USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 563 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -5.44! C(o=-5.4!,f=-6.9!) USER MOD Single : A 24 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.8!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0384 USER MOD Single : A 37 THR OG1 : rot 180:sc=-0.00836 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.5 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 152:sc= -0.0293 (180deg=-1.25) USER MOD Single : A 56 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.102) USER MOD Single : A 59 LYS NZ :NH3+ 153:sc= -0.0246 (180deg=-0.332) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 170:sc= 0.0234 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 2 -13.048 2.053 -9.392 1.00 0.00 N ATOM 14 CA LEU A 2 -12.002 1.255 -8.764 1.00 0.00 C ATOM 15 C LEU A 2 -10.680 2.012 -8.737 1.00 0.00 C ATOM 16 O LEU A 2 -10.581 3.129 -9.243 1.00 0.00 O ATOM 17 CB LEU A 2 -11.829 -0.073 -9.505 1.00 0.00 C ATOM 18 CG LEU A 2 -13.017 -1.031 -9.403 1.00 0.00 C ATOM 19 CD1 LEU A 2 -13.419 -1.532 -10.781 1.00 0.00 C ATOM 20 CD2 LEU A 2 -12.682 -2.198 -8.486 1.00 0.00 C ATOM 0 HA LEU A 2 -12.303 1.053 -7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.641 0.138 -10.558 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -10.943 -0.575 -9.117 1.00 0.00 H new ATOM 0 HG LEU A 2 -13.861 -0.489 -8.976 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -14.266 -2.212 -10.688 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -13.700 -0.686 -11.408 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.580 -2.058 -11.236 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -13.538 -2.870 -8.425 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -11.824 -2.739 -8.884 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.444 -1.822 -7.491 1.00 0.00 H new ATOM 32 N VAL A 3 -9.669 1.397 -8.134 1.00 0.00 N ATOM 33 CA VAL A 3 -8.353 2.012 -8.030 1.00 0.00 C ATOM 34 C VAL A 3 -7.280 0.968 -7.719 1.00 0.00 C ATOM 35 O VAL A 3 -7.575 -0.112 -7.216 1.00 0.00 O ATOM 36 CB VAL A 3 -8.347 3.112 -6.937 1.00 0.00 C ATOM 37 CG1 VAL A 3 -6.934 3.430 -6.452 1.00 0.00 C ATOM 38 CG2 VAL A 3 -9.029 4.370 -7.453 1.00 0.00 C ATOM 0 H VAL A 3 -9.737 0.472 -7.710 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.125 2.468 -8.994 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.904 2.728 -6.082 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.978 4.205 -5.687 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.483 2.531 -6.032 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.332 3.781 -7.290 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.018 5.134 -6.676 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.498 4.738 -8.331 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -10.060 4.141 -7.722 1.00 0.00 H new ATOM 48 N GLU A 4 -6.034 1.319 -8.013 1.00 0.00 N ATOM 49 CA GLU A 4 -4.904 0.436 -7.761 1.00 0.00 C ATOM 50 C GLU A 4 -3.813 1.176 -6.992 1.00 0.00 C ATOM 51 O GLU A 4 -3.007 1.893 -7.584 1.00 0.00 O ATOM 52 CB GLU A 4 -4.342 -0.094 -9.082 1.00 0.00 C ATOM 53 CG GLU A 4 -5.402 -0.337 -10.143 1.00 0.00 C ATOM 54 CD GLU A 4 -5.459 0.771 -11.175 1.00 0.00 C ATOM 55 OE1 GLU A 4 -5.593 1.948 -10.776 1.00 0.00 O ATOM 56 OE2 GLU A 4 -5.371 0.464 -12.382 1.00 0.00 O ATOM 0 H GLU A 4 -5.781 2.215 -8.429 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.250 -0.405 -7.160 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.611 0.617 -9.467 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.810 -1.026 -8.892 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.200 -1.284 -10.643 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.376 -0.432 -9.663 1.00 0.00 H new ATOM 63 N LEU A 5 -3.793 1.007 -5.671 1.00 0.00 N ATOM 64 CA LEU A 5 -2.797 1.672 -4.840 1.00 0.00 C ATOM 65 C LEU A 5 -1.391 1.270 -5.261 1.00 0.00 C ATOM 66 O LEU A 5 -1.207 0.297 -5.992 1.00 0.00 O ATOM 67 CB LEU A 5 -3.019 1.350 -3.362 1.00 0.00 C ATOM 68 CG LEU A 5 -3.379 2.556 -2.493 1.00 0.00 C ATOM 69 CD1 LEU A 5 -3.682 2.124 -1.069 1.00 0.00 C ATOM 70 CD2 LEU A 5 -2.252 3.577 -2.514 1.00 0.00 C ATOM 0 H LEU A 5 -4.451 0.420 -5.158 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.907 2.748 -4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.815 0.610 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.114 0.890 -2.964 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.276 3.020 -2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.935 2.998 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.522 1.429 -1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.806 1.634 -0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.522 4.430 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.340 3.121 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.085 3.913 -3.537 1.00 0.00 H new ATOM 82 N LYS A 6 -0.402 2.028 -4.804 1.00 0.00 N ATOM 83 CA LYS A 6 0.983 1.748 -5.149 1.00 0.00 C ATOM 84 C LYS A 6 1.923 2.044 -3.983 1.00 0.00 C ATOM 85 O LYS A 6 1.515 2.592 -2.958 1.00 0.00 O ATOM 86 CB LYS A 6 1.392 2.567 -6.372 1.00 0.00 C ATOM 87 CG LYS A 6 0.475 2.367 -7.570 1.00 0.00 C ATOM 88 CD LYS A 6 1.256 2.345 -8.873 1.00 0.00 C ATOM 89 CE LYS A 6 0.371 1.960 -10.046 1.00 0.00 C ATOM 90 NZ LYS A 6 1.102 1.132 -11.045 1.00 0.00 N ATOM 0 H LYS A 6 -0.534 2.837 -4.197 1.00 0.00 H new ATOM 0 HA LYS A 6 1.062 0.686 -5.380 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.403 3.624 -6.105 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.410 2.299 -6.655 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.073 1.432 -7.458 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.264 3.168 -7.601 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.693 3.327 -9.053 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.082 1.638 -8.792 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.495 1.408 -9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.006 2.862 -10.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.463 0.890 -11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.914 1.668 -11.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.440 0.259 -10.592 1.00 0.00 H new ATOM 104 N VAL A 7 3.183 1.669 -4.158 1.00 0.00 N ATOM 105 CA VAL A 7 4.211 1.874 -3.142 1.00 0.00 C ATOM 106 C VAL A 7 4.600 3.349 -3.045 1.00 0.00 C ATOM 107 O VAL A 7 4.697 4.038 -4.060 1.00 0.00 O ATOM 108 CB VAL A 7 5.458 1.028 -3.468 1.00 0.00 C ATOM 109 CG1 VAL A 7 6.473 1.087 -2.340 1.00 0.00 C ATOM 110 CG2 VAL A 7 5.057 -0.410 -3.762 1.00 0.00 C ATOM 0 H VAL A 7 3.523 1.215 -5.006 1.00 0.00 H new ATOM 0 HA VAL A 7 3.802 1.560 -2.182 1.00 0.00 H new ATOM 0 HB VAL A 7 5.930 1.446 -4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.341 0.481 -2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.785 2.120 -2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.023 0.703 -1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.947 -0.996 -3.991 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.557 -0.834 -2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.379 -0.432 -4.615 1.00 0.00 H new ATOM 120 N PRO A 8 4.816 3.862 -1.819 1.00 0.00 N ATOM 121 CA PRO A 8 5.180 5.267 -1.610 1.00 0.00 C ATOM 122 C PRO A 8 6.519 5.630 -2.235 1.00 0.00 C ATOM 123 O PRO A 8 7.071 4.878 -3.038 1.00 0.00 O ATOM 124 CB PRO A 8 5.256 5.417 -0.089 1.00 0.00 C ATOM 125 CG PRO A 8 5.398 4.028 0.441 1.00 0.00 C ATOM 126 CD PRO A 8 4.713 3.125 -0.547 1.00 0.00 C ATOM 0 HA PRO A 8 4.453 5.930 -2.080 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.104 6.037 0.203 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.360 5.897 0.303 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.449 3.759 0.549 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.943 3.940 1.428 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.201 2.152 -0.607 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.674 2.944 -0.271 1.00 0.00 H new ATOM 134 N ASP A 9 7.031 6.794 -1.855 1.00 0.00 N ATOM 135 CA ASP A 9 8.304 7.285 -2.364 1.00 0.00 C ATOM 136 C ASP A 9 9.463 6.892 -1.446 1.00 0.00 C ATOM 137 O ASP A 9 10.625 7.005 -1.833 1.00 0.00 O ATOM 138 CB ASP A 9 8.247 8.805 -2.503 1.00 0.00 C ATOM 139 CG ASP A 9 9.576 9.404 -2.921 1.00 0.00 C ATOM 140 OD1 ASP A 9 10.087 9.026 -3.996 1.00 0.00 O ATOM 141 OD2 ASP A 9 10.107 10.252 -2.172 1.00 0.00 O ATOM 0 H ASP A 9 6.578 7.420 -1.189 1.00 0.00 H new ATOM 0 HA ASP A 9 8.479 6.830 -3.339 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.486 9.070 -3.237 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.939 9.241 -1.553 1.00 0.00 H new ATOM 146 N ILE A 10 9.133 6.434 -0.234 1.00 0.00 N ATOM 147 CA ILE A 10 10.129 6.017 0.761 1.00 0.00 C ATOM 148 C ILE A 10 11.417 6.835 0.680 1.00 0.00 C ATOM 149 O ILE A 10 12.507 6.322 0.929 1.00 0.00 O ATOM 150 CB ILE A 10 10.466 4.513 0.635 1.00 0.00 C ATOM 151 CG1 ILE A 10 10.375 4.052 -0.821 1.00 0.00 C ATOM 152 CG2 ILE A 10 9.533 3.687 1.510 1.00 0.00 C ATOM 153 CD1 ILE A 10 11.527 4.525 -1.673 1.00 0.00 C ATOM 0 H ILE A 10 8.169 6.342 0.086 1.00 0.00 H new ATOM 0 HA ILE A 10 9.671 6.200 1.733 1.00 0.00 H new ATOM 0 HB ILE A 10 11.491 4.365 0.975 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.336 2.963 -0.848 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.442 4.415 -1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.782 2.630 1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.646 3.991 2.551 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.502 3.848 1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.398 4.162 -2.693 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.554 5.615 -1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.462 4.140 -1.266 1.00 0.00 H new ATOM 197 N GLU A 14 14.086 2.906 -5.866 1.00 0.00 N ATOM 198 CA GLU A 14 13.537 1.588 -6.157 1.00 0.00 C ATOM 199 C GLU A 14 14.100 0.537 -5.205 1.00 0.00 C ATOM 200 O GLU A 14 14.949 0.835 -4.366 1.00 0.00 O ATOM 201 CB GLU A 14 13.838 1.194 -7.603 1.00 0.00 C ATOM 202 CG GLU A 14 13.578 2.307 -8.605 1.00 0.00 C ATOM 203 CD GLU A 14 14.303 2.092 -9.918 1.00 0.00 C ATOM 204 OE1 GLU A 14 13.964 1.123 -10.631 1.00 0.00 O ATOM 205 OE2 GLU A 14 15.210 2.889 -10.234 1.00 0.00 O ATOM 0 HA GLU A 14 12.457 1.636 -6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 14 14.881 0.886 -7.677 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.231 0.329 -7.869 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.507 2.378 -8.793 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.890 3.259 -8.174 1.00 0.00 H new ATOM 212 N ASN A 15 13.619 -0.694 -5.350 1.00 0.00 N ATOM 213 CA ASN A 15 14.065 -1.807 -4.513 1.00 0.00 C ATOM 214 C ASN A 15 14.146 -1.404 -3.042 1.00 0.00 C ATOM 215 O ASN A 15 15.154 -0.863 -2.589 1.00 0.00 O ATOM 216 CB ASN A 15 15.426 -2.317 -4.990 1.00 0.00 C ATOM 217 CG ASN A 15 16.514 -1.266 -4.878 1.00 0.00 C ATOM 218 OD1 ASN A 15 16.606 -0.362 -5.708 1.00 0.00 O ATOM 219 ND2 ASN A 15 17.346 -1.381 -3.850 1.00 0.00 N ATOM 0 H ASN A 15 12.916 -0.949 -6.044 1.00 0.00 H new ATOM 0 HA ASN A 15 13.329 -2.606 -4.604 1.00 0.00 H new ATOM 0 HB2 ASN A 15 15.708 -3.191 -4.403 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.345 -2.642 -6.027 1.00 0.00 H new ATOM 0 HD21 ASN A 15 18.098 -0.704 -3.725 1.00 0.00 H new ATOM 0 HD22 ASN A 15 17.233 -2.147 -3.186 1.00 0.00 H new ATOM 226 N VAL A 16 13.078 -1.683 -2.299 1.00 0.00 N ATOM 227 CA VAL A 16 13.028 -1.361 -0.877 1.00 0.00 C ATOM 228 C VAL A 16 12.096 -2.318 -0.141 1.00 0.00 C ATOM 229 O VAL A 16 11.049 -2.700 -0.658 1.00 0.00 O ATOM 230 CB VAL A 16 12.568 0.092 -0.628 1.00 0.00 C ATOM 231 CG1 VAL A 16 13.498 1.076 -1.323 1.00 0.00 C ATOM 232 CG2 VAL A 16 11.130 0.297 -1.084 1.00 0.00 C ATOM 0 H VAL A 16 12.236 -2.132 -2.659 1.00 0.00 H new ATOM 0 HA VAL A 16 14.043 -1.469 -0.493 1.00 0.00 H new ATOM 0 HB VAL A 16 12.610 0.279 0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 16 13.157 2.094 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 16 14.510 0.956 -0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 16 13.494 0.884 -2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.832 1.329 -0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 16 11.053 0.085 -2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.474 -0.376 -0.532 1.00 0.00 H new ATOM 242 N ASP A 17 12.489 -2.713 1.063 1.00 0.00 N ATOM 243 CA ASP A 17 11.690 -3.636 1.858 1.00 0.00 C ATOM 244 C ASP A 17 10.569 -2.913 2.598 1.00 0.00 C ATOM 245 O ASP A 17 10.803 -1.910 3.275 1.00 0.00 O ATOM 246 CB ASP A 17 12.579 -4.373 2.861 1.00 0.00 C ATOM 247 CG ASP A 17 13.546 -5.326 2.186 1.00 0.00 C ATOM 248 OD1 ASP A 17 13.083 -6.332 1.608 1.00 0.00 O ATOM 249 OD2 ASP A 17 14.767 -5.067 2.236 1.00 0.00 O ATOM 0 H ASP A 17 13.354 -2.409 1.510 1.00 0.00 H new ATOM 0 HA ASP A 17 11.237 -4.354 1.175 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.140 -3.646 3.448 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.952 -4.929 3.558 1.00 0.00 H new ATOM 254 N ILE A 18 9.353 -3.439 2.477 1.00 0.00 N ATOM 255 CA ILE A 18 8.204 -2.858 3.148 1.00 0.00 C ATOM 256 C ILE A 18 8.408 -2.924 4.655 1.00 0.00 C ATOM 257 O ILE A 18 9.285 -3.642 5.134 1.00 0.00 O ATOM 258 CB ILE A 18 6.905 -3.595 2.746 1.00 0.00 C ATOM 259 CG1 ILE A 18 6.577 -3.293 1.288 1.00 0.00 C ATOM 260 CG2 ILE A 18 5.739 -3.202 3.643 1.00 0.00 C ATOM 261 CD1 ILE A 18 5.821 -4.404 0.596 1.00 0.00 C ATOM 0 H ILE A 18 9.142 -4.267 1.919 1.00 0.00 H new ATOM 0 HA ILE A 18 8.107 -1.816 2.844 1.00 0.00 H new ATOM 0 HB ILE A 18 7.067 -4.666 2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.987 -2.378 1.239 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.504 -3.104 0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.843 -3.739 3.331 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.973 -3.456 4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.565 -2.129 3.564 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.622 -4.120 -0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.418 -5.316 0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.877 -4.578 1.112 1.00 0.00 H new ATOM 273 N ILE A 19 7.616 -2.170 5.408 1.00 0.00 N ATOM 274 CA ILE A 19 7.770 -2.174 6.863 1.00 0.00 C ATOM 275 C ILE A 19 6.444 -2.440 7.588 1.00 0.00 C ATOM 276 O ILE A 19 6.435 -2.697 8.791 1.00 0.00 O ATOM 277 CB ILE A 19 8.460 -0.861 7.402 1.00 0.00 C ATOM 278 CG1 ILE A 19 7.516 0.005 8.255 1.00 0.00 C ATOM 279 CG2 ILE A 19 9.040 -0.019 6.264 1.00 0.00 C ATOM 280 CD1 ILE A 19 8.211 1.147 8.959 1.00 0.00 C ATOM 0 H ILE A 19 6.879 -1.562 5.051 1.00 0.00 H new ATOM 0 HA ILE A 19 8.438 -3.005 7.090 1.00 0.00 H new ATOM 0 HB ILE A 19 9.272 -1.201 8.045 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.730 0.408 7.616 1.00 0.00 H new ATOM 0 HG13 ILE A 19 7.030 -0.627 8.998 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.506 0.876 6.675 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.786 -0.602 5.724 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.241 0.269 5.581 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.483 1.713 9.540 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.978 0.751 9.624 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.674 1.802 8.221 1.00 0.00 H new ATOM 292 N ALA A 20 5.331 -2.374 6.867 1.00 0.00 N ATOM 293 CA ALA A 20 4.030 -2.604 7.479 1.00 0.00 C ATOM 294 C ALA A 20 3.062 -3.265 6.507 1.00 0.00 C ATOM 295 O ALA A 20 3.235 -3.190 5.290 1.00 0.00 O ATOM 296 CB ALA A 20 3.457 -1.294 7.992 1.00 0.00 C ATOM 0 H ALA A 20 5.303 -2.165 5.869 1.00 0.00 H new ATOM 0 HA ALA A 20 4.169 -3.286 8.318 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.484 -1.476 8.448 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.132 -0.868 8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.344 -0.597 7.162 1.00 0.00 H new ATOM 302 N VAL A 21 2.040 -3.914 7.056 1.00 0.00 N ATOM 303 CA VAL A 21 1.038 -4.592 6.246 1.00 0.00 C ATOM 304 C VAL A 21 -0.324 -4.575 6.931 1.00 0.00 C ATOM 305 O VAL A 21 -0.462 -5.028 8.067 1.00 0.00 O ATOM 306 CB VAL A 21 1.441 -6.051 5.959 1.00 0.00 C ATOM 307 CG1 VAL A 21 1.625 -6.820 7.259 1.00 0.00 C ATOM 308 CG2 VAL A 21 0.409 -6.728 5.071 1.00 0.00 C ATOM 0 H VAL A 21 1.885 -3.984 8.062 1.00 0.00 H new ATOM 0 HA VAL A 21 0.973 -4.050 5.302 1.00 0.00 H new ATOM 0 HB VAL A 21 2.393 -6.047 5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.909 -7.848 7.036 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.407 -6.348 7.853 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.690 -6.815 7.820 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.712 -7.757 4.880 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.560 -6.722 5.570 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.334 -6.191 4.126 1.00 0.00 H new ATOM 318 N GLU A 22 -1.327 -4.048 6.236 1.00 0.00 N ATOM 319 CA GLU A 22 -2.676 -3.972 6.782 1.00 0.00 C ATOM 320 C GLU A 22 -3.718 -4.073 5.674 1.00 0.00 C ATOM 321 O GLU A 22 -4.690 -3.318 5.650 1.00 0.00 O ATOM 322 CB GLU A 22 -2.865 -2.666 7.557 1.00 0.00 C ATOM 323 CG GLU A 22 -1.789 -2.419 8.602 1.00 0.00 C ATOM 324 CD GLU A 22 -2.252 -1.492 9.709 1.00 0.00 C ATOM 325 OE1 GLU A 22 -3.465 -1.204 9.773 1.00 0.00 O ATOM 326 OE2 GLU A 22 -1.401 -1.054 10.512 1.00 0.00 O ATOM 0 H GLU A 22 -1.231 -3.668 5.294 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.812 -4.813 7.463 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.875 -1.834 6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.839 -2.681 8.046 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.483 -3.371 9.035 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.910 -1.992 8.119 1.00 0.00 H new ATOM 333 N VAL A 23 -3.508 -5.012 4.757 1.00 0.00 N ATOM 334 CA VAL A 23 -4.430 -5.213 3.646 1.00 0.00 C ATOM 335 C VAL A 23 -4.718 -6.695 3.435 1.00 0.00 C ATOM 336 O VAL A 23 -3.809 -7.484 3.178 1.00 0.00 O ATOM 337 CB VAL A 23 -3.876 -4.615 2.341 1.00 0.00 C ATOM 338 CG1 VAL A 23 -4.099 -3.111 2.305 1.00 0.00 C ATOM 339 CG2 VAL A 23 -2.399 -4.947 2.184 1.00 0.00 C ATOM 0 H VAL A 23 -2.708 -5.645 4.762 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.356 -4.699 3.905 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.414 -5.059 1.504 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.701 -2.706 1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.167 -2.900 2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.590 -2.647 3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.026 -4.515 1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.842 -4.535 3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.270 -6.029 2.159 1.00 0.00 H new ATOM 349 N ASN A 24 -5.988 -7.064 3.547 1.00 0.00 N ATOM 350 CA ASN A 24 -6.401 -8.453 3.370 1.00 0.00 C ATOM 351 C ASN A 24 -7.557 -8.569 2.376 1.00 0.00 C ATOM 352 O ASN A 24 -8.168 -9.630 2.248 1.00 0.00 O ATOM 353 CB ASN A 24 -6.817 -9.049 4.713 1.00 0.00 C ATOM 354 CG ASN A 24 -6.574 -10.545 4.784 1.00 0.00 C ATOM 355 OD1 ASN A 24 -5.702 -11.077 4.097 1.00 0.00 O ATOM 356 ND2 ASN A 24 -7.347 -11.231 5.616 1.00 0.00 N ATOM 0 H ASN A 24 -6.751 -6.421 3.760 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.551 -9.006 2.970 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.264 -8.556 5.513 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.874 -8.847 4.885 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.231 -12.240 5.705 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.058 -10.749 6.167 1.00 0.00 H new ATOM 363 N VAL A 25 -7.852 -7.480 1.673 1.00 0.00 N ATOM 364 CA VAL A 25 -8.932 -7.473 0.696 1.00 0.00 C ATOM 365 C VAL A 25 -10.264 -7.829 1.352 1.00 0.00 C ATOM 366 O VAL A 25 -10.464 -8.958 1.798 1.00 0.00 O ATOM 367 CB VAL A 25 -8.647 -8.465 -0.450 1.00 0.00 C ATOM 368 CG1 VAL A 25 -9.804 -8.501 -1.439 1.00 0.00 C ATOM 369 CG2 VAL A 25 -7.348 -8.106 -1.154 1.00 0.00 C ATOM 0 H VAL A 25 -7.358 -6.592 1.763 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.994 -6.465 0.287 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.542 -9.461 -0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.578 -9.208 -2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.713 -8.813 -0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.950 -7.508 -1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.162 -8.816 -1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.424 -7.100 -1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.525 -8.144 -0.440 1.00 0.00 H new ATOM 379 N GLY A 26 -11.173 -6.860 1.404 1.00 0.00 N ATOM 380 CA GLY A 26 -12.473 -7.095 2.005 1.00 0.00 C ATOM 381 C GLY A 26 -12.866 -6.017 2.999 1.00 0.00 C ATOM 382 O GLY A 26 -14.032 -5.913 3.380 1.00 0.00 O ATOM 0 H GLY A 26 -11.032 -5.917 1.041 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.227 -7.150 1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.466 -8.062 2.509 1.00 0.00 H new ATOM 386 N ASP A 27 -11.894 -5.213 3.421 1.00 0.00 N ATOM 387 CA ASP A 27 -12.151 -4.143 4.377 1.00 0.00 C ATOM 388 C ASP A 27 -12.376 -2.815 3.662 1.00 0.00 C ATOM 389 O ASP A 27 -11.725 -2.521 2.659 1.00 0.00 O ATOM 390 CB ASP A 27 -10.985 -4.015 5.359 1.00 0.00 C ATOM 391 CG ASP A 27 -11.450 -3.901 6.797 1.00 0.00 C ATOM 392 OD1 ASP A 27 -12.105 -4.844 7.286 1.00 0.00 O ATOM 393 OD2 ASP A 27 -11.157 -2.866 7.434 1.00 0.00 O ATOM 0 H ASP A 27 -10.923 -5.283 3.116 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.056 -4.395 4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.332 -4.882 5.259 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.391 -3.138 5.101 1.00 0.00 H new ATOM 398 N THR A 28 -13.299 -2.015 4.186 1.00 0.00 N ATOM 399 CA THR A 28 -13.606 -0.717 3.598 1.00 0.00 C ATOM 400 C THR A 28 -12.478 0.274 3.860 1.00 0.00 C ATOM 401 O THR A 28 -12.051 0.457 5.000 1.00 0.00 O ATOM 402 CB THR A 28 -14.921 -0.174 4.161 1.00 0.00 C ATOM 403 OG1 THR A 28 -15.918 -1.180 4.164 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.461 1.005 3.382 1.00 0.00 C ATOM 0 H THR A 28 -13.847 -2.243 5.016 1.00 0.00 H new ATOM 0 HA THR A 28 -13.710 -0.848 2.521 1.00 0.00 H new ATOM 0 HB THR A 28 -14.689 0.155 5.174 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.751 -0.814 4.529 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.394 1.342 3.833 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.735 1.817 3.401 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.644 0.706 2.350 1.00 0.00 H new ATOM 412 N ILE A 29 -11.996 0.907 2.797 1.00 0.00 N ATOM 413 CA ILE A 29 -10.914 1.876 2.909 1.00 0.00 C ATOM 414 C ILE A 29 -11.421 3.296 2.683 1.00 0.00 C ATOM 415 O ILE A 29 -12.431 3.505 2.011 1.00 0.00 O ATOM 416 CB ILE A 29 -9.794 1.580 1.897 1.00 0.00 C ATOM 417 CG1 ILE A 29 -10.365 1.550 0.480 1.00 0.00 C ATOM 418 CG2 ILE A 29 -9.112 0.262 2.230 1.00 0.00 C ATOM 419 CD1 ILE A 29 -9.766 2.592 -0.436 1.00 0.00 C ATOM 0 H ILE A 29 -12.338 0.766 1.847 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.516 1.791 3.920 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.048 2.372 1.955 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.198 0.562 0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.444 1.698 0.529 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.322 0.068 1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.681 0.318 3.230 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.844 -0.545 2.195 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.219 2.511 -1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.956 3.586 -0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.691 2.432 -0.515 1.00 0.00 H new ATOM 431 N ALA A 30 -10.711 4.266 3.246 1.00 0.00 N ATOM 432 CA ALA A 30 -11.085 5.666 3.104 1.00 0.00 C ATOM 433 C ALA A 30 -9.921 6.492 2.569 1.00 0.00 C ATOM 434 O ALA A 30 -8.837 5.966 2.314 1.00 0.00 O ATOM 435 CB ALA A 30 -11.561 6.222 4.438 1.00 0.00 C ATOM 0 H ALA A 30 -9.873 4.108 3.805 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.902 5.729 2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.838 7.269 4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.427 5.655 4.780 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.760 6.140 5.173 1.00 0.00 H new ATOM 441 N VAL A 31 -10.154 7.789 2.390 1.00 0.00 N ATOM 442 CA VAL A 31 -9.122 8.685 1.878 1.00 0.00 C ATOM 443 C VAL A 31 -8.229 9.204 3.002 1.00 0.00 C ATOM 444 O VAL A 31 -7.970 10.404 3.097 1.00 0.00 O ATOM 445 CB VAL A 31 -9.740 9.885 1.135 1.00 0.00 C ATOM 446 CG1 VAL A 31 -8.675 10.634 0.350 1.00 0.00 C ATOM 447 CG2 VAL A 31 -10.864 9.424 0.218 1.00 0.00 C ATOM 0 H VAL A 31 -11.045 8.242 2.591 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.519 8.103 1.181 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.161 10.568 1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.131 11.478 -0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.908 10.999 1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.221 9.963 -0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.289 10.285 -0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.470 8.719 -0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.639 8.937 0.809 1.00 0.00 H new ATOM 457 N ASP A 32 -7.759 8.292 3.853 1.00 0.00 N ATOM 458 CA ASP A 32 -6.892 8.649 4.976 1.00 0.00 C ATOM 459 C ASP A 32 -6.828 7.509 5.988 1.00 0.00 C ATOM 460 O ASP A 32 -7.404 7.599 7.073 1.00 0.00 O ATOM 461 CB ASP A 32 -7.387 9.925 5.666 1.00 0.00 C ATOM 462 CG ASP A 32 -8.894 9.948 5.827 1.00 0.00 C ATOM 463 OD1 ASP A 32 -9.402 9.274 6.748 1.00 0.00 O ATOM 464 OD2 ASP A 32 -9.566 10.640 5.034 1.00 0.00 O ATOM 0 H ASP A 32 -7.966 7.295 3.785 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.893 8.831 4.580 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.918 10.010 6.646 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.073 10.793 5.087 1.00 0.00 H new ATOM 469 N ASP A 33 -6.127 6.438 5.629 1.00 0.00 N ATOM 470 CA ASP A 33 -5.994 5.284 6.512 1.00 0.00 C ATOM 471 C ASP A 33 -4.747 4.481 6.167 1.00 0.00 C ATOM 472 O ASP A 33 -4.747 3.688 5.226 1.00 0.00 O ATOM 473 CB ASP A 33 -7.234 4.392 6.418 1.00 0.00 C ATOM 474 CG ASP A 33 -7.461 3.864 5.015 1.00 0.00 C ATOM 475 OD1 ASP A 33 -7.934 4.640 4.157 1.00 0.00 O ATOM 476 OD2 ASP A 33 -7.166 2.675 4.774 1.00 0.00 O ATOM 0 H ASP A 33 -5.644 6.345 4.736 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.900 5.650 7.535 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.128 3.553 7.106 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.110 4.957 6.737 1.00 0.00 H new ATOM 481 N THR A 34 -3.680 4.699 6.931 1.00 0.00 N ATOM 482 CA THR A 34 -2.418 4.003 6.704 1.00 0.00 C ATOM 483 C THR A 34 -2.627 2.514 6.473 1.00 0.00 C ATOM 484 O THR A 34 -3.097 1.793 7.353 1.00 0.00 O ATOM 485 CB THR A 34 -1.473 4.214 7.875 1.00 0.00 C ATOM 486 OG1 THR A 34 -2.189 4.437 9.076 1.00 0.00 O ATOM 487 CG2 THR A 34 -0.528 5.377 7.671 1.00 0.00 C ATOM 0 H THR A 34 -3.665 5.353 7.714 1.00 0.00 H new ATOM 0 HA THR A 34 -1.975 4.426 5.802 1.00 0.00 H new ATOM 0 HB THR A 34 -0.888 3.297 7.942 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.557 4.568 9.814 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.121 5.476 8.541 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.080 5.201 6.784 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.103 6.294 7.541 1.00 0.00 H new ATOM 495 N LEU A 35 -2.252 2.061 5.285 1.00 0.00 N ATOM 496 CA LEU A 35 -2.370 0.657 4.927 1.00 0.00 C ATOM 497 C LEU A 35 -1.068 -0.056 5.247 1.00 0.00 C ATOM 498 O LEU A 35 -1.066 -1.160 5.791 1.00 0.00 O ATOM 499 CB LEU A 35 -2.704 0.507 3.441 1.00 0.00 C ATOM 500 CG LEU A 35 -4.144 0.860 3.062 1.00 0.00 C ATOM 501 CD1 LEU A 35 -4.426 0.477 1.618 1.00 0.00 C ATOM 502 CD2 LEU A 35 -5.125 0.172 3.999 1.00 0.00 C ATOM 0 H LEU A 35 -1.861 2.650 4.550 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.179 0.210 5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.028 1.140 2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.508 -0.523 3.142 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.271 1.938 3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.455 0.736 1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.745 1.016 0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.280 -0.596 1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.144 0.434 3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.996 -0.908 3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.939 0.496 5.023 1.00 0.00 H new ATOM 514 N ILE A 36 0.042 0.601 4.920 1.00 0.00 N ATOM 515 CA ILE A 36 1.365 0.052 5.187 1.00 0.00 C ATOM 516 C ILE A 36 2.373 1.161 5.459 1.00 0.00 C ATOM 517 O ILE A 36 2.027 2.342 5.491 1.00 0.00 O ATOM 518 CB ILE A 36 1.884 -0.828 4.018 1.00 0.00 C ATOM 519 CG1 ILE A 36 1.869 -0.089 2.669 1.00 0.00 C ATOM 520 CG2 ILE A 36 1.053 -2.092 3.913 1.00 0.00 C ATOM 521 CD1 ILE A 36 2.606 1.234 2.652 1.00 0.00 C ATOM 0 H ILE A 36 0.049 1.516 4.469 1.00 0.00 H new ATOM 0 HA ILE A 36 1.262 -0.576 6.072 1.00 0.00 H new ATOM 0 HB ILE A 36 2.921 -1.076 4.243 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.305 -0.740 1.911 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.833 0.087 2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.424 -2.704 3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.126 -2.654 4.844 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.012 -1.828 3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.537 1.676 1.658 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.158 1.909 3.381 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.654 1.070 2.905 1.00 0.00 H new ATOM 533 N THR A 37 3.625 0.767 5.618 1.00 0.00 N ATOM 534 CA THR A 37 4.711 1.700 5.847 1.00 0.00 C ATOM 535 C THR A 37 5.981 1.118 5.248 1.00 0.00 C ATOM 536 O THR A 37 6.350 -0.013 5.553 1.00 0.00 O ATOM 537 CB THR A 37 4.887 1.975 7.342 1.00 0.00 C ATOM 538 OG1 THR A 37 3.774 2.686 7.854 1.00 0.00 O ATOM 539 CG2 THR A 37 6.128 2.779 7.660 1.00 0.00 C ATOM 0 H THR A 37 3.916 -0.210 5.592 1.00 0.00 H new ATOM 0 HA THR A 37 4.484 2.653 5.369 1.00 0.00 H new ATOM 0 HB THR A 37 4.979 0.994 7.808 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.904 2.851 8.811 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.192 2.938 8.736 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.010 2.236 7.320 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.077 3.743 7.153 1.00 0.00 H new ATOM 547 N LEU A 38 6.624 1.869 4.366 1.00 0.00 N ATOM 548 CA LEU A 38 7.831 1.387 3.707 1.00 0.00 C ATOM 549 C LEU A 38 9.059 2.183 4.126 1.00 0.00 C ATOM 550 O LEU A 38 8.950 3.243 4.739 1.00 0.00 O ATOM 551 CB LEU A 38 7.658 1.447 2.191 1.00 0.00 C ATOM 552 CG LEU A 38 6.838 0.305 1.597 1.00 0.00 C ATOM 553 CD1 LEU A 38 5.409 0.754 1.350 1.00 0.00 C ATOM 554 CD2 LEU A 38 7.478 -0.197 0.314 1.00 0.00 C ATOM 0 H LEU A 38 6.334 2.807 4.091 1.00 0.00 H new ATOM 0 HA LEU A 38 7.987 0.353 4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.182 2.392 1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.644 1.448 1.726 1.00 0.00 H new ATOM 0 HG LEU A 38 6.818 -0.519 2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.836 -0.071 0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.957 1.063 2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.406 1.593 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.881 -1.011 -0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.529 0.616 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.485 -0.557 0.526 1.00 0.00 H new ATOM 566 N GLU A 39 10.231 1.655 3.788 1.00 0.00 N ATOM 567 CA GLU A 39 11.488 2.306 4.125 1.00 0.00 C ATOM 568 C GLU A 39 12.623 1.761 3.268 1.00 0.00 C ATOM 569 O GLU A 39 12.493 0.709 2.641 1.00 0.00 O ATOM 570 CB GLU A 39 11.803 2.109 5.607 1.00 0.00 C ATOM 571 CG GLU A 39 13.192 2.584 6.008 1.00 0.00 C ATOM 572 CD GLU A 39 13.453 2.438 7.493 1.00 0.00 C ATOM 573 OE1 GLU A 39 12.685 1.714 8.163 1.00 0.00 O ATOM 574 OE2 GLU A 39 14.424 3.047 7.988 1.00 0.00 O ATOM 0 H GLU A 39 10.334 0.777 3.280 1.00 0.00 H new ATOM 0 HA GLU A 39 11.388 3.373 3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.061 2.643 6.201 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.706 1.051 5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.940 2.016 5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.310 3.630 5.723 1.00 0.00 H new ATOM 581 N THR A 40 13.735 2.485 3.244 1.00 0.00 N ATOM 582 CA THR A 40 14.894 2.078 2.463 1.00 0.00 C ATOM 583 C THR A 40 16.119 1.921 3.353 1.00 0.00 C ATOM 584 O THR A 40 16.727 0.853 3.411 1.00 0.00 O ATOM 585 CB THR A 40 15.172 3.110 1.370 1.00 0.00 C ATOM 586 OG1 THR A 40 15.858 4.230 1.902 1.00 0.00 O ATOM 587 CG2 THR A 40 13.914 3.617 0.699 1.00 0.00 C ATOM 0 H THR A 40 13.858 3.358 3.757 1.00 0.00 H new ATOM 0 HA THR A 40 14.678 1.114 2.003 1.00 0.00 H new ATOM 0 HB THR A 40 15.779 2.593 0.627 1.00 0.00 H new ATOM 0 HG1 THR A 40 16.029 4.879 1.188 1.00 0.00 H new ATOM 0 HG21 THR A 40 14.179 4.346 -0.067 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.386 2.782 0.238 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.270 4.088 1.442 1.00 0.00 H new ATOM 595 N ASP A 41 16.470 2.995 4.047 1.00 0.00 N ATOM 596 CA ASP A 41 17.622 2.986 4.939 1.00 0.00 C ATOM 597 C ASP A 41 17.737 4.304 5.699 1.00 0.00 C ATOM 598 O ASP A 41 18.117 4.323 6.871 1.00 0.00 O ATOM 599 CB ASP A 41 18.904 2.727 4.146 1.00 0.00 C ATOM 600 CG ASP A 41 19.454 1.333 4.371 1.00 0.00 C ATOM 601 OD1 ASP A 41 18.706 0.476 4.889 1.00 0.00 O ATOM 602 OD2 ASP A 41 20.631 1.096 4.029 1.00 0.00 O ATOM 0 H ASP A 41 15.973 3.885 4.010 1.00 0.00 H new ATOM 0 HA ASP A 41 17.481 2.184 5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.705 2.868 3.084 1.00 0.00 H new ATOM 0 HB3 ASP A 41 19.658 3.462 4.430 1.00 0.00 H new ATOM 607 N LYS A 42 17.414 5.405 5.026 1.00 0.00 N ATOM 608 CA LYS A 42 17.491 6.724 5.645 1.00 0.00 C ATOM 609 C LYS A 42 16.117 7.385 5.734 1.00 0.00 C ATOM 610 O LYS A 42 15.918 8.315 6.516 1.00 0.00 O ATOM 611 CB LYS A 42 18.447 7.623 4.860 1.00 0.00 C ATOM 612 CG LYS A 42 19.892 7.522 5.319 1.00 0.00 C ATOM 613 CD LYS A 42 20.456 8.885 5.690 1.00 0.00 C ATOM 614 CE LYS A 42 21.651 8.759 6.619 1.00 0.00 C ATOM 615 NZ LYS A 42 22.877 8.329 5.891 1.00 0.00 N ATOM 0 H LYS A 42 17.098 5.410 4.056 1.00 0.00 H new ATOM 0 HA LYS A 42 17.868 6.589 6.659 1.00 0.00 H new ATOM 0 HB2 LYS A 42 18.391 7.363 3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 42 18.117 8.658 4.952 1.00 0.00 H new ATOM 0 HG2 LYS A 42 19.956 6.855 6.178 1.00 0.00 H new ATOM 0 HG3 LYS A 42 20.496 7.080 4.527 1.00 0.00 H new ATOM 0 HD2 LYS A 42 20.752 9.416 4.785 1.00 0.00 H new ATOM 0 HD3 LYS A 42 19.681 9.482 6.171 1.00 0.00 H new ATOM 0 HE2 LYS A 42 21.835 9.717 7.106 1.00 0.00 H new ATOM 0 HE3 LYS A 42 21.425 8.040 7.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 23.670 8.255 6.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 22.711 7.403 5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 23.108 9.028 5.157 1.00 0.00 H new ATOM 629 N ALA A 43 15.172 6.908 4.930 1.00 0.00 N ATOM 630 CA ALA A 43 13.825 7.468 4.929 1.00 0.00 C ATOM 631 C ALA A 43 12.762 6.375 4.925 1.00 0.00 C ATOM 632 O ALA A 43 12.966 5.297 4.368 1.00 0.00 O ATOM 633 CB ALA A 43 13.642 8.388 3.730 1.00 0.00 C ATOM 0 H ALA A 43 15.313 6.139 4.274 1.00 0.00 H new ATOM 0 HA ALA A 43 13.702 8.044 5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.633 8.801 3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.367 9.200 3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.795 7.822 2.811 1.00 0.00 H new ATOM 639 N THR A 44 11.624 6.666 5.550 1.00 0.00 N ATOM 640 CA THR A 44 10.520 5.714 5.621 1.00 0.00 C ATOM 641 C THR A 44 9.209 6.384 5.224 1.00 0.00 C ATOM 642 O THR A 44 8.939 7.520 5.615 1.00 0.00 O ATOM 643 CB THR A 44 10.403 5.136 7.033 1.00 0.00 C ATOM 644 OG1 THR A 44 9.616 5.980 7.856 1.00 0.00 O ATOM 645 CG2 THR A 44 11.739 4.943 7.718 1.00 0.00 C ATOM 0 H THR A 44 11.443 7.555 6.015 1.00 0.00 H new ATOM 0 HA THR A 44 10.724 4.902 4.923 1.00 0.00 H new ATOM 0 HB THR A 44 9.937 4.159 6.905 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.551 5.593 8.754 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.581 4.530 8.714 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.352 4.256 7.134 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.248 5.903 7.800 1.00 0.00 H new ATOM 653 N MET A 45 8.396 5.680 4.441 1.00 0.00 N ATOM 654 CA MET A 45 7.117 6.219 3.993 1.00 0.00 C ATOM 655 C MET A 45 5.951 5.342 4.434 1.00 0.00 C ATOM 656 O MET A 45 6.124 4.378 5.179 1.00 0.00 O ATOM 657 CB MET A 45 7.099 6.360 2.472 1.00 0.00 C ATOM 658 CG MET A 45 7.346 7.782 1.993 1.00 0.00 C ATOM 659 SD MET A 45 5.945 8.464 1.086 1.00 0.00 S ATOM 660 CE MET A 45 6.542 10.116 0.733 1.00 0.00 C ATOM 0 H MET A 45 8.600 4.739 4.105 1.00 0.00 H new ATOM 0 HA MET A 45 7.002 7.201 4.453 1.00 0.00 H new ATOM 0 HB2 MET A 45 7.858 5.704 2.045 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.135 6.020 2.095 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.562 8.418 2.852 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.229 7.798 1.355 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.078 10.482 -0.183 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.287 10.779 1.559 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.624 10.093 0.607 1.00 0.00 H new ATOM 670 N ASP A 46 4.764 5.691 3.952 1.00 0.00 N ATOM 671 CA ASP A 46 3.548 4.956 4.271 1.00 0.00 C ATOM 672 C ASP A 46 2.410 5.412 3.367 1.00 0.00 C ATOM 673 O ASP A 46 2.461 6.502 2.796 1.00 0.00 O ATOM 674 CB ASP A 46 3.168 5.160 5.739 1.00 0.00 C ATOM 675 CG ASP A 46 2.962 6.622 6.086 1.00 0.00 C ATOM 676 OD1 ASP A 46 3.829 7.446 5.725 1.00 0.00 O ATOM 677 OD2 ASP A 46 1.934 6.942 6.718 1.00 0.00 O ATOM 0 H ASP A 46 4.618 6.488 3.332 1.00 0.00 H new ATOM 0 HA ASP A 46 3.730 3.894 4.105 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.254 4.606 5.955 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.950 4.745 6.375 1.00 0.00 H new ATOM 682 N VAL A 47 1.385 4.580 3.233 1.00 0.00 N ATOM 683 CA VAL A 47 0.247 4.919 2.388 1.00 0.00 C ATOM 684 C VAL A 47 -1.057 4.885 3.174 1.00 0.00 C ATOM 685 O VAL A 47 -1.374 3.882 3.809 1.00 0.00 O ATOM 686 CB VAL A 47 0.122 3.956 1.193 1.00 0.00 C ATOM 687 CG1 VAL A 47 -1.043 4.363 0.299 1.00 0.00 C ATOM 688 CG2 VAL A 47 1.421 3.913 0.403 1.00 0.00 C ATOM 0 H VAL A 47 1.318 3.673 3.694 1.00 0.00 H new ATOM 0 HA VAL A 47 0.427 5.929 2.021 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.076 2.955 1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.116 3.671 -0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.969 4.336 0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.878 5.373 -0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.313 3.227 -0.437 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.653 4.911 0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.229 3.570 1.050 1.00 0.00 H new ATOM 698 N PRO A 48 -1.839 5.981 3.130 1.00 0.00 N ATOM 699 CA PRO A 48 -3.112 6.071 3.827 1.00 0.00 C ATOM 700 C PRO A 48 -4.278 5.581 2.971 1.00 0.00 C ATOM 701 O PRO A 48 -5.386 6.110 3.059 1.00 0.00 O ATOM 702 CB PRO A 48 -3.233 7.567 4.085 1.00 0.00 C ATOM 703 CG PRO A 48 -2.567 8.209 2.911 1.00 0.00 C ATOM 704 CD PRO A 48 -1.545 7.222 2.390 1.00 0.00 C ATOM 0 HA PRO A 48 -3.146 5.453 4.724 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.276 7.872 4.164 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.747 7.848 5.019 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.297 8.453 2.139 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.087 9.143 3.203 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.642 7.078 1.314 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.527 7.566 2.575 1.00 0.00 H new ATOM 712 N ALA A 49 -4.021 4.573 2.135 1.00 0.00 N ATOM 713 CA ALA A 49 -5.046 4.011 1.250 1.00 0.00 C ATOM 714 C ALA A 49 -5.212 4.855 -0.010 1.00 0.00 C ATOM 715 O ALA A 49 -5.176 4.338 -1.126 1.00 0.00 O ATOM 716 CB ALA A 49 -6.379 3.874 1.977 1.00 0.00 C ATOM 0 H ALA A 49 -3.108 4.127 2.052 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.713 3.017 0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.122 3.455 1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.259 3.214 2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.711 4.855 2.317 1.00 0.00 H new ATOM 722 N GLU A 50 -5.396 6.154 0.178 1.00 0.00 N ATOM 723 CA GLU A 50 -5.569 7.079 -0.935 1.00 0.00 C ATOM 724 C GLU A 50 -6.711 6.636 -1.834 1.00 0.00 C ATOM 725 O GLU A 50 -6.526 6.435 -3.035 1.00 0.00 O ATOM 726 CB GLU A 50 -4.275 7.190 -1.742 1.00 0.00 C ATOM 727 CG GLU A 50 -4.303 8.296 -2.785 1.00 0.00 C ATOM 728 CD GLU A 50 -3.627 9.566 -2.306 1.00 0.00 C ATOM 729 OE1 GLU A 50 -3.263 9.631 -1.112 1.00 0.00 O ATOM 730 OE2 GLU A 50 -3.461 10.495 -3.124 1.00 0.00 O ATOM 0 H GLU A 50 -5.430 6.594 1.097 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.814 8.059 -0.526 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.444 7.367 -1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.083 6.239 -2.238 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.811 7.947 -3.693 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.338 8.516 -3.048 1.00 0.00 H new ATOM 737 N VAL A 51 -7.892 6.474 -1.246 1.00 0.00 N ATOM 738 CA VAL A 51 -9.063 6.039 -1.999 1.00 0.00 C ATOM 739 C VAL A 51 -10.315 6.068 -1.135 1.00 0.00 C ATOM 740 O VAL A 51 -10.305 6.616 -0.036 1.00 0.00 O ATOM 741 CB VAL A 51 -8.876 4.622 -2.594 1.00 0.00 C ATOM 742 CG1 VAL A 51 -8.724 4.711 -4.101 1.00 0.00 C ATOM 743 CG2 VAL A 51 -7.675 3.904 -1.980 1.00 0.00 C ATOM 0 H VAL A 51 -8.063 6.637 -0.254 1.00 0.00 H new ATOM 0 HA VAL A 51 -9.182 6.743 -2.823 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.764 4.037 -2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.593 3.711 -4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.616 5.166 -4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.853 5.320 -4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.578 2.913 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.769 4.479 -2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.820 3.807 -0.904 1.00 0.00 H new ATOM 753 N ALA A 52 -11.401 5.501 -1.646 1.00 0.00 N ATOM 754 CA ALA A 52 -12.666 5.490 -0.916 1.00 0.00 C ATOM 755 C ALA A 52 -13.573 4.356 -1.366 1.00 0.00 C ATOM 756 O ALA A 52 -14.632 4.592 -1.946 1.00 0.00 O ATOM 757 CB ALA A 52 -13.377 6.803 -1.122 1.00 0.00 C ATOM 0 H ALA A 52 -11.433 5.045 -2.558 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.437 5.340 0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.321 6.795 -0.577 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.752 7.617 -0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.572 6.948 -2.184 1.00 0.00 H new ATOM 763 N GLY A 53 -13.156 3.128 -1.113 1.00 0.00 N ATOM 764 CA GLY A 53 -13.956 1.988 -1.522 1.00 0.00 C ATOM 765 C GLY A 53 -13.600 0.713 -0.780 1.00 0.00 C ATOM 766 O GLY A 53 -13.352 0.732 0.425 1.00 0.00 O ATOM 0 H GLY A 53 -12.285 2.897 -0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.010 2.214 -1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.827 1.826 -2.592 1.00 0.00 H new ATOM 770 N VAL A 54 -13.579 -0.398 -1.508 1.00 0.00 N ATOM 771 CA VAL A 54 -13.253 -1.696 -0.929 1.00 0.00 C ATOM 772 C VAL A 54 -12.102 -2.349 -1.687 1.00 0.00 C ATOM 773 O VAL A 54 -12.083 -2.341 -2.918 1.00 0.00 O ATOM 774 CB VAL A 54 -14.471 -2.639 -0.953 1.00 0.00 C ATOM 775 CG1 VAL A 54 -14.114 -3.993 -0.357 1.00 0.00 C ATOM 776 CG2 VAL A 54 -15.644 -2.015 -0.214 1.00 0.00 C ATOM 0 H VAL A 54 -13.785 -0.425 -2.507 1.00 0.00 H new ATOM 0 HA VAL A 54 -12.958 -1.525 0.106 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.766 -2.793 -1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -14.988 -4.644 -0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.308 -4.444 -0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -13.790 -3.862 0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.495 -2.696 -0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.363 -1.827 0.822 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -15.916 -1.074 -0.692 1.00 0.00 H new ATOM 786 N VAL A 55 -11.143 -2.911 -0.956 1.00 0.00 N ATOM 787 CA VAL A 55 -9.997 -3.555 -1.587 1.00 0.00 C ATOM 788 C VAL A 55 -10.385 -4.869 -2.246 1.00 0.00 C ATOM 789 O VAL A 55 -11.223 -5.615 -1.740 1.00 0.00 O ATOM 790 CB VAL A 55 -8.852 -3.826 -0.592 1.00 0.00 C ATOM 791 CG1 VAL A 55 -7.672 -4.484 -1.306 1.00 0.00 C ATOM 792 CG2 VAL A 55 -8.418 -2.536 0.087 1.00 0.00 C ATOM 0 H VAL A 55 -11.137 -2.933 0.064 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.647 -2.853 -2.344 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.214 -4.510 0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.871 -4.669 -0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.993 -5.429 -1.744 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.309 -3.824 -2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.609 -2.747 0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.072 -1.827 -0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.262 -2.108 0.628 1.00 0.00 H new ATOM 802 N LYS A 56 -9.745 -5.149 -3.372 1.00 0.00 N ATOM 803 CA LYS A 56 -9.982 -6.379 -4.111 1.00 0.00 C ATOM 804 C LYS A 56 -8.713 -7.200 -4.133 1.00 0.00 C ATOM 805 O LYS A 56 -8.725 -8.405 -3.884 1.00 0.00 O ATOM 806 CB LYS A 56 -10.409 -6.100 -5.558 1.00 0.00 C ATOM 807 CG LYS A 56 -10.652 -4.631 -5.871 1.00 0.00 C ATOM 808 CD LYS A 56 -11.999 -4.162 -5.345 1.00 0.00 C ATOM 809 CE LYS A 56 -13.149 -4.771 -6.131 1.00 0.00 C ATOM 810 NZ LYS A 56 -14.342 -5.015 -5.273 1.00 0.00 N ATOM 0 H LYS A 56 -9.051 -4.534 -3.797 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.787 -6.918 -3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.639 -6.479 -6.230 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.321 -6.659 -5.769 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.858 -4.028 -5.429 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.608 -4.476 -6.949 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.093 -4.431 -4.293 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.054 -3.075 -5.402 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.421 -4.105 -6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.825 -5.711 -6.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -15.145 -5.302 -5.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.130 -5.770 -4.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.585 -4.143 -4.761 1.00 0.00 H new ATOM 824 N GLU A 57 -7.613 -6.531 -4.448 1.00 0.00 N ATOM 825 CA GLU A 57 -6.331 -7.189 -4.519 1.00 0.00 C ATOM 826 C GLU A 57 -5.416 -6.751 -3.380 1.00 0.00 C ATOM 827 O GLU A 57 -5.743 -5.838 -2.621 1.00 0.00 O ATOM 828 CB GLU A 57 -5.665 -6.915 -5.867 1.00 0.00 C ATOM 829 CG GLU A 57 -5.965 -7.970 -6.919 1.00 0.00 C ATOM 830 CD GLU A 57 -5.628 -7.506 -8.322 1.00 0.00 C ATOM 831 OE1 GLU A 57 -4.510 -6.986 -8.523 1.00 0.00 O ATOM 832 OE2 GLU A 57 -6.482 -7.661 -9.220 1.00 0.00 O ATOM 0 H GLU A 57 -7.590 -5.533 -4.657 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.502 -8.261 -4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.994 -5.943 -6.235 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.586 -6.853 -5.724 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.399 -8.874 -6.693 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.021 -8.235 -6.872 1.00 0.00 H new ATOM 839 N VAL A 58 -4.270 -7.413 -3.267 1.00 0.00 N ATOM 840 CA VAL A 58 -3.302 -7.105 -2.222 1.00 0.00 C ATOM 841 C VAL A 58 -1.950 -7.730 -2.534 1.00 0.00 C ATOM 842 O VAL A 58 -1.856 -8.926 -2.815 1.00 0.00 O ATOM 843 CB VAL A 58 -3.780 -7.611 -0.851 1.00 0.00 C ATOM 844 CG1 VAL A 58 -4.023 -9.112 -0.896 1.00 0.00 C ATOM 845 CG2 VAL A 58 -2.771 -7.259 0.231 1.00 0.00 C ATOM 0 H VAL A 58 -3.988 -8.170 -3.890 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.203 -6.020 -2.187 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.722 -7.118 -0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.361 -9.455 0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.786 -9.335 -1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.097 -9.623 -1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.127 -7.625 1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.812 -7.722 -0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.650 -6.177 0.277 1.00 0.00 H new ATOM 855 N LYS A 59 -0.906 -6.916 -2.486 1.00 0.00 N ATOM 856 CA LYS A 59 0.441 -7.387 -2.765 1.00 0.00 C ATOM 857 C LYS A 59 1.456 -6.646 -1.909 1.00 0.00 C ATOM 858 O LYS A 59 2.158 -5.755 -2.387 1.00 0.00 O ATOM 859 CB LYS A 59 0.762 -7.198 -4.242 1.00 0.00 C ATOM 860 CG LYS A 59 -0.157 -7.989 -5.157 1.00 0.00 C ATOM 861 CD LYS A 59 -1.268 -7.118 -5.714 1.00 0.00 C ATOM 862 CE LYS A 59 -1.249 -7.095 -7.234 1.00 0.00 C ATOM 863 NZ LYS A 59 -1.415 -8.457 -7.812 1.00 0.00 N ATOM 0 H LYS A 59 -0.967 -5.924 -2.256 1.00 0.00 H new ATOM 0 HA LYS A 59 0.496 -8.448 -2.521 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.689 -6.139 -4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.794 -7.499 -4.425 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.421 -8.413 -5.978 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.589 -8.825 -4.607 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.232 -7.490 -5.367 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.162 -6.103 -5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.047 -6.447 -7.597 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.308 -6.666 -7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.844 -8.383 -8.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.485 -8.917 -7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.031 -9.023 -7.195 1.00 0.00 H new ATOM 877 N VAL A 60 1.516 -7.012 -0.637 1.00 0.00 N ATOM 878 CA VAL A 60 2.432 -6.374 0.294 1.00 0.00 C ATOM 879 C VAL A 60 2.428 -7.107 1.636 1.00 0.00 C ATOM 880 O VAL A 60 1.460 -7.779 1.989 1.00 0.00 O ATOM 881 CB VAL A 60 2.069 -4.873 0.484 1.00 0.00 C ATOM 882 CG1 VAL A 60 0.560 -4.675 0.424 1.00 0.00 C ATOM 883 CG2 VAL A 60 2.639 -4.302 1.781 1.00 0.00 C ATOM 0 H VAL A 60 0.941 -7.748 -0.227 1.00 0.00 H new ATOM 0 HA VAL A 60 3.438 -6.428 -0.123 1.00 0.00 H new ATOM 0 HB VAL A 60 2.528 -4.323 -0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.326 -3.619 0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.188 -5.008 -0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.085 -5.256 1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.360 -3.252 1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.239 -4.857 2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.725 -4.389 1.770 1.00 0.00 H new ATOM 893 N LYS A 61 3.523 -6.970 2.371 1.00 0.00 N ATOM 894 CA LYS A 61 3.663 -7.615 3.671 1.00 0.00 C ATOM 895 C LYS A 61 4.768 -6.953 4.487 1.00 0.00 C ATOM 896 O LYS A 61 5.162 -5.820 4.211 1.00 0.00 O ATOM 897 CB LYS A 61 3.964 -9.104 3.494 1.00 0.00 C ATOM 898 CG LYS A 61 3.264 -9.993 4.508 1.00 0.00 C ATOM 899 CD LYS A 61 2.317 -10.970 3.832 1.00 0.00 C ATOM 900 CE LYS A 61 2.057 -12.188 4.703 1.00 0.00 C ATOM 901 NZ LYS A 61 1.151 -11.873 5.842 1.00 0.00 N ATOM 0 H LYS A 61 4.331 -6.416 2.088 1.00 0.00 H new ATOM 0 HA LYS A 61 2.722 -7.504 4.209 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.667 -9.409 2.490 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.040 -9.260 3.569 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.007 -10.544 5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.708 -9.375 5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.373 -10.471 3.612 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.739 -11.287 2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.617 -12.980 4.097 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.004 -12.569 5.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.999 -12.730 6.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.582 -11.135 6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.238 -11.534 5.476 1.00 0.00 H new ATOM 915 N VAL A 62 5.264 -7.666 5.491 1.00 0.00 N ATOM 916 CA VAL A 62 6.324 -7.144 6.345 1.00 0.00 C ATOM 917 C VAL A 62 7.638 -7.880 6.106 1.00 0.00 C ATOM 918 O VAL A 62 8.047 -8.719 6.910 1.00 0.00 O ATOM 919 CB VAL A 62 5.945 -7.256 7.834 1.00 0.00 C ATOM 920 CG1 VAL A 62 7.056 -6.706 8.715 1.00 0.00 C ATOM 921 CG2 VAL A 62 4.634 -6.534 8.106 1.00 0.00 C ATOM 0 H VAL A 62 4.950 -8.606 5.734 1.00 0.00 H new ATOM 0 HA VAL A 62 6.452 -6.093 6.087 1.00 0.00 H new ATOM 0 HB VAL A 62 5.812 -8.310 8.076 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.768 -6.795 9.762 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.972 -7.271 8.542 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.226 -5.657 8.473 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.382 -6.623 9.163 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.738 -5.481 7.846 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.842 -6.980 7.505 1.00 0.00 H new ATOM 931 N GLY A 63 8.301 -7.556 4.999 1.00 0.00 N ATOM 932 CA GLY A 63 9.565 -8.195 4.678 1.00 0.00 C ATOM 933 C GLY A 63 9.661 -8.610 3.223 1.00 0.00 C ATOM 934 O GLY A 63 10.159 -9.691 2.910 1.00 0.00 O ATOM 0 H GLY A 63 7.986 -6.863 4.320 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.382 -7.512 4.911 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.694 -9.073 5.311 1.00 0.00 H new ATOM 938 N ASP A 64 9.185 -7.749 2.328 1.00 0.00 N ATOM 939 CA ASP A 64 9.223 -8.036 0.899 1.00 0.00 C ATOM 940 C ASP A 64 9.849 -6.878 0.127 1.00 0.00 C ATOM 941 O ASP A 64 9.580 -5.711 0.412 1.00 0.00 O ATOM 942 CB ASP A 64 7.813 -8.316 0.374 1.00 0.00 C ATOM 943 CG ASP A 64 6.829 -7.222 0.739 1.00 0.00 C ATOM 944 OD1 ASP A 64 7.014 -6.584 1.796 1.00 0.00 O ATOM 945 OD2 ASP A 64 5.871 -7.005 -0.033 1.00 0.00 O ATOM 0 H ASP A 64 8.769 -6.849 2.567 1.00 0.00 H new ATOM 0 HA ASP A 64 9.839 -8.922 0.749 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.847 -8.422 -0.710 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.461 -9.266 0.777 1.00 0.00 H new ATOM 950 N LYS A 65 10.686 -7.211 -0.851 1.00 0.00 N ATOM 951 CA LYS A 65 11.353 -6.203 -1.668 1.00 0.00 C ATOM 952 C LYS A 65 10.366 -5.538 -2.619 1.00 0.00 C ATOM 953 O LYS A 65 9.878 -6.163 -3.560 1.00 0.00 O ATOM 954 CB LYS A 65 12.497 -6.834 -2.463 1.00 0.00 C ATOM 955 CG LYS A 65 13.781 -6.989 -1.664 1.00 0.00 C ATOM 956 CD LYS A 65 14.941 -6.270 -2.333 1.00 0.00 C ATOM 957 CE LYS A 65 15.787 -7.226 -3.159 1.00 0.00 C ATOM 958 NZ LYS A 65 16.905 -7.806 -2.363 1.00 0.00 N ATOM 0 H LYS A 65 10.919 -8.173 -1.097 1.00 0.00 H new ATOM 0 HA LYS A 65 11.760 -5.442 -1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.182 -7.814 -2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.698 -6.222 -3.342 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.636 -6.592 -0.659 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.020 -8.047 -1.558 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.557 -5.476 -2.973 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.563 -5.795 -1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.158 -8.030 -3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.191 -6.699 -4.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.458 -8.452 -2.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 17.520 -7.041 -2.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.518 -8.330 -1.552 1.00 0.00 H new ATOM 972 N ILE A 66 10.075 -4.269 -2.364 1.00 0.00 N ATOM 973 CA ILE A 66 9.143 -3.515 -3.190 1.00 0.00 C ATOM 974 C ILE A 66 9.669 -2.098 -3.445 1.00 0.00 C ATOM 975 O ILE A 66 10.628 -1.665 -2.815 1.00 0.00 O ATOM 976 CB ILE A 66 7.726 -3.502 -2.532 1.00 0.00 C ATOM 977 CG1 ILE A 66 6.749 -4.290 -3.400 1.00 0.00 C ATOM 978 CG2 ILE A 66 7.195 -2.093 -2.278 1.00 0.00 C ATOM 979 CD1 ILE A 66 7.266 -5.661 -3.777 1.00 0.00 C ATOM 0 H ILE A 66 10.473 -3.739 -1.589 1.00 0.00 H new ATOM 0 HA ILE A 66 9.053 -4.004 -4.160 1.00 0.00 H new ATOM 0 HB ILE A 66 7.822 -3.974 -1.554 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.804 -4.398 -2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.540 -3.724 -4.308 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.208 -2.153 -1.820 1.00 0.00 H new ATOM 0 HG22 ILE A 66 7.874 -1.564 -1.609 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.124 -1.555 -3.223 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.527 -6.172 -4.394 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.196 -5.558 -4.336 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.448 -6.242 -2.873 1.00 0.00 H new ATOM 991 N SER A 67 9.031 -1.384 -4.368 1.00 0.00 N ATOM 992 CA SER A 67 9.442 -0.023 -4.691 1.00 0.00 C ATOM 993 C SER A 67 8.269 0.800 -5.216 1.00 0.00 C ATOM 994 O SER A 67 7.245 0.253 -5.623 1.00 0.00 O ATOM 995 CB SER A 67 10.570 -0.039 -5.722 1.00 0.00 C ATOM 996 OG SER A 67 10.652 -1.296 -6.370 1.00 0.00 O ATOM 0 H SER A 67 8.231 -1.724 -4.903 1.00 0.00 H new ATOM 0 HA SER A 67 9.802 0.443 -3.774 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.402 0.744 -6.461 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.518 0.183 -5.232 1.00 0.00 H new ATOM 0 HG SER A 67 11.267 -1.233 -7.130 1.00 0.00 H new ATOM 1002 N GLU A 68 8.432 2.122 -5.203 1.00 0.00 N ATOM 1003 CA GLU A 68 7.397 3.040 -5.676 1.00 0.00 C ATOM 1004 C GLU A 68 6.748 2.536 -6.963 1.00 0.00 C ATOM 1005 O GLU A 68 7.356 2.575 -8.033 1.00 0.00 O ATOM 1006 CB GLU A 68 7.991 4.431 -5.907 1.00 0.00 C ATOM 1007 CG GLU A 68 9.347 4.411 -6.593 1.00 0.00 C ATOM 1008 CD GLU A 68 9.282 4.890 -8.029 1.00 0.00 C ATOM 1009 OE1 GLU A 68 8.159 5.010 -8.565 1.00 0.00 O ATOM 1010 OE2 GLU A 68 10.351 5.149 -8.618 1.00 0.00 O ATOM 0 H GLU A 68 9.277 2.584 -4.867 1.00 0.00 H new ATOM 0 HA GLU A 68 6.627 3.096 -4.907 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.297 5.017 -6.510 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.087 4.939 -4.948 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.041 5.040 -6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.746 3.397 -6.570 1.00 0.00 H new ATOM 1017 N GLY A 69 5.510 2.068 -6.852 1.00 0.00 N ATOM 1018 CA GLY A 69 4.799 1.569 -8.013 1.00 0.00 C ATOM 1019 C GLY A 69 4.839 0.057 -8.121 1.00 0.00 C ATOM 1020 O GLY A 69 5.499 -0.489 -9.005 1.00 0.00 O ATOM 0 H GLY A 69 4.986 2.025 -5.978 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.761 1.898 -7.967 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.232 2.005 -8.914 1.00 0.00 H new ATOM 1024 N GLY A 70 4.130 -0.623 -7.223 1.00 0.00 N ATOM 1025 CA GLY A 70 4.106 -2.073 -7.250 1.00 0.00 C ATOM 1026 C GLY A 70 2.701 -2.628 -7.151 1.00 0.00 C ATOM 1027 O GLY A 70 2.507 -3.782 -6.767 1.00 0.00 O ATOM 0 H GLY A 70 3.575 -0.197 -6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.569 -2.424 -8.172 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.705 -2.459 -6.426 1.00 0.00 H new ATOM 1031 N LEU A 71 1.713 -1.803 -7.493 1.00 0.00 N ATOM 1032 CA LEU A 71 0.311 -2.210 -7.437 1.00 0.00 C ATOM 1033 C LEU A 71 0.018 -2.978 -6.152 1.00 0.00 C ATOM 1034 O LEU A 71 -0.431 -4.122 -6.184 1.00 0.00 O ATOM 1035 CB LEU A 71 -0.052 -3.067 -8.654 1.00 0.00 C ATOM 1036 CG LEU A 71 -1.450 -3.702 -8.623 1.00 0.00 C ATOM 1037 CD1 LEU A 71 -2.459 -2.780 -7.946 1.00 0.00 C ATOM 1038 CD2 LEU A 71 -1.906 -4.044 -10.033 1.00 0.00 C ATOM 0 H LEU A 71 1.859 -0.845 -7.813 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.300 -1.307 -7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.027 -2.449 -9.548 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.687 -3.862 -8.750 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.391 -4.621 -8.040 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.439 -3.256 -7.939 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.143 -2.585 -6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.517 -1.839 -8.493 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.898 -4.493 -9.996 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.941 -3.136 -10.634 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.205 -4.749 -10.481 1.00 0.00 H new ATOM 1050 N ILE A 72 0.286 -2.337 -5.023 1.00 0.00 N ATOM 1051 CA ILE A 72 0.062 -2.951 -3.725 1.00 0.00 C ATOM 1052 C ILE A 72 -1.346 -3.545 -3.632 1.00 0.00 C ATOM 1053 O ILE A 72 -1.517 -4.763 -3.663 1.00 0.00 O ATOM 1054 CB ILE A 72 0.312 -1.928 -2.585 1.00 0.00 C ATOM 1055 CG1 ILE A 72 1.802 -1.880 -2.262 1.00 0.00 C ATOM 1056 CG2 ILE A 72 -0.486 -2.254 -1.321 1.00 0.00 C ATOM 1057 CD1 ILE A 72 2.286 -0.499 -1.899 1.00 0.00 C ATOM 0 H ILE A 72 0.660 -1.389 -4.982 1.00 0.00 H new ATOM 0 HA ILE A 72 0.774 -3.768 -3.610 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.029 -0.954 -2.936 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.010 -2.560 -1.436 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.366 -2.241 -3.122 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.275 -1.508 -0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.551 -2.246 -1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.201 -3.240 -0.955 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.353 -0.533 -1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.108 0.180 -2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.747 -0.144 -1.021 1.00 0.00 H new ATOM 1069 N VAL A 73 -2.348 -2.682 -3.500 1.00 0.00 N ATOM 1070 CA VAL A 73 -3.725 -3.142 -3.386 1.00 0.00 C ATOM 1071 C VAL A 73 -4.679 -2.330 -4.257 1.00 0.00 C ATOM 1072 O VAL A 73 -4.515 -1.122 -4.430 1.00 0.00 O ATOM 1073 CB VAL A 73 -4.209 -3.086 -1.923 1.00 0.00 C ATOM 1074 CG1 VAL A 73 -3.275 -3.880 -1.022 1.00 0.00 C ATOM 1075 CG2 VAL A 73 -4.319 -1.645 -1.447 1.00 0.00 C ATOM 0 H VAL A 73 -2.233 -1.669 -3.470 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.733 -4.174 -3.736 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.200 -3.537 -1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.632 -3.830 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.252 -4.920 -1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.271 -3.460 -1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.662 -1.629 -0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.343 -1.164 -1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.031 -1.108 -2.074 1.00 0.00 H new ATOM 1085 N VAL A 74 -5.688 -3.013 -4.787 1.00 0.00 N ATOM 1086 CA VAL A 74 -6.701 -2.388 -5.629 1.00 0.00 C ATOM 1087 C VAL A 74 -7.995 -2.231 -4.840 1.00 0.00 C ATOM 1088 O VAL A 74 -8.392 -3.140 -4.112 1.00 0.00 O ATOM 1089 CB VAL A 74 -6.963 -3.237 -6.894 1.00 0.00 C ATOM 1090 CG1 VAL A 74 -8.096 -2.658 -7.733 1.00 0.00 C ATOM 1091 CG2 VAL A 74 -5.693 -3.359 -7.722 1.00 0.00 C ATOM 0 H VAL A 74 -5.826 -4.014 -4.645 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.338 -1.408 -5.939 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.269 -4.232 -6.570 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.252 -3.281 -8.614 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.011 -2.632 -7.141 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.837 -1.646 -8.045 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.893 -3.960 -8.609 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.359 -2.366 -8.024 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.916 -3.839 -7.127 1.00 0.00 H new ATOM 1101 N VAL A 75 -8.639 -1.076 -4.964 1.00 0.00 N ATOM 1102 CA VAL A 75 -9.871 -0.823 -4.235 1.00 0.00 C ATOM 1103 C VAL A 75 -11.005 -0.381 -5.152 1.00 0.00 C ATOM 1104 O VAL A 75 -10.790 -0.050 -6.317 1.00 0.00 O ATOM 1105 CB VAL A 75 -9.661 0.246 -3.150 1.00 0.00 C ATOM 1106 CG1 VAL A 75 -9.079 -0.378 -1.892 1.00 0.00 C ATOM 1107 CG2 VAL A 75 -8.767 1.363 -3.665 1.00 0.00 C ATOM 0 H VAL A 75 -8.330 -0.307 -5.558 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.151 -1.769 -3.771 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.630 0.677 -2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.937 0.394 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.763 -1.137 -1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.119 -0.838 -2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.630 2.110 -2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.798 0.952 -3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.231 1.829 -4.534 1.00 0.00 H new ATOM 1117 N GLU A 76 -12.216 -0.382 -4.602 1.00 0.00 N ATOM 1118 CA GLU A 76 -13.405 0.013 -5.346 1.00 0.00 C ATOM 1119 C GLU A 76 -13.817 1.442 -4.990 1.00 0.00 C ATOM 1120 O GLU A 76 -14.988 1.712 -4.725 1.00 0.00 O ATOM 1121 CB GLU A 76 -14.554 -0.957 -5.051 1.00 0.00 C ATOM 1122 CG GLU A 76 -15.051 -1.700 -6.280 1.00 0.00 C ATOM 1123 CD GLU A 76 -16.325 -2.479 -6.013 1.00 0.00 C ATOM 1124 OE1 GLU A 76 -16.622 -2.742 -4.829 1.00 0.00 O ATOM 1125 OE2 GLU A 76 -17.025 -2.824 -6.988 1.00 0.00 O ATOM 0 H GLU A 76 -12.399 -0.654 -3.636 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.174 -0.022 -6.411 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.225 -1.682 -4.306 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.383 -0.403 -4.611 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.227 -0.987 -7.085 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -14.276 -2.385 -6.625 1.00 0.00 H new ATOM 1132 N ALA A 77 -12.838 2.349 -4.975 1.00 0.00 N ATOM 1133 CA ALA A 77 -13.070 3.751 -4.645 1.00 0.00 C ATOM 1134 C ALA A 77 -14.412 4.257 -5.164 1.00 0.00 C ATOM 1135 O ALA A 77 -14.862 3.867 -6.240 1.00 0.00 O ATOM 1136 CB ALA A 77 -11.935 4.601 -5.181 1.00 0.00 C ATOM 0 H ALA A 77 -11.866 2.130 -5.191 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.103 3.832 -3.559 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.114 5.647 -4.931 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.995 4.277 -4.734 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.878 4.491 -6.264 1.00 0.00 H new