USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=17 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 :FLIP amide:sc= -3.33 F(o=-7.4!,f=-4) USER MOD Set 1.2: A 36 THR OG1 : rot 180:sc= -0.643 USER MOD Set 2.1: A 32 HIS : no HE2:sc= -4.9! C(o=-6.9!,f=-17!) USER MOD Set 2.2: P 57 TYR OH : rot -103:sc= -2.04! USER MOD Set 3.1: A 28 TYR OH : rot 180:sc= 0.213 USER MOD Set 3.2: A 30 LYS NZ :NH3+ -134:sc= 0.962 (180deg=0.0266) USER MOD Set 4.1: A 23 SER OG : rot -170:sc= 0 USER MOD Set 4.2: A 26 GLN : amide:sc= -2.91 X(o=-2.9,f=-2.5) USER MOD Single : A 19 MET CE :methyl -149:sc= -6.32! (180deg=-11.9!) USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= -1.72 (180deg=-2.5!) USER MOD Single : A 22 THR OG1 : rot -141:sc= -1.35 USER MOD Single : A 24 SER OG : rot 180:sc=-0.00865 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot -144:sc= -0.863 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.548) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0151 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : P 52 THR OG1 : rot 49:sc= 0.0849 USER MOD Single : P 58 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 5 -1.807 14.745 3.526 1.00 0.00 N ATOM 2 CA PHE A 5 -0.732 13.949 2.867 1.00 0.00 C ATOM 3 C PHE A 5 -0.924 12.458 3.159 1.00 0.00 C ATOM 4 O PHE A 5 -0.702 11.997 4.261 1.00 0.00 O ATOM 5 CB PHE A 5 0.571 14.453 3.487 1.00 0.00 C ATOM 6 CG PHE A 5 1.731 14.085 2.592 1.00 0.00 C ATOM 7 CD1 PHE A 5 2.087 14.925 1.529 1.00 0.00 C ATOM 8 CD2 PHE A 5 2.449 12.907 2.825 1.00 0.00 C ATOM 9 CE1 PHE A 5 3.162 14.585 0.699 1.00 0.00 C ATOM 10 CE2 PHE A 5 3.525 12.567 1.995 1.00 0.00 C ATOM 11 CZ PHE A 5 3.880 13.406 0.933 1.00 0.00 C ATOM 0 HA PHE A 5 -0.738 14.064 1.783 1.00 0.00 H new ATOM 0 HB2 PHE A 5 0.529 15.534 3.619 1.00 0.00 H new ATOM 0 HB3 PHE A 5 0.708 14.016 4.476 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.533 15.834 1.350 1.00 0.00 H new ATOM 0 HD2 PHE A 5 2.174 12.260 3.645 1.00 0.00 H new ATOM 0 HE1 PHE A 5 3.437 15.232 -0.121 1.00 0.00 H new ATOM 0 HE2 PHE A 5 4.080 11.658 2.175 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.709 13.144 0.293 1.00 0.00 H new ATOM 21 N GLU A 6 -1.336 11.701 2.179 1.00 0.00 N ATOM 22 CA GLU A 6 -1.542 10.240 2.401 1.00 0.00 C ATOM 23 C GLU A 6 -1.194 9.458 1.131 1.00 0.00 C ATOM 24 O GLU A 6 -2.052 9.138 0.333 1.00 0.00 O ATOM 25 CB GLU A 6 -3.029 10.095 2.729 1.00 0.00 C ATOM 26 CG GLU A 6 -3.189 9.628 4.177 1.00 0.00 C ATOM 27 CD GLU A 6 -4.600 9.072 4.382 1.00 0.00 C ATOM 28 OE1 GLU A 6 -4.934 8.102 3.722 1.00 0.00 O ATOM 29 OE2 GLU A 6 -5.321 9.627 5.195 1.00 0.00 O ATOM 0 H GLU A 6 -1.539 12.030 1.235 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.909 9.850 3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.539 11.048 2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.494 9.379 2.051 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -2.448 8.862 4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.011 10.459 4.860 1.00 0.00 H new ATOM 36 N ILE A 7 0.059 9.148 0.939 1.00 0.00 N ATOM 37 CA ILE A 7 0.462 8.385 -0.280 1.00 0.00 C ATOM 38 C ILE A 7 -0.026 9.121 -1.536 1.00 0.00 C ATOM 39 O ILE A 7 -0.798 8.584 -2.304 1.00 0.00 O ATOM 40 CB ILE A 7 -0.225 7.018 -0.161 1.00 0.00 C ATOM 41 CG1 ILE A 7 -0.002 6.434 1.238 1.00 0.00 C ATOM 42 CG2 ILE A 7 0.361 6.061 -1.201 1.00 0.00 C ATOM 43 CD1 ILE A 7 1.498 6.284 1.501 1.00 0.00 C ATOM 0 H ILE A 7 0.822 9.389 1.572 1.00 0.00 H new ATOM 0 HA ILE A 7 1.544 8.281 -0.359 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.294 7.145 -0.332 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.450 7.084 1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.494 5.465 1.321 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.126 5.090 -1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.197 6.464 -2.200 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.431 5.946 -1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.653 5.868 2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.933 5.616 0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.978 7.260 1.437 1.00 0.00 H new ATOM 55 N PRO A 8 0.439 10.336 -1.700 1.00 0.00 N ATOM 56 CA PRO A 8 0.032 11.150 -2.873 1.00 0.00 C ATOM 57 C PRO A 8 0.675 10.609 -4.159 1.00 0.00 C ATOM 58 O PRO A 8 0.111 9.771 -4.833 1.00 0.00 O ATOM 59 CB PRO A 8 0.541 12.549 -2.536 1.00 0.00 C ATOM 60 CG PRO A 8 1.669 12.331 -1.577 1.00 0.00 C ATOM 61 CD PRO A 8 1.374 11.060 -0.825 1.00 0.00 C ATOM 0 HA PRO A 8 -1.043 11.133 -3.055 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.879 13.072 -3.431 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.245 13.158 -2.089 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.617 12.252 -2.109 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.758 13.173 -0.890 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.281 10.483 -0.646 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.930 11.267 0.149 1.00 0.00 H new ATOM 69 N ASP A 9 1.846 11.075 -4.511 1.00 0.00 N ATOM 70 CA ASP A 9 2.498 10.574 -5.754 1.00 0.00 C ATOM 71 C ASP A 9 4.023 10.662 -5.634 1.00 0.00 C ATOM 72 O ASP A 9 4.733 10.630 -6.618 1.00 0.00 O ATOM 73 CB ASP A 9 1.995 11.498 -6.863 1.00 0.00 C ATOM 74 CG ASP A 9 1.751 10.682 -8.135 1.00 0.00 C ATOM 75 OD1 ASP A 9 2.693 10.068 -8.609 1.00 0.00 O ATOM 76 OD2 ASP A 9 0.629 10.686 -8.612 1.00 0.00 O ATOM 0 H ASP A 9 2.375 11.777 -3.993 1.00 0.00 H new ATOM 0 HA ASP A 9 2.258 9.529 -5.950 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.074 11.990 -6.551 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.726 12.283 -7.056 1.00 0.00 H new ATOM 81 N ASP A 10 4.534 10.768 -4.437 1.00 0.00 N ATOM 82 CA ASP A 10 6.013 10.852 -4.267 1.00 0.00 C ATOM 83 C ASP A 10 6.663 9.548 -4.737 1.00 0.00 C ATOM 84 O ASP A 10 7.136 9.448 -5.851 1.00 0.00 O ATOM 85 CB ASP A 10 6.231 11.056 -2.767 1.00 0.00 C ATOM 86 CG ASP A 10 6.575 12.523 -2.497 1.00 0.00 C ATOM 87 OD1 ASP A 10 6.131 13.365 -3.259 1.00 0.00 O ATOM 88 OD2 ASP A 10 7.277 12.778 -1.532 1.00 0.00 O ATOM 0 H ASP A 10 3.994 10.800 -3.573 1.00 0.00 H new ATOM 0 HA ASP A 10 6.456 11.659 -4.850 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.333 10.774 -2.216 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.036 10.412 -2.415 1.00 0.00 H new ATOM 93 N VAL A 11 6.682 8.546 -3.901 1.00 0.00 N ATOM 94 CA VAL A 11 7.292 7.252 -4.307 1.00 0.00 C ATOM 95 C VAL A 11 6.211 6.313 -4.855 1.00 0.00 C ATOM 96 O VAL A 11 5.116 6.265 -4.333 1.00 0.00 O ATOM 97 CB VAL A 11 7.910 6.675 -3.029 1.00 0.00 C ATOM 98 CG1 VAL A 11 9.077 7.558 -2.583 1.00 0.00 C ATOM 99 CG2 VAL A 11 6.866 6.606 -1.909 1.00 0.00 C ATOM 0 H VAL A 11 6.301 8.569 -2.955 1.00 0.00 H new ATOM 0 HA VAL A 11 8.038 7.376 -5.092 1.00 0.00 H new ATOM 0 HB VAL A 11 8.267 5.667 -3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.517 7.148 -1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.831 7.589 -3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.715 8.568 -2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.324 6.194 -1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.491 7.608 -1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.040 5.967 -2.221 1.00 0.00 H new ATOM 109 N PRO A 12 6.547 5.590 -5.895 1.00 0.00 N ATOM 110 CA PRO A 12 5.575 4.649 -6.495 1.00 0.00 C ATOM 111 C PRO A 12 5.428 3.414 -5.605 1.00 0.00 C ATOM 112 O PRO A 12 5.966 3.356 -4.516 1.00 0.00 O ATOM 113 CB PRO A 12 6.206 4.279 -7.832 1.00 0.00 C ATOM 114 CG PRO A 12 7.674 4.495 -7.641 1.00 0.00 C ATOM 115 CD PRO A 12 7.837 5.577 -6.602 1.00 0.00 C ATOM 0 HA PRO A 12 4.577 5.073 -6.608 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.991 3.244 -8.097 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.817 4.902 -8.638 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.159 3.574 -7.316 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.144 4.789 -8.579 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.662 5.358 -5.924 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.050 6.542 -7.061 1.00 0.00 H new ATOM 123 N LEU A 13 4.715 2.424 -6.059 1.00 0.00 N ATOM 124 CA LEU A 13 4.549 1.192 -5.237 1.00 0.00 C ATOM 125 C LEU A 13 5.878 0.427 -5.185 1.00 0.00 C ATOM 126 O LEU A 13 6.595 0.381 -6.164 1.00 0.00 O ATOM 127 CB LEU A 13 3.481 0.376 -5.965 1.00 0.00 C ATOM 128 CG LEU A 13 2.094 0.810 -5.488 1.00 0.00 C ATOM 129 CD1 LEU A 13 1.022 0.087 -6.305 1.00 0.00 C ATOM 130 CD2 LEU A 13 1.926 0.456 -4.010 1.00 0.00 C ATOM 0 H LEU A 13 4.240 2.413 -6.962 1.00 0.00 H new ATOM 0 HA LEU A 13 4.260 1.405 -4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.569 0.521 -7.042 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.627 -0.687 -5.773 1.00 0.00 H new ATOM 0 HG LEU A 13 1.989 1.887 -5.619 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.034 0.397 -5.964 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.137 0.338 -7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.130 -0.990 -6.174 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.937 0.766 -3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.033 -0.621 -3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.688 0.970 -3.424 1.00 0.00 H new ATOM 142 N PRO A 14 6.174 -0.147 -4.045 1.00 0.00 N ATOM 143 CA PRO A 14 7.438 -0.902 -3.893 1.00 0.00 C ATOM 144 C PRO A 14 7.325 -2.294 -4.529 1.00 0.00 C ATOM 145 O PRO A 14 6.276 -2.695 -4.991 1.00 0.00 O ATOM 146 CB PRO A 14 7.631 -0.982 -2.382 1.00 0.00 C ATOM 147 CG PRO A 14 6.262 -0.833 -1.789 1.00 0.00 C ATOM 148 CD PRO A 14 5.376 -0.152 -2.808 1.00 0.00 C ATOM 0 HA PRO A 14 8.283 -0.428 -4.392 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.081 -1.932 -2.095 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.298 -0.195 -2.030 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.855 -1.809 -1.523 1.00 0.00 H new ATOM 0 HG3 PRO A 14 6.307 -0.246 -0.872 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.438 -0.692 -2.943 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.119 0.861 -2.497 1.00 0.00 H new ATOM 156 N ALA A 15 8.408 -3.025 -4.573 1.00 0.00 N ATOM 157 CA ALA A 15 8.375 -4.383 -5.194 1.00 0.00 C ATOM 158 C ALA A 15 7.488 -5.326 -4.378 1.00 0.00 C ATOM 159 O ALA A 15 7.467 -5.276 -3.165 1.00 0.00 O ATOM 160 CB ALA A 15 9.826 -4.863 -5.174 1.00 0.00 C ATOM 0 H ALA A 15 9.316 -2.740 -4.205 1.00 0.00 H new ATOM 0 HA ALA A 15 7.964 -4.361 -6.203 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.886 -5.858 -5.615 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.445 -4.174 -5.748 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.183 -4.900 -4.145 1.00 0.00 H new ATOM 166 N GLY A 16 6.751 -6.183 -5.034 1.00 0.00 N ATOM 167 CA GLY A 16 5.867 -7.117 -4.296 1.00 0.00 C ATOM 168 C GLY A 16 4.812 -6.306 -3.554 1.00 0.00 C ATOM 169 O GLY A 16 4.317 -6.704 -2.519 1.00 0.00 O ATOM 0 H GLY A 16 6.727 -6.273 -6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.392 -7.813 -4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.449 -7.713 -3.593 1.00 0.00 H new ATOM 173 N TRP A 17 4.474 -5.162 -4.075 1.00 0.00 N ATOM 174 CA TRP A 17 3.462 -4.312 -3.400 1.00 0.00 C ATOM 175 C TRP A 17 2.593 -3.588 -4.430 1.00 0.00 C ATOM 176 O TRP A 17 2.854 -2.458 -4.785 1.00 0.00 O ATOM 177 CB TRP A 17 4.281 -3.302 -2.602 1.00 0.00 C ATOM 178 CG TRP A 17 4.678 -3.896 -1.291 1.00 0.00 C ATOM 179 CD1 TRP A 17 5.944 -4.175 -0.909 1.00 0.00 C ATOM 180 CD2 TRP A 17 3.823 -4.280 -0.185 1.00 0.00 C ATOM 181 NE1 TRP A 17 5.917 -4.701 0.372 1.00 0.00 N ATOM 182 CE2 TRP A 17 4.627 -4.786 0.860 1.00 0.00 C ATOM 183 CE3 TRP A 17 2.439 -4.234 0.003 1.00 0.00 C ATOM 184 CZ2 TRP A 17 4.066 -5.231 2.059 1.00 0.00 C ATOM 185 CZ3 TRP A 17 1.866 -4.678 1.200 1.00 0.00 C ATOM 186 CH2 TRP A 17 2.677 -5.177 2.230 1.00 0.00 C ATOM 0 H TRP A 17 4.856 -4.780 -4.940 1.00 0.00 H new ATOM 0 HA TRP A 17 2.788 -4.895 -2.773 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.169 -3.014 -3.165 1.00 0.00 H new ATOM 0 HB3 TRP A 17 3.699 -2.395 -2.439 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.831 -4.014 -1.504 1.00 0.00 H new ATOM 0 HE1 TRP A 17 6.746 -4.990 0.891 1.00 0.00 H new ATOM 0 HE3 TRP A 17 1.805 -3.852 -0.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.698 -5.613 2.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 0.795 -4.636 1.331 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.231 -5.519 3.153 1.00 0.00 H new ATOM 197 N GLU A 18 1.551 -4.216 -4.896 1.00 0.00 N ATOM 198 CA GLU A 18 0.662 -3.534 -5.882 1.00 0.00 C ATOM 199 C GLU A 18 -0.502 -2.907 -5.142 1.00 0.00 C ATOM 200 O GLU A 18 -0.474 -2.747 -3.939 1.00 0.00 O ATOM 201 CB GLU A 18 0.180 -4.621 -6.851 1.00 0.00 C ATOM 202 CG GLU A 18 -0.056 -4.004 -8.231 1.00 0.00 C ATOM 203 CD GLU A 18 0.429 -4.971 -9.312 1.00 0.00 C ATOM 204 OE1 GLU A 18 -0.191 -6.009 -9.473 1.00 0.00 O ATOM 205 OE2 GLU A 18 1.414 -4.658 -9.962 1.00 0.00 O ATOM 0 H GLU A 18 1.276 -5.164 -4.641 1.00 0.00 H new ATOM 0 HA GLU A 18 1.175 -2.742 -6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.921 -5.418 -6.919 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.740 -5.072 -6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.116 -3.790 -8.369 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.474 -3.055 -8.312 1.00 0.00 H new ATOM 212 N MET A 19 -1.512 -2.532 -5.849 1.00 0.00 N ATOM 213 CA MET A 19 -2.679 -1.898 -5.184 1.00 0.00 C ATOM 214 C MET A 19 -3.954 -2.173 -5.963 1.00 0.00 C ATOM 215 O MET A 19 -3.928 -2.566 -7.112 1.00 0.00 O ATOM 216 CB MET A 19 -2.367 -0.417 -5.198 1.00 0.00 C ATOM 217 CG MET A 19 -2.996 0.259 -3.978 1.00 0.00 C ATOM 218 SD MET A 19 -3.069 2.050 -4.248 1.00 0.00 S ATOM 219 CE MET A 19 -1.363 2.281 -4.805 1.00 0.00 C ATOM 0 H MET A 19 -1.588 -2.634 -6.861 1.00 0.00 H new ATOM 0 HA MET A 19 -2.838 -2.283 -4.177 1.00 0.00 H new ATOM 0 HB2 MET A 19 -1.288 -0.264 -5.194 1.00 0.00 H new ATOM 0 HB3 MET A 19 -2.749 0.035 -6.113 1.00 0.00 H new ATOM 0 HG2 MET A 19 -3.998 -0.135 -3.807 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.411 0.039 -3.085 1.00 0.00 H new ATOM 0 HE1 MET A 19 -1.016 3.272 -4.512 1.00 0.00 H new ATOM 0 HE2 MET A 19 -0.726 1.524 -4.349 1.00 0.00 H new ATOM 0 HE3 MET A 19 -1.319 2.187 -5.890 1.00 0.00 H new ATOM 229 N ALA A 20 -5.071 -1.965 -5.339 1.00 0.00 N ATOM 230 CA ALA A 20 -6.358 -2.206 -6.030 1.00 0.00 C ATOM 231 C ALA A 20 -7.499 -1.620 -5.197 1.00 0.00 C ATOM 232 O ALA A 20 -7.425 -1.559 -3.984 1.00 0.00 O ATOM 233 CB ALA A 20 -6.456 -3.728 -6.131 1.00 0.00 C ATOM 0 H ALA A 20 -5.149 -1.637 -4.376 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.419 -1.738 -7.013 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.385 -4.000 -6.633 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.610 -4.110 -6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.444 -4.161 -5.131 1.00 0.00 H new ATOM 239 N LYS A 21 -8.542 -1.168 -5.831 1.00 0.00 N ATOM 240 CA LYS A 21 -9.670 -0.570 -5.065 1.00 0.00 C ATOM 241 C LYS A 21 -10.797 -1.587 -4.892 1.00 0.00 C ATOM 242 O LYS A 21 -11.692 -1.681 -5.707 1.00 0.00 O ATOM 243 CB LYS A 21 -10.140 0.614 -5.910 1.00 0.00 C ATOM 244 CG LYS A 21 -8.961 1.554 -6.172 1.00 0.00 C ATOM 245 CD LYS A 21 -9.317 2.966 -5.701 1.00 0.00 C ATOM 246 CE LYS A 21 -8.464 3.986 -6.454 1.00 0.00 C ATOM 247 NZ LYS A 21 -7.467 4.464 -5.454 1.00 0.00 N ATOM 0 H LYS A 21 -8.663 -1.186 -6.844 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.368 -0.263 -4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.553 0.259 -6.854 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.938 1.149 -5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.075 1.197 -5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.720 1.564 -7.235 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.375 3.162 -5.874 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.148 3.056 -4.628 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.974 3.532 -7.315 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.072 4.809 -6.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.089 5.385 -5.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.926 4.563 -4.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.689 3.777 -5.384 1.00 0.00 H new ATOM 261 N THR A 22 -10.763 -2.346 -3.832 1.00 0.00 N ATOM 262 CA THR A 22 -11.842 -3.349 -3.610 1.00 0.00 C ATOM 263 C THR A 22 -13.158 -2.629 -3.307 1.00 0.00 C ATOM 264 O THR A 22 -13.166 -1.485 -2.902 1.00 0.00 O ATOM 265 CB THR A 22 -11.396 -4.173 -2.401 1.00 0.00 C ATOM 266 OG1 THR A 22 -12.358 -5.185 -2.145 1.00 0.00 O ATOM 267 CG2 THR A 22 -11.269 -3.269 -1.172 1.00 0.00 C ATOM 0 H THR A 22 -10.039 -2.316 -3.114 1.00 0.00 H new ATOM 0 HA THR A 22 -12.004 -3.979 -4.484 1.00 0.00 H new ATOM 0 HB THR A 22 -10.428 -4.628 -2.611 1.00 0.00 H new ATOM 0 HG1 THR A 22 -12.474 -5.289 -1.177 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.951 -3.863 -0.315 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.532 -2.490 -1.368 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.234 -2.809 -0.957 1.00 0.00 H new ATOM 275 N SER A 23 -14.268 -3.290 -3.494 1.00 0.00 N ATOM 276 CA SER A 23 -15.588 -2.645 -3.210 1.00 0.00 C ATOM 277 C SER A 23 -15.759 -1.365 -4.040 1.00 0.00 C ATOM 278 O SER A 23 -16.354 -1.382 -5.100 1.00 0.00 O ATOM 279 CB SER A 23 -15.571 -2.320 -1.713 1.00 0.00 C ATOM 280 OG SER A 23 -16.406 -3.236 -1.022 1.00 0.00 O ATOM 0 H SER A 23 -14.321 -4.251 -3.832 1.00 0.00 H new ATOM 0 HA SER A 23 -16.420 -3.299 -3.472 1.00 0.00 H new ATOM 0 HB2 SER A 23 -14.553 -2.378 -1.329 1.00 0.00 H new ATOM 0 HB3 SER A 23 -15.917 -1.300 -1.547 1.00 0.00 H new ATOM 0 HG SER A 23 -16.523 -2.938 -0.096 1.00 0.00 H new ATOM 286 N SER A 24 -15.254 -0.253 -3.570 1.00 0.00 N ATOM 287 CA SER A 24 -15.408 1.014 -4.342 1.00 0.00 C ATOM 288 C SER A 24 -14.053 1.704 -4.543 1.00 0.00 C ATOM 289 O SER A 24 -13.449 1.608 -5.592 1.00 0.00 O ATOM 290 CB SER A 24 -16.328 1.885 -3.486 1.00 0.00 C ATOM 291 OG SER A 24 -16.324 3.214 -3.988 1.00 0.00 O ATOM 0 H SER A 24 -14.745 -0.169 -2.690 1.00 0.00 H new ATOM 0 HA SER A 24 -15.813 0.835 -5.338 1.00 0.00 H new ATOM 0 HB2 SER A 24 -17.341 1.483 -3.498 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.994 1.876 -2.449 1.00 0.00 H new ATOM 0 HG SER A 24 -16.915 3.772 -3.441 1.00 0.00 H new ATOM 297 N GLY A 25 -13.578 2.408 -3.550 1.00 0.00 N ATOM 298 CA GLY A 25 -12.270 3.113 -3.698 1.00 0.00 C ATOM 299 C GLY A 25 -11.283 2.622 -2.638 1.00 0.00 C ATOM 300 O GLY A 25 -10.309 3.283 -2.335 1.00 0.00 O ATOM 0 H GLY A 25 -14.036 2.526 -2.646 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.864 2.936 -4.694 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.415 4.189 -3.600 1.00 0.00 H new ATOM 304 N GLN A 26 -11.516 1.469 -2.077 1.00 0.00 N ATOM 305 CA GLN A 26 -10.574 0.949 -1.047 1.00 0.00 C ATOM 306 C GLN A 26 -9.246 0.572 -1.706 1.00 0.00 C ATOM 307 O GLN A 26 -8.988 -0.582 -1.982 1.00 0.00 O ATOM 308 CB GLN A 26 -11.260 -0.290 -0.472 1.00 0.00 C ATOM 309 CG GLN A 26 -12.377 0.140 0.482 1.00 0.00 C ATOM 310 CD GLN A 26 -13.285 -1.055 0.776 1.00 0.00 C ATOM 311 OE1 GLN A 26 -12.817 -2.106 1.167 1.00 0.00 O ATOM 312 NE2 GLN A 26 -14.574 -0.938 0.606 1.00 0.00 N ATOM 0 H GLN A 26 -12.313 0.867 -2.285 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.353 1.684 -0.273 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -11.670 -0.898 -1.278 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.534 -0.908 0.056 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.951 0.523 1.409 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.956 0.950 0.039 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -14.967 -0.056 0.278 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -15.188 -1.729 0.801 1.00 0.00 H new ATOM 321 N ARG A 27 -8.406 1.540 -1.969 1.00 0.00 N ATOM 322 CA ARG A 27 -7.097 1.240 -2.621 1.00 0.00 C ATOM 323 C ARG A 27 -6.216 0.402 -1.699 1.00 0.00 C ATOM 324 O ARG A 27 -5.232 0.881 -1.169 1.00 0.00 O ATOM 325 CB ARG A 27 -6.441 2.602 -2.857 1.00 0.00 C ATOM 326 CG ARG A 27 -6.289 3.328 -1.521 1.00 0.00 C ATOM 327 CD ARG A 27 -4.879 3.911 -1.420 1.00 0.00 C ATOM 328 NE ARG A 27 -5.081 5.383 -1.279 1.00 0.00 N ATOM 329 CZ ARG A 27 -5.365 6.130 -2.321 1.00 0.00 C ATOM 330 NH1 ARG A 27 -5.481 5.607 -3.517 1.00 0.00 N ATOM 331 NH2 ARG A 27 -5.535 7.414 -2.164 1.00 0.00 N ATOM 0 H ARG A 27 -8.570 2.525 -1.760 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.232 0.676 -3.544 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.466 2.472 -3.326 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.047 3.197 -3.540 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.030 4.123 -1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.470 2.638 -0.697 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.343 3.502 -0.564 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.290 3.676 -2.307 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.997 5.815 -0.359 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.350 4.604 -3.650 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.702 6.203 -4.315 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.447 7.831 -1.237 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.756 8.001 -2.968 1.00 0.00 H new ATOM 345 N TYR A 28 -6.540 -0.846 -1.510 1.00 0.00 N ATOM 346 CA TYR A 28 -5.688 -1.686 -0.627 1.00 0.00 C ATOM 347 C TYR A 28 -4.397 -2.020 -1.356 1.00 0.00 C ATOM 348 O TYR A 28 -4.387 -2.248 -2.553 1.00 0.00 O ATOM 349 CB TYR A 28 -6.494 -2.945 -0.313 1.00 0.00 C ATOM 350 CG TYR A 28 -6.745 -3.756 -1.562 1.00 0.00 C ATOM 351 CD1 TYR A 28 -5.834 -4.740 -1.965 1.00 0.00 C ATOM 352 CD2 TYR A 28 -7.917 -3.553 -2.293 1.00 0.00 C ATOM 353 CE1 TYR A 28 -6.104 -5.520 -3.094 1.00 0.00 C ATOM 354 CE2 TYR A 28 -8.182 -4.326 -3.427 1.00 0.00 C ATOM 355 CZ TYR A 28 -7.278 -5.312 -3.826 1.00 0.00 C ATOM 356 OH TYR A 28 -7.544 -6.081 -4.940 1.00 0.00 O ATOM 0 H TYR A 28 -7.346 -1.315 -1.923 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.420 -1.175 0.298 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.957 -3.552 0.416 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.445 -2.668 0.141 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.924 -4.896 -1.405 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -8.621 -2.796 -1.981 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.405 -6.284 -3.401 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.086 -4.160 -3.994 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.400 -5.807 -5.330 1.00 0.00 H new ATOM 366 N PHE A 29 -3.305 -2.020 -0.655 1.00 0.00 N ATOM 367 CA PHE A 29 -2.012 -2.307 -1.317 1.00 0.00 C ATOM 368 C PHE A 29 -1.747 -3.804 -1.378 1.00 0.00 C ATOM 369 O PHE A 29 -1.441 -4.452 -0.395 1.00 0.00 O ATOM 370 CB PHE A 29 -0.974 -1.564 -0.486 1.00 0.00 C ATOM 371 CG PHE A 29 -1.194 -0.086 -0.702 1.00 0.00 C ATOM 372 CD1 PHE A 29 -2.124 0.603 0.084 1.00 0.00 C ATOM 373 CD2 PHE A 29 -0.492 0.590 -1.709 1.00 0.00 C ATOM 374 CE1 PHE A 29 -2.353 1.962 -0.134 1.00 0.00 C ATOM 375 CE2 PHE A 29 -0.718 1.952 -1.922 1.00 0.00 C ATOM 376 CZ PHE A 29 -1.650 2.640 -1.136 1.00 0.00 C ATOM 0 H PHE A 29 -3.252 -1.834 0.346 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.993 -1.977 -2.356 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.075 -1.817 0.569 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.034 -1.850 -0.787 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.665 0.082 0.860 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.223 0.059 -2.320 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.074 2.491 0.471 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.173 2.475 -2.694 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.826 3.692 -1.303 1.00 0.00 H new ATOM 386 N LYS A 30 -1.859 -4.340 -2.556 1.00 0.00 N ATOM 387 CA LYS A 30 -1.609 -5.782 -2.771 1.00 0.00 C ATOM 388 C LYS A 30 -0.173 -6.100 -2.384 1.00 0.00 C ATOM 389 O LYS A 30 0.724 -5.304 -2.586 1.00 0.00 O ATOM 390 CB LYS A 30 -1.776 -5.961 -4.269 1.00 0.00 C ATOM 391 CG LYS A 30 -3.236 -5.819 -4.666 1.00 0.00 C ATOM 392 CD LYS A 30 -3.811 -7.202 -4.984 1.00 0.00 C ATOM 393 CE LYS A 30 -4.904 -7.072 -6.046 1.00 0.00 C ATOM 394 NZ LYS A 30 -5.996 -7.973 -5.581 1.00 0.00 N ATOM 0 H LYS A 30 -2.120 -3.825 -3.397 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.269 -6.425 -2.188 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.176 -5.221 -4.798 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.407 -6.942 -4.567 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.801 -5.355 -3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.327 -5.166 -5.534 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.020 -7.862 -5.340 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.220 -7.653 -4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.251 -6.042 -6.133 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.538 -7.369 -7.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.335 -8.548 -6.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.635 -8.598 -4.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.781 -7.403 -5.207 1.00 0.00 H new ATOM 408 N ASN A 31 0.058 -7.251 -1.844 1.00 0.00 N ATOM 409 CA ASN A 31 1.444 -7.614 -1.450 1.00 0.00 C ATOM 410 C ASN A 31 1.843 -8.939 -2.086 1.00 0.00 C ATOM 411 O ASN A 31 1.374 -9.990 -1.689 1.00 0.00 O ATOM 412 CB ASN A 31 1.398 -7.745 0.073 1.00 0.00 C ATOM 413 CG ASN A 31 2.808 -7.987 0.616 1.00 0.00 C ATOM 414 OD1 ASN A 31 3.813 -7.318 0.118 1.00 0.00 O flip ATOM 415 ND2 ASN A 31 2.999 -8.794 1.503 1.00 0.00 N flip ATOM 0 H ASN A 31 -0.650 -7.961 -1.656 1.00 0.00 H new ATOM 0 HA ASN A 31 2.174 -6.873 -1.776 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.980 -6.839 0.512 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.743 -8.569 0.357 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.216 -9.318 1.893 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.943 -8.948 1.858 1.00 0.00 H new ATOM 422 N HIS A 32 2.715 -8.915 -3.059 1.00 0.00 N ATOM 423 CA HIS A 32 3.134 -10.201 -3.682 1.00 0.00 C ATOM 424 C HIS A 32 4.378 -10.730 -2.958 1.00 0.00 C ATOM 425 O HIS A 32 4.982 -11.701 -3.369 1.00 0.00 O ATOM 426 CB HIS A 32 3.428 -9.886 -5.158 1.00 0.00 C ATOM 427 CG HIS A 32 2.278 -9.106 -5.748 1.00 0.00 C ATOM 428 ND1 HIS A 32 1.338 -9.686 -6.588 1.00 0.00 N ATOM 429 CD2 HIS A 32 1.885 -7.799 -5.596 1.00 0.00 C ATOM 430 CE1 HIS A 32 0.432 -8.738 -6.900 1.00 0.00 C ATOM 431 NE2 HIS A 32 0.721 -7.571 -6.321 1.00 0.00 N ATOM 0 H HIS A 32 3.148 -8.075 -3.443 1.00 0.00 H new ATOM 0 HA HIS A 32 2.366 -10.971 -3.608 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.351 -9.312 -5.241 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.577 -10.811 -5.715 1.00 0.00 H new ATOM 0 HD1 HIS A 32 1.333 -10.654 -6.911 1.00 0.00 H new ATOM 0 HD2 HIS A 32 2.402 -7.060 -5.003 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -0.422 -8.903 -7.540 1.00 0.00 H new ATOM 439 N ILE A 33 4.745 -10.115 -1.855 1.00 0.00 N ATOM 440 CA ILE A 33 5.919 -10.601 -1.083 1.00 0.00 C ATOM 441 C ILE A 33 5.506 -11.854 -0.330 1.00 0.00 C ATOM 442 O ILE A 33 6.128 -12.893 -0.424 1.00 0.00 O ATOM 443 CB ILE A 33 6.249 -9.475 -0.095 1.00 0.00 C ATOM 444 CG1 ILE A 33 6.674 -8.215 -0.855 1.00 0.00 C ATOM 445 CG2 ILE A 33 7.390 -9.921 0.820 1.00 0.00 C ATOM 446 CD1 ILE A 33 7.824 -8.564 -1.803 1.00 0.00 C ATOM 0 H ILE A 33 4.277 -9.298 -1.462 1.00 0.00 H new ATOM 0 HA ILE A 33 6.777 -10.840 -1.712 1.00 0.00 H new ATOM 0 HB ILE A 33 5.363 -9.252 0.499 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.831 -7.814 -1.418 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.987 -7.441 -0.154 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.626 -9.122 1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.088 -10.812 1.371 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.271 -10.148 0.219 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.131 -7.671 -2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.667 -8.946 -1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.494 -9.324 -2.511 1.00 0.00 H new ATOM 458 N ASP A 34 4.435 -11.758 0.402 1.00 0.00 N ATOM 459 CA ASP A 34 3.937 -12.936 1.152 1.00 0.00 C ATOM 460 C ASP A 34 2.539 -13.315 0.639 1.00 0.00 C ATOM 461 O ASP A 34 1.806 -14.040 1.283 1.00 0.00 O ATOM 462 CB ASP A 34 3.877 -12.487 2.611 1.00 0.00 C ATOM 463 CG ASP A 34 4.088 -13.697 3.526 1.00 0.00 C ATOM 464 OD1 ASP A 34 3.277 -14.605 3.470 1.00 0.00 O ATOM 465 OD2 ASP A 34 5.059 -13.693 4.264 1.00 0.00 O ATOM 0 H ASP A 34 3.881 -10.909 0.513 1.00 0.00 H new ATOM 0 HA ASP A 34 4.575 -13.812 1.032 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.642 -11.735 2.803 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.913 -12.023 2.821 1.00 0.00 H new ATOM 470 N GLN A 35 2.169 -12.826 -0.522 1.00 0.00 N ATOM 471 CA GLN A 35 0.827 -13.147 -1.097 1.00 0.00 C ATOM 472 C GLN A 35 -0.298 -12.681 -0.165 1.00 0.00 C ATOM 473 O GLN A 35 -0.798 -13.441 0.640 1.00 0.00 O ATOM 474 CB GLN A 35 0.802 -14.670 -1.246 1.00 0.00 C ATOM 475 CG GLN A 35 0.693 -15.039 -2.726 1.00 0.00 C ATOM 476 CD GLN A 35 1.466 -16.333 -2.988 1.00 0.00 C ATOM 477 OE1 GLN A 35 0.943 -17.415 -2.805 1.00 0.00 O ATOM 478 NE2 GLN A 35 2.699 -16.269 -3.412 1.00 0.00 N ATOM 0 H GLN A 35 2.746 -12.213 -1.099 1.00 0.00 H new ATOM 0 HA GLN A 35 0.670 -12.640 -2.049 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.707 -15.102 -0.819 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.041 -15.086 -0.694 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.353 -15.165 -3.004 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.092 -14.234 -3.343 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.139 -15.362 -3.566 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.222 -17.126 -3.589 1.00 0.00 H new ATOM 487 N THR A 36 -0.707 -11.441 -0.273 1.00 0.00 N ATOM 488 CA THR A 36 -1.811 -10.934 0.605 1.00 0.00 C ATOM 489 C THR A 36 -2.113 -9.461 0.295 1.00 0.00 C ATOM 490 O THR A 36 -1.317 -8.766 -0.301 1.00 0.00 O ATOM 491 CB THR A 36 -1.308 -11.074 2.051 1.00 0.00 C ATOM 492 OG1 THR A 36 0.102 -11.262 2.066 1.00 0.00 O ATOM 493 CG2 THR A 36 -1.990 -12.269 2.718 1.00 0.00 C ATOM 0 H THR A 36 -0.327 -10.758 -0.929 1.00 0.00 H new ATOM 0 HA THR A 36 -2.731 -11.496 0.443 1.00 0.00 H new ATOM 0 HB THR A 36 -1.549 -10.163 2.598 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.411 -11.348 2.992 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.632 -12.367 3.743 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.069 -12.116 2.723 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.756 -13.178 2.164 1.00 0.00 H new ATOM 501 N THR A 37 -3.260 -8.982 0.705 1.00 0.00 N ATOM 502 CA THR A 37 -3.622 -7.552 0.447 1.00 0.00 C ATOM 503 C THR A 37 -3.683 -6.798 1.781 1.00 0.00 C ATOM 504 O THR A 37 -4.207 -7.302 2.756 1.00 0.00 O ATOM 505 CB THR A 37 -5.008 -7.600 -0.214 1.00 0.00 C ATOM 506 OG1 THR A 37 -5.968 -8.040 0.737 1.00 0.00 O ATOM 507 CG2 THR A 37 -4.983 -8.567 -1.398 1.00 0.00 C ATOM 0 H THR A 37 -3.965 -9.520 1.209 1.00 0.00 H new ATOM 0 HA THR A 37 -2.897 -7.040 -0.186 1.00 0.00 H new ATOM 0 HB THR A 37 -5.274 -6.604 -0.569 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.641 -8.595 0.290 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.968 -8.598 -1.864 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.247 -8.230 -2.128 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.716 -9.564 -1.048 1.00 0.00 H new ATOM 515 N THR A 38 -3.143 -5.607 1.851 1.00 0.00 N ATOM 516 CA THR A 38 -3.176 -4.866 3.151 1.00 0.00 C ATOM 517 C THR A 38 -3.791 -3.469 2.991 1.00 0.00 C ATOM 518 O THR A 38 -3.795 -2.895 1.920 1.00 0.00 O ATOM 519 CB THR A 38 -1.705 -4.765 3.587 1.00 0.00 C ATOM 520 OG1 THR A 38 -1.649 -4.376 4.952 1.00 0.00 O ATOM 521 CG2 THR A 38 -0.958 -3.729 2.732 1.00 0.00 C ATOM 0 H THR A 38 -2.687 -5.121 1.078 1.00 0.00 H new ATOM 0 HA THR A 38 -3.794 -5.380 3.888 1.00 0.00 H new ATOM 0 HB THR A 38 -1.230 -5.737 3.454 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.713 -4.312 5.236 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.081 -3.672 3.055 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.996 -4.027 1.684 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.429 -2.753 2.849 1.00 0.00 H new ATOM 529 N TRP A 39 -4.283 -2.910 4.065 1.00 0.00 N ATOM 530 CA TRP A 39 -4.865 -1.547 4.002 1.00 0.00 C ATOM 531 C TRP A 39 -3.743 -0.518 4.145 1.00 0.00 C ATOM 532 O TRP A 39 -3.763 0.534 3.537 1.00 0.00 O ATOM 533 CB TRP A 39 -5.815 -1.450 5.198 1.00 0.00 C ATOM 534 CG TRP A 39 -6.844 -2.533 5.136 1.00 0.00 C ATOM 535 CD1 TRP A 39 -6.691 -3.784 5.629 1.00 0.00 C ATOM 536 CD2 TRP A 39 -8.187 -2.478 4.571 1.00 0.00 C ATOM 537 NE1 TRP A 39 -7.852 -4.500 5.403 1.00 0.00 N ATOM 538 CE2 TRP A 39 -8.803 -3.739 4.753 1.00 0.00 C ATOM 539 CE3 TRP A 39 -8.922 -1.469 3.924 1.00 0.00 C ATOM 540 CZ2 TRP A 39 -10.100 -3.988 4.311 1.00 0.00 C ATOM 541 CZ3 TRP A 39 -10.230 -1.719 3.476 1.00 0.00 C ATOM 542 CH2 TRP A 39 -10.817 -2.977 3.670 1.00 0.00 C ATOM 0 H TRP A 39 -4.305 -3.346 4.987 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.383 -1.360 3.061 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.250 -1.529 6.127 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.303 -0.476 5.204 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -5.806 -4.162 6.119 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.989 -5.471 5.682 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -8.479 -0.496 3.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -10.549 -4.959 4.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -10.786 -0.938 2.979 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -11.823 -3.164 3.324 1.00 0.00 H new ATOM 553 N GLN A 40 -2.762 -0.823 4.954 1.00 0.00 N ATOM 554 CA GLN A 40 -1.624 0.120 5.157 1.00 0.00 C ATOM 555 C GLN A 40 -1.058 0.569 3.811 1.00 0.00 C ATOM 556 O GLN A 40 -1.494 0.136 2.763 1.00 0.00 O ATOM 557 CB GLN A 40 -0.582 -0.681 5.935 1.00 0.00 C ATOM 558 CG GLN A 40 -0.053 0.163 7.097 1.00 0.00 C ATOM 559 CD GLN A 40 1.421 -0.169 7.339 1.00 0.00 C ATOM 560 OE1 GLN A 40 1.793 -0.587 8.417 1.00 0.00 O ATOM 561 NE2 GLN A 40 2.282 0.001 6.373 1.00 0.00 N ATOM 0 H GLN A 40 -2.701 -1.691 5.486 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.927 1.022 5.688 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.024 -1.603 6.313 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.238 -0.967 5.277 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.166 1.223 6.871 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.634 -0.034 7.998 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.970 0.352 5.468 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.267 -0.217 6.523 1.00 0.00 H new ATOM 570 N ASP A 41 -0.094 1.443 3.835 1.00 0.00 N ATOM 571 CA ASP A 41 0.497 1.932 2.559 1.00 0.00 C ATOM 572 C ASP A 41 2.012 1.665 2.528 1.00 0.00 C ATOM 573 O ASP A 41 2.764 2.315 3.226 1.00 0.00 O ATOM 574 CB ASP A 41 0.220 3.434 2.551 1.00 0.00 C ATOM 575 CG ASP A 41 -1.283 3.677 2.715 1.00 0.00 C ATOM 576 OD1 ASP A 41 -1.750 3.639 3.843 1.00 0.00 O ATOM 577 OD2 ASP A 41 -1.941 3.895 1.712 1.00 0.00 O ATOM 0 H ASP A 41 0.311 1.841 4.682 1.00 0.00 H new ATOM 0 HA ASP A 41 0.073 1.429 1.690 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.768 3.920 3.358 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.571 3.874 1.618 1.00 0.00 H new ATOM 582 N PRO A 42 2.416 0.723 1.706 1.00 0.00 N ATOM 583 CA PRO A 42 3.855 0.392 1.583 1.00 0.00 C ATOM 584 C PRO A 42 4.583 1.526 0.858 1.00 0.00 C ATOM 585 O PRO A 42 5.774 1.717 1.010 1.00 0.00 O ATOM 586 CB PRO A 42 3.864 -0.881 0.742 1.00 0.00 C ATOM 587 CG PRO A 42 2.589 -0.831 -0.035 1.00 0.00 C ATOM 588 CD PRO A 42 1.588 -0.108 0.824 1.00 0.00 C ATOM 0 HA PRO A 42 4.354 0.259 2.543 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.730 -0.913 0.081 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.910 -1.770 1.370 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.733 -0.311 -0.982 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.241 -1.836 -0.273 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.910 0.499 0.223 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.973 -0.805 1.393 1.00 0.00 H new ATOM 596 N ARG A 43 3.866 2.283 0.070 1.00 0.00 N ATOM 597 CA ARG A 43 4.497 3.411 -0.671 1.00 0.00 C ATOM 598 C ARG A 43 5.215 4.351 0.301 1.00 0.00 C ATOM 599 O ARG A 43 6.425 4.459 0.295 1.00 0.00 O ATOM 600 CB ARG A 43 3.331 4.131 -1.348 1.00 0.00 C ATOM 601 CG ARG A 43 3.751 4.595 -2.744 1.00 0.00 C ATOM 602 CD ARG A 43 2.821 3.974 -3.789 1.00 0.00 C ATOM 603 NE ARG A 43 1.549 4.746 -3.675 1.00 0.00 N ATOM 604 CZ ARG A 43 1.443 5.951 -4.188 1.00 0.00 C ATOM 605 NH1 ARG A 43 2.452 6.511 -4.811 1.00 0.00 N ATOM 606 NH2 ARG A 43 0.317 6.600 -4.077 1.00 0.00 N ATOM 0 H ARG A 43 2.866 2.167 -0.092 1.00 0.00 H new ATOM 0 HA ARG A 43 5.243 3.070 -1.388 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.472 3.464 -1.419 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.022 4.987 -0.748 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.710 5.682 -2.805 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.783 4.304 -2.941 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.243 4.053 -4.791 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.659 2.914 -3.594 1.00 0.00 H new ATOM 0 HE ARG A 43 0.751 4.333 -3.192 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.336 6.010 -4.903 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.353 7.447 -5.204 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.473 6.172 -3.595 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.227 7.536 -4.472 1.00 0.00 H new ATOM 620 N LYS A 44 4.479 5.031 1.137 1.00 0.00 N ATOM 621 CA LYS A 44 5.122 5.963 2.106 1.00 0.00 C ATOM 622 C LYS A 44 4.253 6.117 3.358 1.00 0.00 C ATOM 623 O LYS A 44 3.421 6.998 3.442 1.00 0.00 O ATOM 624 CB LYS A 44 5.230 7.294 1.361 1.00 0.00 C ATOM 625 CG LYS A 44 6.651 7.845 1.506 1.00 0.00 C ATOM 626 CD LYS A 44 6.716 9.252 0.908 1.00 0.00 C ATOM 627 CE LYS A 44 8.013 9.934 1.345 1.00 0.00 C ATOM 628 NZ LYS A 44 9.097 9.140 0.702 1.00 0.00 N ATOM 0 H LYS A 44 3.462 4.982 1.191 1.00 0.00 H new ATOM 0 HA LYS A 44 6.094 5.601 2.441 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.988 7.154 0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.509 8.007 1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.937 7.872 2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.360 7.190 1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.670 9.199 -0.180 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.857 9.838 1.235 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.041 10.975 1.022 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.113 9.934 2.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.904 9.761 0.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.402 8.383 1.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.743 8.721 -0.181 1.00 0.00 H new ATOM 642 N ALA A 45 4.443 5.269 4.331 1.00 0.00 N ATOM 643 CA ALA A 45 3.628 5.372 5.576 1.00 0.00 C ATOM 644 C ALA A 45 4.364 4.713 6.746 1.00 0.00 C ATOM 645 O ALA A 45 3.961 3.682 7.245 1.00 0.00 O ATOM 646 CB ALA A 45 2.333 4.621 5.266 1.00 0.00 C ATOM 0 H ALA A 45 5.125 4.511 4.319 1.00 0.00 H new ATOM 0 HA ALA A 45 3.440 6.407 5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.677 4.651 6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.834 5.091 4.419 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.563 3.584 5.021 1.00 0.00 H new ATOM 652 N MET A 46 5.444 5.301 7.186 1.00 0.00 N ATOM 653 CA MET A 46 6.205 4.708 8.322 1.00 0.00 C ATOM 654 C MET A 46 7.189 5.735 8.891 1.00 0.00 C ATOM 655 O MET A 46 7.190 6.020 10.072 1.00 0.00 O ATOM 656 CB MET A 46 6.957 3.522 7.719 1.00 0.00 C ATOM 657 CG MET A 46 7.799 2.847 8.804 1.00 0.00 C ATOM 658 SD MET A 46 8.166 1.144 8.312 1.00 0.00 S ATOM 659 CE MET A 46 9.617 0.911 9.367 1.00 0.00 C ATOM 0 H MET A 46 5.831 6.166 6.808 1.00 0.00 H new ATOM 0 HA MET A 46 5.554 4.403 9.141 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.251 2.808 7.295 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.597 3.860 6.904 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.726 3.400 8.957 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.263 2.855 9.753 1.00 0.00 H new ATOM 0 HE1 MET A 46 10.015 -0.093 9.222 1.00 0.00 H new ATOM 0 HE2 MET A 46 10.379 1.645 9.104 1.00 0.00 H new ATOM 0 HE3 MET A 46 9.332 1.041 10.411 1.00 0.00 H new ATOM 669 N LEU A 47 8.027 6.292 8.059 1.00 0.00 N ATOM 670 CA LEU A 47 9.009 7.299 8.553 1.00 0.00 C ATOM 671 C LEU A 47 8.815 8.630 7.820 1.00 0.00 C ATOM 672 O LEU A 47 9.738 9.171 7.243 1.00 0.00 O ATOM 673 CB LEU A 47 10.380 6.705 8.233 1.00 0.00 C ATOM 674 CG LEU A 47 11.347 7.004 9.380 1.00 0.00 C ATOM 675 CD1 LEU A 47 11.458 5.778 10.288 1.00 0.00 C ATOM 676 CD2 LEU A 47 12.726 7.344 8.811 1.00 0.00 C ATOM 0 H LEU A 47 8.074 6.093 7.060 1.00 0.00 H new ATOM 0 HA LEU A 47 8.892 7.503 9.617 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.296 5.628 8.086 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.762 7.125 7.303 1.00 0.00 H new ATOM 0 HG LEU A 47 10.974 7.850 9.957 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.147 5.992 11.105 1.00 0.00 H new ATOM 0 HD12 LEU A 47 10.476 5.537 10.695 1.00 0.00 H new ATOM 0 HD13 LEU A 47 11.830 4.931 9.712 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.415 7.557 9.629 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.100 6.499 8.233 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.648 8.219 8.166 1.00 0.00 H new ATOM 688 N SER A 48 7.624 9.160 7.839 1.00 0.00 N ATOM 689 CA SER A 48 7.373 10.455 7.143 1.00 0.00 C ATOM 690 C SER A 48 7.978 11.611 7.945 1.00 0.00 C ATOM 691 O SER A 48 9.051 12.094 7.641 1.00 0.00 O ATOM 692 CB SER A 48 5.850 10.583 7.083 1.00 0.00 C ATOM 693 OG SER A 48 5.502 11.918 6.747 1.00 0.00 O ATOM 0 H SER A 48 6.813 8.754 8.306 1.00 0.00 H new ATOM 0 HA SER A 48 7.824 10.486 6.151 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.445 9.893 6.343 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.413 10.313 8.044 1.00 0.00 H new ATOM 0 HG SER A 48 4.526 12.001 6.706 1.00 0.00 H new ATOM 699 N GLN A 49 7.297 12.059 8.965 1.00 0.00 N ATOM 700 CA GLN A 49 7.834 13.183 9.783 1.00 0.00 C ATOM 701 C GLN A 49 7.242 13.141 11.194 1.00 0.00 C ATOM 702 O GLN A 49 7.929 13.354 12.174 1.00 0.00 O ATOM 703 CB GLN A 49 7.392 14.452 9.053 1.00 0.00 C ATOM 704 CG GLN A 49 8.624 15.236 8.600 1.00 0.00 C ATOM 705 CD GLN A 49 8.370 16.734 8.781 1.00 0.00 C ATOM 706 OE1 GLN A 49 7.983 17.413 7.850 1.00 0.00 O ATOM 707 NE2 GLN A 49 8.574 17.282 9.947 1.00 0.00 N ATOM 0 H GLN A 49 6.393 11.695 9.267 1.00 0.00 H new ATOM 0 HA GLN A 49 8.917 13.133 9.892 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.776 14.193 8.192 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.778 15.067 9.711 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.495 14.931 9.180 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.844 15.017 7.555 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.899 16.712 10.728 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.409 18.280 10.077 1.00 0.00 H new ATOM 716 N MET A 50 5.971 12.866 11.306 1.00 0.00 N ATOM 717 CA MET A 50 5.335 12.809 12.654 1.00 0.00 C ATOM 718 C MET A 50 5.616 14.101 13.427 1.00 0.00 C ATOM 719 O MET A 50 5.457 14.091 14.636 1.00 0.00 O ATOM 720 CB MET A 50 5.988 11.615 13.350 1.00 0.00 C ATOM 721 CG MET A 50 4.909 10.770 14.030 1.00 0.00 C ATOM 722 SD MET A 50 4.397 11.571 15.571 1.00 0.00 S ATOM 723 CE MET A 50 2.817 10.711 15.760 1.00 0.00 C ATOM 724 OXT MET A 50 5.987 15.077 12.795 1.00 0.00 O ATOM 0 H MET A 50 5.345 12.678 10.523 1.00 0.00 H new ATOM 0 HA MET A 50 4.252 12.704 12.595 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.535 11.012 12.625 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.712 11.961 14.087 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.052 10.653 13.367 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.291 9.770 14.237 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.320 11.058 16.666 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.184 10.918 14.897 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.993 9.638 15.831 1.00 0.00 H new TER 734 MET A 50 ATOM 735 N GLY P 51 -13.086 -7.340 12.696 1.00 0.00 N ATOM 736 CA GLY P 51 -12.403 -6.251 11.939 1.00 0.00 C ATOM 737 C GLY P 51 -12.617 -6.460 10.439 1.00 0.00 C ATOM 738 O GLY P 51 -12.425 -7.541 9.919 1.00 0.00 O ATOM 0 HA2 GLY P 51 -12.797 -5.281 12.242 1.00 0.00 H new ATOM 0 HA3 GLY P 51 -11.337 -6.248 12.168 1.00 0.00 H new ATOM 744 N THR P 52 -13.011 -5.431 9.739 1.00 0.00 N ATOM 745 CA THR P 52 -13.238 -5.568 8.270 1.00 0.00 C ATOM 746 C THR P 52 -12.006 -6.191 7.597 1.00 0.00 C ATOM 747 O THR P 52 -10.983 -5.546 7.471 1.00 0.00 O ATOM 748 CB THR P 52 -13.451 -4.137 7.772 1.00 0.00 C ATOM 749 OG1 THR P 52 -12.603 -3.255 8.493 1.00 0.00 O ATOM 750 CG2 THR P 52 -14.911 -3.733 7.984 1.00 0.00 C ATOM 0 H THR P 52 -13.186 -4.501 10.120 1.00 0.00 H new ATOM 0 HA THR P 52 -14.085 -6.214 8.041 1.00 0.00 H new ATOM 0 HB THR P 52 -13.213 -4.082 6.710 1.00 0.00 H new ATOM 0 HG1 THR P 52 -11.691 -3.613 8.502 1.00 0.00 H new ATOM 0 HG21 THR P 52 -15.062 -2.714 7.629 1.00 0.00 H new ATOM 0 HG22 THR P 52 -15.560 -4.410 7.429 1.00 0.00 H new ATOM 0 HG23 THR P 52 -15.153 -3.787 9.045 1.00 0.00 H new ATOM 758 N PRO P 53 -12.137 -7.430 7.181 1.00 0.00 N ATOM 759 CA PRO P 53 -11.007 -8.124 6.517 1.00 0.00 C ATOM 760 C PRO P 53 -10.787 -7.563 5.105 1.00 0.00 C ATOM 761 O PRO P 53 -11.724 -7.135 4.462 1.00 0.00 O ATOM 762 CB PRO P 53 -11.461 -9.579 6.458 1.00 0.00 C ATOM 763 CG PRO P 53 -12.955 -9.519 6.495 1.00 0.00 C ATOM 764 CD PRO P 53 -13.325 -8.291 7.285 1.00 0.00 C ATOM 0 HA PRO P 53 -10.061 -8.000 7.044 1.00 0.00 H new ATOM 0 HB2 PRO P 53 -11.108 -10.066 5.549 1.00 0.00 H new ATOM 0 HB3 PRO P 53 -11.068 -10.150 7.299 1.00 0.00 H new ATOM 0 HG2 PRO P 53 -13.364 -9.467 5.486 1.00 0.00 H new ATOM 0 HG3 PRO P 53 -13.366 -10.415 6.960 1.00 0.00 H new ATOM 0 HD2 PRO P 53 -14.209 -7.803 6.874 1.00 0.00 H new ATOM 0 HD3 PRO P 53 -13.550 -8.537 8.323 1.00 0.00 H new ATOM 772 N PRO P 54 -9.551 -7.580 4.667 1.00 0.00 N ATOM 773 CA PRO P 54 -9.218 -7.063 3.316 1.00 0.00 C ATOM 774 C PRO P 54 -9.801 -7.967 2.221 1.00 0.00 C ATOM 775 O PRO P 54 -10.327 -9.025 2.506 1.00 0.00 O ATOM 776 CB PRO P 54 -7.691 -7.087 3.288 1.00 0.00 C ATOM 777 CG PRO P 54 -7.310 -8.125 4.292 1.00 0.00 C ATOM 778 CD PRO P 54 -8.358 -8.076 5.371 1.00 0.00 C ATOM 0 HA PRO P 54 -9.630 -6.071 3.130 1.00 0.00 H new ATOM 0 HB2 PRO P 54 -7.317 -7.340 2.296 1.00 0.00 H new ATOM 0 HB3 PRO P 54 -7.275 -6.114 3.547 1.00 0.00 H new ATOM 0 HG2 PRO P 54 -7.270 -9.113 3.833 1.00 0.00 H new ATOM 0 HG3 PRO P 54 -6.320 -7.924 4.702 1.00 0.00 H new ATOM 0 HD2 PRO P 54 -8.530 -9.059 5.809 1.00 0.00 H new ATOM 0 HD3 PRO P 54 -8.066 -7.411 6.184 1.00 0.00 H new ATOM 786 N PRO P 55 -9.689 -7.512 0.994 1.00 0.00 N ATOM 787 CA PRO P 55 -10.216 -8.285 -0.159 1.00 0.00 C ATOM 788 C PRO P 55 -9.360 -9.533 -0.407 1.00 0.00 C ATOM 789 O PRO P 55 -8.337 -9.712 0.224 1.00 0.00 O ATOM 790 CB PRO P 55 -10.095 -7.307 -1.328 1.00 0.00 C ATOM 791 CG PRO P 55 -9.013 -6.362 -0.929 1.00 0.00 C ATOM 792 CD PRO P 55 -9.068 -6.249 0.569 1.00 0.00 C ATOM 0 HA PRO P 55 -11.235 -8.641 -0.005 1.00 0.00 H new ATOM 0 HB2 PRO P 55 -9.844 -7.826 -2.253 1.00 0.00 H new ATOM 0 HB3 PRO P 55 -11.034 -6.781 -1.502 1.00 0.00 H new ATOM 0 HG2 PRO P 55 -8.039 -6.729 -1.254 1.00 0.00 H new ATOM 0 HG3 PRO P 55 -9.158 -5.388 -1.396 1.00 0.00 H new ATOM 0 HD2 PRO P 55 -8.073 -6.128 0.998 1.00 0.00 H new ATOM 0 HD3 PRO P 55 -9.657 -5.388 0.884 1.00 0.00 H new ATOM 800 N PRO P 56 -9.801 -10.357 -1.327 1.00 0.00 N ATOM 801 CA PRO P 56 -9.046 -11.590 -1.655 1.00 0.00 C ATOM 802 C PRO P 56 -7.731 -11.225 -2.345 1.00 0.00 C ATOM 803 O PRO P 56 -7.269 -10.104 -2.260 1.00 0.00 O ATOM 804 CB PRO P 56 -9.980 -12.345 -2.600 1.00 0.00 C ATOM 805 CG PRO P 56 -10.852 -11.289 -3.196 1.00 0.00 C ATOM 806 CD PRO P 56 -11.020 -10.227 -2.143 1.00 0.00 C ATOM 0 HA PRO P 56 -8.778 -12.184 -0.781 1.00 0.00 H new ATOM 0 HB2 PRO P 56 -9.420 -12.876 -3.369 1.00 0.00 H new ATOM 0 HB3 PRO P 56 -10.569 -13.089 -2.064 1.00 0.00 H new ATOM 0 HG2 PRO P 56 -10.398 -10.874 -4.096 1.00 0.00 H new ATOM 0 HG3 PRO P 56 -11.818 -11.702 -3.487 1.00 0.00 H new ATOM 0 HD2 PRO P 56 -11.104 -9.234 -2.584 1.00 0.00 H new ATOM 0 HD3 PRO P 56 -11.920 -10.389 -1.549 1.00 0.00 H new ATOM 814 N TYR P 57 -7.118 -12.154 -3.022 1.00 0.00 N ATOM 815 CA TYR P 57 -5.830 -11.840 -3.702 1.00 0.00 C ATOM 816 C TYR P 57 -5.677 -12.679 -4.973 1.00 0.00 C ATOM 817 O TYR P 57 -6.247 -13.746 -5.099 1.00 0.00 O ATOM 818 CB TYR P 57 -4.756 -12.200 -2.677 1.00 0.00 C ATOM 819 CG TYR P 57 -3.419 -11.678 -3.137 1.00 0.00 C ATOM 820 CD1 TYR P 57 -3.264 -10.323 -3.456 1.00 0.00 C ATOM 821 CD2 TYR P 57 -2.330 -12.549 -3.235 1.00 0.00 C ATOM 822 CE1 TYR P 57 -2.017 -9.844 -3.871 1.00 0.00 C ATOM 823 CE2 TYR P 57 -1.086 -12.070 -3.652 1.00 0.00 C ATOM 824 CZ TYR P 57 -0.929 -10.717 -3.969 1.00 0.00 C ATOM 825 OH TYR P 57 0.299 -10.246 -4.372 1.00 0.00 O ATOM 0 H TYR P 57 -7.450 -13.112 -3.134 1.00 0.00 H new ATOM 0 HA TYR P 57 -5.766 -10.797 -4.013 1.00 0.00 H new ATOM 0 HB2 TYR P 57 -5.009 -11.774 -1.706 1.00 0.00 H new ATOM 0 HB3 TYR P 57 -4.710 -13.281 -2.548 1.00 0.00 H new ATOM 0 HD1 TYR P 57 -4.105 -9.650 -3.382 1.00 0.00 H new ATOM 0 HD2 TYR P 57 -2.451 -13.593 -2.988 1.00 0.00 H new ATOM 0 HE1 TYR P 57 -1.894 -8.799 -4.116 1.00 0.00 H new ATOM 0 HE2 TYR P 57 -0.246 -12.744 -3.730 1.00 0.00 H new ATOM 0 HH TYR P 57 0.454 -10.495 -5.307 1.00 0.00 H new ATOM 835 N THR P 58 -4.914 -12.201 -5.918 1.00 0.00 N ATOM 836 CA THR P 58 -4.726 -12.965 -7.186 1.00 0.00 C ATOM 837 C THR P 58 -3.234 -13.130 -7.511 1.00 0.00 C ATOM 838 O THR P 58 -2.874 -13.755 -8.488 1.00 0.00 O ATOM 839 CB THR P 58 -5.412 -12.113 -8.255 1.00 0.00 C ATOM 840 OG1 THR P 58 -6.805 -12.045 -7.981 1.00 0.00 O ATOM 841 CG2 THR P 58 -5.192 -12.738 -9.633 1.00 0.00 C ATOM 0 H THR P 58 -4.412 -11.314 -5.868 1.00 0.00 H new ATOM 0 HA THR P 58 -5.141 -13.971 -7.122 1.00 0.00 H new ATOM 0 HB THR P 58 -4.988 -11.109 -8.245 1.00 0.00 H new ATOM 0 HG1 THR P 58 -7.246 -11.498 -8.664 1.00 0.00 H new ATOM 0 HG21 THR P 58 -5.682 -12.128 -10.392 1.00 0.00 H new ATOM 0 HG22 THR P 58 -4.124 -12.789 -9.843 1.00 0.00 H new ATOM 0 HG23 THR P 58 -5.613 -13.743 -9.648 1.00 0.00 H new ATOM 849 N VAL P 59 -2.364 -12.575 -6.708 1.00 0.00 N ATOM 850 CA VAL P 59 -0.901 -12.705 -6.985 1.00 0.00 C ATOM 851 C VAL P 59 -0.581 -12.182 -8.388 1.00 0.00 C ATOM 852 O VAL P 59 -1.465 -11.899 -9.172 1.00 0.00 O ATOM 853 CB VAL P 59 -0.597 -14.204 -6.891 1.00 0.00 C ATOM 854 CG1 VAL P 59 0.914 -14.424 -6.993 1.00 0.00 C ATOM 855 CG2 VAL P 59 -1.100 -14.750 -5.552 1.00 0.00 C ATOM 0 H VAL P 59 -2.602 -12.038 -5.874 1.00 0.00 H new ATOM 0 HA VAL P 59 -0.301 -12.128 -6.282 1.00 0.00 H new ATOM 0 HB VAL P 59 -1.099 -14.725 -7.706 1.00 0.00 H new ATOM 0 HG11 VAL P 59 1.132 -15.490 -6.926 1.00 0.00 H new ATOM 0 HG12 VAL P 59 1.274 -14.039 -7.947 1.00 0.00 H new ATOM 0 HG13 VAL P 59 1.414 -13.900 -6.178 1.00 0.00 H new ATOM 0 HG21 VAL P 59 -0.882 -15.816 -5.489 1.00 0.00 H new ATOM 0 HG22 VAL P 59 -0.600 -14.228 -4.736 1.00 0.00 H new ATOM 0 HG23 VAL P 59 -2.176 -14.595 -5.477 1.00 0.00 H new ATOM 865 N GLY P 60 0.676 -12.051 -8.710 1.00 0.00 N ATOM 866 CA GLY P 60 1.050 -11.546 -10.062 1.00 0.00 C ATOM 867 C GLY P 60 2.514 -11.105 -10.054 1.00 0.00 C ATOM 868 O GLY P 60 3.180 -11.310 -11.056 1.00 0.00 O ATOM 869 OXT GLY P 60 2.946 -10.569 -9.046 1.00 0.00 O ATOM 0 H GLY P 60 1.460 -12.271 -8.096 1.00 0.00 H new ATOM 0 HA2 GLY P 60 0.898 -12.326 -10.808 1.00 0.00 H new ATOM 0 HA3 GLY P 60 0.409 -10.710 -10.340 1.00 0.00 H new TER 873 GLY P 60