64 6.364 -7.392 -0.447 1.00 10.00 H new ATOM 0 HG LEU A 64 6.321 -6.243 2.338 1.00 10.00 H new ATOM 0 HD11 LEU A 64 3.882 -5.865 2.077 1.00 10.00 H new ATOM 0 HD12 LEU A 64 4.825 -4.821 0.988 1.00 10.00 H new ATOM 0 HD13 LEU A 64 4.011 -6.268 0.348 1.00 10.00 H new ATOM 0 HD21 LEU A 64 4.702 -8.103 2.692 1.00 10.00 H new ATOM 0 HD22 LEU A 64 4.857 -8.552 0.977 1.00 10.00 H new ATOM 0 HD23 LEU A 64 6.256 -8.703 2.065 1.00 10.00 H new ATOM 979 N GLY A 65 9.490 -6.753 -1.410 1.00 10.00 N ATOM 980 CA GLY A 65 10.390 -7.186 -2.476 1.00 10.00 C ATOM 981 C GLY A 65 9.819 -6.942 -3.871 1.00 10.00 C ATOM 982 O GLY A 65 10.205 -7.613 -4.826 1.00 10.00 O ATOM 0 H GLY A 65 9.359 -5.742 -1.370 1.00 10.00 H new ATOM 0 HA2 GLY A 65 11.339 -6.659 -2.380 1.00 10.00 H new ATOM 0 HA3 GLY A 65 10.602 -8.248 -2.356 1.00 10.00 H new ATOM 986 N TYR A 66 8.904 -5.983 -3.996 1.00 10.00 N ATOM 987 CA TYR A 66 8.416 -5.437 -5.255 1.00 10.00 C ATOM 988 C TYR A 66 8.240 -3.945 -5.004 1.00 10.00 C ATOM 989 O TYR A 66 8.213 -3.552 -3.841 1.00 10.00 O ATOM 990 CB TYR A 66 7.115 -6.127 -5.677 1.00 10.00 C ATOM 991 CG TYR A 66 6.157 -6.484 -4.558 1.00 10.00 C ATOM 992 CD1 TYR A 66 6.390 -7.646 -3.800 1.00 10.00 C ATOM 993 CD2 TYR A 66 5.002 -5.718 -4.322 1.00 10.00 C ATOM 994 CE1 TYR A 66 5.465 -8.053 -2.830 1.00 10.00 C ATOM 995 CE2 TYR A 66 4.072 -6.131 -3.353 1.00 10.00 C ATOM 996 CZ TYR A 66 4.293 -7.312 -2.625 1.00 10.00 C ATOM 997 OH TYR A 66 3.358 -7.756 -1.741 1.00 10.00 O ATOM 0 H TYR A 66 8.465 -5.548 -3.185 1.00 10.00 H new ATOM 0 HA TYR A 66 9.106 -5.606 -6.081 1.00 10.00 H new ATOM 0 HB2 TYR A 66 6.594 -5.477 -6.380 1.00 10.00 H new ATOM 0 HB3 TYR A 66 7.370 -7.040 -6.215 1.00 10.00 H new ATOM 0 HD1 TYR A 66 7.285 -8.226 -3.967 1.00 10.00 H new ATOM 0 HD2 TYR A 66 4.830 -4.813 -4.885 1.00 10.00 H new ATOM 0 HE1 TYR A 66 5.655 -8.938 -2.240 1.00 10.00 H new ATOM 0 HE2 TYR A 66 3.187 -5.540 -3.168 1.00 10.00 H new ATOM 0 HH TYR A 66 3.797 -8.265 -1.028 1.00 10.00 H new ATOM 1007 N LYS A 67 8.182 -3.104 -6.042 1.00 10.00 N ATOM 1008 CA LYS A 67 8.258 -1.663 -5.822 1.00 10.00 C ATOM 1009 C LYS A 67 6.905 -0.988 -6.022 1.00 10.00 C ATOM 1010 O LYS A 67 6.104 -1.393 -6.866 1.00 10.00 O ATOM 1011 CB LYS A 67 9.391 -1.032 -6.636 1.00 10.00 C ATOM 1012 CG LYS A 67 9.786 0.342 -6.066 1.00 10.00 C ATOM 1013 CD LYS A 67 11.184 0.744 -6.548 1.00 10.00 C ATOM 1014 CE LYS A 67 11.640 2.021 -5.829 1.00 10.00 C ATOM 1015 NZ LYS A 67 13.051 2.334 -6.123 1.00 10.00 N ATOM 0 H LYS A 67 8.085 -3.389 -7.017 1.00 10.00 H new ATOM 0 HA LYS A 67 8.514 -1.493 -4.776 1.00 10.00 H new ATOM 0 HB2 LYS A 67 10.257 -1.693 -6.632 1.00 10.00 H new ATOM 0 HB3 LYS A 67 9.079 -0.922 -7.675 1.00 10.00 H new ATOM 0 HG2 LYS A 67 9.059 1.093 -6.375 1.00 10.00 H new ATOM 0 HG3 LYS A 67 9.766 0.309 -4.977 1.00 10.00 H new ATOM 0 HD2 LYS A 67 11.890 -0.064 -6.355 1.00 10.00 H new ATOM 0 HD3 LYS A 67 11.173 0.908 -7.626 1.00 10.00 H new ATOM 0 HE2 LYS A 67 11.010 2.856 -6.135 1.00 10.00 H new ATOM 0 HE3 LYS A 67 11.510 1.900 -4.754 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 13.326 3.203 -5.621 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 13.654 1.547 -5.809 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 13.170 2.473 -7.147 1.00 10.00 H new ATOM 1029 N LEU A 68 6.684 0.032 -5.191 1.00 10.00 N ATOM 1030 CA LEU A 68 5.495 0.834 -5.073 1.00 10.00 C ATOM 1031 C LEU A 68 5.889 2.285 -5.332 1.00 10.00 C ATOM 1032 O LEU A 68 6.979 2.699 -4.926 1.00 10.00 O ATOM 1033 CB LEU A 68 5.060 0.717 -3.615 1.00 10.00 C ATOM 1034 CG LEU A 68 3.677 1.306 -3.365 1.00 10.00 C ATOM 1035 CD1 LEU A 68 2.596 0.331 -3.827 1.00 10.00 C ATOM 1036 CD2 LEU A 68 3.522 1.668 -1.898 1.00 10.00 C ATOM 0 H LEU A 68 7.403 0.333 -4.533 1.00 10.00 H new ATOM 0 HA LEU A 68 4.711 0.523 -5.763 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.061 -0.333 -3.323 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.787 1.225 -2.981 1.00 10.00 H new ATOM 0 HG LEU A 68 3.563 2.221 -3.946 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.613 0.764 -3.643 1.00 10.00 H new ATOM 0 HD12 LEU A 68 2.713 0.137 -4.893 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.690 -0.604 -3.275 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.530 2.088 -1.730 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.646 0.774 -1.287 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.279 2.403 -1.623 1.00 10.00 H new ATOM 1048 N LYS A 69 4.985 3.073 -5.906 1.00 10.00 N ATOM 1049 CA LYS A 69 5.024 4.519 -5.876 1.00 10.00 C ATOM 1050 C LYS A 69 3.600 5.036 -5.759 1.00 10.00 C ATOM 1051 O LYS A 69 2.680 4.233 -5.806 1.00 10.00 O ATOM 1052 CB LYS A 69 5.727 5.044 -7.130 1.00 10.00 C ATOM 1053 CG LYS A 69 7.248 5.109 -6.977 1.00 10.00 C ATOM 1054 CD LYS A 69 7.608 5.879 -5.699 1.00 10.00 C ATOM 1055 CE LYS A 69 8.992 6.528 -5.823 1.00 10.00 C ATOM 1056 NZ LYS A 69 9.297 7.402 -4.671 1.00 10.00 N ATOM 0 H LYS A 69 4.184 2.705 -6.419 1.00 10.00 H new ATOM 0 HA LYS A 69 5.592 4.875 -5.017 1.00 10.00 H new ATOM 0 HB2 LYS A 69 5.479 4.402 -7.975 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.348 6.039 -7.364 1.00 10.00 H new ATOM 0 HG2 LYS A 69 7.662 4.102 -6.935 1.00 10.00 H new ATOM 0 HG3 LYS A 69 7.690 5.599 -7.845 1.00 10.00 H new ATOM 0 HD2 LYS A 69 6.858 6.646 -5.508 1.00 10.00 H new ATOM 0 HD3 LYS A 69 7.595 5.201 -4.845 1.00 10.00 H new ATOM 0 HE2 LYS A 69 9.752 5.750 -5.900 1.00 10.00 H new ATOM 0 HE3 LYS A 69 9.038 7.111 -6.743 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 10.241 7.821 -4.794 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 8.587 8.159 -4.612 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 9.278 6.841 -3.795 1.00 10.00 H new ATOM 1070 N LEU A 70 3.430 6.341 -5.511 1.00 10.00 N ATOM 1071 CA LEU A 70 2.126 6.974 -5.403 1.00 10.00 C ATOM 1072 C LEU A 70 1.729 7.533 -6.757 1.00 10.00 C ATOM 1073 O LEU A 70 2.574 7.952 -7.546 1.00 10.00 O ATOM 1074 CB LEU A 70 2.170 8.091 -4.360 1.00 10.00 C ATOM 1075 CG LEU A 70 0.911 8.371 -3.530 1.00 10.00 C ATOM 1076 CD1 LEU A 70 1.304 9.223 -2.331 1.00 10.00 C ATOM 1077 CD2 LEU A 70 -0.169 9.120 -4.301 1.00 10.00 C ATOM 0 H LEU A 70 4.208 6.987 -5.380 1.00 10.00 H new ATOM 0 HA LEU A 70 1.388 6.237 -5.087 1.00 10.00 H new ATOM 0 HB2 LEU A 70 2.980 7.865 -3.667 1.00 10.00 H new ATOM 0 HB3 LEU A 70 2.439 9.014 -4.874 1.00 10.00 H new ATOM 0 HG LEU A 70 0.499 7.404 -3.241 1.00 10.00 H new ATOM 0 HD11 LEU A 70 0.420 9.433 -1.728 1.00 10.00 H new ATOM 0 HD12 LEU A 70 2.036 8.686 -1.727 1.00 10.00 H new ATOM 0 HD13 LEU A 70 1.737 10.161 -2.678 1.00 10.00 H new ATOM 0 HD21 LEU A 70 -1.030 9.284 -3.654 1.00 10.00 H new ATOM 0 HD22 LEU A 70 0.222 10.081 -4.635 1.00 10.00 H new ATOM 0 HD23 LEU A 70 -0.473 8.531 -5.167 1.00 10.00 H new ATOM 1089 N LYS A 71 0.422 7.584 -6.961 1.00 10.00 N ATOM 1090 CA LYS A 71 -0.229 8.029 -8.167 1.00 10.00 C ATOM 1091 C LYS A 71 -1.035 9.278 -7.836 1.00 10.00 C ATOM 1092 O LYS A 71 -0.803 10.349 -8.391 1.00 10.00 O ATOM 1093 CB LYS A 71 -1.124 6.888 -8.664 1.00 10.00 C ATOM 1094 CG LYS A 71 -1.969 7.381 -9.829 1.00 10.00 C ATOM 1095 CD LYS A 71 -2.601 6.207 -10.586 1.00 10.00 C ATOM 1096 CE LYS A 71 -3.568 6.676 -11.685 1.00 10.00 C ATOM 1097 NZ LYS A 71 -2.903 7.508 -12.710 1.00 10.00 N ATOM 0 H LYS A 71 -0.244 7.298 -6.244 1.00 10.00 H new ATOM 0 HA LYS A 71 0.483 8.280 -8.953 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.513 6.041 -8.976 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -1.767 6.537 -7.857 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -2.752 8.044 -9.460 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.350 7.966 -10.509 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -1.814 5.599 -11.032 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -3.136 5.569 -9.882 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -4.017 5.806 -12.164 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -4.380 7.245 -11.231 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -3.591 7.769 -13.445 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -2.526 8.370 -12.266 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -2.124 6.971 -13.141 1.00 10.00 H new ATOM 1111 N GLY A 72 -2.014 9.111 -6.949 1.00 10.00 N ATOM 1112 CA GLY A 72 -2.878 10.181 -6.499 1.00 10.00 C ATOM 1113 C GLY A 72 -3.792 9.637 -5.413 1.00 10.00 C ATOM 1114 O GLY A 72 -3.435 9.674 -4.240 1.00 10.00 O ATOM 0 H GLY A 72 -2.226 8.210 -6.520 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -2.285 11.011 -6.115 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -3.466 10.568 -7.331 1.00 10.00 H new ATOM 1118 N GLU A 73 -4.938 9.082 -5.808 1.00 10.00 N ATOM 1119 CA GLU A 73 -6.002 8.679 -4.906 1.00 10.00 C ATOM 1120 C GLU A 73 -7.034 7.868 -5.680 1.00 10.00 C ATOM 1121 O GLU A 73 -6.931 7.759 -6.902 1.00 10.00 O ATOM 1122 CB GLU A 73 -6.647 9.903 -4.232 1.00 10.00 C ATOM 1123 CG GLU A 73 -7.248 10.902 -5.234 1.00 10.00 C ATOM 1124 CD GLU A 73 -8.245 11.826 -4.548 1.00 10.00 C ATOM 1125 OE1 GLU A 73 -9.263 11.288 -4.058 1.00 10.00 O ATOM 1126 OE2 GLU A 73 -7.974 13.046 -4.527 1.00 10.00 O ATOM 0 H GLU A 73 -5.151 8.898 -6.788 1.00 10.00 H new ATOM 0 HA GLU A 73 -5.585 8.059 -4.113 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -7.430 9.565 -3.553 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -5.898 10.413 -3.626 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -6.452 11.492 -5.687 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -7.743 10.361 -6.041 1.00 10.00 H new ATOM 1133 N GLN A 74 -8.005 7.315 -4.947 1.00 10.00 N ATOM 1134 CA GLN A 74 -9.084 6.494 -5.481 1.00 10.00 C ATOM 1135 C GLN A 74 -9.770 7.176 -6.667 1.00 10.00 C ATOM 1136 O GLN A 74 -10.429 8.203 -6.505 1.00 10.00 O ATOM 1137 CB GLN A 74 -10.062 6.093 -4.363 1.00 10.00 C ATOM 1138 CG GLN A 74 -10.830 7.257 -3.702 1.00 10.00 C ATOM 1139 CD GLN A 74 -12.260 7.404 -4.223 1.00 10.00 C ATOM 1140 OE1 GLN A 74 -13.072 6.500 -4.053 1.00 10.00 O ATOM 1141 NE2 GLN A 74 -12.585 8.538 -4.835 1.00 10.00 N ATOM 0 H GLN A 74 -8.059 7.433 -3.935 1.00 10.00 H new ATOM 0 HA GLN A 74 -8.660 5.570 -5.874 1.00 10.00 H new ATOM 0 HB2 GLN A 74 -10.786 5.389 -4.773 1.00 10.00 H new ATOM 0 HB3 GLN A 74 -9.505 5.563 -3.590 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -10.857 7.101 -2.624 1.00 10.00 H new ATOM 0 HG3 GLN A 74 -10.289 8.187 -3.876 1.00 10.00 H new ATOM 0 HE21 GLN A 74 -11.885 9.269 -4.960 1.00 10.00 H new ATOM 0 HE22 GLN A 74 -13.535 8.677 -5.180 1.00 10.00 H new ATOM 1150 N ASP A 75 -9.626 6.608 -7.864 1.00 10.00 N ATOM 1151 CA ASP A 75 -10.143 7.220 -9.079 1.00 10.00 C ATOM 1152 C ASP A 75 -11.643 6.916 -9.217 1.00 10.00 C ATOM 1153 O ASP A 75 -12.057 6.129 -10.067 1.00 10.00 O ATOM 1154 CB ASP A 75 -9.296 6.759 -10.277 1.00 10.00 C ATOM 1155 CG ASP A 75 -9.274 7.791 -11.397 1.00 10.00 C ATOM 1156 OD1 ASP A 75 -10.297 8.490 -11.558 1.00 10.00 O ATOM 1157 OD2 ASP A 75 -8.216 7.878 -12.059 1.00 10.00 O ATOM 0 H ASP A 75 -9.151 5.718 -8.014 1.00 10.00 H new ATOM 0 HA ASP A 75 -10.060 8.306 -9.039 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -8.276 6.564 -9.945 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -9.692 5.818 -10.660 1.00 10.00 H new ATOM 1162 N SER A 76 -12.465 7.482 -8.322 1.00 10.00 N ATOM 1163 CA SER A 76 -13.912 7.276 -8.315 1.00 10.00 C ATOM 1164 C SER A 76 -14.633 8.551 -7.876 1.00 10.00 C ATOM 1165 O SER A 76 -14.648 8.870 -6.688 1.00 10.00 O ATOM 1166 CB SER A 76 -14.282 6.091 -7.411 1.00 10.00 C ATOM 1167 OG SER A 76 -15.650 5.748 -7.562 1.00 10.00 O ATOM 0 H SER A 76 -12.138 8.099 -7.579 1.00 10.00 H new ATOM 0 HA SER A 76 -14.235 7.040 -9.329 1.00 10.00 H new ATOM 0 HB2 SER A 76 -13.658 5.232 -7.657 1.00 10.00 H new ATOM 0 HB3 SER A 76 -14.079 6.345 -6.371 1.00 10.00 H new ATOM 0 HG SER A 76 -15.864 4.990 -6.978 1.00 10.00 H new ATOM 1173 N ILE A 77 -15.251 9.252 -8.834 1.00 10.00 N ATOM 1174 CA ILE A 77 -16.049 10.458 -8.606 1.00 10.00 C ATOM 1175 C ILE A 77 -17.557 10.210 -8.698 1.00 10.00 C ATOM 1176 O ILE A 77 -18.349 11.002 -8.190 1.00 10.00 O ATOM 1177 CB ILE A 77 -15.600 11.584 -9.557 1.00 10.00 C ATOM 1178 CG1 ILE A 77 -15.532 11.101 -11.018 1.00 10.00 C ATOM 1179 CG2 ILE A 77 -14.246 12.138 -9.091 1.00 10.00 C ATOM 1180 CD1 ILE A 77 -15.463 12.258 -12.019 1.00 10.00 C ATOM 0 H ILE A 77 -15.207 8.986 -9.818 1.00 10.00 H new ATOM 0 HA ILE A 77 -15.866 10.772 -7.579 1.00 10.00 H new ATOM 0 HB ILE A 77 -16.341 12.382 -9.525 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -14.658 10.463 -11.145 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -16.407 10.489 -11.235 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -13.928 12.935 -9.764 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -14.343 12.534 -8.080 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -13.504 11.339 -9.098 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -15.417 11.860 -13.033 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -16.350 12.883 -11.915 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -14.573 12.856 -11.823 1.00 10.00 H new ATOM 1192 N GLU A 78 -17.955 9.117 -9.343 1.00 10.00 N ATOM 1193 CA GLU A 78 -19.352 8.721 -9.468 1.00 10.00 C ATOM 1194 C GLU A 78 -19.850 8.137 -8.141 1.00 10.00 C ATOM 1195 O GLU A 78 -19.051 7.679 -7.323 1.00 10.00 O ATOM 1196 CB GLU A 78 -19.501 7.717 -10.618 1.00 10.00 C ATOM 1197 CG GLU A 78 -19.166 8.363 -11.969 1.00 10.00 C ATOM 1198 CD GLU A 78 -19.333 7.368 -13.109 1.00 10.00 C ATOM 1199 OE1 GLU A 78 -20.485 6.922 -13.301 1.00 10.00 O ATOM 1200 OE2 GLU A 78 -18.309 7.068 -13.757 1.00 10.00 O ATOM 0 H GLU A 78 -17.307 8.474 -9.799 1.00 10.00 H new ATOM 0 HA GLU A 78 -19.964 9.593 -9.698 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -18.843 6.865 -10.447 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -20.521 7.333 -10.639 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -19.815 9.223 -12.135 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -18.141 8.735 -11.954 1.00 10.00 H new ATOM 1207 N GLY A 79 -21.170 8.145 -7.927 1.00 10.00 N ATOM 1208 CA GLY A 79 -21.766 7.624 -6.706 1.00 10.00 C ATOM 1209 C GLY A 79 -23.291 7.589 -6.795 1.00 10.00 C ATOM 1210 O GLY A 79 -23.856 6.622 -7.301 1.00 10.00 O ATOM 0 H GLY A 79 -21.847 8.512 -8.596 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -21.389 6.619 -6.516 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -21.464 8.242 -5.861 1.00 10.00 H new ATOM 1214 N ARG A 80 -23.959 8.625 -6.286 1.00 10.00 N ATOM 1215 CA ARG A 80 -25.403 8.772 -6.257 1.00 10.00 C ATOM 1216 C ARG A 80 -25.649 10.269 -6.070 1.00 10.00 C ATOM 1217 O ARG A 80 -26.797 10.704 -6.300 1.00 10.00 O ATOM 1218 CB ARG A 80 -25.989 7.981 -5.077 1.00 10.00 C ATOM 1219 CG ARG A 80 -27.487 7.702 -5.257 1.00 10.00 C ATOM 1220 CD ARG A 80 -28.131 7.377 -3.904 1.00 10.00 C ATOM 1221 NE ARG A 80 -29.399 6.647 -4.070 1.00 10.00 N ATOM 1222 CZ ARG A 80 -30.243 6.339 -3.072 1.00 10.00 C ATOM 1223 NH1 ARG A 80 -30.043 6.844 -1.850 1.00 10.00 N ATOM 1224 NH2 ARG A 80 -31.276 5.519 -3.298 1.00 10.00 N ATOM 1225 OXT ARG A 80 -24.665 10.937 -5.674 1.00 10.00 O ATOM 0 H ARG A 80 -23.478 9.419 -5.864 1.00 10.00 H new ATOM 0 HA ARG A 80 -25.874 8.393 -7.164 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -25.455 7.037 -4.973 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -25.833 8.539 -4.154 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -27.975 8.569 -5.701 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -27.629 6.869 -5.945 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -27.442 6.780 -3.306 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -28.311 8.301 -3.355 1.00 10.00 H new ATOM 0 HE ARG A 80 -29.655 6.354 -5.013 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -29.250 7.462 -1.677 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -30.683 6.611 -1.091 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -31.422 5.128 -4.229 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -31.917 5.285 -2.540 1.00 10.00 H new TER 1239 ARG A 80