USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 705 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 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 66 SER OG : rot 65:sc= 0.984 USER MOD Single : A 36 ASN : amide:sc= -0.286 K(o=-0.29,f=-2.3!) USER MOD Single : A 43 MET CE :methyl -108:sc=-0.000271 (180deg=-0.14) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 25:sc= 1.06 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -6.16! C(o=-6.2!,f=-16!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -94:sc= -0.147 (180deg=-1.06) USER MOD Single : A 100 SER OG : rot 180:sc= -1.49 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -8.19! C(o=-8.2!,f=-6.5!) USER MOD Single : A 109 SER OG : rot -93:sc= 0.103 USER MOD Single : A 110 SER OG : rot 83:sc= -2.41! USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.0235 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 147:sc= -4.39! USER MOD Single : A 125 THR OG1 : rot 180:sc=-0.00167 USER MOD Single : A 126 SER OG : rot 180:sc= 0.196 USER MOD ----------------------------------------------------------------- ATOM 12 N ASN A 36 -2.459 -15.220 -9.889 1.00 0.00 N ATOM 13 CA ASN A 36 -1.757 -15.203 -8.573 1.00 0.00 C ATOM 14 C ASN A 36 -0.851 -13.972 -8.468 1.00 0.00 C ATOM 15 O ASN A 36 -1.214 -12.973 -7.878 1.00 0.00 O ATOM 16 CB ASN A 36 -0.924 -16.485 -8.556 1.00 0.00 C ATOM 17 CG ASN A 36 -1.502 -17.455 -7.524 1.00 0.00 C ATOM 18 OD1 ASN A 36 -2.625 -17.297 -7.087 1.00 0.00 O ATOM 19 ND2 ASN A 36 -0.778 -18.459 -7.113 1.00 0.00 N ATOM 0 HA ASN A 36 -2.452 -15.155 -7.735 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.925 -16.945 -9.544 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.113 -16.254 -8.313 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.154 -19.111 -6.425 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.165 -18.592 -7.480 1.00 0.00 H new ATOM 26 N ALA A 37 0.328 -14.051 -9.027 1.00 0.00 N ATOM 27 CA ALA A 37 1.283 -12.911 -8.969 1.00 0.00 C ATOM 28 C ALA A 37 0.546 -11.569 -9.022 1.00 0.00 C ATOM 29 O ALA A 37 -0.230 -11.310 -9.921 1.00 0.00 O ATOM 30 CB ALA A 37 2.172 -13.081 -10.201 1.00 0.00 C ATOM 0 H ALA A 37 0.672 -14.870 -9.528 1.00 0.00 H new ATOM 0 HA ALA A 37 1.854 -12.910 -8.041 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.907 -12.277 -10.233 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.686 -14.041 -10.149 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.557 -13.047 -11.101 1.00 0.00 H new ATOM 36 N VAL A 38 0.784 -10.715 -8.064 1.00 0.00 N ATOM 37 CA VAL A 38 0.098 -9.389 -8.056 1.00 0.00 C ATOM 38 C VAL A 38 0.929 -8.357 -8.824 1.00 0.00 C ATOM 39 O VAL A 38 2.130 -8.270 -8.660 1.00 0.00 O ATOM 40 CB VAL A 38 0.003 -9.004 -6.580 1.00 0.00 C ATOM 41 CG1 VAL A 38 -0.594 -7.602 -6.456 1.00 0.00 C ATOM 42 CG2 VAL A 38 -0.892 -10.005 -5.847 1.00 0.00 C ATOM 0 H VAL A 38 1.424 -10.877 -7.286 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.881 -9.428 -8.534 1.00 0.00 H new ATOM 0 HB VAL A 38 0.999 -9.016 -6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.662 -7.327 -5.403 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.043 -6.888 -6.977 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.590 -7.590 -6.899 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.959 -9.730 -4.794 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.888 -9.994 -6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.467 -11.005 -5.934 1.00 0.00 H new ATOM 52 N VAL A 39 0.303 -7.570 -9.657 1.00 0.00 N ATOM 53 CA VAL A 39 1.069 -6.545 -10.424 1.00 0.00 C ATOM 54 C VAL A 39 0.602 -5.138 -10.061 1.00 0.00 C ATOM 55 O VAL A 39 -0.574 -4.836 -10.093 1.00 0.00 O ATOM 56 CB VAL A 39 0.770 -6.816 -11.903 1.00 0.00 C ATOM 57 CG1 VAL A 39 -0.657 -6.361 -12.230 1.00 0.00 C ATOM 58 CG2 VAL A 39 1.755 -6.023 -12.771 1.00 0.00 C ATOM 0 H VAL A 39 -0.700 -7.592 -9.839 1.00 0.00 H new ATOM 0 HA VAL A 39 2.134 -6.606 -10.201 1.00 0.00 H new ATOM 0 HB VAL A 39 0.871 -7.883 -12.103 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.868 -6.554 -13.282 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.365 -6.911 -11.610 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.753 -5.294 -12.031 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.546 -6.213 -13.824 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.646 -4.958 -12.565 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.774 -6.334 -12.541 1.00 0.00 H new ATOM 68 N LEU A 40 1.518 -4.266 -9.757 1.00 0.00 N ATOM 69 CA LEU A 40 1.143 -2.867 -9.445 1.00 0.00 C ATOM 70 C LEU A 40 1.546 -2.014 -10.654 1.00 0.00 C ATOM 71 O LEU A 40 2.569 -2.255 -11.264 1.00 0.00 O ATOM 72 CB LEU A 40 1.968 -2.503 -8.211 1.00 0.00 C ATOM 73 CG LEU A 40 1.921 -0.994 -8.007 1.00 0.00 C ATOM 74 CD1 LEU A 40 0.499 -0.575 -7.628 1.00 0.00 C ATOM 75 CD2 LEU A 40 2.886 -0.597 -6.888 1.00 0.00 C ATOM 0 H LEU A 40 2.517 -4.466 -9.712 1.00 0.00 H new ATOM 0 HA LEU A 40 0.081 -2.716 -9.252 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.575 -3.014 -7.332 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.999 -2.833 -8.337 1.00 0.00 H new ATOM 0 HG LEU A 40 2.214 -0.494 -8.931 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.465 0.505 -7.482 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.188 -0.855 -8.427 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.206 -1.076 -6.705 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.851 0.483 -6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.596 -1.096 -5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.899 -0.894 -7.159 1.00 0.00 H new ATOM 87 N VAL A 41 0.764 -1.045 -11.038 1.00 0.00 N ATOM 88 CA VAL A 41 1.145 -0.237 -12.237 1.00 0.00 C ATOM 89 C VAL A 41 1.021 1.257 -11.949 1.00 0.00 C ATOM 90 O VAL A 41 0.039 1.717 -11.402 1.00 0.00 O ATOM 91 CB VAL A 41 0.158 -0.652 -13.340 1.00 0.00 C ATOM 92 CG1 VAL A 41 0.489 0.082 -14.631 1.00 0.00 C ATOM 93 CG2 VAL A 41 0.247 -2.166 -13.579 1.00 0.00 C ATOM 0 H VAL A 41 -0.110 -0.778 -10.584 1.00 0.00 H new ATOM 0 HA VAL A 41 2.181 -0.415 -12.526 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.853 -0.394 -13.024 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.214 -0.216 -15.409 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.415 1.157 -14.468 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.503 -0.169 -14.942 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.455 -2.453 -14.362 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.260 -2.427 -13.887 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.000 -2.695 -12.658 1.00 0.00 H new ATOM 103 N LEU A 42 2.009 2.020 -12.327 1.00 0.00 N ATOM 104 CA LEU A 42 1.952 3.474 -12.093 1.00 0.00 C ATOM 105 C LEU A 42 2.521 4.232 -13.296 1.00 0.00 C ATOM 106 O LEU A 42 2.710 3.677 -14.360 1.00 0.00 O ATOM 107 CB LEU A 42 2.798 3.716 -10.851 1.00 0.00 C ATOM 108 CG LEU A 42 1.973 3.403 -9.604 1.00 0.00 C ATOM 109 CD1 LEU A 42 2.870 3.484 -8.369 1.00 0.00 C ATOM 110 CD2 LEU A 42 0.841 4.425 -9.481 1.00 0.00 C ATOM 0 H LEU A 42 2.855 1.688 -12.790 1.00 0.00 H new ATOM 0 HA LEU A 42 0.929 3.826 -11.957 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.689 3.089 -10.877 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.137 4.752 -10.825 1.00 0.00 H new ATOM 0 HG LEU A 42 1.554 2.400 -9.682 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.283 3.261 -7.478 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.681 2.761 -8.460 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.287 4.488 -8.287 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.249 4.207 -8.593 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.263 5.427 -9.399 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.204 4.371 -10.364 1.00 0.00 H new ATOM 122 N MET A 43 2.791 5.497 -13.134 1.00 0.00 N ATOM 123 CA MET A 43 3.344 6.302 -14.271 1.00 0.00 C ATOM 124 C MET A 43 4.858 6.496 -14.118 1.00 0.00 C ATOM 125 O MET A 43 5.429 6.241 -13.079 1.00 0.00 O ATOM 126 CB MET A 43 2.617 7.645 -14.196 1.00 0.00 C ATOM 127 CG MET A 43 3.179 8.471 -13.037 1.00 0.00 C ATOM 128 SD MET A 43 2.450 10.127 -13.065 1.00 0.00 S ATOM 129 CE MET A 43 3.545 10.837 -14.319 1.00 0.00 C ATOM 0 H MET A 43 2.654 6.013 -12.265 1.00 0.00 H new ATOM 0 HA MET A 43 3.193 5.807 -15.231 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.737 8.187 -15.134 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.548 7.484 -14.056 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.959 7.982 -12.088 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.264 8.539 -13.117 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.230 11.541 -13.847 1.00 0.00 H new ATOM 0 HE2 MET A 43 4.115 10.041 -14.797 1.00 0.00 H new ATOM 0 HE3 MET A 43 2.950 11.358 -15.069 1.00 0.00 H new ATOM 139 N LYS A 44 5.511 6.940 -15.158 1.00 0.00 N ATOM 140 CA LYS A 44 6.989 7.141 -15.097 1.00 0.00 C ATOM 141 C LYS A 44 7.371 8.241 -14.098 1.00 0.00 C ATOM 142 O LYS A 44 7.469 9.400 -14.449 1.00 0.00 O ATOM 143 CB LYS A 44 7.385 7.557 -16.515 1.00 0.00 C ATOM 144 CG LYS A 44 7.991 6.363 -17.251 1.00 0.00 C ATOM 145 CD LYS A 44 9.413 6.125 -16.745 1.00 0.00 C ATOM 146 CE LYS A 44 10.357 7.149 -17.379 1.00 0.00 C ATOM 147 NZ LYS A 44 11.114 6.386 -18.411 1.00 0.00 N ATOM 0 H LYS A 44 5.082 7.174 -16.053 1.00 0.00 H new ATOM 0 HA LYS A 44 7.499 6.238 -14.762 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.512 7.924 -17.054 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.103 8.376 -16.477 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.382 5.474 -17.089 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.002 6.550 -18.325 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.443 6.210 -15.659 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.735 5.114 -16.995 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.802 7.974 -17.826 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.028 7.581 -16.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.783 7.021 -18.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.637 5.611 -17.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.450 5.992 -19.108 1.00 0.00 H new ATOM 161 N SER A 45 7.606 7.885 -12.863 1.00 0.00 N ATOM 162 CA SER A 45 8.006 8.911 -11.856 1.00 0.00 C ATOM 163 C SER A 45 9.520 9.169 -11.948 1.00 0.00 C ATOM 164 O SER A 45 10.092 9.863 -11.133 1.00 0.00 O ATOM 165 CB SER A 45 7.639 8.308 -10.500 1.00 0.00 C ATOM 166 OG SER A 45 8.549 8.778 -9.513 1.00 0.00 O ATOM 0 H SER A 45 7.539 6.931 -12.509 1.00 0.00 H new ATOM 0 HA SER A 45 7.508 9.867 -12.015 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.619 8.583 -10.231 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.672 7.220 -10.552 1.00 0.00 H new ATOM 0 HG SER A 45 8.924 9.638 -9.797 1.00 0.00 H new ATOM 172 N ASP A 46 10.159 8.624 -12.957 1.00 0.00 N ATOM 173 CA ASP A 46 11.632 8.835 -13.155 1.00 0.00 C ATOM 174 C ASP A 46 12.485 7.979 -12.202 1.00 0.00 C ATOM 175 O ASP A 46 13.157 7.059 -12.623 1.00 0.00 O ATOM 176 CB ASP A 46 11.874 10.324 -12.892 1.00 0.00 C ATOM 177 CG ASP A 46 12.880 10.867 -13.909 1.00 0.00 C ATOM 178 OD1 ASP A 46 13.409 10.073 -14.671 1.00 0.00 O ATOM 179 OD2 ASP A 46 13.105 12.065 -13.909 1.00 0.00 O ATOM 0 H ASP A 46 9.717 8.034 -13.662 1.00 0.00 H new ATOM 0 HA ASP A 46 11.925 8.535 -14.161 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.936 10.874 -12.964 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.251 10.468 -11.879 1.00 0.00 H new ATOM 184 N GLU A 47 12.499 8.296 -10.936 1.00 0.00 N ATOM 185 CA GLU A 47 13.351 7.522 -9.973 1.00 0.00 C ATOM 186 C GLU A 47 12.673 6.226 -9.527 1.00 0.00 C ATOM 187 O GLU A 47 12.957 5.713 -8.466 1.00 0.00 O ATOM 188 CB GLU A 47 13.531 8.447 -8.765 1.00 0.00 C ATOM 189 CG GLU A 47 13.708 9.891 -9.232 1.00 0.00 C ATOM 190 CD GLU A 47 14.544 10.661 -8.209 1.00 0.00 C ATOM 191 OE1 GLU A 47 15.709 10.331 -8.058 1.00 0.00 O ATOM 192 OE2 GLU A 47 14.005 11.565 -7.592 1.00 0.00 O ATOM 0 H GLU A 47 11.959 9.056 -10.522 1.00 0.00 H new ATOM 0 HA GLU A 47 14.295 7.235 -10.436 1.00 0.00 H new ATOM 0 HB2 GLU A 47 12.665 8.373 -8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.399 8.135 -8.184 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.197 9.912 -10.206 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.735 10.367 -9.354 1.00 0.00 H new ATOM 199 N ILE A 48 11.774 5.698 -10.304 1.00 0.00 N ATOM 200 CA ILE A 48 11.082 4.455 -9.895 1.00 0.00 C ATOM 201 C ILE A 48 12.037 3.289 -9.740 1.00 0.00 C ATOM 202 O ILE A 48 12.201 2.766 -8.657 1.00 0.00 O ATOM 203 CB ILE A 48 10.031 4.216 -10.934 1.00 0.00 C ATOM 204 CG1 ILE A 48 10.505 4.607 -12.329 1.00 0.00 C ATOM 205 CG2 ILE A 48 8.834 5.062 -10.531 1.00 0.00 C ATOM 206 CD1 ILE A 48 9.840 5.918 -12.712 1.00 0.00 C ATOM 0 H ILE A 48 11.489 6.077 -11.207 1.00 0.00 H new ATOM 0 HA ILE A 48 10.632 4.557 -8.908 1.00 0.00 H new ATOM 0 HB ILE A 48 9.785 3.155 -10.982 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.590 4.713 -12.345 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.250 3.828 -13.048 1.00 0.00 H new ATOM 0 HG21 ILE A 48 8.032 4.927 -11.257 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.486 4.754 -9.545 1.00 0.00 H new ATOM 0 HG23 ILE A 48 9.124 6.112 -10.502 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.167 6.214 -13.709 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.757 5.792 -12.708 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.118 6.690 -11.994 1.00 0.00 H new ATOM 218 N ASP A 49 12.681 2.873 -10.779 1.00 0.00 N ATOM 219 CA ASP A 49 13.637 1.741 -10.617 1.00 0.00 C ATOM 220 C ASP A 49 14.488 2.010 -9.373 1.00 0.00 C ATOM 221 O ASP A 49 14.833 1.115 -8.625 1.00 0.00 O ATOM 222 CB ASP A 49 14.505 1.742 -11.877 1.00 0.00 C ATOM 223 CG ASP A 49 14.221 0.481 -12.698 1.00 0.00 C ATOM 224 OD1 ASP A 49 13.876 -0.526 -12.101 1.00 0.00 O ATOM 225 OD2 ASP A 49 14.355 0.543 -13.909 1.00 0.00 O ATOM 0 H ASP A 49 12.596 3.254 -11.722 1.00 0.00 H new ATOM 0 HA ASP A 49 13.141 0.778 -10.494 1.00 0.00 H new ATOM 0 HB2 ASP A 49 14.297 2.631 -12.473 1.00 0.00 H new ATOM 0 HB3 ASP A 49 15.560 1.781 -11.604 1.00 0.00 H new ATOM 230 N ALA A 50 14.793 3.260 -9.140 1.00 0.00 N ATOM 231 CA ALA A 50 15.592 3.633 -7.942 1.00 0.00 C ATOM 232 C ALA A 50 14.726 3.562 -6.692 1.00 0.00 C ATOM 233 O ALA A 50 15.087 2.925 -5.721 1.00 0.00 O ATOM 234 CB ALA A 50 16.058 5.066 -8.200 1.00 0.00 C ATOM 0 H ALA A 50 14.519 4.042 -9.735 1.00 0.00 H new ATOM 0 HA ALA A 50 16.434 2.960 -7.781 1.00 0.00 H new ATOM 0 HB1 ALA A 50 16.656 5.412 -7.356 1.00 0.00 H new ATOM 0 HB2 ALA A 50 16.661 5.095 -9.108 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.190 5.715 -8.320 1.00 0.00 H new ATOM 240 N ILE A 51 13.584 4.191 -6.686 1.00 0.00 N ATOM 241 CA ILE A 51 12.748 4.120 -5.495 1.00 0.00 C ATOM 242 C ILE A 51 12.124 2.732 -5.385 1.00 0.00 C ATOM 243 O ILE A 51 12.234 2.119 -4.370 1.00 0.00 O ATOM 244 CB ILE A 51 11.716 5.205 -5.672 1.00 0.00 C ATOM 245 CG1 ILE A 51 10.937 4.992 -6.955 1.00 0.00 C ATOM 246 CG2 ILE A 51 12.401 6.574 -5.689 1.00 0.00 C ATOM 247 CD1 ILE A 51 10.544 6.344 -7.581 1.00 0.00 C ATOM 0 H ILE A 51 13.210 4.743 -7.457 1.00 0.00 H new ATOM 0 HA ILE A 51 13.305 4.272 -4.570 1.00 0.00 H new ATOM 0 HB ILE A 51 11.018 5.166 -4.836 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.538 4.419 -7.661 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.041 4.406 -6.750 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.651 7.355 -5.817 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.929 6.729 -4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 51 13.112 6.615 -6.514 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.986 6.170 -8.501 1.00 0.00 H new ATOM 0 HD12 ILE A 51 9.924 6.903 -6.880 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.444 6.916 -7.805 1.00 0.00 H new ATOM 259 N ILE A 52 11.515 2.190 -6.412 1.00 0.00 N ATOM 260 CA ILE A 52 10.969 0.807 -6.256 1.00 0.00 C ATOM 261 C ILE A 52 12.043 -0.049 -5.605 1.00 0.00 C ATOM 262 O ILE A 52 11.791 -0.863 -4.747 1.00 0.00 O ATOM 263 CB ILE A 52 10.707 0.293 -7.653 1.00 0.00 C ATOM 264 CG1 ILE A 52 9.710 1.193 -8.365 1.00 0.00 C ATOM 265 CG2 ILE A 52 10.138 -1.119 -7.546 1.00 0.00 C ATOM 266 CD1 ILE A 52 8.445 1.310 -7.520 1.00 0.00 C ATOM 0 H ILE A 52 11.375 2.628 -7.322 1.00 0.00 H new ATOM 0 HA ILE A 52 10.063 0.785 -5.651 1.00 0.00 H new ATOM 0 HB ILE A 52 11.635 0.286 -8.224 1.00 0.00 H new ATOM 0 HG12 ILE A 52 10.145 2.179 -8.528 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.469 0.784 -9.346 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.942 -1.509 -8.545 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.857 -1.763 -7.040 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.209 -1.095 -6.977 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.727 1.955 -8.027 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.009 0.321 -7.379 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.694 1.738 -6.549 1.00 0.00 H new ATOM 278 N GLU A 53 13.256 0.155 -6.005 1.00 0.00 N ATOM 279 CA GLU A 53 14.361 -0.623 -5.411 1.00 0.00 C ATOM 280 C GLU A 53 14.477 -0.331 -3.914 1.00 0.00 C ATOM 281 O GLU A 53 14.282 -1.200 -3.088 1.00 0.00 O ATOM 282 CB GLU A 53 15.603 -0.140 -6.149 1.00 0.00 C ATOM 283 CG GLU A 53 16.858 -0.603 -5.405 1.00 0.00 C ATOM 284 CD GLU A 53 18.098 -0.024 -6.088 1.00 0.00 C ATOM 285 OE1 GLU A 53 17.932 0.715 -7.045 1.00 0.00 O ATOM 286 OE2 GLU A 53 19.193 -0.329 -5.644 1.00 0.00 O ATOM 0 H GLU A 53 13.531 0.829 -6.720 1.00 0.00 H new ATOM 0 HA GLU A 53 14.213 -1.699 -5.506 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.607 -0.530 -7.167 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.593 0.947 -6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 53 16.818 -0.279 -4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.909 -1.692 -5.398 1.00 0.00 H new ATOM 293 N ASP A 54 14.793 0.884 -3.556 1.00 0.00 N ATOM 294 CA ASP A 54 14.947 1.211 -2.102 1.00 0.00 C ATOM 295 C ASP A 54 13.592 1.433 -1.431 1.00 0.00 C ATOM 296 O ASP A 54 13.491 1.545 -0.225 1.00 0.00 O ATOM 297 CB ASP A 54 15.766 2.494 -2.083 1.00 0.00 C ATOM 298 CG ASP A 54 16.378 2.694 -0.696 1.00 0.00 C ATOM 299 OD1 ASP A 54 17.376 2.050 -0.412 1.00 0.00 O ATOM 300 OD2 ASP A 54 15.841 3.487 0.060 1.00 0.00 O ATOM 0 H ASP A 54 14.951 1.661 -4.198 1.00 0.00 H new ATOM 0 HA ASP A 54 15.424 0.398 -1.554 1.00 0.00 H new ATOM 0 HB2 ASP A 54 16.554 2.445 -2.835 1.00 0.00 H new ATOM 0 HB3 ASP A 54 15.134 3.344 -2.338 1.00 0.00 H new ATOM 305 N ILE A 55 12.562 1.510 -2.206 1.00 0.00 N ATOM 306 CA ILE A 55 11.204 1.743 -1.645 1.00 0.00 C ATOM 307 C ILE A 55 10.367 0.466 -1.712 1.00 0.00 C ATOM 308 O ILE A 55 9.516 0.218 -0.881 1.00 0.00 O ATOM 309 CB ILE A 55 10.613 2.844 -2.538 1.00 0.00 C ATOM 310 CG1 ILE A 55 9.704 3.751 -1.725 1.00 0.00 C ATOM 311 CG2 ILE A 55 9.786 2.227 -3.649 1.00 0.00 C ATOM 312 CD1 ILE A 55 10.528 4.520 -0.692 1.00 0.00 C ATOM 0 H ILE A 55 12.597 1.421 -3.222 1.00 0.00 H new ATOM 0 HA ILE A 55 11.225 2.032 -0.594 1.00 0.00 H new ATOM 0 HB ILE A 55 11.440 3.418 -2.956 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.188 4.449 -2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.938 3.159 -1.225 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.372 3.017 -4.276 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.417 1.577 -4.254 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.973 1.643 -3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.871 5.168 -0.112 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.024 3.815 -0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.277 5.125 -1.202 1.00 0.00 H new ATOM 324 N VAL A 56 10.568 -0.313 -2.734 1.00 0.00 N ATOM 325 CA VAL A 56 9.748 -1.537 -2.902 1.00 0.00 C ATOM 326 C VAL A 56 10.584 -2.824 -2.838 1.00 0.00 C ATOM 327 O VAL A 56 10.187 -3.780 -2.205 1.00 0.00 O ATOM 328 CB VAL A 56 9.104 -1.342 -4.272 1.00 0.00 C ATOM 329 CG1 VAL A 56 8.629 -2.679 -4.823 1.00 0.00 C ATOM 330 CG2 VAL A 56 7.913 -0.395 -4.119 1.00 0.00 C ATOM 0 H VAL A 56 11.266 -0.154 -3.460 1.00 0.00 H new ATOM 0 HA VAL A 56 9.019 -1.661 -2.101 1.00 0.00 H new ATOM 0 HB VAL A 56 9.833 -0.921 -4.964 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.171 -2.528 -5.801 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.479 -3.355 -4.921 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.896 -3.113 -4.143 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.441 -0.245 -5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.190 -0.828 -3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.258 0.563 -3.731 1.00 0.00 H new ATOM 340 N LEU A 57 11.724 -2.885 -3.475 1.00 0.00 N ATOM 341 CA LEU A 57 12.508 -4.151 -3.394 1.00 0.00 C ATOM 342 C LEU A 57 12.747 -4.482 -1.919 1.00 0.00 C ATOM 343 O LEU A 57 12.804 -5.629 -1.527 1.00 0.00 O ATOM 344 CB LEU A 57 13.819 -3.887 -4.152 1.00 0.00 C ATOM 345 CG LEU A 57 14.991 -4.608 -3.474 1.00 0.00 C ATOM 346 CD1 LEU A 57 16.156 -4.723 -4.455 1.00 0.00 C ATOM 347 CD2 LEU A 57 15.441 -3.812 -2.246 1.00 0.00 C ATOM 0 H LEU A 57 12.136 -2.137 -4.032 1.00 0.00 H new ATOM 0 HA LEU A 57 11.995 -5.005 -3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.724 -4.227 -5.183 1.00 0.00 H new ATOM 0 HB3 LEU A 57 14.016 -2.815 -4.187 1.00 0.00 H new ATOM 0 HG LEU A 57 14.672 -5.604 -3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 57 16.989 -5.235 -3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 57 15.840 -5.289 -5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 57 16.472 -3.726 -4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 57 16.274 -4.325 -1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 57 15.758 -2.816 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.612 -3.728 -1.543 1.00 0.00 H new ATOM 359 N LYS A 58 12.875 -3.476 -1.102 1.00 0.00 N ATOM 360 CA LYS A 58 13.095 -3.713 0.352 1.00 0.00 C ATOM 361 C LYS A 58 11.752 -3.704 1.083 1.00 0.00 C ATOM 362 O LYS A 58 11.488 -4.529 1.933 1.00 0.00 O ATOM 363 CB LYS A 58 13.964 -2.544 0.814 1.00 0.00 C ATOM 364 CG LYS A 58 15.413 -3.014 0.970 1.00 0.00 C ATOM 365 CD LYS A 58 16.018 -2.409 2.239 1.00 0.00 C ATOM 366 CE LYS A 58 16.325 -0.928 2.008 1.00 0.00 C ATOM 367 NZ LYS A 58 15.939 -0.252 3.278 1.00 0.00 N ATOM 0 H LYS A 58 12.837 -2.495 -1.379 1.00 0.00 H new ATOM 0 HA LYS A 58 13.568 -4.674 0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.911 -1.730 0.091 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.593 -2.154 1.762 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.449 -4.102 1.022 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.998 -2.717 0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.325 -2.521 3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.930 -2.942 2.508 1.00 0.00 H new ATOM 0 HE2 LYS A 58 17.381 -0.774 1.784 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.759 -0.535 1.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.121 0.769 3.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.928 -0.410 3.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.499 -0.642 4.063 1.00 0.00 H new ATOM 381 N GLY A 59 10.903 -2.770 0.752 1.00 0.00 N ATOM 382 CA GLY A 59 9.572 -2.695 1.419 1.00 0.00 C ATOM 383 C GLY A 59 8.674 -3.824 0.905 1.00 0.00 C ATOM 384 O GLY A 59 8.034 -4.515 1.673 1.00 0.00 O ATOM 0 H GLY A 59 11.074 -2.054 0.046 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.691 -2.775 2.500 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.108 -1.729 1.220 1.00 0.00 H new ATOM 388 N GLY A 60 8.613 -4.016 -0.386 1.00 0.00 N ATOM 389 CA GLY A 60 7.748 -5.099 -0.933 1.00 0.00 C ATOM 390 C GLY A 60 8.328 -6.470 -0.568 1.00 0.00 C ATOM 391 O GLY A 60 7.756 -7.202 0.211 1.00 0.00 O ATOM 0 H GLY A 60 9.123 -3.472 -1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.738 -5.005 -0.534 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.673 -5.004 -2.016 1.00 0.00 H new ATOM 395 N LYS A 61 9.459 -6.822 -1.128 1.00 0.00 N ATOM 396 CA LYS A 61 10.091 -8.154 -0.842 1.00 0.00 C ATOM 397 C LYS A 61 10.433 -8.359 0.646 1.00 0.00 C ATOM 398 O LYS A 61 11.039 -9.347 1.006 1.00 0.00 O ATOM 399 CB LYS A 61 11.377 -8.152 -1.668 1.00 0.00 C ATOM 400 CG LYS A 61 11.878 -9.586 -1.851 1.00 0.00 C ATOM 401 CD LYS A 61 13.108 -9.817 -0.972 1.00 0.00 C ATOM 402 CE LYS A 61 13.472 -11.303 -0.986 1.00 0.00 C ATOM 403 NZ LYS A 61 14.608 -11.410 -1.944 1.00 0.00 N ATOM 0 H LYS A 61 9.981 -6.237 -1.781 1.00 0.00 H new ATOM 0 HA LYS A 61 9.404 -8.962 -1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.195 -7.694 -2.640 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.139 -7.552 -1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.092 -10.293 -1.586 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.128 -9.764 -2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.946 -9.223 -1.337 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.906 -9.491 0.048 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.759 -11.649 0.007 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.627 -11.914 -1.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.915 -12.401 -2.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.303 -11.080 -2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.400 -10.823 -1.611 1.00 0.00 H new ATOM 417 N ALA A 62 10.058 -7.462 1.517 1.00 0.00 N ATOM 418 CA ALA A 62 10.378 -7.660 2.949 1.00 0.00 C ATOM 419 C ALA A 62 9.907 -9.050 3.363 1.00 0.00 C ATOM 420 O ALA A 62 10.686 -9.927 3.677 1.00 0.00 O ATOM 421 CB ALA A 62 9.596 -6.578 3.691 1.00 0.00 C ATOM 0 H ALA A 62 9.547 -6.607 1.296 1.00 0.00 H new ATOM 0 HA ALA A 62 11.444 -7.589 3.165 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.784 -6.662 4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 62 9.915 -5.595 3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.530 -6.703 3.499 1.00 0.00 H new ATOM 427 N LYS A 63 8.626 -9.250 3.317 1.00 0.00 N ATOM 428 CA LYS A 63 8.046 -10.581 3.653 1.00 0.00 C ATOM 429 C LYS A 63 7.849 -11.349 2.351 1.00 0.00 C ATOM 430 O LYS A 63 7.810 -12.563 2.307 1.00 0.00 O ATOM 431 CB LYS A 63 6.699 -10.261 4.294 1.00 0.00 C ATOM 432 CG LYS A 63 5.704 -9.812 3.219 1.00 0.00 C ATOM 433 CD LYS A 63 4.584 -8.997 3.867 1.00 0.00 C ATOM 434 CE LYS A 63 4.992 -7.523 3.923 1.00 0.00 C ATOM 435 NZ LYS A 63 4.058 -6.904 4.904 1.00 0.00 N ATOM 0 H LYS A 63 7.942 -8.539 3.057 1.00 0.00 H new ATOM 0 HA LYS A 63 8.671 -11.182 4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.315 -11.139 4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.819 -9.477 5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.214 -9.213 2.464 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.287 -10.680 2.709 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.662 -9.109 3.297 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.384 -9.368 4.872 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.029 -7.412 4.240 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.906 -7.052 2.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.274 -5.891 4.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.079 -7.020 4.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.167 -7.368 5.828 1.00 0.00 H new ATOM 449 N ASN A 64 7.718 -10.608 1.297 1.00 0.00 N ATOM 450 CA ASN A 64 7.510 -11.197 -0.053 1.00 0.00 C ATOM 451 C ASN A 64 8.755 -11.952 -0.515 1.00 0.00 C ATOM 452 O ASN A 64 9.872 -11.583 -0.208 1.00 0.00 O ATOM 453 CB ASN A 64 7.258 -9.979 -0.940 1.00 0.00 C ATOM 454 CG ASN A 64 5.856 -10.074 -1.545 1.00 0.00 C ATOM 455 OD1 ASN A 64 5.181 -11.071 -1.390 1.00 0.00 O ATOM 456 ND2 ASN A 64 5.386 -9.070 -2.235 1.00 0.00 N ATOM 0 H ASN A 64 7.747 -9.589 1.311 1.00 0.00 H new ATOM 0 HA ASN A 64 6.694 -11.919 -0.078 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.353 -9.064 -0.356 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.006 -9.931 -1.732 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.453 -9.124 -2.643 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.952 -8.232 -2.366 1.00 0.00 H new ATOM 463 N PRO A 65 8.493 -13.004 -1.233 1.00 0.00 N ATOM 464 CA PRO A 65 9.557 -13.888 -1.772 1.00 0.00 C ATOM 465 C PRO A 65 10.495 -13.145 -2.735 1.00 0.00 C ATOM 466 O PRO A 65 11.700 -13.259 -2.638 1.00 0.00 O ATOM 467 CB PRO A 65 8.749 -14.960 -2.505 1.00 0.00 C ATOM 468 CG PRO A 65 7.462 -14.294 -2.819 1.00 0.00 C ATOM 469 CD PRO A 65 7.168 -13.481 -1.621 1.00 0.00 C ATOM 0 HA PRO A 65 10.217 -14.282 -0.999 1.00 0.00 H new ATOM 0 HB2 PRO A 65 9.257 -15.292 -3.410 1.00 0.00 H new ATOM 0 HB3 PRO A 65 8.600 -15.842 -1.882 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.543 -13.673 -3.711 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.673 -15.022 -3.009 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.489 -12.658 -1.845 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.702 -14.073 -0.833 1.00 0.00 H new ATOM 477 N SER A 66 9.967 -12.392 -3.664 1.00 0.00 N ATOM 478 CA SER A 66 10.854 -11.668 -4.609 1.00 0.00 C ATOM 479 C SER A 66 10.033 -10.883 -5.598 1.00 0.00 C ATOM 480 O SER A 66 9.304 -11.404 -6.418 1.00 0.00 O ATOM 481 CB SER A 66 11.682 -12.740 -5.304 1.00 0.00 C ATOM 482 OG SER A 66 13.018 -12.694 -4.819 1.00 0.00 O ATOM 0 H SER A 66 8.967 -12.250 -3.805 1.00 0.00 H new ATOM 0 HA SER A 66 11.495 -10.950 -4.098 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.251 -13.724 -5.121 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.669 -12.582 -6.382 1.00 0.00 H new ATOM 0 HG SER A 66 13.029 -12.927 -3.867 1.00 0.00 H new ATOM 488 N ILE A 67 10.136 -9.616 -5.459 1.00 0.00 N ATOM 489 CA ILE A 67 9.381 -8.680 -6.281 1.00 0.00 C ATOM 490 C ILE A 67 10.220 -8.165 -7.449 1.00 0.00 C ATOM 491 O ILE A 67 11.435 -8.149 -7.400 1.00 0.00 O ATOM 492 CB ILE A 67 9.075 -7.589 -5.270 1.00 0.00 C ATOM 493 CG1 ILE A 67 7.856 -8.000 -4.439 1.00 0.00 C ATOM 494 CG2 ILE A 67 8.796 -6.262 -5.981 1.00 0.00 C ATOM 495 CD1 ILE A 67 7.985 -9.476 -4.041 1.00 0.00 C ATOM 0 H ILE A 67 10.745 -9.171 -4.773 1.00 0.00 H new ATOM 0 HA ILE A 67 8.496 -9.102 -6.757 1.00 0.00 H new ATOM 0 HB ILE A 67 9.938 -7.456 -4.617 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.783 -7.377 -3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.942 -7.845 -5.012 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.579 -5.492 -5.241 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.670 -5.970 -6.563 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.940 -6.378 -6.646 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.118 -9.770 -3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.038 -10.092 -4.939 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.891 -9.616 -3.452 1.00 0.00 H new ATOM 507 N VAL A 68 9.575 -7.745 -8.498 1.00 0.00 N ATOM 508 CA VAL A 68 10.325 -7.227 -9.681 1.00 0.00 C ATOM 509 C VAL A 68 9.782 -5.861 -10.094 1.00 0.00 C ATOM 510 O VAL A 68 8.590 -5.675 -10.244 1.00 0.00 O ATOM 511 CB VAL A 68 10.111 -8.265 -10.801 1.00 0.00 C ATOM 512 CG1 VAL A 68 8.730 -8.903 -10.661 1.00 0.00 C ATOM 513 CG2 VAL A 68 10.209 -7.586 -12.179 1.00 0.00 C ATOM 0 H VAL A 68 8.559 -7.737 -8.591 1.00 0.00 H new ATOM 0 HA VAL A 68 11.385 -7.094 -9.463 1.00 0.00 H new ATOM 0 HB VAL A 68 10.882 -9.031 -10.716 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.585 -9.635 -11.455 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.654 -9.398 -9.693 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.964 -8.131 -10.735 1.00 0.00 H new ATOM 0 HG21 VAL A 68 10.056 -8.329 -12.962 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.445 -6.812 -12.259 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.195 -7.136 -12.293 1.00 0.00 H new ATOM 523 N VAL A 69 10.649 -4.910 -10.311 1.00 0.00 N ATOM 524 CA VAL A 69 10.170 -3.576 -10.751 1.00 0.00 C ATOM 525 C VAL A 69 9.859 -3.664 -12.241 1.00 0.00 C ATOM 526 O VAL A 69 9.977 -4.717 -12.838 1.00 0.00 O ATOM 527 CB VAL A 69 11.323 -2.606 -10.484 1.00 0.00 C ATOM 528 CG1 VAL A 69 10.834 -1.167 -10.675 1.00 0.00 C ATOM 529 CG2 VAL A 69 11.817 -2.784 -9.047 1.00 0.00 C ATOM 0 H VAL A 69 11.659 -5.000 -10.203 1.00 0.00 H new ATOM 0 HA VAL A 69 9.272 -3.244 -10.230 1.00 0.00 H new ATOM 0 HB VAL A 69 12.137 -2.811 -11.179 1.00 0.00 H new ATOM 0 HG11 VAL A 69 11.655 -0.476 -10.485 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.479 -1.036 -11.697 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.020 -0.964 -9.979 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.638 -2.093 -8.856 1.00 0.00 H new ATOM 0 HG22 VAL A 69 11.001 -2.578 -8.354 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.164 -3.808 -8.906 1.00 0.00 H new ATOM 539 N GLU A 70 9.446 -2.600 -12.854 1.00 0.00 N ATOM 540 CA GLU A 70 9.116 -2.691 -14.298 1.00 0.00 C ATOM 541 C GLU A 70 9.121 -1.301 -14.940 1.00 0.00 C ATOM 542 O GLU A 70 8.098 -0.800 -15.367 1.00 0.00 O ATOM 543 CB GLU A 70 7.713 -3.286 -14.303 1.00 0.00 C ATOM 544 CG GLU A 70 7.634 -4.484 -15.241 1.00 0.00 C ATOM 545 CD GLU A 70 8.339 -4.159 -16.560 1.00 0.00 C ATOM 546 OE1 GLU A 70 8.091 -3.091 -17.094 1.00 0.00 O ATOM 547 OE2 GLU A 70 9.115 -4.984 -17.013 1.00 0.00 O ATOM 0 H GLU A 70 9.323 -1.682 -12.427 1.00 0.00 H new ATOM 0 HA GLU A 70 9.832 -3.287 -14.865 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.439 -3.591 -13.293 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.993 -2.528 -14.613 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.098 -5.353 -14.775 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.592 -4.742 -15.429 1.00 0.00 H new ATOM 554 N ASP A 71 10.262 -0.674 -15.013 1.00 0.00 N ATOM 555 CA ASP A 71 10.329 0.682 -15.629 1.00 0.00 C ATOM 556 C ASP A 71 10.140 0.585 -17.144 1.00 0.00 C ATOM 557 O ASP A 71 10.898 -0.071 -17.832 1.00 0.00 O ATOM 558 CB ASP A 71 11.728 1.199 -15.295 1.00 0.00 C ATOM 559 CG ASP A 71 12.773 0.368 -16.042 1.00 0.00 C ATOM 560 OD1 ASP A 71 12.909 -0.801 -15.721 1.00 0.00 O ATOM 561 OD2 ASP A 71 13.418 0.914 -16.920 1.00 0.00 O ATOM 0 H ASP A 71 11.151 -1.041 -14.673 1.00 0.00 H new ATOM 0 HA ASP A 71 9.549 1.345 -15.254 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.815 2.249 -15.575 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.902 1.140 -14.221 1.00 0.00 H new ATOM 566 N LYS A 72 9.139 1.235 -17.672 1.00 0.00 N ATOM 567 CA LYS A 72 8.911 1.180 -19.143 1.00 0.00 C ATOM 568 C LYS A 72 8.995 2.587 -19.733 1.00 0.00 C ATOM 569 O LYS A 72 8.658 3.561 -19.090 1.00 0.00 O ATOM 570 CB LYS A 72 7.501 0.611 -19.309 1.00 0.00 C ATOM 571 CG LYS A 72 7.508 -0.461 -20.401 1.00 0.00 C ATOM 572 CD LYS A 72 7.944 0.164 -21.730 1.00 0.00 C ATOM 573 CE LYS A 72 7.149 -0.462 -22.877 1.00 0.00 C ATOM 574 NZ LYS A 72 6.524 0.692 -23.583 1.00 0.00 N ATOM 0 H LYS A 72 8.471 1.801 -17.149 1.00 0.00 H new ATOM 0 HA LYS A 72 9.654 0.570 -19.656 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.157 0.184 -18.367 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.805 1.407 -19.571 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.186 -1.269 -20.127 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.515 -0.899 -20.502 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.782 1.242 -21.707 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.011 0.006 -21.885 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.798 -1.029 -23.544 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.393 -1.153 -22.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.960 0.344 -24.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.907 1.209 -22.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.268 1.329 -23.933 1.00 0.00 H new ATOM 588 N ALA A 73 9.450 2.704 -20.948 1.00 0.00 N ATOM 589 CA ALA A 73 9.562 4.052 -21.575 1.00 0.00 C ATOM 590 C ALA A 73 8.189 4.724 -21.653 1.00 0.00 C ATOM 591 O ALA A 73 7.570 4.771 -22.697 1.00 0.00 O ATOM 592 CB ALA A 73 10.111 3.787 -22.977 1.00 0.00 C ATOM 0 H ALA A 73 9.750 1.926 -21.535 1.00 0.00 H new ATOM 0 HA ALA A 73 10.204 4.721 -21.002 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.224 4.732 -23.508 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.081 3.295 -22.901 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.420 3.144 -23.523 1.00 0.00 H new ATOM 598 N GLY A 74 7.707 5.252 -20.559 1.00 0.00 N ATOM 599 CA GLY A 74 6.379 5.922 -20.587 1.00 0.00 C ATOM 600 C GLY A 74 5.534 5.467 -19.409 1.00 0.00 C ATOM 601 O GLY A 74 4.578 6.110 -19.021 1.00 0.00 O ATOM 0 H GLY A 74 8.175 5.247 -19.653 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.509 7.004 -20.554 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.867 5.691 -21.521 1.00 0.00 H new ATOM 605 N PHE A 75 5.873 4.356 -18.853 1.00 0.00 N ATOM 606 CA PHE A 75 5.085 3.827 -17.700 1.00 0.00 C ATOM 607 C PHE A 75 5.994 3.416 -16.536 1.00 0.00 C ATOM 608 O PHE A 75 7.204 3.477 -16.614 1.00 0.00 O ATOM 609 CB PHE A 75 4.354 2.606 -18.257 1.00 0.00 C ATOM 610 CG PHE A 75 3.050 3.042 -18.885 1.00 0.00 C ATOM 611 CD1 PHE A 75 2.178 3.876 -18.177 1.00 0.00 C ATOM 612 CD2 PHE A 75 2.715 2.609 -20.173 1.00 0.00 C ATOM 613 CE1 PHE A 75 0.969 4.279 -18.758 1.00 0.00 C ATOM 614 CE2 PHE A 75 1.506 3.010 -20.754 1.00 0.00 C ATOM 615 CZ PHE A 75 0.633 3.845 -20.047 1.00 0.00 C ATOM 0 H PHE A 75 6.664 3.779 -19.140 1.00 0.00 H new ATOM 0 HA PHE A 75 4.406 4.581 -17.301 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.976 2.103 -18.997 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.164 1.888 -17.460 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.437 4.209 -17.183 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.389 1.966 -20.719 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.296 4.924 -18.213 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.247 2.675 -21.748 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.300 4.155 -20.495 1.00 0.00 H new ATOM 625 N TRP A 76 5.397 3.002 -15.455 1.00 0.00 N ATOM 626 CA TRP A 76 6.176 2.581 -14.255 1.00 0.00 C ATOM 627 C TRP A 76 5.493 1.370 -13.626 1.00 0.00 C ATOM 628 O TRP A 76 4.765 1.480 -12.659 1.00 0.00 O ATOM 629 CB TRP A 76 6.116 3.801 -13.336 1.00 0.00 C ATOM 630 CG TRP A 76 6.519 3.431 -11.965 1.00 0.00 C ATOM 631 CD1 TRP A 76 7.360 2.436 -11.654 1.00 0.00 C ATOM 632 CD2 TRP A 76 6.137 4.056 -10.712 1.00 0.00 C ATOM 633 NE1 TRP A 76 7.504 2.388 -10.293 1.00 0.00 N ATOM 634 CE2 TRP A 76 6.768 3.366 -9.660 1.00 0.00 C ATOM 635 CE3 TRP A 76 5.312 5.138 -10.395 1.00 0.00 C ATOM 636 CZ2 TRP A 76 6.585 3.736 -8.331 1.00 0.00 C ATOM 637 CZ3 TRP A 76 5.121 5.521 -9.062 1.00 0.00 C ATOM 638 CH2 TRP A 76 5.756 4.820 -8.027 1.00 0.00 C ATOM 0 H TRP A 76 4.385 2.936 -15.349 1.00 0.00 H new ATOM 0 HA TRP A 76 7.204 2.289 -14.468 1.00 0.00 H new ATOM 0 HB2 TRP A 76 6.772 4.584 -13.716 1.00 0.00 H new ATOM 0 HB3 TRP A 76 5.105 4.209 -13.328 1.00 0.00 H new ATOM 0 HD1 TRP A 76 7.845 1.779 -12.361 1.00 0.00 H new ATOM 0 HE1 TRP A 76 8.087 1.708 -9.805 1.00 0.00 H new ATOM 0 HE3 TRP A 76 4.817 5.684 -11.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 7.079 3.190 -7.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 4.482 6.360 -8.830 1.00 0.00 H new ATOM 0 HH2 TRP A 76 5.605 5.116 -6.999 1.00 0.00 H new ATOM 649 N TRP A 77 5.706 0.217 -14.193 1.00 0.00 N ATOM 650 CA TRP A 77 5.055 -1.008 -13.663 1.00 0.00 C ATOM 651 C TRP A 77 5.966 -1.739 -12.674 1.00 0.00 C ATOM 652 O TRP A 77 7.159 -1.524 -12.624 1.00 0.00 O ATOM 653 CB TRP A 77 4.818 -1.888 -14.901 1.00 0.00 C ATOM 654 CG TRP A 77 3.684 -1.336 -15.700 1.00 0.00 C ATOM 655 CD1 TRP A 77 3.486 -0.024 -15.957 1.00 0.00 C ATOM 656 CD2 TRP A 77 2.599 -2.050 -16.362 1.00 0.00 C ATOM 657 NE1 TRP A 77 2.342 0.115 -16.722 1.00 0.00 N ATOM 658 CE2 TRP A 77 1.762 -1.106 -17.001 1.00 0.00 C ATOM 659 CE3 TRP A 77 2.259 -3.413 -16.465 1.00 0.00 C ATOM 660 CZ2 TRP A 77 0.631 -1.495 -17.717 1.00 0.00 C ATOM 661 CZ3 TRP A 77 1.121 -3.809 -17.186 1.00 0.00 C ATOM 662 CH2 TRP A 77 0.308 -2.851 -17.811 1.00 0.00 C ATOM 0 H TRP A 77 6.306 0.071 -15.005 1.00 0.00 H new ATOM 0 HA TRP A 77 4.137 -0.773 -13.124 1.00 0.00 H new ATOM 0 HB2 TRP A 77 5.721 -1.926 -15.511 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.597 -2.911 -14.595 1.00 0.00 H new ATOM 0 HD1 TRP A 77 4.118 0.784 -15.620 1.00 0.00 H new ATOM 0 HE1 TRP A 77 1.972 1.010 -17.041 1.00 0.00 H new ATOM 0 HE3 TRP A 77 2.877 -4.158 -15.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 0.009 -0.753 -18.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 0.870 -4.857 -17.260 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -0.566 -3.162 -18.364 1.00 0.00 H new ATOM 673 N ILE A 78 5.389 -2.609 -11.899 1.00 0.00 N ATOM 674 CA ILE A 78 6.164 -3.411 -10.913 1.00 0.00 C ATOM 675 C ILE A 78 5.360 -4.648 -10.546 1.00 0.00 C ATOM 676 O ILE A 78 4.156 -4.603 -10.395 1.00 0.00 O ATOM 677 CB ILE A 78 6.374 -2.502 -9.707 1.00 0.00 C ATOM 678 CG1 ILE A 78 7.558 -1.591 -9.996 1.00 0.00 C ATOM 679 CG2 ILE A 78 6.670 -3.340 -8.460 1.00 0.00 C ATOM 680 CD1 ILE A 78 7.048 -0.209 -10.344 1.00 0.00 C ATOM 0 H ILE A 78 4.388 -2.804 -11.907 1.00 0.00 H new ATOM 0 HA ILE A 78 7.124 -3.749 -11.303 1.00 0.00 H new ATOM 0 HB ILE A 78 5.474 -1.914 -9.527 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.215 -1.541 -9.128 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.148 -1.992 -10.820 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.818 -2.680 -7.605 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.831 -4.007 -8.262 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.572 -3.930 -8.624 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.892 0.449 -10.552 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.408 -0.268 -11.225 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.476 0.189 -9.506 1.00 0.00 H new ATOM 692 N LYS A 79 6.015 -5.759 -10.437 1.00 0.00 N ATOM 693 CA LYS A 79 5.300 -7.012 -10.120 1.00 0.00 C ATOM 694 C LYS A 79 5.586 -7.430 -8.679 1.00 0.00 C ATOM 695 O LYS A 79 6.684 -7.282 -8.180 1.00 0.00 O ATOM 696 CB LYS A 79 5.838 -8.057 -11.109 1.00 0.00 C ATOM 697 CG LYS A 79 6.750 -7.414 -12.165 1.00 0.00 C ATOM 698 CD LYS A 79 7.003 -8.408 -13.300 1.00 0.00 C ATOM 699 CE LYS A 79 5.941 -8.229 -14.388 1.00 0.00 C ATOM 700 NZ LYS A 79 6.510 -8.885 -15.600 1.00 0.00 N ATOM 0 H LYS A 79 7.024 -5.853 -10.555 1.00 0.00 H new ATOM 0 HA LYS A 79 4.219 -6.900 -10.210 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.392 -8.823 -10.566 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.004 -8.556 -11.602 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.287 -6.509 -12.558 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.695 -7.117 -11.711 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.997 -8.251 -13.719 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.976 -9.428 -12.916 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.997 -8.690 -14.097 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.737 -7.174 -14.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.837 -8.802 -16.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.404 -8.421 -15.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.687 -9.890 -15.400 1.00 0.00 H new ATOM 714 N ALA A 80 4.599 -7.950 -8.010 1.00 0.00 N ATOM 715 CA ALA A 80 4.795 -8.381 -6.599 1.00 0.00 C ATOM 716 C ALA A 80 4.095 -9.722 -6.358 1.00 0.00 C ATOM 717 O ALA A 80 3.070 -10.008 -6.944 1.00 0.00 O ATOM 718 CB ALA A 80 4.149 -7.280 -5.758 1.00 0.00 C ATOM 0 H ALA A 80 3.660 -8.096 -8.380 1.00 0.00 H new ATOM 0 HA ALA A 80 5.847 -8.521 -6.349 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.251 -7.523 -4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 80 4.643 -6.330 -5.961 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.092 -7.201 -6.012 1.00 0.00 H new ATOM 724 N ASP A 81 4.634 -10.548 -5.503 1.00 0.00 N ATOM 725 CA ASP A 81 3.985 -11.865 -5.236 1.00 0.00 C ATOM 726 C ASP A 81 3.439 -11.905 -3.810 1.00 0.00 C ATOM 727 O ASP A 81 3.678 -12.835 -3.065 1.00 0.00 O ATOM 728 CB ASP A 81 5.092 -12.903 -5.422 1.00 0.00 C ATOM 729 CG ASP A 81 4.655 -13.938 -6.458 1.00 0.00 C ATOM 730 OD1 ASP A 81 3.934 -14.851 -6.088 1.00 0.00 O ATOM 731 OD2 ASP A 81 5.048 -13.801 -7.605 1.00 0.00 O ATOM 0 H ASP A 81 5.491 -10.370 -4.980 1.00 0.00 H new ATOM 0 HA ASP A 81 3.142 -12.052 -5.902 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.011 -12.415 -5.746 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.308 -13.393 -4.473 1.00 0.00 H new ATOM 736 N GLY A 82 2.704 -10.901 -3.428 1.00 0.00 N ATOM 737 CA GLY A 82 2.137 -10.867 -2.066 1.00 0.00 C ATOM 738 C GLY A 82 1.141 -9.711 -1.953 1.00 0.00 C ATOM 739 O GLY A 82 0.943 -8.958 -2.885 1.00 0.00 O ATOM 0 H GLY A 82 2.473 -10.097 -4.012 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.640 -11.811 -1.845 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.934 -10.747 -1.332 1.00 0.00 H new ATOM 743 N ALA A 83 0.516 -9.564 -0.818 1.00 0.00 N ATOM 744 CA ALA A 83 -0.463 -8.452 -0.646 1.00 0.00 C ATOM 745 C ALA A 83 0.275 -7.110 -0.590 1.00 0.00 C ATOM 746 O ALA A 83 1.145 -6.904 0.233 1.00 0.00 O ATOM 747 CB ALA A 83 -1.158 -8.741 0.686 1.00 0.00 C ATOM 0 H ALA A 83 0.640 -10.164 -0.003 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.174 -8.391 -1.470 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.897 -7.965 0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.654 -9.710 0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.419 -8.754 1.487 1.00 0.00 H new ATOM 753 N ILE A 84 -0.061 -6.198 -1.461 1.00 0.00 N ATOM 754 CA ILE A 84 0.631 -4.875 -1.455 1.00 0.00 C ATOM 755 C ILE A 84 -0.369 -3.741 -1.224 1.00 0.00 C ATOM 756 O ILE A 84 -1.569 -3.943 -1.228 1.00 0.00 O ATOM 757 CB ILE A 84 1.248 -4.740 -2.842 1.00 0.00 C ATOM 758 CG1 ILE A 84 1.966 -3.401 -2.940 1.00 0.00 C ATOM 759 CG2 ILE A 84 0.145 -4.800 -3.899 1.00 0.00 C ATOM 760 CD1 ILE A 84 2.835 -3.404 -4.187 1.00 0.00 C ATOM 0 H ILE A 84 -0.782 -6.310 -2.174 1.00 0.00 H new ATOM 0 HA ILE A 84 1.374 -4.817 -0.659 1.00 0.00 H new ATOM 0 HB ILE A 84 1.955 -5.552 -3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.243 -2.587 -2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.578 -3.235 -2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.586 -4.703 -4.891 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.378 -5.754 -3.826 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.561 -3.986 -3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.356 -2.450 -4.270 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.565 -4.211 -4.120 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.209 -3.553 -5.067 1.00 0.00 H new ATOM 772 N GLU A 85 0.118 -2.541 -1.033 1.00 0.00 N ATOM 773 CA GLU A 85 -0.790 -1.405 -0.814 1.00 0.00 C ATOM 774 C GLU A 85 -0.386 -0.205 -1.679 1.00 0.00 C ATOM 775 O GLU A 85 0.738 -0.094 -2.126 1.00 0.00 O ATOM 776 CB GLU A 85 -0.675 -1.072 0.674 1.00 0.00 C ATOM 777 CG GLU A 85 -1.713 -1.873 1.460 1.00 0.00 C ATOM 778 CD GLU A 85 -1.014 -2.687 2.549 1.00 0.00 C ATOM 779 OE1 GLU A 85 -0.179 -2.124 3.238 1.00 0.00 O ATOM 780 OE2 GLU A 85 -1.324 -3.861 2.675 1.00 0.00 O ATOM 0 H GLU A 85 1.112 -2.311 -1.022 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.815 -1.649 -1.093 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.327 -1.305 1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.829 -0.004 0.831 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.444 -1.200 1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.259 -2.537 0.790 1.00 0.00 H new ATOM 787 N ILE A 86 -1.306 0.691 -1.912 1.00 0.00 N ATOM 788 CA ILE A 86 -1.010 1.879 -2.734 1.00 0.00 C ATOM 789 C ILE A 86 -2.055 2.974 -2.491 1.00 0.00 C ATOM 790 O ILE A 86 -3.233 2.707 -2.371 1.00 0.00 O ATOM 791 CB ILE A 86 -1.026 1.377 -4.170 1.00 0.00 C ATOM 792 CG1 ILE A 86 -0.254 2.342 -5.038 1.00 0.00 C ATOM 793 CG2 ILE A 86 -2.450 1.307 -4.664 1.00 0.00 C ATOM 794 CD1 ILE A 86 -1.013 3.645 -5.044 1.00 0.00 C ATOM 0 H ILE A 86 -2.262 0.642 -1.559 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.049 2.332 -2.489 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.573 0.387 -4.215 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.754 2.486 -4.650 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.153 1.952 -6.051 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.461 0.947 -5.693 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.020 0.624 -4.035 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.899 2.299 -4.622 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.485 4.371 -5.663 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.012 3.482 -5.448 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.091 4.025 -4.025 1.00 0.00 H new ATOM 806 N ASP A 87 -1.629 4.207 -2.420 1.00 0.00 N ATOM 807 CA ASP A 87 -2.595 5.321 -2.189 1.00 0.00 C ATOM 808 C ASP A 87 -2.379 6.438 -3.200 1.00 0.00 C ATOM 809 O ASP A 87 -1.514 6.367 -4.050 1.00 0.00 O ATOM 810 CB ASP A 87 -2.269 5.858 -0.803 1.00 0.00 C ATOM 811 CG ASP A 87 -2.163 4.700 0.192 1.00 0.00 C ATOM 812 OD1 ASP A 87 -1.162 4.002 0.153 1.00 0.00 O ATOM 813 OD2 ASP A 87 -3.083 4.531 0.975 1.00 0.00 O ATOM 0 H ASP A 87 -0.654 4.491 -2.512 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.623 4.972 -2.283 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.331 6.413 -0.830 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.043 6.555 -0.482 1.00 0.00 H new ATOM 818 N ALA A 88 -3.141 7.489 -3.090 1.00 0.00 N ATOM 819 CA ALA A 88 -2.951 8.628 -4.025 1.00 0.00 C ATOM 820 C ALA A 88 -3.357 9.958 -3.372 1.00 0.00 C ATOM 821 O ALA A 88 -2.850 11.004 -3.723 1.00 0.00 O ATOM 822 CB ALA A 88 -3.833 8.330 -5.243 1.00 0.00 C ATOM 0 H ALA A 88 -3.881 7.607 -2.398 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.903 8.731 -4.306 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.735 9.137 -5.969 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.519 7.391 -5.699 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.873 8.250 -4.928 1.00 0.00 H new ATOM 828 N ALA A 89 -4.265 9.934 -2.431 1.00 0.00 N ATOM 829 CA ALA A 89 -4.691 11.202 -1.776 1.00 0.00 C ATOM 830 C ALA A 89 -3.475 12.068 -1.463 1.00 0.00 C ATOM 831 O ALA A 89 -3.398 13.216 -1.854 1.00 0.00 O ATOM 832 CB ALA A 89 -5.385 10.767 -0.490 1.00 0.00 C ATOM 0 H ALA A 89 -4.728 9.092 -2.090 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.347 11.796 -2.412 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.730 11.647 0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.238 10.133 -0.733 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.684 10.209 0.131 1.00 0.00 H new ATOM 838 N GLU A 90 -2.523 11.522 -0.768 1.00 0.00 N ATOM 839 CA GLU A 90 -1.305 12.315 -0.436 1.00 0.00 C ATOM 840 C GLU A 90 -0.716 12.888 -1.722 1.00 0.00 C ATOM 841 O GLU A 90 -0.392 14.055 -1.810 1.00 0.00 O ATOM 842 CB GLU A 90 -0.336 11.321 0.210 1.00 0.00 C ATOM 843 CG GLU A 90 -1.067 10.536 1.299 1.00 0.00 C ATOM 844 CD GLU A 90 -0.161 10.389 2.523 1.00 0.00 C ATOM 845 OE1 GLU A 90 0.917 9.838 2.376 1.00 0.00 O ATOM 846 OE2 GLU A 90 -0.562 10.828 3.588 1.00 0.00 O ATOM 0 H GLU A 90 -2.531 10.565 -0.415 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.514 13.151 0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.059 10.639 -0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.515 11.851 0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.988 11.050 1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.351 9.553 0.924 1.00 0.00 H new ATOM 853 N ALA A 91 -0.601 12.075 -2.729 1.00 0.00 N ATOM 854 CA ALA A 91 -0.062 12.571 -4.022 1.00 0.00 C ATOM 855 C ALA A 91 -1.043 13.580 -4.615 1.00 0.00 C ATOM 856 O ALA A 91 -0.650 14.580 -5.174 1.00 0.00 O ATOM 857 CB ALA A 91 0.049 11.333 -4.914 1.00 0.00 C ATOM 0 H ALA A 91 -0.857 11.088 -2.714 1.00 0.00 H new ATOM 0 HA ALA A 91 0.902 13.069 -3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.441 11.621 -5.889 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.721 10.610 -4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.937 10.884 -5.038 1.00 0.00 H new ATOM 863 N GLY A 92 -2.319 13.327 -4.477 1.00 0.00 N ATOM 864 CA GLY A 92 -3.337 14.272 -5.020 1.00 0.00 C ATOM 865 C GLY A 92 -3.278 15.587 -4.241 1.00 0.00 C ATOM 866 O GLY A 92 -3.084 16.646 -4.803 1.00 0.00 O ATOM 0 H GLY A 92 -2.700 12.504 -4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.151 14.455 -6.078 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -4.333 13.835 -4.942 1.00 0.00 H new ATOM 870 N GLU A 93 -3.441 15.526 -2.949 1.00 0.00 N ATOM 871 CA GLU A 93 -3.386 16.773 -2.135 1.00 0.00 C ATOM 872 C GLU A 93 -2.039 17.468 -2.353 1.00 0.00 C ATOM 873 O GLU A 93 -1.871 18.635 -2.059 1.00 0.00 O ATOM 874 CB GLU A 93 -3.524 16.297 -0.686 1.00 0.00 C ATOM 875 CG GLU A 93 -2.202 15.698 -0.213 1.00 0.00 C ATOM 876 CD GLU A 93 -1.585 16.600 0.859 1.00 0.00 C ATOM 877 OE1 GLU A 93 -2.297 16.967 1.778 1.00 0.00 O ATOM 878 OE2 GLU A 93 -0.410 16.907 0.741 1.00 0.00 O ATOM 0 H GLU A 93 -3.610 14.669 -2.422 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.163 17.489 -2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.806 17.132 -0.044 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.318 15.554 -0.611 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.367 14.698 0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.516 15.594 -1.054 1.00 0.00 H new ATOM 885 N LEU A 94 -1.081 16.747 -2.868 1.00 0.00 N ATOM 886 CA LEU A 94 0.262 17.342 -3.109 1.00 0.00 C ATOM 887 C LEU A 94 0.252 18.146 -4.409 1.00 0.00 C ATOM 888 O LEU A 94 0.521 19.330 -4.419 1.00 0.00 O ATOM 889 CB LEU A 94 1.205 16.144 -3.217 1.00 0.00 C ATOM 890 CG LEU A 94 2.549 16.595 -3.788 1.00 0.00 C ATOM 891 CD1 LEU A 94 3.661 15.718 -3.212 1.00 0.00 C ATOM 892 CD2 LEU A 94 2.529 16.454 -5.312 1.00 0.00 C ATOM 0 H LEU A 94 -1.172 15.766 -3.133 1.00 0.00 H new ATOM 0 HA LEU A 94 0.566 18.027 -2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.349 15.693 -2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.765 15.380 -3.857 1.00 0.00 H new ATOM 0 HG LEU A 94 2.728 17.637 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.622 16.036 -3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.675 15.814 -2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.480 14.677 -3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.487 16.776 -5.720 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.352 15.412 -5.579 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.733 17.074 -5.724 1.00 0.00 H new ATOM 904 N LEU A 95 -0.066 17.515 -5.505 1.00 0.00 N ATOM 905 CA LEU A 95 -0.097 18.276 -6.795 1.00 0.00 C ATOM 906 C LEU A 95 -1.450 18.963 -6.977 1.00 0.00 C ATOM 907 O LEU A 95 -1.531 20.039 -7.535 1.00 0.00 O ATOM 908 CB LEU A 95 0.197 17.312 -7.957 1.00 0.00 C ATOM 909 CG LEU A 95 -0.094 15.866 -7.585 1.00 0.00 C ATOM 910 CD1 LEU A 95 -1.575 15.720 -7.254 1.00 0.00 C ATOM 911 CD2 LEU A 95 0.258 14.976 -8.771 1.00 0.00 C ATOM 0 H LEU A 95 -0.302 16.525 -5.569 1.00 0.00 H new ATOM 0 HA LEU A 95 0.667 19.053 -6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.405 17.592 -8.822 1.00 0.00 H new ATOM 0 HB3 LEU A 95 1.242 17.407 -8.252 1.00 0.00 H new ATOM 0 HG LEU A 95 0.498 15.574 -6.717 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.788 14.685 -6.987 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.826 16.370 -6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.171 16.000 -8.122 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.054 13.935 -8.518 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -0.343 15.264 -9.633 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.315 15.091 -9.011 1.00 0.00 H new ATOM 923 N GLY A 96 -2.513 18.373 -6.508 1.00 0.00 N ATOM 924 CA GLY A 96 -3.835 19.036 -6.661 1.00 0.00 C ATOM 925 C GLY A 96 -4.790 18.531 -5.585 1.00 0.00 C ATOM 926 O GLY A 96 -5.087 19.218 -4.628 1.00 0.00 O ATOM 0 H GLY A 96 -2.524 17.471 -6.031 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.722 20.117 -6.582 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -4.244 18.830 -7.650 1.00 0.00 H new ATOM 930 N LYS A 97 -5.268 17.331 -5.743 1.00 0.00 N ATOM 931 CA LYS A 97 -6.214 16.740 -4.749 1.00 0.00 C ATOM 932 C LYS A 97 -6.920 15.544 -5.387 1.00 0.00 C ATOM 933 O LYS A 97 -6.845 14.437 -4.891 1.00 0.00 O ATOM 934 CB LYS A 97 -7.229 17.841 -4.421 1.00 0.00 C ATOM 935 CG LYS A 97 -7.063 18.271 -2.964 1.00 0.00 C ATOM 936 CD LYS A 97 -7.685 17.217 -2.045 1.00 0.00 C ATOM 937 CE LYS A 97 -8.098 17.874 -0.728 1.00 0.00 C ATOM 938 NZ LYS A 97 -9.265 18.731 -1.077 1.00 0.00 N ATOM 0 H LYS A 97 -5.042 16.722 -6.530 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.705 16.397 -3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.081 18.695 -5.082 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.243 17.478 -4.591 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -6.006 18.395 -2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.541 19.237 -2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.552 16.765 -2.526 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.971 16.416 -1.856 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -8.366 17.127 0.019 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.284 18.466 -0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -8.938 19.698 -1.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.740 18.345 -1.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -9.933 18.749 -0.280 1.00 0.00 H new ATOM 952 N PRO A 98 -7.574 15.814 -6.485 1.00 0.00 N ATOM 953 CA PRO A 98 -8.290 14.751 -7.227 1.00 0.00 C ATOM 954 C PRO A 98 -7.286 13.885 -7.988 1.00 0.00 C ATOM 955 O PRO A 98 -7.587 12.773 -8.374 1.00 0.00 O ATOM 956 CB PRO A 98 -9.184 15.525 -8.190 1.00 0.00 C ATOM 957 CG PRO A 98 -8.509 16.846 -8.379 1.00 0.00 C ATOM 958 CD PRO A 98 -7.709 17.126 -7.133 1.00 0.00 C ATOM 0 HA PRO A 98 -8.857 14.077 -6.584 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -9.290 14.998 -9.138 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -10.187 15.650 -7.781 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -7.860 16.824 -9.255 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -9.245 17.632 -8.547 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -6.735 17.553 -7.373 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -8.219 17.839 -6.485 1.00 0.00 H new ATOM 966 N PHE A 99 -6.088 14.372 -8.198 1.00 0.00 N ATOM 967 CA PHE A 99 -5.090 13.545 -8.920 1.00 0.00 C ATOM 968 C PHE A 99 -5.021 12.179 -8.258 1.00 0.00 C ATOM 969 O PHE A 99 -5.027 11.158 -8.909 1.00 0.00 O ATOM 970 CB PHE A 99 -3.757 14.267 -8.771 1.00 0.00 C ATOM 971 CG PHE A 99 -2.623 13.276 -8.942 1.00 0.00 C ATOM 972 CD1 PHE A 99 -2.249 12.450 -7.872 1.00 0.00 C ATOM 973 CD2 PHE A 99 -1.945 13.190 -10.162 1.00 0.00 C ATOM 974 CE1 PHE A 99 -1.196 11.540 -8.027 1.00 0.00 C ATOM 975 CE2 PHE A 99 -0.891 12.281 -10.316 1.00 0.00 C ATOM 976 CZ PHE A 99 -0.516 11.456 -9.249 1.00 0.00 C ATOM 0 H PHE A 99 -5.767 15.294 -7.903 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.345 13.409 -9.971 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.676 15.060 -9.514 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.695 14.741 -7.791 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.772 12.516 -6.930 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.234 13.825 -10.986 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.908 10.903 -7.204 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.367 12.216 -11.258 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.297 10.755 -9.368 1.00 0.00 H new ATOM 986 N SER A 100 -4.949 12.182 -6.955 1.00 0.00 N ATOM 987 CA SER A 100 -4.873 10.914 -6.185 1.00 0.00 C ATOM 988 C SER A 100 -5.636 9.805 -6.904 1.00 0.00 C ATOM 989 O SER A 100 -5.067 8.856 -7.413 1.00 0.00 O ATOM 990 CB SER A 100 -5.545 11.248 -4.853 1.00 0.00 C ATOM 991 OG SER A 100 -6.154 10.080 -4.319 1.00 0.00 O ATOM 0 H SER A 100 -4.940 13.027 -6.384 1.00 0.00 H new ATOM 0 HA SER A 100 -3.850 10.557 -6.063 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.809 11.640 -4.151 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.294 12.027 -4.997 1.00 0.00 H new ATOM 0 HG SER A 100 -6.583 10.296 -3.465 1.00 0.00 H new ATOM 997 N VAL A 101 -6.920 9.918 -6.948 1.00 0.00 N ATOM 998 CA VAL A 101 -7.717 8.873 -7.617 1.00 0.00 C ATOM 999 C VAL A 101 -7.567 8.937 -9.142 1.00 0.00 C ATOM 1000 O VAL A 101 -7.138 7.989 -9.759 1.00 0.00 O ATOM 1001 CB VAL A 101 -9.127 9.131 -7.145 1.00 0.00 C ATOM 1002 CG1 VAL A 101 -10.103 9.210 -8.323 1.00 0.00 C ATOM 1003 CG2 VAL A 101 -9.525 7.993 -6.206 1.00 0.00 C ATOM 0 H VAL A 101 -7.455 10.690 -6.549 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.392 7.863 -7.367 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.168 10.089 -6.627 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -11.110 9.397 -7.949 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -9.806 10.021 -8.988 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.088 8.268 -8.871 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.542 8.155 -5.849 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.475 7.045 -6.742 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.842 7.967 -5.357 1.00 0.00 H new ATOM 1013 N TYR A 102 -7.907 10.034 -9.765 1.00 0.00 N ATOM 1014 CA TYR A 102 -7.760 10.094 -11.248 1.00 0.00 C ATOM 1015 C TYR A 102 -6.403 9.501 -11.631 1.00 0.00 C ATOM 1016 O TYR A 102 -6.240 8.852 -12.654 1.00 0.00 O ATOM 1017 CB TYR A 102 -7.830 11.583 -11.599 1.00 0.00 C ATOM 1018 CG TYR A 102 -8.921 11.814 -12.619 1.00 0.00 C ATOM 1019 CD1 TYR A 102 -10.249 11.483 -12.314 1.00 0.00 C ATOM 1020 CD2 TYR A 102 -8.607 12.361 -13.869 1.00 0.00 C ATOM 1021 CE1 TYR A 102 -11.259 11.698 -13.261 1.00 0.00 C ATOM 1022 CE2 TYR A 102 -9.617 12.576 -14.814 1.00 0.00 C ATOM 1023 CZ TYR A 102 -10.944 12.245 -14.510 1.00 0.00 C ATOM 1024 OH TYR A 102 -11.940 12.456 -15.445 1.00 0.00 O ATOM 0 H TYR A 102 -8.273 10.876 -9.321 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.527 9.532 -11.780 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -8.027 12.169 -10.702 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.872 11.919 -11.995 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -10.493 11.063 -11.350 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.585 12.617 -14.104 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -12.282 11.441 -13.027 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -9.373 12.997 -15.778 1.00 0.00 H new ATOM 0 HH TYR A 102 -11.550 12.843 -16.257 1.00 0.00 H new ATOM 1034 N ASP A 103 -5.438 9.688 -10.776 1.00 0.00 N ATOM 1035 CA ASP A 103 -4.092 9.130 -11.039 1.00 0.00 C ATOM 1036 C ASP A 103 -4.173 7.615 -11.039 1.00 0.00 C ATOM 1037 O ASP A 103 -3.607 6.958 -11.887 1.00 0.00 O ATOM 1038 CB ASP A 103 -3.217 9.623 -9.888 1.00 0.00 C ATOM 1039 CG ASP A 103 -1.792 9.096 -10.066 1.00 0.00 C ATOM 1040 OD1 ASP A 103 -1.147 9.500 -11.021 1.00 0.00 O ATOM 1041 OD2 ASP A 103 -1.367 8.301 -9.244 1.00 0.00 O ATOM 0 H ASP A 103 -5.528 10.207 -9.903 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.689 9.440 -12.003 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -3.212 10.713 -9.862 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -3.625 9.283 -8.936 1.00 0.00 H new ATOM 1046 N LEU A 104 -4.885 7.040 -10.110 1.00 0.00 N ATOM 1047 CA LEU A 104 -4.977 5.563 -10.116 1.00 0.00 C ATOM 1048 C LEU A 104 -5.920 5.114 -11.232 1.00 0.00 C ATOM 1049 O LEU A 104 -5.637 4.187 -11.947 1.00 0.00 O ATOM 1050 CB LEU A 104 -5.469 5.158 -8.720 1.00 0.00 C ATOM 1051 CG LEU A 104 -6.985 5.306 -8.603 1.00 0.00 C ATOM 1052 CD1 LEU A 104 -7.664 4.019 -9.060 1.00 0.00 C ATOM 1053 CD2 LEU A 104 -7.352 5.595 -7.146 1.00 0.00 C ATOM 0 H LEU A 104 -5.394 7.518 -9.366 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.020 5.082 -10.317 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.185 4.125 -8.517 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.982 5.776 -7.966 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.321 6.129 -9.234 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.745 4.128 -8.975 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.400 3.817 -10.098 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.333 3.191 -8.434 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.433 5.701 -7.057 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.016 4.772 -6.516 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.869 6.518 -6.825 1.00 0.00 H new ATOM 1065 N LEU A 105 -7.019 5.775 -11.435 1.00 0.00 N ATOM 1066 CA LEU A 105 -7.910 5.341 -12.544 1.00 0.00 C ATOM 1067 C LEU A 105 -7.126 5.305 -13.859 1.00 0.00 C ATOM 1068 O LEU A 105 -7.552 4.714 -14.832 1.00 0.00 O ATOM 1069 CB LEU A 105 -9.018 6.389 -12.605 1.00 0.00 C ATOM 1070 CG LEU A 105 -9.883 6.294 -11.349 1.00 0.00 C ATOM 1071 CD1 LEU A 105 -10.702 7.576 -11.203 1.00 0.00 C ATOM 1072 CD2 LEU A 105 -10.828 5.095 -11.469 1.00 0.00 C ATOM 0 H LEU A 105 -7.337 6.580 -10.896 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.313 4.341 -12.384 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.585 7.386 -12.686 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -9.630 6.234 -13.493 1.00 0.00 H new ATOM 0 HG LEU A 105 -9.245 6.166 -10.474 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -11.321 7.512 -10.308 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.030 8.430 -11.119 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -11.341 7.701 -12.077 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -11.445 5.027 -10.573 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -11.468 5.222 -12.342 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -10.244 4.181 -11.578 1.00 0.00 H new ATOM 1084 N ILE A 106 -5.982 5.935 -13.894 1.00 0.00 N ATOM 1085 CA ILE A 106 -5.165 5.945 -15.136 1.00 0.00 C ATOM 1086 C ILE A 106 -4.112 4.828 -15.087 1.00 0.00 C ATOM 1087 O ILE A 106 -3.917 4.106 -16.045 1.00 0.00 O ATOM 1088 CB ILE A 106 -4.521 7.334 -15.148 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -5.321 8.256 -16.069 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -3.076 7.263 -15.643 1.00 0.00 C ATOM 1091 CD1 ILE A 106 -5.160 9.704 -15.605 1.00 0.00 C ATOM 0 H ILE A 106 -5.578 6.446 -13.109 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.749 5.763 -16.038 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.522 7.723 -14.130 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.974 8.151 -17.097 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.374 7.974 -16.058 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.642 8.263 -15.642 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.497 6.615 -14.985 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.058 6.861 -16.656 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.730 10.362 -16.261 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.528 9.802 -14.584 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.107 9.982 -15.639 1.00 0.00 H new ATOM 1103 N ASN A 107 -3.414 4.698 -13.989 1.00 0.00 N ATOM 1104 CA ASN A 107 -2.363 3.652 -13.900 1.00 0.00 C ATOM 1105 C ASN A 107 -2.719 2.561 -12.880 1.00 0.00 C ATOM 1106 O ASN A 107 -2.005 1.587 -12.741 1.00 0.00 O ATOM 1107 CB ASN A 107 -1.119 4.408 -13.452 1.00 0.00 C ATOM 1108 CG ASN A 107 -1.453 5.301 -12.269 1.00 0.00 C ATOM 1109 OD1 ASN A 107 -1.388 6.512 -12.361 1.00 0.00 O ATOM 1110 ND2 ASN A 107 -1.799 4.748 -11.152 1.00 0.00 N ATOM 0 H ASN A 107 -3.529 5.272 -13.154 1.00 0.00 H new ATOM 0 HA ASN A 107 -2.233 3.134 -14.850 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -0.334 3.703 -13.176 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -0.733 5.009 -14.275 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -2.019 5.328 -10.342 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -1.852 3.732 -11.081 1.00 0.00 H new ATOM 1117 N VAL A 108 -3.805 2.696 -12.168 1.00 0.00 N ATOM 1118 CA VAL A 108 -4.165 1.636 -11.174 1.00 0.00 C ATOM 1119 C VAL A 108 -4.493 0.334 -11.903 1.00 0.00 C ATOM 1120 O VAL A 108 -4.670 -0.700 -11.291 1.00 0.00 O ATOM 1121 CB VAL A 108 -5.402 2.146 -10.429 1.00 0.00 C ATOM 1122 CG1 VAL A 108 -6.646 2.001 -11.315 1.00 0.00 C ATOM 1123 CG2 VAL A 108 -5.603 1.326 -9.156 1.00 0.00 C ATOM 0 H VAL A 108 -4.453 3.482 -12.227 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.343 1.438 -10.486 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.255 3.196 -10.178 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -7.521 2.366 -10.777 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.513 2.582 -12.227 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.790 0.951 -11.571 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.483 1.688 -8.625 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.743 0.277 -9.417 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.726 1.427 -8.516 1.00 0.00 H new ATOM 1133 N SER A 109 -4.586 0.392 -13.206 1.00 0.00 N ATOM 1134 CA SER A 109 -4.907 -0.827 -14.015 1.00 0.00 C ATOM 1135 C SER A 109 -4.312 -2.095 -13.402 1.00 0.00 C ATOM 1136 O SER A 109 -4.834 -3.178 -13.572 1.00 0.00 O ATOM 1137 CB SER A 109 -4.277 -0.552 -15.380 1.00 0.00 C ATOM 1138 OG SER A 109 -3.540 0.664 -15.333 1.00 0.00 O ATOM 0 H SER A 109 -4.452 1.242 -13.753 1.00 0.00 H new ATOM 0 HA SER A 109 -5.982 -1.001 -14.066 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.620 -1.376 -15.661 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.053 -0.489 -16.143 1.00 0.00 H new ATOM 0 HG SER A 109 -4.112 1.405 -15.624 1.00 0.00 H new ATOM 1144 N SER A 110 -3.240 -1.974 -12.689 1.00 0.00 N ATOM 1145 CA SER A 110 -2.615 -3.169 -12.056 1.00 0.00 C ATOM 1146 C SER A 110 -3.529 -3.803 -11.003 1.00 0.00 C ATOM 1147 O SER A 110 -3.115 -4.692 -10.286 1.00 0.00 O ATOM 1148 CB SER A 110 -1.399 -2.599 -11.355 1.00 0.00 C ATOM 1149 OG SER A 110 -1.702 -2.412 -9.978 1.00 0.00 O ATOM 0 H SER A 110 -2.760 -1.092 -12.512 1.00 0.00 H new ATOM 0 HA SER A 110 -2.399 -3.944 -12.791 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.550 -3.274 -11.465 1.00 0.00 H new ATOM 0 HB3 SER A 110 -1.113 -1.650 -11.809 1.00 0.00 H new ATOM 0 HG SER A 110 -1.587 -3.260 -9.500 1.00 0.00 H new ATOM 1155 N THR A 111 -4.738 -3.345 -10.853 1.00 0.00 N ATOM 1156 CA THR A 111 -5.587 -3.941 -9.788 1.00 0.00 C ATOM 1157 C THR A 111 -5.833 -5.436 -10.033 1.00 0.00 C ATOM 1158 O THR A 111 -6.372 -6.128 -9.191 1.00 0.00 O ATOM 1159 CB THR A 111 -6.901 -3.164 -9.837 1.00 0.00 C ATOM 1160 OG1 THR A 111 -7.597 -3.483 -11.035 1.00 0.00 O ATOM 1161 CG2 THR A 111 -6.604 -1.667 -9.800 1.00 0.00 C ATOM 0 H THR A 111 -5.167 -2.603 -11.406 1.00 0.00 H new ATOM 0 HA THR A 111 -5.104 -3.872 -8.813 1.00 0.00 H new ATOM 0 HB THR A 111 -7.517 -3.434 -8.980 1.00 0.00 H new ATOM 0 HG1 THR A 111 -8.441 -2.986 -11.065 1.00 0.00 H new ATOM 0 HG21 THR A 111 -7.540 -1.109 -9.835 1.00 0.00 H new ATOM 0 HG22 THR A 111 -6.071 -1.424 -8.881 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.989 -1.397 -10.658 1.00 0.00 H new ATOM 1169 N VAL A 112 -5.444 -5.943 -11.170 1.00 0.00 N ATOM 1170 CA VAL A 112 -5.659 -7.393 -11.452 1.00 0.00 C ATOM 1171 C VAL A 112 -7.104 -7.787 -11.131 1.00 0.00 C ATOM 1172 O VAL A 112 -7.985 -7.673 -11.960 1.00 0.00 O ATOM 1173 CB VAL A 112 -4.681 -8.129 -10.536 1.00 0.00 C ATOM 1174 CG1 VAL A 112 -5.071 -9.606 -10.449 1.00 0.00 C ATOM 1175 CG2 VAL A 112 -3.264 -8.012 -11.106 1.00 0.00 C ATOM 0 H VAL A 112 -4.987 -5.418 -11.916 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.491 -7.638 -12.501 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.714 -7.686 -9.541 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -4.373 -10.129 -9.796 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -6.080 -9.693 -10.045 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -5.039 -10.050 -11.444 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -2.565 -8.536 -10.454 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.234 -8.456 -12.101 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -2.983 -6.961 -11.169 1.00 0.00 H new ATOM 1185 N GLY A 113 -7.358 -8.254 -9.938 1.00 0.00 N ATOM 1186 CA GLY A 113 -8.750 -8.653 -9.587 1.00 0.00 C ATOM 1187 C GLY A 113 -9.087 -8.193 -8.166 1.00 0.00 C ATOM 1188 O GLY A 113 -10.196 -8.362 -7.699 1.00 0.00 O ATOM 0 H GLY A 113 -6.667 -8.376 -9.197 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -9.452 -8.214 -10.296 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -8.856 -9.735 -9.662 1.00 0.00 H new ATOM 1192 N ARG A 114 -8.143 -7.621 -7.469 1.00 0.00 N ATOM 1193 CA ARG A 114 -8.409 -7.170 -6.097 1.00 0.00 C ATOM 1194 C ARG A 114 -8.091 -5.681 -5.947 1.00 0.00 C ATOM 1195 O ARG A 114 -7.191 -5.161 -6.578 1.00 0.00 O ATOM 1196 CB ARG A 114 -7.482 -8.012 -5.244 1.00 0.00 C ATOM 1197 CG ARG A 114 -8.306 -8.945 -4.353 1.00 0.00 C ATOM 1198 CD ARG A 114 -8.171 -10.384 -4.860 1.00 0.00 C ATOM 1199 NE ARG A 114 -9.297 -11.124 -4.226 1.00 0.00 N ATOM 1200 CZ ARG A 114 -9.393 -12.419 -4.376 1.00 0.00 C ATOM 1201 NH1 ARG A 114 -8.316 -13.143 -4.513 1.00 0.00 N ATOM 1202 NH2 ARG A 114 -10.567 -12.989 -4.384 1.00 0.00 N ATOM 0 H ARG A 114 -7.195 -7.451 -7.805 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.455 -7.285 -5.811 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -6.816 -8.595 -5.880 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -6.853 -7.368 -4.629 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -7.962 -8.878 -3.321 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -9.353 -8.642 -4.360 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -8.233 -10.427 -5.947 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -7.209 -10.813 -4.579 1.00 0.00 H new ATOM 0 HE ARG A 114 -9.993 -10.621 -3.675 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -7.398 -12.699 -4.503 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -8.392 -14.153 -4.630 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -11.409 -12.424 -4.273 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -10.643 -13.999 -4.501 1.00 0.00 H new ATOM 1216 N ALA A 115 -8.822 -4.989 -5.118 1.00 0.00 N ATOM 1217 CA ALA A 115 -8.558 -3.534 -4.931 1.00 0.00 C ATOM 1218 C ALA A 115 -9.357 -3.000 -3.742 1.00 0.00 C ATOM 1219 O ALA A 115 -10.393 -2.387 -3.905 1.00 0.00 O ATOM 1220 CB ALA A 115 -9.025 -2.877 -6.230 1.00 0.00 C ATOM 0 H ALA A 115 -9.590 -5.367 -4.563 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.508 -3.328 -4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.864 -1.801 -6.172 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -8.459 -3.284 -7.068 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.086 -3.077 -6.378 1.00 0.00 H new ATOM 1226 N TYR A 116 -8.880 -3.218 -2.547 1.00 0.00 N ATOM 1227 CA TYR A 116 -9.614 -2.708 -1.355 1.00 0.00 C ATOM 1228 C TYR A 116 -9.528 -1.183 -1.331 1.00 0.00 C ATOM 1229 O TYR A 116 -8.616 -0.609 -0.769 1.00 0.00 O ATOM 1230 CB TYR A 116 -8.888 -3.313 -0.153 1.00 0.00 C ATOM 1231 CG TYR A 116 -9.409 -4.708 0.097 1.00 0.00 C ATOM 1232 CD1 TYR A 116 -10.600 -4.894 0.810 1.00 0.00 C ATOM 1233 CD2 TYR A 116 -8.702 -5.816 -0.385 1.00 0.00 C ATOM 1234 CE1 TYR A 116 -11.083 -6.187 1.041 1.00 0.00 C ATOM 1235 CE2 TYR A 116 -9.185 -7.110 -0.154 1.00 0.00 C ATOM 1236 CZ TYR A 116 -10.376 -7.295 0.559 1.00 0.00 C ATOM 1237 OH TYR A 116 -10.852 -8.570 0.787 1.00 0.00 O ATOM 0 H TYR A 116 -8.018 -3.725 -2.345 1.00 0.00 H new ATOM 0 HA TYR A 116 -10.670 -2.977 -1.357 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -7.814 -3.342 -0.339 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -9.042 -2.692 0.729 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -11.146 -4.039 1.182 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -7.784 -5.673 -0.935 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -12.001 -6.330 1.591 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -8.639 -7.965 -0.526 1.00 0.00 H new ATOM 0 HH TYR A 116 -10.243 -9.224 0.385 1.00 0.00 H new ATOM 1247 N THR A 117 -10.460 -0.524 -1.959 1.00 0.00 N ATOM 1248 CA THR A 117 -10.424 0.963 -2.000 1.00 0.00 C ATOM 1249 C THR A 117 -10.946 1.568 -0.695 1.00 0.00 C ATOM 1250 O THR A 117 -11.774 0.998 -0.014 1.00 0.00 O ATOM 1251 CB THR A 117 -11.327 1.345 -3.163 1.00 0.00 C ATOM 1252 OG1 THR A 117 -11.190 2.734 -3.435 1.00 0.00 O ATOM 1253 CG2 THR A 117 -12.766 1.034 -2.789 1.00 0.00 C ATOM 0 H THR A 117 -11.247 -0.952 -2.447 1.00 0.00 H new ATOM 0 HA THR A 117 -9.408 1.337 -2.123 1.00 0.00 H new ATOM 0 HB THR A 117 -11.048 0.780 -4.052 1.00 0.00 H new ATOM 0 HG1 THR A 117 -11.771 2.979 -4.185 1.00 0.00 H new ATOM 0 HG21 THR A 117 -13.423 1.304 -3.616 1.00 0.00 H new ATOM 0 HG22 THR A 117 -12.865 -0.031 -2.579 1.00 0.00 H new ATOM 0 HG23 THR A 117 -13.043 1.606 -1.903 1.00 0.00 H new ATOM 1261 N LEU A 118 -10.462 2.729 -0.358 1.00 0.00 N ATOM 1262 CA LEU A 118 -10.903 3.414 0.886 1.00 0.00 C ATOM 1263 C LEU A 118 -11.201 4.866 0.578 1.00 0.00 C ATOM 1264 O LEU A 118 -10.561 5.763 1.091 1.00 0.00 O ATOM 1265 CB LEU A 118 -9.730 3.291 1.862 1.00 0.00 C ATOM 1266 CG LEU A 118 -10.007 2.163 2.857 1.00 0.00 C ATOM 1267 CD1 LEU A 118 -8.847 1.166 2.837 1.00 0.00 C ATOM 1268 CD2 LEU A 118 -10.151 2.747 4.265 1.00 0.00 C ATOM 0 H LEU A 118 -9.767 3.241 -0.902 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.808 2.977 1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.809 3.089 1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -9.586 4.232 2.394 1.00 0.00 H new ATOM 0 HG LEU A 118 -10.929 1.653 2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -9.045 0.363 3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -8.743 0.748 1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.924 1.676 3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.348 1.943 4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -9.229 3.258 4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.978 3.457 4.282 1.00 0.00 H new ATOM 1280 N GLY A 119 -12.169 5.102 -0.267 1.00 0.00 N ATOM 1281 CA GLY A 119 -12.522 6.497 -0.627 1.00 0.00 C ATOM 1282 C GLY A 119 -11.367 7.133 -1.383 1.00 0.00 C ATOM 1283 O GLY A 119 -11.495 7.555 -2.515 1.00 0.00 O ATOM 0 H GLY A 119 -12.730 4.382 -0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -13.423 6.509 -1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -12.742 7.072 0.273 1.00 0.00 H new ATOM 1287 N THR A 120 -10.246 7.213 -0.746 1.00 0.00 N ATOM 1288 CA THR A 120 -9.053 7.836 -1.392 1.00 0.00 C ATOM 1289 C THR A 120 -7.894 6.841 -1.540 1.00 0.00 C ATOM 1290 O THR A 120 -7.140 6.897 -2.491 1.00 0.00 O ATOM 1291 CB THR A 120 -8.659 8.983 -0.462 1.00 0.00 C ATOM 1292 OG1 THR A 120 -9.019 8.654 0.873 1.00 0.00 O ATOM 1293 CG2 THR A 120 -9.389 10.257 -0.892 1.00 0.00 C ATOM 0 H THR A 120 -10.094 6.873 0.204 1.00 0.00 H new ATOM 0 HA THR A 120 -9.282 8.173 -2.403 1.00 0.00 H new ATOM 0 HB THR A 120 -7.583 9.146 -0.516 1.00 0.00 H new ATOM 0 HG1 THR A 120 -8.765 9.388 1.471 1.00 0.00 H new ATOM 0 HG21 THR A 120 -9.110 11.077 -0.230 1.00 0.00 H new ATOM 0 HG22 THR A 120 -9.112 10.507 -1.916 1.00 0.00 H new ATOM 0 HG23 THR A 120 -10.466 10.096 -0.836 1.00 0.00 H new ATOM 1301 N LYS A 121 -7.728 5.948 -0.602 1.00 0.00 N ATOM 1302 CA LYS A 121 -6.591 4.978 -0.699 1.00 0.00 C ATOM 1303 C LYS A 121 -7.087 3.592 -1.108 1.00 0.00 C ATOM 1304 O LYS A 121 -8.184 3.205 -0.788 1.00 0.00 O ATOM 1305 CB LYS A 121 -5.992 4.928 0.703 1.00 0.00 C ATOM 1306 CG LYS A 121 -5.533 6.326 1.122 1.00 0.00 C ATOM 1307 CD LYS A 121 -6.406 6.827 2.273 1.00 0.00 C ATOM 1308 CE LYS A 121 -6.207 5.928 3.496 1.00 0.00 C ATOM 1309 NZ LYS A 121 -5.148 6.599 4.303 1.00 0.00 N ATOM 0 H LYS A 121 -8.322 5.845 0.221 1.00 0.00 H new ATOM 0 HA LYS A 121 -5.865 5.285 -1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -6.730 4.551 1.410 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -5.149 4.237 0.724 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -4.488 6.300 1.429 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -5.600 7.011 0.276 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -6.145 7.856 2.519 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -7.454 6.826 1.975 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -7.131 5.826 4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -5.902 4.924 3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -4.957 6.040 5.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -4.278 6.676 3.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -5.469 7.550 4.575 1.00 0.00 H new ATOM 1323 N PHE A 122 -6.282 2.834 -1.802 1.00 0.00 N ATOM 1324 CA PHE A 122 -6.726 1.471 -2.210 1.00 0.00 C ATOM 1325 C PHE A 122 -5.604 0.455 -1.986 1.00 0.00 C ATOM 1326 O PHE A 122 -4.458 0.809 -1.804 1.00 0.00 O ATOM 1327 CB PHE A 122 -7.096 1.562 -3.698 1.00 0.00 C ATOM 1328 CG PHE A 122 -6.181 2.517 -4.439 1.00 0.00 C ATOM 1329 CD1 PHE A 122 -6.263 3.899 -4.208 1.00 0.00 C ATOM 1330 CD2 PHE A 122 -5.267 2.022 -5.380 1.00 0.00 C ATOM 1331 CE1 PHE A 122 -5.431 4.778 -4.911 1.00 0.00 C ATOM 1332 CE2 PHE A 122 -4.442 2.904 -6.086 1.00 0.00 C ATOM 1333 CZ PHE A 122 -4.522 4.281 -5.851 1.00 0.00 C ATOM 0 H PHE A 122 -5.343 3.097 -2.102 1.00 0.00 H new ATOM 0 HA PHE A 122 -7.578 1.137 -1.618 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -7.035 0.572 -4.151 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -8.129 1.895 -3.798 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -6.969 4.285 -3.487 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -5.200 0.959 -5.560 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -5.491 5.841 -4.728 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -3.742 2.521 -6.814 1.00 0.00 H new ATOM 0 HZ PHE A 122 -3.882 4.960 -6.395 1.00 0.00 H new ATOM 1343 N THR A 123 -5.931 -0.810 -1.990 1.00 0.00 N ATOM 1344 CA THR A 123 -4.912 -1.847 -1.775 1.00 0.00 C ATOM 1345 C THR A 123 -5.166 -3.012 -2.739 1.00 0.00 C ATOM 1346 O THR A 123 -6.287 -3.276 -3.117 1.00 0.00 O ATOM 1347 CB THR A 123 -5.089 -2.252 -0.302 1.00 0.00 C ATOM 1348 OG1 THR A 123 -4.083 -1.624 0.480 1.00 0.00 O ATOM 1349 CG2 THR A 123 -4.986 -3.769 -0.137 1.00 0.00 C ATOM 0 H THR A 123 -6.877 -1.161 -2.136 1.00 0.00 H new ATOM 0 HA THR A 123 -3.892 -1.514 -1.966 1.00 0.00 H new ATOM 0 HB THR A 123 -6.077 -1.934 0.030 1.00 0.00 H new ATOM 0 HG1 THR A 123 -4.441 -1.418 1.369 1.00 0.00 H new ATOM 0 HG21 THR A 123 -5.114 -4.030 0.913 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.763 -4.253 -0.729 1.00 0.00 H new ATOM 0 HG23 THR A 123 -4.007 -4.106 -0.478 1.00 0.00 H new ATOM 1357 N ILE A 124 -4.138 -3.706 -3.144 1.00 0.00 N ATOM 1358 CA ILE A 124 -4.344 -4.842 -4.095 1.00 0.00 C ATOM 1359 C ILE A 124 -3.738 -6.126 -3.519 1.00 0.00 C ATOM 1360 O ILE A 124 -2.858 -6.085 -2.683 1.00 0.00 O ATOM 1361 CB ILE A 124 -3.630 -4.455 -5.405 1.00 0.00 C ATOM 1362 CG1 ILE A 124 -3.143 -2.998 -5.367 1.00 0.00 C ATOM 1363 CG2 ILE A 124 -4.599 -4.622 -6.575 1.00 0.00 C ATOM 1364 CD1 ILE A 124 -4.344 -2.048 -5.360 1.00 0.00 C ATOM 0 H ILE A 124 -3.172 -3.540 -2.862 1.00 0.00 H new ATOM 0 HA ILE A 124 -5.405 -5.026 -4.267 1.00 0.00 H new ATOM 0 HB ILE A 124 -2.765 -5.107 -5.526 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -2.532 -2.833 -4.480 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -2.511 -2.794 -6.232 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -4.098 -4.349 -7.504 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -4.927 -5.660 -6.631 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -5.464 -3.976 -6.426 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -3.992 -1.017 -5.333 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.938 -2.205 -6.261 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.958 -2.245 -4.481 1.00 0.00 H new ATOM 1376 N THR A 125 -4.204 -7.268 -3.955 1.00 0.00 N ATOM 1377 CA THR A 125 -3.649 -8.545 -3.421 1.00 0.00 C ATOM 1378 C THR A 125 -3.966 -9.708 -4.366 1.00 0.00 C ATOM 1379 O THR A 125 -4.823 -9.612 -5.221 1.00 0.00 O ATOM 1380 CB THR A 125 -4.355 -8.743 -2.080 1.00 0.00 C ATOM 1381 OG1 THR A 125 -3.937 -9.972 -1.500 1.00 0.00 O ATOM 1382 CG2 THR A 125 -5.867 -8.767 -2.300 1.00 0.00 C ATOM 0 H THR A 125 -4.940 -7.370 -4.653 1.00 0.00 H new ATOM 0 HA THR A 125 -2.564 -8.511 -3.319 1.00 0.00 H new ATOM 0 HB THR A 125 -4.100 -7.923 -1.409 1.00 0.00 H new ATOM 0 HG1 THR A 125 -4.389 -10.098 -0.639 1.00 0.00 H new ATOM 0 HG21 THR A 125 -6.372 -8.908 -1.344 1.00 0.00 H new ATOM 0 HG22 THR A 125 -6.185 -7.823 -2.742 1.00 0.00 H new ATOM 0 HG23 THR A 125 -6.124 -9.587 -2.971 1.00 0.00 H new ATOM 1390 N SER A 126 -3.280 -10.809 -4.214 1.00 0.00 N ATOM 1391 CA SER A 126 -3.536 -11.979 -5.092 1.00 0.00 C ATOM 1392 C SER A 126 -4.722 -12.790 -4.561 1.00 0.00 C ATOM 1393 O SER A 126 -5.807 -12.756 -5.107 1.00 0.00 O ATOM 1394 CB SER A 126 -2.249 -12.793 -5.012 1.00 0.00 C ATOM 1395 OG SER A 126 -1.604 -12.527 -3.773 1.00 0.00 O ATOM 0 H SER A 126 -2.550 -10.945 -3.515 1.00 0.00 H new ATOM 0 HA SER A 126 -3.786 -11.695 -6.114 1.00 0.00 H new ATOM 0 HB2 SER A 126 -2.471 -13.857 -5.099 1.00 0.00 H new ATOM 0 HB3 SER A 126 -1.590 -12.536 -5.841 1.00 0.00 H new ATOM 0 HG SER A 126 -0.777 -13.049 -3.716 1.00 0.00 H new