USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 425 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 31 ASN : amide:sc= -9.67! C(o=-11!,f=-15!) USER MOD Set 1.2: A 36 THR OG1 : rot 180:sc= -1.15 USER MOD Set 2.1: A 32 HIS : no HE2:sc= -4.47! C(o=-5.4!,f=-13!) USER MOD Set 2.2: P 57 TYR OH : rot -64:sc= -0.944 USER MOD Set 3.1: A 28 TYR OH : rot 180:sc= 0.966 USER MOD Set 3.2: A 30 LYS NZ :NH3+ -145:sc= 0.901 (180deg=0.0226) USER MOD Single : A 19 MET CE :methyl 158:sc= -7.39! (180deg=-9.12!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -43:sc= -0.0207 USER MOD Single : A 23 SER OG : rot 180:sc= 0.12 USER MOD Single : A 24 SER OG : rot 61:sc= 1.05 USER MOD Single : A 26 GLN : amide:sc= -0.476 K(o=-0.48,f=-1.9!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 37 THR OG1 : rot 14:sc= -0.129 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -120:sc= -0.0149 (180deg=-0.211) USER MOD Single : P 52 THR OG1 : rot 180:sc= -0.0131 USER MOD Single : P 58 THR OG1 : rot -40:sc= 0.336 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 5 -5.875 11.774 7.720 1.00 0.00 N ATOM 2 CA PHE A 5 -4.825 11.010 6.986 1.00 0.00 C ATOM 3 C PHE A 5 -5.264 10.765 5.540 1.00 0.00 C ATOM 4 O PHE A 5 -6.428 10.874 5.206 1.00 0.00 O ATOM 5 CB PHE A 5 -4.700 9.686 7.740 1.00 0.00 C ATOM 6 CG PHE A 5 -3.486 8.938 7.245 1.00 0.00 C ATOM 7 CD1 PHE A 5 -2.244 9.582 7.182 1.00 0.00 C ATOM 8 CD2 PHE A 5 -3.600 7.600 6.848 1.00 0.00 C ATOM 9 CE1 PHE A 5 -1.118 8.889 6.722 1.00 0.00 C ATOM 10 CE2 PHE A 5 -2.474 6.907 6.389 1.00 0.00 C ATOM 11 CZ PHE A 5 -1.233 7.551 6.326 1.00 0.00 C ATOM 0 HA PHE A 5 -3.877 11.546 6.943 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.615 9.872 8.811 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -5.597 9.084 7.591 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.155 10.614 7.488 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.557 7.103 6.896 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.161 9.386 6.673 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.563 5.875 6.083 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.364 7.016 5.972 1.00 0.00 H new ATOM 21 N GLU A 6 -4.340 10.436 4.679 1.00 0.00 N ATOM 22 CA GLU A 6 -4.704 10.184 3.254 1.00 0.00 C ATOM 23 C GLU A 6 -3.487 9.673 2.481 1.00 0.00 C ATOM 24 O GLU A 6 -2.444 10.297 2.463 1.00 0.00 O ATOM 25 CB GLU A 6 -5.153 11.542 2.714 1.00 0.00 C ATOM 26 CG GLU A 6 -6.634 11.479 2.337 1.00 0.00 C ATOM 27 CD GLU A 6 -7.318 12.789 2.733 1.00 0.00 C ATOM 28 OE1 GLU A 6 -7.271 13.720 1.945 1.00 0.00 O ATOM 29 OE2 GLU A 6 -7.876 12.840 3.817 1.00 0.00 O ATOM 0 H GLU A 6 -3.350 10.331 4.899 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.483 9.429 3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.991 12.315 3.465 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.557 11.814 1.843 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.740 11.310 1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.113 10.640 2.841 1.00 0.00 H new ATOM 36 N ILE A 7 -3.609 8.542 1.840 1.00 0.00 N ATOM 37 CA ILE A 7 -2.457 7.992 1.070 1.00 0.00 C ATOM 38 C ILE A 7 -2.332 8.712 -0.280 1.00 0.00 C ATOM 39 O ILE A 7 -3.326 9.053 -0.889 1.00 0.00 O ATOM 40 CB ILE A 7 -2.790 6.515 0.858 1.00 0.00 C ATOM 41 CG1 ILE A 7 -3.045 5.849 2.213 1.00 0.00 C ATOM 42 CG2 ILE A 7 -1.617 5.823 0.163 1.00 0.00 C ATOM 43 CD1 ILE A 7 -1.788 5.946 3.078 1.00 0.00 C ATOM 0 H ILE A 7 -4.457 7.975 1.816 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.510 8.126 1.593 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.682 6.429 0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.882 6.333 2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.320 4.804 2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.854 4.770 0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.435 6.296 -0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.725 5.909 0.783 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.972 5.471 4.042 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.962 5.442 2.577 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.533 6.994 3.233 1.00 0.00 H new ATOM 55 N PRO A 8 -1.109 8.918 -0.709 1.00 0.00 N ATOM 56 CA PRO A 8 -0.871 9.603 -2.004 1.00 0.00 C ATOM 57 C PRO A 8 -1.219 8.673 -3.170 1.00 0.00 C ATOM 58 O PRO A 8 -1.343 7.475 -3.005 1.00 0.00 O ATOM 59 CB PRO A 8 0.623 9.908 -1.982 1.00 0.00 C ATOM 60 CG PRO A 8 1.212 8.893 -1.054 1.00 0.00 C ATOM 61 CD PRO A 8 0.149 8.544 -0.045 1.00 0.00 C ATOM 0 HA PRO A 8 -1.481 10.497 -2.133 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.056 9.830 -2.979 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.814 10.922 -1.630 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.527 8.006 -1.604 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.097 9.292 -0.558 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.169 7.483 0.204 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.287 9.093 0.886 1.00 0.00 H new ATOM 69 N ASP A 9 -1.378 9.212 -4.347 1.00 0.00 N ATOM 70 CA ASP A 9 -1.716 8.356 -5.519 1.00 0.00 C ATOM 71 C ASP A 9 -0.616 8.450 -6.581 1.00 0.00 C ATOM 72 O ASP A 9 -0.833 8.159 -7.741 1.00 0.00 O ATOM 73 CB ASP A 9 -3.030 8.925 -6.058 1.00 0.00 C ATOM 74 CG ASP A 9 -4.073 7.807 -6.141 1.00 0.00 C ATOM 75 OD1 ASP A 9 -3.675 6.661 -6.272 1.00 0.00 O ATOM 76 OD2 ASP A 9 -5.250 8.117 -6.073 1.00 0.00 O ATOM 0 H ASP A 9 -1.289 10.208 -4.548 1.00 0.00 H new ATOM 0 HA ASP A 9 -1.806 7.304 -5.249 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -3.387 9.723 -5.407 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.872 9.364 -7.043 1.00 0.00 H new ATOM 81 N ASP A 10 0.563 8.853 -6.193 1.00 0.00 N ATOM 82 CA ASP A 10 1.675 8.965 -7.182 1.00 0.00 C ATOM 83 C ASP A 10 2.832 8.037 -6.796 1.00 0.00 C ATOM 84 O ASP A 10 3.693 7.740 -7.600 1.00 0.00 O ATOM 85 CB ASP A 10 2.117 10.427 -7.114 1.00 0.00 C ATOM 86 CG ASP A 10 3.005 10.748 -8.318 1.00 0.00 C ATOM 87 OD1 ASP A 10 4.196 10.493 -8.235 1.00 0.00 O ATOM 88 OD2 ASP A 10 2.481 11.242 -9.302 1.00 0.00 O ATOM 0 H ASP A 10 0.805 9.109 -5.236 1.00 0.00 H new ATOM 0 HA ASP A 10 1.362 8.677 -8.186 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.245 11.082 -7.107 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.661 10.611 -6.188 1.00 0.00 H new ATOM 93 N VAL A 11 2.862 7.577 -5.574 1.00 0.00 N ATOM 94 CA VAL A 11 3.963 6.674 -5.144 1.00 0.00 C ATOM 95 C VAL A 11 4.004 5.422 -6.034 1.00 0.00 C ATOM 96 O VAL A 11 2.977 4.835 -6.314 1.00 0.00 O ATOM 97 CB VAL A 11 3.609 6.300 -3.706 1.00 0.00 C ATOM 98 CG1 VAL A 11 3.612 7.558 -2.835 1.00 0.00 C ATOM 99 CG2 VAL A 11 2.219 5.658 -3.672 1.00 0.00 C ATOM 0 H VAL A 11 2.170 7.789 -4.856 1.00 0.00 H new ATOM 0 HA VAL A 11 4.944 7.144 -5.220 1.00 0.00 H new ATOM 0 HB VAL A 11 4.345 5.593 -3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.359 7.291 -1.809 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.602 8.014 -2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.877 8.267 -3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.966 5.391 -2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.482 6.364 -4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.217 4.761 -4.291 1.00 0.00 H new ATOM 109 N PRO A 12 5.191 5.049 -6.456 1.00 0.00 N ATOM 110 CA PRO A 12 5.342 3.854 -7.322 1.00 0.00 C ATOM 111 C PRO A 12 5.225 2.558 -6.502 1.00 0.00 C ATOM 112 O PRO A 12 5.343 1.473 -7.034 1.00 0.00 O ATOM 113 CB PRO A 12 6.748 3.998 -7.893 1.00 0.00 C ATOM 114 CG PRO A 12 7.493 4.835 -6.899 1.00 0.00 C ATOM 115 CD PRO A 12 6.484 5.693 -6.178 1.00 0.00 C ATOM 0 HA PRO A 12 4.571 3.795 -8.090 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.222 3.025 -8.022 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.728 4.475 -8.873 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.032 4.203 -6.193 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.235 5.456 -7.401 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.687 5.731 -5.108 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.503 6.720 -6.543 1.00 0.00 H new ATOM 123 N LEU A 13 4.998 2.658 -5.215 1.00 0.00 N ATOM 124 CA LEU A 13 4.881 1.429 -4.369 1.00 0.00 C ATOM 125 C LEU A 13 6.191 0.625 -4.419 1.00 0.00 C ATOM 126 O LEU A 13 6.935 0.715 -5.375 1.00 0.00 O ATOM 127 CB LEU A 13 3.727 0.619 -4.971 1.00 0.00 C ATOM 128 CG LEU A 13 2.652 0.391 -3.906 1.00 0.00 C ATOM 129 CD1 LEU A 13 2.089 1.738 -3.448 1.00 0.00 C ATOM 130 CD2 LEU A 13 1.525 -0.462 -4.491 1.00 0.00 C ATOM 0 H LEU A 13 4.888 3.539 -4.713 1.00 0.00 H new ATOM 0 HA LEU A 13 4.694 1.672 -3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.302 1.149 -5.823 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.095 -0.338 -5.342 1.00 0.00 H new ATOM 0 HG LEU A 13 3.092 -0.125 -3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.324 1.574 -2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.892 2.344 -3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.650 2.257 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.760 -0.624 -3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.085 0.052 -5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.926 -1.423 -4.813 1.00 0.00 H new ATOM 142 N PRO A 14 6.434 -0.136 -3.379 1.00 0.00 N ATOM 143 CA PRO A 14 7.666 -0.956 -3.307 1.00 0.00 C ATOM 144 C PRO A 14 7.505 -2.268 -4.087 1.00 0.00 C ATOM 145 O PRO A 14 6.460 -2.553 -4.636 1.00 0.00 O ATOM 146 CB PRO A 14 7.837 -1.205 -1.812 1.00 0.00 C ATOM 147 CG PRO A 14 6.468 -1.065 -1.213 1.00 0.00 C ATOM 148 CD PRO A 14 5.597 -0.306 -2.185 1.00 0.00 C ATOM 0 HA PRO A 14 8.533 -0.467 -3.752 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.245 -2.198 -1.626 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.531 -0.488 -1.373 1.00 0.00 H new ATOM 0 HG2 PRO A 14 6.041 -2.047 -1.009 1.00 0.00 H new ATOM 0 HG3 PRO A 14 6.523 -0.537 -0.261 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.686 -0.858 -2.415 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.291 0.657 -1.775 1.00 0.00 H new ATOM 156 N ALA A 15 8.543 -3.064 -4.148 1.00 0.00 N ATOM 157 CA ALA A 15 8.461 -4.353 -4.899 1.00 0.00 C ATOM 158 C ALA A 15 7.567 -5.345 -4.152 1.00 0.00 C ATOM 159 O ALA A 15 7.436 -5.286 -2.945 1.00 0.00 O ATOM 160 CB ALA A 15 9.899 -4.869 -4.960 1.00 0.00 C ATOM 0 H ALA A 15 9.445 -2.876 -3.709 1.00 0.00 H new ATOM 0 HA ALA A 15 8.031 -4.224 -5.893 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.923 -5.817 -5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.525 -4.142 -5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.276 -5.017 -3.948 1.00 0.00 H new ATOM 166 N GLY A 16 6.933 -6.248 -4.856 1.00 0.00 N ATOM 167 CA GLY A 16 6.040 -7.218 -4.178 1.00 0.00 C ATOM 168 C GLY A 16 4.957 -6.435 -3.446 1.00 0.00 C ATOM 169 O GLY A 16 4.426 -6.868 -2.443 1.00 0.00 O ATOM 0 H GLY A 16 6.999 -6.351 -5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.593 -7.896 -4.905 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.606 -7.831 -3.477 1.00 0.00 H new ATOM 173 N TRP A 17 4.641 -5.270 -3.939 1.00 0.00 N ATOM 174 CA TRP A 17 3.611 -4.440 -3.274 1.00 0.00 C ATOM 175 C TRP A 17 2.779 -3.680 -4.309 1.00 0.00 C ATOM 176 O TRP A 17 3.122 -2.587 -4.711 1.00 0.00 O ATOM 177 CB TRP A 17 4.404 -3.462 -2.414 1.00 0.00 C ATOM 178 CG TRP A 17 4.693 -4.075 -1.085 1.00 0.00 C ATOM 179 CD1 TRP A 17 5.924 -4.377 -0.609 1.00 0.00 C ATOM 180 CD2 TRP A 17 3.750 -4.457 -0.054 1.00 0.00 C ATOM 181 NE1 TRP A 17 5.788 -4.910 0.663 1.00 0.00 N ATOM 182 CE2 TRP A 17 4.461 -4.981 1.047 1.00 0.00 C ATOM 183 CE3 TRP A 17 2.355 -4.393 0.023 1.00 0.00 C ATOM 184 CZ2 TRP A 17 3.801 -5.426 2.194 1.00 0.00 C ATOM 185 CZ3 TRP A 17 1.683 -4.837 1.168 1.00 0.00 C ATOM 186 CH2 TRP A 17 2.403 -5.352 2.254 1.00 0.00 C ATOM 0 H TRP A 17 5.055 -4.860 -4.776 1.00 0.00 H new ATOM 0 HA TRP A 17 2.913 -5.040 -2.690 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.336 -3.198 -2.913 1.00 0.00 H new ATOM 0 HB3 TRP A 17 3.840 -2.538 -2.284 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.856 -4.227 -1.133 1.00 0.00 H new ATOM 0 HE1 TRP A 17 6.570 -5.213 1.244 1.00 0.00 H new ATOM 0 HE3 TRP A 17 1.791 -3.997 -0.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.362 -5.823 3.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 0.605 -4.782 1.214 1.00 0.00 H new ATOM 0 HH2 TRP A 17 1.881 -5.692 3.136 1.00 0.00 H new ATOM 197 N GLU A 18 1.682 -4.243 -4.727 1.00 0.00 N ATOM 198 CA GLU A 18 0.811 -3.546 -5.717 1.00 0.00 C ATOM 199 C GLU A 18 -0.372 -2.940 -4.989 1.00 0.00 C ATOM 200 O GLU A 18 -0.368 -2.803 -3.783 1.00 0.00 O ATOM 201 CB GLU A 18 0.339 -4.631 -6.684 1.00 0.00 C ATOM 202 CG GLU A 18 0.260 -4.053 -8.098 1.00 0.00 C ATOM 203 CD GLU A 18 1.056 -4.941 -9.057 1.00 0.00 C ATOM 204 OE1 GLU A 18 0.514 -5.945 -9.491 1.00 0.00 O ATOM 205 OE2 GLU A 18 2.193 -4.603 -9.340 1.00 0.00 O ATOM 0 H GLU A 18 1.348 -5.159 -4.426 1.00 0.00 H new ATOM 0 HA GLU A 18 1.331 -2.746 -6.243 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.027 -5.476 -6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.637 -5.007 -6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.780 -3.992 -8.420 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.658 -3.038 -8.110 1.00 0.00 H new ATOM 212 N MET A 19 -1.383 -2.580 -5.707 1.00 0.00 N ATOM 213 CA MET A 19 -2.577 -1.993 -5.044 1.00 0.00 C ATOM 214 C MET A 19 -3.780 -1.999 -5.972 1.00 0.00 C ATOM 215 O MET A 19 -3.658 -2.063 -7.180 1.00 0.00 O ATOM 216 CB MET A 19 -2.172 -0.575 -4.643 1.00 0.00 C ATOM 217 CG MET A 19 -2.074 0.345 -5.871 1.00 0.00 C ATOM 218 SD MET A 19 -0.529 0.031 -6.759 1.00 0.00 S ATOM 219 CE MET A 19 0.306 1.563 -6.285 1.00 0.00 C ATOM 0 H MET A 19 -1.441 -2.664 -6.722 1.00 0.00 H new ATOM 0 HA MET A 19 -2.880 -2.573 -4.173 1.00 0.00 H new ATOM 0 HB2 MET A 19 -2.901 -0.171 -3.940 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.212 -0.601 -4.127 1.00 0.00 H new ATOM 0 HG2 MET A 19 -2.924 0.175 -6.532 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.118 1.388 -5.558 1.00 0.00 H new ATOM 0 HE1 MET A 19 1.384 1.434 -6.379 1.00 0.00 H new ATOM 0 HE2 MET A 19 -0.021 2.372 -6.938 1.00 0.00 H new ATOM 0 HE3 MET A 19 0.058 1.808 -5.252 1.00 0.00 H new ATOM 229 N ALA A 20 -4.945 -1.949 -5.404 1.00 0.00 N ATOM 230 CA ALA A 20 -6.174 -1.968 -6.226 1.00 0.00 C ATOM 231 C ALA A 20 -7.375 -1.600 -5.358 1.00 0.00 C ATOM 232 O ALA A 20 -7.464 -1.986 -4.206 1.00 0.00 O ATOM 233 CB ALA A 20 -6.272 -3.411 -6.713 1.00 0.00 C ATOM 0 H ALA A 20 -5.098 -1.895 -4.397 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.154 -1.258 -7.053 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.159 -3.525 -7.336 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.385 -3.659 -7.296 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.342 -4.080 -5.856 1.00 0.00 H new ATOM 239 N LYS A 21 -8.297 -0.851 -5.891 1.00 0.00 N ATOM 240 CA LYS A 21 -9.483 -0.465 -5.082 1.00 0.00 C ATOM 241 C LYS A 21 -10.541 -1.566 -5.153 1.00 0.00 C ATOM 242 O LYS A 21 -10.890 -2.043 -6.215 1.00 0.00 O ATOM 243 CB LYS A 21 -9.996 0.841 -5.700 1.00 0.00 C ATOM 244 CG LYS A 21 -10.541 0.585 -7.108 1.00 0.00 C ATOM 245 CD LYS A 21 -11.020 1.905 -7.710 1.00 0.00 C ATOM 246 CE LYS A 21 -10.580 1.991 -9.172 1.00 0.00 C ATOM 247 NZ LYS A 21 -11.777 1.574 -9.957 1.00 0.00 N ATOM 0 H LYS A 21 -8.281 -0.492 -6.845 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.240 -0.329 -4.028 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.779 1.266 -5.071 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.189 1.573 -5.743 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.766 0.145 -7.736 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.363 -0.130 -7.068 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.106 1.975 -7.642 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.610 2.743 -7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.269 3.003 -9.432 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.731 1.336 -9.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.555 1.607 -10.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.045 0.605 -9.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.567 2.219 -9.754 1.00 0.00 H new ATOM 261 N THR A 22 -11.051 -1.975 -4.029 1.00 0.00 N ATOM 262 CA THR A 22 -12.086 -3.042 -4.029 1.00 0.00 C ATOM 263 C THR A 22 -13.447 -2.429 -4.356 1.00 0.00 C ATOM 264 O THR A 22 -13.539 -1.439 -5.054 1.00 0.00 O ATOM 265 CB THR A 22 -12.072 -3.625 -2.613 1.00 0.00 C ATOM 266 OG1 THR A 22 -10.775 -3.484 -2.048 1.00 0.00 O ATOM 267 CG2 THR A 22 -12.443 -5.107 -2.672 1.00 0.00 C ATOM 0 H THR A 22 -10.796 -1.617 -3.109 1.00 0.00 H new ATOM 0 HA THR A 22 -11.892 -3.815 -4.773 1.00 0.00 H new ATOM 0 HB THR A 22 -12.793 -3.090 -1.995 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.099 -3.712 -2.720 1.00 0.00 H new ATOM 0 HG21 THR A 22 -12.434 -5.525 -1.665 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.439 -5.216 -3.101 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.721 -5.638 -3.292 1.00 0.00 H new ATOM 275 N SER A 23 -14.499 -3.002 -3.859 1.00 0.00 N ATOM 276 CA SER A 23 -15.856 -2.446 -4.143 1.00 0.00 C ATOM 277 C SER A 23 -16.161 -1.262 -3.216 1.00 0.00 C ATOM 278 O SER A 23 -17.183 -1.224 -2.561 1.00 0.00 O ATOM 279 CB SER A 23 -16.821 -3.596 -3.870 1.00 0.00 C ATOM 280 OG SER A 23 -16.328 -4.388 -2.799 1.00 0.00 O ATOM 0 H SER A 23 -14.485 -3.832 -3.267 1.00 0.00 H new ATOM 0 HA SER A 23 -15.937 -2.074 -5.164 1.00 0.00 H new ATOM 0 HB2 SER A 23 -17.808 -3.205 -3.622 1.00 0.00 H new ATOM 0 HB3 SER A 23 -16.936 -4.208 -4.765 1.00 0.00 H new ATOM 0 HG SER A 23 -16.950 -5.125 -2.624 1.00 0.00 H new ATOM 286 N SER A 24 -15.284 -0.293 -3.160 1.00 0.00 N ATOM 287 CA SER A 24 -15.519 0.895 -2.278 1.00 0.00 C ATOM 288 C SER A 24 -14.330 1.859 -2.359 1.00 0.00 C ATOM 289 O SER A 24 -13.965 2.489 -1.387 1.00 0.00 O ATOM 290 CB SER A 24 -15.648 0.333 -0.859 1.00 0.00 C ATOM 291 OG SER A 24 -17.012 0.345 -0.467 1.00 0.00 O ATOM 0 H SER A 24 -14.412 -0.271 -3.688 1.00 0.00 H new ATOM 0 HA SER A 24 -16.408 1.451 -2.576 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.257 -0.684 -0.822 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.054 0.928 -0.165 1.00 0.00 H new ATOM 0 HG SER A 24 -17.532 -0.223 -1.074 1.00 0.00 H new ATOM 297 N GLY A 25 -13.719 1.974 -3.508 1.00 0.00 N ATOM 298 CA GLY A 25 -12.550 2.891 -3.647 1.00 0.00 C ATOM 299 C GLY A 25 -11.497 2.542 -2.597 1.00 0.00 C ATOM 300 O GLY A 25 -10.659 3.353 -2.254 1.00 0.00 O ATOM 0 H GLY A 25 -13.979 1.472 -4.357 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -12.124 2.804 -4.647 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.870 3.926 -3.525 1.00 0.00 H new ATOM 304 N GLN A 26 -11.525 1.345 -2.083 1.00 0.00 N ATOM 305 CA GLN A 26 -10.517 0.961 -1.060 1.00 0.00 C ATOM 306 C GLN A 26 -9.253 0.461 -1.747 1.00 0.00 C ATOM 307 O GLN A 26 -9.017 -0.726 -1.857 1.00 0.00 O ATOM 308 CB GLN A 26 -11.170 -0.151 -0.248 1.00 0.00 C ATOM 309 CG GLN A 26 -12.314 0.433 0.581 1.00 0.00 C ATOM 310 CD GLN A 26 -11.782 1.539 1.498 1.00 0.00 C ATOM 311 OE1 GLN A 26 -11.622 2.668 1.077 1.00 0.00 O ATOM 312 NE2 GLN A 26 -11.501 1.262 2.741 1.00 0.00 N ATOM 0 H GLN A 26 -12.199 0.619 -2.326 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.227 1.798 -0.425 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -11.547 -0.928 -0.912 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.434 -0.620 0.406 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -13.084 0.834 -0.078 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.781 -0.352 1.176 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.635 0.315 3.095 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.147 1.992 3.359 1.00 0.00 H new ATOM 321 N ARG A 27 -8.443 1.366 -2.208 1.00 0.00 N ATOM 322 CA ARG A 27 -7.180 0.967 -2.894 1.00 0.00 C ATOM 323 C ARG A 27 -6.280 0.207 -1.925 1.00 0.00 C ATOM 324 O ARG A 27 -5.359 0.762 -1.356 1.00 0.00 O ATOM 325 CB ARG A 27 -6.512 2.276 -3.311 1.00 0.00 C ATOM 326 CG ARG A 27 -6.374 3.186 -2.092 1.00 0.00 C ATOM 327 CD ARG A 27 -4.977 3.803 -2.087 1.00 0.00 C ATOM 328 NE ARG A 27 -5.214 5.276 -2.020 1.00 0.00 N ATOM 329 CZ ARG A 27 -4.309 6.128 -2.443 1.00 0.00 C ATOM 330 NH1 ARG A 27 -3.166 5.717 -2.935 1.00 0.00 N ATOM 331 NH2 ARG A 27 -4.551 7.408 -2.372 1.00 0.00 N ATOM 0 H ARG A 27 -8.599 2.372 -2.141 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.368 0.316 -3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.531 2.075 -3.742 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.104 2.770 -4.082 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.131 3.969 -2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.537 2.617 -1.177 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.394 3.456 -1.234 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.421 3.532 -2.984 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.093 5.626 -1.639 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.966 4.719 -2.995 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.476 6.396 -3.258 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.437 7.739 -1.990 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.854 8.078 -2.698 1.00 0.00 H new ATOM 345 N TYR A 28 -6.527 -1.055 -1.737 1.00 0.00 N ATOM 346 CA TYR A 28 -5.668 -1.834 -0.805 1.00 0.00 C ATOM 347 C TYR A 28 -4.374 -2.204 -1.508 1.00 0.00 C ATOM 348 O TYR A 28 -4.370 -2.628 -2.645 1.00 0.00 O ATOM 349 CB TYR A 28 -6.463 -3.079 -0.402 1.00 0.00 C ATOM 350 CG TYR A 28 -6.782 -3.951 -1.598 1.00 0.00 C ATOM 351 CD1 TYR A 28 -5.902 -4.969 -1.991 1.00 0.00 C ATOM 352 CD2 TYR A 28 -7.985 -3.770 -2.283 1.00 0.00 C ATOM 353 CE1 TYR A 28 -6.233 -5.796 -3.071 1.00 0.00 C ATOM 354 CE2 TYR A 28 -8.317 -4.598 -3.358 1.00 0.00 C ATOM 355 CZ TYR A 28 -7.442 -5.612 -3.754 1.00 0.00 C ATOM 356 OH TYR A 28 -7.767 -6.431 -4.815 1.00 0.00 O ATOM 0 H TYR A 28 -7.280 -1.579 -2.183 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.405 -1.260 0.084 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.892 -3.655 0.327 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.390 -2.777 0.086 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.972 -5.115 -1.462 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -8.663 -2.986 -1.980 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.554 -6.578 -3.378 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.250 -4.454 -3.883 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.640 -6.169 -5.175 1.00 0.00 H new ATOM 366 N PHE A 29 -3.275 -2.026 -0.842 1.00 0.00 N ATOM 367 CA PHE A 29 -1.975 -2.343 -1.473 1.00 0.00 C ATOM 368 C PHE A 29 -1.701 -3.839 -1.390 1.00 0.00 C ATOM 369 O PHE A 29 -1.460 -4.395 -0.337 1.00 0.00 O ATOM 370 CB PHE A 29 -0.949 -1.517 -0.696 1.00 0.00 C ATOM 371 CG PHE A 29 -1.223 -0.055 -0.964 1.00 0.00 C ATOM 372 CD1 PHE A 29 -2.226 0.618 -0.252 1.00 0.00 C ATOM 373 CD2 PHE A 29 -0.494 0.622 -1.948 1.00 0.00 C ATOM 374 CE1 PHE A 29 -2.494 1.963 -0.522 1.00 0.00 C ATOM 375 CE2 PHE A 29 -0.766 1.967 -2.220 1.00 0.00 C ATOM 376 CZ PHE A 29 -1.765 2.638 -1.508 1.00 0.00 C ATOM 0 H PHE A 29 -3.222 -1.674 0.114 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.945 -2.098 -2.535 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.020 -1.728 0.371 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.063 -1.778 -1.006 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.792 0.097 0.506 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.279 0.106 -2.498 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.264 2.482 0.030 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.204 2.488 -2.981 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.974 3.676 -1.719 1.00 0.00 H new ATOM 386 N LYS A 30 -1.748 -4.484 -2.515 1.00 0.00 N ATOM 387 CA LYS A 30 -1.501 -5.941 -2.573 1.00 0.00 C ATOM 388 C LYS A 30 -0.045 -6.231 -2.232 1.00 0.00 C ATOM 389 O LYS A 30 0.835 -5.431 -2.483 1.00 0.00 O ATOM 390 CB LYS A 30 -1.794 -6.308 -4.025 1.00 0.00 C ATOM 391 CG LYS A 30 -3.276 -6.124 -4.311 1.00 0.00 C ATOM 392 CD LYS A 30 -3.857 -7.429 -4.862 1.00 0.00 C ATOM 393 CE LYS A 30 -4.837 -7.113 -5.993 1.00 0.00 C ATOM 394 NZ LYS A 30 -6.009 -7.999 -5.740 1.00 0.00 N ATOM 0 H LYS A 30 -1.952 -4.051 -3.416 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.111 -6.508 -1.869 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.204 -5.682 -4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.503 -7.341 -4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.800 -5.837 -3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.421 -5.317 -5.030 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.056 -8.070 -5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.365 -7.977 -4.069 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.126 -6.062 -5.984 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.393 -7.313 -6.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.412 -8.309 -6.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.704 -8.830 -5.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.729 -7.477 -5.202 1.00 0.00 H new ATOM 408 N ASN A 31 0.215 -7.366 -1.670 1.00 0.00 N ATOM 409 CA ASN A 31 1.613 -7.716 -1.314 1.00 0.00 C ATOM 410 C ASN A 31 2.000 -9.024 -1.993 1.00 0.00 C ATOM 411 O ASN A 31 1.560 -10.085 -1.594 1.00 0.00 O ATOM 412 CB ASN A 31 1.604 -7.894 0.203 1.00 0.00 C ATOM 413 CG ASN A 31 3.038 -7.833 0.733 1.00 0.00 C ATOM 414 OD1 ASN A 31 3.941 -7.427 0.029 1.00 0.00 O ATOM 415 ND2 ASN A 31 3.287 -8.224 1.952 1.00 0.00 N ATOM 0 H ASN A 31 -0.482 -8.074 -1.439 1.00 0.00 H new ATOM 0 HA ASN A 31 2.327 -6.955 -1.631 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.000 -7.115 0.668 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.149 -8.849 0.465 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.240 -8.189 2.314 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.529 -8.565 2.543 1.00 0.00 H new ATOM 422 N HIS A 32 2.827 -8.973 -3.003 1.00 0.00 N ATOM 423 CA HIS A 32 3.226 -10.245 -3.664 1.00 0.00 C ATOM 424 C HIS A 32 4.473 -10.802 -2.965 1.00 0.00 C ATOM 425 O HIS A 32 5.079 -11.754 -3.418 1.00 0.00 O ATOM 426 CB HIS A 32 3.497 -9.887 -5.132 1.00 0.00 C ATOM 427 CG HIS A 32 2.318 -9.122 -5.682 1.00 0.00 C ATOM 428 ND1 HIS A 32 1.425 -9.676 -6.587 1.00 0.00 N ATOM 429 CD2 HIS A 32 1.853 -7.857 -5.425 1.00 0.00 C ATOM 430 CE1 HIS A 32 0.473 -8.755 -6.832 1.00 0.00 C ATOM 431 NE2 HIS A 32 0.688 -7.629 -6.151 1.00 0.00 N ATOM 0 H HIS A 32 3.236 -8.123 -3.391 1.00 0.00 H new ATOM 0 HA HIS A 32 2.458 -11.017 -3.604 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.404 -9.287 -5.211 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.662 -10.793 -5.715 1.00 0.00 H new ATOM 0 HD1 HIS A 32 1.479 -10.610 -6.993 1.00 0.00 H new ATOM 0 HD2 HIS A 32 2.320 -7.146 -4.760 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -0.362 -8.910 -7.499 1.00 0.00 H new ATOM 439 N ILE A 33 4.838 -10.232 -1.836 1.00 0.00 N ATOM 440 CA ILE A 33 6.011 -10.743 -1.081 1.00 0.00 C ATOM 441 C ILE A 33 5.609 -12.051 -0.422 1.00 0.00 C ATOM 442 O ILE A 33 6.238 -13.076 -0.590 1.00 0.00 O ATOM 443 CB ILE A 33 6.291 -9.679 -0.011 1.00 0.00 C ATOM 444 CG1 ILE A 33 6.717 -8.367 -0.673 1.00 0.00 C ATOM 445 CG2 ILE A 33 7.410 -10.167 0.909 1.00 0.00 C ATOM 446 CD1 ILE A 33 7.900 -8.636 -1.606 1.00 0.00 C ATOM 0 H ILE A 33 4.367 -9.433 -1.412 1.00 0.00 H new ATOM 0 HA ILE A 33 6.886 -10.920 -1.706 1.00 0.00 H new ATOM 0 HB ILE A 33 5.383 -9.509 0.568 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.885 -7.942 -1.234 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.996 -7.636 0.086 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.611 -9.413 1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.106 -11.096 1.391 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.313 -10.341 0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.208 -7.704 -2.081 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.732 -9.043 -1.031 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.604 -9.353 -2.372 1.00 0.00 H new ATOM 458 N ASP A 34 4.534 -12.012 0.306 1.00 0.00 N ATOM 459 CA ASP A 34 4.034 -13.238 0.966 1.00 0.00 C ATOM 460 C ASP A 34 2.581 -13.477 0.538 1.00 0.00 C ATOM 461 O ASP A 34 1.813 -14.118 1.227 1.00 0.00 O ATOM 462 CB ASP A 34 4.120 -12.955 2.467 1.00 0.00 C ATOM 463 CG ASP A 34 4.097 -14.276 3.238 1.00 0.00 C ATOM 464 OD1 ASP A 34 3.523 -15.224 2.731 1.00 0.00 O ATOM 465 OD2 ASP A 34 4.656 -14.316 4.322 1.00 0.00 O ATOM 0 H ASP A 34 3.977 -11.174 0.472 1.00 0.00 H new ATOM 0 HA ASP A 34 4.607 -14.126 0.701 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.034 -12.406 2.692 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.286 -12.326 2.778 1.00 0.00 H new ATOM 470 N GLN A 35 2.206 -12.953 -0.603 1.00 0.00 N ATOM 471 CA GLN A 35 0.810 -13.124 -1.107 1.00 0.00 C ATOM 472 C GLN A 35 -0.205 -12.588 -0.089 1.00 0.00 C ATOM 473 O GLN A 35 -0.642 -13.296 0.796 1.00 0.00 O ATOM 474 CB GLN A 35 0.632 -14.631 -1.303 1.00 0.00 C ATOM 475 CG GLN A 35 1.036 -15.009 -2.731 1.00 0.00 C ATOM 476 CD GLN A 35 2.185 -16.018 -2.685 1.00 0.00 C ATOM 477 OE1 GLN A 35 3.261 -15.710 -2.213 1.00 0.00 O ATOM 478 NE2 GLN A 35 2.002 -17.219 -3.161 1.00 0.00 N ATOM 0 H GLN A 35 2.816 -12.408 -1.213 1.00 0.00 H new ATOM 0 HA GLN A 35 0.644 -12.572 -2.032 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.243 -15.177 -0.584 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.405 -14.913 -1.120 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.184 -15.436 -3.261 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.341 -14.119 -3.282 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.099 -17.478 -3.557 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.762 -17.899 -3.137 1.00 0.00 H new ATOM 487 N THR A 36 -0.586 -11.340 -0.212 1.00 0.00 N ATOM 488 CA THR A 36 -1.580 -10.760 0.748 1.00 0.00 C ATOM 489 C THR A 36 -2.073 -9.394 0.255 1.00 0.00 C ATOM 490 O THR A 36 -1.619 -8.883 -0.747 1.00 0.00 O ATOM 491 CB THR A 36 -0.827 -10.602 2.076 1.00 0.00 C ATOM 492 OG1 THR A 36 0.569 -10.493 1.832 1.00 0.00 O ATOM 493 CG2 THR A 36 -1.098 -11.815 2.967 1.00 0.00 C ATOM 0 H THR A 36 -0.254 -10.699 -0.932 1.00 0.00 H new ATOM 0 HA THR A 36 -2.457 -11.399 0.850 1.00 0.00 H new ATOM 0 HB THR A 36 -1.174 -9.698 2.577 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.043 -10.391 2.684 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.562 -11.701 3.910 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.167 -11.890 3.164 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.758 -12.720 2.463 1.00 0.00 H new ATOM 501 N THR A 37 -2.999 -8.802 0.963 1.00 0.00 N ATOM 502 CA THR A 37 -3.530 -7.463 0.552 1.00 0.00 C ATOM 503 C THR A 37 -3.782 -6.610 1.801 1.00 0.00 C ATOM 504 O THR A 37 -4.379 -7.066 2.758 1.00 0.00 O ATOM 505 CB THR A 37 -4.849 -7.751 -0.177 1.00 0.00 C ATOM 506 OG1 THR A 37 -5.799 -8.257 0.750 1.00 0.00 O ATOM 507 CG2 THR A 37 -4.614 -8.783 -1.281 1.00 0.00 C ATOM 0 H THR A 37 -3.413 -9.188 1.812 1.00 0.00 H new ATOM 0 HA THR A 37 -2.834 -6.917 -0.086 1.00 0.00 H new ATOM 0 HB THR A 37 -5.226 -6.829 -0.621 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.478 -8.105 1.663 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.553 -8.985 -1.796 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.886 -8.395 -1.993 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.236 -9.706 -0.842 1.00 0.00 H new ATOM 515 N THR A 38 -3.332 -5.383 1.811 1.00 0.00 N ATOM 516 CA THR A 38 -3.553 -4.529 3.018 1.00 0.00 C ATOM 517 C THR A 38 -4.189 -3.187 2.635 1.00 0.00 C ATOM 518 O THR A 38 -4.144 -2.767 1.496 1.00 0.00 O ATOM 519 CB THR A 38 -2.158 -4.316 3.618 1.00 0.00 C ATOM 520 OG1 THR A 38 -2.282 -3.648 4.867 1.00 0.00 O ATOM 521 CG2 THR A 38 -1.303 -3.470 2.670 1.00 0.00 C ATOM 0 H THR A 38 -2.826 -4.938 1.045 1.00 0.00 H new ATOM 0 HA THR A 38 -4.236 -4.999 3.725 1.00 0.00 H new ATOM 0 HB THR A 38 -1.677 -5.284 3.762 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.392 -3.511 5.255 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.314 -3.324 3.104 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.207 -3.982 1.712 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.779 -2.501 2.517 1.00 0.00 H new ATOM 529 N TRP A 39 -4.777 -2.511 3.587 1.00 0.00 N ATOM 530 CA TRP A 39 -5.412 -1.198 3.295 1.00 0.00 C ATOM 531 C TRP A 39 -4.344 -0.105 3.190 1.00 0.00 C ATOM 532 O TRP A 39 -4.165 0.504 2.154 1.00 0.00 O ATOM 533 CB TRP A 39 -6.329 -0.922 4.489 1.00 0.00 C ATOM 534 CG TRP A 39 -7.300 -2.047 4.661 1.00 0.00 C ATOM 535 CD1 TRP A 39 -7.100 -3.135 5.442 1.00 0.00 C ATOM 536 CD2 TRP A 39 -8.616 -2.212 4.059 1.00 0.00 C ATOM 537 NE1 TRP A 39 -8.212 -3.953 5.360 1.00 0.00 N ATOM 538 CE2 TRP A 39 -9.173 -3.428 4.519 1.00 0.00 C ATOM 539 CE3 TRP A 39 -9.375 -1.432 3.167 1.00 0.00 C ATOM 540 CZ2 TRP A 39 -10.436 -3.854 4.112 1.00 0.00 C ATOM 541 CZ3 TRP A 39 -10.647 -1.861 2.753 1.00 0.00 C ATOM 542 CH2 TRP A 39 -11.175 -3.071 3.226 1.00 0.00 C ATOM 0 H TRP A 39 -4.843 -2.816 4.558 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.958 -1.210 2.351 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.734 -0.803 5.395 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.867 0.013 4.336 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.217 -3.332 6.032 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -8.310 -4.837 5.860 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -8.977 -0.498 2.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -10.840 -4.785 4.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -11.221 -1.256 2.067 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -12.153 -3.396 2.904 1.00 0.00 H new ATOM 553 N GLN A 40 -3.639 0.149 4.259 1.00 0.00 N ATOM 554 CA GLN A 40 -2.584 1.205 4.228 1.00 0.00 C ATOM 555 C GLN A 40 -1.633 0.970 3.051 1.00 0.00 C ATOM 556 O GLN A 40 -1.684 -0.049 2.393 1.00 0.00 O ATOM 557 CB GLN A 40 -1.840 1.059 5.556 1.00 0.00 C ATOM 558 CG GLN A 40 -1.232 -0.342 5.649 1.00 0.00 C ATOM 559 CD GLN A 40 -1.360 -0.859 7.083 1.00 0.00 C ATOM 560 OE1 GLN A 40 -0.394 -0.891 7.819 1.00 0.00 O ATOM 561 NE2 GLN A 40 -2.521 -1.270 7.515 1.00 0.00 N ATOM 0 H GLN A 40 -3.747 -0.329 5.154 1.00 0.00 H new ATOM 0 HA GLN A 40 -3.003 2.203 4.102 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.056 1.813 5.631 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.524 1.226 6.388 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.741 -1.017 4.961 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.183 -0.315 5.353 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.333 -1.244 6.898 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.616 -1.617 8.469 1.00 0.00 H new ATOM 570 N ASP A 41 -0.767 1.907 2.782 1.00 0.00 N ATOM 571 CA ASP A 41 0.183 1.735 1.646 1.00 0.00 C ATOM 572 C ASP A 41 1.592 1.422 2.172 1.00 0.00 C ATOM 573 O ASP A 41 2.029 2.008 3.142 1.00 0.00 O ATOM 574 CB ASP A 41 0.166 3.076 0.909 1.00 0.00 C ATOM 575 CG ASP A 41 0.734 4.174 1.814 1.00 0.00 C ATOM 576 OD1 ASP A 41 0.386 4.189 2.982 1.00 0.00 O ATOM 577 OD2 ASP A 41 1.507 4.978 1.320 1.00 0.00 O ATOM 0 H ASP A 41 -0.675 2.782 3.298 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.099 0.909 0.993 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.754 3.006 -0.006 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.853 3.326 0.614 1.00 0.00 H new ATOM 582 N PRO A 42 2.264 0.508 1.512 1.00 0.00 N ATOM 583 CA PRO A 42 3.637 0.136 1.932 1.00 0.00 C ATOM 584 C PRO A 42 4.620 1.260 1.592 1.00 0.00 C ATOM 585 O PRO A 42 5.550 1.075 0.832 1.00 0.00 O ATOM 586 CB PRO A 42 3.937 -1.117 1.114 1.00 0.00 C ATOM 587 CG PRO A 42 3.053 -1.014 -0.088 1.00 0.00 C ATOM 588 CD PRO A 42 1.824 -0.253 0.333 1.00 0.00 C ATOM 0 HA PRO A 42 3.727 -0.033 3.005 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.988 -1.160 0.829 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.724 -2.021 1.684 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.566 -0.499 -0.901 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.786 -2.005 -0.456 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.472 0.407 -0.460 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.002 -0.926 0.576 1.00 0.00 H new ATOM 596 N ARG A 43 4.423 2.424 2.148 1.00 0.00 N ATOM 597 CA ARG A 43 5.348 3.557 1.854 1.00 0.00 C ATOM 598 C ARG A 43 5.013 4.759 2.741 1.00 0.00 C ATOM 599 O ARG A 43 5.694 5.037 3.707 1.00 0.00 O ATOM 600 CB ARG A 43 5.105 3.892 0.383 1.00 0.00 C ATOM 601 CG ARG A 43 6.368 3.590 -0.426 1.00 0.00 C ATOM 602 CD ARG A 43 6.032 3.592 -1.918 1.00 0.00 C ATOM 603 NE ARG A 43 7.085 4.442 -2.547 1.00 0.00 N ATOM 604 CZ ARG A 43 8.320 4.009 -2.666 1.00 0.00 C ATOM 605 NH1 ARG A 43 8.662 2.820 -2.238 1.00 0.00 N ATOM 606 NH2 ARG A 43 9.218 4.776 -3.221 1.00 0.00 N ATOM 0 H ARG A 43 3.663 2.640 2.793 1.00 0.00 H new ATOM 0 HA ARG A 43 6.390 3.301 2.048 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.267 3.309 0.000 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.836 4.943 0.278 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.135 4.335 -0.214 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.776 2.622 -0.136 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.043 2.582 -2.327 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.037 3.998 -2.098 1.00 0.00 H new ATOM 0 HE ARG A 43 6.843 5.372 -2.889 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.965 2.214 -1.804 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.625 2.499 -2.338 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.959 5.703 -3.558 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.179 4.448 -3.318 1.00 0.00 H new ATOM 620 N LYS A 44 3.971 5.475 2.417 1.00 0.00 N ATOM 621 CA LYS A 44 3.595 6.660 3.241 1.00 0.00 C ATOM 622 C LYS A 44 3.370 6.246 4.697 1.00 0.00 C ATOM 623 O LYS A 44 3.589 7.016 5.611 1.00 0.00 O ATOM 624 CB LYS A 44 2.295 7.176 2.626 1.00 0.00 C ATOM 625 CG LYS A 44 1.994 8.575 3.167 1.00 0.00 C ATOM 626 CD LYS A 44 2.584 9.625 2.223 1.00 0.00 C ATOM 627 CE LYS A 44 3.889 10.164 2.810 1.00 0.00 C ATOM 628 NZ LYS A 44 3.911 11.606 2.436 1.00 0.00 N ATOM 0 H LYS A 44 3.364 5.291 1.618 1.00 0.00 H new ATOM 0 HA LYS A 44 4.375 7.421 3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.381 7.205 1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.474 6.499 2.863 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.917 8.717 3.259 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.417 8.689 4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.768 9.185 1.243 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.874 10.439 2.079 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.918 10.036 3.892 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.752 9.637 2.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.778 12.047 2.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.889 11.696 1.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.081 12.083 2.843 1.00 0.00 H new ATOM 642 N ALA A 45 2.936 5.037 4.922 1.00 0.00 N ATOM 643 CA ALA A 45 2.698 4.581 6.322 1.00 0.00 C ATOM 644 C ALA A 45 3.717 3.510 6.710 1.00 0.00 C ATOM 645 O ALA A 45 4.022 3.322 7.871 1.00 0.00 O ATOM 646 CB ALA A 45 1.283 4.001 6.316 1.00 0.00 C ATOM 0 H ALA A 45 2.736 4.346 4.199 1.00 0.00 H new ATOM 0 HA ALA A 45 2.802 5.392 7.043 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.032 3.643 7.314 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.574 4.774 6.020 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.232 3.172 5.610 1.00 0.00 H new ATOM 652 N MET A 46 4.244 2.814 5.744 1.00 0.00 N ATOM 653 CA MET A 46 5.250 1.749 6.038 1.00 0.00 C ATOM 654 C MET A 46 4.686 0.741 7.052 1.00 0.00 C ATOM 655 O MET A 46 4.106 -0.260 6.680 1.00 0.00 O ATOM 656 CB MET A 46 6.459 2.489 6.613 1.00 0.00 C ATOM 657 CG MET A 46 7.283 3.084 5.469 1.00 0.00 C ATOM 658 SD MET A 46 8.718 2.029 5.147 1.00 0.00 S ATOM 659 CE MET A 46 9.622 3.190 4.095 1.00 0.00 C ATOM 0 H MET A 46 4.022 2.935 4.756 1.00 0.00 H new ATOM 0 HA MET A 46 5.515 1.176 5.149 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.129 3.279 7.287 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.072 1.805 7.200 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.671 3.168 4.571 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.609 4.091 5.727 1.00 0.00 H new ATOM 0 HE1 MET A 46 10.560 2.736 3.775 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.019 3.433 3.220 1.00 0.00 H new ATOM 0 HE3 MET A 46 9.832 4.101 4.655 1.00 0.00 H new ATOM 669 N LEU A 47 4.846 0.993 8.325 1.00 0.00 N ATOM 670 CA LEU A 47 4.315 0.043 9.344 1.00 0.00 C ATOM 671 C LEU A 47 3.688 0.815 10.508 1.00 0.00 C ATOM 672 O LEU A 47 4.152 0.750 11.630 1.00 0.00 O ATOM 673 CB LEU A 47 5.532 -0.749 9.819 1.00 0.00 C ATOM 674 CG LEU A 47 5.100 -2.162 10.213 1.00 0.00 C ATOM 675 CD1 LEU A 47 6.047 -3.182 9.579 1.00 0.00 C ATOM 676 CD2 LEU A 47 5.146 -2.303 11.736 1.00 0.00 C ATOM 0 H LEU A 47 5.320 1.814 8.701 1.00 0.00 H new ATOM 0 HA LEU A 47 3.539 -0.607 8.939 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.281 -0.794 9.028 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.995 -0.249 10.669 1.00 0.00 H new ATOM 0 HG LEU A 47 4.084 -2.342 9.861 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.738 -4.189 9.860 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.015 -3.083 8.494 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.063 -3.002 9.930 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.838 -3.310 12.018 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.162 -2.122 12.088 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.471 -1.577 12.189 1.00 0.00 H new ATOM 688 N SER A 48 2.637 1.546 10.251 1.00 0.00 N ATOM 689 CA SER A 48 1.983 2.322 11.343 1.00 0.00 C ATOM 690 C SER A 48 3.013 3.202 12.056 1.00 0.00 C ATOM 691 O SER A 48 3.286 3.029 13.227 1.00 0.00 O ATOM 692 CB SER A 48 1.423 1.268 12.299 1.00 0.00 C ATOM 693 OG SER A 48 0.458 1.867 13.151 1.00 0.00 O ATOM 0 H SER A 48 2.203 1.639 9.332 1.00 0.00 H new ATOM 0 HA SER A 48 1.204 2.986 10.968 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.969 0.454 11.734 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.228 0.835 12.892 1.00 0.00 H new ATOM 0 HG SER A 48 0.098 1.192 13.763 1.00 0.00 H new ATOM 699 N GLN A 49 3.585 4.144 11.359 1.00 0.00 N ATOM 700 CA GLN A 49 4.598 5.034 11.997 1.00 0.00 C ATOM 701 C GLN A 49 4.126 6.491 11.952 1.00 0.00 C ATOM 702 O GLN A 49 4.295 7.177 10.963 1.00 0.00 O ATOM 703 CB GLN A 49 5.866 4.855 11.162 1.00 0.00 C ATOM 704 CG GLN A 49 6.954 5.798 11.678 1.00 0.00 C ATOM 705 CD GLN A 49 8.299 5.413 11.057 1.00 0.00 C ATOM 706 OE1 GLN A 49 9.213 5.020 11.755 1.00 0.00 O ATOM 707 NE2 GLN A 49 8.459 5.509 9.766 1.00 0.00 N ATOM 0 H GLN A 49 3.396 4.337 10.375 1.00 0.00 H new ATOM 0 HA GLN A 49 4.763 4.786 13.046 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.209 3.822 11.219 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.656 5.064 10.113 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.706 6.829 11.425 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.014 5.742 12.765 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.692 5.839 9.180 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.351 5.254 9.342 1.00 0.00 H new ATOM 716 N MET A 50 3.536 6.966 13.014 1.00 0.00 N ATOM 717 CA MET A 50 3.054 8.377 13.030 1.00 0.00 C ATOM 718 C MET A 50 2.516 8.737 14.418 1.00 0.00 C ATOM 719 O MET A 50 2.408 9.919 14.701 1.00 0.00 O ATOM 720 CB MET A 50 1.931 8.423 11.993 1.00 0.00 C ATOM 721 CG MET A 50 1.396 9.853 11.883 1.00 0.00 C ATOM 722 SD MET A 50 -0.023 10.052 12.989 1.00 0.00 S ATOM 723 CE MET A 50 -1.247 9.236 11.934 1.00 0.00 C ATOM 724 OXT MET A 50 2.224 7.825 15.173 1.00 0.00 O ATOM 0 H MET A 50 3.367 6.439 13.871 1.00 0.00 H new ATOM 0 HA MET A 50 3.849 9.087 12.803 1.00 0.00 H new ATOM 0 HB2 MET A 50 2.302 8.087 11.025 1.00 0.00 H new ATOM 0 HB3 MET A 50 1.128 7.744 12.280 1.00 0.00 H new ATOM 0 HG2 MET A 50 2.178 10.566 12.145 1.00 0.00 H new ATOM 0 HG3 MET A 50 1.102 10.065 10.855 1.00 0.00 H new ATOM 0 HE1 MET A 50 -2.045 9.938 11.692 1.00 0.00 H new ATOM 0 HE2 MET A 50 -0.768 8.900 11.014 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.666 8.378 12.459 1.00 0.00 H new TER 734 MET A 50 ATOM 735 N GLY P 51 -12.906 -9.230 11.178 1.00 0.00 N ATOM 736 CA GLY P 51 -13.069 -7.800 11.567 1.00 0.00 C ATOM 737 C GLY P 51 -12.894 -6.912 10.335 1.00 0.00 C ATOM 738 O GLY P 51 -11.987 -6.106 10.263 1.00 0.00 O ATOM 0 HA2 GLY P 51 -14.054 -7.642 12.005 1.00 0.00 H new ATOM 0 HA3 GLY P 51 -12.335 -7.533 12.328 1.00 0.00 H new ATOM 744 N THR P 52 -13.754 -7.051 9.363 1.00 0.00 N ATOM 745 CA THR P 52 -13.634 -6.213 8.135 1.00 0.00 C ATOM 746 C THR P 52 -12.221 -6.328 7.549 1.00 0.00 C ATOM 747 O THR P 52 -11.536 -5.337 7.394 1.00 0.00 O ATOM 748 CB THR P 52 -13.906 -4.782 8.604 1.00 0.00 C ATOM 749 OG1 THR P 52 -14.913 -4.797 9.605 1.00 0.00 O ATOM 750 CG2 THR P 52 -14.373 -3.935 7.420 1.00 0.00 C ATOM 0 H THR P 52 -14.534 -7.708 9.366 1.00 0.00 H new ATOM 0 HA THR P 52 -14.327 -6.525 7.353 1.00 0.00 H new ATOM 0 HB THR P 52 -12.992 -4.354 9.015 1.00 0.00 H new ATOM 0 HG1 THR P 52 -15.087 -3.881 9.908 1.00 0.00 H new ATOM 0 HG21 THR P 52 -14.566 -2.916 7.755 1.00 0.00 H new ATOM 0 HG22 THR P 52 -13.599 -3.924 6.653 1.00 0.00 H new ATOM 0 HG23 THR P 52 -15.287 -4.361 7.006 1.00 0.00 H new ATOM 758 N PRO P 53 -11.826 -7.540 7.240 1.00 0.00 N ATOM 759 CA PRO P 53 -10.477 -7.771 6.667 1.00 0.00 C ATOM 760 C PRO P 53 -10.419 -7.269 5.218 1.00 0.00 C ATOM 761 O PRO P 53 -11.427 -6.889 4.657 1.00 0.00 O ATOM 762 CB PRO P 53 -10.318 -9.288 6.722 1.00 0.00 C ATOM 763 CG PRO P 53 -11.713 -9.824 6.719 1.00 0.00 C ATOM 764 CD PRO P 53 -12.583 -8.793 7.392 1.00 0.00 C ATOM 0 HA PRO P 53 -9.688 -7.245 7.204 1.00 0.00 H new ATOM 0 HB2 PRO P 53 -9.752 -9.657 5.867 1.00 0.00 H new ATOM 0 HB3 PRO P 53 -9.779 -9.596 7.618 1.00 0.00 H new ATOM 0 HG2 PRO P 53 -12.053 -10.009 5.700 1.00 0.00 H new ATOM 0 HG3 PRO P 53 -11.762 -10.775 7.249 1.00 0.00 H new ATOM 0 HD2 PRO P 53 -13.563 -8.728 6.920 1.00 0.00 H new ATOM 0 HD3 PRO P 53 -12.750 -9.034 8.442 1.00 0.00 H new ATOM 772 N PRO P 54 -9.235 -7.281 4.655 1.00 0.00 N ATOM 773 CA PRO P 54 -9.056 -6.818 3.255 1.00 0.00 C ATOM 774 C PRO P 54 -9.719 -7.788 2.268 1.00 0.00 C ATOM 775 O PRO P 54 -10.163 -8.852 2.652 1.00 0.00 O ATOM 776 CB PRO P 54 -7.541 -6.801 3.072 1.00 0.00 C ATOM 777 CG PRO P 54 -7.027 -7.783 4.075 1.00 0.00 C ATOM 778 CD PRO P 54 -7.963 -7.722 5.251 1.00 0.00 C ATOM 0 HA PRO P 54 -9.514 -5.847 3.068 1.00 0.00 H new ATOM 0 HB2 PRO P 54 -7.261 -7.087 2.058 1.00 0.00 H new ATOM 0 HB3 PRO P 54 -7.132 -5.806 3.247 1.00 0.00 H new ATOM 0 HG2 PRO P 54 -6.998 -8.788 3.654 1.00 0.00 H new ATOM 0 HG3 PRO P 54 -6.009 -7.534 4.376 1.00 0.00 H new ATOM 0 HD2 PRO P 54 -8.062 -8.693 5.736 1.00 0.00 H new ATOM 0 HD3 PRO P 54 -7.611 -7.022 6.009 1.00 0.00 H new ATOM 786 N PRO P 55 -9.765 -7.384 1.021 1.00 0.00 N ATOM 787 CA PRO P 55 -10.384 -8.230 -0.032 1.00 0.00 C ATOM 788 C PRO P 55 -9.515 -9.460 -0.321 1.00 0.00 C ATOM 789 O PRO P 55 -8.421 -9.577 0.196 1.00 0.00 O ATOM 790 CB PRO P 55 -10.443 -7.303 -1.245 1.00 0.00 C ATOM 791 CG PRO P 55 -9.374 -6.288 -1.014 1.00 0.00 C ATOM 792 CD PRO P 55 -9.251 -6.118 0.475 1.00 0.00 C ATOM 0 HA PRO P 55 -11.363 -8.617 0.252 1.00 0.00 H new ATOM 0 HB2 PRO P 55 -10.270 -7.853 -2.170 1.00 0.00 H new ATOM 0 HB3 PRO P 55 -11.422 -6.831 -1.333 1.00 0.00 H new ATOM 0 HG2 PRO P 55 -8.429 -6.617 -1.445 1.00 0.00 H new ATOM 0 HG3 PRO P 55 -9.629 -5.342 -1.491 1.00 0.00 H new ATOM 0 HD2 PRO P 55 -8.217 -5.945 0.773 1.00 0.00 H new ATOM 0 HD3 PRO P 55 -9.831 -5.266 0.829 1.00 0.00 H new ATOM 800 N PRO P 56 -10.030 -10.343 -1.145 1.00 0.00 N ATOM 801 CA PRO P 56 -9.277 -11.572 -1.498 1.00 0.00 C ATOM 802 C PRO P 56 -8.056 -11.215 -2.346 1.00 0.00 C ATOM 803 O PRO P 56 -8.034 -10.211 -3.029 1.00 0.00 O ATOM 804 CB PRO P 56 -10.286 -12.397 -2.296 1.00 0.00 C ATOM 805 CG PRO P 56 -11.252 -11.393 -2.838 1.00 0.00 C ATOM 806 CD PRO P 56 -11.337 -10.289 -1.820 1.00 0.00 C ATOM 0 HA PRO P 56 -8.896 -12.111 -0.631 1.00 0.00 H new ATOM 0 HB2 PRO P 56 -9.799 -12.951 -3.098 1.00 0.00 H new ATOM 0 HB3 PRO P 56 -10.788 -13.129 -1.663 1.00 0.00 H new ATOM 0 HG2 PRO P 56 -10.913 -11.008 -3.800 1.00 0.00 H new ATOM 0 HG3 PRO P 56 -12.230 -11.845 -3.002 1.00 0.00 H new ATOM 0 HD2 PRO P 56 -11.506 -9.321 -2.291 1.00 0.00 H new ATOM 0 HD3 PRO P 56 -12.157 -10.450 -1.120 1.00 0.00 H new ATOM 814 N TYR P 57 -7.034 -12.022 -2.299 1.00 0.00 N ATOM 815 CA TYR P 57 -5.810 -11.719 -3.092 1.00 0.00 C ATOM 816 C TYR P 57 -5.775 -12.553 -4.374 1.00 0.00 C ATOM 817 O TYR P 57 -6.392 -13.594 -4.470 1.00 0.00 O ATOM 818 CB TYR P 57 -4.649 -12.095 -2.176 1.00 0.00 C ATOM 819 CG TYR P 57 -3.346 -11.800 -2.875 1.00 0.00 C ATOM 820 CD1 TYR P 57 -3.121 -10.536 -3.433 1.00 0.00 C ATOM 821 CD2 TYR P 57 -2.363 -12.790 -2.962 1.00 0.00 C ATOM 822 CE1 TYR P 57 -1.910 -10.262 -4.077 1.00 0.00 C ATOM 823 CE2 TYR P 57 -1.154 -12.516 -3.608 1.00 0.00 C ATOM 824 CZ TYR P 57 -0.926 -11.254 -4.164 1.00 0.00 C ATOM 825 OH TYR P 57 0.268 -10.989 -4.795 1.00 0.00 O ATOM 0 H TYR P 57 -6.993 -12.878 -1.746 1.00 0.00 H new ATOM 0 HA TYR P 57 -5.770 -10.675 -3.401 1.00 0.00 H new ATOM 0 HB2 TYR P 57 -4.710 -11.533 -1.244 1.00 0.00 H new ATOM 0 HB3 TYR P 57 -4.704 -13.152 -1.916 1.00 0.00 H new ATOM 0 HD1 TYR P 57 -3.882 -9.773 -3.366 1.00 0.00 H new ATOM 0 HD2 TYR P 57 -2.537 -13.765 -2.531 1.00 0.00 H new ATOM 0 HE1 TYR P 57 -1.734 -9.287 -4.506 1.00 0.00 H new ATOM 0 HE2 TYR P 57 -0.395 -13.281 -3.678 1.00 0.00 H new ATOM 0 HH TYR P 57 0.103 -10.805 -5.743 1.00 0.00 H new ATOM 835 N THR P 58 -5.050 -12.100 -5.361 1.00 0.00 N ATOM 836 CA THR P 58 -4.963 -12.858 -6.640 1.00 0.00 C ATOM 837 C THR P 58 -3.746 -12.392 -7.443 1.00 0.00 C ATOM 838 O THR P 58 -3.084 -11.437 -7.088 1.00 0.00 O ATOM 839 CB THR P 58 -6.256 -12.530 -7.386 1.00 0.00 C ATOM 840 OG1 THR P 58 -7.365 -12.730 -6.520 1.00 0.00 O ATOM 841 CG2 THR P 58 -6.386 -13.440 -8.607 1.00 0.00 C ATOM 0 H THR P 58 -4.512 -11.234 -5.335 1.00 0.00 H new ATOM 0 HA THR P 58 -4.849 -13.930 -6.480 1.00 0.00 H new ATOM 0 HB THR P 58 -6.235 -11.490 -7.712 1.00 0.00 H new ATOM 0 HG1 THR P 58 -7.222 -13.540 -5.987 1.00 0.00 H new ATOM 0 HG21 THR P 58 -7.308 -13.206 -9.139 1.00 0.00 H new ATOM 0 HG22 THR P 58 -5.535 -13.283 -9.270 1.00 0.00 H new ATOM 0 HG23 THR P 58 -6.408 -14.481 -8.284 1.00 0.00 H new ATOM 849 N VAL P 59 -3.445 -13.057 -8.526 1.00 0.00 N ATOM 850 CA VAL P 59 -2.270 -12.649 -9.349 1.00 0.00 C ATOM 851 C VAL P 59 -2.716 -12.315 -10.775 1.00 0.00 C ATOM 852 O VAL P 59 -2.202 -12.852 -11.737 1.00 0.00 O ATOM 853 CB VAL P 59 -1.343 -13.863 -9.346 1.00 0.00 C ATOM 854 CG1 VAL P 59 -2.070 -15.063 -9.956 1.00 0.00 C ATOM 855 CG2 VAL P 59 -0.092 -13.551 -10.169 1.00 0.00 C ATOM 0 H VAL P 59 -3.961 -13.864 -8.876 1.00 0.00 H new ATOM 0 HA VAL P 59 -1.777 -11.761 -8.954 1.00 0.00 H new ATOM 0 HB VAL P 59 -1.055 -14.097 -8.321 1.00 0.00 H new ATOM 0 HG11 VAL P 59 -1.408 -15.929 -9.954 1.00 0.00 H new ATOM 0 HG12 VAL P 59 -2.961 -15.286 -9.369 1.00 0.00 H new ATOM 0 HG13 VAL P 59 -2.360 -14.830 -10.981 1.00 0.00 H new ATOM 0 HG21 VAL P 59 0.570 -14.417 -10.167 1.00 0.00 H new ATOM 0 HG22 VAL P 59 -0.380 -13.316 -11.194 1.00 0.00 H new ATOM 0 HG23 VAL P 59 0.427 -12.697 -9.733 1.00 0.00 H new ATOM 865 N GLY P 60 -3.667 -11.434 -10.920 1.00 0.00 N ATOM 866 CA GLY P 60 -4.143 -11.068 -12.283 1.00 0.00 C ATOM 867 C GLY P 60 -5.576 -10.535 -12.197 1.00 0.00 C ATOM 868 O GLY P 60 -6.321 -11.028 -11.367 1.00 0.00 O ATOM 869 OXT GLY P 60 -5.902 -9.644 -12.963 1.00 0.00 O ATOM 0 H GLY P 60 -4.135 -10.952 -10.153 1.00 0.00 H new ATOM 0 HA2 GLY P 60 -3.488 -10.313 -12.718 1.00 0.00 H new ATOM 0 HA3 GLY P 60 -4.106 -11.938 -12.939 1.00 0.00 H new TER 873 GLY P 60