USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 478 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 48 SER OG : rot 180:sc= -0.306 USER MOD Set 1.2: A 49 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 43 SER OG : rot -131:sc= 1.21 USER MOD Set 2.2: A 45 ASN : amide:sc= 1.02 K(o=2.2,f=-1.3) USER MOD Set 3.1: A 21 MET CE :methyl 171:sc= -0.0462 (180deg=-0.281) USER MOD Set 3.2: A 25 MET CE :methyl -159:sc= -3.86 (180deg=-5.55) USER MOD Single : A 16 GLN : amide:sc=-0.00185 X(o=-0.0018,f=-0.00023) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 22 GLN : amide:sc= -0.263 X(o=-0.26,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 27 SER OG : rot 79:sc= 0.328 USER MOD Single : A 33 CYS SG : rot 170:sc= -3.56! USER MOD Single : A 36 HIS : no HD1:sc= -11.6! C(o=-12!,f=-12!) USER MOD Single : A 37 ASN : amide:sc= -0.1 X(o=-0.1,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 83:sc= -6.57! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= -0.834 USER MOD Single : A 59 GLN : amide:sc= -2.96! K(o=-3!,f=-2.1) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0234 USER MOD Single : A 78 LYS NZ :NH3+ 162:sc= -0.0704 (180deg=-0.217) USER MOD Single : A 81 TYR OH : rot 95:sc= -3.46! USER MOD Single : A 83 SER OG : rot 66:sc= 1.16 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 180:sc=-0.00274 USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 16 1.645 -3.948 -5.735 1.00 0.00 N ATOM 31 CA GLN A 16 2.892 -4.658 -5.960 1.00 0.00 C ATOM 32 C GLN A 16 3.396 -4.409 -7.383 1.00 0.00 C ATOM 33 O GLN A 16 4.599 -4.289 -7.607 1.00 0.00 O ATOM 34 CB GLN A 16 2.726 -6.156 -5.691 1.00 0.00 C ATOM 35 CG GLN A 16 2.475 -6.422 -4.206 1.00 0.00 C ATOM 36 CD GLN A 16 1.692 -7.721 -4.006 1.00 0.00 C ATOM 37 OE1 GLN A 16 0.523 -7.829 -4.340 1.00 0.00 O ATOM 38 NE2 GLN A 16 2.399 -8.698 -3.445 1.00 0.00 N ATOM 0 HA GLN A 16 3.636 -4.277 -5.261 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.895 -6.545 -6.279 1.00 0.00 H new ATOM 0 HB3 GLN A 16 3.621 -6.688 -6.013 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.427 -6.482 -3.678 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.922 -5.589 -3.772 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.374 -8.540 -3.190 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.966 -9.605 -3.270 1.00 0.00 H new ATOM 47 N GLU A 17 2.449 -4.339 -8.308 1.00 0.00 N ATOM 48 CA GLU A 17 2.782 -4.106 -9.703 1.00 0.00 C ATOM 49 C GLU A 17 3.699 -2.888 -9.834 1.00 0.00 C ATOM 50 O GLU A 17 4.638 -2.896 -10.627 1.00 0.00 O ATOM 51 CB GLU A 17 1.518 -3.934 -10.547 1.00 0.00 C ATOM 52 CG GLU A 17 0.923 -5.292 -10.926 1.00 0.00 C ATOM 53 CD GLU A 17 0.867 -6.224 -9.714 1.00 0.00 C ATOM 54 OE1 GLU A 17 1.722 -7.111 -9.574 1.00 0.00 O ATOM 55 OE2 GLU A 17 -0.108 -6.001 -8.899 1.00 0.00 O ATOM 0 H GLU A 17 1.452 -4.440 -8.118 1.00 0.00 H new ATOM 0 HA GLU A 17 3.315 -4.979 -10.080 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.782 -3.353 -9.992 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.753 -3.371 -11.450 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.080 -5.154 -11.329 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.523 -5.749 -11.713 1.00 0.00 H new ATOM 63 N GLN A 18 3.393 -1.870 -9.043 1.00 0.00 N ATOM 64 CA GLN A 18 4.177 -0.647 -9.061 1.00 0.00 C ATOM 65 C GLN A 18 5.621 -0.936 -8.645 1.00 0.00 C ATOM 66 O GLN A 18 6.549 -0.275 -9.109 1.00 0.00 O ATOM 67 CB GLN A 18 3.551 0.419 -8.160 1.00 0.00 C ATOM 68 CG GLN A 18 4.610 1.402 -7.655 1.00 0.00 C ATOM 69 CD GLN A 18 3.970 2.520 -6.829 1.00 0.00 C ATOM 70 OE1 GLN A 18 2.772 2.747 -6.866 1.00 0.00 O ATOM 71 NE2 GLN A 18 4.834 3.204 -6.084 1.00 0.00 N ATOM 0 H GLN A 18 2.613 -1.867 -8.386 1.00 0.00 H new ATOM 0 HA GLN A 18 4.183 -0.258 -10.079 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.781 0.960 -8.711 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.060 -0.059 -7.312 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.344 0.872 -7.049 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.146 1.831 -8.501 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.825 2.962 -6.100 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.506 3.971 -5.497 1.00 0.00 H new ATOM 80 N TRP A 19 5.766 -1.925 -7.775 1.00 0.00 N ATOM 81 CA TRP A 19 7.081 -2.310 -7.292 1.00 0.00 C ATOM 82 C TRP A 19 7.904 -2.787 -8.490 1.00 0.00 C ATOM 83 O TRP A 19 9.108 -2.542 -8.558 1.00 0.00 O ATOM 84 CB TRP A 19 6.972 -3.361 -6.185 1.00 0.00 C ATOM 85 CG TRP A 19 8.238 -3.506 -5.338 1.00 0.00 C ATOM 86 CD1 TRP A 19 8.689 -2.682 -4.382 1.00 0.00 C ATOM 87 CD2 TRP A 19 9.203 -4.577 -5.409 1.00 0.00 C ATOM 88 NE1 TRP A 19 9.870 -3.142 -3.834 1.00 0.00 N ATOM 89 CE2 TRP A 19 10.192 -4.330 -4.478 1.00 0.00 C ATOM 90 CE3 TRP A 19 9.239 -5.716 -6.232 1.00 0.00 C ATOM 91 CZ2 TRP A 19 11.289 -5.178 -4.283 1.00 0.00 C ATOM 92 CZ3 TRP A 19 10.341 -6.553 -6.025 1.00 0.00 C ATOM 93 CH2 TRP A 19 11.345 -6.319 -5.092 1.00 0.00 C ATOM 0 H TRP A 19 4.994 -2.471 -7.392 1.00 0.00 H new ATOM 0 HA TRP A 19 7.589 -1.460 -6.837 1.00 0.00 H new ATOM 0 HB2 TRP A 19 6.138 -3.101 -5.532 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.736 -4.325 -6.635 1.00 0.00 H new ATOM 0 HD1 TRP A 19 8.191 -1.773 -4.078 1.00 0.00 H new ATOM 0 HE1 TRP A 19 10.407 -2.692 -3.093 1.00 0.00 H new ATOM 0 HE3 TRP A 19 8.476 -5.928 -6.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 12.051 -4.963 -3.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 10.417 -7.443 -6.632 1.00 0.00 H new ATOM 0 HH2 TRP A 19 12.165 -7.015 -4.992 1.00 0.00 H new ATOM 104 N ALA A 20 7.222 -3.459 -9.406 1.00 0.00 N ATOM 105 CA ALA A 20 7.875 -3.972 -10.598 1.00 0.00 C ATOM 106 C ALA A 20 8.247 -2.804 -11.514 1.00 0.00 C ATOM 107 O ALA A 20 9.368 -2.737 -12.017 1.00 0.00 O ATOM 108 CB ALA A 20 6.957 -4.983 -11.288 1.00 0.00 C ATOM 0 H ALA A 20 6.224 -3.660 -9.346 1.00 0.00 H new ATOM 0 HA ALA A 20 8.796 -4.493 -10.336 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.447 -5.368 -12.182 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.746 -5.807 -10.607 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.023 -4.495 -11.567 1.00 0.00 H new ATOM 114 N MET A 21 7.286 -1.911 -11.701 1.00 0.00 N ATOM 115 CA MET A 21 7.499 -0.749 -12.547 1.00 0.00 C ATOM 116 C MET A 21 8.784 -0.015 -12.158 1.00 0.00 C ATOM 117 O MET A 21 9.376 0.685 -12.978 1.00 0.00 O ATOM 118 CB MET A 21 6.308 0.202 -12.417 1.00 0.00 C ATOM 119 CG MET A 21 5.030 -0.442 -12.959 1.00 0.00 C ATOM 120 SD MET A 21 3.610 0.535 -12.495 1.00 0.00 S ATOM 121 CE MET A 21 3.710 1.829 -13.721 1.00 0.00 C ATOM 0 H MET A 21 6.358 -1.969 -11.281 1.00 0.00 H new ATOM 0 HA MET A 21 7.595 -1.087 -13.579 1.00 0.00 H new ATOM 0 HB2 MET A 21 6.167 0.473 -11.371 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.513 1.124 -12.961 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.086 -0.524 -14.044 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.929 -1.454 -12.568 1.00 0.00 H new ATOM 0 HE1 MET A 21 2.808 2.440 -13.679 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.581 2.453 -13.521 1.00 0.00 H new ATOM 0 HE3 MET A 21 3.802 1.385 -14.712 1.00 0.00 H new ATOM 131 N GLN A 22 9.177 -0.200 -10.906 1.00 0.00 N ATOM 132 CA GLN A 22 10.380 0.435 -10.398 1.00 0.00 C ATOM 133 C GLN A 22 11.510 0.331 -11.425 1.00 0.00 C ATOM 134 O GLN A 22 11.869 1.321 -12.060 1.00 0.00 O ATOM 135 CB GLN A 22 10.799 -0.175 -9.058 1.00 0.00 C ATOM 136 CG GLN A 22 11.694 0.787 -8.274 1.00 0.00 C ATOM 137 CD GLN A 22 11.495 0.614 -6.766 1.00 0.00 C ATOM 138 OE1 GLN A 22 11.411 1.569 -6.012 1.00 0.00 O ATOM 139 NE2 GLN A 22 11.425 -0.654 -6.372 1.00 0.00 N ATOM 0 H GLN A 22 8.683 -0.781 -10.229 1.00 0.00 H new ATOM 0 HA GLN A 22 10.166 1.490 -10.228 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.913 -0.414 -8.470 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.329 -1.112 -9.231 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.738 0.608 -8.530 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.468 1.814 -8.559 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.503 -1.406 -7.057 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.293 -0.875 -5.385 1.00 0.00 H new ATOM 148 N THR A 23 12.038 -0.877 -11.556 1.00 0.00 N ATOM 149 CA THR A 23 13.119 -1.123 -12.495 1.00 0.00 C ATOM 150 C THR A 23 12.586 -1.140 -13.929 1.00 0.00 C ATOM 151 O THR A 23 13.105 -0.439 -14.796 1.00 0.00 O ATOM 152 CB THR A 23 13.811 -2.426 -12.088 1.00 0.00 C ATOM 153 OG1 THR A 23 14.864 -2.570 -13.038 1.00 0.00 O ATOM 154 CG2 THR A 23 12.929 -3.654 -12.320 1.00 0.00 C ATOM 0 H THR A 23 11.737 -1.696 -11.028 1.00 0.00 H new ATOM 0 HA THR A 23 13.858 -0.323 -12.466 1.00 0.00 H new ATOM 0 HB THR A 23 14.092 -2.375 -11.036 1.00 0.00 H new ATOM 0 HG1 THR A 23 15.366 -3.390 -12.848 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.467 -4.551 -12.015 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.015 -3.562 -11.733 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.675 -3.725 -13.378 1.00 0.00 H new ATOM 162 N LEU A 24 11.556 -1.948 -14.134 1.00 0.00 N ATOM 163 CA LEU A 24 10.947 -2.066 -15.448 1.00 0.00 C ATOM 164 C LEU A 24 10.908 -0.688 -16.112 1.00 0.00 C ATOM 165 O LEU A 24 11.517 -0.484 -17.162 1.00 0.00 O ATOM 166 CB LEU A 24 9.577 -2.738 -15.345 1.00 0.00 C ATOM 167 CG LEU A 24 8.828 -2.941 -16.664 1.00 0.00 C ATOM 168 CD1 LEU A 24 7.938 -4.183 -16.603 1.00 0.00 C ATOM 169 CD2 LEU A 24 8.039 -1.687 -17.045 1.00 0.00 C ATOM 0 H LEU A 24 11.128 -2.527 -13.412 1.00 0.00 H new ATOM 0 HA LEU A 24 11.546 -2.713 -16.089 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.706 -3.711 -14.870 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.950 -2.141 -14.683 1.00 0.00 H new ATOM 0 HG LEU A 24 9.562 -3.110 -17.452 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.417 -4.304 -17.553 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.553 -5.062 -16.412 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.209 -4.069 -15.801 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.516 -1.858 -17.986 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.314 -1.462 -16.263 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.724 -0.847 -17.158 1.00 0.00 H new ATOM 181 N MET A 25 10.187 0.221 -15.474 1.00 0.00 N ATOM 182 CA MET A 25 10.060 1.574 -15.990 1.00 0.00 C ATOM 183 C MET A 25 11.371 2.347 -15.828 1.00 0.00 C ATOM 184 O MET A 25 11.700 3.197 -16.653 1.00 0.00 O ATOM 185 CB MET A 25 8.941 2.303 -15.244 1.00 0.00 C ATOM 186 CG MET A 25 9.513 3.350 -14.286 1.00 0.00 C ATOM 187 SD MET A 25 8.206 4.038 -13.284 1.00 0.00 S ATOM 188 CE MET A 25 6.952 4.278 -14.532 1.00 0.00 C ATOM 0 H MET A 25 9.684 0.048 -14.604 1.00 0.00 H new ATOM 0 HA MET A 25 9.822 1.517 -17.052 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.275 2.785 -15.960 1.00 0.00 H new ATOM 0 HB3 MET A 25 8.342 1.583 -14.686 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.271 2.896 -13.648 1.00 0.00 H new ATOM 0 HG3 MET A 25 10.005 4.142 -14.851 1.00 0.00 H new ATOM 0 HE1 MET A 25 6.231 5.019 -14.186 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.418 4.628 -15.453 1.00 0.00 H new ATOM 0 HE3 MET A 25 6.441 3.334 -14.720 1.00 0.00 H new ATOM 198 N GLY A 26 12.082 2.024 -14.757 1.00 0.00 N ATOM 199 CA GLY A 26 13.349 2.678 -14.476 1.00 0.00 C ATOM 200 C GLY A 26 14.372 2.389 -15.577 1.00 0.00 C ATOM 201 O GLY A 26 15.429 3.015 -15.627 1.00 0.00 O ATOM 0 H GLY A 26 11.805 1.319 -14.074 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.196 3.754 -14.390 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.735 2.334 -13.517 1.00 0.00 H new ATOM 205 N SER A 27 14.021 1.439 -16.432 1.00 0.00 N ATOM 206 CA SER A 27 14.895 1.059 -17.528 1.00 0.00 C ATOM 207 C SER A 27 15.077 2.239 -18.486 1.00 0.00 C ATOM 208 O SER A 27 15.915 2.190 -19.384 1.00 0.00 O ATOM 209 CB SER A 27 14.341 -0.153 -18.279 1.00 0.00 C ATOM 210 OG SER A 27 14.045 -1.236 -17.401 1.00 0.00 O ATOM 0 H SER A 27 13.143 0.922 -16.387 1.00 0.00 H new ATOM 0 HA SER A 27 15.864 0.784 -17.113 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.438 0.135 -18.816 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.065 -0.479 -19.025 1.00 0.00 H new ATOM 0 HG SER A 27 13.191 -1.068 -16.951 1.00 0.00 H new ATOM 216 N GLY A 28 14.278 3.271 -18.260 1.00 0.00 N ATOM 217 CA GLY A 28 14.340 4.461 -19.091 1.00 0.00 C ATOM 218 C GLY A 28 13.250 4.438 -20.165 1.00 0.00 C ATOM 219 O GLY A 28 13.199 5.319 -21.022 1.00 0.00 O ATOM 0 H GLY A 28 13.584 3.308 -17.513 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.224 5.349 -18.470 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.320 4.528 -19.564 1.00 0.00 H new ATOM 223 N VAL A 29 12.405 3.421 -20.083 1.00 0.00 N ATOM 224 CA VAL A 29 11.319 3.271 -21.036 1.00 0.00 C ATOM 225 C VAL A 29 10.237 4.312 -20.739 1.00 0.00 C ATOM 226 O VAL A 29 9.744 4.977 -21.648 1.00 0.00 O ATOM 227 CB VAL A 29 10.791 1.836 -21.007 1.00 0.00 C ATOM 228 CG1 VAL A 29 9.407 1.747 -21.653 1.00 0.00 C ATOM 229 CG2 VAL A 29 11.773 0.877 -21.683 1.00 0.00 C ATOM 0 H VAL A 29 12.451 2.692 -19.371 1.00 0.00 H new ATOM 0 HA VAL A 29 11.675 3.452 -22.050 1.00 0.00 H new ATOM 0 HB VAL A 29 10.694 1.537 -19.963 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.055 0.716 -21.619 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.710 2.386 -21.110 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.468 2.075 -22.691 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.374 -0.137 -21.649 1.00 0.00 H new ATOM 0 HG22 VAL A 29 11.917 1.176 -22.721 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.729 0.908 -21.161 1.00 0.00 H new ATOM 239 N LEU A 30 9.901 4.421 -19.462 1.00 0.00 N ATOM 240 CA LEU A 30 8.887 5.369 -19.033 1.00 0.00 C ATOM 241 C LEU A 30 9.568 6.599 -18.430 1.00 0.00 C ATOM 242 O LEU A 30 10.794 6.653 -18.339 1.00 0.00 O ATOM 243 CB LEU A 30 7.888 4.695 -18.091 1.00 0.00 C ATOM 244 CG LEU A 30 7.157 3.473 -18.651 1.00 0.00 C ATOM 245 CD1 LEU A 30 6.320 2.790 -17.567 1.00 0.00 C ATOM 246 CD2 LEU A 30 6.317 3.848 -19.873 1.00 0.00 C ATOM 0 H LEU A 30 10.313 3.868 -18.710 1.00 0.00 H new ATOM 0 HA LEU A 30 8.302 5.714 -19.886 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.417 4.394 -17.187 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.144 5.434 -17.794 1.00 0.00 H new ATOM 0 HG LEU A 30 7.903 2.752 -18.983 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.811 1.925 -17.992 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.971 2.466 -16.755 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.581 3.492 -17.181 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.808 2.961 -20.251 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.578 4.598 -19.590 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.965 4.253 -20.650 1.00 0.00 H new ATOM 258 N ALA A 31 8.743 7.557 -18.032 1.00 0.00 N ATOM 259 CA ALA A 31 9.251 8.783 -17.440 1.00 0.00 C ATOM 260 C ALA A 31 8.590 8.997 -16.077 1.00 0.00 C ATOM 261 O ALA A 31 7.393 8.760 -15.919 1.00 0.00 O ATOM 262 CB ALA A 31 9.006 9.952 -18.397 1.00 0.00 C ATOM 0 H ALA A 31 7.727 7.509 -18.108 1.00 0.00 H new ATOM 0 HA ALA A 31 10.327 8.714 -17.278 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.387 10.872 -17.953 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.520 9.764 -19.340 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.936 10.054 -18.581 1.00 0.00 H new ATOM 268 N ARG A 32 9.398 9.444 -15.127 1.00 0.00 N ATOM 269 CA ARG A 32 8.907 9.693 -13.782 1.00 0.00 C ATOM 270 C ARG A 32 9.221 11.129 -13.360 1.00 0.00 C ATOM 271 O ARG A 32 10.387 11.506 -13.247 1.00 0.00 O ATOM 272 CB ARG A 32 9.534 8.724 -12.778 1.00 0.00 C ATOM 273 CG ARG A 32 10.995 8.439 -13.132 1.00 0.00 C ATOM 274 CD ARG A 32 11.795 8.050 -11.886 1.00 0.00 C ATOM 275 NE ARG A 32 12.263 9.267 -11.186 1.00 0.00 N ATOM 276 CZ ARG A 32 13.020 9.253 -10.080 1.00 0.00 C ATOM 277 NH1 ARG A 32 13.399 8.085 -9.542 1.00 0.00 N ATOM 278 NH2 ARG A 32 13.398 10.406 -9.512 1.00 0.00 N ATOM 0 H ARG A 32 10.390 9.640 -15.262 1.00 0.00 H new ATOM 0 HA ARG A 32 7.828 9.541 -13.790 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.475 9.145 -11.774 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.970 7.791 -12.766 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.045 7.635 -13.866 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.440 9.321 -13.594 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.176 7.452 -11.218 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.647 7.432 -12.169 1.00 0.00 H new ATOM 0 HE ARG A 32 11.993 10.173 -11.569 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.111 7.207 -9.974 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.975 8.074 -8.700 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.110 11.295 -9.921 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.974 10.395 -8.670 1.00 0.00 H new ATOM 292 N CYS A 33 8.161 11.892 -13.137 1.00 0.00 N ATOM 293 CA CYS A 33 8.310 13.279 -12.729 1.00 0.00 C ATOM 294 C CYS A 33 8.936 13.305 -11.333 1.00 0.00 C ATOM 295 O CYS A 33 8.457 12.632 -10.422 1.00 0.00 O ATOM 296 CB CYS A 33 6.976 14.027 -12.770 1.00 0.00 C ATOM 297 SG CYS A 33 7.234 15.736 -13.372 1.00 0.00 S ATOM 0 H CYS A 33 7.196 11.576 -13.231 1.00 0.00 H new ATOM 0 HA CYS A 33 8.964 13.798 -13.429 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.277 13.505 -13.423 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.530 14.046 -11.776 1.00 0.00 H new ATOM 0 HG CYS A 33 6.083 16.292 -13.606 1.00 0.00 H new ATOM 302 N ARG A 34 9.997 14.089 -11.210 1.00 0.00 N ATOM 303 CA ARG A 34 10.693 14.212 -9.941 1.00 0.00 C ATOM 304 C ARG A 34 9.758 14.786 -8.875 1.00 0.00 C ATOM 305 O ARG A 34 9.978 14.593 -7.680 1.00 0.00 O ATOM 306 CB ARG A 34 11.922 15.115 -10.071 1.00 0.00 C ATOM 307 CG ARG A 34 11.519 16.532 -10.481 1.00 0.00 C ATOM 308 CD ARG A 34 12.644 17.528 -10.190 1.00 0.00 C ATOM 309 NE ARG A 34 13.740 17.354 -11.169 1.00 0.00 N ATOM 310 CZ ARG A 34 13.652 17.692 -12.462 1.00 0.00 C ATOM 311 NH1 ARG A 34 12.519 18.223 -12.941 1.00 0.00 N ATOM 312 NH2 ARG A 34 14.698 17.498 -13.278 1.00 0.00 N ATOM 0 H ARG A 34 10.391 14.645 -11.969 1.00 0.00 H new ATOM 0 HA ARG A 34 11.019 13.215 -9.645 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.458 15.145 -9.122 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.607 14.699 -10.810 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.277 16.552 -11.544 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.618 16.828 -9.943 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.260 18.547 -10.239 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.021 17.378 -9.179 1.00 0.00 H new ATOM 0 HE ARG A 34 14.617 16.952 -10.839 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.723 18.370 -12.321 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.453 18.480 -13.926 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.561 17.093 -12.914 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.631 17.755 -14.263 1.00 0.00 H new ATOM 326 N ILE A 35 8.732 15.481 -9.346 1.00 0.00 N ATOM 327 CA ILE A 35 7.762 16.085 -8.448 1.00 0.00 C ATOM 328 C ILE A 35 6.802 15.007 -7.942 1.00 0.00 C ATOM 329 O ILE A 35 6.136 15.191 -6.925 1.00 0.00 O ATOM 330 CB ILE A 35 7.062 17.262 -9.130 1.00 0.00 C ATOM 331 CG1 ILE A 35 5.914 17.791 -8.267 1.00 0.00 C ATOM 332 CG2 ILE A 35 6.594 16.881 -10.536 1.00 0.00 C ATOM 333 CD1 ILE A 35 5.115 18.861 -9.014 1.00 0.00 C ATOM 0 H ILE A 35 8.552 15.639 -10.337 1.00 0.00 H new ATOM 0 HA ILE A 35 8.260 16.504 -7.574 1.00 0.00 H new ATOM 0 HB ILE A 35 7.783 18.072 -9.239 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.255 16.969 -7.988 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.312 18.209 -7.342 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.100 17.735 -10.999 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.454 16.589 -11.139 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.895 16.047 -10.473 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.305 19.220 -8.379 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.771 19.693 -9.270 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.698 18.433 -9.926 1.00 0.00 H new ATOM 345 N HIS A 36 6.761 13.904 -8.676 1.00 0.00 N ATOM 346 CA HIS A 36 5.894 12.796 -8.314 1.00 0.00 C ATOM 347 C HIS A 36 6.421 11.505 -8.943 1.00 0.00 C ATOM 348 O HIS A 36 6.380 11.343 -10.162 1.00 0.00 O ATOM 349 CB HIS A 36 4.443 13.094 -8.698 1.00 0.00 C ATOM 350 CG HIS A 36 4.299 13.971 -9.918 1.00 0.00 C ATOM 351 ND1 HIS A 36 4.378 13.479 -11.209 1.00 0.00 N ATOM 352 CD2 HIS A 36 4.079 15.313 -10.031 1.00 0.00 C ATOM 353 CE1 HIS A 36 4.213 14.487 -12.053 1.00 0.00 C ATOM 354 NE2 HIS A 36 4.028 15.623 -11.320 1.00 0.00 N ATOM 0 H HIS A 36 7.314 13.754 -9.520 1.00 0.00 H new ATOM 0 HA HIS A 36 5.902 12.661 -7.232 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.924 12.152 -8.877 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.947 13.576 -7.856 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.966 16.006 -9.210 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.223 14.421 -13.131 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.876 16.557 -11.701 1.00 0.00 H new ATOM 362 N ASN A 37 6.903 10.619 -8.084 1.00 0.00 N ATOM 363 CA ASN A 37 7.437 9.347 -8.540 1.00 0.00 C ATOM 364 C ASN A 37 6.308 8.317 -8.600 1.00 0.00 C ATOM 365 O ASN A 37 6.497 7.212 -9.107 1.00 0.00 O ATOM 366 CB ASN A 37 8.506 8.823 -7.580 1.00 0.00 C ATOM 367 CG ASN A 37 9.663 9.815 -7.452 1.00 0.00 C ATOM 368 OD1 ASN A 37 9.953 10.337 -6.388 1.00 0.00 O ATOM 369 ND2 ASN A 37 10.306 10.046 -8.593 1.00 0.00 N ATOM 0 H ASN A 37 6.935 10.757 -7.074 1.00 0.00 H new ATOM 0 HA ASN A 37 7.880 9.500 -9.524 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.064 8.646 -6.599 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.882 7.864 -7.937 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.094 10.694 -8.612 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.011 9.575 -9.449 1.00 0.00 H new ATOM 376 N ASP A 38 5.158 8.715 -8.075 1.00 0.00 N ATOM 377 CA ASP A 38 3.999 7.839 -8.062 1.00 0.00 C ATOM 378 C ASP A 38 3.211 8.024 -9.360 1.00 0.00 C ATOM 379 O ASP A 38 2.074 7.568 -9.471 1.00 0.00 O ATOM 380 CB ASP A 38 3.069 8.173 -6.893 1.00 0.00 C ATOM 381 CG ASP A 38 1.768 7.370 -6.852 1.00 0.00 C ATOM 382 OD1 ASP A 38 0.716 7.834 -7.317 1.00 0.00 O ATOM 383 OD2 ASP A 38 1.863 6.205 -6.307 1.00 0.00 O ATOM 0 H ASP A 38 5.004 9.632 -7.656 1.00 0.00 H new ATOM 0 HA ASP A 38 4.353 6.813 -7.960 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.609 8.009 -5.960 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.822 9.234 -6.936 1.00 0.00 H new ATOM 389 N VAL A 39 3.847 8.693 -10.311 1.00 0.00 N ATOM 390 CA VAL A 39 3.220 8.944 -11.597 1.00 0.00 C ATOM 391 C VAL A 39 4.119 8.406 -12.712 1.00 0.00 C ATOM 392 O VAL A 39 5.329 8.279 -12.531 1.00 0.00 O ATOM 393 CB VAL A 39 2.910 10.435 -11.747 1.00 0.00 C ATOM 394 CG1 VAL A 39 3.371 10.957 -13.109 1.00 0.00 C ATOM 395 CG2 VAL A 39 1.420 10.709 -11.530 1.00 0.00 C ATOM 0 H VAL A 39 4.790 9.069 -10.216 1.00 0.00 H new ATOM 0 HA VAL A 39 2.267 8.419 -11.665 1.00 0.00 H new ATOM 0 HB VAL A 39 3.465 10.972 -10.978 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.139 12.019 -13.189 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.447 10.812 -13.209 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.857 10.412 -13.901 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.226 11.776 -11.642 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.837 10.155 -12.266 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.134 10.392 -10.527 1.00 0.00 H new ATOM 405 N ILE A 40 3.493 8.103 -13.840 1.00 0.00 N ATOM 406 CA ILE A 40 4.222 7.582 -14.983 1.00 0.00 C ATOM 407 C ILE A 40 3.961 8.474 -16.199 1.00 0.00 C ATOM 408 O ILE A 40 2.844 8.948 -16.396 1.00 0.00 O ATOM 409 CB ILE A 40 3.875 6.110 -15.215 1.00 0.00 C ATOM 410 CG1 ILE A 40 4.494 5.598 -16.517 1.00 0.00 C ATOM 411 CG2 ILE A 40 2.361 5.891 -15.175 1.00 0.00 C ATOM 412 CD1 ILE A 40 3.608 4.532 -17.163 1.00 0.00 C ATOM 0 H ILE A 40 2.489 8.209 -13.986 1.00 0.00 H new ATOM 0 HA ILE A 40 5.295 7.606 -14.793 1.00 0.00 H new ATOM 0 HB ILE A 40 4.307 5.526 -14.403 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.633 6.429 -17.209 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.481 5.182 -16.316 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.141 4.837 -15.343 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.976 6.192 -14.201 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.886 6.489 -15.953 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.071 4.185 -18.087 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.491 3.692 -16.478 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.630 4.958 -17.385 1.00 0.00 H new ATOM 424 N LEU A 41 5.011 8.675 -16.981 1.00 0.00 N ATOM 425 CA LEU A 41 4.910 9.501 -18.172 1.00 0.00 C ATOM 426 C LEU A 41 5.264 8.663 -19.402 1.00 0.00 C ATOM 427 O LEU A 41 6.231 7.902 -19.381 1.00 0.00 O ATOM 428 CB LEU A 41 5.761 10.764 -18.022 1.00 0.00 C ATOM 429 CG LEU A 41 5.041 11.997 -17.474 1.00 0.00 C ATOM 430 CD1 LEU A 41 4.155 11.630 -16.282 1.00 0.00 C ATOM 431 CD2 LEU A 41 6.038 13.105 -17.127 1.00 0.00 C ATOM 0 H LEU A 41 5.936 8.280 -16.813 1.00 0.00 H new ATOM 0 HA LEU A 41 3.886 9.849 -18.308 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.601 10.536 -17.365 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.178 11.015 -18.997 1.00 0.00 H new ATOM 0 HG LEU A 41 4.386 12.385 -18.254 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.655 12.525 -15.911 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.409 10.900 -16.595 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.770 11.204 -15.489 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.500 13.970 -16.740 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.736 12.743 -16.372 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.589 13.392 -18.022 1.00 0.00 H new ATOM 443 N ASP A 42 4.463 8.830 -20.444 1.00 0.00 N ATOM 444 CA ASP A 42 4.680 8.098 -21.680 1.00 0.00 C ATOM 445 C ASP A 42 5.661 8.874 -22.562 1.00 0.00 C ATOM 446 O ASP A 42 5.296 9.884 -23.161 1.00 0.00 O ATOM 447 CB ASP A 42 3.374 7.932 -22.458 1.00 0.00 C ATOM 448 CG ASP A 42 2.435 6.849 -21.923 1.00 0.00 C ATOM 449 OD1 ASP A 42 1.696 7.067 -20.951 1.00 0.00 O ATOM 450 OD2 ASP A 42 2.483 5.725 -22.554 1.00 0.00 O ATOM 0 H ASP A 42 3.662 9.462 -20.458 1.00 0.00 H new ATOM 0 HA ASP A 42 5.075 7.115 -21.425 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.844 8.884 -22.456 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.614 7.703 -23.496 1.00 0.00 H new ATOM 456 N SER A 43 6.886 8.372 -22.612 1.00 0.00 N ATOM 457 CA SER A 43 7.921 9.006 -23.411 1.00 0.00 C ATOM 458 C SER A 43 7.893 8.454 -24.838 1.00 0.00 C ATOM 459 O SER A 43 8.089 9.197 -25.798 1.00 0.00 O ATOM 460 CB SER A 43 9.303 8.796 -22.788 1.00 0.00 C ATOM 461 OG SER A 43 10.330 9.440 -23.537 1.00 0.00 O ATOM 0 H SER A 43 7.185 7.534 -22.113 1.00 0.00 H new ATOM 0 HA SER A 43 7.723 10.078 -23.439 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.303 9.180 -21.768 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.514 7.728 -22.726 1.00 0.00 H new ATOM 0 HG SER A 43 11.067 8.812 -23.688 1.00 0.00 H new ATOM 467 N GLY A 44 7.649 7.155 -24.931 1.00 0.00 N ATOM 468 CA GLY A 44 7.593 6.495 -26.224 1.00 0.00 C ATOM 469 C GLY A 44 8.883 5.721 -26.501 1.00 0.00 C ATOM 470 O GLY A 44 9.046 5.144 -27.575 1.00 0.00 O ATOM 0 H GLY A 44 7.488 6.542 -24.132 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.743 5.814 -26.252 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.434 7.236 -27.008 1.00 0.00 H new ATOM 474 N ASN A 45 9.767 5.734 -25.514 1.00 0.00 N ATOM 475 CA ASN A 45 11.038 5.041 -25.638 1.00 0.00 C ATOM 476 C ASN A 45 10.780 3.556 -25.904 1.00 0.00 C ATOM 477 O ASN A 45 9.677 3.063 -25.672 1.00 0.00 O ATOM 478 CB ASN A 45 11.856 5.156 -24.351 1.00 0.00 C ATOM 479 CG ASN A 45 12.651 6.462 -24.321 1.00 0.00 C ATOM 480 OD1 ASN A 45 12.238 7.458 -23.751 1.00 0.00 O ATOM 481 ND2 ASN A 45 13.813 6.402 -24.965 1.00 0.00 N ATOM 0 H ASN A 45 9.628 6.214 -24.625 1.00 0.00 H new ATOM 0 HA ASN A 45 11.592 5.497 -26.459 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.191 5.111 -23.488 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.538 4.309 -24.273 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.418 7.222 -25.002 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.099 5.536 -25.421 1.00 0.00 H new ATOM 488 N ASP A 46 11.816 2.885 -26.386 1.00 0.00 N ATOM 489 CA ASP A 46 11.715 1.467 -26.685 1.00 0.00 C ATOM 490 C ASP A 46 11.213 0.723 -25.446 1.00 0.00 C ATOM 491 O ASP A 46 11.949 0.561 -24.474 1.00 0.00 O ATOM 492 CB ASP A 46 13.079 0.886 -27.065 1.00 0.00 C ATOM 493 CG ASP A 46 13.617 1.335 -28.425 1.00 0.00 C ATOM 494 OD1 ASP A 46 14.827 1.270 -28.686 1.00 0.00 O ATOM 495 OD2 ASP A 46 12.724 1.772 -29.247 1.00 0.00 O ATOM 0 H ASP A 46 12.729 3.297 -26.577 1.00 0.00 H new ATOM 0 HA ASP A 46 11.026 1.347 -27.521 1.00 0.00 H new ATOM 0 HB2 ASP A 46 13.801 1.161 -26.297 1.00 0.00 H new ATOM 0 HB3 ASP A 46 13.008 -0.202 -27.060 1.00 0.00 H new ATOM 501 N ALA A 47 9.963 0.291 -25.521 1.00 0.00 N ATOM 502 CA ALA A 47 9.353 -0.432 -24.418 1.00 0.00 C ATOM 503 C ALA A 47 9.883 -1.867 -24.399 1.00 0.00 C ATOM 504 O ALA A 47 9.703 -2.586 -23.418 1.00 0.00 O ATOM 505 CB ALA A 47 7.830 -0.375 -24.549 1.00 0.00 C ATOM 0 H ALA A 47 9.356 0.428 -26.329 1.00 0.00 H new ATOM 0 HA ALA A 47 9.615 0.029 -23.466 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.373 -0.918 -23.721 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.502 0.664 -24.527 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.529 -0.831 -25.492 1.00 0.00 H new ATOM 511 N SER A 48 10.527 -2.240 -25.495 1.00 0.00 N ATOM 512 CA SER A 48 11.084 -3.577 -25.617 1.00 0.00 C ATOM 513 C SER A 48 11.979 -3.882 -24.414 1.00 0.00 C ATOM 514 O SER A 48 11.835 -4.926 -23.778 1.00 0.00 O ATOM 515 CB SER A 48 11.876 -3.727 -26.918 1.00 0.00 C ATOM 516 OG SER A 48 13.253 -3.406 -26.745 1.00 0.00 O ATOM 0 H SER A 48 10.676 -1.640 -26.306 1.00 0.00 H new ATOM 0 HA SER A 48 10.260 -4.290 -25.640 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.785 -4.751 -27.282 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.446 -3.078 -27.681 1.00 0.00 H new ATOM 0 HG SER A 48 13.724 -3.516 -27.597 1.00 0.00 H new ATOM 522 N SER A 49 12.882 -2.953 -24.137 1.00 0.00 N ATOM 523 CA SER A 49 13.799 -3.110 -23.021 1.00 0.00 C ATOM 524 C SER A 49 13.019 -3.162 -21.706 1.00 0.00 C ATOM 525 O SER A 49 13.458 -3.791 -20.744 1.00 0.00 O ATOM 526 CB SER A 49 14.823 -1.974 -22.986 1.00 0.00 C ATOM 527 OG SER A 49 15.513 -1.838 -24.225 1.00 0.00 O ATOM 0 H SER A 49 12.998 -2.089 -24.666 1.00 0.00 H new ATOM 0 HA SER A 49 14.340 -4.047 -23.152 1.00 0.00 H new ATOM 0 HB2 SER A 49 14.318 -1.038 -22.748 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.543 -2.159 -22.189 1.00 0.00 H new ATOM 0 HG SER A 49 16.156 -1.101 -24.162 1.00 0.00 H new ATOM 533 N ALA A 50 11.875 -2.493 -21.706 1.00 0.00 N ATOM 534 CA ALA A 50 11.030 -2.455 -20.525 1.00 0.00 C ATOM 535 C ALA A 50 10.370 -3.822 -20.331 1.00 0.00 C ATOM 536 O ALA A 50 10.243 -4.300 -19.205 1.00 0.00 O ATOM 537 CB ALA A 50 10.005 -1.328 -20.666 1.00 0.00 C ATOM 0 H ALA A 50 11.514 -1.973 -22.506 1.00 0.00 H new ATOM 0 HA ALA A 50 11.624 -2.246 -19.635 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.371 -1.300 -19.780 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.524 -0.375 -20.771 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.389 -1.505 -21.547 1.00 0.00 H new ATOM 543 N TYR A 51 9.968 -4.413 -21.447 1.00 0.00 N ATOM 544 CA TYR A 51 9.325 -5.715 -21.414 1.00 0.00 C ATOM 545 C TYR A 51 10.327 -6.813 -21.049 1.00 0.00 C ATOM 546 O TYR A 51 10.049 -7.654 -20.196 1.00 0.00 O ATOM 547 CB TYR A 51 8.807 -5.965 -22.832 1.00 0.00 C ATOM 548 CG TYR A 51 7.495 -5.246 -23.150 1.00 0.00 C ATOM 549 CD1 TYR A 51 6.329 -5.623 -22.515 1.00 0.00 C ATOM 550 CD2 TYR A 51 7.477 -4.219 -24.073 1.00 0.00 C ATOM 551 CE1 TYR A 51 5.094 -4.945 -22.815 1.00 0.00 C ATOM 552 CE2 TYR A 51 6.242 -3.542 -24.373 1.00 0.00 C ATOM 553 CZ TYR A 51 5.112 -3.938 -23.729 1.00 0.00 C ATOM 554 OH TYR A 51 3.945 -3.298 -24.012 1.00 0.00 O ATOM 0 H TYR A 51 10.075 -4.014 -22.379 1.00 0.00 H new ATOM 0 HA TYR A 51 8.530 -5.731 -20.669 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.566 -5.647 -23.547 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.666 -7.037 -22.973 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.343 -6.426 -21.793 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.389 -3.924 -24.570 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.175 -5.230 -22.325 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.214 -2.738 -25.093 1.00 0.00 H new ATOM 0 HH TYR A 51 4.108 -2.601 -24.681 1.00 0.00 H new ATOM 564 N LYS A 52 11.472 -6.769 -21.714 1.00 0.00 N ATOM 565 CA LYS A 52 12.517 -7.749 -21.471 1.00 0.00 C ATOM 566 C LYS A 52 12.983 -7.641 -20.017 1.00 0.00 C ATOM 567 O LYS A 52 13.059 -8.645 -19.310 1.00 0.00 O ATOM 568 CB LYS A 52 13.646 -7.593 -22.491 1.00 0.00 C ATOM 569 CG LYS A 52 13.413 -8.490 -23.708 1.00 0.00 C ATOM 570 CD LYS A 52 12.467 -7.823 -24.709 1.00 0.00 C ATOM 571 CE LYS A 52 13.213 -6.802 -25.571 1.00 0.00 C ATOM 572 NZ LYS A 52 13.862 -7.470 -26.721 1.00 0.00 N ATOM 0 H LYS A 52 11.699 -6.070 -22.421 1.00 0.00 H new ATOM 0 HA LYS A 52 12.131 -8.759 -21.609 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.712 -6.553 -22.809 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.599 -7.846 -22.026 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.365 -8.707 -24.192 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.994 -9.444 -23.386 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.014 -8.581 -25.347 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.655 -7.329 -24.175 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.518 -6.043 -25.929 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.964 -6.289 -24.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.364 -6.763 -27.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.540 -8.178 -26.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.139 -7.939 -27.303 1.00 0.00 H new ATOM 586 N LEU A 53 13.282 -6.415 -19.614 1.00 0.00 N ATOM 587 CA LEU A 53 13.738 -6.164 -18.258 1.00 0.00 C ATOM 588 C LEU A 53 12.582 -6.400 -17.284 1.00 0.00 C ATOM 589 O LEU A 53 12.794 -6.858 -16.162 1.00 0.00 O ATOM 590 CB LEU A 53 14.356 -4.768 -18.151 1.00 0.00 C ATOM 591 CG LEU A 53 14.916 -4.386 -16.779 1.00 0.00 C ATOM 592 CD1 LEU A 53 13.801 -3.911 -15.845 1.00 0.00 C ATOM 593 CD2 LEU A 53 15.717 -5.540 -16.173 1.00 0.00 C ATOM 0 H LEU A 53 13.217 -5.585 -20.203 1.00 0.00 H new ATOM 0 HA LEU A 53 14.531 -6.861 -17.988 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.159 -4.691 -18.884 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.599 -4.035 -18.429 1.00 0.00 H new ATOM 0 HG LEU A 53 15.604 -3.551 -16.911 1.00 0.00 H new ATOM 0 HD11 LEU A 53 14.226 -3.646 -14.877 1.00 0.00 H new ATOM 0 HD12 LEU A 53 13.311 -3.039 -16.278 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.071 -4.710 -15.714 1.00 0.00 H new ATOM 0 HD21 LEU A 53 16.104 -5.242 -15.198 1.00 0.00 H new ATOM 0 HD22 LEU A 53 15.071 -6.410 -16.056 1.00 0.00 H new ATOM 0 HD23 LEU A 53 16.548 -5.791 -16.832 1.00 0.00 H new ATOM 605 N GLY A 54 11.383 -6.078 -17.748 1.00 0.00 N ATOM 606 CA GLY A 54 10.194 -6.250 -16.932 1.00 0.00 C ATOM 607 C GLY A 54 9.999 -7.718 -16.548 1.00 0.00 C ATOM 608 O GLY A 54 9.867 -8.043 -15.369 1.00 0.00 O ATOM 0 H GLY A 54 11.210 -5.699 -18.679 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.276 -5.643 -16.031 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.320 -5.894 -17.477 1.00 0.00 H new ATOM 612 N THR A 55 9.987 -8.566 -17.567 1.00 0.00 N ATOM 613 CA THR A 55 9.810 -9.992 -17.351 1.00 0.00 C ATOM 614 C THR A 55 10.994 -10.563 -16.567 1.00 0.00 C ATOM 615 O THR A 55 10.822 -11.460 -15.744 1.00 0.00 O ATOM 616 CB THR A 55 9.608 -10.655 -18.715 1.00 0.00 C ATOM 617 OG1 THR A 55 8.285 -10.281 -19.090 1.00 0.00 O ATOM 618 CG2 THR A 55 9.552 -12.181 -18.622 1.00 0.00 C ATOM 0 H THR A 55 10.097 -8.293 -18.544 1.00 0.00 H new ATOM 0 HA THR A 55 8.929 -10.194 -16.742 1.00 0.00 H new ATOM 0 HB THR A 55 10.417 -10.362 -19.384 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.299 -9.387 -19.491 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.407 -12.601 -19.617 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.486 -12.554 -18.203 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.722 -12.476 -17.980 1.00 0.00 H new ATOM 626 N TYR A 56 12.168 -10.019 -16.852 1.00 0.00 N ATOM 627 CA TYR A 56 13.380 -10.464 -16.184 1.00 0.00 C ATOM 628 C TYR A 56 13.246 -10.338 -14.665 1.00 0.00 C ATOM 629 O TYR A 56 13.536 -11.283 -13.932 1.00 0.00 O ATOM 630 CB TYR A 56 14.493 -9.531 -16.664 1.00 0.00 C ATOM 631 CG TYR A 56 15.885 -9.907 -16.153 1.00 0.00 C ATOM 632 CD1 TYR A 56 16.076 -11.103 -15.490 1.00 0.00 C ATOM 633 CD2 TYR A 56 16.949 -9.052 -16.356 1.00 0.00 C ATOM 634 CE1 TYR A 56 17.386 -11.457 -15.009 1.00 0.00 C ATOM 635 CE2 TYR A 56 18.259 -9.407 -15.875 1.00 0.00 C ATOM 636 CZ TYR A 56 18.413 -10.592 -15.225 1.00 0.00 C ATOM 637 OH TYR A 56 19.650 -10.927 -14.771 1.00 0.00 O ATOM 0 H TYR A 56 12.306 -9.275 -17.536 1.00 0.00 H new ATOM 0 HA TYR A 56 13.583 -11.510 -16.414 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.506 -9.529 -17.754 1.00 0.00 H new ATOM 0 HB3 TYR A 56 14.263 -8.514 -16.346 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.243 -11.772 -15.332 1.00 0.00 H new ATOM 0 HD2 TYR A 56 16.799 -8.117 -16.875 1.00 0.00 H new ATOM 0 HE1 TYR A 56 17.550 -12.389 -14.488 1.00 0.00 H new ATOM 0 HE2 TYR A 56 19.100 -8.747 -16.027 1.00 0.00 H new ATOM 0 HH TYR A 56 20.285 -10.216 -14.997 1.00 0.00 H new ATOM 647 N LEU A 57 12.806 -9.164 -14.236 1.00 0.00 N ATOM 648 CA LEU A 57 12.631 -8.903 -12.818 1.00 0.00 C ATOM 649 C LEU A 57 11.384 -9.637 -12.319 1.00 0.00 C ATOM 650 O LEU A 57 11.434 -10.334 -11.306 1.00 0.00 O ATOM 651 CB LEU A 57 12.606 -7.397 -12.550 1.00 0.00 C ATOM 652 CG LEU A 57 12.903 -6.967 -11.112 1.00 0.00 C ATOM 653 CD1 LEU A 57 14.364 -6.538 -10.959 1.00 0.00 C ATOM 654 CD2 LEU A 57 11.935 -5.874 -10.654 1.00 0.00 C ATOM 0 H LEU A 57 12.565 -8.383 -14.846 1.00 0.00 H new ATOM 0 HA LEU A 57 13.478 -9.291 -12.252 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.331 -6.919 -13.208 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.623 -7.015 -12.827 1.00 0.00 H new ATOM 0 HG LEU A 57 12.749 -7.827 -10.460 1.00 0.00 H new ATOM 0 HD11 LEU A 57 14.549 -6.237 -9.928 1.00 0.00 H new ATOM 0 HD12 LEU A 57 15.017 -7.372 -11.216 1.00 0.00 H new ATOM 0 HD13 LEU A 57 14.568 -5.699 -11.624 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.169 -5.587 -9.629 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.033 -5.005 -11.305 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.913 -6.250 -10.702 1.00 0.00 H new ATOM 666 N TYR A 58 10.296 -9.456 -13.053 1.00 0.00 N ATOM 667 CA TYR A 58 9.040 -10.093 -12.698 1.00 0.00 C ATOM 668 C TYR A 58 9.224 -11.599 -12.501 1.00 0.00 C ATOM 669 O TYR A 58 8.554 -12.206 -11.667 1.00 0.00 O ATOM 670 CB TYR A 58 8.098 -9.857 -13.881 1.00 0.00 C ATOM 671 CG TYR A 58 7.248 -8.591 -13.756 1.00 0.00 C ATOM 672 CD1 TYR A 58 6.560 -8.334 -12.588 1.00 0.00 C ATOM 673 CD2 TYR A 58 7.170 -7.706 -14.812 1.00 0.00 C ATOM 674 CE1 TYR A 58 5.760 -7.142 -12.471 1.00 0.00 C ATOM 675 CE2 TYR A 58 6.370 -6.514 -14.695 1.00 0.00 C ATOM 676 CZ TYR A 58 5.704 -6.291 -13.531 1.00 0.00 C ATOM 677 OH TYR A 58 4.949 -5.166 -13.420 1.00 0.00 O ATOM 0 H TYR A 58 10.259 -8.877 -13.892 1.00 0.00 H new ATOM 0 HA TYR A 58 8.652 -9.682 -11.766 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.688 -9.798 -14.796 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.437 -10.718 -13.983 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.621 -9.027 -11.762 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.709 -7.907 -15.726 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.217 -6.929 -11.562 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.301 -5.813 -15.514 1.00 0.00 H new ATOM 0 HH TYR A 58 5.003 -4.652 -14.253 1.00 0.00 H new ATOM 687 N GLN A 59 10.136 -12.158 -13.283 1.00 0.00 N ATOM 688 CA GLN A 59 10.417 -13.582 -13.205 1.00 0.00 C ATOM 689 C GLN A 59 11.853 -13.814 -12.730 1.00 0.00 C ATOM 690 O GLN A 59 12.805 -13.515 -13.449 1.00 0.00 O ATOM 691 CB GLN A 59 10.169 -14.264 -14.552 1.00 0.00 C ATOM 692 CG GLN A 59 9.711 -15.711 -14.358 1.00 0.00 C ATOM 693 CD GLN A 59 10.519 -16.398 -13.254 1.00 0.00 C ATOM 694 OE1 GLN A 59 9.989 -16.863 -12.259 1.00 0.00 O ATOM 695 NE2 GLN A 59 11.829 -16.435 -13.486 1.00 0.00 N ATOM 0 H GLN A 59 10.690 -11.651 -13.973 1.00 0.00 H new ATOM 0 HA GLN A 59 9.738 -14.028 -12.478 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.413 -13.711 -15.110 1.00 0.00 H new ATOM 0 HB3 GLN A 59 11.082 -14.244 -15.147 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.651 -15.730 -14.104 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.824 -16.261 -15.292 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.207 -16.026 -14.341 1.00 0.00 H new ATOM 0 HE22 GLN A 59 12.455 -16.872 -12.809 1.00 0.00 H new ATOM 856 N LEU A 70 4.220 -14.048 -18.653 1.00 0.00 N ATOM 857 CA LEU A 70 4.706 -12.733 -19.034 1.00 0.00 C ATOM 858 C LEU A 70 3.517 -11.840 -19.395 1.00 0.00 C ATOM 859 O LEU A 70 3.630 -10.615 -19.384 1.00 0.00 O ATOM 860 CB LEU A 70 5.748 -12.849 -20.148 1.00 0.00 C ATOM 861 CG LEU A 70 5.789 -11.694 -21.151 1.00 0.00 C ATOM 862 CD1 LEU A 70 5.991 -10.355 -20.438 1.00 0.00 C ATOM 863 CD2 LEU A 70 6.852 -11.937 -22.225 1.00 0.00 C ATOM 0 HA LEU A 70 5.219 -12.259 -18.197 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.733 -12.941 -19.689 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.564 -13.773 -20.696 1.00 0.00 H new ATOM 0 HG LEU A 70 4.825 -11.647 -21.657 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.016 -9.551 -21.174 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.169 -10.185 -19.743 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.932 -10.374 -19.888 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.860 -11.101 -22.925 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.831 -12.026 -21.754 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.623 -12.858 -22.762 1.00 0.00 H new ATOM 875 N THR A 71 2.404 -12.488 -19.706 1.00 0.00 N ATOM 876 CA THR A 71 1.195 -11.768 -20.069 1.00 0.00 C ATOM 877 C THR A 71 0.762 -10.844 -18.929 1.00 0.00 C ATOM 878 O THR A 71 0.201 -9.776 -19.170 1.00 0.00 O ATOM 879 CB THR A 71 0.130 -12.796 -20.455 1.00 0.00 C ATOM 880 OG1 THR A 71 0.827 -13.722 -21.285 1.00 0.00 O ATOM 881 CG2 THR A 71 -0.945 -12.209 -21.373 1.00 0.00 C ATOM 0 H THR A 71 2.314 -13.504 -19.714 1.00 0.00 H new ATOM 0 HA THR A 71 1.365 -11.117 -20.927 1.00 0.00 H new ATOM 0 HB THR A 71 -0.338 -13.190 -19.553 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.211 -14.425 -21.580 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.676 -12.980 -21.617 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.444 -11.383 -20.867 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.481 -11.846 -22.290 1.00 0.00 H new ATOM 889 N GLU A 72 1.040 -11.288 -17.712 1.00 0.00 N ATOM 890 CA GLU A 72 0.686 -10.514 -16.534 1.00 0.00 C ATOM 891 C GLU A 72 1.540 -9.246 -16.456 1.00 0.00 C ATOM 892 O GLU A 72 1.012 -8.148 -16.291 1.00 0.00 O ATOM 893 CB GLU A 72 0.832 -11.353 -15.263 1.00 0.00 C ATOM 894 CG GLU A 72 -0.447 -12.142 -14.977 1.00 0.00 C ATOM 895 CD GLU A 72 -1.583 -11.209 -14.552 1.00 0.00 C ATOM 896 OE1 GLU A 72 -2.709 -11.332 -15.059 1.00 0.00 O ATOM 897 OE2 GLU A 72 -1.265 -10.332 -13.662 1.00 0.00 O ATOM 0 H GLU A 72 1.506 -12.174 -17.516 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.360 -10.219 -16.617 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.671 -12.040 -15.371 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.059 -10.703 -14.418 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.742 -12.698 -15.867 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.259 -12.874 -14.191 1.00 0.00 H new ATOM 905 N ALA A 73 2.845 -9.442 -16.577 1.00 0.00 N ATOM 906 CA ALA A 73 3.776 -8.328 -16.522 1.00 0.00 C ATOM 907 C ALA A 73 3.457 -7.345 -17.650 1.00 0.00 C ATOM 908 O ALA A 73 3.370 -6.139 -17.422 1.00 0.00 O ATOM 909 CB ALA A 73 5.210 -8.857 -16.598 1.00 0.00 C ATOM 0 H ALA A 73 3.279 -10.355 -16.713 1.00 0.00 H new ATOM 0 HA ALA A 73 3.676 -7.791 -15.579 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.909 -8.021 -16.557 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.396 -9.527 -15.759 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.348 -9.400 -17.533 1.00 0.00 H new ATOM 915 N ARG A 74 3.290 -7.897 -18.843 1.00 0.00 N ATOM 916 CA ARG A 74 2.982 -7.084 -20.007 1.00 0.00 C ATOM 917 C ARG A 74 1.641 -6.371 -19.818 1.00 0.00 C ATOM 918 O ARG A 74 1.456 -5.252 -20.293 1.00 0.00 O ATOM 919 CB ARG A 74 2.923 -7.937 -21.276 1.00 0.00 C ATOM 920 CG ARG A 74 1.996 -7.309 -22.317 1.00 0.00 C ATOM 921 CD ARG A 74 0.569 -7.844 -22.176 1.00 0.00 C ATOM 922 NE ARG A 74 -0.099 -7.858 -23.496 1.00 0.00 N ATOM 923 CZ ARG A 74 0.262 -8.653 -24.512 1.00 0.00 C ATOM 924 NH1 ARG A 74 1.287 -9.504 -24.366 1.00 0.00 N ATOM 925 NH2 ARG A 74 -0.403 -8.598 -25.675 1.00 0.00 N ATOM 0 H ARG A 74 3.362 -8.897 -19.028 1.00 0.00 H new ATOM 0 HA ARG A 74 3.778 -6.347 -20.115 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.924 -8.044 -21.693 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.572 -8.939 -21.029 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.995 -6.225 -22.201 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.371 -7.522 -23.318 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.589 -8.851 -21.759 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.006 -7.222 -21.481 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.884 -7.223 -23.642 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.792 -9.547 -23.481 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.562 -10.109 -25.140 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.184 -7.951 -25.786 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.128 -9.203 -26.449 1.00 0.00 H new ATOM 939 N ASP A 75 0.740 -7.050 -19.122 1.00 0.00 N ATOM 940 CA ASP A 75 -0.578 -6.496 -18.864 1.00 0.00 C ATOM 941 C ASP A 75 -0.458 -5.356 -17.850 1.00 0.00 C ATOM 942 O ASP A 75 -1.240 -4.407 -17.883 1.00 0.00 O ATOM 943 CB ASP A 75 -1.514 -7.554 -18.276 1.00 0.00 C ATOM 944 CG ASP A 75 -2.826 -7.011 -17.706 1.00 0.00 C ATOM 945 OD1 ASP A 75 -2.832 -6.059 -16.911 1.00 0.00 O ATOM 946 OD2 ASP A 75 -3.890 -7.616 -18.114 1.00 0.00 O ATOM 0 H ASP A 75 0.897 -7.978 -18.729 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.985 -6.139 -19.810 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.747 -8.283 -19.052 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.985 -8.087 -17.486 1.00 0.00 H new ATOM 952 N ALA A 76 0.528 -5.486 -16.975 1.00 0.00 N ATOM 953 CA ALA A 76 0.760 -4.479 -15.954 1.00 0.00 C ATOM 954 C ALA A 76 1.273 -3.198 -16.616 1.00 0.00 C ATOM 955 O ALA A 76 0.740 -2.115 -16.376 1.00 0.00 O ATOM 956 CB ALA A 76 1.735 -5.026 -14.909 1.00 0.00 C ATOM 0 H ALA A 76 1.176 -6.274 -16.952 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.168 -4.235 -15.437 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.909 -4.270 -14.143 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.312 -5.919 -14.449 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.680 -5.279 -15.390 1.00 0.00 H new ATOM 962 N ILE A 77 2.301 -3.363 -17.435 1.00 0.00 N ATOM 963 CA ILE A 77 2.891 -2.234 -18.133 1.00 0.00 C ATOM 964 C ILE A 77 1.940 -1.768 -19.237 1.00 0.00 C ATOM 965 O ILE A 77 1.916 -0.588 -19.584 1.00 0.00 O ATOM 966 CB ILE A 77 4.292 -2.587 -18.636 1.00 0.00 C ATOM 967 CG1 ILE A 77 4.239 -3.747 -19.633 1.00 0.00 C ATOM 968 CG2 ILE A 77 5.237 -2.877 -17.469 1.00 0.00 C ATOM 969 CD1 ILE A 77 5.495 -4.615 -19.531 1.00 0.00 C ATOM 0 H ILE A 77 2.741 -4.262 -17.631 1.00 0.00 H new ATOM 0 HA ILE A 77 3.025 -1.394 -17.452 1.00 0.00 H new ATOM 0 HB ILE A 77 4.693 -1.723 -19.167 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.355 -4.356 -19.442 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.144 -3.356 -20.646 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.226 -3.125 -17.855 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.307 -1.997 -16.830 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.853 -3.716 -16.889 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.432 -5.432 -20.250 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.375 -4.009 -19.747 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.574 -5.024 -18.524 1.00 0.00 H new ATOM 981 N LYS A 78 1.178 -2.719 -19.758 1.00 0.00 N ATOM 982 CA LYS A 78 0.228 -2.421 -20.815 1.00 0.00 C ATOM 983 C LYS A 78 -0.912 -1.574 -20.247 1.00 0.00 C ATOM 984 O LYS A 78 -1.403 -0.662 -20.911 1.00 0.00 O ATOM 985 CB LYS A 78 -0.243 -3.711 -21.491 1.00 0.00 C ATOM 986 CG LYS A 78 -1.378 -3.430 -22.478 1.00 0.00 C ATOM 987 CD LYS A 78 -1.582 -4.610 -23.430 1.00 0.00 C ATOM 988 CE LYS A 78 -2.463 -5.684 -22.791 1.00 0.00 C ATOM 989 NZ LYS A 78 -3.182 -6.452 -23.833 1.00 0.00 N ATOM 0 H LYS A 78 1.200 -3.696 -19.467 1.00 0.00 H new ATOM 0 HA LYS A 78 0.703 -1.832 -21.599 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.592 -4.177 -22.014 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.581 -4.420 -20.735 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.301 -3.236 -21.931 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.152 -2.531 -23.051 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.041 -4.261 -24.355 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.616 -5.038 -23.696 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.849 -6.358 -22.193 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.180 -5.219 -22.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.525 -7.347 -23.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.990 -5.896 -24.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.537 -6.653 -24.623 1.00 0.00 H new ATOM 1003 N ASP A 79 -1.300 -1.905 -19.024 1.00 0.00 N ATOM 1004 CA ASP A 79 -2.373 -1.185 -18.359 1.00 0.00 C ATOM 1005 C ASP A 79 -1.849 0.168 -17.873 1.00 0.00 C ATOM 1006 O ASP A 79 -2.527 1.185 -18.010 1.00 0.00 O ATOM 1007 CB ASP A 79 -2.884 -1.959 -17.142 1.00 0.00 C ATOM 1008 CG ASP A 79 -3.860 -1.190 -16.250 1.00 0.00 C ATOM 1009 OD1 ASP A 79 -3.756 -1.219 -15.015 1.00 0.00 O ATOM 1010 OD2 ASP A 79 -4.772 -0.531 -16.881 1.00 0.00 O ATOM 0 H ASP A 79 -0.891 -2.662 -18.476 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.187 -1.057 -19.073 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.372 -2.870 -17.488 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.029 -2.265 -16.540 1.00 0.00 H new ATOM 1016 N ALA A 80 -0.648 0.136 -17.316 1.00 0.00 N ATOM 1017 CA ALA A 80 -0.025 1.347 -16.809 1.00 0.00 C ATOM 1018 C ALA A 80 0.193 2.325 -17.965 1.00 0.00 C ATOM 1019 O ALA A 80 -0.195 3.490 -17.880 1.00 0.00 O ATOM 1020 CB ALA A 80 1.279 0.990 -16.094 1.00 0.00 C ATOM 0 H ALA A 80 -0.089 -0.710 -17.204 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.672 1.836 -16.081 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.746 1.899 -15.714 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.066 0.317 -15.264 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.956 0.500 -16.794 1.00 0.00 H new ATOM 1026 N TYR A 81 0.813 1.817 -19.020 1.00 0.00 N ATOM 1027 CA TYR A 81 1.087 2.631 -20.192 1.00 0.00 C ATOM 1028 C TYR A 81 -0.205 3.207 -20.774 1.00 0.00 C ATOM 1029 O TYR A 81 -0.294 4.406 -21.033 1.00 0.00 O ATOM 1030 CB TYR A 81 1.722 1.692 -21.219 1.00 0.00 C ATOM 1031 CG TYR A 81 3.218 1.455 -21.005 1.00 0.00 C ATOM 1032 CD1 TYR A 81 3.702 1.202 -19.738 1.00 0.00 C ATOM 1033 CD2 TYR A 81 4.084 1.495 -22.079 1.00 0.00 C ATOM 1034 CE1 TYR A 81 5.111 0.979 -19.537 1.00 0.00 C ATOM 1035 CE2 TYR A 81 5.492 1.272 -21.878 1.00 0.00 C ATOM 1036 CZ TYR A 81 5.936 1.026 -20.617 1.00 0.00 C ATOM 1037 OH TYR A 81 7.266 0.815 -20.426 1.00 0.00 O ATOM 0 H TYR A 81 1.134 0.851 -19.088 1.00 0.00 H new ATOM 0 HA TYR A 81 1.736 3.468 -19.935 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.205 0.733 -21.188 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.569 2.104 -22.216 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.025 1.171 -18.897 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.705 1.694 -23.071 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.503 0.779 -18.551 1.00 0.00 H new ATOM 0 HE2 TYR A 81 6.180 1.300 -22.710 1.00 0.00 H new ATOM 0 HH TYR A 81 7.475 -0.128 -20.592 1.00 0.00 H new ATOM 1047 N GLU A 82 -1.176 2.324 -20.964 1.00 0.00 N ATOM 1048 CA GLU A 82 -2.459 2.730 -21.511 1.00 0.00 C ATOM 1049 C GLU A 82 -3.240 3.549 -20.482 1.00 0.00 C ATOM 1050 O GLU A 82 -4.108 4.342 -20.844 1.00 0.00 O ATOM 1051 CB GLU A 82 -3.267 1.515 -21.972 1.00 0.00 C ATOM 1052 CG GLU A 82 -4.238 1.895 -23.091 1.00 0.00 C ATOM 1053 CD GLU A 82 -4.606 0.673 -23.936 1.00 0.00 C ATOM 1054 OE1 GLU A 82 -3.954 0.406 -24.956 1.00 0.00 O ATOM 1055 OE2 GLU A 82 -5.609 -0.010 -23.498 1.00 0.00 O ATOM 0 H GLU A 82 -1.099 1.330 -20.749 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.278 3.358 -22.384 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.590 0.735 -22.322 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.821 1.101 -21.129 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.141 2.330 -22.662 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.787 2.658 -23.725 1.00 0.00 H new ATOM 1063 N SER A 83 -2.903 3.330 -19.219 1.00 0.00 N ATOM 1064 CA SER A 83 -3.562 4.039 -18.135 1.00 0.00 C ATOM 1065 C SER A 83 -3.226 5.530 -18.204 1.00 0.00 C ATOM 1066 O SER A 83 -4.115 6.375 -18.113 1.00 0.00 O ATOM 1067 CB SER A 83 -3.157 3.466 -16.776 1.00 0.00 C ATOM 1068 OG SER A 83 -3.973 2.361 -16.397 1.00 0.00 O ATOM 0 H SER A 83 -2.182 2.672 -18.922 1.00 0.00 H new ATOM 0 HA SER A 83 -4.639 3.910 -18.247 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.114 3.151 -16.812 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.228 4.246 -16.018 1.00 0.00 H new ATOM 0 HG SER A 83 -3.822 1.616 -17.015 1.00 0.00 H new ATOM 1074 N TYR A 84 -1.940 5.807 -18.364 1.00 0.00 N ATOM 1075 CA TYR A 84 -1.476 7.181 -18.446 1.00 0.00 C ATOM 1076 C TYR A 84 -1.213 7.586 -19.899 1.00 0.00 C ATOM 1077 O TYR A 84 -0.870 8.734 -20.175 1.00 0.00 O ATOM 1078 CB TYR A 84 -0.158 7.228 -17.670 1.00 0.00 C ATOM 1079 CG TYR A 84 -0.329 7.182 -16.151 1.00 0.00 C ATOM 1080 CD1 TYR A 84 -0.364 5.967 -15.497 1.00 0.00 C ATOM 1081 CD2 TYR A 84 -0.449 8.355 -15.434 1.00 0.00 C ATOM 1082 CE1 TYR A 84 -0.525 5.924 -14.066 1.00 0.00 C ATOM 1083 CE2 TYR A 84 -0.610 8.312 -14.003 1.00 0.00 C ATOM 1084 CZ TYR A 84 -0.640 7.098 -13.390 1.00 0.00 C ATOM 1085 OH TYR A 84 -0.792 7.057 -12.039 1.00 0.00 O ATOM 0 H TYR A 84 -1.205 5.103 -18.439 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.224 7.863 -18.042 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.465 6.389 -17.981 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.377 8.139 -17.938 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.271 5.049 -16.058 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.422 9.306 -15.946 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.554 4.980 -13.542 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.705 9.223 -13.430 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.860 7.970 -11.690 1.00 0.00 H new ATOM 1095 N CYS A 85 -1.384 6.619 -20.788 1.00 0.00 N ATOM 1096 CA CYS A 85 -1.169 6.859 -22.205 1.00 0.00 C ATOM 1097 C CYS A 85 -1.758 8.228 -22.555 1.00 0.00 C ATOM 1098 O CYS A 85 -2.902 8.521 -22.210 1.00 0.00 O ATOM 1099 CB CYS A 85 -1.767 5.744 -23.065 1.00 0.00 C ATOM 1100 SG CYS A 85 -2.177 6.388 -24.729 1.00 0.00 S ATOM 0 H CYS A 85 -1.669 5.668 -20.555 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.100 6.859 -22.418 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -1.059 4.919 -23.149 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.663 5.347 -22.589 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.682 5.433 -25.452 1.00 0.00 H new ATOM 1106 N GLY A 86 -0.950 9.028 -23.234 1.00 0.00 N ATOM 1107 CA GLY A 86 -1.377 10.358 -23.634 1.00 0.00 C ATOM 1108 C GLY A 86 -0.674 11.433 -22.802 1.00 0.00 C ATOM 1109 O GLY A 86 -0.533 12.572 -23.245 1.00 0.00 O ATOM 0 H GLY A 86 -0.002 8.781 -23.517 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.159 10.511 -24.691 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.457 10.449 -23.514 1.00 0.00 H new ATOM 1113 N ILE A 87 -0.252 11.032 -21.612 1.00 0.00 N ATOM 1114 CA ILE A 87 0.433 11.947 -20.714 1.00 0.00 C ATOM 1115 C ILE A 87 1.920 11.589 -20.666 1.00 0.00 C ATOM 1116 O ILE A 87 2.296 10.557 -20.112 1.00 0.00 O ATOM 1117 CB ILE A 87 -0.242 11.957 -19.342 1.00 0.00 C ATOM 1118 CG1 ILE A 87 -1.757 12.127 -19.477 1.00 0.00 C ATOM 1119 CG2 ILE A 87 0.375 13.023 -18.434 1.00 0.00 C ATOM 1120 CD1 ILE A 87 -2.466 10.772 -19.439 1.00 0.00 C ATOM 0 H ILE A 87 -0.371 10.086 -21.249 1.00 0.00 H new ATOM 0 HA ILE A 87 0.363 12.970 -21.085 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.067 10.991 -18.869 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.129 12.759 -18.670 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.988 12.636 -20.413 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.124 13.008 -17.465 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.437 12.816 -18.299 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.252 14.005 -18.890 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.541 10.921 -19.537 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.109 10.152 -20.261 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.253 10.276 -18.492 1.00 0.00 H new ATOM 1132 N ASP A 88 2.726 12.462 -21.253 1.00 0.00 N ATOM 1133 CA ASP A 88 4.163 12.250 -21.283 1.00 0.00 C ATOM 1134 C ASP A 88 4.848 13.310 -20.418 1.00 0.00 C ATOM 1135 O ASP A 88 5.878 13.042 -19.801 1.00 0.00 O ATOM 1136 CB ASP A 88 4.708 12.378 -22.707 1.00 0.00 C ATOM 1137 CG ASP A 88 4.705 13.797 -23.277 1.00 0.00 C ATOM 1138 OD1 ASP A 88 3.656 14.456 -23.343 1.00 0.00 O ATOM 1139 OD2 ASP A 88 5.855 14.231 -23.668 1.00 0.00 O ATOM 0 H ASP A 88 2.411 13.317 -21.711 1.00 0.00 H new ATOM 0 HA ASP A 88 4.364 11.247 -20.908 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.730 11.998 -22.724 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.119 11.738 -23.364 1.00 0.00 H new ATOM 1145 N ASP A 89 4.250 14.492 -20.401 1.00 0.00 N ATOM 1146 CA ASP A 89 4.789 15.593 -19.622 1.00 0.00 C ATOM 1147 C ASP A 89 3.637 16.389 -19.005 1.00 0.00 C ATOM 1148 O ASP A 89 2.563 16.492 -19.596 1.00 0.00 O ATOM 1149 CB ASP A 89 5.603 16.544 -20.502 1.00 0.00 C ATOM 1150 CG ASP A 89 7.046 16.108 -20.763 1.00 0.00 C ATOM 1151 OD1 ASP A 89 7.601 16.352 -21.844 1.00 0.00 O ATOM 1152 OD2 ASP A 89 7.612 15.483 -19.786 1.00 0.00 O ATOM 0 H ASP A 89 3.397 14.711 -20.915 1.00 0.00 H new ATOM 0 HA ASP A 89 5.435 15.175 -18.850 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.094 16.654 -21.459 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.616 17.528 -20.033 1.00 0.00 H new