USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 917 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 56 MET CE :methyl -163:sc= -0.0114 (180deg=0) USER MOD Set 1.2: A 59 MET CE :methyl -117:sc= -1.41 (180deg=-2.99!) USER MOD Set 2.1: A 4 SER OG : rot 26:sc= 0.861 USER MOD Set 2.2: A 54 THR OG1 : rot 175:sc= 0.0764 USER MOD Set 3.1: A 14 ASN :FLIP amide:sc= 1 F(o=-0.1,f=1.9) USER MOD Set 3.2: A 44 GLN :FLIP amide:sc= 0.861 F(o=-0.74,f=1.9) USER MOD Set 4.1: A 18 THR OG1 : rot 167:sc= -1.8! USER MOD Set 4.2: A 21 MET CE :methyl -171:sc= -2.26 (180deg=-2.66!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 9 GLN : amide:sc= -5.74! C(o=-5.7!,f=-8.6!) USER MOD Single : A 15 THR OG1 : rot -60:sc= -1.66! USER MOD Single : A 22 MET CE :methyl -109:sc= -0.229 (180deg=-1.62!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0923 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN :FLIP amide:sc= -1.24 F(o=-2.3!,f=-1.2) USER MOD Single : A 43 MET CE :methyl 136:sc= -2.66! (180deg=-6.56!) USER MOD Single : A 46 ASN : amide:sc= -0.0959 X(o=-0.096,f=-0.028) USER MOD Single : A 53 THR OG1 : rot 93:sc= -3.06! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -110:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.77! X(o=-1.8!,f=-1.9) USER MOD Single : A 79 GLN : amide:sc= -0.322 K(o=-0.32,f=-2.9!) USER MOD Single : A 84 ASN : amide:sc= 0.439 K(o=0.44,f=-0.74) USER MOD Single : A 85 THR OG1 : rot 94:sc= 1.15 USER MOD Single : A 88 THR OG1 : rot 152:sc= -2.5! USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl -169:sc= -1.58 (180deg=-1.91) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0.163 USER MOD Single : A 108 SER OG : rot 180:sc= -0.15 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 116 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.76 K(o=-0.76,f=-1.7!) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 2 -20.397 11.917 -1.921 1.00 0.00 N ATOM 18 CA LYS A 2 -20.050 10.994 -3.039 1.00 0.00 C ATOM 19 C LYS A 2 -20.093 9.541 -2.560 1.00 0.00 C ATOM 20 O LYS A 2 -20.114 9.269 -1.376 1.00 0.00 O ATOM 21 CB LYS A 2 -18.628 11.380 -3.448 1.00 0.00 C ATOM 22 CG LYS A 2 -18.664 12.682 -4.251 1.00 0.00 C ATOM 23 CD LYS A 2 -18.675 13.873 -3.291 1.00 0.00 C ATOM 24 CE LYS A 2 -18.692 15.175 -4.093 1.00 0.00 C ATOM 25 NZ LYS A 2 -19.985 15.826 -3.743 1.00 0.00 N ATOM 0 HA LYS A 2 -20.750 11.075 -3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -18.004 11.503 -2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -18.181 10.585 -4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -17.797 12.740 -4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -19.549 12.705 -4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -19.549 13.822 -2.642 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -17.797 13.842 -2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -17.846 15.811 -3.831 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -18.625 14.980 -5.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -20.070 16.727 -4.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -20.772 15.201 -4.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -20.017 16.006 -2.719 1.00 0.00 H new ATOM 39 N ALA A 3 -20.105 8.608 -3.470 1.00 0.00 N ATOM 40 CA ALA A 3 -20.144 7.173 -3.066 1.00 0.00 C ATOM 41 C ALA A 3 -18.760 6.720 -2.595 1.00 0.00 C ATOM 42 O ALA A 3 -17.749 7.105 -3.149 1.00 0.00 O ATOM 43 CB ALA A 3 -20.557 6.416 -4.327 1.00 0.00 C ATOM 0 H ALA A 3 -20.090 8.776 -4.476 1.00 0.00 H new ATOM 0 HA ALA A 3 -20.834 6.994 -2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -20.608 5.349 -4.110 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -21.535 6.766 -4.658 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -19.823 6.592 -5.114 1.00 0.00 H new ATOM 49 N SER A 4 -18.707 5.908 -1.576 1.00 0.00 N ATOM 50 CA SER A 4 -17.387 5.432 -1.071 1.00 0.00 C ATOM 51 C SER A 4 -17.138 3.991 -1.523 1.00 0.00 C ATOM 52 O SER A 4 -18.057 3.262 -1.839 1.00 0.00 O ATOM 53 CB SER A 4 -17.496 5.506 0.451 1.00 0.00 C ATOM 54 OG SER A 4 -16.238 5.180 1.028 1.00 0.00 O ATOM 0 H SER A 4 -19.519 5.553 -1.071 1.00 0.00 H new ATOM 0 HA SER A 4 -16.559 6.031 -1.449 1.00 0.00 H new ATOM 0 HB2 SER A 4 -17.801 6.507 0.757 1.00 0.00 H new ATOM 0 HB3 SER A 4 -18.262 4.816 0.806 1.00 0.00 H new ATOM 0 HG SER A 4 -15.523 5.380 0.388 1.00 0.00 H new ATOM 60 N VAL A 5 -15.902 3.576 -1.555 1.00 0.00 N ATOM 61 CA VAL A 5 -15.596 2.181 -1.987 1.00 0.00 C ATOM 62 C VAL A 5 -15.944 1.195 -0.870 1.00 0.00 C ATOM 63 O VAL A 5 -15.169 0.972 0.040 1.00 0.00 O ATOM 64 CB VAL A 5 -14.093 2.174 -2.261 1.00 0.00 C ATOM 65 CG1 VAL A 5 -13.616 0.734 -2.461 1.00 0.00 C ATOM 66 CG2 VAL A 5 -13.803 2.985 -3.527 1.00 0.00 C ATOM 0 H VAL A 5 -15.091 4.140 -1.301 1.00 0.00 H new ATOM 0 HA VAL A 5 -16.171 1.883 -2.864 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.568 2.617 -1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -12.544 0.730 -2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -13.823 0.154 -1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -14.141 0.291 -3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.731 2.981 -3.724 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -14.329 2.541 -4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -14.142 4.011 -3.387 1.00 0.00 H new ATOM 76 N VAL A 6 -17.103 0.599 -0.933 1.00 0.00 N ATOM 77 CA VAL A 6 -17.498 -0.375 0.125 1.00 0.00 C ATOM 78 C VAL A 6 -17.509 -1.793 -0.448 1.00 0.00 C ATOM 79 O VAL A 6 -18.305 -2.120 -1.306 1.00 0.00 O ATOM 80 CB VAL A 6 -18.906 0.042 0.549 1.00 0.00 C ATOM 81 CG1 VAL A 6 -19.261 -0.633 1.875 1.00 0.00 C ATOM 82 CG2 VAL A 6 -18.959 1.562 0.722 1.00 0.00 C ATOM 0 H VAL A 6 -17.793 0.744 -1.670 1.00 0.00 H new ATOM 0 HA VAL A 6 -16.806 -0.374 0.967 1.00 0.00 H new ATOM 0 HB VAL A 6 -19.620 -0.262 -0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -20.265 -0.336 2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -19.224 -1.716 1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -18.547 -0.329 2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -19.963 1.859 1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -18.245 1.866 1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -18.707 2.045 -0.222 1.00 0.00 H new ATOM 92 N ALA A 7 -16.632 -2.639 0.017 1.00 0.00 N ATOM 93 CA ALA A 7 -16.598 -4.033 -0.509 1.00 0.00 C ATOM 94 C ALA A 7 -17.950 -4.712 -0.286 1.00 0.00 C ATOM 95 O ALA A 7 -18.554 -4.583 0.760 1.00 0.00 O ATOM 96 CB ALA A 7 -15.508 -4.742 0.294 1.00 0.00 C ATOM 0 H ALA A 7 -15.940 -2.427 0.736 1.00 0.00 H new ATOM 0 HA ALA A 7 -16.396 -4.062 -1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -15.425 -5.777 -0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -14.555 -4.235 0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -15.765 -4.721 1.353 1.00 0.00 H new ATOM 102 N ASN A 8 -18.427 -5.437 -1.258 1.00 0.00 N ATOM 103 CA ASN A 8 -19.738 -6.125 -1.095 1.00 0.00 C ATOM 104 C ASN A 8 -19.546 -7.447 -0.348 1.00 0.00 C ATOM 105 O ASN A 8 -20.252 -7.747 0.594 1.00 0.00 O ATOM 106 CB ASN A 8 -20.232 -6.378 -2.520 1.00 0.00 C ATOM 107 CG ASN A 8 -21.657 -6.934 -2.476 1.00 0.00 C ATOM 108 OD1 ASN A 8 -22.537 -6.335 -1.890 1.00 0.00 O ATOM 109 ND2 ASN A 8 -21.923 -8.062 -3.074 1.00 0.00 N ATOM 0 H ASN A 8 -17.967 -5.583 -2.157 1.00 0.00 H new ATOM 0 HA ASN A 8 -20.449 -5.534 -0.518 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -20.210 -5.451 -3.094 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -19.571 -7.082 -3.026 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -22.870 -8.441 -3.050 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -21.184 -8.565 -3.566 1.00 0.00 H new ATOM 116 N GLN A 9 -18.594 -8.239 -0.762 1.00 0.00 N ATOM 117 CA GLN A 9 -18.356 -9.540 -0.072 1.00 0.00 C ATOM 118 C GLN A 9 -17.306 -9.372 1.030 1.00 0.00 C ATOM 119 O GLN A 9 -16.800 -8.292 1.262 1.00 0.00 O ATOM 120 CB GLN A 9 -17.858 -10.488 -1.171 1.00 0.00 C ATOM 121 CG GLN A 9 -16.364 -10.263 -1.426 1.00 0.00 C ATOM 122 CD GLN A 9 -15.844 -11.337 -2.384 1.00 0.00 C ATOM 123 OE1 GLN A 9 -16.099 -11.285 -3.570 1.00 0.00 O ATOM 124 NE2 GLN A 9 -15.119 -12.317 -1.916 1.00 0.00 N ATOM 0 H GLN A 9 -17.972 -8.042 -1.546 1.00 0.00 H new ATOM 0 HA GLN A 9 -19.254 -9.924 0.413 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -18.032 -11.523 -0.876 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -18.421 -10.320 -2.089 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -16.202 -9.272 -1.850 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -15.814 -10.301 -0.486 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -14.904 -12.362 -0.920 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -14.768 -13.038 -2.547 1.00 0.00 H new ATOM 133 N LEU A 10 -16.970 -10.436 1.707 1.00 0.00 N ATOM 134 CA LEU A 10 -15.946 -10.340 2.787 1.00 0.00 C ATOM 135 C LEU A 10 -14.551 -10.586 2.205 1.00 0.00 C ATOM 136 O LEU A 10 -14.369 -11.421 1.341 1.00 0.00 O ATOM 137 CB LEU A 10 -16.317 -11.436 3.784 1.00 0.00 C ATOM 138 CG LEU A 10 -15.146 -11.680 4.737 1.00 0.00 C ATOM 139 CD1 LEU A 10 -15.670 -11.815 6.167 1.00 0.00 C ATOM 140 CD2 LEU A 10 -14.422 -12.967 4.336 1.00 0.00 C ATOM 0 H LEU A 10 -17.360 -11.367 1.559 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.927 -9.357 3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -17.203 -11.144 4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -16.565 -12.355 3.254 1.00 0.00 H new ATOM 0 HG LEU A 10 -14.453 -10.840 4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -14.835 -11.989 6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -16.186 -10.898 6.454 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -16.364 -12.654 6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -13.587 -13.141 5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -15.115 -13.806 4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -14.047 -12.871 3.317 1.00 0.00 H new ATOM 152 N ILE A 11 -13.566 -9.863 2.662 1.00 0.00 N ATOM 153 CA ILE A 11 -12.190 -10.060 2.121 1.00 0.00 C ATOM 154 C ILE A 11 -11.230 -10.484 3.237 1.00 0.00 C ATOM 155 O ILE A 11 -11.220 -9.904 4.303 1.00 0.00 O ATOM 156 CB ILE A 11 -11.785 -8.697 1.562 1.00 0.00 C ATOM 157 CG1 ILE A 11 -12.944 -8.115 0.749 1.00 0.00 C ATOM 158 CG2 ILE A 11 -10.561 -8.858 0.660 1.00 0.00 C ATOM 159 CD1 ILE A 11 -13.257 -9.038 -0.430 1.00 0.00 C ATOM 0 H ILE A 11 -13.653 -9.147 3.383 1.00 0.00 H new ATOM 0 HA ILE A 11 -12.158 -10.842 1.362 1.00 0.00 H new ATOM 0 HB ILE A 11 -11.543 -8.024 2.385 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -13.825 -8.004 1.381 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -12.684 -7.120 0.386 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.272 -7.885 0.261 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.735 -9.273 1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.802 -9.531 -0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -14.082 -8.623 -1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.377 -9.127 -1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -13.535 -10.023 -0.057 1.00 0.00 H new ATOM 171 N PRO A 12 -10.443 -11.486 2.943 1.00 0.00 N ATOM 172 CA PRO A 12 -9.456 -11.995 3.927 1.00 0.00 C ATOM 173 C PRO A 12 -8.291 -11.013 4.059 1.00 0.00 C ATOM 174 O PRO A 12 -8.402 -9.852 3.717 1.00 0.00 O ATOM 175 CB PRO A 12 -8.990 -13.314 3.317 1.00 0.00 C ATOM 176 CG PRO A 12 -9.232 -13.170 1.848 1.00 0.00 C ATOM 177 CD PRO A 12 -10.400 -12.231 1.680 1.00 0.00 C ATOM 0 HA PRO A 12 -9.868 -12.119 4.928 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.936 -13.495 3.527 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -9.546 -14.157 3.728 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.347 -12.776 1.349 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.448 -14.138 1.397 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.257 -11.565 0.829 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.328 -12.776 1.506 1.00 0.00 H new ATOM 185 N ILE A 13 -7.172 -11.468 4.550 1.00 0.00 N ATOM 186 CA ILE A 13 -6.002 -10.557 4.699 1.00 0.00 C ATOM 187 C ILE A 13 -5.192 -10.522 3.399 1.00 0.00 C ATOM 188 O ILE A 13 -5.180 -11.469 2.637 1.00 0.00 O ATOM 189 CB ILE A 13 -5.166 -11.153 5.832 1.00 0.00 C ATOM 190 CG1 ILE A 13 -6.083 -11.556 6.990 1.00 0.00 C ATOM 191 CG2 ILE A 13 -4.161 -10.109 6.323 1.00 0.00 C ATOM 192 CD1 ILE A 13 -6.829 -10.325 7.501 1.00 0.00 C ATOM 0 H ILE A 13 -7.017 -12.429 4.854 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.306 -9.533 4.916 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.635 -12.032 5.467 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.793 -12.313 6.659 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.497 -11.999 7.795 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.563 -10.531 7.131 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.507 -9.819 5.501 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.696 -9.232 6.687 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.482 -10.611 8.325 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.111 -9.582 7.848 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.428 -9.901 6.694 1.00 0.00 H new ATOM 204 N ASN A 14 -4.512 -9.438 3.142 1.00 0.00 N ATOM 205 CA ASN A 14 -3.702 -9.343 1.894 1.00 0.00 C ATOM 206 C ASN A 14 -4.497 -9.878 0.700 1.00 0.00 C ATOM 207 O ASN A 14 -4.249 -10.964 0.213 1.00 0.00 O ATOM 208 CB ASN A 14 -2.473 -10.213 2.155 1.00 0.00 C ATOM 209 CG ASN A 14 -1.325 -9.337 2.661 1.00 0.00 C ATOM 210 OD1 ASN A 14 -1.087 -9.269 3.942 1.00 0.00 O flip ATOM 211 ND2 ASN A 14 -0.637 -8.707 1.881 1.00 0.00 N flip ATOM 0 H ASN A 14 -4.482 -8.614 3.742 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.431 -8.314 1.655 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.709 -10.982 2.890 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.177 -10.726 1.240 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.823 -8.760 0.879 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.126 -8.126 2.228 1.00 0.00 H new ATOM 218 N THR A 15 -5.451 -9.125 0.224 1.00 0.00 N ATOM 219 CA THR A 15 -6.260 -9.591 -0.939 1.00 0.00 C ATOM 220 C THR A 15 -6.505 -8.432 -1.910 1.00 0.00 C ATOM 221 O THR A 15 -7.028 -7.400 -1.539 1.00 0.00 O ATOM 222 CB THR A 15 -7.580 -10.073 -0.335 1.00 0.00 C ATOM 223 OG1 THR A 15 -7.313 -11.042 0.669 1.00 0.00 O ATOM 224 CG2 THR A 15 -8.447 -10.695 -1.430 1.00 0.00 C ATOM 0 H THR A 15 -5.705 -8.207 0.590 1.00 0.00 H new ATOM 0 HA THR A 15 -5.759 -10.378 -1.503 1.00 0.00 H new ATOM 0 HB THR A 15 -8.108 -9.228 0.107 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.839 -11.803 0.272 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.387 -11.038 -0.999 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.651 -9.950 -2.199 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.921 -11.541 -1.874 1.00 0.00 H new ATOM 232 N ALA A 16 -6.134 -8.594 -3.151 1.00 0.00 N ATOM 233 CA ALA A 16 -6.348 -7.499 -4.140 1.00 0.00 C ATOM 234 C ALA A 16 -7.836 -7.376 -4.477 1.00 0.00 C ATOM 235 O ALA A 16 -8.358 -8.100 -5.301 1.00 0.00 O ATOM 236 CB ALA A 16 -5.549 -7.917 -5.375 1.00 0.00 C ATOM 0 H ALA A 16 -5.693 -9.435 -3.522 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.028 -6.529 -3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.656 -7.159 -6.151 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.497 -8.019 -5.110 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.924 -8.871 -5.745 1.00 0.00 H new ATOM 242 N LEU A 17 -8.524 -6.465 -3.843 1.00 0.00 N ATOM 243 CA LEU A 17 -9.979 -6.299 -4.127 1.00 0.00 C ATOM 244 C LEU A 17 -10.210 -6.116 -5.629 1.00 0.00 C ATOM 245 O LEU A 17 -9.368 -5.606 -6.341 1.00 0.00 O ATOM 246 CB LEU A 17 -10.390 -5.038 -3.366 1.00 0.00 C ATOM 247 CG LEU A 17 -10.228 -5.274 -1.863 1.00 0.00 C ATOM 248 CD1 LEU A 17 -10.157 -3.928 -1.139 1.00 0.00 C ATOM 249 CD2 LEU A 17 -11.427 -6.069 -1.341 1.00 0.00 C ATOM 0 H LEU A 17 -8.143 -5.830 -3.142 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.560 -7.169 -3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.776 -4.194 -3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.425 -4.783 -3.595 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.311 -5.834 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.042 -4.096 -0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.305 -3.359 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.074 -3.368 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.313 -6.238 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.343 -5.508 -1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.480 -7.028 -1.856 1.00 0.00 H new ATOM 261 N THR A 18 -11.350 -6.527 -6.115 1.00 0.00 N ATOM 262 CA THR A 18 -11.640 -6.377 -7.571 1.00 0.00 C ATOM 263 C THR A 18 -12.886 -5.509 -7.772 1.00 0.00 C ATOM 264 O THR A 18 -13.547 -5.126 -6.828 1.00 0.00 O ATOM 265 CB THR A 18 -11.891 -7.799 -8.076 1.00 0.00 C ATOM 266 OG1 THR A 18 -12.940 -8.390 -7.321 1.00 0.00 O ATOM 267 CG2 THR A 18 -10.618 -8.631 -7.923 1.00 0.00 C ATOM 0 H THR A 18 -12.093 -6.960 -5.567 1.00 0.00 H new ATOM 0 HA THR A 18 -10.823 -5.894 -8.107 1.00 0.00 H new ATOM 0 HB THR A 18 -12.174 -7.765 -9.128 1.00 0.00 H new ATOM 0 HG1 THR A 18 -13.244 -9.207 -7.768 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.800 -9.644 -8.283 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.815 -8.178 -8.504 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.330 -8.666 -6.872 1.00 0.00 H new ATOM 275 N LEU A 19 -13.212 -5.196 -8.996 1.00 0.00 N ATOM 276 CA LEU A 19 -14.414 -4.353 -9.256 1.00 0.00 C ATOM 277 C LEU A 19 -15.666 -5.025 -8.684 1.00 0.00 C ATOM 278 O LEU A 19 -16.525 -4.378 -8.118 1.00 0.00 O ATOM 279 CB LEU A 19 -14.508 -4.253 -10.779 1.00 0.00 C ATOM 280 CG LEU A 19 -14.387 -2.789 -11.205 1.00 0.00 C ATOM 281 CD1 LEU A 19 -13.742 -2.710 -12.591 1.00 0.00 C ATOM 282 CD2 LEU A 19 -15.779 -2.155 -11.256 1.00 0.00 C ATOM 0 H LEU A 19 -12.698 -5.487 -9.828 1.00 0.00 H new ATOM 0 HA LEU A 19 -14.338 -3.372 -8.788 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.717 -4.844 -11.242 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -15.457 -4.665 -11.123 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.768 -2.253 -10.485 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.656 -1.666 -12.893 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.750 -3.161 -12.557 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -14.360 -3.247 -13.311 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -15.693 -1.112 -11.560 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -16.397 -2.692 -11.975 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.240 -2.209 -10.270 1.00 0.00 H new ATOM 294 N ILE A 20 -15.777 -6.318 -8.826 1.00 0.00 N ATOM 295 CA ILE A 20 -16.975 -7.028 -8.289 1.00 0.00 C ATOM 296 C ILE A 20 -16.994 -6.951 -6.760 1.00 0.00 C ATOM 297 O ILE A 20 -18.004 -6.651 -6.156 1.00 0.00 O ATOM 298 CB ILE A 20 -16.820 -8.476 -8.751 1.00 0.00 C ATOM 299 CG1 ILE A 20 -16.949 -8.541 -10.276 1.00 0.00 C ATOM 300 CG2 ILE A 20 -17.913 -9.335 -8.111 1.00 0.00 C ATOM 301 CD1 ILE A 20 -15.617 -8.988 -10.883 1.00 0.00 C ATOM 0 H ILE A 20 -15.091 -6.914 -9.290 1.00 0.00 H new ATOM 0 HA ILE A 20 -17.908 -6.587 -8.641 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.841 -8.850 -8.452 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -17.740 -9.237 -10.555 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -17.231 -7.564 -10.670 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -17.803 -10.368 -8.440 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.824 -9.288 -7.026 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.892 -8.961 -8.411 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -15.709 -9.034 -11.968 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -14.837 -8.275 -10.615 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -15.355 -9.974 -10.499 1.00 0.00 H new ATOM 313 N MET A 21 -15.883 -7.222 -6.130 1.00 0.00 N ATOM 314 CA MET A 21 -15.838 -7.166 -4.641 1.00 0.00 C ATOM 315 C MET A 21 -15.733 -5.714 -4.168 1.00 0.00 C ATOM 316 O MET A 21 -15.739 -5.435 -2.986 1.00 0.00 O ATOM 317 CB MET A 21 -14.580 -7.945 -4.255 1.00 0.00 C ATOM 318 CG MET A 21 -14.608 -9.321 -4.921 1.00 0.00 C ATOM 319 SD MET A 21 -13.479 -10.433 -4.047 1.00 0.00 S ATOM 320 CE MET A 21 -12.119 -9.257 -3.842 1.00 0.00 C ATOM 0 H MET A 21 -15.005 -7.479 -6.582 1.00 0.00 H new ATOM 0 HA MET A 21 -16.735 -7.585 -4.185 1.00 0.00 H new ATOM 0 HB2 MET A 21 -13.690 -7.397 -4.565 1.00 0.00 H new ATOM 0 HB3 MET A 21 -14.525 -8.054 -3.172 1.00 0.00 H new ATOM 0 HG2 MET A 21 -15.620 -9.725 -4.904 1.00 0.00 H new ATOM 0 HG3 MET A 21 -14.316 -9.237 -5.968 1.00 0.00 H new ATOM 0 HE1 MET A 21 -11.241 -9.779 -3.462 1.00 0.00 H new ATOM 0 HE2 MET A 21 -11.883 -8.803 -4.804 1.00 0.00 H new ATOM 0 HE3 MET A 21 -12.413 -8.480 -3.136 1.00 0.00 H new ATOM 330 N MET A 22 -15.639 -4.787 -5.083 1.00 0.00 N ATOM 331 CA MET A 22 -15.534 -3.354 -4.684 1.00 0.00 C ATOM 332 C MET A 22 -16.781 -2.588 -5.136 1.00 0.00 C ATOM 333 O MET A 22 -17.005 -2.389 -6.314 1.00 0.00 O ATOM 334 CB MET A 22 -14.292 -2.831 -5.405 1.00 0.00 C ATOM 335 CG MET A 22 -13.871 -1.494 -4.792 1.00 0.00 C ATOM 336 SD MET A 22 -12.370 -0.900 -5.610 1.00 0.00 S ATOM 337 CE MET A 22 -11.221 -1.250 -4.257 1.00 0.00 C ATOM 0 H MET A 22 -15.630 -4.960 -6.088 1.00 0.00 H new ATOM 0 HA MET A 22 -15.459 -3.230 -3.604 1.00 0.00 H new ATOM 0 HB2 MET A 22 -13.480 -3.553 -5.322 1.00 0.00 H new ATOM 0 HB3 MET A 22 -14.501 -2.706 -6.468 1.00 0.00 H new ATOM 0 HG2 MET A 22 -14.672 -0.763 -4.903 1.00 0.00 H new ATOM 0 HG3 MET A 22 -13.693 -1.612 -3.723 1.00 0.00 H new ATOM 0 HE1 MET A 22 -10.892 -0.313 -3.808 1.00 0.00 H new ATOM 0 HE2 MET A 22 -11.721 -1.858 -3.503 1.00 0.00 H new ATOM 0 HE3 MET A 22 -10.357 -1.790 -4.644 1.00 0.00 H new ATOM 347 N LYS A 23 -17.594 -2.157 -4.210 1.00 0.00 N ATOM 348 CA LYS A 23 -18.823 -1.405 -4.590 1.00 0.00 C ATOM 349 C LYS A 23 -18.703 0.060 -4.160 1.00 0.00 C ATOM 350 O LYS A 23 -18.452 0.360 -3.009 1.00 0.00 O ATOM 351 CB LYS A 23 -19.960 -2.094 -3.834 1.00 0.00 C ATOM 352 CG LYS A 23 -20.892 -2.786 -4.832 1.00 0.00 C ATOM 353 CD LYS A 23 -22.346 -2.560 -4.414 1.00 0.00 C ATOM 354 CE LYS A 23 -23.205 -3.734 -4.890 1.00 0.00 C ATOM 355 NZ LYS A 23 -24.435 -3.109 -5.450 1.00 0.00 N ATOM 0 H LYS A 23 -17.460 -2.293 -3.208 1.00 0.00 H new ATOM 0 HA LYS A 23 -18.990 -1.406 -5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.555 -2.823 -3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -20.516 -1.363 -3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -20.725 -2.392 -5.835 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -20.675 -3.854 -4.869 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -22.413 -2.463 -3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -22.717 -1.628 -4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -22.684 -4.324 -5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -23.444 -4.407 -4.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -25.075 -3.852 -5.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -24.914 -2.559 -4.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -24.177 -2.479 -6.236 1.00 0.00 H new ATOM 369 N ALA A 24 -18.880 0.974 -5.075 1.00 0.00 N ATOM 370 CA ALA A 24 -18.775 2.418 -4.716 1.00 0.00 C ATOM 371 C ALA A 24 -20.159 2.980 -4.380 1.00 0.00 C ATOM 372 O ALA A 24 -20.756 3.694 -5.163 1.00 0.00 O ATOM 373 CB ALA A 24 -18.209 3.097 -5.962 1.00 0.00 C ATOM 0 H ALA A 24 -19.092 0.784 -6.054 1.00 0.00 H new ATOM 0 HA ALA A 24 -18.144 2.581 -3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -18.102 4.166 -5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -17.234 2.670 -6.198 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -18.887 2.940 -6.801 1.00 0.00 H new ATOM 379 N GLU A 25 -20.676 2.662 -3.225 1.00 0.00 N ATOM 380 CA GLU A 25 -22.022 3.179 -2.843 1.00 0.00 C ATOM 381 C GLU A 25 -21.886 4.335 -1.848 1.00 0.00 C ATOM 382 O GLU A 25 -20.852 4.522 -1.237 1.00 0.00 O ATOM 383 CB GLU A 25 -22.733 1.992 -2.193 1.00 0.00 C ATOM 384 CG GLU A 25 -24.083 1.769 -2.875 1.00 0.00 C ATOM 385 CD GLU A 25 -24.801 0.589 -2.218 1.00 0.00 C ATOM 386 OE1 GLU A 25 -25.074 0.674 -1.032 1.00 0.00 O ATOM 387 OE2 GLU A 25 -25.066 -0.379 -2.912 1.00 0.00 O ATOM 0 H GLU A 25 -20.226 2.067 -2.529 1.00 0.00 H new ATOM 0 HA GLU A 25 -22.573 3.565 -3.701 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -22.118 1.096 -2.278 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -22.878 2.180 -1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -24.694 2.668 -2.797 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -23.937 1.573 -3.937 1.00 0.00 H new ATOM 394 N VAL A 26 -22.920 5.111 -1.682 1.00 0.00 N ATOM 395 CA VAL A 26 -22.851 6.255 -0.728 1.00 0.00 C ATOM 396 C VAL A 26 -23.253 5.802 0.678 1.00 0.00 C ATOM 397 O VAL A 26 -24.141 6.361 1.290 1.00 0.00 O ATOM 398 CB VAL A 26 -23.850 7.280 -1.266 1.00 0.00 C ATOM 399 CG1 VAL A 26 -23.636 8.620 -0.560 1.00 0.00 C ATOM 400 CG2 VAL A 26 -23.635 7.458 -2.771 1.00 0.00 C ATOM 0 H VAL A 26 -23.811 5.003 -2.166 1.00 0.00 H new ATOM 0 HA VAL A 26 -21.844 6.666 -0.651 1.00 0.00 H new ATOM 0 HB VAL A 26 -24.866 6.930 -1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -24.348 9.351 -0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -23.787 8.494 0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -22.621 8.971 -0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -24.346 8.188 -3.156 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -22.619 7.809 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -23.786 6.504 -3.275 1.00 0.00 H new ATOM 410 N VAL A 27 -22.606 4.794 1.194 1.00 0.00 N ATOM 411 CA VAL A 27 -22.951 4.308 2.561 1.00 0.00 C ATOM 412 C VAL A 27 -21.880 4.749 3.562 1.00 0.00 C ATOM 413 O VAL A 27 -20.824 5.220 3.190 1.00 0.00 O ATOM 414 CB VAL A 27 -22.983 2.783 2.444 1.00 0.00 C ATOM 415 CG1 VAL A 27 -24.099 2.368 1.483 1.00 0.00 C ATOM 416 CG2 VAL A 27 -21.638 2.286 1.910 1.00 0.00 C ATOM 0 H VAL A 27 -21.854 4.286 0.729 1.00 0.00 H new ATOM 0 HA VAL A 27 -23.901 4.708 2.915 1.00 0.00 H new ATOM 0 HB VAL A 27 -23.169 2.346 3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -24.122 1.281 1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -25.057 2.723 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -23.914 2.803 0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -21.659 1.199 1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -21.453 2.722 0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -20.843 2.582 2.595 1.00 0.00 H new ATOM 426 N THR A 28 -22.144 4.603 4.831 1.00 0.00 N ATOM 427 CA THR A 28 -21.142 5.017 5.854 1.00 0.00 C ATOM 428 C THR A 28 -20.420 3.785 6.417 1.00 0.00 C ATOM 429 O THR A 28 -20.835 2.668 6.184 1.00 0.00 O ATOM 430 CB THR A 28 -21.958 5.708 6.948 1.00 0.00 C ATOM 431 OG1 THR A 28 -23.274 5.174 6.961 1.00 0.00 O ATOM 432 CG2 THR A 28 -22.017 7.211 6.673 1.00 0.00 C ATOM 0 H THR A 28 -23.010 4.215 5.204 1.00 0.00 H new ATOM 0 HA THR A 28 -20.375 5.673 5.441 1.00 0.00 H new ATOM 0 HB THR A 28 -21.486 5.538 7.916 1.00 0.00 H new ATOM 0 HG1 THR A 28 -23.799 5.614 7.662 1.00 0.00 H new ATOM 0 HG21 THR A 28 -22.599 7.701 7.454 1.00 0.00 H new ATOM 0 HG22 THR A 28 -21.006 7.619 6.663 1.00 0.00 H new ATOM 0 HG23 THR A 28 -22.488 7.386 5.706 1.00 0.00 H new ATOM 440 N PRO A 29 -19.355 4.027 7.145 1.00 0.00 N ATOM 441 CA PRO A 29 -18.886 5.415 7.402 1.00 0.00 C ATOM 442 C PRO A 29 -18.226 5.997 6.149 1.00 0.00 C ATOM 443 O PRO A 29 -17.723 5.279 5.308 1.00 0.00 O ATOM 444 CB PRO A 29 -17.862 5.245 8.522 1.00 0.00 C ATOM 445 CG PRO A 29 -17.377 3.837 8.393 1.00 0.00 C ATOM 446 CD PRO A 29 -18.500 3.028 7.796 1.00 0.00 C ATOM 0 HA PRO A 29 -19.694 6.097 7.667 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -17.042 5.956 8.418 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -18.313 5.419 9.499 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -16.492 3.792 7.758 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -17.092 3.438 9.367 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -18.127 2.296 7.080 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -19.044 2.476 8.562 1.00 0.00 H new ATOM 454 N MET A 30 -18.224 7.296 6.019 1.00 0.00 N ATOM 455 CA MET A 30 -17.596 7.925 4.821 1.00 0.00 C ATOM 456 C MET A 30 -16.078 7.728 4.855 1.00 0.00 C ATOM 457 O MET A 30 -15.342 8.574 5.321 1.00 0.00 O ATOM 458 CB MET A 30 -17.945 9.410 4.924 1.00 0.00 C ATOM 459 CG MET A 30 -17.548 9.934 6.305 1.00 0.00 C ATOM 460 SD MET A 30 -16.688 11.517 6.126 1.00 0.00 S ATOM 461 CE MET A 30 -16.722 11.994 7.872 1.00 0.00 C ATOM 0 H MET A 30 -18.630 7.949 6.690 1.00 0.00 H new ATOM 0 HA MET A 30 -17.953 7.486 3.890 1.00 0.00 H new ATOM 0 HB2 MET A 30 -17.425 9.971 4.147 1.00 0.00 H new ATOM 0 HB3 MET A 30 -19.013 9.555 4.762 1.00 0.00 H new ATOM 0 HG2 MET A 30 -18.434 10.058 6.927 1.00 0.00 H new ATOM 0 HG3 MET A 30 -16.904 9.213 6.808 1.00 0.00 H new ATOM 0 HE1 MET A 30 -16.234 12.961 7.995 1.00 0.00 H new ATOM 0 HE2 MET A 30 -17.756 12.063 8.210 1.00 0.00 H new ATOM 0 HE3 MET A 30 -16.196 11.245 8.464 1.00 0.00 H new ATOM 471 N GLY A 31 -15.604 6.615 4.364 1.00 0.00 N ATOM 472 CA GLY A 31 -14.136 6.365 4.369 1.00 0.00 C ATOM 473 C GLY A 31 -13.516 6.934 3.092 1.00 0.00 C ATOM 474 O GLY A 31 -13.734 8.076 2.740 1.00 0.00 O ATOM 0 H GLY A 31 -16.170 5.869 3.960 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.681 6.828 5.244 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.939 5.295 4.436 1.00 0.00 H new ATOM 478 N ILE A 32 -12.744 6.146 2.393 1.00 0.00 N ATOM 479 CA ILE A 32 -12.114 6.645 1.139 1.00 0.00 C ATOM 480 C ILE A 32 -13.086 6.496 -0.034 1.00 0.00 C ATOM 481 O ILE A 32 -13.728 5.474 -0.183 1.00 0.00 O ATOM 482 CB ILE A 32 -10.883 5.762 0.934 1.00 0.00 C ATOM 483 CG1 ILE A 32 -10.119 5.642 2.256 1.00 0.00 C ATOM 484 CG2 ILE A 32 -9.974 6.388 -0.124 1.00 0.00 C ATOM 485 CD1 ILE A 32 -8.749 5.012 2.000 1.00 0.00 C ATOM 0 H ILE A 32 -12.523 5.180 2.636 1.00 0.00 H new ATOM 0 HA ILE A 32 -11.850 7.701 1.200 1.00 0.00 H new ATOM 0 HB ILE A 32 -11.197 4.772 0.602 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.999 6.626 2.709 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -10.685 5.033 2.961 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -9.097 5.758 -0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.517 6.476 -1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.659 7.378 0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.206 4.927 2.941 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -8.880 4.021 1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.184 5.639 1.310 1.00 0.00 H new ATOM 497 N PRO A 33 -13.162 7.528 -0.831 1.00 0.00 N ATOM 498 CA PRO A 33 -14.067 7.520 -2.006 1.00 0.00 C ATOM 499 C PRO A 33 -13.510 6.609 -3.103 1.00 0.00 C ATOM 500 O PRO A 33 -12.548 5.894 -2.900 1.00 0.00 O ATOM 501 CB PRO A 33 -14.074 8.977 -2.461 1.00 0.00 C ATOM 502 CG PRO A 33 -12.783 9.545 -1.963 1.00 0.00 C ATOM 503 CD PRO A 33 -12.420 8.788 -0.711 1.00 0.00 C ATOM 0 HA PRO A 33 -15.064 7.145 -1.777 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.145 9.051 -3.546 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -14.927 9.515 -2.048 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -12.001 9.442 -2.716 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.886 10.610 -1.753 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.346 8.614 -0.647 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.708 9.337 0.185 1.00 0.00 H new ATOM 511 N ALA A 34 -14.107 6.627 -4.263 1.00 0.00 N ATOM 512 CA ALA A 34 -13.610 5.761 -5.370 1.00 0.00 C ATOM 513 C ALA A 34 -12.831 6.600 -6.389 1.00 0.00 C ATOM 514 O ALA A 34 -12.930 6.392 -7.582 1.00 0.00 O ATOM 515 CB ALA A 34 -14.867 5.174 -6.011 1.00 0.00 C ATOM 0 H ALA A 34 -14.917 7.203 -4.492 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.934 4.984 -5.013 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.584 4.523 -6.838 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -15.419 4.598 -5.268 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -15.496 5.982 -6.385 1.00 0.00 H new ATOM 521 N GLU A 35 -12.062 7.547 -5.928 1.00 0.00 N ATOM 522 CA GLU A 35 -11.280 8.400 -6.869 1.00 0.00 C ATOM 523 C GLU A 35 -10.209 7.571 -7.583 1.00 0.00 C ATOM 524 O GLU A 35 -10.118 7.568 -8.794 1.00 0.00 O ATOM 525 CB GLU A 35 -10.631 9.466 -5.986 1.00 0.00 C ATOM 526 CG GLU A 35 -10.218 10.661 -6.849 1.00 0.00 C ATOM 527 CD GLU A 35 -10.896 11.927 -6.323 1.00 0.00 C ATOM 528 OE1 GLU A 35 -10.459 12.427 -5.298 1.00 0.00 O ATOM 529 OE2 GLU A 35 -11.839 12.377 -6.953 1.00 0.00 O ATOM 0 H GLU A 35 -11.941 7.768 -4.940 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.908 8.836 -7.646 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.328 9.786 -5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.760 9.052 -5.478 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.135 10.781 -6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.501 10.489 -7.887 1.00 0.00 H new ATOM 536 N GLU A 36 -9.395 6.870 -6.842 1.00 0.00 N ATOM 537 CA GLU A 36 -8.327 6.044 -7.477 1.00 0.00 C ATOM 538 C GLU A 36 -8.813 4.605 -7.666 1.00 0.00 C ATOM 539 O GLU A 36 -8.040 3.669 -7.632 1.00 0.00 O ATOM 540 CB GLU A 36 -7.154 6.091 -6.498 1.00 0.00 C ATOM 541 CG GLU A 36 -6.327 7.355 -6.746 1.00 0.00 C ATOM 542 CD GLU A 36 -4.845 6.987 -6.833 1.00 0.00 C ATOM 543 OE1 GLU A 36 -4.325 6.474 -5.857 1.00 0.00 O ATOM 544 OE2 GLU A 36 -4.256 7.226 -7.874 1.00 0.00 O ATOM 0 H GLU A 36 -9.423 6.833 -5.823 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.049 6.416 -8.463 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.523 6.081 -5.472 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.530 5.206 -6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.648 7.837 -7.670 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.488 8.071 -5.940 1.00 0.00 H new ATOM 551 N ILE A 37 -10.089 4.424 -7.863 1.00 0.00 N ATOM 552 CA ILE A 37 -10.630 3.048 -8.052 1.00 0.00 C ATOM 553 C ILE A 37 -9.720 2.248 -8.996 1.00 0.00 C ATOM 554 O ILE A 37 -9.192 1.222 -8.619 1.00 0.00 O ATOM 555 CB ILE A 37 -12.023 3.264 -8.657 1.00 0.00 C ATOM 556 CG1 ILE A 37 -13.040 3.425 -7.527 1.00 0.00 C ATOM 557 CG2 ILE A 37 -12.420 2.068 -9.527 1.00 0.00 C ATOM 558 CD1 ILE A 37 -13.132 2.121 -6.733 1.00 0.00 C ATOM 0 H ILE A 37 -10.783 5.171 -7.901 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.680 2.477 -7.125 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.005 4.160 -9.277 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -12.743 4.243 -6.870 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -14.017 3.683 -7.937 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.411 2.238 -9.948 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.698 1.950 -10.335 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.435 1.164 -8.918 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.857 2.236 -5.927 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -13.449 1.314 -7.394 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.156 1.882 -6.311 1.00 0.00 H new ATOM 570 N PRO A 38 -9.571 2.745 -10.193 1.00 0.00 N ATOM 571 CA PRO A 38 -8.719 2.062 -11.201 1.00 0.00 C ATOM 572 C PRO A 38 -7.240 2.163 -10.817 1.00 0.00 C ATOM 573 O PRO A 38 -6.379 1.618 -11.480 1.00 0.00 O ATOM 574 CB PRO A 38 -9.000 2.835 -12.487 1.00 0.00 C ATOM 575 CG PRO A 38 -9.454 4.183 -12.031 1.00 0.00 C ATOM 576 CD PRO A 38 -10.170 3.975 -10.723 1.00 0.00 C ATOM 0 HA PRO A 38 -8.934 0.997 -11.290 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.107 2.908 -13.108 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.765 2.342 -13.086 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.606 4.856 -11.906 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.116 4.639 -12.767 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -10.022 4.817 -10.047 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.245 3.867 -10.867 1.00 0.00 H new ATOM 584 N ASN A 39 -6.936 2.854 -9.753 1.00 0.00 N ATOM 585 CA ASN A 39 -5.512 2.986 -9.333 1.00 0.00 C ATOM 586 C ASN A 39 -5.227 2.076 -8.134 1.00 0.00 C ATOM 587 O ASN A 39 -4.286 1.306 -8.136 1.00 0.00 O ATOM 588 CB ASN A 39 -5.349 4.454 -8.941 1.00 0.00 C ATOM 589 CG ASN A 39 -4.292 5.107 -9.831 1.00 0.00 C ATOM 590 OD1 ASN A 39 -3.169 5.512 -9.302 1.00 0.00 O flip ATOM 591 ND2 ASN A 39 -4.488 5.252 -11.021 1.00 0.00 N flip ATOM 0 H ASN A 39 -7.611 3.333 -9.157 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.820 2.696 -10.124 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.300 4.977 -9.045 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.056 4.531 -7.894 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.365 4.936 -11.436 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.776 5.690 -11.606 1.00 0.00 H new ATOM 598 N LEU A 40 -6.028 2.162 -7.106 1.00 0.00 N ATOM 599 CA LEU A 40 -5.796 1.307 -5.906 1.00 0.00 C ATOM 600 C LEU A 40 -6.568 -0.013 -6.019 1.00 0.00 C ATOM 601 O LEU A 40 -6.584 -0.812 -5.104 1.00 0.00 O ATOM 602 CB LEU A 40 -6.305 2.137 -4.726 1.00 0.00 C ATOM 603 CG LEU A 40 -7.836 2.125 -4.696 1.00 0.00 C ATOM 604 CD1 LEU A 40 -8.312 1.504 -3.382 1.00 0.00 C ATOM 605 CD2 LEU A 40 -8.357 3.561 -4.797 1.00 0.00 C ATOM 0 H LEU A 40 -6.832 2.787 -7.045 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.746 1.037 -5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.912 1.735 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.943 3.162 -4.809 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.213 1.540 -5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.402 1.494 -3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.938 0.483 -3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.936 2.092 -2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.447 3.555 -4.776 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.981 4.144 -3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.015 4.007 -5.731 1.00 0.00 H new ATOM 617 N VAL A 41 -7.205 -0.255 -7.131 1.00 0.00 N ATOM 618 CA VAL A 41 -7.962 -1.531 -7.281 1.00 0.00 C ATOM 619 C VAL A 41 -7.004 -2.719 -7.129 1.00 0.00 C ATOM 620 O VAL A 41 -5.838 -2.635 -7.460 1.00 0.00 O ATOM 621 CB VAL A 41 -8.577 -1.467 -8.695 1.00 0.00 C ATOM 622 CG1 VAL A 41 -8.382 -2.793 -9.445 1.00 0.00 C ATOM 623 CG2 VAL A 41 -10.077 -1.184 -8.574 1.00 0.00 C ATOM 0 H VAL A 41 -7.235 0.369 -7.937 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.736 -1.660 -6.525 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.077 -0.675 -9.253 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.825 -2.718 -10.438 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.317 -3.005 -9.538 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.865 -3.598 -8.892 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.520 -1.137 -9.569 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -10.553 -1.981 -8.002 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.228 -0.232 -8.065 1.00 0.00 H new ATOM 633 N GLY A 42 -7.491 -3.823 -6.639 1.00 0.00 N ATOM 634 CA GLY A 42 -6.615 -5.016 -6.478 1.00 0.00 C ATOM 635 C GLY A 42 -5.584 -4.764 -5.375 1.00 0.00 C ATOM 636 O GLY A 42 -4.647 -5.519 -5.211 1.00 0.00 O ATOM 0 H GLY A 42 -8.459 -3.951 -6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.218 -5.889 -6.231 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.108 -5.235 -7.418 1.00 0.00 H new ATOM 640 N MET A 43 -5.742 -3.716 -4.613 1.00 0.00 N ATOM 641 CA MET A 43 -4.759 -3.446 -3.525 1.00 0.00 C ATOM 642 C MET A 43 -4.912 -4.489 -2.419 1.00 0.00 C ATOM 643 O MET A 43 -5.952 -5.098 -2.266 1.00 0.00 O ATOM 644 CB MET A 43 -5.103 -2.053 -2.997 1.00 0.00 C ATOM 645 CG MET A 43 -6.519 -2.064 -2.420 1.00 0.00 C ATOM 646 SD MET A 43 -6.569 -1.049 -0.923 1.00 0.00 S ATOM 647 CE MET A 43 -5.551 0.317 -1.535 1.00 0.00 C ATOM 0 H MET A 43 -6.502 -3.041 -4.695 1.00 0.00 H new ATOM 0 HA MET A 43 -3.730 -3.496 -3.880 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.388 -1.756 -2.230 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.031 -1.320 -3.800 1.00 0.00 H new ATOM 0 HG2 MET A 43 -7.226 -1.681 -3.156 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.821 -3.086 -2.190 1.00 0.00 H new ATOM 0 HE1 MET A 43 -6.006 1.266 -1.251 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.553 0.250 -1.102 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.480 0.259 -2.621 1.00 0.00 H new ATOM 657 N GLN A 44 -3.885 -4.698 -1.647 1.00 0.00 N ATOM 658 CA GLN A 44 -3.970 -5.705 -0.552 1.00 0.00 C ATOM 659 C GLN A 44 -4.228 -5.011 0.787 1.00 0.00 C ATOM 660 O GLN A 44 -3.572 -4.049 1.136 1.00 0.00 O ATOM 661 CB GLN A 44 -2.607 -6.397 -0.546 1.00 0.00 C ATOM 662 CG GLN A 44 -2.437 -7.204 -1.834 1.00 0.00 C ATOM 663 CD GLN A 44 -1.682 -8.499 -1.529 1.00 0.00 C ATOM 664 OE1 GLN A 44 -0.532 -8.439 -0.913 1.00 0.00 O flip ATOM 665 NE2 GLN A 44 -2.140 -9.575 -1.855 1.00 0.00 N flip ATOM 0 H GLN A 44 -2.990 -4.216 -1.726 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.785 -6.412 -0.703 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.812 -5.656 -0.461 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.525 -7.053 0.320 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.412 -7.432 -2.264 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.891 -6.618 -2.574 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.038 -9.622 -2.336 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.627 -10.432 -1.648 1.00 0.00 H new ATOM 674 N VAL A 45 -5.178 -5.491 1.540 1.00 0.00 N ATOM 675 CA VAL A 45 -5.478 -4.859 2.856 1.00 0.00 C ATOM 676 C VAL A 45 -4.565 -5.437 3.940 1.00 0.00 C ATOM 677 O VAL A 45 -3.935 -6.460 3.756 1.00 0.00 O ATOM 678 CB VAL A 45 -6.937 -5.207 3.141 1.00 0.00 C ATOM 679 CG1 VAL A 45 -7.837 -4.505 2.124 1.00 0.00 C ATOM 680 CG2 VAL A 45 -7.130 -6.721 3.035 1.00 0.00 C ATOM 0 H VAL A 45 -5.760 -6.294 1.301 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.313 -3.782 2.844 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.200 -4.877 4.146 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.879 -4.753 2.327 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.700 -3.426 2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.575 -4.834 1.118 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.171 -6.970 3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.867 -7.052 2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.489 -7.221 3.761 1.00 0.00 H new ATOM 690 N ASN A 46 -4.491 -4.790 5.069 1.00 0.00 N ATOM 691 CA ASN A 46 -3.620 -5.299 6.167 1.00 0.00 C ATOM 692 C ASN A 46 -4.437 -6.157 7.135 1.00 0.00 C ATOM 693 O ASN A 46 -3.896 -6.863 7.964 1.00 0.00 O ATOM 694 CB ASN A 46 -3.103 -4.045 6.872 1.00 0.00 C ATOM 695 CG ASN A 46 -1.576 -4.002 6.781 1.00 0.00 C ATOM 696 OD1 ASN A 46 -1.007 -3.004 6.385 1.00 0.00 O ATOM 697 ND2 ASN A 46 -0.885 -5.052 7.132 1.00 0.00 N ATOM 0 H ASN A 46 -4.996 -3.929 5.280 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.808 -5.924 5.795 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.531 -3.154 6.412 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.416 -4.047 7.916 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.133 -5.035 7.074 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.363 -5.889 7.464 1.00 0.00 H new ATOM 704 N ARG A 47 -5.735 -6.099 7.038 1.00 0.00 N ATOM 705 CA ARG A 47 -6.589 -6.910 7.954 1.00 0.00 C ATOM 706 C ARG A 47 -7.764 -7.519 7.184 1.00 0.00 C ATOM 707 O ARG A 47 -7.950 -7.263 6.011 1.00 0.00 O ATOM 708 CB ARG A 47 -7.092 -5.922 9.006 1.00 0.00 C ATOM 709 CG ARG A 47 -5.925 -5.072 9.509 1.00 0.00 C ATOM 710 CD ARG A 47 -6.294 -4.440 10.853 1.00 0.00 C ATOM 711 NE ARG A 47 -5.200 -4.844 11.780 1.00 0.00 N ATOM 712 CZ ARG A 47 -5.320 -4.635 13.062 1.00 0.00 C ATOM 713 NH1 ARG A 47 -6.344 -5.120 13.710 1.00 0.00 N ATOM 714 NH2 ARG A 47 -4.416 -3.941 13.697 1.00 0.00 N ATOM 0 H ARG A 47 -6.243 -5.526 6.365 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.041 -7.739 8.402 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.864 -5.282 8.579 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.548 -6.460 9.837 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.033 -5.689 9.618 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.688 -4.295 8.783 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.364 -3.355 10.773 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.262 -4.797 11.205 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.357 -5.284 11.412 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.051 -5.663 13.214 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.437 -4.956 14.712 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.616 -3.562 13.191 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.510 -3.777 14.699 1.00 0.00 H new ATOM 728 N ALA A 48 -8.556 -8.326 7.836 1.00 0.00 N ATOM 729 CA ALA A 48 -9.719 -8.952 7.143 1.00 0.00 C ATOM 730 C ALA A 48 -10.847 -7.934 6.972 1.00 0.00 C ATOM 731 O ALA A 48 -11.037 -7.059 7.792 1.00 0.00 O ATOM 732 CB ALA A 48 -10.158 -10.093 8.061 1.00 0.00 C ATOM 0 H ALA A 48 -8.448 -8.579 8.818 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.462 -9.307 6.145 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -11.013 -10.606 7.620 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.336 -10.798 8.184 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -10.439 -9.690 9.034 1.00 0.00 H new ATOM 738 N VAL A 49 -11.601 -8.044 5.912 1.00 0.00 N ATOM 739 CA VAL A 49 -12.720 -7.085 5.691 1.00 0.00 C ATOM 740 C VAL A 49 -14.054 -7.836 5.653 1.00 0.00 C ATOM 741 O VAL A 49 -14.216 -8.771 4.894 1.00 0.00 O ATOM 742 CB VAL A 49 -12.433 -6.437 4.335 1.00 0.00 C ATOM 743 CG1 VAL A 49 -13.278 -5.171 4.186 1.00 0.00 C ATOM 744 CG2 VAL A 49 -10.951 -6.071 4.245 1.00 0.00 C ATOM 0 H VAL A 49 -11.490 -8.756 5.190 1.00 0.00 H new ATOM 0 HA VAL A 49 -12.790 -6.344 6.487 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.683 -7.139 3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.074 -4.709 3.220 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -14.335 -5.430 4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -13.028 -4.471 4.983 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.748 -5.610 3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.700 -5.370 5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -10.347 -6.972 4.351 1.00 0.00 H new ATOM 754 N PRO A 50 -14.968 -7.401 6.478 1.00 0.00 N ATOM 755 CA PRO A 50 -16.304 -8.042 6.537 1.00 0.00 C ATOM 756 C PRO A 50 -17.105 -7.722 5.273 1.00 0.00 C ATOM 757 O PRO A 50 -16.580 -7.205 4.308 1.00 0.00 O ATOM 758 CB PRO A 50 -16.948 -7.415 7.771 1.00 0.00 C ATOM 759 CG PRO A 50 -16.250 -6.105 7.947 1.00 0.00 C ATOM 760 CD PRO A 50 -14.850 -6.282 7.419 1.00 0.00 C ATOM 0 HA PRO A 50 -16.258 -9.129 6.596 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -18.020 -7.275 7.629 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -16.822 -8.050 8.648 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -16.770 -5.314 7.406 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -16.233 -5.814 8.997 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.492 -5.379 6.924 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -14.146 -6.506 8.220 1.00 0.00 H new ATOM 768 N LEU A 51 -18.371 -8.035 5.269 1.00 0.00 N ATOM 769 CA LEU A 51 -19.202 -7.756 4.062 1.00 0.00 C ATOM 770 C LEU A 51 -19.704 -6.309 4.077 1.00 0.00 C ATOM 771 O LEU A 51 -20.062 -5.774 5.109 1.00 0.00 O ATOM 772 CB LEU A 51 -20.377 -8.730 4.161 1.00 0.00 C ATOM 773 CG LEU A 51 -20.085 -9.967 3.310 1.00 0.00 C ATOM 774 CD1 LEU A 51 -20.030 -11.203 4.210 1.00 0.00 C ATOM 775 CD2 LEU A 51 -21.195 -10.142 2.272 1.00 0.00 C ATOM 0 H LEU A 51 -18.866 -8.471 6.047 1.00 0.00 H new ATOM 0 HA LEU A 51 -18.638 -7.882 3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -20.537 -9.019 5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -21.293 -8.248 3.819 1.00 0.00 H new ATOM 0 HG LEU A 51 -19.128 -9.844 2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -19.822 -12.085 3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -19.241 -11.078 4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -20.987 -11.328 4.716 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -20.989 -11.023 1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -22.151 -10.267 2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -21.236 -9.261 1.632 1.00 0.00 H new ATOM 787 N GLY A 52 -19.738 -5.671 2.938 1.00 0.00 N ATOM 788 CA GLY A 52 -20.222 -4.261 2.882 1.00 0.00 C ATOM 789 C GLY A 52 -19.313 -3.369 3.729 1.00 0.00 C ATOM 790 O GLY A 52 -19.749 -2.390 4.301 1.00 0.00 O ATOM 0 H GLY A 52 -19.451 -6.066 2.042 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -20.232 -3.911 1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -21.247 -4.204 3.248 1.00 0.00 H new ATOM 794 N THR A 53 -18.054 -3.698 3.815 1.00 0.00 N ATOM 795 CA THR A 53 -17.120 -2.865 4.628 1.00 0.00 C ATOM 796 C THR A 53 -16.565 -1.711 3.789 1.00 0.00 C ATOM 797 O THR A 53 -16.100 -1.904 2.682 1.00 0.00 O ATOM 798 CB THR A 53 -15.994 -3.815 5.035 1.00 0.00 C ATOM 799 OG1 THR A 53 -16.538 -5.098 5.316 1.00 0.00 O ATOM 800 CG2 THR A 53 -15.292 -3.270 6.280 1.00 0.00 C ATOM 0 H THR A 53 -17.631 -4.506 3.359 1.00 0.00 H new ATOM 0 HA THR A 53 -17.615 -2.420 5.491 1.00 0.00 H new ATOM 0 HB THR A 53 -15.273 -3.897 4.222 1.00 0.00 H new ATOM 0 HG1 THR A 53 -16.503 -5.652 4.508 1.00 0.00 H new ATOM 0 HG21 THR A 53 -14.489 -3.947 6.571 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.876 -2.286 6.062 1.00 0.00 H new ATOM 0 HG23 THR A 53 -16.010 -3.188 7.096 1.00 0.00 H new ATOM 808 N THR A 54 -16.607 -0.515 4.307 1.00 0.00 N ATOM 809 CA THR A 54 -16.077 0.648 3.539 1.00 0.00 C ATOM 810 C THR A 54 -14.546 0.635 3.555 1.00 0.00 C ATOM 811 O THR A 54 -13.930 0.014 4.399 1.00 0.00 O ATOM 812 CB THR A 54 -16.614 1.883 4.266 1.00 0.00 C ATOM 813 OG1 THR A 54 -16.159 3.054 3.603 1.00 0.00 O ATOM 814 CG2 THR A 54 -16.114 1.886 5.711 1.00 0.00 C ATOM 0 H THR A 54 -16.985 -0.292 5.228 1.00 0.00 H new ATOM 0 HA THR A 54 -16.384 0.629 2.493 1.00 0.00 H new ATOM 0 HB THR A 54 -17.704 1.862 4.262 1.00 0.00 H new ATOM 0 HG1 THR A 54 -16.562 3.844 4.020 1.00 0.00 H new ATOM 0 HG21 THR A 54 -16.498 2.766 6.227 1.00 0.00 H new ATOM 0 HG22 THR A 54 -16.463 0.987 6.219 1.00 0.00 H new ATOM 0 HG23 THR A 54 -15.024 1.907 5.719 1.00 0.00 H new ATOM 822 N LEU A 55 -13.927 1.314 2.628 1.00 0.00 N ATOM 823 CA LEU A 55 -12.436 1.336 2.592 1.00 0.00 C ATOM 824 C LEU A 55 -11.893 2.257 3.688 1.00 0.00 C ATOM 825 O LEU A 55 -11.979 3.465 3.597 1.00 0.00 O ATOM 826 CB LEU A 55 -12.081 1.884 1.209 1.00 0.00 C ATOM 827 CG LEU A 55 -10.827 1.179 0.689 1.00 0.00 C ATOM 828 CD1 LEU A 55 -9.643 1.499 1.604 1.00 0.00 C ATOM 829 CD2 LEU A 55 -11.063 -0.333 0.674 1.00 0.00 C ATOM 0 H LEU A 55 -14.388 1.854 1.895 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.005 0.350 2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.911 1.728 0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.910 2.959 1.265 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.609 1.525 -0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.750 0.996 1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.474 2.576 1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.860 1.153 2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.170 -0.837 0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.281 -0.677 1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.906 -0.563 0.023 1.00 0.00 H new ATOM 841 N MET A 56 -11.332 1.695 4.723 1.00 0.00 N ATOM 842 CA MET A 56 -10.780 2.538 5.823 1.00 0.00 C ATOM 843 C MET A 56 -9.256 2.622 5.707 1.00 0.00 C ATOM 844 O MET A 56 -8.596 1.629 5.471 1.00 0.00 O ATOM 845 CB MET A 56 -11.182 1.821 7.113 1.00 0.00 C ATOM 846 CG MET A 56 -11.930 2.795 8.027 1.00 0.00 C ATOM 847 SD MET A 56 -13.565 2.125 8.413 1.00 0.00 S ATOM 848 CE MET A 56 -13.051 1.041 9.767 1.00 0.00 C ATOM 0 H MET A 56 -11.232 0.689 4.855 1.00 0.00 H new ATOM 0 HA MET A 56 -11.159 3.560 5.792 1.00 0.00 H new ATOM 0 HB2 MET A 56 -11.814 0.963 6.883 1.00 0.00 H new ATOM 0 HB3 MET A 56 -10.296 1.438 7.620 1.00 0.00 H new ATOM 0 HG2 MET A 56 -11.365 2.956 8.945 1.00 0.00 H new ATOM 0 HG3 MET A 56 -12.029 3.765 7.540 1.00 0.00 H new ATOM 0 HE1 MET A 56 -13.833 0.307 9.962 1.00 0.00 H new ATOM 0 HE2 MET A 56 -12.130 0.526 9.492 1.00 0.00 H new ATOM 0 HE3 MET A 56 -12.880 1.636 10.664 1.00 0.00 H new ATOM 858 N PRO A 57 -8.747 3.812 5.876 1.00 0.00 N ATOM 859 CA PRO A 57 -7.283 4.036 5.789 1.00 0.00 C ATOM 860 C PRO A 57 -6.582 3.467 7.026 1.00 0.00 C ATOM 861 O PRO A 57 -5.382 3.279 7.040 1.00 0.00 O ATOM 862 CB PRO A 57 -7.156 5.556 5.744 1.00 0.00 C ATOM 863 CG PRO A 57 -8.397 6.069 6.402 1.00 0.00 C ATOM 864 CD PRO A 57 -9.481 5.050 6.162 1.00 0.00 C ATOM 0 HA PRO A 57 -6.825 3.549 4.928 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.263 5.893 6.270 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.076 5.915 4.718 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.235 6.214 7.470 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.680 7.037 5.988 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.125 4.940 7.034 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.121 5.337 5.327 1.00 0.00 H new ATOM 872 N ASP A 58 -7.322 3.193 8.065 1.00 0.00 N ATOM 873 CA ASP A 58 -6.698 2.639 9.300 1.00 0.00 C ATOM 874 C ASP A 58 -6.335 1.166 9.095 1.00 0.00 C ATOM 875 O ASP A 58 -5.318 0.696 9.563 1.00 0.00 O ATOM 876 CB ASP A 58 -7.771 2.784 10.378 1.00 0.00 C ATOM 877 CG ASP A 58 -8.324 4.211 10.357 1.00 0.00 C ATOM 878 OD1 ASP A 58 -7.705 5.074 10.957 1.00 0.00 O ATOM 879 OD2 ASP A 58 -9.357 4.416 9.740 1.00 0.00 O ATOM 0 H ASP A 58 -8.332 3.329 8.112 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.776 3.156 9.568 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.575 2.068 10.205 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.350 2.560 11.358 1.00 0.00 H new ATOM 884 N MET A 59 -7.161 0.431 8.401 1.00 0.00 N ATOM 885 CA MET A 59 -6.862 -1.012 8.171 1.00 0.00 C ATOM 886 C MET A 59 -5.973 -1.179 6.934 1.00 0.00 C ATOM 887 O MET A 59 -5.486 -2.254 6.650 1.00 0.00 O ATOM 888 CB MET A 59 -8.224 -1.670 7.944 1.00 0.00 C ATOM 889 CG MET A 59 -9.115 -1.436 9.166 1.00 0.00 C ATOM 890 SD MET A 59 -10.599 -2.466 9.037 1.00 0.00 S ATOM 891 CE MET A 59 -11.353 -1.606 7.636 1.00 0.00 C ATOM 0 H MET A 59 -8.029 0.767 7.984 1.00 0.00 H new ATOM 0 HA MET A 59 -6.328 -1.460 9.009 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.695 -1.256 7.053 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.099 -2.739 7.771 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.570 -1.678 10.078 1.00 0.00 H new ATOM 0 HG3 MET A 59 -9.394 -0.384 9.230 1.00 0.00 H new ATOM 0 HE1 MET A 59 -12.303 -1.170 7.945 1.00 0.00 H new ATOM 0 HE2 MET A 59 -10.686 -0.815 7.293 1.00 0.00 H new ATOM 0 HE3 MET A 59 -11.525 -2.313 6.825 1.00 0.00 H new ATOM 901 N VAL A 60 -5.759 -0.123 6.197 1.00 0.00 N ATOM 902 CA VAL A 60 -4.904 -0.227 4.979 1.00 0.00 C ATOM 903 C VAL A 60 -3.635 0.613 5.146 1.00 0.00 C ATOM 904 O VAL A 60 -3.692 1.793 5.427 1.00 0.00 O ATOM 905 CB VAL A 60 -5.765 0.324 3.843 1.00 0.00 C ATOM 906 CG1 VAL A 60 -4.995 0.229 2.524 1.00 0.00 C ATOM 907 CG2 VAL A 60 -7.055 -0.493 3.741 1.00 0.00 C ATOM 0 H VAL A 60 -6.138 0.805 6.385 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.582 -1.251 4.788 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.009 1.367 4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.610 0.622 1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.076 0.810 2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.750 -0.813 2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.671 -0.101 2.931 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.810 -1.536 3.539 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.604 -0.424 4.680 1.00 0.00 H new ATOM 1087 N LYS A 73 8.154 12.813 1.440 1.00 0.00 N ATOM 1088 CA LYS A 73 7.975 11.635 0.544 1.00 0.00 C ATOM 1089 C LYS A 73 8.894 10.487 0.970 1.00 0.00 C ATOM 1090 O LYS A 73 10.102 10.613 0.973 1.00 0.00 O ATOM 1091 CB LYS A 73 8.357 12.140 -0.848 1.00 0.00 C ATOM 1092 CG LYS A 73 7.293 13.120 -1.345 1.00 0.00 C ATOM 1093 CD LYS A 73 7.966 14.405 -1.833 1.00 0.00 C ATOM 1094 CE LYS A 73 8.932 14.077 -2.974 1.00 0.00 C ATOM 1095 NZ LYS A 73 10.097 14.979 -2.761 1.00 0.00 N ATOM 0 HA LYS A 73 6.957 11.246 0.577 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.330 12.630 -0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.446 11.302 -1.539 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.718 12.669 -2.154 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.591 13.347 -0.543 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.213 15.115 -2.174 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.504 14.880 -1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.233 13.030 -2.948 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.470 14.252 -3.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.805 14.814 -3.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.781 15.969 -2.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.521 14.785 -1.831 1.00 0.00 H new ATOM 1109 N SER A 74 8.327 9.367 1.323 1.00 0.00 N ATOM 1110 CA SER A 74 9.161 8.205 1.741 1.00 0.00 C ATOM 1111 C SER A 74 9.072 7.099 0.686 1.00 0.00 C ATOM 1112 O SER A 74 8.120 7.022 -0.064 1.00 0.00 O ATOM 1113 CB SER A 74 8.558 7.736 3.063 1.00 0.00 C ATOM 1114 OG SER A 74 9.528 7.858 4.094 1.00 0.00 O ATOM 0 H SER A 74 7.320 9.206 1.340 1.00 0.00 H new ATOM 0 HA SER A 74 10.214 8.465 1.849 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.677 8.331 3.305 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.230 6.700 2.978 1.00 0.00 H new ATOM 0 HG SER A 74 9.815 6.966 4.380 1.00 0.00 H new ATOM 1120 N VAL A 75 10.054 6.241 0.619 1.00 0.00 N ATOM 1121 CA VAL A 75 10.009 5.147 -0.393 1.00 0.00 C ATOM 1122 C VAL A 75 9.014 4.068 0.037 1.00 0.00 C ATOM 1123 O VAL A 75 8.969 3.670 1.184 1.00 0.00 O ATOM 1124 CB VAL A 75 11.427 4.578 -0.436 1.00 0.00 C ATOM 1125 CG1 VAL A 75 11.585 3.708 -1.684 1.00 0.00 C ATOM 1126 CG2 VAL A 75 12.438 5.727 -0.485 1.00 0.00 C ATOM 0 H VAL A 75 10.880 6.250 1.217 1.00 0.00 H new ATOM 0 HA VAL A 75 9.687 5.508 -1.370 1.00 0.00 H new ATOM 0 HB VAL A 75 11.605 3.976 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.595 3.300 -1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.865 2.890 -1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.407 4.312 -2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.449 5.321 -0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.262 6.329 -1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 75 12.324 6.350 0.402 1.00 0.00 H new ATOM 1136 N VAL A 76 8.216 3.591 -0.877 1.00 0.00 N ATOM 1137 CA VAL A 76 7.220 2.538 -0.527 1.00 0.00 C ATOM 1138 C VAL A 76 7.234 1.425 -1.580 1.00 0.00 C ATOM 1139 O VAL A 76 7.356 1.677 -2.762 1.00 0.00 O ATOM 1140 CB VAL A 76 5.870 3.256 -0.523 1.00 0.00 C ATOM 1141 CG1 VAL A 76 4.753 2.247 -0.255 1.00 0.00 C ATOM 1142 CG2 VAL A 76 5.864 4.324 0.574 1.00 0.00 C ATOM 0 H VAL A 76 8.210 3.885 -1.854 1.00 0.00 H new ATOM 0 HA VAL A 76 7.435 2.069 0.433 1.00 0.00 H new ATOM 0 HB VAL A 76 5.708 3.727 -1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.792 2.761 -0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.756 1.486 -1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.914 1.774 0.714 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.902 4.836 0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.027 3.852 1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.659 5.045 0.384 1.00 0.00 H new ATOM 1152 N ALA A 77 7.107 0.196 -1.159 1.00 0.00 N ATOM 1153 CA ALA A 77 7.109 -0.932 -2.136 1.00 0.00 C ATOM 1154 C ALA A 77 5.717 -1.095 -2.749 1.00 0.00 C ATOM 1155 O ALA A 77 4.881 -1.809 -2.233 1.00 0.00 O ATOM 1156 CB ALA A 77 7.480 -2.167 -1.313 1.00 0.00 C ATOM 0 H ALA A 77 7.002 -0.076 -0.182 1.00 0.00 H new ATOM 0 HA ALA A 77 7.804 -0.768 -2.959 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.503 -3.043 -1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.462 -2.023 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.739 -2.317 -0.527 1.00 0.00 H new ATOM 1162 N ASN A 78 5.460 -0.430 -3.842 1.00 0.00 N ATOM 1163 CA ASN A 78 4.118 -0.533 -4.486 1.00 0.00 C ATOM 1164 C ASN A 78 3.784 -1.989 -4.824 1.00 0.00 C ATOM 1165 O ASN A 78 2.634 -2.373 -4.865 1.00 0.00 O ATOM 1166 CB ASN A 78 4.230 0.300 -5.763 1.00 0.00 C ATOM 1167 CG ASN A 78 2.957 0.135 -6.597 1.00 0.00 C ATOM 1168 OD1 ASN A 78 2.127 1.022 -6.642 1.00 0.00 O ATOM 1169 ND2 ASN A 78 2.767 -0.970 -7.265 1.00 0.00 N ATOM 0 H ASN A 78 6.123 0.182 -4.319 1.00 0.00 H new ATOM 0 HA ASN A 78 3.324 -0.179 -3.829 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.379 1.350 -5.512 1.00 0.00 H new ATOM 0 HB3 ASN A 78 5.099 -0.016 -6.340 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.922 -1.089 -7.824 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.463 -1.715 -7.228 1.00 0.00 H new ATOM 1176 N GLN A 79 4.775 -2.802 -5.069 1.00 0.00 N ATOM 1177 CA GLN A 79 4.498 -4.230 -5.405 1.00 0.00 C ATOM 1178 C GLN A 79 4.948 -5.147 -4.265 1.00 0.00 C ATOM 1179 O GLN A 79 5.296 -4.696 -3.191 1.00 0.00 O ATOM 1180 CB GLN A 79 5.313 -4.505 -6.670 1.00 0.00 C ATOM 1181 CG GLN A 79 4.407 -4.377 -7.896 1.00 0.00 C ATOM 1182 CD GLN A 79 3.937 -5.765 -8.331 1.00 0.00 C ATOM 1183 OE1 GLN A 79 4.574 -6.757 -8.034 1.00 0.00 O ATOM 1184 NE2 GLN A 79 2.839 -5.880 -9.028 1.00 0.00 N ATOM 0 H GLN A 79 5.761 -2.542 -5.052 1.00 0.00 H new ATOM 0 HA GLN A 79 3.435 -4.417 -5.555 1.00 0.00 H new ATOM 0 HB2 GLN A 79 6.142 -3.801 -6.742 1.00 0.00 H new ATOM 0 HB3 GLN A 79 5.746 -5.504 -6.627 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.548 -3.747 -7.662 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.946 -3.892 -8.710 1.00 0.00 H new ATOM 0 HE21 GLN A 79 2.304 -5.048 -9.278 1.00 0.00 H new ATOM 0 HE22 GLN A 79 2.516 -6.802 -9.323 1.00 0.00 H new ATOM 1193 N LEU A 80 4.942 -6.434 -4.489 1.00 0.00 N ATOM 1194 CA LEU A 80 5.367 -7.382 -3.418 1.00 0.00 C ATOM 1195 C LEU A 80 6.812 -7.834 -3.652 1.00 0.00 C ATOM 1196 O LEU A 80 7.211 -8.124 -4.762 1.00 0.00 O ATOM 1197 CB LEU A 80 4.410 -8.569 -3.537 1.00 0.00 C ATOM 1198 CG LEU A 80 4.742 -9.601 -2.458 1.00 0.00 C ATOM 1199 CD1 LEU A 80 3.482 -10.393 -2.101 1.00 0.00 C ATOM 1200 CD2 LEU A 80 5.812 -10.561 -2.984 1.00 0.00 C ATOM 0 H LEU A 80 4.661 -6.870 -5.367 1.00 0.00 H new ATOM 0 HA LEU A 80 5.333 -6.927 -2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.379 -8.231 -3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.494 -9.020 -4.526 1.00 0.00 H new ATOM 0 HG LEU A 80 5.114 -9.090 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.720 -11.128 -1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.718 -9.712 -1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.110 -10.904 -2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.050 -11.297 -2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.439 -11.071 -3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.711 -10.000 -3.239 1.00 0.00 H new ATOM 1212 N ILE A 81 7.599 -7.895 -2.612 1.00 0.00 N ATOM 1213 CA ILE A 81 9.019 -8.328 -2.775 1.00 0.00 C ATOM 1214 C ILE A 81 9.289 -9.570 -1.917 1.00 0.00 C ATOM 1215 O ILE A 81 9.425 -9.477 -0.713 1.00 0.00 O ATOM 1216 CB ILE A 81 9.857 -7.142 -2.293 1.00 0.00 C ATOM 1217 CG1 ILE A 81 9.358 -5.855 -2.957 1.00 0.00 C ATOM 1218 CG2 ILE A 81 11.322 -7.363 -2.668 1.00 0.00 C ATOM 1219 CD1 ILE A 81 9.284 -4.739 -1.913 1.00 0.00 C ATOM 0 H ILE A 81 7.322 -7.664 -1.658 1.00 0.00 H new ATOM 0 HA ILE A 81 9.257 -8.595 -3.805 1.00 0.00 H new ATOM 0 HB ILE A 81 9.764 -7.055 -1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 81 10.029 -5.567 -3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.376 -6.019 -3.400 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.917 -6.517 -2.324 1.00 0.00 H new ATOM 0 HG22 ILE A 81 11.684 -8.277 -2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.411 -7.453 -3.751 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.929 -3.823 -2.385 1.00 0.00 H new ATOM 0 HD12 ILE A 81 8.596 -5.029 -1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.274 -4.570 -1.491 1.00 0.00 H new ATOM 1231 N PRO A 82 9.346 -10.698 -2.573 1.00 0.00 N ATOM 1232 CA PRO A 82 9.585 -11.984 -1.870 1.00 0.00 C ATOM 1233 C PRO A 82 11.060 -12.141 -1.470 1.00 0.00 C ATOM 1234 O PRO A 82 11.928 -12.176 -2.315 1.00 0.00 O ATOM 1235 CB PRO A 82 9.200 -13.034 -2.908 1.00 0.00 C ATOM 1236 CG PRO A 82 9.376 -12.361 -4.234 1.00 0.00 C ATOM 1237 CD PRO A 82 9.188 -10.879 -4.019 1.00 0.00 C ATOM 0 HA PRO A 82 9.017 -12.063 -0.943 1.00 0.00 H new ATOM 0 HB2 PRO A 82 9.834 -13.917 -2.828 1.00 0.00 H new ATOM 0 HB3 PRO A 82 8.171 -13.366 -2.769 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.366 -12.567 -4.640 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.651 -12.739 -4.955 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.925 -10.300 -4.575 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.205 -10.550 -4.356 1.00 0.00 H new ATOM 1245 N ILE A 83 11.317 -12.235 -0.179 1.00 0.00 N ATOM 1246 CA ILE A 83 12.715 -12.400 0.368 1.00 0.00 C ATOM 1247 C ILE A 83 13.798 -12.362 -0.720 1.00 0.00 C ATOM 1248 O ILE A 83 13.834 -13.194 -1.605 1.00 0.00 O ATOM 1249 CB ILE A 83 12.747 -13.785 1.031 1.00 0.00 C ATOM 1250 CG1 ILE A 83 11.442 -14.071 1.788 1.00 0.00 C ATOM 1251 CG2 ILE A 83 13.920 -13.837 2.011 1.00 0.00 C ATOM 1252 CD1 ILE A 83 11.412 -13.272 3.091 1.00 0.00 C ATOM 0 H ILE A 83 10.594 -12.203 0.540 1.00 0.00 H new ATOM 0 HA ILE A 83 12.929 -11.578 1.052 1.00 0.00 H new ATOM 0 HB ILE A 83 12.862 -14.540 0.253 1.00 0.00 H new ATOM 0 HG12 ILE A 83 10.586 -13.805 1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 83 11.362 -15.137 2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 83 13.952 -14.817 2.488 1.00 0.00 H new ATOM 0 HG22 ILE A 83 14.852 -13.664 1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 83 13.793 -13.067 2.772 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.484 -13.479 3.624 1.00 0.00 H new ATOM 0 HD12 ILE A 83 12.259 -13.559 3.714 1.00 0.00 H new ATOM 0 HD13 ILE A 83 11.471 -12.207 2.866 1.00 0.00 H new ATOM 1264 N ASN A 84 14.702 -11.426 -0.637 1.00 0.00 N ATOM 1265 CA ASN A 84 15.803 -11.357 -1.644 1.00 0.00 C ATOM 1266 C ASN A 84 15.244 -11.126 -3.050 1.00 0.00 C ATOM 1267 O ASN A 84 15.118 -12.043 -3.837 1.00 0.00 O ATOM 1268 CB ASN A 84 16.500 -12.716 -1.563 1.00 0.00 C ATOM 1269 CG ASN A 84 17.783 -12.580 -0.742 1.00 0.00 C ATOM 1270 OD1 ASN A 84 18.782 -13.201 -1.047 1.00 0.00 O ATOM 1271 ND2 ASN A 84 17.798 -11.788 0.295 1.00 0.00 N ATOM 0 H ASN A 84 14.728 -10.705 0.084 1.00 0.00 H new ATOM 0 HA ASN A 84 16.485 -10.531 -1.442 1.00 0.00 H new ATOM 0 HB2 ASN A 84 15.838 -13.450 -1.104 1.00 0.00 H new ATOM 0 HB3 ASN A 84 16.733 -13.078 -2.564 1.00 0.00 H new ATOM 0 HD21 ASN A 84 18.648 -11.690 0.850 1.00 0.00 H new ATOM 0 HD22 ASN A 84 16.959 -11.267 0.551 1.00 0.00 H new ATOM 1278 N THR A 85 14.923 -9.905 -3.374 1.00 0.00 N ATOM 1279 CA THR A 85 14.388 -9.609 -4.733 1.00 0.00 C ATOM 1280 C THR A 85 14.907 -8.247 -5.203 1.00 0.00 C ATOM 1281 O THR A 85 14.443 -7.212 -4.767 1.00 0.00 O ATOM 1282 CB THR A 85 12.869 -9.585 -4.566 1.00 0.00 C ATOM 1283 OG1 THR A 85 12.390 -10.914 -4.413 1.00 0.00 O ATOM 1284 CG2 THR A 85 12.228 -8.948 -5.800 1.00 0.00 C ATOM 0 H THR A 85 15.008 -9.098 -2.756 1.00 0.00 H new ATOM 0 HA THR A 85 14.696 -10.344 -5.476 1.00 0.00 H new ATOM 0 HB THR A 85 12.609 -9.001 -3.683 1.00 0.00 H new ATOM 0 HG1 THR A 85 12.327 -11.131 -3.459 1.00 0.00 H new ATOM 0 HG21 THR A 85 11.145 -8.931 -5.680 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.596 -7.929 -5.916 1.00 0.00 H new ATOM 0 HG23 THR A 85 12.486 -9.529 -6.685 1.00 0.00 H new ATOM 1292 N ALA A 86 15.871 -8.239 -6.082 1.00 0.00 N ATOM 1293 CA ALA A 86 16.424 -6.944 -6.569 1.00 0.00 C ATOM 1294 C ALA A 86 15.296 -6.017 -7.028 1.00 0.00 C ATOM 1295 O ALA A 86 14.876 -6.049 -8.167 1.00 0.00 O ATOM 1296 CB ALA A 86 17.327 -7.311 -7.745 1.00 0.00 C ATOM 0 H ALA A 86 16.299 -9.073 -6.484 1.00 0.00 H new ATOM 0 HA ALA A 86 16.968 -6.414 -5.787 1.00 0.00 H new ATOM 0 HB1 ALA A 86 17.772 -6.406 -8.158 1.00 0.00 H new ATOM 0 HB2 ALA A 86 18.116 -7.980 -7.403 1.00 0.00 H new ATOM 0 HB3 ALA A 86 16.738 -7.809 -8.515 1.00 0.00 H new ATOM 1302 N LEU A 87 14.808 -5.187 -6.147 1.00 0.00 N ATOM 1303 CA LEU A 87 13.714 -4.251 -6.531 1.00 0.00 C ATOM 1304 C LEU A 87 14.310 -2.942 -7.052 1.00 0.00 C ATOM 1305 O LEU A 87 15.312 -2.465 -6.555 1.00 0.00 O ATOM 1306 CB LEU A 87 12.932 -4.010 -5.240 1.00 0.00 C ATOM 1307 CG LEU A 87 13.881 -3.487 -4.162 1.00 0.00 C ATOM 1308 CD1 LEU A 87 13.295 -2.225 -3.529 1.00 0.00 C ATOM 1309 CD2 LEU A 87 14.066 -4.558 -3.084 1.00 0.00 C ATOM 0 H LEU A 87 15.120 -5.117 -5.178 1.00 0.00 H new ATOM 0 HA LEU A 87 13.079 -4.651 -7.321 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.132 -3.291 -5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.462 -4.936 -4.908 1.00 0.00 H new ATOM 0 HG LEU A 87 14.845 -3.251 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.974 -1.854 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.163 -1.461 -4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.330 -2.458 -3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 87 14.743 -4.187 -2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 87 13.101 -4.794 -2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 87 14.487 -5.458 -3.533 1.00 0.00 H new ATOM 1321 N THR A 88 13.709 -2.359 -8.052 1.00 0.00 N ATOM 1322 CA THR A 88 14.250 -1.084 -8.604 1.00 0.00 C ATOM 1323 C THR A 88 13.209 0.033 -8.480 1.00 0.00 C ATOM 1324 O THR A 88 12.119 -0.172 -7.985 1.00 0.00 O ATOM 1325 CB THR A 88 14.548 -1.387 -10.073 1.00 0.00 C ATOM 1326 OG1 THR A 88 13.571 -2.287 -10.575 1.00 0.00 O ATOM 1327 CG2 THR A 88 15.936 -2.019 -10.193 1.00 0.00 C ATOM 0 H THR A 88 12.868 -2.709 -8.511 1.00 0.00 H new ATOM 0 HA THR A 88 15.138 -0.744 -8.070 1.00 0.00 H new ATOM 0 HB THR A 88 14.521 -0.462 -10.649 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.462 -2.148 -11.539 1.00 0.00 H new ATOM 0 HG21 THR A 88 16.148 -2.235 -11.240 1.00 0.00 H new ATOM 0 HG22 THR A 88 16.685 -1.328 -9.806 1.00 0.00 H new ATOM 0 HG23 THR A 88 15.965 -2.945 -9.619 1.00 0.00 H new ATOM 1335 N LEU A 89 13.539 1.215 -8.924 1.00 0.00 N ATOM 1336 CA LEU A 89 12.572 2.346 -8.828 1.00 0.00 C ATOM 1337 C LEU A 89 11.196 1.920 -9.346 1.00 0.00 C ATOM 1338 O LEU A 89 10.178 2.414 -8.905 1.00 0.00 O ATOM 1339 CB LEU A 89 13.161 3.452 -9.704 1.00 0.00 C ATOM 1340 CG LEU A 89 13.671 2.853 -11.014 1.00 0.00 C ATOM 1341 CD1 LEU A 89 13.176 3.699 -12.186 1.00 0.00 C ATOM 1342 CD2 LEU A 89 15.201 2.843 -11.001 1.00 0.00 C ATOM 0 H LEU A 89 14.437 1.447 -9.349 1.00 0.00 H new ATOM 0 HA LEU A 89 12.430 2.676 -7.799 1.00 0.00 H new ATOM 0 HB2 LEU A 89 12.404 4.209 -9.909 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.976 3.950 -9.179 1.00 0.00 H new ATOM 0 HG LEU A 89 13.300 1.834 -11.121 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.539 3.273 -13.121 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.086 3.711 -12.192 1.00 0.00 H new ATOM 0 HD13 LEU A 89 13.549 4.718 -12.082 1.00 0.00 H new ATOM 0 HD21 LEU A 89 15.570 2.416 -11.934 1.00 0.00 H new ATOM 0 HD22 LEU A 89 15.571 3.863 -10.897 1.00 0.00 H new ATOM 0 HD23 LEU A 89 15.554 2.242 -10.163 1.00 0.00 H new ATOM 1354 N VAL A 90 11.153 1.005 -10.277 1.00 0.00 N ATOM 1355 CA VAL A 90 9.834 0.558 -10.810 1.00 0.00 C ATOM 1356 C VAL A 90 8.981 -0.013 -9.674 1.00 0.00 C ATOM 1357 O VAL A 90 7.811 0.293 -9.548 1.00 0.00 O ATOM 1358 CB VAL A 90 10.160 -0.523 -11.843 1.00 0.00 C ATOM 1359 CG1 VAL A 90 10.845 -1.706 -11.155 1.00 0.00 C ATOM 1360 CG2 VAL A 90 8.865 -1.003 -12.503 1.00 0.00 C ATOM 0 H VAL A 90 11.968 0.551 -10.689 1.00 0.00 H new ATOM 0 HA VAL A 90 9.267 1.376 -11.255 1.00 0.00 H new ATOM 0 HB VAL A 90 10.827 -0.108 -12.599 1.00 0.00 H new ATOM 0 HG11 VAL A 90 11.075 -2.473 -11.894 1.00 0.00 H new ATOM 0 HG12 VAL A 90 11.768 -1.368 -10.683 1.00 0.00 H new ATOM 0 HG13 VAL A 90 10.181 -2.120 -10.397 1.00 0.00 H new ATOM 0 HG21 VAL A 90 9.096 -1.773 -13.239 1.00 0.00 H new ATOM 0 HG22 VAL A 90 8.200 -1.414 -11.743 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.376 -0.164 -12.997 1.00 0.00 H new ATOM 1370 N MET A 91 9.559 -0.832 -8.837 1.00 0.00 N ATOM 1371 CA MET A 91 8.784 -1.411 -7.704 1.00 0.00 C ATOM 1372 C MET A 91 8.799 -0.443 -6.519 1.00 0.00 C ATOM 1373 O MET A 91 7.949 -0.490 -5.651 1.00 0.00 O ATOM 1374 CB MET A 91 9.509 -2.711 -7.350 1.00 0.00 C ATOM 1375 CG MET A 91 9.047 -3.822 -8.294 1.00 0.00 C ATOM 1376 SD MET A 91 10.409 -4.981 -8.575 1.00 0.00 S ATOM 1377 CE MET A 91 9.459 -6.502 -8.337 1.00 0.00 C ATOM 0 H MET A 91 10.535 -1.125 -8.890 1.00 0.00 H new ATOM 0 HA MET A 91 7.739 -1.590 -7.959 1.00 0.00 H new ATOM 0 HB2 MET A 91 10.587 -2.573 -7.432 1.00 0.00 H new ATOM 0 HB3 MET A 91 9.301 -2.987 -6.316 1.00 0.00 H new ATOM 0 HG2 MET A 91 8.192 -4.346 -7.866 1.00 0.00 H new ATOM 0 HG3 MET A 91 8.717 -3.395 -9.241 1.00 0.00 H new ATOM 0 HE1 MET A 91 10.114 -7.364 -8.467 1.00 0.00 H new ATOM 0 HE2 MET A 91 9.038 -6.514 -7.332 1.00 0.00 H new ATOM 0 HE3 MET A 91 8.653 -6.546 -9.069 1.00 0.00 H new ATOM 1387 N MET A 92 9.766 0.435 -6.478 1.00 0.00 N ATOM 1388 CA MET A 92 9.858 1.406 -5.368 1.00 0.00 C ATOM 1389 C MET A 92 9.050 2.665 -5.706 1.00 0.00 C ATOM 1390 O MET A 92 9.259 3.295 -6.724 1.00 0.00 O ATOM 1391 CB MET A 92 11.356 1.708 -5.294 1.00 0.00 C ATOM 1392 CG MET A 92 11.582 3.038 -4.592 1.00 0.00 C ATOM 1393 SD MET A 92 12.294 4.227 -5.756 1.00 0.00 S ATOM 1394 CE MET A 92 11.761 5.729 -4.897 1.00 0.00 C ATOM 0 H MET A 92 10.502 0.515 -7.180 1.00 0.00 H new ATOM 0 HA MET A 92 9.459 1.036 -4.423 1.00 0.00 H new ATOM 0 HB2 MET A 92 11.870 0.911 -4.757 1.00 0.00 H new ATOM 0 HB3 MET A 92 11.779 1.740 -6.298 1.00 0.00 H new ATOM 0 HG2 MET A 92 10.639 3.418 -4.200 1.00 0.00 H new ATOM 0 HG3 MET A 92 12.250 2.903 -3.741 1.00 0.00 H new ATOM 0 HE1 MET A 92 11.924 6.593 -5.541 1.00 0.00 H new ATOM 0 HE2 MET A 92 10.701 5.652 -4.654 1.00 0.00 H new ATOM 0 HE3 MET A 92 12.337 5.847 -3.979 1.00 0.00 H new ATOM 1404 N LYS A 93 8.132 3.036 -4.857 1.00 0.00 N ATOM 1405 CA LYS A 93 7.313 4.254 -5.125 1.00 0.00 C ATOM 1406 C LYS A 93 7.454 5.248 -3.969 1.00 0.00 C ATOM 1407 O LYS A 93 6.915 5.050 -2.898 1.00 0.00 O ATOM 1408 CB LYS A 93 5.874 3.750 -5.228 1.00 0.00 C ATOM 1409 CG LYS A 93 5.618 3.221 -6.640 1.00 0.00 C ATOM 1410 CD LYS A 93 4.246 3.695 -7.122 1.00 0.00 C ATOM 1411 CE LYS A 93 4.218 3.710 -8.653 1.00 0.00 C ATOM 1412 NZ LYS A 93 4.336 5.147 -9.025 1.00 0.00 N ATOM 0 H LYS A 93 7.913 2.549 -3.988 1.00 0.00 H new ATOM 0 HA LYS A 93 7.627 4.773 -6.031 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.700 2.961 -4.496 1.00 0.00 H new ATOM 0 HB3 LYS A 93 5.178 4.557 -4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.395 3.573 -7.318 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.661 2.132 -6.645 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.467 3.035 -6.740 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.037 4.692 -6.734 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.039 3.126 -9.069 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.293 3.278 -9.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.324 5.240 -10.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.538 5.677 -8.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.229 5.530 -8.653 1.00 0.00 H new ATOM 1426 N ALA A 94 8.179 6.314 -4.174 1.00 0.00 N ATOM 1427 CA ALA A 94 8.359 7.318 -3.086 1.00 0.00 C ATOM 1428 C ALA A 94 7.142 8.243 -3.001 1.00 0.00 C ATOM 1429 O ALA A 94 7.009 9.183 -3.760 1.00 0.00 O ATOM 1430 CB ALA A 94 9.607 8.109 -3.479 1.00 0.00 C ATOM 0 H ALA A 94 8.655 6.533 -5.049 1.00 0.00 H new ATOM 0 HA ALA A 94 8.463 6.847 -2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.807 8.871 -2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.460 7.433 -3.547 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.445 8.588 -4.445 1.00 0.00 H new ATOM 1436 N GLU A 95 6.255 7.985 -2.080 1.00 0.00 N ATOM 1437 CA GLU A 95 5.049 8.850 -1.937 1.00 0.00 C ATOM 1438 C GLU A 95 4.976 9.416 -0.516 1.00 0.00 C ATOM 1439 O GLU A 95 5.375 8.774 0.436 1.00 0.00 O ATOM 1440 CB GLU A 95 3.864 7.922 -2.206 1.00 0.00 C ATOM 1441 CG GLU A 95 4.047 6.623 -1.420 1.00 0.00 C ATOM 1442 CD GLU A 95 2.689 5.947 -1.225 1.00 0.00 C ATOM 1443 OE1 GLU A 95 1.916 6.437 -0.419 1.00 0.00 O ATOM 1444 OE2 GLU A 95 2.445 4.951 -1.886 1.00 0.00 O ATOM 0 H GLU A 95 6.313 7.211 -1.419 1.00 0.00 H new ATOM 0 HA GLU A 95 5.063 9.700 -2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 95 2.933 8.409 -1.914 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.791 7.708 -3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.724 5.955 -1.953 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.503 6.833 -0.452 1.00 0.00 H new ATOM 1451 N GLU A 96 4.473 10.611 -0.361 1.00 0.00 N ATOM 1452 CA GLU A 96 4.384 11.206 1.003 1.00 0.00 C ATOM 1453 C GLU A 96 3.336 10.468 1.840 1.00 0.00 C ATOM 1454 O GLU A 96 2.156 10.743 1.756 1.00 0.00 O ATOM 1455 CB GLU A 96 3.964 12.656 0.775 1.00 0.00 C ATOM 1456 CG GLU A 96 4.633 13.546 1.823 1.00 0.00 C ATOM 1457 CD GLU A 96 4.110 13.182 3.213 1.00 0.00 C ATOM 1458 OE1 GLU A 96 4.592 12.210 3.770 1.00 0.00 O ATOM 1459 OE2 GLU A 96 3.236 13.882 3.698 1.00 0.00 O ATOM 0 H GLU A 96 4.121 11.199 -1.117 1.00 0.00 H new ATOM 0 HA GLU A 96 5.327 11.134 1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.250 12.976 -0.227 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.880 12.748 0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.715 13.419 1.786 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.427 14.595 1.609 1.00 0.00 H new ATOM 1466 N VAL A 97 3.759 9.537 2.653 1.00 0.00 N ATOM 1467 CA VAL A 97 2.784 8.790 3.498 1.00 0.00 C ATOM 1468 C VAL A 97 3.407 8.449 4.852 1.00 0.00 C ATOM 1469 O VAL A 97 4.612 8.412 5.004 1.00 0.00 O ATOM 1470 CB VAL A 97 2.471 7.513 2.723 1.00 0.00 C ATOM 1471 CG1 VAL A 97 3.709 6.614 2.702 1.00 0.00 C ATOM 1472 CG2 VAL A 97 1.320 6.775 3.407 1.00 0.00 C ATOM 0 H VAL A 97 4.735 9.262 2.768 1.00 0.00 H new ATOM 0 HA VAL A 97 1.886 9.376 3.696 1.00 0.00 H new ATOM 0 HB VAL A 97 2.187 7.766 1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 97 3.487 5.702 2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 97 4.532 7.140 2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.991 6.359 3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.094 5.862 2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.606 6.521 4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.438 7.415 3.426 1.00 0.00 H new ATOM 1482 N SER A 98 2.589 8.196 5.833 1.00 0.00 N ATOM 1483 CA SER A 98 3.121 7.852 7.183 1.00 0.00 C ATOM 1484 C SER A 98 2.852 6.374 7.498 1.00 0.00 C ATOM 1485 O SER A 98 1.913 5.798 6.986 1.00 0.00 O ATOM 1486 CB SER A 98 2.359 8.759 8.150 1.00 0.00 C ATOM 1487 OG SER A 98 1.894 7.989 9.252 1.00 0.00 O ATOM 0 H SER A 98 1.572 8.212 5.760 1.00 0.00 H new ATOM 0 HA SER A 98 4.199 7.998 7.254 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.008 9.562 8.501 1.00 0.00 H new ATOM 0 HB3 SER A 98 1.518 9.229 7.640 1.00 0.00 H new ATOM 0 HG SER A 98 1.407 8.569 9.874 1.00 0.00 H new ATOM 1493 N PRO A 99 3.681 5.806 8.341 1.00 0.00 N ATOM 1494 CA PRO A 99 4.814 6.554 8.940 1.00 0.00 C ATOM 1495 C PRO A 99 5.973 6.638 7.945 1.00 0.00 C ATOM 1496 O PRO A 99 6.176 5.752 7.139 1.00 0.00 O ATOM 1497 CB PRO A 99 5.201 5.706 10.147 1.00 0.00 C ATOM 1498 CG PRO A 99 4.749 4.317 9.818 1.00 0.00 C ATOM 1499 CD PRO A 99 3.629 4.419 8.812 1.00 0.00 C ATOM 0 HA PRO A 99 4.561 7.580 9.208 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.276 5.738 10.321 1.00 0.00 H new ATOM 0 HB3 PRO A 99 4.720 6.071 11.054 1.00 0.00 H new ATOM 0 HG2 PRO A 99 5.575 3.733 9.411 1.00 0.00 H new ATOM 0 HG3 PRO A 99 4.408 3.804 10.717 1.00 0.00 H new ATOM 0 HD2 PRO A 99 3.768 3.716 7.991 1.00 0.00 H new ATOM 0 HD3 PRO A 99 2.665 4.191 9.267 1.00 0.00 H new ATOM 1507 N LYS A 100 6.736 7.696 7.990 1.00 0.00 N ATOM 1508 CA LYS A 100 7.878 7.825 7.041 1.00 0.00 C ATOM 1509 C LYS A 100 9.041 6.922 7.479 1.00 0.00 C ATOM 1510 O LYS A 100 9.617 7.091 8.534 1.00 0.00 O ATOM 1511 CB LYS A 100 8.260 9.316 7.073 1.00 0.00 C ATOM 1512 CG LYS A 100 9.272 9.602 8.190 1.00 0.00 C ATOM 1513 CD LYS A 100 8.663 9.251 9.550 1.00 0.00 C ATOM 1514 CE LYS A 100 9.763 9.240 10.614 1.00 0.00 C ATOM 1515 NZ LYS A 100 9.160 8.544 11.784 1.00 0.00 N ATOM 0 H LYS A 100 6.619 8.473 8.640 1.00 0.00 H new ATOM 0 HA LYS A 100 7.622 7.509 6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.683 9.607 6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.366 9.921 7.224 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.179 9.020 8.028 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.559 10.653 8.171 1.00 0.00 H new ATOM 0 HD2 LYS A 100 7.894 9.977 9.814 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.178 8.276 9.503 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.651 8.717 10.258 1.00 0.00 H new ATOM 0 HE3 LYS A 100 10.072 10.253 10.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.855 8.497 12.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.321 9.068 12.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.882 7.580 11.509 1.00 0.00 H new ATOM 1529 N GLY A 101 9.380 5.951 6.674 1.00 0.00 N ATOM 1530 CA GLY A 101 10.495 5.033 7.042 1.00 0.00 C ATOM 1531 C GLY A 101 11.816 5.584 6.500 1.00 0.00 C ATOM 1532 O GLY A 101 12.448 6.422 7.110 1.00 0.00 O ATOM 0 H GLY A 101 8.933 5.754 5.778 1.00 0.00 H new ATOM 0 HA2 GLY A 101 10.551 4.929 8.126 1.00 0.00 H new ATOM 0 HA3 GLY A 101 10.310 4.039 6.635 1.00 0.00 H new ATOM 1536 N ILE A 102 12.236 5.116 5.355 1.00 0.00 N ATOM 1537 CA ILE A 102 13.515 5.612 4.771 1.00 0.00 C ATOM 1538 C ILE A 102 13.234 6.480 3.541 1.00 0.00 C ATOM 1539 O ILE A 102 12.468 6.104 2.676 1.00 0.00 O ATOM 1540 CB ILE A 102 14.283 4.350 4.372 1.00 0.00 C ATOM 1541 CG1 ILE A 102 14.373 3.406 5.574 1.00 0.00 C ATOM 1542 CG2 ILE A 102 15.694 4.734 3.923 1.00 0.00 C ATOM 1543 CD1 ILE A 102 15.359 2.279 5.264 1.00 0.00 C ATOM 0 H ILE A 102 11.749 4.412 4.800 1.00 0.00 H new ATOM 0 HA ILE A 102 14.078 6.228 5.472 1.00 0.00 H new ATOM 0 HB ILE A 102 13.762 3.851 3.555 1.00 0.00 H new ATOM 0 HG12 ILE A 102 14.698 3.955 6.458 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.390 2.992 5.799 1.00 0.00 H new ATOM 0 HG21 ILE A 102 16.242 3.836 3.638 1.00 0.00 H new ATOM 0 HG22 ILE A 102 15.633 5.408 3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 102 16.213 5.232 4.742 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.424 1.607 6.119 1.00 0.00 H new ATOM 0 HD12 ILE A 102 15.015 1.724 4.391 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.343 2.702 5.060 1.00 0.00 H new ATOM 1555 N PRO A 103 13.866 7.623 3.508 1.00 0.00 N ATOM 1556 CA PRO A 103 13.683 8.563 2.375 1.00 0.00 C ATOM 1557 C PRO A 103 14.413 8.050 1.130 1.00 0.00 C ATOM 1558 O PRO A 103 15.338 7.267 1.219 1.00 0.00 O ATOM 1559 CB PRO A 103 14.315 9.857 2.879 1.00 0.00 C ATOM 1560 CG PRO A 103 15.306 9.431 3.915 1.00 0.00 C ATOM 1561 CD PRO A 103 14.800 8.143 4.513 1.00 0.00 C ATOM 0 HA PRO A 103 12.639 8.687 2.086 1.00 0.00 H new ATOM 0 HB2 PRO A 103 14.801 10.400 2.068 1.00 0.00 H new ATOM 0 HB3 PRO A 103 13.564 10.523 3.303 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.291 9.288 3.470 1.00 0.00 H new ATOM 0 HG3 PRO A 103 15.412 10.196 4.684 1.00 0.00 H new ATOM 0 HD2 PRO A 103 15.615 7.443 4.700 1.00 0.00 H new ATOM 0 HD3 PRO A 103 14.303 8.315 5.468 1.00 0.00 H new ATOM 1569 N SER A 104 14.004 8.485 -0.032 1.00 0.00 N ATOM 1570 CA SER A 104 14.675 8.021 -1.281 1.00 0.00 C ATOM 1571 C SER A 104 15.928 8.860 -1.551 1.00 0.00 C ATOM 1572 O SER A 104 16.154 9.316 -2.654 1.00 0.00 O ATOM 1573 CB SER A 104 13.641 8.231 -2.386 1.00 0.00 C ATOM 1574 OG SER A 104 12.905 9.419 -2.122 1.00 0.00 O ATOM 0 H SER A 104 13.235 9.141 -0.170 1.00 0.00 H new ATOM 0 HA SER A 104 14.997 6.982 -1.216 1.00 0.00 H new ATOM 0 HB2 SER A 104 14.136 8.304 -3.354 1.00 0.00 H new ATOM 0 HB3 SER A 104 12.967 7.376 -2.437 1.00 0.00 H new ATOM 0 HG SER A 104 12.242 9.557 -2.830 1.00 0.00 H new ATOM 1580 N GLU A 105 16.743 9.064 -0.552 1.00 0.00 N ATOM 1581 CA GLU A 105 17.980 9.872 -0.752 1.00 0.00 C ATOM 1582 C GLU A 105 19.129 8.976 -1.223 1.00 0.00 C ATOM 1583 O GLU A 105 19.959 9.377 -2.015 1.00 0.00 O ATOM 1584 CB GLU A 105 18.293 10.462 0.624 1.00 0.00 C ATOM 1585 CG GLU A 105 18.787 9.352 1.555 1.00 0.00 C ATOM 1586 CD GLU A 105 18.983 9.916 2.963 1.00 0.00 C ATOM 1587 OE1 GLU A 105 19.780 10.827 3.110 1.00 0.00 O ATOM 1588 OE2 GLU A 105 18.331 9.426 3.871 1.00 0.00 O ATOM 0 H GLU A 105 16.606 8.706 0.393 1.00 0.00 H new ATOM 0 HA GLU A 105 17.849 10.645 -1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 105 19.051 11.240 0.534 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.402 10.932 1.041 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.067 8.534 1.577 1.00 0.00 H new ATOM 0 HG3 GLU A 105 19.725 8.941 1.182 1.00 0.00 H new ATOM 1595 N GLU A 106 19.186 7.765 -0.739 1.00 0.00 N ATOM 1596 CA GLU A 106 20.281 6.844 -1.154 1.00 0.00 C ATOM 1597 C GLU A 106 19.719 5.699 -2.002 1.00 0.00 C ATOM 1598 O GLU A 106 20.441 4.822 -2.438 1.00 0.00 O ATOM 1599 CB GLU A 106 20.860 6.312 0.155 1.00 0.00 C ATOM 1600 CG GLU A 106 19.803 5.473 0.874 1.00 0.00 C ATOM 1601 CD GLU A 106 19.896 5.713 2.382 1.00 0.00 C ATOM 1602 OE1 GLU A 106 20.638 4.997 3.032 1.00 0.00 O ATOM 1603 OE2 GLU A 106 19.221 6.610 2.861 1.00 0.00 O ATOM 0 H GLU A 106 18.520 7.374 -0.073 1.00 0.00 H new ATOM 0 HA GLU A 106 21.036 7.343 -1.762 1.00 0.00 H new ATOM 0 HB2 GLU A 106 21.745 5.708 -0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 106 21.176 7.140 0.789 1.00 0.00 H new ATOM 0 HG2 GLU A 106 18.808 5.737 0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 106 19.952 4.416 0.654 1.00 0.00 H new ATOM 1610 N ILE A 107 18.438 5.703 -2.245 1.00 0.00 N ATOM 1611 CA ILE A 107 17.834 4.616 -3.068 1.00 0.00 C ATOM 1612 C ILE A 107 18.538 4.531 -4.425 1.00 0.00 C ATOM 1613 O ILE A 107 18.733 3.462 -4.969 1.00 0.00 O ATOM 1614 CB ILE A 107 16.370 5.019 -3.247 1.00 0.00 C ATOM 1615 CG1 ILE A 107 15.582 3.834 -3.807 1.00 0.00 C ATOM 1616 CG2 ILE A 107 16.279 6.196 -4.222 1.00 0.00 C ATOM 1617 CD1 ILE A 107 14.950 3.051 -2.655 1.00 0.00 C ATOM 0 H ILE A 107 17.783 6.410 -1.910 1.00 0.00 H new ATOM 0 HA ILE A 107 17.931 3.638 -2.597 1.00 0.00 H new ATOM 0 HB ILE A 107 15.954 5.312 -2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 107 14.808 4.188 -4.488 1.00 0.00 H new ATOM 0 HG13 ILE A 107 16.241 3.185 -4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 107 15.235 6.483 -4.349 1.00 0.00 H new ATOM 0 HG22 ILE A 107 16.842 7.041 -3.826 1.00 0.00 H new ATOM 0 HG23 ILE A 107 16.695 5.903 -5.186 1.00 0.00 H new ATOM 0 HD11 ILE A 107 14.388 2.206 -3.054 1.00 0.00 H new ATOM 0 HD12 ILE A 107 15.733 2.685 -1.991 1.00 0.00 H new ATOM 0 HD13 ILE A 107 14.277 3.703 -2.098 1.00 0.00 H new ATOM 1629 N SER A 108 18.920 5.652 -4.974 1.00 0.00 N ATOM 1630 CA SER A 108 19.612 5.638 -6.295 1.00 0.00 C ATOM 1631 C SER A 108 20.780 4.648 -6.272 1.00 0.00 C ATOM 1632 O SER A 108 21.037 3.955 -7.236 1.00 0.00 O ATOM 1633 CB SER A 108 20.123 7.065 -6.490 1.00 0.00 C ATOM 1634 OG SER A 108 21.261 7.272 -5.664 1.00 0.00 O ATOM 0 H SER A 108 18.783 6.577 -4.565 1.00 0.00 H new ATOM 0 HA SER A 108 18.950 5.328 -7.103 1.00 0.00 H new ATOM 0 HB2 SER A 108 20.383 7.231 -7.535 1.00 0.00 H new ATOM 0 HB3 SER A 108 19.341 7.781 -6.238 1.00 0.00 H new ATOM 0 HG SER A 108 21.593 8.186 -5.787 1.00 0.00 H new ATOM 1640 N LYS A 109 21.489 4.579 -5.179 1.00 0.00 N ATOM 1641 CA LYS A 109 22.642 3.635 -5.096 1.00 0.00 C ATOM 1642 C LYS A 109 22.150 2.226 -4.756 1.00 0.00 C ATOM 1643 O LYS A 109 22.764 1.241 -5.117 1.00 0.00 O ATOM 1644 CB LYS A 109 23.521 4.183 -3.971 1.00 0.00 C ATOM 1645 CG LYS A 109 24.963 3.716 -4.176 1.00 0.00 C ATOM 1646 CD LYS A 109 25.652 4.620 -5.199 1.00 0.00 C ATOM 1647 CE LYS A 109 26.936 5.190 -4.594 1.00 0.00 C ATOM 1648 NZ LYS A 109 27.175 6.464 -5.329 1.00 0.00 N ATOM 0 H LYS A 109 21.321 5.134 -4.340 1.00 0.00 H new ATOM 0 HA LYS A 109 23.184 3.562 -6.039 1.00 0.00 H new ATOM 0 HB2 LYS A 109 23.478 5.272 -3.960 1.00 0.00 H new ATOM 0 HB3 LYS A 109 23.150 3.839 -3.005 1.00 0.00 H new ATOM 0 HG2 LYS A 109 25.503 3.743 -3.230 1.00 0.00 H new ATOM 0 HG3 LYS A 109 24.976 2.682 -4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 109 25.883 4.055 -6.102 1.00 0.00 H new ATOM 0 HD3 LYS A 109 24.984 5.430 -5.492 1.00 0.00 H new ATOM 0 HE2 LYS A 109 26.824 5.366 -3.524 1.00 0.00 H new ATOM 0 HE3 LYS A 109 27.771 4.500 -4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 28.040 6.915 -4.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 27.284 6.264 -6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 26.367 7.103 -5.187 1.00 0.00 H new ATOM 1662 N LEU A 110 21.051 2.120 -4.061 1.00 0.00 N ATOM 1663 CA LEU A 110 20.525 0.771 -3.698 1.00 0.00 C ATOM 1664 C LEU A 110 19.449 0.331 -4.693 1.00 0.00 C ATOM 1665 O LEU A 110 18.722 -0.614 -4.457 1.00 0.00 O ATOM 1666 CB LEU A 110 19.929 0.943 -2.303 1.00 0.00 C ATOM 1667 CG LEU A 110 21.017 1.421 -1.343 1.00 0.00 C ATOM 1668 CD1 LEU A 110 20.403 2.351 -0.297 1.00 0.00 C ATOM 1669 CD2 LEU A 110 21.646 0.214 -0.643 1.00 0.00 C ATOM 0 H LEU A 110 20.494 2.907 -3.729 1.00 0.00 H new ATOM 0 HA LEU A 110 21.302 0.007 -3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 110 19.111 1.663 -2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 110 19.511 -0.001 -1.955 1.00 0.00 H new ATOM 0 HG LEU A 110 21.783 1.958 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 110 21.180 2.692 0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 110 19.954 3.211 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 110 19.637 1.814 0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 110 22.422 0.555 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 110 20.879 -0.323 -0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.085 -0.450 -1.387 1.00 0.00 H new ATOM 1681 N VAL A 111 19.341 1.005 -5.804 1.00 0.00 N ATOM 1682 CA VAL A 111 18.311 0.620 -6.812 1.00 0.00 C ATOM 1683 C VAL A 111 18.543 -0.819 -7.284 1.00 0.00 C ATOM 1684 O VAL A 111 19.645 -1.202 -7.622 1.00 0.00 O ATOM 1685 CB VAL A 111 18.501 1.607 -7.968 1.00 0.00 C ATOM 1686 CG1 VAL A 111 17.914 1.021 -9.259 1.00 0.00 C ATOM 1687 CG2 VAL A 111 17.786 2.918 -7.637 1.00 0.00 C ATOM 0 H VAL A 111 19.920 1.805 -6.058 1.00 0.00 H new ATOM 0 HA VAL A 111 17.300 0.659 -6.407 1.00 0.00 H new ATOM 0 HB VAL A 111 19.566 1.792 -8.110 1.00 0.00 H new ATOM 0 HG11 VAL A 111 18.053 1.729 -10.076 1.00 0.00 H new ATOM 0 HG12 VAL A 111 18.422 0.087 -9.498 1.00 0.00 H new ATOM 0 HG13 VAL A 111 16.850 0.831 -9.121 1.00 0.00 H new ATOM 0 HG21 VAL A 111 17.919 3.623 -8.458 1.00 0.00 H new ATOM 0 HG22 VAL A 111 16.723 2.726 -7.493 1.00 0.00 H new ATOM 0 HG23 VAL A 111 18.206 3.341 -6.724 1.00 0.00 H new ATOM 1697 N GLY A 112 17.509 -1.611 -7.321 1.00 0.00 N ATOM 1698 CA GLY A 112 17.665 -3.016 -7.784 1.00 0.00 C ATOM 1699 C GLY A 112 18.400 -3.832 -6.720 1.00 0.00 C ATOM 1700 O GLY A 112 18.989 -4.856 -7.005 1.00 0.00 O ATOM 0 H GLY A 112 16.562 -1.345 -7.050 1.00 0.00 H new ATOM 0 HA2 GLY A 112 16.687 -3.455 -7.981 1.00 0.00 H new ATOM 0 HA3 GLY A 112 18.220 -3.040 -8.722 1.00 0.00 H new ATOM 1704 N MET A 113 18.369 -3.390 -5.492 1.00 0.00 N ATOM 1705 CA MET A 113 19.064 -4.147 -4.410 1.00 0.00 C ATOM 1706 C MET A 113 18.184 -5.305 -3.933 1.00 0.00 C ATOM 1707 O MET A 113 16.974 -5.258 -4.032 1.00 0.00 O ATOM 1708 CB MET A 113 19.277 -3.133 -3.285 1.00 0.00 C ATOM 1709 CG MET A 113 17.922 -2.702 -2.717 1.00 0.00 C ATOM 1710 SD MET A 113 18.143 -2.104 -1.024 1.00 0.00 S ATOM 1711 CE MET A 113 16.625 -1.125 -0.929 1.00 0.00 C ATOM 0 H MET A 113 17.894 -2.539 -5.191 1.00 0.00 H new ATOM 0 HA MET A 113 20.006 -4.579 -4.747 1.00 0.00 H new ATOM 0 HB2 MET A 113 19.889 -3.572 -2.497 1.00 0.00 H new ATOM 0 HB3 MET A 113 19.817 -2.265 -3.662 1.00 0.00 H new ATOM 0 HG2 MET A 113 17.488 -1.918 -3.338 1.00 0.00 H new ATOM 0 HG3 MET A 113 17.226 -3.541 -2.730 1.00 0.00 H new ATOM 0 HE1 MET A 113 16.555 -0.656 0.053 1.00 0.00 H new ATOM 0 HE2 MET A 113 16.641 -0.354 -1.699 1.00 0.00 H new ATOM 0 HE3 MET A 113 15.763 -1.774 -1.083 1.00 0.00 H new ATOM 1721 N GLN A 114 18.781 -6.346 -3.418 1.00 0.00 N ATOM 1722 CA GLN A 114 17.974 -7.504 -2.938 1.00 0.00 C ATOM 1723 C GLN A 114 17.657 -7.352 -1.448 1.00 0.00 C ATOM 1724 O GLN A 114 18.535 -7.152 -0.632 1.00 0.00 O ATOM 1725 CB GLN A 114 18.855 -8.730 -3.180 1.00 0.00 C ATOM 1726 CG GLN A 114 18.564 -9.301 -4.569 1.00 0.00 C ATOM 1727 CD GLN A 114 19.537 -10.443 -4.867 1.00 0.00 C ATOM 1728 OE1 GLN A 114 19.770 -11.291 -4.030 1.00 0.00 O ATOM 1729 NE2 GLN A 114 20.118 -10.500 -6.034 1.00 0.00 N ATOM 0 H GLN A 114 19.790 -6.444 -3.309 1.00 0.00 H new ATOM 0 HA GLN A 114 17.018 -7.582 -3.456 1.00 0.00 H new ATOM 0 HB2 GLN A 114 19.907 -8.456 -3.101 1.00 0.00 H new ATOM 0 HB3 GLN A 114 18.664 -9.485 -2.417 1.00 0.00 H new ATOM 0 HG2 GLN A 114 17.537 -9.663 -4.617 1.00 0.00 H new ATOM 0 HG3 GLN A 114 18.662 -8.520 -5.323 1.00 0.00 H new ATOM 0 HE21 GLN A 114 19.922 -9.787 -6.737 1.00 0.00 H new ATOM 0 HE22 GLN A 114 20.768 -11.257 -6.243 1.00 0.00 H new ATOM 1738 N VAL A 115 16.406 -7.447 -1.090 1.00 0.00 N ATOM 1739 CA VAL A 115 16.022 -7.308 0.344 1.00 0.00 C ATOM 1740 C VAL A 115 16.254 -8.631 1.086 1.00 0.00 C ATOM 1741 O VAL A 115 16.438 -9.667 0.480 1.00 0.00 O ATOM 1742 CB VAL A 115 14.534 -6.957 0.312 1.00 0.00 C ATOM 1743 CG1 VAL A 115 13.780 -8.011 -0.499 1.00 0.00 C ATOM 1744 CG2 VAL A 115 13.982 -6.922 1.736 1.00 0.00 C ATOM 0 H VAL A 115 15.630 -7.615 -1.731 1.00 0.00 H new ATOM 0 HA VAL A 115 16.610 -6.552 0.864 1.00 0.00 H new ATOM 0 HB VAL A 115 14.405 -5.978 -0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 115 12.719 -7.762 -0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 115 14.170 -8.035 -1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 115 13.913 -8.989 -0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 115 12.922 -6.672 1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 115 14.112 -7.899 2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 115 14.518 -6.170 2.316 1.00 0.00 H new ATOM 1754 N ASN A 116 16.251 -8.605 2.391 1.00 0.00 N ATOM 1755 CA ASN A 116 16.473 -9.864 3.160 1.00 0.00 C ATOM 1756 C ASN A 116 15.138 -10.429 3.651 1.00 0.00 C ATOM 1757 O ASN A 116 15.002 -11.613 3.889 1.00 0.00 O ATOM 1758 CB ASN A 116 17.350 -9.452 4.345 1.00 0.00 C ATOM 1759 CG ASN A 116 18.817 -9.735 4.015 1.00 0.00 C ATOM 1760 OD1 ASN A 116 19.603 -8.823 3.856 1.00 0.00 O ATOM 1761 ND2 ASN A 116 19.222 -10.971 3.905 1.00 0.00 N ATOM 0 H ASN A 116 16.105 -7.769 2.957 1.00 0.00 H new ATOM 0 HA ASN A 116 16.941 -10.641 2.555 1.00 0.00 H new ATOM 0 HB2 ASN A 116 17.213 -8.393 4.562 1.00 0.00 H new ATOM 0 HB3 ASN A 116 17.054 -10.002 5.239 1.00 0.00 H new ATOM 0 HD21 ASN A 116 20.198 -11.170 3.686 1.00 0.00 H new ATOM 0 HD22 ASN A 116 18.562 -11.738 4.038 1.00 0.00 H new ATOM 1768 N ARG A 117 14.150 -9.591 3.798 1.00 0.00 N ATOM 1769 CA ARG A 117 12.821 -10.077 4.268 1.00 0.00 C ATOM 1770 C ARG A 117 11.771 -9.866 3.173 1.00 0.00 C ATOM 1771 O ARG A 117 11.933 -9.046 2.293 1.00 0.00 O ATOM 1772 CB ARG A 117 12.496 -9.228 5.498 1.00 0.00 C ATOM 1773 CG ARG A 117 12.377 -7.757 5.090 1.00 0.00 C ATOM 1774 CD ARG A 117 10.966 -7.254 5.405 1.00 0.00 C ATOM 1775 NE ARG A 117 11.001 -6.893 6.851 1.00 0.00 N ATOM 1776 CZ ARG A 117 9.890 -6.633 7.487 1.00 0.00 C ATOM 1777 NH1 ARG A 117 8.792 -7.257 7.163 1.00 0.00 N ATOM 1778 NH2 ARG A 117 9.880 -5.751 8.448 1.00 0.00 N ATOM 0 H ARG A 117 14.205 -8.589 3.613 1.00 0.00 H new ATOM 0 HA ARG A 117 12.828 -11.141 4.504 1.00 0.00 H new ATOM 0 HB2 ARG A 117 11.564 -9.567 5.950 1.00 0.00 H new ATOM 0 HB3 ARG A 117 13.276 -9.345 6.250 1.00 0.00 H new ATOM 0 HG2 ARG A 117 13.116 -7.159 5.624 1.00 0.00 H new ATOM 0 HG3 ARG A 117 12.586 -7.645 4.026 1.00 0.00 H new ATOM 0 HD2 ARG A 117 10.707 -6.393 4.789 1.00 0.00 H new ATOM 0 HD3 ARG A 117 10.219 -8.023 5.208 1.00 0.00 H new ATOM 0 HE ARG A 117 11.893 -6.849 7.344 1.00 0.00 H new ATOM 0 HH11 ARG A 117 8.801 -7.948 6.413 1.00 0.00 H new ATOM 0 HH12 ARG A 117 7.924 -7.054 7.660 1.00 0.00 H new ATOM 0 HH21 ARG A 117 10.740 -5.264 8.703 1.00 0.00 H new ATOM 0 HH22 ARG A 117 9.013 -5.548 8.945 1.00 0.00 H new ATOM 1792 N ALA A 118 10.699 -10.605 3.217 1.00 0.00 N ATOM 1793 CA ALA A 118 9.646 -10.449 2.174 1.00 0.00 C ATOM 1794 C ALA A 118 8.780 -9.222 2.464 1.00 0.00 C ATOM 1795 O ALA A 118 8.314 -9.024 3.569 1.00 0.00 O ATOM 1796 CB ALA A 118 8.805 -11.723 2.259 1.00 0.00 C ATOM 0 H ALA A 118 10.506 -11.310 3.929 1.00 0.00 H new ATOM 0 HA ALA A 118 10.076 -10.307 1.182 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.006 -11.682 1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.437 -12.590 2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 118 8.372 -11.807 3.256 1.00 0.00 H new ATOM 1802 N VAL A 119 8.550 -8.402 1.475 1.00 0.00 N ATOM 1803 CA VAL A 119 7.704 -7.195 1.689 1.00 0.00 C ATOM 1804 C VAL A 119 6.369 -7.373 0.962 1.00 0.00 C ATOM 1805 O VAL A 119 6.288 -8.040 -0.049 1.00 0.00 O ATOM 1806 CB VAL A 119 8.497 -6.035 1.090 1.00 0.00 C ATOM 1807 CG1 VAL A 119 7.684 -4.747 1.206 1.00 0.00 C ATOM 1808 CG2 VAL A 119 9.817 -5.873 1.849 1.00 0.00 C ATOM 0 H VAL A 119 8.912 -8.516 0.528 1.00 0.00 H new ATOM 0 HA VAL A 119 7.480 -7.021 2.741 1.00 0.00 H new ATOM 0 HB VAL A 119 8.703 -6.242 0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 119 8.250 -3.920 0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 119 6.744 -4.860 0.666 1.00 0.00 H new ATOM 0 HG13 VAL A 119 7.477 -4.541 2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 119 10.383 -5.045 1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 119 9.610 -5.667 2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 119 10.399 -6.791 1.767 1.00 0.00 H new ATOM 1818 N TYR A 120 5.318 -6.798 1.478 1.00 0.00 N ATOM 1819 CA TYR A 120 3.989 -6.955 0.820 1.00 0.00 C ATOM 1820 C TYR A 120 3.783 -5.895 -0.266 1.00 0.00 C ATOM 1821 O TYR A 120 4.709 -5.231 -0.688 1.00 0.00 O ATOM 1822 CB TYR A 120 2.971 -6.772 1.944 1.00 0.00 C ATOM 1823 CG TYR A 120 3.248 -7.773 3.041 1.00 0.00 C ATOM 1824 CD1 TYR A 120 3.697 -9.058 2.717 1.00 0.00 C ATOM 1825 CD2 TYR A 120 3.057 -7.413 4.381 1.00 0.00 C ATOM 1826 CE1 TYR A 120 3.954 -9.985 3.733 1.00 0.00 C ATOM 1827 CE2 TYR A 120 3.314 -8.342 5.396 1.00 0.00 C ATOM 1828 CZ TYR A 120 3.763 -9.627 5.073 1.00 0.00 C ATOM 1829 OH TYR A 120 4.016 -10.542 6.076 1.00 0.00 O ATOM 0 H TYR A 120 5.321 -6.228 2.324 1.00 0.00 H new ATOM 0 HA TYR A 120 3.894 -7.922 0.327 1.00 0.00 H new ATOM 0 HB2 TYR A 120 3.028 -5.758 2.339 1.00 0.00 H new ATOM 0 HB3 TYR A 120 1.960 -6.908 1.560 1.00 0.00 H new ATOM 0 HD1 TYR A 120 3.845 -9.334 1.683 1.00 0.00 H new ATOM 0 HD2 TYR A 120 2.712 -6.420 4.631 1.00 0.00 H new ATOM 0 HE1 TYR A 120 4.300 -10.977 3.483 1.00 0.00 H new ATOM 0 HE2 TYR A 120 3.166 -8.066 6.430 1.00 0.00 H new ATOM 0 HH TYR A 120 3.833 -10.131 6.947 1.00 0.00 H new ATOM 1839 N LEU A 121 2.568 -5.745 -0.722 1.00 0.00 N ATOM 1840 CA LEU A 121 2.273 -4.743 -1.784 1.00 0.00 C ATOM 1841 C LEU A 121 2.693 -3.336 -1.340 1.00 0.00 C ATOM 1842 O LEU A 121 3.630 -3.173 -0.589 1.00 0.00 O ATOM 1843 CB LEU A 121 0.758 -4.836 -1.968 1.00 0.00 C ATOM 1844 CG LEU A 121 0.449 -5.312 -3.385 1.00 0.00 C ATOM 1845 CD1 LEU A 121 0.990 -4.299 -4.392 1.00 0.00 C ATOM 1846 CD2 LEU A 121 1.117 -6.669 -3.622 1.00 0.00 C ATOM 0 H LEU A 121 1.761 -6.279 -0.400 1.00 0.00 H new ATOM 0 HA LEU A 121 2.817 -4.936 -2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 121 0.334 -5.527 -1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 121 0.298 -3.864 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 121 -0.630 -5.408 -3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 121 0.770 -4.639 -5.404 1.00 0.00 H new ATOM 0 HD12 LEU A 121 0.518 -3.331 -4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 121 2.069 -4.204 -4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.898 -7.011 -4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 121 2.195 -6.570 -3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 121 0.734 -7.393 -2.903 1.00 0.00 H new ATOM 1858 N ASP A 122 2.011 -2.321 -1.813 1.00 0.00 N ATOM 1859 CA ASP A 122 2.368 -0.918 -1.438 1.00 0.00 C ATOM 1860 C ASP A 122 2.647 -0.801 0.063 1.00 0.00 C ATOM 1861 O ASP A 122 1.774 -0.483 0.847 1.00 0.00 O ATOM 1862 CB ASP A 122 1.141 -0.088 -1.818 1.00 0.00 C ATOM 1863 CG ASP A 122 1.584 1.146 -2.604 1.00 0.00 C ATOM 1864 OD1 ASP A 122 2.229 1.998 -2.017 1.00 0.00 O ATOM 1865 OD2 ASP A 122 1.270 1.219 -3.781 1.00 0.00 O ATOM 0 H ASP A 122 1.217 -2.406 -2.447 1.00 0.00 H new ATOM 0 HA ASP A 122 3.273 -0.582 -1.945 1.00 0.00 H new ATOM 0 HB2 ASP A 122 0.455 -0.687 -2.417 1.00 0.00 H new ATOM 0 HB3 ASP A 122 0.601 0.214 -0.921 1.00 0.00 H new ATOM 1870 N GLN A 123 3.863 -1.048 0.462 1.00 0.00 N ATOM 1871 CA GLN A 123 4.218 -0.945 1.907 1.00 0.00 C ATOM 1872 C GLN A 123 5.287 0.134 2.101 1.00 0.00 C ATOM 1873 O GLN A 123 6.038 0.444 1.197 1.00 0.00 O ATOM 1874 CB GLN A 123 4.768 -2.321 2.280 1.00 0.00 C ATOM 1875 CG GLN A 123 5.434 -2.247 3.657 1.00 0.00 C ATOM 1876 CD GLN A 123 5.656 -3.662 4.194 1.00 0.00 C ATOM 1877 OE1 GLN A 123 6.779 -4.084 4.382 1.00 0.00 O ATOM 1878 NE2 GLN A 123 4.623 -4.418 4.450 1.00 0.00 N ATOM 0 H GLN A 123 4.631 -1.318 -0.153 1.00 0.00 H new ATOM 0 HA GLN A 123 3.366 -0.670 2.528 1.00 0.00 H new ATOM 0 HB2 GLN A 123 3.963 -3.055 2.292 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.489 -2.651 1.532 1.00 0.00 H new ATOM 0 HG2 GLN A 123 6.386 -1.721 3.584 1.00 0.00 H new ATOM 0 HG3 GLN A 123 4.808 -1.680 4.345 1.00 0.00 H new ATOM 0 HE21 GLN A 123 3.680 -4.063 4.292 1.00 0.00 H new ATOM 0 HE22 GLN A 123 4.759 -5.363 4.808 1.00 0.00 H new ATOM 1887 N THR A 124 5.366 0.710 3.268 1.00 0.00 N ATOM 1888 CA THR A 124 6.391 1.767 3.507 1.00 0.00 C ATOM 1889 C THR A 124 7.766 1.135 3.752 1.00 0.00 C ATOM 1890 O THR A 124 7.897 0.173 4.482 1.00 0.00 O ATOM 1891 CB THR A 124 5.911 2.515 4.753 1.00 0.00 C ATOM 1892 OG1 THR A 124 4.835 3.373 4.402 1.00 0.00 O ATOM 1893 CG2 THR A 124 7.061 3.345 5.329 1.00 0.00 C ATOM 0 H THR A 124 4.767 0.496 4.066 1.00 0.00 H new ATOM 0 HA THR A 124 6.500 2.432 2.651 1.00 0.00 H new ATOM 0 HB THR A 124 5.575 1.797 5.501 1.00 0.00 H new ATOM 0 HG1 THR A 124 4.525 3.852 5.199 1.00 0.00 H new ATOM 0 HG21 THR A 124 6.717 3.877 6.216 1.00 0.00 H new ATOM 0 HG22 THR A 124 7.886 2.686 5.598 1.00 0.00 H new ATOM 0 HG23 THR A 124 7.400 4.064 4.583 1.00 0.00 H new ATOM 1901 N LEU A 125 8.791 1.676 3.150 1.00 0.00 N ATOM 1902 CA LEU A 125 10.159 1.116 3.350 1.00 0.00 C ATOM 1903 C LEU A 125 10.701 1.545 4.718 1.00 0.00 C ATOM 1904 O LEU A 125 10.679 2.708 5.067 1.00 0.00 O ATOM 1905 CB LEU A 125 10.997 1.717 2.213 1.00 0.00 C ATOM 1906 CG LEU A 125 12.476 1.763 2.613 1.00 0.00 C ATOM 1907 CD1 LEU A 125 12.953 0.360 2.986 1.00 0.00 C ATOM 1908 CD2 LEU A 125 13.306 2.286 1.437 1.00 0.00 C ATOM 0 H LEU A 125 8.740 2.483 2.528 1.00 0.00 H new ATOM 0 HA LEU A 125 10.177 0.026 3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 125 10.876 1.122 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 125 10.643 2.722 1.983 1.00 0.00 H new ATOM 0 HG LEU A 125 12.597 2.426 3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 125 14.005 0.397 3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 125 12.364 -0.014 3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 125 12.831 -0.305 2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 125 14.358 2.319 1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.182 1.623 0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 125 12.970 3.288 1.172 1.00 0.00 H new ATOM 1920 N MET A 126 11.188 0.616 5.494 1.00 0.00 N ATOM 1921 CA MET A 126 11.729 0.975 6.836 1.00 0.00 C ATOM 1922 C MET A 126 13.205 0.579 6.934 1.00 0.00 C ATOM 1923 O MET A 126 13.684 -0.232 6.167 1.00 0.00 O ATOM 1924 CB MET A 126 10.889 0.173 7.830 1.00 0.00 C ATOM 1925 CG MET A 126 9.422 0.589 7.710 1.00 0.00 C ATOM 1926 SD MET A 126 8.906 1.426 9.229 1.00 0.00 S ATOM 1927 CE MET A 126 8.594 -0.060 10.213 1.00 0.00 C ATOM 0 H MET A 126 11.235 -0.375 5.257 1.00 0.00 H new ATOM 0 HA MET A 126 11.675 2.046 7.031 1.00 0.00 H new ATOM 0 HB2 MET A 126 10.993 -0.894 7.633 1.00 0.00 H new ATOM 0 HB3 MET A 126 11.245 0.345 8.846 1.00 0.00 H new ATOM 0 HG2 MET A 126 9.290 1.251 6.854 1.00 0.00 H new ATOM 0 HG3 MET A 126 8.798 -0.287 7.535 1.00 0.00 H new ATOM 0 HE1 MET A 126 8.258 0.227 11.209 1.00 0.00 H new ATOM 0 HE2 MET A 126 7.824 -0.661 9.730 1.00 0.00 H new ATOM 0 HE3 MET A 126 9.512 -0.643 10.293 1.00 0.00 H new ATOM 1937 N PRO A 127 13.878 1.171 7.883 1.00 0.00 N ATOM 1938 CA PRO A 127 15.318 0.883 8.093 1.00 0.00 C ATOM 1939 C PRO A 127 15.499 -0.512 8.700 1.00 0.00 C ATOM 1940 O PRO A 127 16.460 -1.201 8.419 1.00 0.00 O ATOM 1941 CB PRO A 127 15.760 1.965 9.075 1.00 0.00 C ATOM 1942 CG PRO A 127 14.513 2.365 9.797 1.00 0.00 C ATOM 1943 CD PRO A 127 13.365 2.155 8.843 1.00 0.00 C ATOM 0 HA PRO A 127 15.897 0.891 7.170 1.00 0.00 H new ATOM 0 HB2 PRO A 127 16.512 1.587 9.767 1.00 0.00 H new ATOM 0 HB3 PRO A 127 16.204 2.813 8.554 1.00 0.00 H new ATOM 0 HG2 PRO A 127 14.380 1.766 10.698 1.00 0.00 H new ATOM 0 HG3 PRO A 127 14.567 3.407 10.112 1.00 0.00 H new ATOM 0 HD2 PRO A 127 12.479 1.785 9.359 1.00 0.00 H new ATOM 0 HD3 PRO A 127 13.081 3.084 8.349 1.00 0.00 H new