USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 772 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 34 MET CE :methyl -130:sc= -3.21! (180deg=-8.21!) USER MOD Set 1.2: A 59 TYR OH : rot 39:sc= -3.55! USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0.0996 USER MOD Set 2.2: A 21 SER OG : rot 102:sc= 0.824 USER MOD Single : A 15 GLN : amide:sc= -0.713 K(o=-0.71,f=-3.3!) USER MOD Single : A 18 ASN : amide:sc= 0.0388 K(o=0.039,f=-1.4) USER MOD Single : A 23 LYS NZ :NH3+ 155:sc= -0.232 (180deg=-1.12) USER MOD Single : A 29 SER OG : rot 180:sc= 0.368 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -176:sc= 0.115 (180deg=0.109) USER MOD Single : A 66 TYR OH : rot -130:sc= 0.546 USER MOD Single : A 67 LYS NZ :NH3+ 143:sc= 1.53 (180deg=0.185) USER MOD Single : A 69 ASN : amide:sc= 0.0357 K(o=0.036,f=-4.9!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 78 THR OG1 : rot 66:sc= 0.543 USER MOD Single : A 79 GLN : amide:sc= -0.0983 X(o=-0.098,f=-0.035) USER MOD Single : A 80 TYR OH : rot 155:sc= 0.336 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 84 SER OG : rot -83:sc= 1.18 USER MOD Single : A 87 THR OG1 : rot -72:sc= 1.27 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.18 K(o=-0.18,f=-3.7!) USER MOD Single : A 97 LYS NZ :NH3+ 147:sc= -0.312 (180deg=-1.81!) USER MOD Single : A 99 SER OG : rot 140:sc= -0.0199 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc=0.000552 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 110 THR OG1 : rot 73:sc= 0.0721 USER MOD Single : A 112 SER OG : rot 81:sc= -0.357 USER MOD Single : A 115 LYS NZ :NH3+ -164:sc=-0.00765 (180deg=-0.249) USER MOD Single : A 116 TYR OH : rot 26:sc= -1.64! USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 14 -2.666 -3.134 -10.414 1.00 0.00 N ATOM 2 CA VAL A 14 -4.010 -2.659 -10.057 1.00 0.00 C ATOM 3 C VAL A 14 -4.307 -1.231 -10.562 1.00 0.00 C ATOM 4 O VAL A 14 -3.474 -0.326 -10.499 1.00 0.00 O ATOM 5 CB VAL A 14 -4.217 -2.860 -8.542 1.00 0.00 C ATOM 6 CG1 VAL A 14 -3.565 -1.781 -7.656 1.00 0.00 C ATOM 7 CG2 VAL A 14 -5.691 -3.076 -8.210 1.00 0.00 C ATOM 0 HA VAL A 14 -4.756 -3.257 -10.580 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.676 -3.772 -8.291 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.762 -2.003 -6.607 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.489 -1.770 -7.829 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.982 -0.805 -7.905 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.805 -3.215 -7.135 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.267 -2.206 -8.527 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.055 -3.962 -8.731 1.00 0.00 H new ATOM 17 N GLN A 15 -5.565 -1.043 -10.941 1.00 0.00 N ATOM 18 CA GLN A 15 -6.092 0.245 -11.455 1.00 0.00 C ATOM 19 C GLN A 15 -6.518 1.133 -10.276 1.00 0.00 C ATOM 20 O GLN A 15 -7.691 1.345 -9.988 1.00 0.00 O ATOM 21 CB GLN A 15 -7.262 -0.023 -12.402 1.00 0.00 C ATOM 22 CG GLN A 15 -6.909 -0.868 -13.644 1.00 0.00 C ATOM 23 CD GLN A 15 -6.548 -2.325 -13.336 1.00 0.00 C ATOM 24 OE1 GLN A 15 -6.961 -2.952 -12.371 1.00 0.00 O ATOM 25 NE2 GLN A 15 -5.633 -2.850 -14.118 1.00 0.00 N ATOM 0 H GLN A 15 -6.268 -1.781 -10.905 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.317 0.770 -12.013 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.051 -0.530 -11.847 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.669 0.932 -12.734 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.755 -0.853 -14.331 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.071 -0.400 -14.161 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.289 -2.327 -14.923 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.267 -3.781 -13.920 1.00 0.00 H new ATOM 34 N ASP A 16 -5.485 1.476 -9.495 1.00 0.00 N ATOM 35 CA ASP A 16 -5.581 2.272 -8.245 1.00 0.00 C ATOM 36 C ASP A 16 -6.652 1.782 -7.251 1.00 0.00 C ATOM 37 O ASP A 16 -7.163 2.544 -6.419 1.00 0.00 O ATOM 38 CB ASP A 16 -5.715 3.755 -8.572 1.00 0.00 C ATOM 39 CG ASP A 16 -4.470 4.257 -9.308 1.00 0.00 C ATOM 40 OD1 ASP A 16 -3.352 3.922 -8.861 1.00 0.00 O ATOM 41 OD2 ASP A 16 -4.666 4.867 -10.382 1.00 0.00 O ATOM 0 H ASP A 16 -4.527 1.203 -9.714 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.645 2.117 -7.709 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.599 3.919 -9.188 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.856 4.325 -7.653 1.00 0.00 H new ATOM 47 N VAL A 17 -6.575 0.469 -7.116 1.00 0.00 N ATOM 48 CA VAL A 17 -7.486 -0.435 -6.383 1.00 0.00 C ATOM 49 C VAL A 17 -8.985 -0.091 -6.512 1.00 0.00 C ATOM 50 O VAL A 17 -9.659 -0.653 -7.381 1.00 0.00 O ATOM 51 CB VAL A 17 -7.034 -0.630 -4.920 1.00 0.00 C ATOM 52 CG1 VAL A 17 -7.749 -1.830 -4.280 1.00 0.00 C ATOM 53 CG2 VAL A 17 -5.535 -0.870 -4.735 1.00 0.00 C ATOM 0 H VAL A 17 -5.812 -0.050 -7.549 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.402 -1.399 -6.884 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.293 0.315 -4.442 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.413 -1.946 -3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.826 -1.662 -4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.516 -2.734 -4.842 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.315 -0.995 -3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.241 -1.770 -5.275 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.979 -0.016 -5.123 1.00 0.00 H new ATOM 63 N ASN A 18 -9.428 0.917 -5.763 1.00 0.00 N ATOM 64 CA ASN A 18 -10.838 1.311 -5.571 1.00 0.00 C ATOM 65 C ASN A 18 -11.678 0.197 -4.936 1.00 0.00 C ATOM 66 O ASN A 18 -11.333 -0.980 -4.953 1.00 0.00 O ATOM 67 CB ASN A 18 -11.502 1.818 -6.854 1.00 0.00 C ATOM 68 CG ASN A 18 -10.788 3.051 -7.435 1.00 0.00 C ATOM 69 OD1 ASN A 18 -10.619 4.082 -6.801 1.00 0.00 O ATOM 70 ND2 ASN A 18 -10.242 2.881 -8.616 1.00 0.00 N ATOM 0 H ASN A 18 -8.787 1.517 -5.244 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.804 2.147 -4.872 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.507 1.021 -7.597 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.543 2.068 -6.647 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.664 3.617 -9.021 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.396 2.013 -9.129 1.00 0.00 H new ATOM 77 N ASP A 19 -12.765 0.643 -4.316 1.00 0.00 N ATOM 78 CA ASP A 19 -13.812 -0.202 -3.698 1.00 0.00 C ATOM 79 C ASP A 19 -14.196 -1.482 -4.465 1.00 0.00 C ATOM 80 O ASP A 19 -14.477 -2.516 -3.870 1.00 0.00 O ATOM 81 CB ASP A 19 -15.093 0.612 -3.467 1.00 0.00 C ATOM 82 CG ASP A 19 -15.062 1.399 -2.157 1.00 0.00 C ATOM 83 OD1 ASP A 19 -15.607 0.877 -1.167 1.00 0.00 O ATOM 84 OD2 ASP A 19 -14.491 2.519 -2.166 1.00 0.00 O ATOM 0 H ASP A 19 -12.960 1.640 -4.220 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.353 -0.531 -2.766 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -15.235 1.303 -4.298 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -15.951 -0.061 -3.462 1.00 0.00 H new ATOM 90 N SER A 20 -14.131 -1.374 -5.795 1.00 0.00 N ATOM 91 CA SER A 20 -14.437 -2.439 -6.761 1.00 0.00 C ATOM 92 C SER A 20 -13.469 -3.636 -6.618 1.00 0.00 C ATOM 93 O SER A 20 -13.864 -4.720 -6.199 1.00 0.00 O ATOM 94 CB SER A 20 -14.357 -1.836 -8.166 1.00 0.00 C ATOM 95 OG SER A 20 -13.156 -1.060 -8.304 1.00 0.00 O ATOM 0 H SER A 20 -13.852 -0.505 -6.250 1.00 0.00 H new ATOM 0 HA SER A 20 -15.438 -2.827 -6.571 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.373 -2.630 -8.912 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.228 -1.207 -8.350 1.00 0.00 H new ATOM 0 HG SER A 20 -13.114 -0.680 -9.206 1.00 0.00 H new ATOM 101 N SER A 21 -12.195 -3.367 -6.893 1.00 0.00 N ATOM 102 CA SER A 21 -11.113 -4.370 -6.811 1.00 0.00 C ATOM 103 C SER A 21 -10.742 -4.751 -5.379 1.00 0.00 C ATOM 104 O SER A 21 -10.231 -5.846 -5.171 1.00 0.00 O ATOM 105 CB SER A 21 -9.833 -3.895 -7.483 1.00 0.00 C ATOM 106 OG SER A 21 -10.160 -3.126 -8.647 1.00 0.00 O ATOM 0 H SER A 21 -11.873 -2.443 -7.182 1.00 0.00 H new ATOM 0 HA SER A 21 -11.525 -5.238 -7.326 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.248 -3.292 -6.789 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.217 -4.750 -7.761 1.00 0.00 H new ATOM 0 HG SER A 21 -10.058 -2.172 -8.448 1.00 0.00 H new ATOM 112 N TRP A 22 -11.026 -3.875 -4.406 1.00 0.00 N ATOM 113 CA TRP A 22 -10.683 -4.124 -2.987 1.00 0.00 C ATOM 114 C TRP A 22 -11.087 -5.531 -2.522 1.00 0.00 C ATOM 115 O TRP A 22 -10.258 -6.319 -2.090 1.00 0.00 O ATOM 116 CB TRP A 22 -11.356 -3.061 -2.119 1.00 0.00 C ATOM 117 CG TRP A 22 -10.864 -3.215 -0.677 1.00 0.00 C ATOM 118 CD1 TRP A 22 -11.495 -3.811 0.314 1.00 0.00 C ATOM 119 CD2 TRP A 22 -9.655 -2.736 -0.184 1.00 0.00 C ATOM 120 NE1 TRP A 22 -10.777 -3.715 1.439 1.00 0.00 N ATOM 121 CE2 TRP A 22 -9.630 -3.098 1.174 1.00 0.00 C ATOM 122 CE3 TRP A 22 -8.592 -2.033 -0.771 1.00 0.00 C ATOM 123 CZ2 TRP A 22 -8.517 -2.768 1.978 1.00 0.00 C ATOM 124 CZ3 TRP A 22 -7.488 -1.704 0.022 1.00 0.00 C ATOM 125 CH2 TRP A 22 -7.447 -2.063 1.385 1.00 0.00 C ATOM 0 H TRP A 22 -11.494 -2.983 -4.570 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.599 -4.063 -2.886 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.121 -2.065 -2.493 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.440 -3.170 -2.161 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.452 -4.305 0.231 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -11.064 -4.061 2.355 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.626 -1.752 -1.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.485 -3.048 3.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.658 -1.169 -0.414 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.588 -1.796 1.982 1.00 0.00 H new ATOM 136 N LYS A 23 -12.347 -5.860 -2.775 1.00 0.00 N ATOM 137 CA LYS A 23 -12.890 -7.181 -2.408 1.00 0.00 C ATOM 138 C LYS A 23 -12.179 -8.351 -3.100 1.00 0.00 C ATOM 139 O LYS A 23 -11.271 -8.921 -2.509 1.00 0.00 O ATOM 140 CB LYS A 23 -14.404 -7.171 -2.572 1.00 0.00 C ATOM 141 CG LYS A 23 -14.908 -6.319 -1.425 1.00 0.00 C ATOM 142 CD LYS A 23 -16.378 -5.942 -1.576 1.00 0.00 C ATOM 143 CE LYS A 23 -16.752 -4.915 -0.507 1.00 0.00 C ATOM 144 NZ LYS A 23 -15.963 -3.686 -0.711 1.00 0.00 N ATOM 0 H LYS A 23 -13.017 -5.240 -3.230 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.678 -7.363 -1.354 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.695 -6.752 -3.535 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.814 -8.180 -2.526 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.770 -6.859 -0.488 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.309 -5.411 -1.361 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.559 -5.532 -2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -17.004 -6.829 -1.479 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.817 -4.690 -0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.562 -5.322 0.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.472 -2.875 -0.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.039 -3.785 -0.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.820 -3.530 -1.729 1.00 0.00 H new ATOM 158 N GLU A 24 -12.343 -8.434 -4.411 1.00 0.00 N ATOM 159 CA GLU A 24 -11.715 -9.497 -5.223 1.00 0.00 C ATOM 160 C GLU A 24 -10.176 -9.608 -5.131 1.00 0.00 C ATOM 161 O GLU A 24 -9.658 -10.723 -5.149 1.00 0.00 O ATOM 162 CB GLU A 24 -12.161 -9.394 -6.677 1.00 0.00 C ATOM 163 CG GLU A 24 -11.883 -8.012 -7.261 1.00 0.00 C ATOM 164 CD GLU A 24 -12.373 -7.886 -8.703 1.00 0.00 C ATOM 165 OE1 GLU A 24 -13.611 -7.845 -8.885 1.00 0.00 O ATOM 166 OE2 GLU A 24 -11.499 -7.850 -9.594 1.00 0.00 O ATOM 0 H GLU A 24 -12.908 -7.778 -4.951 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.075 -10.424 -4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.644 -10.149 -7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.227 -9.609 -6.746 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.370 -7.255 -6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.812 -7.812 -7.224 1.00 0.00 H new ATOM 174 N PHE A 25 -9.460 -8.491 -4.965 1.00 0.00 N ATOM 175 CA PHE A 25 -7.984 -8.536 -4.953 1.00 0.00 C ATOM 176 C PHE A 25 -7.256 -8.574 -3.607 1.00 0.00 C ATOM 177 O PHE A 25 -6.250 -9.276 -3.435 1.00 0.00 O ATOM 178 CB PHE A 25 -7.422 -7.370 -5.770 1.00 0.00 C ATOM 179 CG PHE A 25 -7.386 -7.544 -7.289 1.00 0.00 C ATOM 180 CD1 PHE A 25 -7.800 -8.731 -7.955 1.00 0.00 C ATOM 181 CD2 PHE A 25 -6.745 -6.515 -8.000 1.00 0.00 C ATOM 182 CE1 PHE A 25 -7.566 -8.873 -9.337 1.00 0.00 C ATOM 183 CE2 PHE A 25 -6.503 -6.656 -9.387 1.00 0.00 C ATOM 184 CZ PHE A 25 -6.913 -7.835 -10.047 1.00 0.00 C ATOM 0 H PHE A 25 -9.862 -7.562 -4.839 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.784 -9.517 -5.384 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.012 -6.482 -5.544 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.406 -7.174 -5.427 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.291 -9.519 -7.404 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.437 -5.616 -7.487 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.882 -9.768 -9.852 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.009 -5.868 -9.936 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.727 -7.947 -11.105 1.00 0.00 H new ATOM 194 N VAL A 26 -7.846 -7.868 -2.651 1.00 0.00 N ATOM 195 CA VAL A 26 -7.252 -7.665 -1.311 1.00 0.00 C ATOM 196 C VAL A 26 -7.888 -8.611 -0.291 1.00 0.00 C ATOM 197 O VAL A 26 -7.204 -9.215 0.538 1.00 0.00 O ATOM 198 CB VAL A 26 -7.389 -6.185 -0.875 1.00 0.00 C ATOM 199 CG1 VAL A 26 -6.886 -5.924 0.558 1.00 0.00 C ATOM 200 CG2 VAL A 26 -6.641 -5.250 -1.824 1.00 0.00 C ATOM 0 H VAL A 26 -8.752 -7.414 -2.771 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.189 -7.900 -1.361 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.459 -5.979 -0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.010 -4.869 0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.460 -6.528 1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.831 -6.191 0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.759 -4.220 -1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.583 -5.510 -1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.047 -5.352 -2.830 1.00 0.00 H new ATOM 210 N LEU A 27 -9.215 -8.683 -0.357 1.00 0.00 N ATOM 211 CA LEU A 27 -10.004 -9.502 0.572 1.00 0.00 C ATOM 212 C LEU A 27 -10.228 -10.944 0.115 1.00 0.00 C ATOM 213 O LEU A 27 -10.227 -11.861 0.933 1.00 0.00 O ATOM 214 CB LEU A 27 -11.347 -8.796 0.834 1.00 0.00 C ATOM 215 CG LEU A 27 -11.409 -7.867 2.055 1.00 0.00 C ATOM 216 CD1 LEU A 27 -11.612 -8.665 3.347 1.00 0.00 C ATOM 217 CD2 LEU A 27 -10.229 -6.888 2.178 1.00 0.00 C ATOM 0 H LEU A 27 -9.774 -8.182 -1.048 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.423 -9.590 1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.604 -8.213 -0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.117 -9.559 0.947 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.281 -7.235 1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.652 -7.981 4.195 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.546 -9.223 3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.782 -9.359 3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.358 -6.273 3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.298 -7.449 2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.194 -6.248 1.297 1.00 0.00 H new ATOM 229 N GLU A 28 -10.383 -11.112 -1.199 1.00 0.00 N ATOM 230 CA GLU A 28 -10.822 -12.412 -1.766 1.00 0.00 C ATOM 231 C GLU A 28 -10.006 -12.934 -2.960 1.00 0.00 C ATOM 232 O GLU A 28 -10.554 -13.349 -3.989 1.00 0.00 O ATOM 233 CB GLU A 28 -12.302 -12.306 -2.128 1.00 0.00 C ATOM 234 CG GLU A 28 -13.204 -12.122 -0.913 1.00 0.00 C ATOM 235 CD GLU A 28 -14.532 -11.526 -1.365 1.00 0.00 C ATOM 236 OE1 GLU A 28 -15.507 -12.297 -1.449 1.00 0.00 O ATOM 237 OE2 GLU A 28 -14.539 -10.301 -1.630 1.00 0.00 O ATOM 0 H GLU A 28 -10.217 -10.382 -1.892 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.647 -13.156 -0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.444 -11.467 -2.809 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.604 -13.206 -2.664 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.370 -13.079 -0.419 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.726 -11.467 -0.185 1.00 0.00 H new ATOM 245 N SER A 29 -8.686 -12.894 -2.820 1.00 0.00 N ATOM 246 CA SER A 29 -7.802 -13.544 -3.798 1.00 0.00 C ATOM 247 C SER A 29 -7.265 -14.808 -3.122 1.00 0.00 C ATOM 248 O SER A 29 -7.931 -15.431 -2.293 1.00 0.00 O ATOM 249 CB SER A 29 -6.762 -12.500 -4.207 1.00 0.00 C ATOM 250 OG SER A 29 -5.942 -13.013 -5.268 1.00 0.00 O ATOM 0 H SER A 29 -8.203 -12.427 -2.052 1.00 0.00 H new ATOM 0 HA SER A 29 -8.275 -13.874 -4.723 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.260 -11.586 -4.531 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.141 -12.238 -3.350 1.00 0.00 H new ATOM 0 HG SER A 29 -5.280 -12.338 -5.525 1.00 0.00 H new ATOM 256 N GLU A 30 -6.063 -15.184 -3.507 1.00 0.00 N ATOM 257 CA GLU A 30 -5.322 -16.314 -2.932 1.00 0.00 C ATOM 258 C GLU A 30 -3.922 -15.840 -2.499 1.00 0.00 C ATOM 259 O GLU A 30 -3.018 -16.613 -2.221 1.00 0.00 O ATOM 260 CB GLU A 30 -5.207 -17.369 -4.029 1.00 0.00 C ATOM 261 CG GLU A 30 -5.350 -18.779 -3.450 1.00 0.00 C ATOM 262 CD GLU A 30 -5.206 -19.838 -4.541 1.00 0.00 C ATOM 263 OE1 GLU A 30 -6.262 -20.248 -5.082 1.00 0.00 O ATOM 264 OE2 GLU A 30 -4.053 -20.202 -4.817 1.00 0.00 O ATOM 0 H GLU A 30 -5.551 -14.706 -4.248 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.828 -16.721 -2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.977 -17.201 -4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.244 -17.274 -4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.593 -18.939 -2.682 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.322 -18.880 -2.966 1.00 0.00 H new ATOM 272 N VAL A 31 -3.835 -14.518 -2.302 1.00 0.00 N ATOM 273 CA VAL A 31 -2.544 -13.835 -2.112 1.00 0.00 C ATOM 274 C VAL A 31 -2.443 -13.134 -0.751 1.00 0.00 C ATOM 275 O VAL A 31 -3.382 -12.435 -0.362 1.00 0.00 O ATOM 276 CB VAL A 31 -2.307 -12.817 -3.257 1.00 0.00 C ATOM 277 CG1 VAL A 31 -2.183 -13.514 -4.608 1.00 0.00 C ATOM 278 CG2 VAL A 31 -3.372 -11.718 -3.348 1.00 0.00 C ATOM 0 H VAL A 31 -4.644 -13.897 -2.270 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.769 -14.601 -2.135 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.366 -12.330 -3.003 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.018 -12.770 -5.387 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.342 -14.207 -4.584 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.100 -14.063 -4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.133 -11.048 -4.174 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.349 -12.171 -3.519 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.392 -11.153 -2.416 1.00 0.00 H new ATOM 288 N PRO A 32 -1.295 -13.238 -0.071 1.00 0.00 N ATOM 289 CA PRO A 32 -0.990 -12.335 1.057 1.00 0.00 C ATOM 290 C PRO A 32 -0.901 -10.943 0.396 1.00 0.00 C ATOM 291 O PRO A 32 -0.425 -10.795 -0.735 1.00 0.00 O ATOM 292 CB PRO A 32 0.378 -12.786 1.579 1.00 0.00 C ATOM 293 CG PRO A 32 0.495 -14.223 1.087 1.00 0.00 C ATOM 294 CD PRO A 32 -0.213 -14.211 -0.271 1.00 0.00 C ATOM 0 HA PRO A 32 -1.707 -12.331 1.878 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.182 -12.162 1.188 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.431 -12.729 2.666 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.537 -14.528 0.991 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.021 -14.921 1.778 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.459 -13.908 -1.074 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.599 -15.196 -0.533 1.00 0.00 H new ATOM 302 N VAL A 33 -1.467 -9.954 1.067 1.00 0.00 N ATOM 303 CA VAL A 33 -1.690 -8.642 0.432 1.00 0.00 C ATOM 304 C VAL A 33 -1.005 -7.505 1.182 1.00 0.00 C ATOM 305 O VAL A 33 -0.984 -7.450 2.421 1.00 0.00 O ATOM 306 CB VAL A 33 -3.221 -8.423 0.338 1.00 0.00 C ATOM 307 CG1 VAL A 33 -3.614 -7.022 -0.117 1.00 0.00 C ATOM 308 CG2 VAL A 33 -3.916 -9.442 -0.581 1.00 0.00 C ATOM 0 H VAL A 33 -1.780 -10.020 2.036 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.243 -8.639 -0.562 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.563 -8.564 1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.700 -6.944 -0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.225 -6.288 0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.198 -6.831 -1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.986 -9.238 -0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.507 -9.362 -1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.748 -10.449 -0.200 1.00 0.00 H new ATOM 318 N MET A 34 -0.536 -6.570 0.361 1.00 0.00 N ATOM 319 CA MET A 34 -0.031 -5.281 0.807 1.00 0.00 C ATOM 320 C MET A 34 -0.816 -4.180 0.092 1.00 0.00 C ATOM 321 O MET A 34 -0.946 -4.183 -1.136 1.00 0.00 O ATOM 322 CB MET A 34 1.451 -5.170 0.466 1.00 0.00 C ATOM 323 CG MET A 34 2.015 -3.817 0.904 1.00 0.00 C ATOM 324 SD MET A 34 3.827 -3.694 0.673 1.00 0.00 S ATOM 325 CE MET A 34 4.327 -4.879 1.901 1.00 0.00 C ATOM 0 H MET A 34 -0.497 -6.692 -0.651 1.00 0.00 H new ATOM 0 HA MET A 34 -0.152 -5.180 1.886 1.00 0.00 H new ATOM 0 HB2 MET A 34 2.002 -5.973 0.956 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.591 -5.296 -0.608 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.527 -3.024 0.337 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.775 -3.652 1.954 1.00 0.00 H new ATOM 0 HE1 MET A 34 5.093 -4.439 2.540 1.00 0.00 H new ATOM 0 HE2 MET A 34 3.466 -5.160 2.507 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.730 -5.765 1.409 1.00 0.00 H new ATOM 335 N VAL A 35 -1.297 -3.243 0.895 1.00 0.00 N ATOM 336 CA VAL A 35 -1.957 -2.048 0.365 1.00 0.00 C ATOM 337 C VAL A 35 -1.344 -0.741 0.899 1.00 0.00 C ATOM 338 O VAL A 35 -1.222 -0.524 2.105 1.00 0.00 O ATOM 339 CB VAL A 35 -3.481 -2.150 0.520 1.00 0.00 C ATOM 340 CG1 VAL A 35 -3.909 -2.168 1.997 1.00 0.00 C ATOM 341 CG2 VAL A 35 -4.168 -1.001 -0.221 1.00 0.00 C ATOM 0 H VAL A 35 -1.246 -3.282 1.913 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.767 -2.004 -0.707 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.793 -3.097 0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.995 -2.241 2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.458 -3.026 2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.578 -1.250 2.483 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.248 -1.086 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.832 -0.050 0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.914 -1.048 -1.280 1.00 0.00 H new ATOM 351 N ASP A 36 -1.130 0.119 -0.078 1.00 0.00 N ATOM 352 CA ASP A 36 -0.534 1.459 0.047 1.00 0.00 C ATOM 353 C ASP A 36 -1.635 2.526 -0.103 1.00 0.00 C ATOM 354 O ASP A 36 -2.349 2.526 -1.097 1.00 0.00 O ATOM 355 CB ASP A 36 0.465 1.568 -1.111 1.00 0.00 C ATOM 356 CG ASP A 36 1.206 2.902 -1.203 1.00 0.00 C ATOM 357 OD1 ASP A 36 0.569 3.883 -1.654 1.00 0.00 O ATOM 358 OD2 ASP A 36 2.404 2.893 -0.859 1.00 0.00 O ATOM 0 H ASP A 36 -1.378 -0.101 -1.043 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.052 1.610 1.013 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.199 0.768 -1.014 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.068 1.400 -2.047 1.00 0.00 H new ATOM 364 N PHE A 37 -1.671 3.424 0.863 1.00 0.00 N ATOM 365 CA PHE A 37 -2.619 4.561 0.863 1.00 0.00 C ATOM 366 C PHE A 37 -1.896 5.907 0.800 1.00 0.00 C ATOM 367 O PHE A 37 -1.214 6.311 1.738 1.00 0.00 O ATOM 368 CB PHE A 37 -3.495 4.627 2.110 1.00 0.00 C ATOM 369 CG PHE A 37 -4.523 3.502 2.198 1.00 0.00 C ATOM 370 CD1 PHE A 37 -4.131 2.171 2.471 1.00 0.00 C ATOM 371 CD2 PHE A 37 -5.884 3.848 2.077 1.00 0.00 C ATOM 372 CE1 PHE A 37 -5.112 1.171 2.582 1.00 0.00 C ATOM 373 CE2 PHE A 37 -6.871 2.854 2.217 1.00 0.00 C ATOM 374 CZ PHE A 37 -6.480 1.518 2.432 1.00 0.00 C ATOM 0 H PHE A 37 -1.053 3.401 1.674 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.232 4.384 -0.021 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.857 4.594 2.993 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.015 5.585 2.128 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.086 1.925 2.593 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.168 4.871 1.878 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.828 0.148 2.780 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.918 3.113 2.160 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.233 0.746 2.484 1.00 0.00 H new ATOM 384 N TRP A 38 -2.196 6.612 -0.284 1.00 0.00 N ATOM 385 CA TRP A 38 -1.660 7.970 -0.512 1.00 0.00 C ATOM 386 C TRP A 38 -2.811 8.938 -0.845 1.00 0.00 C ATOM 387 O TRP A 38 -3.819 8.550 -1.453 1.00 0.00 O ATOM 388 CB TRP A 38 -0.590 7.872 -1.606 1.00 0.00 C ATOM 389 CG TRP A 38 -1.176 7.757 -3.007 1.00 0.00 C ATOM 390 CD1 TRP A 38 -1.792 6.691 -3.499 1.00 0.00 C ATOM 391 CD2 TRP A 38 -1.505 8.842 -3.807 1.00 0.00 C ATOM 392 NE1 TRP A 38 -2.502 7.022 -4.580 1.00 0.00 N ATOM 393 CE2 TRP A 38 -2.385 8.338 -4.787 1.00 0.00 C ATOM 394 CE3 TRP A 38 -1.267 10.226 -3.698 1.00 0.00 C ATOM 395 CZ2 TRP A 38 -3.067 9.213 -5.647 1.00 0.00 C ATOM 396 CZ3 TRP A 38 -1.939 11.088 -4.564 1.00 0.00 C ATOM 397 CH2 TRP A 38 -2.825 10.605 -5.549 1.00 0.00 C ATOM 0 H TRP A 38 -2.808 6.274 -1.027 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.186 8.378 0.380 1.00 0.00 H new ATOM 0 HB2 TRP A 38 0.051 8.752 -1.558 1.00 0.00 H new ATOM 0 HB3 TRP A 38 0.042 7.006 -1.411 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.728 5.696 -3.084 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.045 6.377 -5.154 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.579 10.611 -2.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.767 8.830 -6.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.777 12.152 -4.478 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.315 11.291 -6.224 1.00 0.00 H new ATOM 408 N ALA A 39 -2.591 10.228 -0.549 1.00 0.00 N ATOM 409 CA ALA A 39 -3.610 11.271 -0.727 1.00 0.00 C ATOM 410 C ALA A 39 -3.023 12.460 -1.502 1.00 0.00 C ATOM 411 O ALA A 39 -1.910 12.876 -1.180 1.00 0.00 O ATOM 412 CB ALA A 39 -4.088 11.741 0.650 1.00 0.00 C ATOM 0 H ALA A 39 -1.705 10.575 -0.181 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.448 10.864 -1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.845 12.516 0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.516 10.899 1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.244 12.144 1.210 1.00 0.00 H new ATOM 418 N PRO A 40 -3.762 13.026 -2.472 1.00 0.00 N ATOM 419 CA PRO A 40 -3.263 14.170 -3.279 1.00 0.00 C ATOM 420 C PRO A 40 -2.899 15.403 -2.445 1.00 0.00 C ATOM 421 O PRO A 40 -1.849 15.993 -2.644 1.00 0.00 O ATOM 422 CB PRO A 40 -4.362 14.440 -4.300 1.00 0.00 C ATOM 423 CG PRO A 40 -5.626 13.876 -3.659 1.00 0.00 C ATOM 424 CD PRO A 40 -5.125 12.655 -2.883 1.00 0.00 C ATOM 0 HA PRO A 40 -2.317 13.925 -3.761 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.462 15.506 -4.503 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.148 13.953 -5.251 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.099 14.603 -2.999 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.366 13.598 -4.410 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.758 12.443 -2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.124 11.760 -3.505 1.00 0.00 H new ATOM 557 N ALA A 49 4.100 4.496 -3.231 1.00 0.00 N ATOM 558 CA ALA A 49 3.692 3.462 -4.197 1.00 0.00 C ATOM 559 C ALA A 49 4.844 2.757 -4.936 1.00 0.00 C ATOM 560 O ALA A 49 4.881 1.529 -4.913 1.00 0.00 O ATOM 561 CB ALA A 49 2.549 3.952 -5.113 1.00 0.00 C ATOM 0 HA ALA A 49 3.280 2.652 -3.595 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.277 3.160 -5.811 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.683 4.213 -4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.879 4.829 -5.670 1.00 0.00 H new ATOM 567 N PRO A 50 5.861 3.481 -5.425 1.00 0.00 N ATOM 568 CA PRO A 50 7.128 2.917 -5.948 1.00 0.00 C ATOM 569 C PRO A 50 7.834 2.046 -4.909 1.00 0.00 C ATOM 570 O PRO A 50 8.216 0.917 -5.201 1.00 0.00 O ATOM 571 CB PRO A 50 7.977 4.143 -6.279 1.00 0.00 C ATOM 572 CG PRO A 50 6.962 5.194 -6.699 1.00 0.00 C ATOM 573 CD PRO A 50 5.757 4.891 -5.794 1.00 0.00 C ATOM 0 HA PRO A 50 6.956 2.270 -6.808 1.00 0.00 H new ATOM 0 HB2 PRO A 50 8.557 4.471 -5.416 1.00 0.00 H new ATOM 0 HB3 PRO A 50 8.687 3.932 -7.079 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.340 6.205 -6.544 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.706 5.108 -7.755 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.768 5.526 -4.908 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.820 5.088 -6.316 1.00 0.00 H new ATOM 581 N VAL A 51 7.937 2.537 -3.677 1.00 0.00 N ATOM 582 CA VAL A 51 8.465 1.770 -2.521 1.00 0.00 C ATOM 583 C VAL A 51 7.727 0.426 -2.337 1.00 0.00 C ATOM 584 O VAL A 51 8.356 -0.628 -2.288 1.00 0.00 O ATOM 585 CB VAL A 51 8.434 2.717 -1.305 1.00 0.00 C ATOM 586 CG1 VAL A 51 8.501 2.026 0.065 1.00 0.00 C ATOM 587 CG2 VAL A 51 9.536 3.781 -1.423 1.00 0.00 C ATOM 0 H VAL A 51 7.657 3.488 -3.437 1.00 0.00 H new ATOM 0 HA VAL A 51 9.497 1.455 -2.677 1.00 0.00 H new ATOM 0 HB VAL A 51 7.450 3.185 -1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.473 2.778 0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.651 1.353 0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.427 1.456 0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.499 4.441 -0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.510 3.293 -1.467 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.382 4.365 -2.330 1.00 0.00 H new ATOM 597 N ILE A 52 6.388 0.467 -2.417 1.00 0.00 N ATOM 598 CA ILE A 52 5.534 -0.736 -2.357 1.00 0.00 C ATOM 599 C ILE A 52 5.743 -1.663 -3.575 1.00 0.00 C ATOM 600 O ILE A 52 5.990 -2.851 -3.398 1.00 0.00 O ATOM 601 CB ILE A 52 4.087 -0.249 -2.076 1.00 0.00 C ATOM 602 CG1 ILE A 52 3.799 -0.160 -0.570 1.00 0.00 C ATOM 603 CG2 ILE A 52 2.972 -1.047 -2.746 1.00 0.00 C ATOM 604 CD1 ILE A 52 4.757 0.736 0.211 1.00 0.00 C ATOM 0 H ILE A 52 5.863 1.335 -2.525 1.00 0.00 H new ATOM 0 HA ILE A 52 5.809 -1.402 -1.540 1.00 0.00 H new ATOM 0 HB ILE A 52 4.069 0.740 -2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.783 0.208 -0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.836 -1.164 -0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.006 -0.617 -2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.099 -1.011 -3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.013 -2.083 -2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.477 0.738 1.264 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.774 0.359 0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.705 1.752 -0.180 1.00 0.00 H new ATOM 616 N ASP A 53 5.902 -1.038 -4.736 1.00 0.00 N ATOM 617 CA ASP A 53 6.219 -1.751 -6.003 1.00 0.00 C ATOM 618 C ASP A 53 7.536 -2.535 -5.926 1.00 0.00 C ATOM 619 O ASP A 53 7.710 -3.592 -6.525 1.00 0.00 O ATOM 620 CB ASP A 53 6.284 -0.772 -7.175 1.00 0.00 C ATOM 621 CG ASP A 53 4.910 -0.247 -7.603 1.00 0.00 C ATOM 622 OD1 ASP A 53 4.061 -1.120 -7.844 1.00 0.00 O ATOM 623 OD2 ASP A 53 4.762 0.992 -7.678 1.00 0.00 O ATOM 0 H ASP A 53 5.819 -0.027 -4.843 1.00 0.00 H new ATOM 0 HA ASP A 53 5.412 -2.466 -6.161 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.918 0.071 -6.900 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.758 -1.264 -8.024 1.00 0.00 H new ATOM 629 N GLU A 54 8.472 -1.938 -5.202 1.00 0.00 N ATOM 630 CA GLU A 54 9.781 -2.525 -4.865 1.00 0.00 C ATOM 631 C GLU A 54 9.715 -3.648 -3.829 1.00 0.00 C ATOM 632 O GLU A 54 10.346 -4.681 -4.004 1.00 0.00 O ATOM 633 CB GLU A 54 10.726 -1.481 -4.269 1.00 0.00 C ATOM 634 CG GLU A 54 11.702 -0.909 -5.296 1.00 0.00 C ATOM 635 CD GLU A 54 11.153 0.326 -6.014 1.00 0.00 C ATOM 636 OE1 GLU A 54 10.247 0.171 -6.856 1.00 0.00 O ATOM 637 OE2 GLU A 54 11.717 1.415 -5.736 1.00 0.00 O ATOM 0 H GLU A 54 8.347 -1.002 -4.816 1.00 0.00 H new ATOM 0 HA GLU A 54 10.137 -2.919 -5.817 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.139 -0.668 -3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.289 -1.932 -3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.635 -0.648 -4.797 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.938 -1.677 -6.033 1.00 0.00 H new ATOM 645 N LEU A 55 8.967 -3.413 -2.754 1.00 0.00 N ATOM 646 CA LEU A 55 8.771 -4.410 -1.688 1.00 0.00 C ATOM 647 C LEU A 55 8.289 -5.788 -2.171 1.00 0.00 C ATOM 648 O LEU A 55 8.824 -6.809 -1.752 1.00 0.00 O ATOM 649 CB LEU A 55 7.846 -3.854 -0.593 1.00 0.00 C ATOM 650 CG LEU A 55 8.508 -2.751 0.242 1.00 0.00 C ATOM 651 CD1 LEU A 55 7.521 -2.300 1.316 1.00 0.00 C ATOM 652 CD2 LEU A 55 9.840 -3.160 0.898 1.00 0.00 C ATOM 0 H LEU A 55 8.479 -2.532 -2.591 1.00 0.00 H new ATOM 0 HA LEU A 55 9.763 -4.591 -1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.941 -3.460 -1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.540 -4.667 0.065 1.00 0.00 H new ATOM 0 HG LEU A 55 8.758 -1.942 -0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.975 -1.515 1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.618 -1.916 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.265 -3.146 1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.238 -2.321 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.672 -4.005 1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.554 -3.444 0.125 1.00 0.00 H new ATOM 664 N ALA A 56 7.603 -5.724 -3.307 1.00 0.00 N ATOM 665 CA ALA A 56 7.106 -6.889 -4.055 1.00 0.00 C ATOM 666 C ALA A 56 8.272 -7.810 -4.459 1.00 0.00 C ATOM 667 O ALA A 56 8.335 -8.976 -4.065 1.00 0.00 O ATOM 668 CB ALA A 56 6.382 -6.398 -5.304 1.00 0.00 C ATOM 0 H ALA A 56 7.367 -4.837 -3.752 1.00 0.00 H new ATOM 0 HA ALA A 56 6.423 -7.457 -3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.008 -7.253 -5.868 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.546 -5.762 -5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.073 -5.828 -5.925 1.00 0.00 H new ATOM 674 N LYS A 57 9.234 -7.213 -5.179 1.00 0.00 N ATOM 675 CA LYS A 57 10.446 -7.921 -5.633 1.00 0.00 C ATOM 676 C LYS A 57 11.480 -8.180 -4.527 1.00 0.00 C ATOM 677 O LYS A 57 12.141 -9.215 -4.533 1.00 0.00 O ATOM 678 CB LYS A 57 11.069 -7.275 -6.877 1.00 0.00 C ATOM 679 CG LYS A 57 11.423 -5.801 -6.722 1.00 0.00 C ATOM 680 CD LYS A 57 12.019 -5.270 -8.029 1.00 0.00 C ATOM 681 CE LYS A 57 12.148 -3.748 -7.963 1.00 0.00 C ATOM 682 NZ LYS A 57 12.802 -3.242 -9.171 1.00 0.00 N ATOM 0 H LYS A 57 9.197 -6.234 -5.462 1.00 0.00 H new ATOM 0 HA LYS A 57 10.098 -8.911 -5.926 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.972 -7.825 -7.141 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.375 -7.382 -7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.533 -5.230 -6.459 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.136 -5.673 -5.908 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.997 -5.719 -8.202 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.385 -5.554 -8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.161 -3.297 -7.859 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.724 -3.463 -7.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.884 -2.207 -9.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.751 -3.660 -9.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.237 -3.499 -10.005 1.00 0.00 H new ATOM 696 N GLU A 58 11.459 -7.318 -3.509 1.00 0.00 N ATOM 697 CA GLU A 58 12.311 -7.444 -2.303 1.00 0.00 C ATOM 698 C GLU A 58 12.172 -8.827 -1.660 1.00 0.00 C ATOM 699 O GLU A 58 13.164 -9.505 -1.394 1.00 0.00 O ATOM 700 CB GLU A 58 11.935 -6.352 -1.296 1.00 0.00 C ATOM 701 CG GLU A 58 13.041 -5.314 -1.074 1.00 0.00 C ATOM 702 CD GLU A 58 13.108 -4.259 -2.175 1.00 0.00 C ATOM 703 OE1 GLU A 58 13.682 -4.557 -3.250 1.00 0.00 O ATOM 704 OE2 GLU A 58 12.605 -3.143 -1.920 1.00 0.00 O ATOM 0 H GLU A 58 10.848 -6.502 -3.489 1.00 0.00 H new ATOM 0 HA GLU A 58 13.352 -7.324 -2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.036 -5.844 -1.643 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.689 -6.818 -0.342 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.879 -4.820 -0.116 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.002 -5.825 -1.011 1.00 0.00 H new ATOM 712 N TYR A 59 10.929 -9.220 -1.417 1.00 0.00 N ATOM 713 CA TYR A 59 10.601 -10.596 -0.979 1.00 0.00 C ATOM 714 C TYR A 59 9.668 -11.276 -1.983 1.00 0.00 C ATOM 715 O TYR A 59 8.445 -11.234 -1.893 1.00 0.00 O ATOM 716 CB TYR A 59 10.152 -10.716 0.483 1.00 0.00 C ATOM 717 CG TYR A 59 9.457 -9.490 1.068 1.00 0.00 C ATOM 718 CD1 TYR A 59 8.133 -9.168 0.709 1.00 0.00 C ATOM 719 CD2 TYR A 59 10.296 -8.620 1.794 1.00 0.00 C ATOM 720 CE1 TYR A 59 7.649 -7.903 1.056 1.00 0.00 C ATOM 721 CE2 TYR A 59 9.804 -7.356 2.129 1.00 0.00 C ATOM 722 CZ TYR A 59 8.501 -7.001 1.737 1.00 0.00 C ATOM 723 OH TYR A 59 8.187 -5.684 1.737 1.00 0.00 O ATOM 0 H TYR A 59 10.117 -8.610 -1.513 1.00 0.00 H new ATOM 0 HA TYR A 59 11.537 -11.155 -0.980 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.477 -11.567 0.567 1.00 0.00 H new ATOM 0 HB3 TYR A 59 11.026 -10.941 1.094 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.511 -9.877 0.182 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.292 -8.922 2.083 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.637 -7.618 0.807 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.417 -6.660 2.682 1.00 0.00 H new ATOM 0 HH TYR A 59 7.217 -5.579 1.828 1.00 0.00 H new ATOM 733 N SER A 60 10.336 -11.448 -3.110 1.00 0.00 N ATOM 734 CA SER A 60 9.886 -12.100 -4.347 1.00 0.00 C ATOM 735 C SER A 60 8.591 -12.915 -4.247 1.00 0.00 C ATOM 736 O SER A 60 8.538 -13.994 -3.649 1.00 0.00 O ATOM 737 CB SER A 60 11.011 -12.957 -4.924 1.00 0.00 C ATOM 738 OG SER A 60 10.567 -13.523 -6.152 1.00 0.00 O ATOM 0 H SER A 60 11.293 -11.108 -3.200 1.00 0.00 H new ATOM 0 HA SER A 60 9.635 -11.278 -5.018 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.902 -12.351 -5.087 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.285 -13.744 -4.222 1.00 0.00 H new ATOM 0 HG SER A 60 11.281 -14.075 -6.535 1.00 0.00 H new ATOM 744 N GLY A 61 7.548 -12.284 -4.758 1.00 0.00 N ATOM 745 CA GLY A 61 6.200 -12.869 -4.905 1.00 0.00 C ATOM 746 C GLY A 61 5.365 -12.992 -3.617 1.00 0.00 C ATOM 747 O GLY A 61 4.155 -13.170 -3.731 1.00 0.00 O ATOM 0 H GLY A 61 7.603 -11.323 -5.096 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.641 -12.264 -5.619 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.304 -13.862 -5.341 1.00 0.00 H new ATOM 751 N LYS A 62 5.967 -12.754 -2.455 1.00 0.00 N ATOM 752 CA LYS A 62 5.300 -12.880 -1.136 1.00 0.00 C ATOM 753 C LYS A 62 3.942 -12.171 -1.019 1.00 0.00 C ATOM 754 O LYS A 62 2.958 -12.768 -0.600 1.00 0.00 O ATOM 755 CB LYS A 62 6.200 -12.364 -0.034 1.00 0.00 C ATOM 756 CG LYS A 62 7.115 -13.486 0.475 1.00 0.00 C ATOM 757 CD LYS A 62 7.755 -12.998 1.762 1.00 0.00 C ATOM 758 CE LYS A 62 8.825 -13.960 2.261 1.00 0.00 C ATOM 759 NZ LYS A 62 9.436 -13.344 3.443 1.00 0.00 N ATOM 0 H LYS A 62 6.943 -12.464 -2.388 1.00 0.00 H new ATOM 0 HA LYS A 62 5.107 -13.948 -1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.802 -11.535 -0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.596 -11.977 0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.544 -14.397 0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.877 -13.726 -0.266 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.197 -12.015 1.598 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.988 -12.879 2.527 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.388 -14.927 2.512 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.573 -14.139 1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.221 -13.938 3.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.797 -12.401 3.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.724 -13.255 4.196 1.00 0.00 H new ATOM 773 N ILE A 63 3.987 -10.863 -1.245 1.00 0.00 N ATOM 774 CA ILE A 63 2.794 -10.006 -1.161 1.00 0.00 C ATOM 775 C ILE A 63 2.410 -9.316 -2.479 1.00 0.00 C ATOM 776 O ILE A 63 3.254 -8.832 -3.234 1.00 0.00 O ATOM 777 CB ILE A 63 2.839 -8.991 0.001 1.00 0.00 C ATOM 778 CG1 ILE A 63 4.216 -8.357 0.254 1.00 0.00 C ATOM 779 CG2 ILE A 63 2.303 -9.614 1.288 1.00 0.00 C ATOM 780 CD1 ILE A 63 4.592 -7.318 -0.807 1.00 0.00 C ATOM 0 H ILE A 63 4.841 -10.363 -1.490 1.00 0.00 H new ATOM 0 HA ILE A 63 1.996 -10.715 -0.942 1.00 0.00 H new ATOM 0 HB ILE A 63 2.193 -8.173 -0.318 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.219 -7.885 1.236 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.974 -9.140 0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.345 -8.880 2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.270 -9.929 1.137 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.911 -10.479 1.554 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.574 -6.903 -0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.618 -7.793 -1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.852 -6.518 -0.811 1.00 0.00 H new ATOM 792 N ALA A 64 1.106 -9.338 -2.698 1.00 0.00 N ATOM 793 CA ALA A 64 0.459 -8.649 -3.830 1.00 0.00 C ATOM 794 C ALA A 64 0.290 -7.156 -3.493 1.00 0.00 C ATOM 795 O ALA A 64 -0.406 -6.782 -2.544 1.00 0.00 O ATOM 796 CB ALA A 64 -0.891 -9.293 -4.135 1.00 0.00 C ATOM 0 H ALA A 64 0.450 -9.836 -2.096 1.00 0.00 H new ATOM 0 HA ALA A 64 1.085 -8.740 -4.717 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.360 -8.776 -4.972 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.744 -10.342 -4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.535 -9.221 -3.258 1.00 0.00 H new ATOM 802 N VAL A 65 1.152 -6.381 -4.127 1.00 0.00 N ATOM 803 CA VAL A 65 1.244 -4.925 -3.914 1.00 0.00 C ATOM 804 C VAL A 65 0.182 -4.090 -4.643 1.00 0.00 C ATOM 805 O VAL A 65 0.137 -4.006 -5.872 1.00 0.00 O ATOM 806 CB VAL A 65 2.669 -4.432 -4.191 1.00 0.00 C ATOM 807 CG1 VAL A 65 3.584 -4.841 -3.039 1.00 0.00 C ATOM 808 CG2 VAL A 65 3.245 -4.834 -5.552 1.00 0.00 C ATOM 0 H VAL A 65 1.819 -6.736 -4.812 1.00 0.00 H new ATOM 0 HA VAL A 65 1.013 -4.764 -2.861 1.00 0.00 H new ATOM 0 HB VAL A 65 2.611 -3.345 -4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.597 -4.490 -3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.221 -4.398 -2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.588 -5.927 -2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.255 -4.437 -5.651 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.273 -5.921 -5.629 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.617 -4.430 -6.346 1.00 0.00 H new ATOM 818 N TYR A 66 -0.672 -3.495 -3.829 1.00 0.00 N ATOM 819 CA TYR A 66 -1.779 -2.639 -4.281 1.00 0.00 C ATOM 820 C TYR A 66 -1.622 -1.192 -3.778 1.00 0.00 C ATOM 821 O TYR A 66 -1.242 -0.950 -2.636 1.00 0.00 O ATOM 822 CB TYR A 66 -3.101 -3.214 -3.762 1.00 0.00 C ATOM 823 CG TYR A 66 -3.327 -4.642 -4.237 1.00 0.00 C ATOM 824 CD1 TYR A 66 -3.541 -4.928 -5.608 1.00 0.00 C ATOM 825 CD2 TYR A 66 -3.345 -5.672 -3.273 1.00 0.00 C ATOM 826 CE1 TYR A 66 -3.787 -6.261 -6.005 1.00 0.00 C ATOM 827 CE2 TYR A 66 -3.604 -6.999 -3.670 1.00 0.00 C ATOM 828 CZ TYR A 66 -3.828 -7.273 -5.035 1.00 0.00 C ATOM 829 OH TYR A 66 -4.160 -8.538 -5.402 1.00 0.00 O ATOM 0 H TYR A 66 -0.623 -3.589 -2.814 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.770 -2.619 -5.371 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.104 -3.190 -2.672 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.926 -2.586 -4.097 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.516 -4.136 -6.341 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.161 -5.444 -2.234 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.942 -6.499 -7.047 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.631 -7.794 -2.940 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.856 -8.880 -4.803 1.00 0.00 H new ATOM 839 N LYS A 67 -1.994 -0.260 -4.636 1.00 0.00 N ATOM 840 CA LYS A 67 -1.893 1.181 -4.360 1.00 0.00 C ATOM 841 C LYS A 67 -3.220 1.905 -4.589 1.00 0.00 C ATOM 842 O LYS A 67 -3.787 1.889 -5.673 1.00 0.00 O ATOM 843 CB LYS A 67 -0.739 1.865 -5.102 1.00 0.00 C ATOM 844 CG LYS A 67 -0.659 1.667 -6.633 1.00 0.00 C ATOM 845 CD LYS A 67 -0.254 0.254 -7.090 1.00 0.00 C ATOM 846 CE LYS A 67 1.100 -0.193 -6.516 1.00 0.00 C ATOM 847 NZ LYS A 67 1.422 -1.513 -7.041 1.00 0.00 N ATOM 0 H LYS A 67 -2.380 -0.473 -5.556 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.656 1.259 -3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -0.799 2.935 -4.904 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.196 1.512 -4.668 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.630 1.907 -7.066 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.057 2.382 -7.039 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.024 -0.455 -6.787 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.208 0.229 -8.179 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.878 0.521 -6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.057 -0.220 -5.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.445 -1.576 -7.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.145 -2.239 -6.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.906 -1.668 -7.931 1.00 0.00 H new ATOM 861 N LEU A 68 -3.740 2.364 -3.455 1.00 0.00 N ATOM 862 CA LEU A 68 -5.051 3.038 -3.402 1.00 0.00 C ATOM 863 C LEU A 68 -4.932 4.557 -3.279 1.00 0.00 C ATOM 864 O LEU A 68 -4.340 5.108 -2.337 1.00 0.00 O ATOM 865 CB LEU A 68 -5.859 2.445 -2.241 1.00 0.00 C ATOM 866 CG LEU A 68 -7.282 3.021 -2.211 1.00 0.00 C ATOM 867 CD1 LEU A 68 -8.184 2.323 -3.209 1.00 0.00 C ATOM 868 CD2 LEU A 68 -7.923 2.811 -0.854 1.00 0.00 C ATOM 0 H LEU A 68 -3.277 2.285 -2.550 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.568 2.861 -4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.904 1.361 -2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.357 2.658 -1.297 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.183 4.080 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.183 2.756 -3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.782 2.450 -4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.237 1.261 -2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.930 3.228 -0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.973 1.744 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.328 3.310 -0.089 1.00 0.00 H new ATOM 880 N ASN A 69 -5.647 5.196 -4.200 1.00 0.00 N ATOM 881 CA ASN A 69 -5.879 6.650 -4.177 1.00 0.00 C ATOM 882 C ASN A 69 -6.997 6.815 -3.139 1.00 0.00 C ATOM 883 O ASN A 69 -8.159 6.534 -3.399 1.00 0.00 O ATOM 884 CB ASN A 69 -6.307 7.095 -5.590 1.00 0.00 C ATOM 885 CG ASN A 69 -5.252 6.874 -6.695 1.00 0.00 C ATOM 886 OD1 ASN A 69 -4.325 6.080 -6.602 1.00 0.00 O ATOM 887 ND2 ASN A 69 -5.447 7.500 -7.821 1.00 0.00 N ATOM 0 H ASN A 69 -6.087 4.724 -4.990 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.011 7.255 -3.916 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.215 6.557 -5.864 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.561 8.155 -5.559 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.830 7.326 -8.615 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.217 8.164 -7.909 1.00 0.00 H new ATOM 894 N THR A 70 -6.540 6.984 -1.900 1.00 0.00 N ATOM 895 CA THR A 70 -7.450 6.991 -0.714 1.00 0.00 C ATOM 896 C THR A 70 -8.718 7.833 -0.868 1.00 0.00 C ATOM 897 O THR A 70 -9.829 7.299 -0.836 1.00 0.00 O ATOM 898 CB THR A 70 -6.694 7.335 0.588 1.00 0.00 C ATOM 899 OG1 THR A 70 -7.606 7.195 1.688 1.00 0.00 O ATOM 900 CG2 THR A 70 -6.079 8.735 0.664 1.00 0.00 C ATOM 0 H THR A 70 -5.555 7.119 -1.673 1.00 0.00 H new ATOM 0 HA THR A 70 -7.810 5.964 -0.646 1.00 0.00 H new ATOM 0 HB THR A 70 -5.852 6.643 0.620 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.144 7.408 2.525 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.576 8.860 1.623 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.358 8.860 -0.144 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.865 9.484 0.567 1.00 0.00 H new ATOM 908 N ASP A 71 -8.478 9.004 -1.425 1.00 0.00 N ATOM 909 CA ASP A 71 -9.524 9.985 -1.779 1.00 0.00 C ATOM 910 C ASP A 71 -10.474 9.513 -2.892 1.00 0.00 C ATOM 911 O ASP A 71 -11.647 9.884 -2.894 1.00 0.00 O ATOM 912 CB ASP A 71 -8.914 11.334 -2.133 1.00 0.00 C ATOM 913 CG ASP A 71 -8.343 12.000 -0.875 1.00 0.00 C ATOM 914 OD1 ASP A 71 -7.155 11.735 -0.598 1.00 0.00 O ATOM 915 OD2 ASP A 71 -9.101 12.760 -0.227 1.00 0.00 O ATOM 0 H ASP A 71 -7.536 9.321 -1.655 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.137 10.091 -0.884 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.126 11.202 -2.874 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -9.670 11.977 -2.583 1.00 0.00 H new ATOM 921 N GLU A 72 -9.990 8.635 -3.769 1.00 0.00 N ATOM 922 CA GLU A 72 -10.799 8.043 -4.860 1.00 0.00 C ATOM 923 C GLU A 72 -11.713 6.918 -4.337 1.00 0.00 C ATOM 924 O GLU A 72 -12.744 6.619 -4.942 1.00 0.00 O ATOM 925 CB GLU A 72 -9.858 7.524 -5.943 1.00 0.00 C ATOM 926 CG GLU A 72 -10.543 7.290 -7.297 1.00 0.00 C ATOM 927 CD GLU A 72 -9.547 6.790 -8.349 1.00 0.00 C ATOM 928 OE1 GLU A 72 -8.436 7.362 -8.425 1.00 0.00 O ATOM 929 OE2 GLU A 72 -9.929 5.888 -9.126 1.00 0.00 O ATOM 0 H GLU A 72 -9.025 8.306 -3.752 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.451 8.810 -5.279 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.044 8.236 -6.076 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.411 6.589 -5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.346 6.562 -7.179 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.001 8.218 -7.640 1.00 0.00 H new ATOM 937 N ALA A 73 -11.318 6.307 -3.219 1.00 0.00 N ATOM 938 CA ALA A 73 -12.135 5.280 -2.551 1.00 0.00 C ATOM 939 C ALA A 73 -12.403 5.665 -1.081 1.00 0.00 C ATOM 940 O ALA A 73 -11.850 5.044 -0.163 1.00 0.00 O ATOM 941 CB ALA A 73 -11.450 3.912 -2.714 1.00 0.00 C ATOM 0 H ALA A 73 -10.433 6.504 -2.751 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.117 5.211 -3.018 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.048 3.145 -2.222 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.357 3.676 -3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.459 3.945 -2.261 1.00 0.00 H new ATOM 947 N PRO A 74 -13.357 6.595 -0.846 1.00 0.00 N ATOM 948 CA PRO A 74 -13.683 7.076 0.506 1.00 0.00 C ATOM 949 C PRO A 74 -14.103 5.936 1.447 1.00 0.00 C ATOM 950 O PRO A 74 -13.450 5.757 2.475 1.00 0.00 O ATOM 951 CB PRO A 74 -14.794 8.121 0.355 1.00 0.00 C ATOM 952 CG PRO A 74 -15.226 8.112 -1.103 1.00 0.00 C ATOM 953 CD PRO A 74 -14.251 7.194 -1.857 1.00 0.00 C ATOM 0 HA PRO A 74 -12.799 7.516 0.967 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.635 7.885 1.007 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.435 9.109 0.644 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -16.249 7.749 -1.199 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -15.205 9.120 -1.517 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -14.792 6.420 -2.401 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -13.678 7.759 -2.592 1.00 0.00 H new ATOM 961 N GLY A 75 -14.859 4.991 0.899 1.00 0.00 N ATOM 962 CA GLY A 75 -15.389 3.791 1.577 1.00 0.00 C ATOM 963 C GLY A 75 -14.306 2.898 2.183 1.00 0.00 C ATOM 964 O GLY A 75 -14.402 2.487 3.335 1.00 0.00 O ATOM 0 H GLY A 75 -15.139 5.034 -0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.073 4.103 2.366 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.970 3.208 0.863 1.00 0.00 H new ATOM 968 N ILE A 76 -13.232 2.669 1.425 1.00 0.00 N ATOM 969 CA ILE A 76 -12.078 1.902 1.927 1.00 0.00 C ATOM 970 C ILE A 76 -11.371 2.666 3.063 1.00 0.00 C ATOM 971 O ILE A 76 -11.294 2.176 4.186 1.00 0.00 O ATOM 972 CB ILE A 76 -11.157 1.533 0.758 1.00 0.00 C ATOM 973 CG1 ILE A 76 -11.875 0.724 -0.334 1.00 0.00 C ATOM 974 CG2 ILE A 76 -9.906 0.793 1.227 1.00 0.00 C ATOM 975 CD1 ILE A 76 -12.634 -0.505 0.183 1.00 0.00 C ATOM 0 H ILE A 76 -13.132 3.000 0.465 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.412 0.964 2.369 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.851 2.481 0.316 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.577 1.378 -0.851 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.140 0.399 -1.070 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.282 0.551 0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.345 1.426 1.915 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.196 -0.127 1.735 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.110 -1.017 -0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.936 -1.184 0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.395 -0.189 0.896 1.00 0.00 H new ATOM 987 N ALA A 77 -11.109 3.944 2.794 1.00 0.00 N ATOM 988 CA ALA A 77 -10.534 4.846 3.799 1.00 0.00 C ATOM 989 C ALA A 77 -11.340 4.896 5.110 1.00 0.00 C ATOM 990 O ALA A 77 -10.757 4.666 6.170 1.00 0.00 O ATOM 991 CB ALA A 77 -10.394 6.249 3.197 1.00 0.00 C ATOM 0 H ALA A 77 -11.285 4.381 1.889 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.555 4.450 4.068 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.967 6.923 3.940 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.740 6.208 2.326 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.375 6.615 2.896 1.00 0.00 H new ATOM 997 N THR A 78 -12.668 4.926 4.973 1.00 0.00 N ATOM 998 CA THR A 78 -13.622 4.866 6.099 1.00 0.00 C ATOM 999 C THR A 78 -13.388 3.598 6.938 1.00 0.00 C ATOM 1000 O THR A 78 -12.873 3.671 8.047 1.00 0.00 O ATOM 1001 CB THR A 78 -15.025 4.774 5.488 1.00 0.00 C ATOM 1002 OG1 THR A 78 -15.282 5.918 4.662 1.00 0.00 O ATOM 1003 CG2 THR A 78 -16.183 4.652 6.481 1.00 0.00 C ATOM 0 H THR A 78 -13.125 4.994 4.064 1.00 0.00 H new ATOM 0 HA THR A 78 -13.500 5.741 6.737 1.00 0.00 H new ATOM 0 HB THR A 78 -15.000 3.842 4.923 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.685 5.901 3.885 1.00 0.00 H new ATOM 0 HG21 THR A 78 -17.125 4.594 5.936 1.00 0.00 H new ATOM 0 HG22 THR A 78 -16.055 3.751 7.080 1.00 0.00 H new ATOM 0 HG23 THR A 78 -16.195 5.524 7.135 1.00 0.00 H new ATOM 1011 N GLN A 79 -13.594 2.463 6.283 1.00 0.00 N ATOM 1012 CA GLN A 79 -13.553 1.124 6.896 1.00 0.00 C ATOM 1013 C GLN A 79 -12.282 0.858 7.724 1.00 0.00 C ATOM 1014 O GLN A 79 -12.353 0.400 8.868 1.00 0.00 O ATOM 1015 CB GLN A 79 -13.631 0.068 5.784 1.00 0.00 C ATOM 1016 CG GLN A 79 -13.878 -1.351 6.297 1.00 0.00 C ATOM 1017 CD GLN A 79 -15.238 -1.480 6.992 1.00 0.00 C ATOM 1018 OE1 GLN A 79 -16.270 -1.693 6.383 1.00 0.00 O ATOM 1019 NE2 GLN A 79 -15.248 -1.317 8.297 1.00 0.00 N ATOM 0 H GLN A 79 -13.800 2.438 5.284 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.400 1.069 7.580 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.430 0.339 5.094 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -12.701 0.082 5.216 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -13.828 -2.052 5.464 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -13.087 -1.628 6.994 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -14.376 -1.139 8.795 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -16.128 -1.369 8.811 1.00 0.00 H new ATOM 1028 N TYR A 80 -11.171 1.247 7.126 1.00 0.00 N ATOM 1029 CA TYR A 80 -9.830 0.985 7.683 1.00 0.00 C ATOM 1030 C TYR A 80 -9.334 2.042 8.675 1.00 0.00 C ATOM 1031 O TYR A 80 -8.355 1.797 9.383 1.00 0.00 O ATOM 1032 CB TYR A 80 -8.895 0.753 6.489 1.00 0.00 C ATOM 1033 CG TYR A 80 -9.283 -0.535 5.751 1.00 0.00 C ATOM 1034 CD1 TYR A 80 -9.315 -1.759 6.477 1.00 0.00 C ATOM 1035 CD2 TYR A 80 -9.989 -0.392 4.548 1.00 0.00 C ATOM 1036 CE1 TYR A 80 -10.131 -2.806 6.017 1.00 0.00 C ATOM 1037 CE2 TYR A 80 -10.810 -1.433 4.082 1.00 0.00 C ATOM 1038 CZ TYR A 80 -10.869 -2.632 4.826 1.00 0.00 C ATOM 1039 OH TYR A 80 -11.565 -3.685 4.327 1.00 0.00 O ATOM 0 H TYR A 80 -11.158 1.754 6.241 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.860 0.096 8.314 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.948 1.601 5.807 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.863 0.686 6.834 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -8.720 -1.881 7.370 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.902 0.521 3.978 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.193 -3.733 6.568 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.384 -1.319 3.174 1.00 0.00 H new ATOM 0 HH TYR A 80 -12.304 -3.356 3.774 1.00 0.00 H new ATOM 1049 N ASN A 81 -10.106 3.124 8.798 1.00 0.00 N ATOM 1050 CA ASN A 81 -9.800 4.278 9.674 1.00 0.00 C ATOM 1051 C ASN A 81 -8.353 4.768 9.554 1.00 0.00 C ATOM 1052 O ASN A 81 -7.736 5.272 10.489 1.00 0.00 O ATOM 1053 CB ASN A 81 -10.188 3.958 11.130 1.00 0.00 C ATOM 1054 CG ASN A 81 -11.708 4.027 11.309 1.00 0.00 C ATOM 1055 OD1 ASN A 81 -12.292 5.063 11.571 1.00 0.00 O ATOM 1056 ND2 ASN A 81 -12.375 2.900 11.195 1.00 0.00 N ATOM 0 H ASN A 81 -10.981 3.233 8.285 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.409 5.114 9.329 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.829 2.964 11.398 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.704 4.664 11.805 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -13.386 2.891 11.326 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.881 2.035 10.975 1.00 0.00 H new ATOM 1063 N ILE A 82 -7.932 4.843 8.293 1.00 0.00 N ATOM 1064 CA ILE A 82 -6.538 5.158 7.900 1.00 0.00 C ATOM 1065 C ILE A 82 -6.182 6.654 7.847 1.00 0.00 C ATOM 1066 O ILE A 82 -5.294 7.078 7.126 1.00 0.00 O ATOM 1067 CB ILE A 82 -6.207 4.405 6.609 1.00 0.00 C ATOM 1068 CG1 ILE A 82 -7.186 4.629 5.450 1.00 0.00 C ATOM 1069 CG2 ILE A 82 -6.098 2.900 6.859 1.00 0.00 C ATOM 1070 CD1 ILE A 82 -7.199 6.088 4.974 1.00 0.00 C ATOM 0 H ILE A 82 -8.549 4.686 7.496 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.891 4.807 8.704 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.250 4.828 6.302 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.915 3.980 4.617 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.190 4.342 5.764 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.862 2.392 5.924 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.308 2.708 7.585 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.046 2.526 7.246 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.907 6.196 4.153 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.497 6.737 5.798 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -6.202 6.368 4.633 1.00 0.00 H new ATOM 1082 N ARG A 83 -6.698 7.316 8.867 1.00 0.00 N ATOM 1083 CA ARG A 83 -6.636 8.775 9.126 1.00 0.00 C ATOM 1084 C ARG A 83 -5.256 9.430 8.958 1.00 0.00 C ATOM 1085 O ARG A 83 -5.161 10.553 8.484 1.00 0.00 O ATOM 1086 CB ARG A 83 -7.177 9.080 10.537 1.00 0.00 C ATOM 1087 CG ARG A 83 -8.606 8.560 10.749 1.00 0.00 C ATOM 1088 CD ARG A 83 -9.604 9.168 9.764 1.00 0.00 C ATOM 1089 NE ARG A 83 -10.776 8.280 9.725 1.00 0.00 N ATOM 1090 CZ ARG A 83 -11.156 7.522 8.693 1.00 0.00 C ATOM 1091 NH1 ARG A 83 -10.549 7.530 7.514 1.00 0.00 N ATOM 1092 NH2 ARG A 83 -12.179 6.694 8.867 1.00 0.00 N ATOM 0 H ARG A 83 -7.213 6.828 9.600 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.258 9.218 8.348 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.517 8.631 11.279 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.158 10.157 10.704 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.613 7.475 10.645 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.923 8.785 11.767 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.892 10.171 10.079 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.159 9.260 8.773 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.353 8.239 10.565 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.745 8.138 7.358 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.886 6.928 6.763 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.651 6.650 9.770 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.493 6.102 8.098 1.00 0.00 H new ATOM 1106 N SER A 84 -4.222 8.618 9.133 1.00 0.00 N ATOM 1107 CA SER A 84 -2.843 9.094 8.999 1.00 0.00 C ATOM 1108 C SER A 84 -2.232 8.594 7.687 1.00 0.00 C ATOM 1109 O SER A 84 -1.624 7.527 7.597 1.00 0.00 O ATOM 1110 CB SER A 84 -2.022 8.699 10.230 1.00 0.00 C ATOM 1111 OG SER A 84 -0.634 8.965 10.015 1.00 0.00 O ATOM 0 H SER A 84 -4.307 7.629 9.367 1.00 0.00 H new ATOM 0 HA SER A 84 -2.836 10.183 8.953 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.373 9.252 11.101 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.166 7.640 10.446 1.00 0.00 H new ATOM 0 HG SER A 84 -0.229 8.217 9.527 1.00 0.00 H new ATOM 1117 N ILE A 85 -2.659 9.256 6.622 1.00 0.00 N ATOM 1118 CA ILE A 85 -2.109 9.042 5.260 1.00 0.00 C ATOM 1119 C ILE A 85 -0.790 9.843 5.212 1.00 0.00 C ATOM 1120 O ILE A 85 -0.834 11.040 5.495 1.00 0.00 O ATOM 1121 CB ILE A 85 -3.139 9.507 4.201 1.00 0.00 C ATOM 1122 CG1 ILE A 85 -4.482 8.792 4.356 1.00 0.00 C ATOM 1123 CG2 ILE A 85 -2.627 9.205 2.801 1.00 0.00 C ATOM 1124 CD1 ILE A 85 -5.564 9.748 4.873 1.00 0.00 C ATOM 0 H ILE A 85 -3.396 9.960 6.661 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.912 7.993 5.039 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.276 10.578 4.351 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.789 8.377 3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.374 7.955 5.045 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.360 9.537 2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.686 9.730 2.637 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.467 8.132 2.696 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.507 9.210 4.973 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.267 10.143 5.845 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.688 10.571 4.170 1.00 0.00 H new ATOM 1136 N PRO A 86 0.338 9.224 4.794 1.00 0.00 N ATOM 1137 CA PRO A 86 0.481 7.847 4.281 1.00 0.00 C ATOM 1138 C PRO A 86 0.351 6.683 5.268 1.00 0.00 C ATOM 1139 O PRO A 86 1.041 6.608 6.282 1.00 0.00 O ATOM 1140 CB PRO A 86 1.844 7.841 3.582 1.00 0.00 C ATOM 1141 CG PRO A 86 2.653 8.856 4.382 1.00 0.00 C ATOM 1142 CD PRO A 86 1.639 9.931 4.737 1.00 0.00 C ATOM 0 HA PRO A 86 -0.373 7.643 3.635 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.303 6.853 3.605 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.760 8.129 2.534 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.088 8.406 5.275 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.477 9.262 3.796 1.00 0.00 H new ATOM 0 HD2 PRO A 86 1.877 10.398 5.693 1.00 0.00 H new ATOM 0 HD3 PRO A 86 1.625 10.724 3.989 1.00 0.00 H new ATOM 1150 N THR A 87 -0.433 5.710 4.817 1.00 0.00 N ATOM 1151 CA THR A 87 -0.726 4.470 5.566 1.00 0.00 C ATOM 1152 C THR A 87 -0.450 3.256 4.674 1.00 0.00 C ATOM 1153 O THR A 87 -0.699 3.280 3.475 1.00 0.00 O ATOM 1154 CB THR A 87 -2.208 4.379 5.965 1.00 0.00 C ATOM 1155 OG1 THR A 87 -2.756 5.692 6.140 1.00 0.00 O ATOM 1156 CG2 THR A 87 -2.382 3.577 7.247 1.00 0.00 C ATOM 0 H THR A 87 -0.895 5.751 3.908 1.00 0.00 H new ATOM 0 HA THR A 87 -0.098 4.484 6.457 1.00 0.00 H new ATOM 0 HB THR A 87 -2.740 3.869 5.162 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.399 6.089 6.962 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.440 3.529 7.505 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.998 2.567 7.100 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.833 4.059 8.055 1.00 0.00 H new ATOM 1164 N VAL A 88 0.097 2.209 5.283 1.00 0.00 N ATOM 1165 CA VAL A 88 0.304 0.909 4.613 1.00 0.00 C ATOM 1166 C VAL A 88 -0.219 -0.221 5.530 1.00 0.00 C ATOM 1167 O VAL A 88 0.116 -0.277 6.707 1.00 0.00 O ATOM 1168 CB VAL A 88 1.770 0.678 4.179 1.00 0.00 C ATOM 1169 CG1 VAL A 88 1.929 -0.594 3.353 1.00 0.00 C ATOM 1170 CG2 VAL A 88 2.287 1.792 3.267 1.00 0.00 C ATOM 0 H VAL A 88 0.412 2.227 6.253 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.266 0.909 3.684 1.00 0.00 H new ATOM 0 HB VAL A 88 2.323 0.630 5.117 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.975 -0.716 3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.610 -1.453 3.943 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.316 -0.523 2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.320 1.585 2.989 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.673 1.841 2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 88 2.237 2.745 3.793 1.00 0.00 H new ATOM 1180 N LEU A 89 -1.083 -1.042 4.955 1.00 0.00 N ATOM 1181 CA LEU A 89 -1.729 -2.171 5.657 1.00 0.00 C ATOM 1182 C LEU A 89 -1.215 -3.512 5.123 1.00 0.00 C ATOM 1183 O LEU A 89 -1.038 -3.695 3.918 1.00 0.00 O ATOM 1184 CB LEU A 89 -3.248 -2.155 5.470 1.00 0.00 C ATOM 1185 CG LEU A 89 -4.054 -1.149 6.293 1.00 0.00 C ATOM 1186 CD1 LEU A 89 -3.724 0.303 5.962 1.00 0.00 C ATOM 1187 CD2 LEU A 89 -5.528 -1.386 5.977 1.00 0.00 C ATOM 0 H LEU A 89 -1.367 -0.954 3.979 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.483 -2.058 6.713 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.454 -1.968 4.416 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.625 -3.152 5.697 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.811 -1.301 7.345 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.331 0.964 6.581 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.668 0.490 6.158 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.937 0.494 4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.139 -0.686 6.546 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.700 -1.235 4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.799 -2.407 6.247 1.00 0.00 H new ATOM 1199 N PHE A 90 -1.146 -4.467 6.050 1.00 0.00 N ATOM 1200 CA PHE A 90 -0.578 -5.805 5.829 1.00 0.00 C ATOM 1201 C PHE A 90 -1.614 -6.875 6.185 1.00 0.00 C ATOM 1202 O PHE A 90 -2.178 -6.925 7.277 1.00 0.00 O ATOM 1203 CB PHE A 90 0.707 -5.982 6.643 1.00 0.00 C ATOM 1204 CG PHE A 90 1.723 -4.869 6.427 1.00 0.00 C ATOM 1205 CD1 PHE A 90 1.607 -3.659 7.142 1.00 0.00 C ATOM 1206 CD2 PHE A 90 2.645 -5.006 5.357 1.00 0.00 C ATOM 1207 CE1 PHE A 90 2.376 -2.547 6.760 1.00 0.00 C ATOM 1208 CE2 PHE A 90 3.427 -3.901 4.992 1.00 0.00 C ATOM 1209 CZ PHE A 90 3.277 -2.679 5.679 1.00 0.00 C ATOM 0 H PHE A 90 -1.491 -4.332 7.000 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.320 -5.915 4.776 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.453 -6.030 7.702 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.165 -6.936 6.381 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.930 -3.587 7.980 1.00 0.00 H new ATOM 0 HD2 PHE A 90 2.743 -5.945 4.833 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.280 -1.607 7.283 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.142 -3.986 4.187 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.863 -1.825 5.373 1.00 0.00 H new ATOM 1219 N PHE A 91 -1.978 -7.523 5.094 1.00 0.00 N ATOM 1220 CA PHE A 91 -3.001 -8.584 5.005 1.00 0.00 C ATOM 1221 C PHE A 91 -2.360 -9.916 4.624 1.00 0.00 C ATOM 1222 O PHE A 91 -1.404 -10.009 3.845 1.00 0.00 O ATOM 1223 CB PHE A 91 -4.042 -8.235 3.942 1.00 0.00 C ATOM 1224 CG PHE A 91 -4.891 -7.011 4.247 1.00 0.00 C ATOM 1225 CD1 PHE A 91 -4.371 -5.725 3.982 1.00 0.00 C ATOM 1226 CD2 PHE A 91 -6.264 -7.206 4.517 1.00 0.00 C ATOM 1227 CE1 PHE A 91 -5.240 -4.621 3.982 1.00 0.00 C ATOM 1228 CE2 PHE A 91 -7.130 -6.094 4.505 1.00 0.00 C ATOM 1229 CZ PHE A 91 -6.613 -4.815 4.235 1.00 0.00 C ATOM 0 H PHE A 91 -1.553 -7.323 4.189 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.477 -8.666 5.982 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.530 -8.075 2.993 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.702 -9.092 3.808 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.318 -5.592 3.782 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.645 -8.194 4.730 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.858 -3.629 3.789 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.184 -6.224 4.702 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.280 -3.966 4.221 1.00 0.00 H new ATOM 1239 N LYS A 92 -3.001 -10.946 5.138 1.00 0.00 N ATOM 1240 CA LYS A 92 -2.736 -12.342 4.765 1.00 0.00 C ATOM 1241 C LYS A 92 -4.024 -12.933 4.168 1.00 0.00 C ATOM 1242 O LYS A 92 -4.829 -13.595 4.819 1.00 0.00 O ATOM 1243 CB LYS A 92 -2.200 -13.144 5.943 1.00 0.00 C ATOM 1244 CG LYS A 92 -1.581 -14.438 5.430 1.00 0.00 C ATOM 1245 CD LYS A 92 -0.709 -15.015 6.540 1.00 0.00 C ATOM 1246 CE LYS A 92 0.562 -15.589 5.912 1.00 0.00 C ATOM 1247 NZ LYS A 92 1.439 -16.121 6.966 1.00 0.00 N ATOM 0 H LYS A 92 -3.735 -10.847 5.839 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.950 -12.388 4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.456 -12.561 6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.005 -13.365 6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.359 -15.148 5.149 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -0.985 -14.248 4.537 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.457 -14.241 7.264 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.249 -15.793 7.080 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.306 -16.379 5.206 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.083 -14.815 5.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.302 -16.510 6.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.694 -15.357 7.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.942 -16.872 7.485 1.00 0.00 H new ATOM 1261 N ASN A 93 -4.307 -12.296 3.041 1.00 0.00 N ATOM 1262 CA ASN A 93 -5.489 -12.482 2.183 1.00 0.00 C ATOM 1263 C ASN A 93 -6.792 -12.194 2.956 1.00 0.00 C ATOM 1264 O ASN A 93 -7.414 -13.075 3.545 1.00 0.00 O ATOM 1265 CB ASN A 93 -5.478 -13.862 1.529 1.00 0.00 C ATOM 1266 CG ASN A 93 -6.512 -13.924 0.411 1.00 0.00 C ATOM 1267 OD1 ASN A 93 -6.332 -13.391 -0.682 1.00 0.00 O ATOM 1268 ND2 ASN A 93 -7.670 -14.423 0.738 1.00 0.00 N ATOM 0 H ASN A 93 -3.679 -11.584 2.668 1.00 0.00 H new ATOM 0 HA ASN A 93 -5.446 -11.753 1.374 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -4.487 -14.075 1.129 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.692 -14.627 2.275 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -8.449 -14.376 0.082 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -7.797 -14.861 1.650 1.00 0.00 H new ATOM 1275 N GLY A 94 -7.103 -10.905 2.972 1.00 0.00 N ATOM 1276 CA GLY A 94 -8.267 -10.350 3.699 1.00 0.00 C ATOM 1277 C GLY A 94 -8.198 -10.413 5.235 1.00 0.00 C ATOM 1278 O GLY A 94 -9.024 -9.811 5.911 1.00 0.00 O ATOM 0 H GLY A 94 -6.557 -10.198 2.480 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.391 -9.308 3.404 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.161 -10.882 3.373 1.00 0.00 H new ATOM 1282 N GLU A 95 -7.064 -10.890 5.729 1.00 0.00 N ATOM 1283 CA GLU A 95 -6.805 -11.085 7.160 1.00 0.00 C ATOM 1284 C GLU A 95 -5.816 -9.994 7.543 1.00 0.00 C ATOM 1285 O GLU A 95 -4.673 -9.991 7.112 1.00 0.00 O ATOM 1286 CB GLU A 95 -6.157 -12.449 7.390 1.00 0.00 C ATOM 1287 CG GLU A 95 -7.112 -13.620 7.166 1.00 0.00 C ATOM 1288 CD GLU A 95 -6.419 -14.988 7.246 1.00 0.00 C ATOM 1289 OE1 GLU A 95 -6.896 -15.896 6.525 1.00 0.00 O ATOM 1290 OE2 GLU A 95 -5.499 -15.138 8.083 1.00 0.00 O ATOM 0 H GLU A 95 -6.278 -11.160 5.138 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.723 -11.041 7.746 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.302 -12.554 6.722 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.773 -12.493 8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.908 -13.579 7.909 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.583 -13.515 6.189 1.00 0.00 H new ATOM 1298 N ARG A 96 -6.361 -9.025 8.260 1.00 0.00 N ATOM 1299 CA ARG A 96 -5.649 -7.794 8.586 1.00 0.00 C ATOM 1300 C ARG A 96 -4.832 -7.983 9.871 1.00 0.00 C ATOM 1301 O ARG A 96 -5.354 -8.327 10.930 1.00 0.00 O ATOM 1302 CB ARG A 96 -6.681 -6.672 8.763 1.00 0.00 C ATOM 1303 CG ARG A 96 -6.039 -5.300 8.694 1.00 0.00 C ATOM 1304 CD ARG A 96 -7.084 -4.226 9.002 1.00 0.00 C ATOM 1305 NE ARG A 96 -6.513 -2.875 8.879 1.00 0.00 N ATOM 1306 CZ ARG A 96 -7.038 -1.739 9.336 1.00 0.00 C ATOM 1307 NH1 ARG A 96 -8.000 -1.730 10.250 1.00 0.00 N ATOM 1308 NH2 ARG A 96 -6.458 -0.582 9.080 1.00 0.00 N ATOM 0 H ARG A 96 -7.309 -9.067 8.634 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.958 -7.535 7.784 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.445 -6.755 7.990 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.185 -6.790 9.722 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.217 -5.236 9.407 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.615 -5.135 7.703 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -7.928 -4.330 8.320 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.470 -4.370 10.011 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.620 -2.801 8.392 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -8.358 -2.610 10.623 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -8.382 -0.844 10.580 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.601 -0.552 8.528 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.867 0.283 9.434 1.00 0.00 H new ATOM 1322 N LYS A 97 -3.537 -7.842 9.655 1.00 0.00 N ATOM 1323 CA LYS A 97 -2.498 -8.161 10.650 1.00 0.00 C ATOM 1324 C LYS A 97 -1.940 -6.871 11.281 1.00 0.00 C ATOM 1325 O LYS A 97 -2.064 -6.653 12.483 1.00 0.00 O ATOM 1326 CB LYS A 97 -1.352 -8.933 9.979 1.00 0.00 C ATOM 1327 CG LYS A 97 -1.754 -9.846 8.814 1.00 0.00 C ATOM 1328 CD LYS A 97 -2.546 -11.102 9.167 1.00 0.00 C ATOM 1329 CE LYS A 97 -1.749 -12.263 9.800 1.00 0.00 C ATOM 1330 NZ LYS A 97 -1.333 -11.989 11.180 1.00 0.00 N ATOM 0 H LYS A 97 -3.159 -7.498 8.772 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.947 -8.774 11.432 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.618 -8.213 9.615 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.855 -9.539 10.736 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.344 -9.259 8.110 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.847 -10.152 8.293 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.343 -10.821 9.855 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.023 -11.471 8.259 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.359 -13.166 9.783 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.866 -12.463 9.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.327 -12.876 11.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.378 -11.577 11.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.998 -11.320 11.617 1.00 0.00 H new ATOM 1344 N GLU A 98 -1.372 -6.030 10.424 1.00 0.00 N ATOM 1345 CA GLU A 98 -0.670 -4.802 10.825 1.00 0.00 C ATOM 1346 C GLU A 98 -1.080 -3.603 9.946 1.00 0.00 C ATOM 1347 O GLU A 98 -1.201 -3.727 8.727 1.00 0.00 O ATOM 1348 CB GLU A 98 0.831 -5.109 10.696 1.00 0.00 C ATOM 1349 CG GLU A 98 1.775 -3.998 11.160 1.00 0.00 C ATOM 1350 CD GLU A 98 1.635 -3.656 12.649 1.00 0.00 C ATOM 1351 OE1 GLU A 98 0.883 -2.705 12.934 1.00 0.00 O ATOM 1352 OE2 GLU A 98 2.311 -4.330 13.452 1.00 0.00 O ATOM 0 H GLU A 98 -1.383 -6.178 9.415 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.927 -4.518 11.846 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.050 -6.010 11.269 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.049 -5.334 9.652 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.803 -4.299 10.960 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.585 -3.101 10.570 1.00 0.00 H new ATOM 1360 N SER A 99 -1.205 -2.449 10.602 1.00 0.00 N ATOM 1361 CA SER A 99 -1.562 -1.180 9.940 1.00 0.00 C ATOM 1362 C SER A 99 -0.593 -0.063 10.336 1.00 0.00 C ATOM 1363 O SER A 99 -0.706 0.552 11.401 1.00 0.00 O ATOM 1364 CB SER A 99 -3.004 -0.786 10.281 1.00 0.00 C ATOM 1365 OG SER A 99 -3.875 -1.819 9.815 1.00 0.00 O ATOM 0 H SER A 99 -1.063 -2.361 11.608 1.00 0.00 H new ATOM 0 HA SER A 99 -1.486 -1.326 8.863 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.116 -0.652 11.357 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.258 0.165 9.813 1.00 0.00 H new ATOM 0 HG SER A 99 -4.583 -1.972 10.475 1.00 0.00 H new ATOM 1371 N ILE A 100 0.364 0.183 9.448 1.00 0.00 N ATOM 1372 CA ILE A 100 1.407 1.200 9.645 1.00 0.00 C ATOM 1373 C ILE A 100 0.871 2.557 9.185 1.00 0.00 C ATOM 1374 O ILE A 100 0.819 2.874 7.994 1.00 0.00 O ATOM 1375 CB ILE A 100 2.717 0.790 8.949 1.00 0.00 C ATOM 1376 CG1 ILE A 100 3.273 -0.539 9.496 1.00 0.00 C ATOM 1377 CG2 ILE A 100 3.795 1.887 8.999 1.00 0.00 C ATOM 1378 CD1 ILE A 100 3.419 -0.621 11.015 1.00 0.00 C ATOM 0 H ILE A 100 0.444 -0.318 8.563 1.00 0.00 H new ATOM 0 HA ILE A 100 1.656 1.285 10.703 1.00 0.00 H new ATOM 0 HB ILE A 100 2.455 0.644 7.901 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.620 -1.347 9.168 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.250 -0.716 9.045 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.694 1.537 8.492 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.424 2.784 8.503 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.031 2.118 10.038 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.818 -1.597 11.290 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.099 0.159 11.358 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.444 -0.483 11.482 1.00 0.00 H new ATOM 1390 N ILE A 101 0.454 3.288 10.203 1.00 0.00 N ATOM 1391 CA ILE A 101 -0.136 4.627 10.071 1.00 0.00 C ATOM 1392 C ILE A 101 0.813 5.728 9.559 1.00 0.00 C ATOM 1393 O ILE A 101 0.375 6.688 8.949 1.00 0.00 O ATOM 1394 CB ILE A 101 -0.884 4.919 11.391 1.00 0.00 C ATOM 1395 CG1 ILE A 101 -2.396 4.967 11.148 1.00 0.00 C ATOM 1396 CG2 ILE A 101 -0.406 6.130 12.192 1.00 0.00 C ATOM 1397 CD1 ILE A 101 -3.023 3.559 11.054 1.00 0.00 C ATOM 0 H ILE A 101 0.513 2.969 11.170 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.852 4.638 9.249 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.632 4.079 12.038 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.874 5.521 11.956 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.596 5.513 10.226 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.008 6.230 13.095 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.640 5.995 12.466 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.509 7.030 11.586 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -4.095 3.649 10.881 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -2.567 3.012 10.229 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.849 3.020 11.986 1.00 0.00 H new ATOM 1409 N GLY A 102 2.078 5.661 9.971 1.00 0.00 N ATOM 1410 CA GLY A 102 3.132 6.594 9.524 1.00 0.00 C ATOM 1411 C GLY A 102 4.056 5.877 8.539 1.00 0.00 C ATOM 1412 O GLY A 102 5.161 5.459 8.896 1.00 0.00 O ATOM 0 H GLY A 102 2.411 4.956 10.629 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.684 7.467 9.050 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.703 6.953 10.380 1.00 0.00 H new ATOM 1416 N ALA A 103 3.566 5.754 7.313 1.00 0.00 N ATOM 1417 CA ALA A 103 4.264 4.978 6.270 1.00 0.00 C ATOM 1418 C ALA A 103 5.237 5.829 5.420 1.00 0.00 C ATOM 1419 O ALA A 103 4.917 6.311 4.334 1.00 0.00 O ATOM 1420 CB ALA A 103 3.207 4.278 5.419 1.00 0.00 C ATOM 0 H ALA A 103 2.690 6.177 7.006 1.00 0.00 H new ATOM 0 HA ALA A 103 4.906 4.239 6.749 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.696 3.696 4.638 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.614 3.615 6.049 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.556 5.023 4.962 1.00 0.00 H new ATOM 1426 N VAL A 104 6.393 6.063 6.037 1.00 0.00 N ATOM 1427 CA VAL A 104 7.504 6.788 5.400 1.00 0.00 C ATOM 1428 C VAL A 104 8.821 5.950 5.359 1.00 0.00 C ATOM 1429 O VAL A 104 9.413 5.889 4.286 1.00 0.00 O ATOM 1430 CB VAL A 104 7.665 8.227 5.960 1.00 0.00 C ATOM 1431 CG1 VAL A 104 8.852 8.988 5.354 1.00 0.00 C ATOM 1432 CG2 VAL A 104 6.403 9.065 5.707 1.00 0.00 C ATOM 0 H VAL A 104 6.592 5.759 6.990 1.00 0.00 H new ATOM 0 HA VAL A 104 7.241 6.928 4.351 1.00 0.00 H new ATOM 0 HB VAL A 104 7.841 8.094 7.027 1.00 0.00 H new ATOM 0 HG11 VAL A 104 8.905 9.986 5.790 1.00 0.00 H new ATOM 0 HG12 VAL A 104 9.776 8.450 5.566 1.00 0.00 H new ATOM 0 HG13 VAL A 104 8.719 9.070 4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.545 10.068 6.110 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.217 9.128 4.635 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.550 8.595 6.196 1.00 0.00 H new ATOM 1442 N PRO A 105 9.272 5.291 6.442 1.00 0.00 N ATOM 1443 CA PRO A 105 10.461 4.425 6.386 1.00 0.00 C ATOM 1444 C PRO A 105 10.085 3.077 5.779 1.00 0.00 C ATOM 1445 O PRO A 105 9.283 2.298 6.305 1.00 0.00 O ATOM 1446 CB PRO A 105 10.962 4.237 7.815 1.00 0.00 C ATOM 1447 CG PRO A 105 10.161 5.236 8.645 1.00 0.00 C ATOM 1448 CD PRO A 105 8.860 5.433 7.849 1.00 0.00 C ATOM 0 HA PRO A 105 11.239 4.874 5.768 1.00 0.00 H new ATOM 0 HB2 PRO A 105 10.799 3.216 8.160 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.032 4.431 7.887 1.00 0.00 H new ATOM 0 HG2 PRO A 105 9.961 4.852 9.646 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.700 6.176 8.766 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.110 4.690 8.121 1.00 0.00 H new ATOM 0 HD3 PRO A 105 8.422 6.413 8.039 1.00 0.00 H new ATOM 1456 N LYS A 106 10.705 2.865 4.627 1.00 0.00 N ATOM 1457 CA LYS A 106 10.613 1.620 3.831 1.00 0.00 C ATOM 1458 C LYS A 106 10.847 0.351 4.687 1.00 0.00 C ATOM 1459 O LYS A 106 10.029 -0.556 4.717 1.00 0.00 O ATOM 1460 CB LYS A 106 11.635 1.730 2.709 1.00 0.00 C ATOM 1461 CG LYS A 106 11.476 0.613 1.680 1.00 0.00 C ATOM 1462 CD LYS A 106 12.402 0.928 0.510 1.00 0.00 C ATOM 1463 CE LYS A 106 12.357 -0.175 -0.545 1.00 0.00 C ATOM 1464 NZ LYS A 106 13.465 0.047 -1.484 1.00 0.00 N ATOM 0 H LYS A 106 11.307 3.567 4.196 1.00 0.00 H new ATOM 0 HA LYS A 106 9.605 1.513 3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 106 11.529 2.696 2.215 1.00 0.00 H new ATOM 0 HB3 LYS A 106 12.640 1.696 3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 106 11.729 -0.352 2.120 1.00 0.00 H new ATOM 0 HG3 LYS A 106 10.442 0.548 1.343 1.00 0.00 H new ATOM 0 HD2 LYS A 106 12.112 1.877 0.059 1.00 0.00 H new ATOM 0 HD3 LYS A 106 13.423 1.046 0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 106 12.446 -1.155 -0.076 1.00 0.00 H new ATOM 0 HE3 LYS A 106 11.403 -0.160 -1.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 13.455 -0.694 -2.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 13.357 0.978 -1.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 14.368 0.014 -0.969 1.00 0.00 H new ATOM 1478 N SER A 107 11.885 0.422 5.528 1.00 0.00 N ATOM 1479 CA SER A 107 12.285 -0.659 6.451 1.00 0.00 C ATOM 1480 C SER A 107 11.200 -1.093 7.435 1.00 0.00 C ATOM 1481 O SER A 107 10.948 -2.295 7.591 1.00 0.00 O ATOM 1482 CB SER A 107 13.536 -0.205 7.233 1.00 0.00 C ATOM 1483 OG SER A 107 13.311 1.090 7.788 1.00 0.00 O ATOM 0 H SER A 107 12.485 1.245 5.591 1.00 0.00 H new ATOM 0 HA SER A 107 12.486 -1.533 5.832 1.00 0.00 H new ATOM 0 HB2 SER A 107 13.759 -0.918 8.027 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.402 -0.183 6.572 1.00 0.00 H new ATOM 0 HG SER A 107 14.106 1.375 8.285 1.00 0.00 H new ATOM 1489 N THR A 108 10.543 -0.135 8.074 1.00 0.00 N ATOM 1490 CA THR A 108 9.392 -0.368 8.983 1.00 0.00 C ATOM 1491 C THR A 108 8.261 -1.182 8.340 1.00 0.00 C ATOM 1492 O THR A 108 7.705 -2.106 8.946 1.00 0.00 O ATOM 1493 CB THR A 108 8.896 1.014 9.426 1.00 0.00 C ATOM 1494 OG1 THR A 108 10.022 1.746 9.938 1.00 0.00 O ATOM 1495 CG2 THR A 108 7.750 0.971 10.433 1.00 0.00 C ATOM 0 H THR A 108 10.788 0.851 7.984 1.00 0.00 H new ATOM 0 HA THR A 108 9.718 -0.971 9.831 1.00 0.00 H new ATOM 0 HB THR A 108 8.471 1.516 8.557 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.730 2.636 10.227 1.00 0.00 H new ATOM 0 HG21 THR A 108 7.458 1.988 10.695 1.00 0.00 H new ATOM 0 HG22 THR A 108 6.899 0.451 9.994 1.00 0.00 H new ATOM 0 HG23 THR A 108 8.074 0.444 11.330 1.00 0.00 H new ATOM 1503 N LEU A 109 7.994 -0.844 7.088 1.00 0.00 N ATOM 1504 CA LEU A 109 7.008 -1.557 6.249 1.00 0.00 C ATOM 1505 C LEU A 109 7.458 -3.008 6.028 1.00 0.00 C ATOM 1506 O LEU A 109 6.723 -3.917 6.412 1.00 0.00 O ATOM 1507 CB LEU A 109 6.765 -0.900 4.881 1.00 0.00 C ATOM 1508 CG LEU A 109 6.518 0.609 4.911 1.00 0.00 C ATOM 1509 CD1 LEU A 109 6.257 1.137 3.509 1.00 0.00 C ATOM 1510 CD2 LEU A 109 5.367 1.016 5.841 1.00 0.00 C ATOM 0 H LEU A 109 8.450 -0.066 6.611 1.00 0.00 H new ATOM 0 HA LEU A 109 6.066 -1.516 6.796 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.628 -1.097 4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.907 -1.382 4.413 1.00 0.00 H new ATOM 0 HG LEU A 109 7.427 1.057 5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.084 2.212 3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.121 0.934 2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.379 0.644 3.092 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.245 2.099 5.816 1.00 0.00 H new ATOM 0 HD22 LEU A 109 4.445 0.539 5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.593 0.700 6.859 1.00 0.00 H new ATOM 1522 N THR A 110 8.746 -3.185 5.720 1.00 0.00 N ATOM 1523 CA THR A 110 9.351 -4.510 5.466 1.00 0.00 C ATOM 1524 C THR A 110 9.207 -5.421 6.697 1.00 0.00 C ATOM 1525 O THR A 110 8.751 -6.561 6.639 1.00 0.00 O ATOM 1526 CB THR A 110 10.822 -4.392 5.056 1.00 0.00 C ATOM 1527 OG1 THR A 110 10.921 -3.547 3.925 1.00 0.00 O ATOM 1528 CG2 THR A 110 11.380 -5.770 4.741 1.00 0.00 C ATOM 0 H THR A 110 9.408 -2.413 5.638 1.00 0.00 H new ATOM 0 HA THR A 110 8.810 -4.960 4.634 1.00 0.00 H new ATOM 0 HB THR A 110 11.401 -3.964 5.874 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.771 -2.617 4.197 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.427 -5.681 4.450 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.302 -6.405 5.624 1.00 0.00 H new ATOM 0 HG23 THR A 110 10.812 -6.214 3.923 1.00 0.00 H new ATOM 1536 N ASP A 111 9.634 -4.824 7.800 1.00 0.00 N ATOM 1537 CA ASP A 111 9.542 -5.348 9.167 1.00 0.00 C ATOM 1538 C ASP A 111 8.125 -5.911 9.424 1.00 0.00 C ATOM 1539 O ASP A 111 7.971 -7.117 9.600 1.00 0.00 O ATOM 1540 CB ASP A 111 9.840 -4.125 10.046 1.00 0.00 C ATOM 1541 CG ASP A 111 9.950 -4.396 11.547 1.00 0.00 C ATOM 1542 OD1 ASP A 111 9.114 -5.164 12.078 1.00 0.00 O ATOM 1543 OD2 ASP A 111 10.842 -3.758 12.161 1.00 0.00 O ATOM 0 H ASP A 111 10.081 -3.908 7.770 1.00 0.00 H new ATOM 0 HA ASP A 111 10.229 -6.170 9.368 1.00 0.00 H new ATOM 0 HB2 ASP A 111 10.774 -3.677 9.707 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.055 -3.386 9.886 1.00 0.00 H new ATOM 1549 N SER A 112 7.134 -5.089 9.100 1.00 0.00 N ATOM 1550 CA SER A 112 5.705 -5.414 9.243 1.00 0.00 C ATOM 1551 C SER A 112 5.128 -6.587 8.448 1.00 0.00 C ATOM 1552 O SER A 112 4.168 -7.197 8.919 1.00 0.00 O ATOM 1553 CB SER A 112 4.817 -4.193 9.062 1.00 0.00 C ATOM 1554 OG SER A 112 5.007 -3.288 10.165 1.00 0.00 O ATOM 0 H SER A 112 7.297 -4.156 8.722 1.00 0.00 H new ATOM 0 HA SER A 112 5.692 -5.773 10.272 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.056 -3.693 8.123 1.00 0.00 H new ATOM 0 HB3 SER A 112 3.772 -4.497 9.004 1.00 0.00 H new ATOM 0 HG SER A 112 5.819 -2.759 10.018 1.00 0.00 H new ATOM 1560 N ILE A 113 5.685 -6.891 7.274 1.00 0.00 N ATOM 1561 CA ILE A 113 5.257 -8.128 6.560 1.00 0.00 C ATOM 1562 C ILE A 113 5.913 -9.348 7.206 1.00 0.00 C ATOM 1563 O ILE A 113 5.247 -10.259 7.689 1.00 0.00 O ATOM 1564 CB ILE A 113 5.524 -8.391 5.077 1.00 0.00 C ATOM 1565 CG1 ILE A 113 6.687 -7.632 4.470 1.00 0.00 C ATOM 1566 CG2 ILE A 113 4.233 -8.385 4.275 1.00 0.00 C ATOM 1567 CD1 ILE A 113 6.433 -6.141 4.343 1.00 0.00 C ATOM 0 H ILE A 113 6.401 -6.337 6.803 1.00 0.00 H new ATOM 0 HA ILE A 113 4.183 -7.959 6.642 1.00 0.00 H new ATOM 0 HB ILE A 113 5.910 -9.409 5.015 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.574 -7.791 5.083 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.903 -8.042 3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.456 -8.575 3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.568 -9.162 4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.748 -7.414 4.373 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.306 -5.660 3.901 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.565 -5.973 3.706 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.246 -5.718 5.330 1.00 0.00 H new ATOM 1579 N GLU A 114 7.235 -9.233 7.255 1.00 0.00 N ATOM 1580 CA GLU A 114 8.160 -10.314 7.627 1.00 0.00 C ATOM 1581 C GLU A 114 8.014 -10.784 9.087 1.00 0.00 C ATOM 1582 O GLU A 114 8.600 -11.777 9.514 1.00 0.00 O ATOM 1583 CB GLU A 114 9.582 -9.953 7.230 1.00 0.00 C ATOM 1584 CG GLU A 114 9.587 -9.860 5.703 1.00 0.00 C ATOM 1585 CD GLU A 114 11.007 -9.735 5.130 1.00 0.00 C ATOM 1586 OE1 GLU A 114 11.642 -8.697 5.431 1.00 0.00 O ATOM 1587 OE2 GLU A 114 11.406 -10.648 4.389 1.00 0.00 O ATOM 0 H GLU A 114 7.714 -8.361 7.031 1.00 0.00 H new ATOM 0 HA GLU A 114 7.880 -11.197 7.053 1.00 0.00 H new ATOM 0 HB2 GLU A 114 9.883 -9.006 7.679 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.287 -10.709 7.576 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.106 -10.745 5.286 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.995 -8.999 5.392 1.00 0.00 H new ATOM 1595 N LYS A 115 7.365 -9.914 9.846 1.00 0.00 N ATOM 1596 CA LYS A 115 6.767 -10.147 11.174 1.00 0.00 C ATOM 1597 C LYS A 115 5.964 -11.465 11.213 1.00 0.00 C ATOM 1598 O LYS A 115 6.257 -12.347 12.002 1.00 0.00 O ATOM 1599 CB LYS A 115 5.879 -8.908 11.317 1.00 0.00 C ATOM 1600 CG LYS A 115 5.085 -8.849 12.628 1.00 0.00 C ATOM 1601 CD LYS A 115 4.251 -7.573 12.698 1.00 0.00 C ATOM 1602 CE LYS A 115 5.097 -6.315 12.923 1.00 0.00 C ATOM 1603 NZ LYS A 115 5.706 -6.345 14.256 1.00 0.00 N ATOM 0 H LYS A 115 7.226 -8.952 9.537 1.00 0.00 H new ATOM 0 HA LYS A 115 7.487 -10.265 11.984 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.503 -8.017 11.243 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.180 -8.878 10.481 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.433 -9.720 12.704 1.00 0.00 H new ATOM 0 HG3 LYS A 115 5.769 -8.889 13.475 1.00 0.00 H new ATOM 0 HD2 LYS A 115 3.687 -7.463 11.772 1.00 0.00 H new ATOM 0 HD3 LYS A 115 3.524 -7.664 13.505 1.00 0.00 H new ATOM 0 HE2 LYS A 115 5.874 -6.250 12.162 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.474 -5.426 12.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.044 -5.394 14.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 4.999 -6.654 14.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.507 -7.008 14.257 1.00 0.00 H new ATOM 1617 N TYR A 116 5.017 -11.573 10.286 1.00 0.00 N ATOM 1618 CA TYR A 116 4.108 -12.727 10.167 1.00 0.00 C ATOM 1619 C TYR A 116 4.424 -13.620 8.952 1.00 0.00 C ATOM 1620 O TYR A 116 4.366 -14.854 9.013 1.00 0.00 O ATOM 1621 CB TYR A 116 2.665 -12.215 10.120 1.00 0.00 C ATOM 1622 CG TYR A 116 2.344 -11.309 8.920 1.00 0.00 C ATOM 1623 CD1 TYR A 116 1.789 -11.919 7.769 1.00 0.00 C ATOM 1624 CD2 TYR A 116 2.428 -9.907 9.039 1.00 0.00 C ATOM 1625 CE1 TYR A 116 1.346 -11.117 6.709 1.00 0.00 C ATOM 1626 CE2 TYR A 116 1.972 -9.099 7.979 1.00 0.00 C ATOM 1627 CZ TYR A 116 1.443 -9.721 6.827 1.00 0.00 C ATOM 1628 OH TYR A 116 0.930 -8.971 5.816 1.00 0.00 O ATOM 0 H TYR A 116 4.850 -10.854 9.582 1.00 0.00 H new ATOM 0 HA TYR A 116 4.250 -13.363 11.041 1.00 0.00 H new ATOM 0 HB2 TYR A 116 1.990 -13.071 10.102 1.00 0.00 H new ATOM 0 HB3 TYR A 116 2.459 -11.665 11.038 1.00 0.00 H new ATOM 0 HD1 TYR A 116 1.708 -12.994 7.709 1.00 0.00 H new ATOM 0 HD2 TYR A 116 2.837 -9.458 9.932 1.00 0.00 H new ATOM 0 HE1 TYR A 116 0.937 -11.565 5.816 1.00 0.00 H new ATOM 0 HE2 TYR A 116 2.026 -8.022 8.046 1.00 0.00 H new ATOM 0 HH TYR A 116 0.226 -9.476 5.359 1.00 0.00 H new ATOM 1638 N LEU A 117 4.746 -12.956 7.842 1.00 0.00 N ATOM 1639 CA LEU A 117 5.085 -13.566 6.538 1.00 0.00 C ATOM 1640 C LEU A 117 6.604 -13.726 6.519 1.00 0.00 C ATOM 1641 O LEU A 117 7.402 -12.975 5.946 1.00 0.00 O ATOM 1642 CB LEU A 117 4.566 -12.601 5.471 1.00 0.00 C ATOM 1643 CG LEU A 117 4.643 -13.123 4.033 1.00 0.00 C ATOM 1644 CD1 LEU A 117 3.881 -14.436 3.848 1.00 0.00 C ATOM 1645 CD2 LEU A 117 4.060 -12.057 3.123 1.00 0.00 C ATOM 0 H LEU A 117 4.782 -11.937 7.816 1.00 0.00 H new ATOM 0 HA LEU A 117 4.641 -14.545 6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.528 -12.357 5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 117 5.134 -11.673 5.535 1.00 0.00 H new ATOM 0 HG LEU A 117 5.685 -13.329 3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 117 3.967 -14.763 2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 117 4.302 -15.197 4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 117 2.830 -14.285 4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 117 4.101 -12.399 2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 117 3.024 -11.867 3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.637 -11.138 3.224 1.00 0.00 H new