USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 751 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 89 ASN : amide:sc= 0.462 K(o=-0.76,f=-7.2) USER MOD Set 1.2: A 110 LYS NZ :NH3+ -158:sc= -1.22! (180deg=-3.04!) USER MOD Set 2.1: A 76 TYR OH : rot 180:sc= 0.306 USER MOD Set 2.2: A 80 LYS NZ :NH3+ -150:sc= 0.315 (180deg=-0.168) USER MOD Set 3.1: A 69 CYS SG : rot -9:sc= 0.125 USER MOD Set 3.2: A 70 THR OG1 : rot -156:sc= -1.15 USER MOD Set 4.1: A 32 GLN :FLIP amide:sc= -3.76! C(o=-5.3!,f=-3.8!) USER MOD Set 4.2: A 41 GLN :FLIP amide:sc= -0.392 F(o=-5.3,f=-3.8) USER MOD Set 4.3: A 117 SER OG : rot 118:sc= 0.31 USER MOD Single : A 38 ASN : amide:sc= -0.0195 K(o=-0.02,f=-1.2) USER MOD Single : A 42 TYR OH : rot 147:sc= -0.729 USER MOD Single : A 43 ASN : amide:sc= -1.32 K(o=-1.3,f=-4.8!) USER MOD Single : A 50 THR OG1 : rot -32:sc= 0.885 USER MOD Single : A 55 LYS NZ :NH3+ -167:sc=-0.00614 (180deg=-0.127) USER MOD Single : A 56 GLN : amide:sc= -0.0763 K(o=-0.076,f=-0.61) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0343 K(o=-0.034,f=-7.2!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -109:sc= -0.129 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 86:sc= 1.22 USER MOD Single : A 87 ASN : amide:sc= -0.0351 X(o=-0.035,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -152:sc= -0.945 (180deg=-1.95!) USER MOD Single : A 94 TYR OH : rot -140:sc= -1.42 USER MOD Single : A 95 THR OG1 : rot 64:sc= 1.2 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.38 K(o=-0.38,f=-1.4) USER MOD Single : A 100 MET CE :methyl 167:sc= 0 (180deg=-0.114) USER MOD Single : A 101 THR OG1 : rot 180:sc= -1.52! USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 104 LYS NZ :NH3+ -152:sc= 1.23 (180deg=1.19) USER MOD Single : A 106 LYS NZ :NH3+ -172:sc= 1.21 (180deg=1.01) USER MOD Single : A 108 HIS :FLIP no HE2:sc= -0.412 F(o=-3.3,f=-0.41) USER MOD Single : A 109 MET CE :methyl -172:sc= -1.01 (180deg=-1.57) USER MOD Single : A 111 LYS NZ :NH3+ -142:sc= 0.106 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0.0401 USER MOD Single : A 118 TYR OH : rot 180:sc= -2.5! USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N PHE A 28 -6.069 -3.563 12.242 1.00 1.27 N ATOM 31 CA PHE A 28 -5.069 -2.762 11.553 1.00 1.21 C ATOM 32 C PHE A 28 -4.963 -3.203 10.099 1.00 0.94 C ATOM 33 O PHE A 28 -5.420 -4.291 9.740 1.00 0.94 O ATOM 34 CB PHE A 28 -3.702 -2.889 12.244 1.00 1.52 C ATOM 35 CG PHE A 28 -3.141 -4.287 12.247 1.00 1.96 C ATOM 36 CD1 PHE A 28 -2.247 -4.694 11.268 1.00 2.75 C ATOM 37 CD2 PHE A 28 -3.511 -5.193 13.227 1.00 2.12 C ATOM 38 CE1 PHE A 28 -1.733 -5.976 11.269 1.00 3.75 C ATOM 39 CE2 PHE A 28 -3.000 -6.476 13.233 1.00 2.99 C ATOM 40 CZ PHE A 28 -2.099 -6.864 12.253 1.00 3.85 C ATOM 0 HA PHE A 28 -5.377 -1.717 11.589 1.00 1.21 H new ATOM 0 HB2 PHE A 28 -2.993 -2.226 11.748 1.00 1.52 H new ATOM 0 HB3 PHE A 28 -3.794 -2.544 13.274 1.00 1.52 H new ATOM 0 HD1 PHE A 28 -1.949 -4.000 10.496 1.00 2.75 H new ATOM 0 HD2 PHE A 28 -4.208 -4.893 13.996 1.00 2.12 H new ATOM 0 HE1 PHE A 28 -1.043 -6.281 10.496 1.00 3.75 H new ATOM 0 HE2 PHE A 28 -3.301 -7.175 13.999 1.00 2.99 H new ATOM 0 HZ PHE A 28 -1.686 -7.862 12.263 1.00 3.85 H new ATOM 50 N GLY A 29 -4.375 -2.361 9.268 1.00 0.85 N ATOM 51 CA GLY A 29 -4.166 -2.718 7.883 1.00 0.73 C ATOM 52 C GLY A 29 -2.723 -3.067 7.619 1.00 0.63 C ATOM 53 O GLY A 29 -1.827 -2.321 8.003 1.00 0.69 O ATOM 0 H GLY A 29 -4.038 -1.434 9.528 1.00 0.85 H new ATOM 0 HA2 GLY A 29 -4.801 -3.565 7.624 1.00 0.73 H new ATOM 0 HA3 GLY A 29 -4.465 -1.888 7.242 1.00 0.73 H new ATOM 57 N ALA A 30 -2.493 -4.202 6.978 1.00 0.66 N ATOM 58 CA ALA A 30 -1.142 -4.660 6.704 1.00 0.59 C ATOM 59 C ALA A 30 -1.015 -5.174 5.278 1.00 0.56 C ATOM 60 O ALA A 30 -1.472 -6.267 4.953 1.00 0.65 O ATOM 61 CB ALA A 30 -0.734 -5.738 7.698 1.00 0.71 C ATOM 0 H ALA A 30 -3.227 -4.823 6.638 1.00 0.66 H new ATOM 0 HA ALA A 30 -0.469 -3.810 6.815 1.00 0.59 H new ATOM 0 HB1 ALA A 30 0.281 -6.070 7.478 1.00 0.71 H new ATOM 0 HB2 ALA A 30 -0.773 -5.334 8.709 1.00 0.71 H new ATOM 0 HB3 ALA A 30 -1.417 -6.583 7.619 1.00 0.71 H new ATOM 67 N ILE A 31 -0.401 -4.369 4.434 1.00 0.49 N ATOM 68 CA ILE A 31 -0.147 -4.745 3.058 1.00 0.53 C ATOM 69 C ILE A 31 1.364 -4.886 2.876 1.00 0.43 C ATOM 70 O ILE A 31 2.130 -4.398 3.705 1.00 0.49 O ATOM 71 CB ILE A 31 -0.630 -3.825 2.218 1.00 0.62 C ATOM 72 CG1 ILE A 31 -2.078 -3.469 2.562 1.00 0.82 C ATOM 73 CG2 ILE A 31 -0.544 -4.291 0.768 1.00 1.08 C ATOM 74 CD1 ILE A 31 -2.649 -2.355 1.709 1.00 0.96 C ATOM 0 H ILE A 31 -0.065 -3.438 4.682 1.00 0.49 H new ATOM 0 HA ILE A 31 -0.645 -5.689 2.835 1.00 0.53 H new ATOM 0 HB ILE A 31 -0.012 -2.934 2.332 1.00 0.62 H new ATOM 0 HG12 ILE A 31 -2.699 -4.358 2.447 1.00 0.82 H new ATOM 0 HG13 ILE A 31 -2.132 -3.176 3.611 1.00 0.82 H new ATOM 0 HG21 ILE A 31 -0.946 -3.518 0.113 1.00 1.08 H new ATOM 0 HG22 ILE A 31 0.497 -4.482 0.508 1.00 1.08 H new ATOM 0 HG23 ILE A 31 -1.122 -5.207 0.645 1.00 1.08 H new ATOM 0 HD11 ILE A 31 -3.678 -2.157 2.010 1.00 0.96 H new ATOM 0 HD12 ILE A 31 -2.052 -1.453 1.842 1.00 0.96 H new ATOM 0 HD13 ILE A 31 -2.628 -2.652 0.661 1.00 0.96 H new ATOM 86 N GLN A 32 1.802 -5.598 1.855 1.00 0.39 N ATOM 87 CA GLN A 32 3.216 -5.656 1.543 1.00 0.34 C ATOM 88 C GLN A 32 3.444 -5.410 0.058 1.00 0.33 C ATOM 89 O GLN A 32 2.975 -6.178 -0.783 1.00 0.36 O ATOM 90 CB GLN A 32 3.807 -7.000 1.961 1.00 0.37 C ATOM 91 CG GLN A 32 5.285 -7.116 1.649 1.00 0.53 C ATOM 92 CD GLN A 32 5.895 -8.393 2.170 1.00 0.58 C ATOM 93 OE1 GLN A 32 7.179 -8.345 2.461 1.00 0.68 O flip ATOM 94 NE2 GLN A 32 5.221 -9.414 2.301 1.00 0.86 N flip ATOM 0 H GLN A 32 1.204 -6.140 1.232 1.00 0.39 H new ATOM 0 HA GLN A 32 3.723 -4.872 2.105 1.00 0.34 H new ATOM 0 HB2 GLN A 32 3.654 -7.141 3.031 1.00 0.37 H new ATOM 0 HB3 GLN A 32 3.270 -7.801 1.454 1.00 0.37 H new ATOM 0 HG2 GLN A 32 5.429 -7.064 0.570 1.00 0.53 H new ATOM 0 HG3 GLN A 32 5.811 -6.265 2.082 1.00 0.53 H new ATOM 0 HE21 GLN A 32 4.229 -9.404 2.063 1.00 0.86 H new ATOM 0 HE22 GLN A 32 5.654 -10.270 2.648 1.00 0.86 H new ATOM 103 N LEU A 33 4.142 -4.326 -0.260 1.00 0.38 N ATOM 104 CA LEU A 33 4.466 -4.007 -1.645 1.00 0.41 C ATOM 105 C LEU A 33 5.970 -4.141 -1.858 1.00 0.33 C ATOM 106 O LEU A 33 6.714 -4.200 -0.892 1.00 0.36 O ATOM 107 CB LEU A 33 4.046 -2.580 -2.012 1.00 0.56 C ATOM 108 CG LEU A 33 2.636 -2.149 -1.593 1.00 0.91 C ATOM 109 CD1 LEU A 33 2.321 -0.766 -2.137 1.00 1.24 C ATOM 110 CD2 LEU A 33 1.591 -3.152 -2.062 1.00 1.62 C ATOM 0 H LEU A 33 4.494 -3.654 0.422 1.00 0.38 H new ATOM 0 HA LEU A 33 3.920 -4.703 -2.281 1.00 0.41 H new ATOM 0 HB2 LEU A 33 4.760 -1.889 -1.564 1.00 0.56 H new ATOM 0 HB3 LEU A 33 4.129 -2.468 -3.093 1.00 0.56 H new ATOM 0 HG LEU A 33 2.606 -2.115 -0.504 1.00 0.91 H new ATOM 0 HD11 LEU A 33 1.316 -0.475 -1.831 1.00 1.24 H new ATOM 0 HD12 LEU A 33 3.042 -0.048 -1.746 1.00 1.24 H new ATOM 0 HD13 LEU A 33 2.378 -0.781 -3.225 1.00 1.24 H new ATOM 0 HD21 LEU A 33 0.601 -2.819 -1.750 1.00 1.62 H new ATOM 0 HD22 LEU A 33 1.622 -3.229 -3.149 1.00 1.62 H new ATOM 0 HD23 LEU A 33 1.801 -4.128 -1.623 1.00 1.62 H new ATOM 122 N ASP A 34 6.418 -4.185 -3.103 1.00 0.33 N ATOM 123 CA ASP A 34 7.853 -4.205 -3.393 1.00 0.34 C ATOM 124 C ASP A 34 8.225 -3.006 -4.263 1.00 0.40 C ATOM 125 O ASP A 34 7.345 -2.315 -4.767 1.00 0.43 O ATOM 126 CB ASP A 34 8.279 -5.519 -4.061 1.00 0.38 C ATOM 127 CG ASP A 34 8.367 -5.423 -5.573 1.00 0.51 C ATOM 128 OD1 ASP A 34 7.336 -5.185 -6.229 1.00 0.89 O ATOM 129 OD2 ASP A 34 9.482 -5.586 -6.112 1.00 1.22 O ATOM 0 H ASP A 34 5.818 -4.208 -3.927 1.00 0.33 H new ATOM 0 HA ASP A 34 8.391 -4.137 -2.447 1.00 0.34 H new ATOM 0 HB2 ASP A 34 9.249 -5.821 -3.666 1.00 0.38 H new ATOM 0 HB3 ASP A 34 7.568 -6.301 -3.794 1.00 0.38 H new ATOM 134 N GLY A 35 9.527 -2.755 -4.412 1.00 0.47 N ATOM 135 CA GLY A 35 10.008 -1.584 -5.141 1.00 0.57 C ATOM 136 C GLY A 35 9.469 -1.461 -6.562 1.00 0.64 C ATOM 137 O GLY A 35 9.415 -0.360 -7.114 1.00 0.79 O ATOM 0 H GLY A 35 10.266 -3.349 -4.036 1.00 0.47 H new ATOM 0 HA2 GLY A 35 9.736 -0.687 -4.584 1.00 0.57 H new ATOM 0 HA3 GLY A 35 11.097 -1.618 -5.180 1.00 0.57 H new ATOM 141 N ASP A 36 9.077 -2.582 -7.157 1.00 0.58 N ATOM 142 CA ASP A 36 8.509 -2.581 -8.504 1.00 0.66 C ATOM 143 C ASP A 36 7.069 -2.095 -8.483 1.00 0.61 C ATOM 144 O ASP A 36 6.537 -1.642 -9.499 1.00 0.78 O ATOM 145 CB ASP A 36 8.563 -3.980 -9.116 1.00 0.69 C ATOM 146 CG ASP A 36 9.840 -4.239 -9.882 1.00 1.21 C ATOM 147 OD1 ASP A 36 9.785 -4.277 -11.129 1.00 1.95 O ATOM 148 OD2 ASP A 36 10.902 -4.408 -9.247 1.00 1.56 O ATOM 0 H ASP A 36 9.141 -3.505 -6.729 1.00 0.58 H new ATOM 0 HA ASP A 36 9.105 -1.902 -9.113 1.00 0.66 H new ATOM 0 HB2 ASP A 36 8.464 -4.722 -8.323 1.00 0.69 H new ATOM 0 HB3 ASP A 36 7.712 -4.112 -9.784 1.00 0.69 H new ATOM 153 N GLY A 37 6.448 -2.187 -7.321 1.00 0.51 N ATOM 154 CA GLY A 37 5.059 -1.816 -7.185 1.00 0.53 C ATOM 155 C GLY A 37 4.166 -3.026 -7.032 1.00 0.47 C ATOM 156 O GLY A 37 2.946 -2.896 -6.945 1.00 0.53 O ATOM 0 H GLY A 37 6.887 -2.516 -6.461 1.00 0.51 H new ATOM 0 HA2 GLY A 37 4.940 -1.165 -6.319 1.00 0.53 H new ATOM 0 HA3 GLY A 37 4.749 -1.244 -8.059 1.00 0.53 H new ATOM 160 N ASN A 38 4.773 -4.207 -6.990 1.00 0.40 N ATOM 161 CA ASN A 38 4.023 -5.452 -6.881 1.00 0.39 C ATOM 162 C ASN A 38 3.568 -5.684 -5.457 1.00 0.34 C ATOM 163 O ASN A 38 4.185 -5.199 -4.508 1.00 0.40 O ATOM 164 CB ASN A 38 4.861 -6.652 -7.330 1.00 0.44 C ATOM 165 CG ASN A 38 5.049 -6.719 -8.833 1.00 0.70 C ATOM 166 OD1 ASN A 38 4.213 -6.244 -9.602 1.00 1.30 O ATOM 167 ND2 ASN A 38 6.147 -7.314 -9.265 1.00 1.24 N ATOM 0 H ASN A 38 5.785 -4.328 -7.030 1.00 0.40 H new ATOM 0 HA ASN A 38 3.156 -5.357 -7.534 1.00 0.39 H new ATOM 0 HB2 ASN A 38 5.838 -6.605 -6.850 1.00 0.44 H new ATOM 0 HB3 ASN A 38 4.382 -7.570 -6.989 1.00 0.44 H new ATOM 0 HD21 ASN A 38 6.325 -7.392 -10.266 1.00 1.24 H new ATOM 0 HD22 ASN A 38 6.817 -7.696 -8.597 1.00 1.24 H new ATOM 174 N ILE A 39 2.481 -6.416 -5.316 1.00 0.32 N ATOM 175 CA ILE A 39 2.001 -6.801 -4.010 1.00 0.32 C ATOM 176 C ILE A 39 2.490 -8.208 -3.677 1.00 0.36 C ATOM 177 O ILE A 39 2.714 -9.029 -4.571 1.00 0.41 O ATOM 178 CB ILE A 39 0.677 -6.758 -3.938 1.00 0.37 C ATOM 179 CG1 ILE A 39 0.140 -5.489 -4.603 1.00 0.41 C ATOM 180 CG2 ILE A 39 0.216 -6.828 -2.483 1.00 0.43 C ATOM 181 CD1 ILE A 39 -1.362 -5.335 -4.510 1.00 0.89 C ATOM 0 H ILE A 39 1.914 -6.755 -6.093 1.00 0.32 H new ATOM 0 HA ILE A 39 2.396 -6.088 -3.286 1.00 0.32 H new ATOM 0 HB ILE A 39 0.280 -7.622 -4.471 1.00 0.37 H new ATOM 0 HG12 ILE A 39 0.613 -4.622 -4.143 1.00 0.41 H new ATOM 0 HG13 ILE A 39 0.431 -5.491 -5.654 1.00 0.41 H new ATOM 0 HG21 ILE A 39 -0.873 -6.791 -2.444 1.00 0.43 H new ATOM 0 HG22 ILE A 39 0.564 -7.759 -2.035 1.00 0.43 H new ATOM 0 HG23 ILE A 39 0.627 -5.984 -1.930 1.00 0.43 H new ATOM 0 HD11 ILE A 39 -1.664 -4.412 -5.004 1.00 0.89 H new ATOM 0 HD12 ILE A 39 -1.845 -6.182 -4.996 1.00 0.89 H new ATOM 0 HD13 ILE A 39 -1.660 -5.300 -3.462 1.00 0.89 H new ATOM 193 N LEU A 40 2.743 -8.440 -2.403 1.00 0.40 N ATOM 194 CA LEU A 40 3.180 -9.738 -1.918 1.00 0.49 C ATOM 195 C LEU A 40 2.013 -10.457 -1.276 1.00 0.56 C ATOM 196 O LEU A 40 1.771 -11.642 -1.518 1.00 0.73 O ATOM 197 CB LEU A 40 4.274 -9.571 -0.861 1.00 0.55 C ATOM 198 CG LEU A 40 5.671 -9.137 -1.355 1.00 0.59 C ATOM 199 CD1 LEU A 40 6.367 -10.272 -2.092 1.00 1.39 C ATOM 200 CD2 LEU A 40 5.596 -7.898 -2.241 1.00 1.45 C ATOM 0 H LEU A 40 2.652 -7.734 -1.673 1.00 0.40 H new ATOM 0 HA LEU A 40 3.566 -10.309 -2.763 1.00 0.49 H new ATOM 0 HB2 LEU A 40 3.930 -8.837 -0.132 1.00 0.55 H new ATOM 0 HB3 LEU A 40 4.381 -10.519 -0.333 1.00 0.55 H new ATOM 0 HG LEU A 40 6.259 -8.883 -0.473 1.00 0.59 H new ATOM 0 HD11 LEU A 40 7.349 -9.939 -2.429 1.00 1.39 H new ATOM 0 HD12 LEU A 40 6.483 -11.124 -1.422 1.00 1.39 H new ATOM 0 HD13 LEU A 40 5.768 -10.567 -2.954 1.00 1.39 H new ATOM 0 HD21 LEU A 40 6.599 -7.624 -2.569 1.00 1.45 H new ATOM 0 HD22 LEU A 40 4.975 -8.110 -3.111 1.00 1.45 H new ATOM 0 HD23 LEU A 40 5.160 -7.073 -1.677 1.00 1.45 H new ATOM 212 N GLN A 41 1.306 -9.718 -0.432 1.00 0.59 N ATOM 213 CA GLN A 41 0.204 -10.253 0.340 1.00 0.73 C ATOM 214 C GLN A 41 -0.543 -9.126 1.036 1.00 0.61 C ATOM 215 O GLN A 41 -0.007 -8.033 1.234 1.00 0.60 O ATOM 216 CB GLN A 41 0.721 -11.255 1.377 1.00 0.99 C ATOM 217 CG GLN A 41 1.808 -10.690 2.277 1.00 0.88 C ATOM 218 CD GLN A 41 2.395 -11.730 3.207 1.00 1.20 C ATOM 219 OE1 GLN A 41 3.674 -11.592 3.508 1.00 1.99 O flip ATOM 220 NE2 GLN A 41 1.707 -12.658 3.640 1.00 1.30 N flip ATOM 0 H GLN A 41 1.485 -8.728 -0.266 1.00 0.59 H new ATOM 0 HA GLN A 41 -0.479 -10.766 -0.337 1.00 0.73 H new ATOM 0 HB2 GLN A 41 -0.113 -11.590 1.994 1.00 0.99 H new ATOM 0 HB3 GLN A 41 1.108 -12.133 0.860 1.00 0.99 H new ATOM 0 HG2 GLN A 41 2.603 -10.270 1.660 1.00 0.88 H new ATOM 0 HG3 GLN A 41 1.396 -9.871 2.867 1.00 0.88 H new ATOM 0 HE21 GLN A 41 0.723 -12.726 3.382 1.00 1.30 H new ATOM 0 HE22 GLN A 41 2.123 -13.357 4.256 1.00 1.30 H new ATOM 229 N TYR A 42 -1.785 -9.402 1.376 1.00 0.68 N ATOM 230 CA TYR A 42 -2.612 -8.478 2.142 1.00 0.69 C ATOM 231 C TYR A 42 -2.858 -9.019 3.538 1.00 0.78 C ATOM 232 O TYR A 42 -2.433 -10.123 3.873 1.00 1.25 O ATOM 233 CB TYR A 42 -3.971 -8.260 1.480 1.00 0.78 C ATOM 234 CG TYR A 42 -3.984 -7.272 0.339 1.00 0.68 C ATOM 235 CD1 TYR A 42 -5.165 -6.873 -0.269 1.00 0.83 C ATOM 236 CD2 TYR A 42 -2.794 -6.761 -0.147 1.00 0.57 C ATOM 237 CE1 TYR A 42 -5.151 -5.992 -1.333 1.00 0.80 C ATOM 238 CE2 TYR A 42 -2.771 -5.884 -1.200 1.00 0.56 C ATOM 239 CZ TYR A 42 -4.064 -5.416 -1.719 1.00 0.63 C ATOM 240 OH TYR A 42 -3.932 -4.630 -2.855 1.00 0.71 O ATOM 0 H TYR A 42 -2.255 -10.273 1.131 1.00 0.68 H new ATOM 0 HA TYR A 42 -2.072 -7.532 2.185 1.00 0.69 H new ATOM 0 HB2 TYR A 42 -4.335 -9.219 1.112 1.00 0.78 H new ATOM 0 HB3 TYR A 42 -4.676 -7.922 2.239 1.00 0.78 H new ATOM 0 HD1 TYR A 42 -6.107 -7.256 0.094 1.00 0.83 H new ATOM 0 HD2 TYR A 42 -1.864 -7.059 0.313 1.00 0.57 H new ATOM 0 HE1 TYR A 42 -6.073 -5.781 -1.854 1.00 0.80 H new ATOM 0 HE2 TYR A 42 -1.839 -5.550 -1.632 1.00 0.56 H new ATOM 0 HH TYR A 42 -3.274 -3.923 -2.689 1.00 0.71 H new ATOM 250 N ASN A 43 -3.561 -8.237 4.333 1.00 0.89 N ATOM 251 CA ASN A 43 -4.015 -8.666 5.642 1.00 0.95 C ATOM 252 C ASN A 43 -5.522 -8.902 5.573 1.00 1.08 C ATOM 253 O ASN A 43 -6.130 -8.697 4.520 1.00 1.63 O ATOM 254 CB ASN A 43 -3.670 -7.585 6.678 1.00 0.96 C ATOM 255 CG ASN A 43 -3.934 -8.001 8.113 1.00 1.38 C ATOM 256 OD1 ASN A 43 -5.006 -7.748 8.663 1.00 2.13 O ATOM 257 ND2 ASN A 43 -2.953 -8.638 8.725 1.00 1.66 N ATOM 0 H ASN A 43 -3.834 -7.285 4.090 1.00 0.89 H new ATOM 0 HA ASN A 43 -3.523 -9.591 5.942 1.00 0.95 H new ATOM 0 HB2 ASN A 43 -2.618 -7.320 6.575 1.00 0.96 H new ATOM 0 HB3 ASN A 43 -4.248 -6.687 6.458 1.00 0.96 H new ATOM 0 HD21 ASN A 43 -3.067 -8.941 9.692 1.00 1.66 H new ATOM 0 HD22 ASN A 43 -2.081 -8.827 8.231 1.00 1.66 H new ATOM 264 N ALA A 44 -6.128 -9.317 6.675 1.00 1.12 N ATOM 265 CA ALA A 44 -7.577 -9.440 6.745 1.00 1.23 C ATOM 266 C ALA A 44 -8.220 -8.057 6.677 1.00 1.22 C ATOM 267 O ALA A 44 -9.435 -7.928 6.553 1.00 1.39 O ATOM 268 CB ALA A 44 -7.985 -10.158 8.020 1.00 1.48 C ATOM 0 H ALA A 44 -5.640 -9.574 7.533 1.00 1.12 H new ATOM 0 HA ALA A 44 -7.924 -10.029 5.896 1.00 1.23 H new ATOM 0 HB1 ALA A 44 -9.071 -10.242 8.058 1.00 1.48 H new ATOM 0 HB2 ALA A 44 -7.543 -11.154 8.034 1.00 1.48 H new ATOM 0 HB3 ALA A 44 -7.634 -9.593 8.884 1.00 1.48 H new ATOM 274 N ALA A 45 -7.376 -7.034 6.769 1.00 1.21 N ATOM 275 CA ALA A 45 -7.788 -5.643 6.658 1.00 1.34 C ATOM 276 C ALA A 45 -8.529 -5.372 5.354 1.00 1.26 C ATOM 277 O ALA A 45 -9.681 -4.950 5.370 1.00 1.38 O ATOM 278 CB ALA A 45 -6.568 -4.748 6.743 1.00 1.52 C ATOM 0 H ALA A 45 -6.375 -7.152 6.925 1.00 1.21 H new ATOM 0 HA ALA A 45 -8.472 -5.430 7.480 1.00 1.34 H new ATOM 0 HB1 ALA A 45 -6.875 -3.705 6.660 1.00 1.52 H new ATOM 0 HB2 ALA A 45 -6.068 -4.904 7.699 1.00 1.52 H new ATOM 0 HB3 ALA A 45 -5.882 -4.990 5.931 1.00 1.52 H new ATOM 284 N GLU A 46 -7.854 -5.609 4.233 1.00 1.18 N ATOM 285 CA GLU A 46 -8.431 -5.359 2.913 1.00 1.23 C ATOM 286 C GLU A 46 -9.609 -6.283 2.643 1.00 1.20 C ATOM 287 O GLU A 46 -10.487 -5.963 1.851 1.00 1.42 O ATOM 288 CB GLU A 46 -7.372 -5.535 1.825 1.00 1.27 C ATOM 289 CG GLU A 46 -6.428 -4.350 1.671 1.00 1.10 C ATOM 290 CD GLU A 46 -5.786 -3.922 2.973 1.00 1.31 C ATOM 291 OE1 GLU A 46 -5.136 -4.765 3.639 1.00 2.12 O ATOM 292 OE2 GLU A 46 -5.926 -2.550 3.442 1.00 1.31 O ATOM 0 H GLU A 46 -6.902 -5.976 4.211 1.00 1.18 H new ATOM 0 HA GLU A 46 -8.791 -4.330 2.897 1.00 1.23 H new ATOM 0 HB2 GLU A 46 -6.785 -6.426 2.047 1.00 1.27 H new ATOM 0 HB3 GLU A 46 -7.872 -5.712 0.873 1.00 1.27 H new ATOM 0 HG2 GLU A 46 -5.646 -4.608 0.956 1.00 1.10 H new ATOM 0 HG3 GLU A 46 -6.979 -3.508 1.252 1.00 1.10 H new ATOM 300 N GLY A 47 -9.594 -7.444 3.273 1.00 1.08 N ATOM 301 CA GLY A 47 -10.754 -8.318 3.239 1.00 1.18 C ATOM 302 C GLY A 47 -11.943 -7.707 3.966 1.00 1.25 C ATOM 303 O GLY A 47 -13.051 -7.643 3.426 1.00 1.42 O ATOM 0 H GLY A 47 -8.802 -7.801 3.808 1.00 1.08 H new ATOM 0 HA2 GLY A 47 -11.026 -8.521 2.203 1.00 1.18 H new ATOM 0 HA3 GLY A 47 -10.502 -9.275 3.695 1.00 1.18 H new ATOM 307 N ASP A 48 -11.702 -7.252 5.194 1.00 1.26 N ATOM 308 CA ASP A 48 -12.726 -6.599 6.012 1.00 1.49 C ATOM 309 C ASP A 48 -13.210 -5.322 5.334 1.00 1.53 C ATOM 310 O ASP A 48 -14.403 -5.147 5.084 1.00 1.74 O ATOM 311 CB ASP A 48 -12.161 -6.288 7.404 1.00 1.72 C ATOM 312 CG ASP A 48 -13.116 -5.506 8.284 1.00 2.01 C ATOM 313 OD1 ASP A 48 -12.680 -4.528 8.927 1.00 2.28 O ATOM 314 OD2 ASP A 48 -14.320 -5.846 8.306 1.00 2.35 O ATOM 0 H ASP A 48 -10.793 -7.325 5.651 1.00 1.26 H new ATOM 0 HA ASP A 48 -13.576 -7.272 6.121 1.00 1.49 H new ATOM 0 HB2 ASP A 48 -11.905 -7.224 7.901 1.00 1.72 H new ATOM 0 HB3 ASP A 48 -11.236 -5.723 7.294 1.00 1.72 H new ATOM 319 N ILE A 49 -12.273 -4.441 5.023 1.00 1.50 N ATOM 320 CA ILE A 49 -12.567 -3.251 4.244 1.00 1.74 C ATOM 321 C ILE A 49 -12.365 -3.598 2.775 1.00 1.73 C ATOM 322 O ILE A 49 -11.442 -3.115 2.123 1.00 2.08 O ATOM 323 CB ILE A 49 -11.773 -2.248 4.566 1.00 1.98 C ATOM 324 CG1 ILE A 49 -11.597 -2.148 6.079 1.00 2.10 C ATOM 325 CG2 ILE A 49 -12.311 -0.933 3.999 1.00 2.43 C ATOM 326 CD1 ILE A 49 -10.733 -0.989 6.527 1.00 2.59 C ATOM 0 H ILE A 49 -11.296 -4.530 5.301 1.00 1.50 H new ATOM 0 HA ILE A 49 -13.591 -2.937 4.445 1.00 1.74 H new ATOM 0 HB ILE A 49 -10.794 -2.440 4.127 1.00 1.98 H new ATOM 0 HG12 ILE A 49 -12.579 -2.055 6.543 1.00 2.10 H new ATOM 0 HG13 ILE A 49 -11.158 -3.076 6.445 1.00 2.10 H new ATOM 0 HG21 ILE A 49 -11.643 -0.117 4.275 1.00 2.43 H new ATOM 0 HG22 ILE A 49 -12.370 -1.002 2.913 1.00 2.43 H new ATOM 0 HG23 ILE A 49 -13.304 -0.741 4.405 1.00 2.43 H new ATOM 0 HD11 ILE A 49 -10.659 -0.990 7.614 1.00 2.59 H new ATOM 0 HD12 ILE A 49 -9.737 -1.089 6.095 1.00 2.59 H new ATOM 0 HD13 ILE A 49 -11.180 -0.052 6.194 1.00 2.59 H new ATOM 338 N THR A 50 -13.256 -4.460 2.302 1.00 1.71 N ATOM 339 CA THR A 50 -13.168 -5.135 1.007 1.00 1.95 C ATOM 340 C THR A 50 -12.577 -4.283 -0.114 1.00 1.90 C ATOM 341 O THR A 50 -13.285 -3.580 -0.843 1.00 2.37 O ATOM 342 CB THR A 50 -14.352 -5.569 0.645 1.00 2.44 C ATOM 343 OG1 THR A 50 -14.944 -6.289 1.741 1.00 3.41 O ATOM 344 CG2 THR A 50 -14.244 -6.479 -0.571 1.00 2.45 C ATOM 0 H THR A 50 -14.091 -4.720 2.826 1.00 1.71 H new ATOM 0 HA THR A 50 -12.476 -5.963 1.157 1.00 1.95 H new ATOM 0 HB THR A 50 -14.977 -4.716 0.379 1.00 2.44 H new ATOM 0 HG1 THR A 50 -14.241 -6.736 2.257 1.00 3.41 H new ATOM 0 HG21 THR A 50 -15.237 -6.827 -0.854 1.00 2.45 H new ATOM 0 HG22 THR A 50 -13.803 -5.927 -1.401 1.00 2.45 H new ATOM 0 HG23 THR A 50 -13.614 -7.335 -0.330 1.00 2.45 H new ATOM 352 N GLY A 51 -11.270 -4.382 -0.239 1.00 1.87 N ATOM 353 CA GLY A 51 -10.578 -3.862 -1.393 1.00 2.32 C ATOM 354 C GLY A 51 -10.169 -4.989 -2.317 1.00 1.77 C ATOM 355 O GLY A 51 -10.589 -5.039 -3.473 1.00 2.08 O ATOM 0 H GLY A 51 -10.664 -4.822 0.453 1.00 1.87 H new ATOM 0 HA2 GLY A 51 -11.222 -3.162 -1.926 1.00 2.32 H new ATOM 0 HA3 GLY A 51 -9.696 -3.306 -1.076 1.00 2.32 H new ATOM 359 N ARG A 52 -9.366 -5.912 -1.788 1.00 1.46 N ATOM 360 CA ARG A 52 -8.920 -7.089 -2.532 1.00 1.09 C ATOM 361 C ARG A 52 -8.696 -8.261 -1.588 1.00 1.03 C ATOM 362 O ARG A 52 -8.677 -8.093 -0.367 1.00 1.29 O ATOM 363 CB ARG A 52 -7.603 -6.818 -3.260 1.00 1.22 C ATOM 364 CG ARG A 52 -7.684 -5.778 -4.360 1.00 1.55 C ATOM 365 CD ARG A 52 -8.524 -6.255 -5.533 1.00 1.67 C ATOM 366 NE ARG A 52 -8.371 -5.375 -6.693 1.00 1.96 N ATOM 367 CZ ARG A 52 -9.258 -5.276 -7.684 1.00 2.47 C ATOM 368 NH1 ARG A 52 -10.388 -5.971 -7.648 1.00 2.72 N ATOM 369 NH2 ARG A 52 -9.008 -4.475 -8.714 1.00 3.14 N ATOM 0 H ARG A 52 -9.007 -5.865 -0.834 1.00 1.46 H new ATOM 0 HA ARG A 52 -9.700 -7.324 -3.256 1.00 1.09 H new ATOM 0 HB2 ARG A 52 -6.861 -6.496 -2.530 1.00 1.22 H new ATOM 0 HB3 ARG A 52 -7.243 -7.753 -3.690 1.00 1.22 H new ATOM 0 HG2 ARG A 52 -8.110 -4.858 -3.959 1.00 1.55 H new ATOM 0 HG3 ARG A 52 -6.679 -5.538 -4.707 1.00 1.55 H new ATOM 0 HD2 ARG A 52 -8.231 -7.270 -5.803 1.00 1.67 H new ATOM 0 HD3 ARG A 52 -9.573 -6.293 -5.239 1.00 1.67 H new ATOM 0 HE ARG A 52 -7.531 -4.800 -6.747 1.00 1.96 H new ATOM 0 HH11 ARG A 52 -10.583 -6.586 -6.858 1.00 2.72 H new ATOM 0 HH12 ARG A 52 -11.061 -5.890 -8.410 1.00 2.72 H new ATOM 0 HH21 ARG A 52 -8.141 -3.939 -8.745 1.00 3.14 H new ATOM 0 HH22 ARG A 52 -9.683 -4.396 -9.474 1.00 3.14 H new ATOM 383 N ASP A 53 -8.515 -9.439 -2.163 1.00 0.94 N ATOM 384 CA ASP A 53 -8.163 -10.623 -1.394 1.00 1.00 C ATOM 385 C ASP A 53 -6.648 -10.750 -1.309 1.00 0.89 C ATOM 386 O ASP A 53 -5.944 -10.481 -2.285 1.00 0.82 O ATOM 387 CB ASP A 53 -8.746 -11.885 -2.032 1.00 1.18 C ATOM 388 CG ASP A 53 -10.259 -11.886 -2.063 1.00 1.55 C ATOM 389 OD1 ASP A 53 -10.876 -12.403 -1.108 1.00 1.90 O ATOM 390 OD2 ASP A 53 -10.840 -11.353 -3.035 1.00 2.10 O ATOM 0 H ASP A 53 -8.607 -9.602 -3.166 1.00 0.94 H new ATOM 0 HA ASP A 53 -8.581 -10.516 -0.393 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -8.367 -11.980 -3.050 1.00 1.18 H new ATOM 0 HB3 ASP A 53 -8.399 -12.758 -1.480 1.00 1.18 H new ATOM 395 N PRO A 54 -6.129 -11.168 -0.146 1.00 1.02 N ATOM 396 CA PRO A 54 -4.682 -11.267 0.101 1.00 1.10 C ATOM 397 C PRO A 54 -3.937 -12.154 -0.899 1.00 1.03 C ATOM 398 O PRO A 54 -2.741 -11.972 -1.121 1.00 1.68 O ATOM 399 CB PRO A 54 -4.603 -11.873 1.506 1.00 1.35 C ATOM 400 CG PRO A 54 -5.900 -11.528 2.144 1.00 1.43 C ATOM 401 CD PRO A 54 -6.917 -11.552 1.040 1.00 1.25 C ATOM 0 HA PRO A 54 -4.204 -10.293 -0.002 1.00 1.10 H new ATOM 0 HB2 PRO A 54 -4.458 -12.953 1.463 1.00 1.35 H new ATOM 0 HB3 PRO A 54 -3.764 -11.461 2.067 1.00 1.35 H new ATOM 0 HG2 PRO A 54 -6.154 -12.244 2.926 1.00 1.43 H new ATOM 0 HG3 PRO A 54 -5.856 -10.545 2.614 1.00 1.43 H new ATOM 0 HD2 PRO A 54 -7.364 -12.539 0.925 1.00 1.25 H new ATOM 0 HD3 PRO A 54 -7.732 -10.853 1.227 1.00 1.25 H new ATOM 409 N LYS A 55 -4.636 -13.110 -1.496 1.00 0.89 N ATOM 410 CA LYS A 55 -4.008 -14.039 -2.432 1.00 0.96 C ATOM 411 C LYS A 55 -4.338 -13.706 -3.882 1.00 0.82 C ATOM 412 O LYS A 55 -3.982 -14.454 -4.790 1.00 0.92 O ATOM 413 CB LYS A 55 -4.426 -15.476 -2.115 1.00 1.26 C ATOM 414 CG LYS A 55 -3.732 -16.047 -0.890 1.00 1.53 C ATOM 415 CD LYS A 55 -2.248 -16.244 -1.146 1.00 2.06 C ATOM 416 CE LYS A 55 -1.498 -16.611 0.125 1.00 2.89 C ATOM 417 NZ LYS A 55 -1.418 -15.473 1.076 1.00 3.61 N ATOM 0 H LYS A 55 -5.634 -13.264 -1.351 1.00 0.89 H new ATOM 0 HA LYS A 55 -2.929 -13.940 -2.311 1.00 0.96 H new ATOM 0 HB2 LYS A 55 -5.505 -15.508 -1.961 1.00 1.26 H new ATOM 0 HB3 LYS A 55 -4.208 -16.109 -2.975 1.00 1.26 H new ATOM 0 HG2 LYS A 55 -3.872 -15.376 -0.043 1.00 1.53 H new ATOM 0 HG3 LYS A 55 -4.188 -17.000 -0.621 1.00 1.53 H new ATOM 0 HD2 LYS A 55 -2.109 -17.029 -1.889 1.00 2.06 H new ATOM 0 HD3 LYS A 55 -1.827 -15.330 -1.565 1.00 2.06 H new ATOM 0 HE2 LYS A 55 -1.995 -17.452 0.608 1.00 2.89 H new ATOM 0 HE3 LYS A 55 -0.491 -16.940 -0.131 1.00 2.89 H new ATOM 0 HZ1 LYS A 55 -0.722 -15.689 1.818 1.00 3.61 H new ATOM 0 HZ2 LYS A 55 -1.125 -14.615 0.567 1.00 3.61 H new ATOM 0 HZ3 LYS A 55 -2.350 -15.317 1.510 1.00 3.61 H new ATOM 431 N GLN A 56 -5.007 -12.582 -4.106 1.00 0.72 N ATOM 432 CA GLN A 56 -5.349 -12.167 -5.465 1.00 0.73 C ATOM 433 C GLN A 56 -4.416 -11.058 -5.941 1.00 0.63 C ATOM 434 O GLN A 56 -4.601 -10.490 -7.020 1.00 0.79 O ATOM 435 CB GLN A 56 -6.801 -11.692 -5.541 1.00 0.87 C ATOM 436 CG GLN A 56 -7.815 -12.751 -5.136 1.00 1.32 C ATOM 437 CD GLN A 56 -7.742 -14.009 -5.985 1.00 1.92 C ATOM 438 OE1 GLN A 56 -7.381 -13.965 -7.159 1.00 2.50 O ATOM 439 NE2 GLN A 56 -8.097 -15.140 -5.394 1.00 2.41 N ATOM 0 H GLN A 56 -5.322 -11.945 -3.374 1.00 0.72 H new ATOM 0 HA GLN A 56 -5.230 -13.032 -6.117 1.00 0.73 H new ATOM 0 HB2 GLN A 56 -6.923 -10.821 -4.897 1.00 0.87 H new ATOM 0 HB3 GLN A 56 -7.015 -11.368 -6.560 1.00 0.87 H new ATOM 0 HG2 GLN A 56 -7.655 -13.017 -4.091 1.00 1.32 H new ATOM 0 HG3 GLN A 56 -8.818 -12.330 -5.208 1.00 1.32 H new ATOM 0 HE21 GLN A 56 -8.391 -15.135 -4.417 1.00 2.41 H new ATOM 0 HE22 GLN A 56 -8.077 -16.016 -5.916 1.00 2.41 H new ATOM 448 N VAL A 57 -3.410 -10.756 -5.132 1.00 0.52 N ATOM 449 CA VAL A 57 -2.467 -9.689 -5.441 1.00 0.48 C ATOM 450 C VAL A 57 -1.048 -10.221 -5.592 1.00 0.55 C ATOM 451 O VAL A 57 -0.086 -9.608 -5.135 1.00 0.97 O ATOM 452 CB VAL A 57 -2.486 -8.736 -4.518 1.00 0.52 C ATOM 453 CG1 VAL A 57 -3.757 -7.908 -4.648 1.00 0.62 C ATOM 454 CG2 VAL A 57 -2.374 -9.312 -3.111 1.00 0.58 C ATOM 0 H VAL A 57 -3.225 -11.238 -4.252 1.00 0.52 H new ATOM 0 HA VAL A 57 -2.785 -9.262 -6.392 1.00 0.48 H new ATOM 0 HB VAL A 57 -1.620 -8.095 -4.683 1.00 0.52 H new ATOM 0 HG11 VAL A 57 -3.763 -7.129 -3.886 1.00 0.62 H new ATOM 0 HG12 VAL A 57 -3.793 -7.450 -5.636 1.00 0.62 H new ATOM 0 HG13 VAL A 57 -4.626 -8.552 -4.515 1.00 0.62 H new ATOM 0 HG21 VAL A 57 -2.393 -8.501 -2.383 1.00 0.58 H new ATOM 0 HG22 VAL A 57 -3.211 -9.985 -2.926 1.00 0.58 H new ATOM 0 HG23 VAL A 57 -1.438 -9.862 -3.017 1.00 0.58 H new ATOM 464 N ILE A 58 -0.916 -11.367 -6.239 1.00 0.51 N ATOM 465 CA ILE A 58 0.387 -11.994 -6.392 1.00 0.57 C ATOM 466 C ILE A 58 1.057 -11.533 -7.681 1.00 0.57 C ATOM 467 O ILE A 58 0.590 -11.850 -8.777 1.00 0.66 O ATOM 468 CB ILE A 58 0.292 -13.320 -6.389 1.00 0.70 C ATOM 469 CG1 ILE A 58 -0.478 -13.820 -5.160 1.00 0.93 C ATOM 470 CG2 ILE A 58 1.679 -13.961 -6.447 1.00 1.09 C ATOM 471 CD1 ILE A 58 0.177 -13.474 -3.838 1.00 1.01 C ATOM 0 H ILE A 58 -1.689 -11.879 -6.664 1.00 0.51 H new ATOM 0 HA ILE A 58 0.996 -11.690 -5.541 1.00 0.57 H new ATOM 0 HB ILE A 58 -0.265 -13.615 -7.278 1.00 0.70 H new ATOM 0 HG12 ILE A 58 -1.483 -13.398 -5.177 1.00 0.93 H new ATOM 0 HG13 ILE A 58 -0.586 -14.903 -5.228 1.00 0.93 H new ATOM 0 HG21 ILE A 58 1.579 -15.046 -6.444 1.00 1.09 H new ATOM 0 HG22 ILE A 58 2.187 -13.646 -7.358 1.00 1.09 H new ATOM 0 HG23 ILE A 58 2.261 -13.648 -5.580 1.00 1.09 H new ATOM 0 HD11 ILE A 58 -0.429 -13.862 -3.019 1.00 1.01 H new ATOM 0 HD12 ILE A 58 1.171 -13.919 -3.797 1.00 1.01 H new ATOM 0 HD13 ILE A 58 0.260 -12.391 -3.746 1.00 1.01 H new ATOM 483 N GLY A 59 2.144 -10.773 -7.544 1.00 0.59 N ATOM 484 CA GLY A 59 2.817 -10.225 -8.704 1.00 0.66 C ATOM 485 C GLY A 59 1.993 -9.131 -9.340 1.00 0.56 C ATOM 486 O GLY A 59 2.266 -8.690 -10.457 1.00 0.65 O ATOM 0 H GLY A 59 2.567 -10.529 -6.649 1.00 0.59 H new ATOM 0 HA2 GLY A 59 3.790 -9.829 -8.412 1.00 0.66 H new ATOM 0 HA3 GLY A 59 3.000 -11.017 -9.431 1.00 0.66 H new ATOM 490 N LYS A 60 0.969 -8.711 -8.617 1.00 0.48 N ATOM 491 CA LYS A 60 0.054 -7.707 -9.074 1.00 0.45 C ATOM 492 C LYS A 60 0.578 -6.336 -8.701 1.00 0.38 C ATOM 493 O LYS A 60 0.817 -6.062 -7.531 1.00 0.43 O ATOM 494 CB LYS A 60 -1.286 -7.958 -8.402 1.00 0.49 C ATOM 495 CG LYS A 60 -2.460 -8.059 -9.356 1.00 0.80 C ATOM 496 CD LYS A 60 -2.140 -8.899 -10.582 1.00 1.12 C ATOM 497 CE LYS A 60 -3.341 -9.003 -11.510 1.00 1.27 C ATOM 498 NZ LYS A 60 -2.994 -9.675 -12.789 1.00 1.82 N ATOM 0 H LYS A 60 0.756 -9.069 -7.686 1.00 0.48 H new ATOM 0 HA LYS A 60 -0.057 -7.750 -10.158 1.00 0.45 H new ATOM 0 HB2 LYS A 60 -1.222 -8.881 -7.826 1.00 0.49 H new ATOM 0 HB3 LYS A 60 -1.479 -7.153 -7.693 1.00 0.49 H new ATOM 0 HG2 LYS A 60 -3.313 -8.493 -8.834 1.00 0.80 H new ATOM 0 HG3 LYS A 60 -2.755 -7.058 -9.672 1.00 0.80 H new ATOM 0 HD2 LYS A 60 -1.300 -8.458 -11.119 1.00 1.12 H new ATOM 0 HD3 LYS A 60 -1.831 -9.897 -10.271 1.00 1.12 H new ATOM 0 HE2 LYS A 60 -4.137 -9.557 -11.013 1.00 1.27 H new ATOM 0 HE3 LYS A 60 -3.728 -8.005 -11.717 1.00 1.27 H new ATOM 0 HZ1 LYS A 60 -3.838 -9.727 -13.394 1.00 1.82 H new ATOM 0 HZ2 LYS A 60 -2.252 -9.133 -13.276 1.00 1.82 H new ATOM 0 HZ3 LYS A 60 -2.649 -10.636 -12.594 1.00 1.82 H new ATOM 512 N ASN A 61 0.781 -5.490 -9.690 1.00 0.43 N ATOM 513 CA ASN A 61 1.255 -4.145 -9.430 1.00 0.42 C ATOM 514 C ASN A 61 0.138 -3.328 -8.792 1.00 0.39 C ATOM 515 O ASN A 61 -0.878 -3.037 -9.427 1.00 0.42 O ATOM 516 CB ASN A 61 1.756 -3.491 -10.723 1.00 0.52 C ATOM 517 CG ASN A 61 2.458 -2.159 -10.497 1.00 0.58 C ATOM 518 OD1 ASN A 61 2.126 -1.404 -9.586 1.00 0.72 O ATOM 519 ND2 ASN A 61 3.439 -1.863 -11.331 1.00 0.71 N ATOM 0 H ASN A 61 0.627 -5.707 -10.675 1.00 0.43 H new ATOM 0 HA ASN A 61 2.096 -4.185 -8.737 1.00 0.42 H new ATOM 0 HB2 ASN A 61 2.442 -4.174 -11.224 1.00 0.52 H new ATOM 0 HB3 ASN A 61 0.911 -3.338 -11.395 1.00 0.52 H new ATOM 0 HD21 ASN A 61 3.947 -0.984 -11.230 1.00 0.71 H new ATOM 0 HD22 ASN A 61 3.688 -2.513 -12.076 1.00 0.71 H new ATOM 526 N PHE A 62 0.327 -3.000 -7.521 1.00 0.38 N ATOM 527 CA PHE A 62 -0.638 -2.230 -6.753 1.00 0.40 C ATOM 528 C PHE A 62 -0.980 -0.930 -7.466 1.00 0.47 C ATOM 529 O PHE A 62 -2.136 -0.543 -7.545 1.00 0.70 O ATOM 530 CB PHE A 62 -0.071 -1.931 -5.361 1.00 0.43 C ATOM 531 CG PHE A 62 -1.009 -1.177 -4.458 1.00 0.45 C ATOM 532 CD1 PHE A 62 -0.813 0.170 -4.209 1.00 0.51 C ATOM 533 CD2 PHE A 62 -2.093 -1.814 -3.875 1.00 0.51 C ATOM 534 CE1 PHE A 62 -1.681 0.871 -3.391 1.00 0.55 C ATOM 535 CE2 PHE A 62 -2.963 -1.120 -3.055 1.00 0.56 C ATOM 536 CZ PHE A 62 -2.730 0.206 -2.769 1.00 0.53 C ATOM 0 H PHE A 62 1.159 -3.263 -6.992 1.00 0.38 H new ATOM 0 HA PHE A 62 -1.551 -2.817 -6.653 1.00 0.40 H new ATOM 0 HB2 PHE A 62 0.198 -2.872 -4.881 1.00 0.43 H new ATOM 0 HB3 PHE A 62 0.848 -1.356 -5.472 1.00 0.43 H new ATOM 0 HD1 PHE A 62 0.027 0.680 -4.658 1.00 0.51 H new ATOM 0 HD2 PHE A 62 -2.260 -2.864 -4.063 1.00 0.51 H new ATOM 0 HE1 PHE A 62 -1.544 1.931 -3.237 1.00 0.55 H new ATOM 0 HE2 PHE A 62 -3.826 -1.618 -2.639 1.00 0.56 H new ATOM 0 HZ PHE A 62 -3.360 0.727 -2.064 1.00 0.53 H new ATOM 546 N PHE A 63 0.027 -0.292 -8.030 1.00 0.46 N ATOM 547 CA PHE A 63 -0.145 1.009 -8.661 1.00 0.55 C ATOM 548 C PHE A 63 -0.598 0.853 -10.110 1.00 0.66 C ATOM 549 O PHE A 63 -0.631 1.821 -10.870 1.00 0.91 O ATOM 550 CB PHE A 63 1.167 1.792 -8.599 1.00 0.57 C ATOM 551 CG PHE A 63 1.745 1.865 -7.216 1.00 0.57 C ATOM 552 CD1 PHE A 63 2.623 0.891 -6.765 1.00 0.82 C ATOM 553 CD2 PHE A 63 1.404 2.899 -6.363 1.00 0.77 C ATOM 554 CE1 PHE A 63 3.147 0.949 -5.488 1.00 1.10 C ATOM 555 CE2 PHE A 63 1.926 2.963 -5.086 1.00 1.04 C ATOM 556 CZ PHE A 63 2.798 1.987 -4.649 1.00 1.16 C ATOM 0 H PHE A 63 0.980 -0.654 -8.066 1.00 0.46 H new ATOM 0 HA PHE A 63 -0.916 1.558 -8.121 1.00 0.55 H new ATOM 0 HB2 PHE A 63 1.893 1.326 -9.265 1.00 0.57 H new ATOM 0 HB3 PHE A 63 0.997 2.803 -8.969 1.00 0.57 H new ATOM 0 HD1 PHE A 63 2.900 0.078 -7.419 1.00 0.82 H new ATOM 0 HD2 PHE A 63 0.721 3.665 -6.700 1.00 0.77 H new ATOM 0 HE1 PHE A 63 3.828 0.183 -5.147 1.00 1.10 H new ATOM 0 HE2 PHE A 63 1.652 3.776 -4.430 1.00 1.04 H new ATOM 0 HZ PHE A 63 3.207 2.036 -3.651 1.00 1.16 H new ATOM 566 N LYS A 64 -0.943 -0.366 -10.490 1.00 0.57 N ATOM 567 CA LYS A 64 -1.374 -0.641 -11.850 1.00 0.72 C ATOM 568 C LYS A 64 -2.747 -1.304 -11.857 1.00 0.72 C ATOM 569 O LYS A 64 -3.712 -0.750 -12.388 1.00 0.90 O ATOM 570 CB LYS A 64 -0.358 -1.543 -12.549 1.00 0.82 C ATOM 571 CG LYS A 64 -0.609 -1.723 -14.036 1.00 1.56 C ATOM 572 CD LYS A 64 -0.279 -0.461 -14.812 1.00 2.11 C ATOM 573 CE LYS A 64 -0.486 -0.663 -16.303 1.00 2.85 C ATOM 574 NZ LYS A 64 0.068 0.461 -17.105 1.00 3.58 N ATOM 0 H LYS A 64 -0.933 -1.180 -9.876 1.00 0.57 H new ATOM 0 HA LYS A 64 -1.443 0.305 -12.387 1.00 0.72 H new ATOM 0 HB2 LYS A 64 0.639 -1.127 -12.408 1.00 0.82 H new ATOM 0 HB3 LYS A 64 -0.366 -2.522 -12.069 1.00 0.82 H new ATOM 0 HG2 LYS A 64 -0.006 -2.550 -14.410 1.00 1.56 H new ATOM 0 HG3 LYS A 64 -1.653 -1.990 -14.200 1.00 1.56 H new ATOM 0 HD2 LYS A 64 -0.907 0.358 -14.463 1.00 2.11 H new ATOM 0 HD3 LYS A 64 0.755 -0.174 -14.621 1.00 2.11 H new ATOM 0 HE2 LYS A 64 -0.012 -1.595 -16.611 1.00 2.85 H new ATOM 0 HE3 LYS A 64 -1.551 -0.764 -16.510 1.00 2.85 H new ATOM 0 HZ1 LYS A 64 -0.096 0.280 -18.116 1.00 3.58 H new ATOM 0 HZ2 LYS A 64 -0.402 1.347 -16.831 1.00 3.58 H new ATOM 0 HZ3 LYS A 64 1.090 0.542 -16.929 1.00 3.58 H new ATOM 588 N ASP A 65 -2.834 -2.484 -11.254 1.00 0.60 N ATOM 589 CA ASP A 65 -4.055 -3.281 -11.320 1.00 0.69 C ATOM 590 C ASP A 65 -4.849 -3.225 -10.021 1.00 0.74 C ATOM 591 O ASP A 65 -6.061 -3.449 -10.020 1.00 1.10 O ATOM 592 CB ASP A 65 -3.721 -4.750 -11.616 1.00 0.79 C ATOM 593 CG ASP A 65 -3.108 -4.962 -12.983 1.00 1.38 C ATOM 594 OD1 ASP A 65 -3.855 -4.951 -13.980 1.00 1.50 O ATOM 595 OD2 ASP A 65 -1.872 -5.122 -13.069 1.00 2.20 O ATOM 0 H ASP A 65 -2.079 -2.909 -10.716 1.00 0.60 H new ATOM 0 HA ASP A 65 -4.660 -2.856 -12.121 1.00 0.69 H new ATOM 0 HB2 ASP A 65 -3.032 -5.119 -10.856 1.00 0.79 H new ATOM 0 HB3 ASP A 65 -4.631 -5.345 -11.538 1.00 0.79 H new ATOM 600 N VAL A 66 -4.186 -2.909 -8.916 1.00 0.70 N ATOM 601 CA VAL A 66 -4.830 -3.036 -7.612 1.00 0.82 C ATOM 602 C VAL A 66 -5.045 -1.671 -6.949 1.00 0.70 C ATOM 603 O VAL A 66 -5.380 -1.594 -5.768 1.00 0.80 O ATOM 604 CB VAL A 66 -4.114 -3.807 -6.798 1.00 1.05 C ATOM 605 CG1 VAL A 66 -4.999 -4.432 -5.731 1.00 1.45 C ATOM 606 CG2 VAL A 66 -3.356 -4.894 -7.552 1.00 1.77 C ATOM 0 H VAL A 66 -3.224 -2.570 -8.893 1.00 0.70 H new ATOM 0 HA VAL A 66 -5.802 -3.497 -7.787 1.00 0.82 H new ATOM 0 HB VAL A 66 -3.377 -3.163 -6.319 1.00 1.05 H new ATOM 0 HG11 VAL A 66 -4.393 -5.058 -5.077 1.00 1.45 H new ATOM 0 HG12 VAL A 66 -5.472 -3.645 -5.144 1.00 1.45 H new ATOM 0 HG13 VAL A 66 -5.767 -5.041 -6.207 1.00 1.45 H new ATOM 0 HG21 VAL A 66 -2.786 -5.497 -6.845 1.00 1.77 H new ATOM 0 HG22 VAL A 66 -4.064 -5.530 -8.083 1.00 1.77 H new ATOM 0 HG23 VAL A 66 -2.675 -4.433 -8.267 1.00 1.77 H new ATOM 616 N ALA A 67 -4.890 -0.608 -7.738 1.00 0.56 N ATOM 617 CA ALA A 67 -5.042 0.771 -7.258 1.00 0.53 C ATOM 618 C ALA A 67 -4.503 1.752 -8.293 1.00 0.49 C ATOM 619 O ALA A 67 -3.374 2.233 -8.183 1.00 0.61 O ATOM 620 CB ALA A 67 -4.328 0.993 -5.931 1.00 0.60 C ATOM 0 H ALA A 67 -4.656 -0.675 -8.728 1.00 0.56 H new ATOM 0 HA ALA A 67 -6.107 0.944 -7.103 1.00 0.53 H new ATOM 0 HB1 ALA A 67 -4.466 2.026 -5.612 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -4.742 0.322 -5.178 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -3.264 0.790 -6.052 1.00 0.60 H new ATOM 626 N PRO A 68 -5.291 2.038 -9.334 1.00 0.44 N ATOM 627 CA PRO A 68 -4.887 2.951 -10.407 1.00 0.47 C ATOM 628 C PRO A 68 -4.746 4.398 -9.939 1.00 0.55 C ATOM 629 O PRO A 68 -4.115 5.211 -10.613 1.00 0.81 O ATOM 630 CB PRO A 68 -6.020 2.831 -11.438 1.00 0.56 C ATOM 631 CG PRO A 68 -6.764 1.596 -11.060 1.00 0.69 C ATOM 632 CD PRO A 68 -6.626 1.477 -9.572 1.00 0.47 C ATOM 0 HA PRO A 68 -3.905 2.688 -10.799 1.00 0.47 H new ATOM 0 HB2 PRO A 68 -6.670 3.706 -11.412 1.00 0.56 H new ATOM 0 HB3 PRO A 68 -5.624 2.758 -12.451 1.00 0.56 H new ATOM 0 HG2 PRO A 68 -7.812 1.666 -11.351 1.00 0.69 H new ATOM 0 HG3 PRO A 68 -6.351 0.721 -11.562 1.00 0.69 H new ATOM 0 HD2 PRO A 68 -7.401 2.035 -9.046 1.00 0.47 H new ATOM 0 HD3 PRO A 68 -6.697 0.442 -9.239 1.00 0.47 H new ATOM 640 N CYS A 69 -5.320 4.724 -8.781 1.00 0.51 N ATOM 641 CA CYS A 69 -5.245 6.090 -8.277 1.00 0.61 C ATOM 642 C CYS A 69 -3.862 6.362 -7.695 1.00 0.59 C ATOM 643 O CYS A 69 -3.256 7.382 -8.027 1.00 0.81 O ATOM 644 CB CYS A 69 -6.334 6.378 -7.230 1.00 0.85 C ATOM 645 SG CYS A 69 -6.043 5.676 -5.566 1.00 0.81 S ATOM 0 H CYS A 69 -5.832 4.073 -8.186 1.00 0.51 H new ATOM 0 HA CYS A 69 -5.418 6.761 -9.119 1.00 0.61 H new ATOM 0 HB2 CYS A 69 -6.443 7.458 -7.134 1.00 0.85 H new ATOM 0 HB3 CYS A 69 -7.283 5.994 -7.605 1.00 0.85 H new ATOM 0 HG CYS A 69 -5.024 4.870 -5.607 1.00 0.81 H new ATOM 650 N THR A 70 -3.225 5.289 -7.243 1.00 0.61 N ATOM 651 CA THR A 70 -2.071 5.415 -6.372 1.00 0.58 C ATOM 652 C THR A 70 -0.818 5.735 -7.187 1.00 0.55 C ATOM 653 O THR A 70 0.064 6.457 -6.731 1.00 0.64 O ATOM 654 CB THR A 70 -1.900 4.302 -5.698 1.00 0.63 C ATOM 655 OG1 THR A 70 -3.185 3.765 -5.354 1.00 1.33 O ATOM 656 CG2 THR A 70 -1.094 4.540 -4.429 1.00 1.07 C ATOM 0 H THR A 70 -3.488 4.329 -7.465 1.00 0.61 H new ATOM 0 HA THR A 70 -2.246 6.233 -5.673 1.00 0.58 H new ATOM 0 HB THR A 70 -1.347 3.600 -6.322 1.00 0.63 H new ATOM 0 HG1 THR A 70 -3.098 3.188 -4.567 1.00 1.33 H new ATOM 0 HG21 THR A 70 -0.971 3.598 -3.894 1.00 1.07 H new ATOM 0 HG22 THR A 70 -0.114 4.940 -4.690 1.00 1.07 H new ATOM 0 HG23 THR A 70 -1.619 5.252 -3.793 1.00 1.07 H new ATOM 664 N ASP A 71 -0.762 5.232 -8.414 1.00 0.55 N ATOM 665 CA ASP A 71 0.309 5.602 -9.335 1.00 0.63 C ATOM 666 C ASP A 71 0.213 7.091 -9.641 1.00 0.70 C ATOM 667 O ASP A 71 -0.614 7.502 -10.454 1.00 0.88 O ATOM 668 CB ASP A 71 0.185 4.816 -10.638 1.00 0.76 C ATOM 669 CG ASP A 71 1.317 5.092 -11.612 1.00 0.96 C ATOM 670 OD1 ASP A 71 1.343 6.188 -12.219 1.00 1.85 O ATOM 671 OD2 ASP A 71 2.173 4.201 -11.800 1.00 1.34 O ATOM 0 H ASP A 71 -1.440 4.571 -8.794 1.00 0.55 H new ATOM 0 HA ASP A 71 1.269 5.373 -8.872 1.00 0.63 H new ATOM 0 HB2 ASP A 71 0.161 3.750 -10.411 1.00 0.76 H new ATOM 0 HB3 ASP A 71 -0.764 5.062 -11.114 1.00 0.76 H new ATOM 676 N SER A 72 1.023 7.903 -8.973 1.00 0.66 N ATOM 677 CA SER A 72 0.929 9.342 -9.136 1.00 0.77 C ATOM 678 C SER A 72 2.126 10.016 -8.467 1.00 0.76 C ATOM 679 O SER A 72 2.674 9.475 -7.504 1.00 0.71 O ATOM 680 CB SER A 72 -0.402 9.833 -8.539 1.00 0.88 C ATOM 681 OG SER A 72 -0.700 11.163 -8.928 1.00 1.56 O ATOM 0 H SER A 72 1.743 7.591 -8.321 1.00 0.66 H new ATOM 0 HA SER A 72 0.948 9.603 -10.194 1.00 0.77 H new ATOM 0 HB2 SER A 72 -1.208 9.173 -8.859 1.00 0.88 H new ATOM 0 HB3 SER A 72 -0.355 9.775 -7.452 1.00 0.88 H new ATOM 0 HG SER A 72 -0.603 11.759 -8.156 1.00 1.56 H new ATOM 687 N PRO A 73 2.566 11.177 -9.001 1.00 0.90 N ATOM 688 CA PRO A 73 3.713 11.948 -8.500 1.00 0.99 C ATOM 689 C PRO A 73 3.841 11.981 -6.974 1.00 0.96 C ATOM 690 O PRO A 73 4.940 11.843 -6.439 1.00 1.05 O ATOM 691 CB PRO A 73 3.454 13.367 -9.037 1.00 1.13 C ATOM 692 CG PRO A 73 2.221 13.284 -9.887 1.00 1.17 C ATOM 693 CD PRO A 73 1.995 11.830 -10.181 1.00 1.05 C ATOM 0 HA PRO A 73 4.648 11.495 -8.831 1.00 0.99 H new ATOM 0 HB2 PRO A 73 3.313 14.072 -8.218 1.00 1.13 H new ATOM 0 HB3 PRO A 73 4.304 13.722 -9.620 1.00 1.13 H new ATOM 0 HG2 PRO A 73 1.363 13.711 -9.367 1.00 1.17 H new ATOM 0 HG3 PRO A 73 2.349 13.850 -10.810 1.00 1.17 H new ATOM 0 HD2 PRO A 73 0.936 11.600 -10.300 1.00 1.05 H new ATOM 0 HD3 PRO A 73 2.494 11.519 -11.099 1.00 1.05 H new ATOM 701 N GLU A 74 2.731 12.163 -6.272 1.00 0.91 N ATOM 702 CA GLU A 74 2.777 12.237 -4.820 1.00 0.96 C ATOM 703 C GLU A 74 2.563 10.862 -4.190 1.00 0.93 C ATOM 704 O GLU A 74 3.393 10.419 -3.414 1.00 1.25 O ATOM 705 CB GLU A 74 1.787 13.275 -4.247 1.00 1.07 C ATOM 706 CG GLU A 74 0.332 13.103 -4.660 1.00 0.90 C ATOM 707 CD GLU A 74 0.108 13.359 -6.130 1.00 1.59 C ATOM 708 OE1 GLU A 74 0.141 12.393 -6.909 1.00 2.56 O ATOM 709 OE2 GLU A 74 -0.073 14.527 -6.520 1.00 1.58 O ATOM 0 H GLU A 74 1.800 12.261 -6.678 1.00 0.91 H new ATOM 0 HA GLU A 74 3.777 12.580 -4.556 1.00 0.96 H new ATOM 0 HB2 GLU A 74 1.843 13.240 -3.159 1.00 1.07 H new ATOM 0 HB3 GLU A 74 2.116 14.269 -4.551 1.00 1.07 H new ATOM 0 HG2 GLU A 74 0.008 12.091 -4.418 1.00 0.90 H new ATOM 0 HG3 GLU A 74 -0.289 13.784 -4.078 1.00 0.90 H new ATOM 716 N PHE A 75 1.481 10.171 -4.546 1.00 0.80 N ATOM 717 CA PHE A 75 1.170 8.880 -3.924 1.00 0.79 C ATOM 718 C PHE A 75 2.304 7.881 -4.156 1.00 0.66 C ATOM 719 O PHE A 75 2.966 7.440 -3.215 1.00 0.66 O ATOM 720 CB PHE A 75 -0.133 8.293 -4.475 1.00 0.87 C ATOM 721 CG PHE A 75 -1.314 9.215 -4.424 1.00 1.53 C ATOM 722 CD1 PHE A 75 -2.009 9.523 -5.582 1.00 2.26 C ATOM 723 CD2 PHE A 75 -1.733 9.772 -3.226 1.00 1.74 C ATOM 724 CE1 PHE A 75 -3.099 10.371 -5.548 1.00 3.20 C ATOM 725 CE2 PHE A 75 -2.823 10.619 -3.185 1.00 2.61 C ATOM 726 CZ PHE A 75 -3.506 10.919 -4.349 1.00 3.36 C ATOM 0 H PHE A 75 0.811 10.476 -5.252 1.00 0.80 H new ATOM 0 HA PHE A 75 1.052 9.058 -2.855 1.00 0.79 H new ATOM 0 HB2 PHE A 75 0.030 7.993 -5.510 1.00 0.87 H new ATOM 0 HB3 PHE A 75 -0.372 7.389 -3.915 1.00 0.87 H new ATOM 0 HD1 PHE A 75 -1.695 9.095 -6.523 1.00 2.26 H new ATOM 0 HD2 PHE A 75 -1.201 9.541 -2.315 1.00 1.74 H new ATOM 0 HE1 PHE A 75 -3.631 10.605 -6.458 1.00 3.20 H new ATOM 0 HE2 PHE A 75 -3.141 11.046 -2.246 1.00 2.61 H new ATOM 0 HZ PHE A 75 -4.358 11.582 -4.320 1.00 3.36 H new ATOM 736 N TYR A 76 2.530 7.545 -5.421 1.00 0.59 N ATOM 737 CA TYR A 76 3.593 6.620 -5.804 1.00 0.50 C ATOM 738 C TYR A 76 4.955 7.247 -5.534 1.00 0.47 C ATOM 739 O TYR A 76 5.931 6.550 -5.256 1.00 0.49 O ATOM 740 CB TYR A 76 3.451 6.250 -7.286 1.00 0.51 C ATOM 741 CG TYR A 76 4.458 5.233 -7.784 1.00 0.49 C ATOM 742 CD1 TYR A 76 5.296 5.520 -8.853 1.00 0.58 C ATOM 743 CD2 TYR A 76 4.582 3.992 -7.172 1.00 0.51 C ATOM 744 CE1 TYR A 76 6.227 4.602 -9.299 1.00 0.66 C ATOM 745 CE2 TYR A 76 5.509 3.069 -7.611 1.00 0.59 C ATOM 746 CZ TYR A 76 6.282 3.353 -8.720 1.00 0.65 C ATOM 747 OH TYR A 76 7.259 2.460 -9.115 1.00 0.79 O ATOM 0 H TYR A 76 1.986 7.903 -6.206 1.00 0.59 H new ATOM 0 HA TYR A 76 3.510 5.711 -5.208 1.00 0.50 H new ATOM 0 HB2 TYR A 76 2.447 5.860 -7.454 1.00 0.51 H new ATOM 0 HB3 TYR A 76 3.545 7.157 -7.883 1.00 0.51 H new ATOM 0 HD1 TYR A 76 5.219 6.478 -9.345 1.00 0.58 H new ATOM 0 HD2 TYR A 76 3.942 3.745 -6.338 1.00 0.51 H new ATOM 0 HE1 TYR A 76 6.907 4.862 -10.096 1.00 0.66 H new ATOM 0 HE2 TYR A 76 5.629 2.130 -7.091 1.00 0.59 H new ATOM 0 HH TYR A 76 7.162 1.625 -8.611 1.00 0.79 H new ATOM 757 N GLY A 77 5.002 8.571 -5.600 1.00 0.48 N ATOM 758 CA GLY A 77 6.232 9.290 -5.341 1.00 0.50 C ATOM 759 C GLY A 77 6.722 9.112 -3.919 1.00 0.52 C ATOM 760 O GLY A 77 7.926 9.054 -3.678 1.00 0.60 O ATOM 0 H GLY A 77 4.204 9.163 -5.830 1.00 0.48 H new ATOM 0 HA2 GLY A 77 7.002 8.947 -6.032 1.00 0.50 H new ATOM 0 HA3 GLY A 77 6.077 10.351 -5.538 1.00 0.50 H new ATOM 764 N LYS A 78 5.795 9.011 -2.970 1.00 0.53 N ATOM 765 CA LYS A 78 6.175 8.828 -1.567 1.00 0.60 C ATOM 766 C LYS A 78 6.638 7.395 -1.342 1.00 0.59 C ATOM 767 O LYS A 78 7.575 7.140 -0.583 1.00 0.66 O ATOM 768 CB LYS A 78 5.017 9.146 -0.613 1.00 0.69 C ATOM 769 CG LYS A 78 4.426 10.537 -0.770 1.00 0.77 C ATOM 770 CD LYS A 78 5.460 11.638 -0.602 1.00 1.17 C ATOM 771 CE LYS A 78 4.874 12.984 -0.994 1.00 1.41 C ATOM 772 NZ LYS A 78 5.820 14.107 -0.763 1.00 2.09 N ATOM 0 H LYS A 78 4.790 9.052 -3.140 1.00 0.53 H new ATOM 0 HA LYS A 78 6.986 9.523 -1.352 1.00 0.60 H new ATOM 0 HB2 LYS A 78 4.227 8.411 -0.766 1.00 0.69 H new ATOM 0 HB3 LYS A 78 5.367 9.029 0.413 1.00 0.69 H new ATOM 0 HG2 LYS A 78 3.967 10.623 -1.755 1.00 0.77 H new ATOM 0 HG3 LYS A 78 3.632 10.675 -0.036 1.00 0.77 H new ATOM 0 HD2 LYS A 78 5.800 11.671 0.433 1.00 1.17 H new ATOM 0 HD3 LYS A 78 6.333 11.422 -1.218 1.00 1.17 H new ATOM 0 HE2 LYS A 78 4.593 12.961 -2.047 1.00 1.41 H new ATOM 0 HE3 LYS A 78 3.962 13.159 -0.424 1.00 1.41 H new ATOM 0 HZ1 LYS A 78 5.372 15.002 -1.046 1.00 2.09 H new ATOM 0 HZ2 LYS A 78 6.070 14.149 0.246 1.00 2.09 H new ATOM 0 HZ3 LYS A 78 6.681 13.957 -1.327 1.00 2.09 H new ATOM 786 N PHE A 79 5.975 6.469 -2.024 1.00 0.52 N ATOM 787 CA PHE A 79 6.332 5.056 -1.973 1.00 0.50 C ATOM 788 C PHE A 79 7.765 4.843 -2.461 1.00 0.51 C ATOM 789 O PHE A 79 8.493 4.001 -1.943 1.00 0.56 O ATOM 790 CB PHE A 79 5.349 4.248 -2.829 1.00 0.48 C ATOM 791 CG PHE A 79 5.702 2.795 -2.946 1.00 0.51 C ATOM 792 CD1 PHE A 79 5.341 1.896 -1.958 1.00 0.62 C ATOM 793 CD2 PHE A 79 6.408 2.332 -4.044 1.00 0.53 C ATOM 794 CE1 PHE A 79 5.678 0.568 -2.061 1.00 0.67 C ATOM 795 CE2 PHE A 79 6.745 1.000 -4.152 1.00 0.61 C ATOM 796 CZ PHE A 79 6.380 0.119 -3.157 1.00 0.65 C ATOM 0 H PHE A 79 5.178 6.675 -2.626 1.00 0.52 H new ATOM 0 HA PHE A 79 6.274 4.713 -0.940 1.00 0.50 H new ATOM 0 HB2 PHE A 79 4.351 4.337 -2.401 1.00 0.48 H new ATOM 0 HB3 PHE A 79 5.307 4.684 -3.827 1.00 0.48 H new ATOM 0 HD1 PHE A 79 4.789 2.242 -1.097 1.00 0.62 H new ATOM 0 HD2 PHE A 79 6.697 3.022 -4.823 1.00 0.53 H new ATOM 0 HE1 PHE A 79 5.392 -0.124 -1.282 1.00 0.67 H new ATOM 0 HE2 PHE A 79 7.293 0.648 -5.013 1.00 0.61 H new ATOM 0 HZ PHE A 79 6.645 -0.925 -3.237 1.00 0.65 H new ATOM 806 N LYS A 80 8.168 5.632 -3.442 1.00 0.51 N ATOM 807 CA LYS A 80 9.480 5.475 -4.062 1.00 0.58 C ATOM 808 C LYS A 80 10.521 6.392 -3.426 1.00 0.63 C ATOM 809 O LYS A 80 11.706 6.316 -3.754 1.00 0.66 O ATOM 810 CB LYS A 80 9.395 5.744 -5.568 1.00 0.64 C ATOM 811 CG LYS A 80 8.478 4.780 -6.307 1.00 0.69 C ATOM 812 CD LYS A 80 8.926 3.332 -6.131 1.00 0.72 C ATOM 813 CE LYS A 80 10.258 3.058 -6.815 1.00 0.93 C ATOM 814 NZ LYS A 80 10.177 3.217 -8.292 1.00 1.09 N ATOM 0 H LYS A 80 7.607 6.390 -3.830 1.00 0.51 H new ATOM 0 HA LYS A 80 9.797 4.445 -3.897 1.00 0.58 H new ATOM 0 HB2 LYS A 80 9.042 6.763 -5.728 1.00 0.64 H new ATOM 0 HB3 LYS A 80 10.395 5.682 -5.997 1.00 0.64 H new ATOM 0 HG2 LYS A 80 7.458 4.893 -5.939 1.00 0.69 H new ATOM 0 HG3 LYS A 80 8.464 5.031 -7.368 1.00 0.69 H new ATOM 0 HD2 LYS A 80 9.011 3.106 -5.068 1.00 0.72 H new ATOM 0 HD3 LYS A 80 8.166 2.666 -6.538 1.00 0.72 H new ATOM 0 HE2 LYS A 80 11.013 3.737 -6.420 1.00 0.93 H new ATOM 0 HE3 LYS A 80 10.584 2.045 -6.578 1.00 0.93 H new ATOM 0 HZ1 LYS A 80 10.860 2.579 -8.748 1.00 1.09 H new ATOM 0 HZ2 LYS A 80 9.216 2.983 -8.614 1.00 1.09 H new ATOM 0 HZ3 LYS A 80 10.398 4.200 -8.548 1.00 1.09 H new ATOM 828 N GLU A 81 10.078 7.241 -2.505 1.00 0.67 N ATOM 829 CA GLU A 81 10.959 8.214 -1.864 1.00 0.78 C ATOM 830 C GLU A 81 12.064 7.497 -1.087 1.00 0.67 C ATOM 831 O GLU A 81 13.249 7.787 -1.255 1.00 0.70 O ATOM 832 CB GLU A 81 10.144 9.116 -0.926 1.00 0.94 C ATOM 833 CG GLU A 81 10.705 10.524 -0.750 1.00 1.25 C ATOM 834 CD GLU A 81 12.068 10.556 -0.086 1.00 1.57 C ATOM 835 OE1 GLU A 81 13.074 10.753 -0.799 1.00 2.07 O ATOM 836 OE2 GLU A 81 12.136 10.393 1.153 1.00 2.04 O ATOM 0 H GLU A 81 9.111 7.276 -2.184 1.00 0.67 H new ATOM 0 HA GLU A 81 11.424 8.832 -2.632 1.00 0.78 H new ATOM 0 HB2 GLU A 81 9.126 9.190 -1.309 1.00 0.94 H new ATOM 0 HB3 GLU A 81 10.083 8.639 0.052 1.00 0.94 H new ATOM 0 HG2 GLU A 81 10.775 11.003 -1.727 1.00 1.25 H new ATOM 0 HG3 GLU A 81 10.007 11.113 -0.155 1.00 1.25 H new ATOM 843 N GLY A 82 11.667 6.537 -0.263 1.00 0.62 N ATOM 844 CA GLY A 82 12.630 5.803 0.537 1.00 0.62 C ATOM 845 C GLY A 82 13.471 4.872 -0.310 1.00 0.62 C ATOM 846 O GLY A 82 14.668 4.708 -0.069 1.00 0.72 O ATOM 0 H GLY A 82 10.696 6.253 -0.133 1.00 0.62 H new ATOM 0 HA2 GLY A 82 13.279 6.506 1.059 1.00 0.62 H new ATOM 0 HA3 GLY A 82 12.105 5.227 1.299 1.00 0.62 H new ATOM 850 N VAL A 83 12.829 4.278 -1.308 1.00 0.58 N ATOM 851 CA VAL A 83 13.482 3.362 -2.240 1.00 0.66 C ATOM 852 C VAL A 83 14.725 3.989 -2.862 1.00 0.73 C ATOM 853 O VAL A 83 15.830 3.452 -2.745 1.00 0.85 O ATOM 854 CB VAL A 83 12.659 3.015 -3.221 1.00 0.68 C ATOM 855 CG1 VAL A 83 13.272 1.916 -4.085 1.00 0.83 C ATOM 856 CG2 VAL A 83 11.302 2.588 -2.686 1.00 0.65 C ATOM 0 H VAL A 83 11.836 4.417 -1.496 1.00 0.58 H new ATOM 0 HA VAL A 83 13.768 2.482 -1.663 1.00 0.66 H new ATOM 0 HB VAL A 83 12.505 3.895 -3.846 1.00 0.68 H new ATOM 0 HG11 VAL A 83 12.577 1.650 -4.882 1.00 0.83 H new ATOM 0 HG12 VAL A 83 14.205 2.274 -4.521 1.00 0.83 H new ATOM 0 HG13 VAL A 83 13.472 1.039 -3.470 1.00 0.83 H new ATOM 0 HG21 VAL A 83 10.654 2.311 -3.517 1.00 0.65 H new ATOM 0 HG22 VAL A 83 11.426 1.733 -2.021 1.00 0.65 H new ATOM 0 HG23 VAL A 83 10.852 3.414 -2.135 1.00 0.65 H new ATOM 866 N ALA A 84 14.540 5.141 -3.498 1.00 0.70 N ATOM 867 CA ALA A 84 15.612 5.798 -4.235 1.00 0.81 C ATOM 868 C ALA A 84 16.669 6.390 -3.304 1.00 0.92 C ATOM 869 O ALA A 84 17.769 6.734 -3.739 1.00 1.14 O ATOM 870 CB ALA A 84 15.033 6.876 -5.134 1.00 0.85 C ATOM 0 H ALA A 84 13.651 5.641 -3.517 1.00 0.70 H new ATOM 0 HA ALA A 84 16.108 5.043 -4.845 1.00 0.81 H new ATOM 0 HB1 ALA A 84 15.839 7.364 -5.683 1.00 0.85 H new ATOM 0 HB2 ALA A 84 14.335 6.425 -5.839 1.00 0.85 H new ATOM 0 HB3 ALA A 84 14.509 7.614 -4.526 1.00 0.85 H new ATOM 876 N SER A 85 16.339 6.502 -2.030 1.00 0.92 N ATOM 877 CA SER A 85 17.272 7.041 -1.057 1.00 1.12 C ATOM 878 C SER A 85 18.145 5.930 -0.473 1.00 1.16 C ATOM 879 O SER A 85 19.331 5.823 -0.792 1.00 1.40 O ATOM 880 CB SER A 85 16.509 7.763 0.056 1.00 1.38 C ATOM 881 OG SER A 85 15.665 8.768 -0.479 1.00 1.82 O ATOM 0 H SER A 85 15.435 6.228 -1.646 1.00 0.92 H new ATOM 0 HA SER A 85 17.924 7.756 -1.559 1.00 1.12 H new ATOM 0 HB2 SER A 85 15.914 7.045 0.619 1.00 1.38 H new ATOM 0 HB3 SER A 85 17.215 8.210 0.756 1.00 1.38 H new ATOM 0 HG SER A 85 14.804 8.373 -0.731 1.00 1.82 H new ATOM 887 N GLY A 86 17.555 5.106 0.380 1.00 1.12 N ATOM 888 CA GLY A 86 18.290 4.022 0.997 1.00 1.47 C ATOM 889 C GLY A 86 17.366 3.055 1.699 1.00 1.35 C ATOM 890 O GLY A 86 17.143 1.934 1.238 1.00 1.65 O ATOM 0 H GLY A 86 16.575 5.170 0.657 1.00 1.12 H new ATOM 0 HA2 GLY A 86 18.864 3.492 0.237 1.00 1.47 H new ATOM 0 HA3 GLY A 86 19.006 4.427 1.712 1.00 1.47 H new ATOM 894 N ASN A 87 16.826 3.507 2.818 1.00 1.30 N ATOM 895 CA ASN A 87 15.878 2.728 3.593 1.00 1.28 C ATOM 896 C ASN A 87 14.497 3.337 3.426 1.00 0.81 C ATOM 897 O ASN A 87 14.372 4.547 3.238 1.00 1.19 O ATOM 898 CB ASN A 87 16.263 2.732 5.077 1.00 1.94 C ATOM 899 CG ASN A 87 17.725 2.401 5.313 1.00 2.79 C ATOM 900 OD1 ASN A 87 18.092 1.245 5.520 1.00 3.50 O ATOM 901 ND2 ASN A 87 18.571 3.419 5.288 1.00 3.16 N ATOM 0 H ASN A 87 17.033 4.424 3.214 1.00 1.30 H new ATOM 0 HA ASN A 87 15.884 1.697 3.238 1.00 1.28 H new ATOM 0 HB2 ASN A 87 16.046 3.713 5.500 1.00 1.94 H new ATOM 0 HB3 ASN A 87 15.643 2.011 5.609 1.00 1.94 H new ATOM 0 HD21 ASN A 87 19.566 3.259 5.444 1.00 3.16 H new ATOM 0 HD22 ASN A 87 18.228 4.363 5.113 1.00 3.16 H new ATOM 908 N LEU A 88 13.463 2.518 3.487 1.00 0.61 N ATOM 909 CA LEU A 88 12.116 3.029 3.365 1.00 0.75 C ATOM 910 C LEU A 88 11.369 2.780 4.662 1.00 0.56 C ATOM 911 O LEU A 88 10.929 1.666 4.922 1.00 1.00 O ATOM 912 CB LEU A 88 11.380 2.355 2.202 1.00 1.61 C ATOM 913 CG LEU A 88 10.400 3.247 1.428 1.00 2.22 C ATOM 914 CD1 LEU A 88 9.575 2.411 0.469 1.00 2.96 C ATOM 915 CD2 LEU A 88 9.491 4.025 2.362 1.00 2.90 C ATOM 0 H LEU A 88 13.531 1.509 3.619 1.00 0.61 H new ATOM 0 HA LEU A 88 12.162 4.099 3.163 1.00 0.75 H new ATOM 0 HB2 LEU A 88 12.121 1.969 1.502 1.00 1.61 H new ATOM 0 HB3 LEU A 88 10.832 1.497 2.592 1.00 1.61 H new ATOM 0 HG LEU A 88 10.987 3.969 0.861 1.00 2.22 H new ATOM 0 HD11 LEU A 88 8.884 3.056 -0.074 1.00 2.96 H new ATOM 0 HD12 LEU A 88 10.236 1.910 -0.239 1.00 2.96 H new ATOM 0 HD13 LEU A 88 9.011 1.665 1.029 1.00 2.96 H new ATOM 0 HD21 LEU A 88 8.812 4.645 1.776 1.00 2.90 H new ATOM 0 HD22 LEU A 88 8.914 3.329 2.971 1.00 2.90 H new ATOM 0 HD23 LEU A 88 10.094 4.661 3.011 1.00 2.90 H new ATOM 927 N ASN A 89 11.238 3.816 5.468 1.00 0.54 N ATOM 928 CA ASN A 89 10.480 3.737 6.708 1.00 0.47 C ATOM 929 C ASN A 89 9.866 5.089 7.009 1.00 0.59 C ATOM 930 O ASN A 89 10.430 5.893 7.753 1.00 0.97 O ATOM 931 CB ASN A 89 11.339 3.284 7.898 1.00 0.50 C ATOM 932 CG ASN A 89 11.915 1.886 7.751 1.00 1.31 C ATOM 933 OD1 ASN A 89 11.278 0.894 8.117 1.00 2.24 O ATOM 934 ND2 ASN A 89 13.134 1.798 7.238 1.00 1.82 N ATOM 0 H ASN A 89 11.650 4.731 5.286 1.00 0.54 H new ATOM 0 HA ASN A 89 9.702 2.986 6.568 1.00 0.47 H new ATOM 0 HB2 ASN A 89 12.158 3.991 8.031 1.00 0.50 H new ATOM 0 HB3 ASN A 89 10.735 3.323 8.804 1.00 0.50 H new ATOM 0 HD21 ASN A 89 13.579 0.886 7.134 1.00 1.82 H new ATOM 0 HD22 ASN A 89 13.627 2.642 6.947 1.00 1.82 H new ATOM 941 N THR A 90 8.727 5.350 6.395 1.00 0.51 N ATOM 942 CA THR A 90 8.036 6.607 6.566 1.00 0.61 C ATOM 943 C THR A 90 6.580 6.389 6.957 1.00 0.53 C ATOM 944 O THR A 90 6.028 5.305 6.773 1.00 0.51 O ATOM 945 CB THR A 90 8.084 7.336 5.466 1.00 0.75 C ATOM 946 OG1 THR A 90 7.832 6.505 4.319 1.00 1.63 O ATOM 947 CG2 THR A 90 9.426 8.037 5.318 1.00 1.39 C ATOM 0 H THR A 90 8.259 4.697 5.767 1.00 0.51 H new ATOM 0 HA THR A 90 8.546 7.140 7.369 1.00 0.61 H new ATOM 0 HB THR A 90 7.314 8.104 5.537 1.00 0.75 H new ATOM 0 HG1 THR A 90 7.867 7.051 3.506 1.00 1.63 H new ATOM 0 HG21 THR A 90 9.429 8.627 4.402 1.00 1.39 H new ATOM 0 HG22 THR A 90 9.590 8.693 6.173 1.00 1.39 H new ATOM 0 HG23 THR A 90 10.222 7.294 5.273 1.00 1.39 H new ATOM 955 N MET A 91 5.987 7.402 7.554 1.00 0.55 N ATOM 956 CA MET A 91 4.574 7.376 7.908 1.00 0.51 C ATOM 957 C MET A 91 3.920 8.716 7.577 1.00 0.57 C ATOM 958 O MET A 91 4.245 9.747 8.169 1.00 0.75 O ATOM 959 CB MET A 91 4.399 7.028 9.394 1.00 0.60 C ATOM 960 CG MET A 91 5.234 7.881 10.333 1.00 1.14 C ATOM 961 SD MET A 91 5.190 7.281 12.033 1.00 1.61 S ATOM 962 CE MET A 91 3.451 7.450 12.420 1.00 1.77 C ATOM 0 H MET A 91 6.465 8.266 7.809 1.00 0.55 H new ATOM 0 HA MET A 91 4.079 6.602 7.321 1.00 0.51 H new ATOM 0 HB2 MET A 91 3.348 7.136 9.660 1.00 0.60 H new ATOM 0 HB3 MET A 91 4.659 5.980 9.544 1.00 0.60 H new ATOM 0 HG2 MET A 91 6.266 7.897 9.983 1.00 1.14 H new ATOM 0 HG3 MET A 91 4.872 8.909 10.304 1.00 1.14 H new ATOM 0 HE1 MET A 91 3.330 7.608 13.492 1.00 1.77 H new ATOM 0 HE2 MET A 91 3.039 8.302 11.879 1.00 1.77 H new ATOM 0 HE3 MET A 91 2.923 6.543 12.125 1.00 1.77 H new ATOM 972 N PHE A 92 3.009 8.697 6.617 1.00 0.49 N ATOM 973 CA PHE A 92 2.368 9.919 6.139 1.00 0.55 C ATOM 974 C PHE A 92 0.868 9.709 5.958 1.00 0.48 C ATOM 975 O PHE A 92 0.396 8.574 5.945 1.00 0.47 O ATOM 976 CB PHE A 92 3.015 10.382 4.823 1.00 0.72 C ATOM 977 CG PHE A 92 3.300 9.269 3.844 1.00 1.04 C ATOM 978 CD1 PHE A 92 2.365 8.898 2.890 1.00 1.25 C ATOM 979 CD2 PHE A 92 4.516 8.602 3.877 1.00 1.83 C ATOM 980 CE1 PHE A 92 2.637 7.883 1.993 1.00 2.19 C ATOM 981 CE2 PHE A 92 4.790 7.586 2.983 1.00 2.86 C ATOM 982 CZ PHE A 92 3.850 7.226 2.040 1.00 3.01 C ATOM 0 H PHE A 92 2.694 7.847 6.150 1.00 0.49 H new ATOM 0 HA PHE A 92 2.511 10.698 6.888 1.00 0.55 H new ATOM 0 HB2 PHE A 92 2.359 11.110 4.346 1.00 0.72 H new ATOM 0 HB3 PHE A 92 3.948 10.896 5.052 1.00 0.72 H new ATOM 0 HD1 PHE A 92 1.414 9.408 2.848 1.00 1.25 H new ATOM 0 HD2 PHE A 92 5.258 8.881 4.611 1.00 1.83 H new ATOM 0 HE1 PHE A 92 1.900 7.603 1.255 1.00 2.19 H new ATOM 0 HE2 PHE A 92 5.740 7.073 3.022 1.00 2.86 H new ATOM 0 HZ PHE A 92 4.063 6.432 1.340 1.00 3.01 H new ATOM 992 N GLU A 93 0.121 10.801 5.833 1.00 0.48 N ATOM 993 CA GLU A 93 -1.323 10.715 5.656 1.00 0.47 C ATOM 994 C GLU A 93 -1.710 11.047 4.222 1.00 0.45 C ATOM 995 O GLU A 93 -1.414 12.134 3.723 1.00 0.53 O ATOM 996 CB GLU A 93 -2.065 11.653 6.612 1.00 0.58 C ATOM 997 CG GLU A 93 -1.927 11.284 8.080 1.00 1.30 C ATOM 998 CD GLU A 93 -0.659 11.820 8.707 1.00 1.73 C ATOM 999 OE1 GLU A 93 0.276 11.027 8.948 1.00 2.39 O ATOM 1000 OE2 GLU A 93 -0.599 13.038 8.977 1.00 2.04 O ATOM 0 H GLU A 93 0.490 11.752 5.851 1.00 0.48 H new ATOM 0 HA GLU A 93 -1.613 9.689 5.882 1.00 0.47 H new ATOM 0 HB2 GLU A 93 -1.694 12.668 6.468 1.00 0.58 H new ATOM 0 HB3 GLU A 93 -3.123 11.660 6.349 1.00 0.58 H new ATOM 0 HG2 GLU A 93 -2.787 11.668 8.628 1.00 1.30 H new ATOM 0 HG3 GLU A 93 -1.944 10.199 8.179 1.00 1.30 H new ATOM 1007 N TYR A 94 -2.376 10.108 3.572 1.00 0.44 N ATOM 1008 CA TYR A 94 -2.800 10.268 2.189 1.00 0.51 C ATOM 1009 C TYR A 94 -4.152 9.601 1.976 1.00 0.42 C ATOM 1010 O TYR A 94 -4.620 8.849 2.834 1.00 0.40 O ATOM 1011 CB TYR A 94 -1.749 9.707 1.227 1.00 0.69 C ATOM 1012 CG TYR A 94 -0.783 10.759 0.723 1.00 1.24 C ATOM 1013 CD1 TYR A 94 0.516 10.825 1.203 1.00 2.16 C ATOM 1014 CD2 TYR A 94 -1.178 11.689 -0.230 1.00 1.19 C ATOM 1015 CE1 TYR A 94 1.397 11.786 0.749 1.00 2.86 C ATOM 1016 CE2 TYR A 94 -0.301 12.655 -0.691 1.00 1.83 C ATOM 1017 CZ TYR A 94 0.985 12.698 -0.198 1.00 2.64 C ATOM 1018 OH TYR A 94 1.865 13.653 -0.652 1.00 3.37 O ATOM 0 H TYR A 94 -2.638 9.214 3.986 1.00 0.44 H new ATOM 0 HA TYR A 94 -2.904 11.332 1.977 1.00 0.51 H new ATOM 0 HB2 TYR A 94 -1.189 8.919 1.730 1.00 0.69 H new ATOM 0 HB3 TYR A 94 -2.252 9.247 0.376 1.00 0.69 H new ATOM 0 HD1 TYR A 94 0.844 10.112 1.945 1.00 2.16 H new ATOM 0 HD2 TYR A 94 -2.186 11.658 -0.617 1.00 1.19 H new ATOM 0 HE1 TYR A 94 2.405 11.823 1.135 1.00 2.86 H new ATOM 0 HE2 TYR A 94 -0.623 13.371 -1.433 1.00 1.83 H new ATOM 0 HH TYR A 94 1.396 14.507 -0.756 1.00 3.37 H new ATOM 1028 N THR A 95 -4.784 9.889 0.847 1.00 0.46 N ATOM 1029 CA THR A 95 -6.134 9.428 0.602 1.00 0.46 C ATOM 1030 C THR A 95 -6.168 8.241 -0.368 1.00 0.47 C ATOM 1031 O THR A 95 -5.233 8.019 -1.141 1.00 0.60 O ATOM 1032 CB THR A 95 -6.893 10.424 0.140 1.00 0.59 C ATOM 1033 OG1 THR A 95 -8.270 10.026 0.081 1.00 1.40 O ATOM 1034 CG2 THR A 95 -6.445 10.905 -1.236 1.00 1.09 C ATOM 0 H THR A 95 -4.380 10.440 0.089 1.00 0.46 H new ATOM 0 HA THR A 95 -6.537 9.086 1.555 1.00 0.46 H new ATOM 0 HB THR A 95 -6.779 11.253 0.839 1.00 0.59 H new ATOM 0 HG1 THR A 95 -8.598 9.847 0.987 1.00 1.40 H new ATOM 0 HG21 THR A 95 -7.094 11.715 -1.567 1.00 1.09 H new ATOM 0 HG22 THR A 95 -5.417 11.263 -1.179 1.00 1.09 H new ATOM 0 HG23 THR A 95 -6.503 10.080 -1.946 1.00 1.09 H new ATOM 1042 N PHE A 96 -7.218 7.436 -0.248 1.00 0.43 N ATOM 1043 CA PHE A 96 -7.498 6.371 -1.197 1.00 0.53 C ATOM 1044 C PHE A 96 -8.862 6.624 -1.813 1.00 0.62 C ATOM 1045 O PHE A 96 -9.895 6.410 -1.176 1.00 0.78 O ATOM 1046 CB PHE A 96 -7.467 5.002 -0.514 1.00 0.69 C ATOM 1047 CG PHE A 96 -6.105 4.612 -0.012 1.00 0.74 C ATOM 1048 CD1 PHE A 96 -5.072 4.352 -0.897 1.00 0.69 C ATOM 1049 CD2 PHE A 96 -5.862 4.502 1.348 1.00 1.03 C ATOM 1050 CE1 PHE A 96 -3.822 3.992 -0.436 1.00 0.82 C ATOM 1051 CE2 PHE A 96 -4.613 4.141 1.814 1.00 1.18 C ATOM 1052 CZ PHE A 96 -3.585 3.895 0.911 1.00 1.03 C ATOM 0 H PHE A 96 -7.897 7.505 0.510 1.00 0.43 H new ATOM 0 HA PHE A 96 -6.732 6.366 -1.972 1.00 0.53 H new ATOM 0 HB2 PHE A 96 -8.166 5.006 0.322 1.00 0.69 H new ATOM 0 HB3 PHE A 96 -7.816 4.246 -1.217 1.00 0.69 H new ATOM 0 HD1 PHE A 96 -5.247 4.432 -1.960 1.00 0.69 H new ATOM 0 HD2 PHE A 96 -6.658 4.701 2.051 1.00 1.03 H new ATOM 0 HE1 PHE A 96 -3.028 3.786 -1.138 1.00 0.82 H new ATOM 0 HE2 PHE A 96 -4.436 4.050 2.875 1.00 1.18 H new ATOM 0 HZ PHE A 96 -2.602 3.628 1.270 1.00 1.03 H new ATOM 1062 N ASP A 97 -8.852 7.110 -3.039 1.00 0.66 N ATOM 1063 CA ASP A 97 -10.074 7.507 -3.726 1.00 0.88 C ATOM 1064 C ASP A 97 -10.323 6.567 -4.914 1.00 0.95 C ATOM 1065 O ASP A 97 -10.261 5.344 -4.752 1.00 1.74 O ATOM 1066 CB ASP A 97 -9.940 8.977 -4.164 1.00 1.17 C ATOM 1067 CG ASP A 97 -11.218 9.578 -4.725 1.00 1.83 C ATOM 1068 OD1 ASP A 97 -11.330 9.679 -5.967 1.00 2.18 O ATOM 1069 OD2 ASP A 97 -12.099 9.968 -3.941 1.00 2.57 O ATOM 0 H ASP A 97 -8.003 7.242 -3.588 1.00 0.66 H new ATOM 0 HA ASP A 97 -10.936 7.428 -3.064 1.00 0.88 H new ATOM 0 HB2 ASP A 97 -9.617 9.571 -3.309 1.00 1.17 H new ATOM 0 HB3 ASP A 97 -9.156 9.050 -4.918 1.00 1.17 H new ATOM 1074 N TYR A 98 -10.603 7.133 -6.091 1.00 1.21 N ATOM 1075 CA TYR A 98 -10.823 6.370 -7.321 1.00 1.30 C ATOM 1076 C TYR A 98 -12.149 5.608 -7.271 1.00 1.26 C ATOM 1077 O TYR A 98 -13.099 5.954 -7.970 1.00 2.02 O ATOM 1078 CB TYR A 98 -9.651 5.418 -7.586 1.00 1.57 C ATOM 1079 CG TYR A 98 -9.774 4.618 -8.857 1.00 1.79 C ATOM 1080 CD1 TYR A 98 -9.891 3.236 -8.818 1.00 1.70 C ATOM 1081 CD2 TYR A 98 -9.770 5.245 -10.095 1.00 2.36 C ATOM 1082 CE1 TYR A 98 -10.003 2.500 -9.983 1.00 2.13 C ATOM 1083 CE2 TYR A 98 -9.881 4.518 -11.262 1.00 2.79 C ATOM 1084 CZ TYR A 98 -9.995 3.148 -11.203 1.00 2.67 C ATOM 1085 OH TYR A 98 -10.102 2.421 -12.368 1.00 3.21 O ATOM 0 H TYR A 98 -10.684 8.142 -6.217 1.00 1.21 H new ATOM 0 HA TYR A 98 -10.880 7.077 -8.149 1.00 1.30 H new ATOM 0 HB2 TYR A 98 -8.729 5.998 -7.624 1.00 1.57 H new ATOM 0 HB3 TYR A 98 -9.560 4.730 -6.745 1.00 1.57 H new ATOM 0 HD1 TYR A 98 -9.895 2.728 -7.865 1.00 1.70 H new ATOM 0 HD2 TYR A 98 -9.678 6.320 -10.146 1.00 2.36 H new ATOM 0 HE1 TYR A 98 -10.096 1.425 -9.940 1.00 2.13 H new ATOM 0 HE2 TYR A 98 -9.878 5.022 -12.217 1.00 2.79 H new ATOM 0 HH TYR A 98 -10.081 3.029 -13.136 1.00 3.21 H new ATOM 1095 N GLN A 99 -12.211 4.585 -6.436 1.00 1.11 N ATOM 1096 CA GLN A 99 -13.426 3.800 -6.271 1.00 1.70 C ATOM 1097 C GLN A 99 -13.918 3.885 -4.831 1.00 1.80 C ATOM 1098 O GLN A 99 -14.956 3.330 -4.477 1.00 2.28 O ATOM 1099 CB GLN A 99 -13.188 2.344 -6.695 1.00 2.11 C ATOM 1100 CG GLN A 99 -11.848 1.774 -6.254 1.00 2.28 C ATOM 1101 CD GLN A 99 -11.774 1.507 -4.767 1.00 2.65 C ATOM 1102 OE1 GLN A 99 -12.766 1.151 -4.135 1.00 3.23 O ATOM 1103 NE2 GLN A 99 -10.604 1.710 -4.199 1.00 2.81 N ATOM 0 H GLN A 99 -11.430 4.276 -5.858 1.00 1.11 H new ATOM 0 HA GLN A 99 -14.202 4.211 -6.917 1.00 1.70 H new ATOM 0 HB2 GLN A 99 -13.986 1.724 -6.286 1.00 2.11 H new ATOM 0 HB3 GLN A 99 -13.258 2.278 -7.781 1.00 2.11 H new ATOM 0 HG2 GLN A 99 -11.660 0.845 -6.793 1.00 2.28 H new ATOM 0 HG3 GLN A 99 -11.056 2.469 -6.532 1.00 2.28 H new ATOM 0 HE21 GLN A 99 -9.807 2.005 -4.763 1.00 2.81 H new ATOM 0 HE22 GLN A 99 -10.494 1.572 -3.194 1.00 2.81 H new ATOM 1112 N MET A 100 -13.157 4.591 -4.014 1.00 1.50 N ATOM 1113 CA MET A 100 -13.500 4.793 -2.615 1.00 1.55 C ATOM 1114 C MET A 100 -13.742 6.266 -2.367 1.00 1.40 C ATOM 1115 O MET A 100 -13.192 7.110 -3.076 1.00 1.30 O ATOM 1116 CB MET A 100 -12.366 4.289 -1.711 1.00 1.54 C ATOM 1117 CG MET A 100 -12.716 4.274 -0.231 1.00 1.64 C ATOM 1118 SD MET A 100 -14.201 3.314 0.127 1.00 2.37 S ATOM 1119 CE MET A 100 -14.253 3.441 1.913 1.00 2.85 C ATOM 0 H MET A 100 -12.286 5.040 -4.299 1.00 1.50 H new ATOM 0 HA MET A 100 -14.404 4.231 -2.383 1.00 1.55 H new ATOM 0 HB2 MET A 100 -12.090 3.280 -2.019 1.00 1.54 H new ATOM 0 HB3 MET A 100 -11.489 4.919 -1.860 1.00 1.54 H new ATOM 0 HG2 MET A 100 -11.878 3.862 0.332 1.00 1.64 H new ATOM 0 HG3 MET A 100 -12.859 5.298 0.114 1.00 1.64 H new ATOM 0 HE1 MET A 100 -15.225 3.103 2.274 1.00 2.85 H new ATOM 0 HE2 MET A 100 -13.469 2.819 2.345 1.00 2.85 H new ATOM 0 HE3 MET A 100 -14.097 4.478 2.209 1.00 2.85 H new ATOM 1129 N THR A 101 -14.590 6.570 -1.395 1.00 1.46 N ATOM 1130 CA THR A 101 -14.727 7.929 -0.920 1.00 1.40 C ATOM 1131 C THR A 101 -13.349 8.427 -0.482 1.00 1.14 C ATOM 1132 O THR A 101 -12.533 7.629 -0.003 1.00 1.13 O ATOM 1133 CB THR A 101 -15.616 8.008 0.075 1.00 1.54 C ATOM 1134 OG1 THR A 101 -15.763 9.362 0.536 1.00 2.12 O ATOM 1135 CG2 THR A 101 -15.249 7.105 1.246 1.00 2.05 C ATOM 0 H THR A 101 -15.190 5.892 -0.924 1.00 1.46 H new ATOM 0 HA THR A 101 -15.105 8.563 -1.722 1.00 1.40 H new ATOM 0 HB THR A 101 -16.567 7.665 -0.333 1.00 1.54 H new ATOM 0 HG1 THR A 101 -16.420 9.391 1.262 1.00 2.12 H new ATOM 0 HG21 THR A 101 -16.000 7.203 2.030 1.00 2.05 H new ATOM 0 HG22 THR A 101 -15.210 6.069 0.908 1.00 2.05 H new ATOM 0 HG23 THR A 101 -14.275 7.396 1.638 1.00 2.05 H new ATOM 1143 N PRO A 102 -13.025 9.709 -0.731 1.00 1.13 N ATOM 1144 CA PRO A 102 -11.704 10.269 -0.419 1.00 1.00 C ATOM 1145 C PRO A 102 -11.394 10.247 1.075 1.00 0.92 C ATOM 1146 O PRO A 102 -11.390 11.286 1.740 1.00 1.15 O ATOM 1147 CB PRO A 102 -11.786 11.713 -0.929 1.00 1.32 C ATOM 1148 CG PRO A 102 -13.242 12.010 -1.016 1.00 1.47 C ATOM 1149 CD PRO A 102 -13.907 10.709 -1.356 1.00 1.44 C ATOM 0 HA PRO A 102 -10.906 9.688 -0.881 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -11.283 12.401 -0.249 1.00 1.32 H new ATOM 0 HB3 PRO A 102 -11.304 11.816 -1.901 1.00 1.32 H new ATOM 0 HG2 PRO A 102 -13.617 12.405 -0.072 1.00 1.47 H new ATOM 0 HG3 PRO A 102 -13.442 12.762 -1.779 1.00 1.47 H new ATOM 0 HD2 PRO A 102 -14.920 10.658 -0.957 1.00 1.44 H new ATOM 0 HD3 PRO A 102 -13.981 10.564 -2.434 1.00 1.44 H new ATOM 1157 N THR A 103 -11.139 9.058 1.595 1.00 0.73 N ATOM 1158 CA THR A 103 -10.830 8.890 3.001 1.00 0.70 C ATOM 1159 C THR A 103 -9.368 9.195 3.291 1.00 0.58 C ATOM 1160 O THR A 103 -8.498 8.959 2.455 1.00 0.54 O ATOM 1161 CB THR A 103 -11.122 7.673 3.416 1.00 0.81 C ATOM 1162 OG1 THR A 103 -10.832 6.719 2.378 1.00 1.34 O ATOM 1163 CG2 THR A 103 -12.579 7.562 3.833 1.00 1.40 C ATOM 0 H THR A 103 -11.141 8.191 1.058 1.00 0.73 H new ATOM 0 HA THR A 103 -11.448 9.603 3.547 1.00 0.70 H new ATOM 0 HB THR A 103 -10.507 7.458 4.290 1.00 0.81 H new ATOM 0 HG1 THR A 103 -11.050 5.817 2.693 1.00 1.34 H new ATOM 0 HG21 THR A 103 -12.785 6.546 4.169 1.00 1.40 H new ATOM 0 HG22 THR A 103 -12.779 8.261 4.645 1.00 1.40 H new ATOM 0 HG23 THR A 103 -13.220 7.800 2.984 1.00 1.40 H new ATOM 1171 N LYS A 104 -9.104 9.780 4.450 1.00 0.60 N ATOM 1172 CA LYS A 104 -7.746 10.143 4.827 1.00 0.59 C ATOM 1173 C LYS A 104 -7.227 9.203 5.901 1.00 0.58 C ATOM 1174 O LYS A 104 -7.780 9.137 7.001 1.00 0.75 O ATOM 1175 CB LYS A 104 -7.669 11.594 5.329 1.00 0.75 C ATOM 1176 CG LYS A 104 -7.791 12.646 4.234 1.00 1.45 C ATOM 1177 CD LYS A 104 -9.216 12.782 3.731 1.00 1.90 C ATOM 1178 CE LYS A 104 -9.300 13.744 2.560 1.00 2.46 C ATOM 1179 NZ LYS A 104 -10.692 13.895 2.067 1.00 3.08 N ATOM 0 H LYS A 104 -9.812 10.013 5.146 1.00 0.60 H new ATOM 0 HA LYS A 104 -7.124 10.056 3.936 1.00 0.59 H new ATOM 0 HB2 LYS A 104 -8.461 11.755 6.061 1.00 0.75 H new ATOM 0 HB3 LYS A 104 -6.721 11.736 5.849 1.00 0.75 H new ATOM 0 HG2 LYS A 104 -7.448 13.608 4.616 1.00 1.45 H new ATOM 0 HG3 LYS A 104 -7.137 12.382 3.403 1.00 1.45 H new ATOM 0 HD2 LYS A 104 -9.592 11.804 3.429 1.00 1.90 H new ATOM 0 HD3 LYS A 104 -9.857 13.134 4.539 1.00 1.90 H new ATOM 0 HE2 LYS A 104 -8.914 14.718 2.862 1.00 2.46 H new ATOM 0 HE3 LYS A 104 -8.665 13.386 1.750 1.00 2.46 H new ATOM 0 HZ1 LYS A 104 -10.678 14.136 1.055 1.00 3.08 H new ATOM 0 HZ2 LYS A 104 -11.207 13.002 2.203 1.00 3.08 H new ATOM 0 HZ3 LYS A 104 -11.168 14.653 2.597 1.00 3.08 H new ATOM 1193 N VAL A 105 -6.175 8.471 5.574 1.00 0.45 N ATOM 1194 CA VAL A 105 -5.571 7.536 6.510 1.00 0.47 C ATOM 1195 C VAL A 105 -4.081 7.804 6.659 1.00 0.40 C ATOM 1196 O VAL A 105 -3.495 8.556 5.882 1.00 0.37 O ATOM 1197 CB VAL A 105 -5.753 6.269 6.149 1.00 0.54 C ATOM 1198 CG1 VAL A 105 -7.223 5.883 6.260 1.00 1.33 C ATOM 1199 CG2 VAL A 105 -5.232 6.007 4.742 1.00 0.94 C ATOM 0 H VAL A 105 -5.719 8.506 4.662 1.00 0.45 H new ATOM 0 HA VAL A 105 -6.071 7.692 7.466 1.00 0.47 H new ATOM 0 HB VAL A 105 -5.179 5.645 6.834 1.00 0.54 H new ATOM 0 HG11 VAL A 105 -7.350 4.843 5.960 1.00 1.33 H new ATOM 0 HG12 VAL A 105 -7.555 6.006 7.291 1.00 1.33 H new ATOM 0 HG13 VAL A 105 -7.818 6.523 5.608 1.00 1.33 H new ATOM 0 HG21 VAL A 105 -5.398 4.962 4.481 1.00 0.94 H new ATOM 0 HG22 VAL A 105 -5.760 6.646 4.034 1.00 0.94 H new ATOM 0 HG23 VAL A 105 -4.165 6.226 4.702 1.00 0.94 H new ATOM 1209 N LYS A 106 -3.486 7.214 7.677 1.00 0.43 N ATOM 1210 CA LYS A 106 -2.052 7.304 7.877 1.00 0.42 C ATOM 1211 C LYS A 106 -1.426 5.990 7.448 1.00 0.40 C ATOM 1212 O LYS A 106 -1.859 4.923 7.886 1.00 0.47 O ATOM 1213 CB LYS A 106 -1.727 7.588 9.348 1.00 0.48 C ATOM 1214 CG LYS A 106 -0.234 7.657 9.642 1.00 0.71 C ATOM 1215 CD LYS A 106 0.048 7.657 11.136 1.00 0.83 C ATOM 1216 CE LYS A 106 -0.417 8.939 11.808 1.00 1.56 C ATOM 1217 NZ LYS A 106 0.408 10.111 11.410 1.00 1.69 N ATOM 0 H LYS A 106 -3.976 6.664 8.382 1.00 0.43 H new ATOM 0 HA LYS A 106 -1.650 8.124 7.282 1.00 0.42 H new ATOM 0 HB2 LYS A 106 -2.190 8.532 9.638 1.00 0.48 H new ATOM 0 HB3 LYS A 106 -2.175 6.810 9.967 1.00 0.48 H new ATOM 0 HG2 LYS A 106 0.268 6.808 9.177 1.00 0.71 H new ATOM 0 HG3 LYS A 106 0.184 8.558 9.193 1.00 0.71 H new ATOM 0 HD2 LYS A 106 -0.451 6.805 11.598 1.00 0.83 H new ATOM 0 HD3 LYS A 106 1.118 7.529 11.302 1.00 0.83 H new ATOM 0 HE2 LYS A 106 -1.459 9.126 11.550 1.00 1.56 H new ATOM 0 HE3 LYS A 106 -0.374 8.817 12.890 1.00 1.56 H new ATOM 0 HZ1 LYS A 106 0.146 10.933 11.990 1.00 1.69 H new ATOM 0 HZ2 LYS A 106 1.414 9.892 11.554 1.00 1.69 H new ATOM 0 HZ3 LYS A 106 0.241 10.328 10.407 1.00 1.69 H new ATOM 1231 N VAL A 107 -0.420 6.061 6.596 1.00 0.37 N ATOM 1232 CA VAL A 107 0.180 4.875 6.055 1.00 0.42 C ATOM 1233 C VAL A 107 1.627 4.788 6.507 1.00 0.40 C ATOM 1234 O VAL A 107 2.319 5.802 6.635 1.00 0.54 O ATOM 1235 CB VAL A 107 0.069 4.834 4.727 1.00 0.46 C ATOM 1236 CG1 VAL A 107 0.725 6.040 4.070 1.00 1.26 C ATOM 1237 CG2 VAL A 107 0.619 3.543 4.151 1.00 1.27 C ATOM 0 H VAL A 107 -0.007 6.934 6.268 1.00 0.37 H new ATOM 0 HA VAL A 107 -0.353 4.003 6.434 1.00 0.42 H new ATOM 0 HB VAL A 107 -0.997 4.868 4.502 1.00 0.46 H new ATOM 0 HG11 VAL A 107 0.614 5.970 2.988 1.00 1.26 H new ATOM 0 HG12 VAL A 107 0.247 6.953 4.426 1.00 1.26 H new ATOM 0 HG13 VAL A 107 1.785 6.062 4.325 1.00 1.26 H new ATOM 0 HG21 VAL A 107 0.508 3.552 3.067 1.00 1.27 H new ATOM 0 HG22 VAL A 107 1.674 3.451 4.407 1.00 1.27 H new ATOM 0 HG23 VAL A 107 0.070 2.697 4.565 1.00 1.27 H new ATOM 1247 N HIS A 108 2.043 3.594 6.851 1.00 0.34 N ATOM 1248 CA HIS A 108 3.371 3.370 7.356 1.00 0.34 C ATOM 1249 C HIS A 108 4.118 2.458 6.404 1.00 0.32 C ATOM 1250 O HIS A 108 3.747 1.303 6.222 1.00 0.44 O ATOM 1251 CB HIS A 108 3.289 2.743 8.751 1.00 0.45 C ATOM 1252 CG HIS A 108 4.525 2.907 9.584 1.00 0.53 C ATOM 1253 ND1 HIS A 108 5.640 3.650 9.388 1.00 0.97 N flip ATOM 1254 CD2 HIS A 108 4.691 2.290 10.805 1.00 0.54 C flip ATOM 1255 CE1 HIS A 108 6.447 3.472 10.481 1.00 1.02 C flip ATOM 1256 NE2 HIS A 108 5.851 2.648 11.323 1.00 0.68 N flip ATOM 0 H HIS A 108 1.470 2.753 6.788 1.00 0.34 H new ATOM 0 HA HIS A 108 3.906 4.316 7.432 1.00 0.34 H new ATOM 0 HB2 HIS A 108 2.447 3.184 9.284 1.00 0.45 H new ATOM 0 HB3 HIS A 108 3.077 1.679 8.645 1.00 0.45 H new ATOM 0 HD1 HIS A 108 5.842 4.234 8.577 1.00 0.97 H new ATOM 0 HD2 HIS A 108 3.982 1.618 11.266 1.00 0.54 H new ATOM 0 HE1 HIS A 108 7.413 3.931 10.630 1.00 1.02 H new ATOM 1265 N MET A 109 5.162 2.988 5.807 1.00 0.30 N ATOM 1266 CA MET A 109 5.996 2.223 4.885 1.00 0.39 C ATOM 1267 C MET A 109 7.251 1.765 5.609 1.00 0.34 C ATOM 1268 O MET A 109 7.934 2.578 6.218 1.00 0.45 O ATOM 1269 CB MET A 109 6.407 3.081 3.679 1.00 0.65 C ATOM 1270 CG MET A 109 5.276 3.443 2.725 1.00 0.87 C ATOM 1271 SD MET A 109 4.457 1.992 2.043 1.00 2.22 S ATOM 1272 CE MET A 109 5.849 1.124 1.329 1.00 2.49 C ATOM 0 H MET A 109 5.462 3.954 5.940 1.00 0.30 H new ATOM 0 HA MET A 109 5.423 1.366 4.531 1.00 0.39 H new ATOM 0 HB2 MET A 109 6.860 4.002 4.046 1.00 0.65 H new ATOM 0 HB3 MET A 109 7.176 2.548 3.120 1.00 0.65 H new ATOM 0 HG2 MET A 109 4.544 4.056 3.251 1.00 0.87 H new ATOM 0 HG3 MET A 109 5.672 4.049 1.910 1.00 0.87 H new ATOM 0 HE1 MET A 109 5.489 0.277 0.746 1.00 2.49 H new ATOM 0 HE2 MET A 109 6.406 1.800 0.681 1.00 2.49 H new ATOM 0 HE3 MET A 109 6.501 0.765 2.125 1.00 2.49 H new ATOM 1282 N LYS A 110 7.536 0.464 5.579 1.00 0.32 N ATOM 1283 CA LYS A 110 8.720 -0.067 6.257 1.00 0.35 C ATOM 1284 C LYS A 110 9.373 -1.179 5.438 1.00 0.32 C ATOM 1285 O LYS A 110 8.751 -2.190 5.146 1.00 0.45 O ATOM 1286 CB LYS A 110 8.362 -0.602 7.645 1.00 0.50 C ATOM 1287 CG LYS A 110 7.787 0.446 8.580 1.00 0.97 C ATOM 1288 CD LYS A 110 7.662 -0.076 10.002 1.00 0.91 C ATOM 1289 CE LYS A 110 8.979 0.021 10.774 1.00 1.31 C ATOM 1290 NZ LYS A 110 10.069 -0.803 10.178 1.00 1.57 N ATOM 0 H LYS A 110 6.971 -0.236 5.098 1.00 0.32 H new ATOM 0 HA LYS A 110 9.428 0.755 6.363 1.00 0.35 H new ATOM 0 HB2 LYS A 110 7.641 -1.412 7.536 1.00 0.50 H new ATOM 0 HB3 LYS A 110 9.255 -1.029 8.100 1.00 0.50 H new ATOM 0 HG2 LYS A 110 8.425 1.330 8.572 1.00 0.97 H new ATOM 0 HG3 LYS A 110 6.807 0.757 8.219 1.00 0.97 H new ATOM 0 HD2 LYS A 110 6.893 0.489 10.528 1.00 0.91 H new ATOM 0 HD3 LYS A 110 7.333 -1.115 9.978 1.00 0.91 H new ATOM 0 HE2 LYS A 110 9.297 1.063 10.808 1.00 1.31 H new ATOM 0 HE3 LYS A 110 8.814 -0.296 11.804 1.00 1.31 H new ATOM 0 HZ1 LYS A 110 10.789 -1.003 10.902 1.00 1.57 H new ATOM 0 HZ2 LYS A 110 9.674 -1.699 9.826 1.00 1.57 H new ATOM 0 HZ3 LYS A 110 10.506 -0.284 9.390 1.00 1.57 H new ATOM 1304 N LYS A 111 10.632 -0.983 5.095 1.00 0.37 N ATOM 1305 CA LYS A 111 11.381 -1.923 4.261 1.00 0.38 C ATOM 1306 C LYS A 111 11.736 -3.186 5.049 1.00 0.43 C ATOM 1307 O LYS A 111 12.255 -3.088 6.165 1.00 0.60 O ATOM 1308 CB LYS A 111 12.656 -1.237 3.768 1.00 0.49 C ATOM 1309 CG LYS A 111 13.282 -1.886 2.548 1.00 0.56 C ATOM 1310 CD LYS A 111 14.559 -1.173 2.137 1.00 1.03 C ATOM 1311 CE LYS A 111 15.178 -1.807 0.902 1.00 1.49 C ATOM 1312 NZ LYS A 111 16.410 -1.093 0.480 1.00 2.13 N ATOM 0 H LYS A 111 11.172 -0.167 5.384 1.00 0.37 H new ATOM 0 HA LYS A 111 10.765 -2.219 3.412 1.00 0.38 H new ATOM 0 HB2 LYS A 111 12.428 -0.197 3.535 1.00 0.49 H new ATOM 0 HB3 LYS A 111 13.387 -1.230 4.577 1.00 0.49 H new ATOM 0 HG2 LYS A 111 13.500 -2.932 2.762 1.00 0.56 H new ATOM 0 HG3 LYS A 111 12.572 -1.871 1.721 1.00 0.56 H new ATOM 0 HD2 LYS A 111 14.343 -0.123 1.939 1.00 1.03 H new ATOM 0 HD3 LYS A 111 15.274 -1.202 2.959 1.00 1.03 H new ATOM 0 HE2 LYS A 111 15.414 -2.851 1.108 1.00 1.49 H new ATOM 0 HE3 LYS A 111 14.455 -1.799 0.087 1.00 1.49 H new ATOM 0 HZ1 LYS A 111 16.452 -1.057 -0.559 1.00 2.13 H new ATOM 0 HZ2 LYS A 111 16.397 -0.125 0.860 1.00 2.13 H new ATOM 0 HZ3 LYS A 111 17.245 -1.596 0.843 1.00 2.13 H new ATOM 1326 N ALA A 112 11.473 -4.361 4.465 1.00 0.44 N ATOM 1327 CA ALA A 112 11.728 -5.634 5.143 1.00 0.59 C ATOM 1328 C ALA A 112 11.528 -6.834 4.206 1.00 0.92 C ATOM 1329 O ALA A 112 11.517 -6.678 2.989 1.00 1.57 O ATOM 1330 CB ALA A 112 10.813 -5.770 6.351 1.00 0.96 C ATOM 0 H ALA A 112 11.085 -4.455 3.527 1.00 0.44 H new ATOM 0 HA ALA A 112 12.770 -5.632 5.464 1.00 0.59 H new ATOM 0 HB1 ALA A 112 11.008 -6.719 6.850 1.00 0.96 H new ATOM 0 HB2 ALA A 112 11.001 -4.950 7.044 1.00 0.96 H new ATOM 0 HB3 ALA A 112 9.773 -5.739 6.025 1.00 0.96 H new ATOM 1336 N LEU A 113 11.345 -8.009 4.832 1.00 1.01 N ATOM 1337 CA LEU A 113 11.105 -9.319 4.181 1.00 1.49 C ATOM 1338 C LEU A 113 11.801 -9.536 2.846 1.00 1.26 C ATOM 1339 O LEU A 113 11.440 -8.930 1.837 1.00 2.05 O ATOM 1340 CB LEU A 113 9.611 -9.582 4.017 1.00 2.52 C ATOM 1341 CG LEU A 113 9.244 -11.058 3.808 1.00 3.38 C ATOM 1342 CD1 LEU A 113 9.817 -11.915 4.929 1.00 3.91 C ATOM 1343 CD2 LEU A 113 7.735 -11.231 3.735 1.00 4.41 C ATOM 0 H LEU A 113 11.360 -8.081 5.849 1.00 1.01 H new ATOM 0 HA LEU A 113 11.557 -10.034 4.868 1.00 1.49 H new ATOM 0 HB2 LEU A 113 9.091 -9.213 4.901 1.00 2.52 H new ATOM 0 HB3 LEU A 113 9.245 -9.006 3.168 1.00 2.52 H new ATOM 0 HG LEU A 113 9.677 -11.385 2.862 1.00 3.38 H new ATOM 0 HD11 LEU A 113 9.547 -12.958 4.764 1.00 3.91 H new ATOM 0 HD12 LEU A 113 10.903 -11.819 4.942 1.00 3.91 H new ATOM 0 HD13 LEU A 113 9.412 -11.582 5.885 1.00 3.91 H new ATOM 0 HD21 LEU A 113 7.496 -12.284 3.587 1.00 4.41 H new ATOM 0 HD22 LEU A 113 7.284 -10.884 4.665 1.00 4.41 H new ATOM 0 HD23 LEU A 113 7.342 -10.649 2.901 1.00 4.41 H new ATOM 1355 N SER A 114 12.776 -10.463 2.892 1.00 1.21 N ATOM 1356 CA SER A 114 13.535 -10.949 1.733 1.00 1.56 C ATOM 1357 C SER A 114 12.844 -10.647 0.416 1.00 1.72 C ATOM 1358 O SER A 114 11.902 -11.336 0.010 1.00 2.36 O ATOM 1359 CB SER A 114 13.715 -12.455 1.862 1.00 2.13 C ATOM 1360 OG SER A 114 14.158 -12.796 3.167 1.00 2.55 O ATOM 0 H SER A 114 13.063 -10.906 3.765 1.00 1.21 H new ATOM 0 HA SER A 114 14.495 -10.433 1.726 1.00 1.56 H new ATOM 0 HB2 SER A 114 12.772 -12.959 1.649 1.00 2.13 H new ATOM 0 HB3 SER A 114 14.437 -12.805 1.124 1.00 2.13 H new ATOM 0 HG SER A 114 14.267 -13.768 3.232 1.00 2.55 H new ATOM 1366 N GLY A 115 13.294 -9.594 -0.221 1.00 1.73 N ATOM 1367 CA GLY A 115 12.680 -9.167 -1.444 1.00 2.05 C ATOM 1368 C GLY A 115 12.845 -7.684 -1.655 1.00 1.87 C ATOM 1369 O GLY A 115 12.514 -7.156 -2.715 1.00 2.62 O ATOM 0 H GLY A 115 14.080 -9.022 0.089 1.00 1.73 H new ATOM 0 HA2 GLY A 115 13.122 -9.706 -2.282 1.00 2.05 H new ATOM 0 HA3 GLY A 115 11.619 -9.418 -1.427 1.00 2.05 H new ATOM 1373 N ASP A 116 13.363 -7.017 -0.619 1.00 1.38 N ATOM 1374 CA ASP A 116 13.479 -5.563 -0.592 1.00 1.29 C ATOM 1375 C ASP A 116 12.112 -4.931 -0.731 1.00 1.01 C ATOM 1376 O ASP A 116 11.968 -3.782 -1.150 1.00 1.32 O ATOM 1377 CB ASP A 116 14.442 -5.049 -1.666 1.00 1.58 C ATOM 1378 CG ASP A 116 15.888 -5.328 -1.315 1.00 2.09 C ATOM 1379 OD1 ASP A 116 16.481 -6.261 -1.893 1.00 2.76 O ATOM 1380 OD2 ASP A 116 16.444 -4.611 -0.452 1.00 2.42 O ATOM 0 H ASP A 116 13.713 -7.474 0.223 1.00 1.38 H new ATOM 0 HA ASP A 116 13.900 -5.274 0.371 1.00 1.29 H new ATOM 0 HB2 ASP A 116 14.204 -5.519 -2.620 1.00 1.58 H new ATOM 0 HB3 ASP A 116 14.301 -3.976 -1.795 1.00 1.58 H new ATOM 1385 N SER A 117 11.111 -5.702 -0.348 1.00 0.60 N ATOM 1386 CA SER A 117 9.751 -5.239 -0.314 1.00 0.36 C ATOM 1387 C SER A 117 9.506 -4.478 0.983 1.00 0.34 C ATOM 1388 O SER A 117 10.360 -4.452 1.868 1.00 0.54 O ATOM 1389 CB SER A 117 8.789 -6.425 -0.459 1.00 0.35 C ATOM 1390 OG SER A 117 9.235 -7.539 0.304 1.00 1.07 O ATOM 0 H SER A 117 11.227 -6.671 -0.052 1.00 0.60 H new ATOM 0 HA SER A 117 9.571 -4.561 -1.148 1.00 0.36 H new ATOM 0 HB2 SER A 117 7.792 -6.131 -0.131 1.00 0.35 H new ATOM 0 HB3 SER A 117 8.709 -6.707 -1.509 1.00 0.35 H new ATOM 0 HG SER A 117 8.567 -7.755 0.988 1.00 1.07 H new ATOM 1396 N TYR A 118 8.363 -3.844 1.094 1.00 0.22 N ATOM 1397 CA TYR A 118 8.071 -3.028 2.236 1.00 0.24 C ATOM 1398 C TYR A 118 6.738 -3.440 2.818 1.00 0.24 C ATOM 1399 O TYR A 118 5.866 -3.946 2.111 1.00 0.26 O ATOM 1400 CB TYR A 118 8.042 -1.553 1.826 1.00 0.30 C ATOM 1401 CG TYR A 118 9.006 -1.237 0.706 1.00 0.32 C ATOM 1402 CD1 TYR A 118 8.568 -1.104 -0.603 1.00 0.42 C ATOM 1403 CD2 TYR A 118 10.353 -1.032 0.971 1.00 0.57 C ATOM 1404 CE1 TYR A 118 9.446 -0.779 -1.617 1.00 0.55 C ATOM 1405 CE2 TYR A 118 11.237 -0.713 -0.038 1.00 0.72 C ATOM 1406 CZ TYR A 118 10.776 -0.729 -1.371 1.00 0.67 C ATOM 1407 OH TYR A 118 11.648 -0.243 -2.334 1.00 0.86 O ATOM 0 H TYR A 118 7.618 -3.882 0.398 1.00 0.22 H new ATOM 0 HA TYR A 118 8.846 -3.163 2.991 1.00 0.24 H new ATOM 0 HB2 TYR A 118 7.032 -1.287 1.515 1.00 0.30 H new ATOM 0 HB3 TYR A 118 8.283 -0.935 2.691 1.00 0.30 H new ATOM 0 HD1 TYR A 118 7.524 -1.257 -0.832 1.00 0.42 H new ATOM 0 HD2 TYR A 118 10.715 -1.124 1.984 1.00 0.57 H new ATOM 0 HE1 TYR A 118 9.072 -0.565 -2.607 1.00 0.55 H new ATOM 0 HE2 TYR A 118 12.261 -0.456 0.188 1.00 0.72 H new ATOM 0 HH TYR A 118 12.566 -0.277 -1.991 1.00 0.86 H new ATOM 1417 N TRP A 119 6.584 -3.207 4.094 1.00 0.27 N ATOM 1418 CA TRP A 119 5.347 -3.481 4.771 1.00 0.30 C ATOM 1419 C TRP A 119 4.592 -2.186 4.929 1.00 0.33 C ATOM 1420 O TRP A 119 4.993 -1.304 5.689 1.00 0.38 O ATOM 1421 CB TRP A 119 5.610 -4.110 6.135 1.00 0.36 C ATOM 1422 CG TRP A 119 5.867 -5.587 6.081 1.00 0.38 C ATOM 1423 CD1 TRP A 119 7.075 -6.219 6.158 1.00 0.48 C ATOM 1424 CD2 TRP A 119 4.883 -6.619 5.943 1.00 0.42 C ATOM 1425 NE1 TRP A 119 6.900 -7.581 6.079 1.00 0.52 N ATOM 1426 CE2 TRP A 119 5.564 -7.850 5.946 1.00 0.48 C ATOM 1427 CE3 TRP A 119 3.490 -6.621 5.822 1.00 0.52 C ATOM 1428 CZ2 TRP A 119 4.902 -9.070 5.829 1.00 0.56 C ATOM 1429 CZ3 TRP A 119 2.833 -7.832 5.704 1.00 0.63 C ATOM 1430 CH2 TRP A 119 3.539 -9.042 5.710 1.00 0.62 C ATOM 0 H TRP A 119 7.314 -2.821 4.693 1.00 0.27 H new ATOM 0 HA TRP A 119 4.757 -4.187 4.186 1.00 0.30 H new ATOM 0 HB2 TRP A 119 6.468 -3.618 6.592 1.00 0.36 H new ATOM 0 HB3 TRP A 119 4.753 -3.923 6.782 1.00 0.36 H new ATOM 0 HD1 TRP A 119 8.028 -5.722 6.265 1.00 0.48 H new ATOM 0 HE1 TRP A 119 7.644 -8.277 6.114 1.00 0.52 H new ATOM 0 HE3 TRP A 119 2.937 -5.693 5.821 1.00 0.52 H new ATOM 0 HZ2 TRP A 119 5.445 -10.004 5.832 1.00 0.56 H new ATOM 0 HZ3 TRP A 119 1.758 -7.845 5.606 1.00 0.63 H new ATOM 0 HH2 TRP A 119 2.997 -9.971 5.619 1.00 0.62 H new ATOM 1441 N VAL A 120 3.517 -2.069 4.182 1.00 0.33 N ATOM 1442 CA VAL A 120 2.723 -0.868 4.185 1.00 0.37 C ATOM 1443 C VAL A 120 1.465 -1.058 5.039 1.00 0.40 C ATOM 1444 O VAL A 120 0.517 -1.755 4.670 1.00 0.55 O ATOM 1445 CB VAL A 120 2.439 -0.491 2.932 1.00 0.40 C ATOM 1446 CG1 VAL A 120 1.931 -1.650 2.085 1.00 0.90 C ATOM 1447 CG2 VAL A 120 1.452 0.662 2.892 1.00 0.91 C ATOM 0 H VAL A 120 3.173 -2.801 3.560 1.00 0.33 H new ATOM 0 HA VAL A 120 3.298 -0.061 4.639 1.00 0.37 H new ATOM 0 HB VAL A 120 3.379 -0.146 2.502 1.00 0.40 H new ATOM 0 HG11 VAL A 120 1.714 -1.296 1.077 1.00 0.90 H new ATOM 0 HG12 VAL A 120 2.692 -2.429 2.040 1.00 0.90 H new ATOM 0 HG13 VAL A 120 1.023 -2.056 2.531 1.00 0.90 H new ATOM 0 HG21 VAL A 120 1.252 0.934 1.856 1.00 0.91 H new ATOM 0 HG22 VAL A 120 0.522 0.362 3.375 1.00 0.91 H new ATOM 0 HG23 VAL A 120 1.873 1.520 3.417 1.00 0.91 H new ATOM 1457 N PHE A 121 1.490 -0.432 6.207 1.00 0.39 N ATOM 1458 CA PHE A 121 0.409 -0.547 7.173 1.00 0.41 C ATOM 1459 C PHE A 121 -0.445 0.707 7.147 1.00 0.41 C ATOM 1460 O PHE A 121 0.085 1.814 7.098 1.00 0.49 O ATOM 1461 CB PHE A 121 0.966 -0.729 8.592 1.00 0.48 C ATOM 1462 CG PHE A 121 1.924 -1.877 8.752 1.00 0.53 C ATOM 1463 CD1 PHE A 121 3.288 -1.653 8.837 1.00 0.56 C ATOM 1464 CD2 PHE A 121 1.459 -3.181 8.801 1.00 0.69 C ATOM 1465 CE1 PHE A 121 4.171 -2.710 8.968 1.00 0.65 C ATOM 1466 CE2 PHE A 121 2.335 -4.240 8.934 1.00 0.79 C ATOM 1467 CZ PHE A 121 3.696 -3.992 9.081 1.00 0.73 C ATOM 0 H PHE A 121 2.258 0.168 6.510 1.00 0.39 H new ATOM 0 HA PHE A 121 -0.191 -1.416 6.905 1.00 0.41 H new ATOM 0 HB2 PHE A 121 1.470 0.190 8.890 1.00 0.48 H new ATOM 0 HB3 PHE A 121 0.132 -0.872 9.279 1.00 0.48 H new ATOM 0 HD1 PHE A 121 3.667 -0.642 8.801 1.00 0.56 H new ATOM 0 HD2 PHE A 121 0.398 -3.372 8.734 1.00 0.69 H new ATOM 0 HE1 PHE A 121 5.235 -2.526 8.981 1.00 0.65 H new ATOM 0 HE2 PHE A 121 1.966 -5.255 8.924 1.00 0.79 H new ATOM 0 HZ PHE A 121 4.376 -4.806 9.283 1.00 0.73 H new ATOM 1477 N VAL A 122 -1.757 0.543 7.184 1.00 0.42 N ATOM 1478 CA VAL A 122 -2.658 1.687 7.184 1.00 0.51 C ATOM 1479 C VAL A 122 -3.529 1.728 8.433 1.00 0.54 C ATOM 1480 O VAL A 122 -3.849 0.690 9.018 1.00 0.76 O ATOM 1481 CB VAL A 122 -3.439 1.730 6.110 1.00 0.67 C ATOM 1482 CG1 VAL A 122 -2.622 2.056 4.864 1.00 1.18 C ATOM 1483 CG2 VAL A 122 -4.212 0.431 5.918 1.00 1.16 C ATOM 0 H VAL A 122 -2.221 -0.365 7.214 1.00 0.42 H new ATOM 0 HA VAL A 122 -2.007 2.561 7.170 1.00 0.51 H new ATOM 0 HB VAL A 122 -4.168 2.524 6.269 1.00 0.67 H new ATOM 0 HG11 VAL A 122 -3.280 2.087 3.995 1.00 1.18 H new ATOM 0 HG12 VAL A 122 -2.140 3.026 4.988 1.00 1.18 H new ATOM 0 HG13 VAL A 122 -1.862 1.289 4.717 1.00 1.18 H new ATOM 0 HG21 VAL A 122 -4.838 0.508 5.029 1.00 1.16 H new ATOM 0 HG22 VAL A 122 -3.511 -0.395 5.797 1.00 1.16 H new ATOM 0 HG23 VAL A 122 -4.840 0.249 6.790 1.00 1.16 H new ATOM 1493 N LYS A 123 -3.839 2.944 8.870 1.00 0.52 N ATOM 1494 CA LYS A 123 -4.760 3.177 9.978 1.00 0.66 C ATOM 1495 C LYS A 123 -5.483 4.495 9.766 1.00 0.55 C ATOM 1496 O LYS A 123 -4.965 5.389 9.101 1.00 0.51 O ATOM 1497 CB LYS A 123 -4.040 3.234 11.332 1.00 0.93 C ATOM 1498 CG LYS A 123 -3.500 1.905 11.829 1.00 1.36 C ATOM 1499 CD LYS A 123 -3.137 1.985 13.306 1.00 1.80 C ATOM 1500 CE LYS A 123 -2.106 3.071 13.572 1.00 2.62 C ATOM 1501 NZ LYS A 123 -1.974 3.367 15.023 1.00 3.31 N ATOM 0 H LYS A 123 -3.458 3.799 8.465 1.00 0.52 H new ATOM 0 HA LYS A 123 -5.459 2.341 9.996 1.00 0.66 H new ATOM 0 HB2 LYS A 123 -3.213 3.940 11.257 1.00 0.93 H new ATOM 0 HB3 LYS A 123 -4.730 3.630 12.077 1.00 0.93 H new ATOM 0 HG2 LYS A 123 -4.245 1.125 11.675 1.00 1.36 H new ATOM 0 HG3 LYS A 123 -2.621 1.625 11.249 1.00 1.36 H new ATOM 0 HD2 LYS A 123 -4.035 2.184 13.891 1.00 1.80 H new ATOM 0 HD3 LYS A 123 -2.747 1.023 13.638 1.00 1.80 H new ATOM 0 HE2 LYS A 123 -1.140 2.759 13.176 1.00 2.62 H new ATOM 0 HE3 LYS A 123 -2.390 3.979 13.041 1.00 2.62 H new ATOM 0 HZ1 LYS A 123 -1.262 4.112 15.162 1.00 3.31 H new ATOM 0 HZ2 LYS A 123 -2.890 3.689 15.396 1.00 3.31 H new ATOM 0 HZ3 LYS A 123 -1.678 2.507 15.527 1.00 3.31 H new ATOM 1515 N ARG A 124 -6.670 4.622 10.334 1.00 0.67 N ATOM 1516 CA ARG A 124 -7.404 5.875 10.266 1.00 0.76 C ATOM 1517 C ARG A 124 -7.255 6.637 11.573 1.00 0.85 C ATOM 1518 O ARG A 124 -7.585 6.125 12.643 1.00 0.96 O ATOM 1519 CB ARG A 124 -8.887 5.638 9.952 1.00 1.03 C ATOM 1520 CG ARG A 124 -9.578 4.669 10.900 1.00 1.58 C ATOM 1521 CD ARG A 124 -11.084 4.690 10.709 1.00 2.10 C ATOM 1522 NE ARG A 124 -11.475 4.408 9.327 1.00 2.55 N ATOM 1523 CZ ARG A 124 -12.409 5.093 8.666 1.00 3.32 C ATOM 1524 NH1 ARG A 124 -13.021 6.120 9.247 1.00 3.80 N ATOM 1525 NH2 ARG A 124 -12.721 4.756 7.421 1.00 4.03 N ATOM 0 H ARG A 124 -7.144 3.878 10.845 1.00 0.67 H new ATOM 0 HA ARG A 124 -6.984 6.470 9.455 1.00 0.76 H new ATOM 0 HB2 ARG A 124 -9.410 6.594 9.982 1.00 1.03 H new ATOM 0 HB3 ARG A 124 -8.975 5.258 8.934 1.00 1.03 H new ATOM 0 HG2 ARG A 124 -9.202 3.660 10.730 1.00 1.58 H new ATOM 0 HG3 ARG A 124 -9.336 4.930 11.930 1.00 1.58 H new ATOM 0 HD2 ARG A 124 -11.542 3.954 11.371 1.00 2.10 H new ATOM 0 HD3 ARG A 124 -11.471 5.666 11.001 1.00 2.10 H new ATOM 0 HE ARG A 124 -11.006 3.643 8.841 1.00 2.55 H new ATOM 0 HH11 ARG A 124 -12.777 6.386 10.201 1.00 3.80 H new ATOM 0 HH12 ARG A 124 -13.735 6.642 8.739 1.00 3.80 H new ATOM 0 HH21 ARG A 124 -12.247 3.974 6.970 1.00 4.03 H new ATOM 0 HH22 ARG A 124 -13.435 5.279 6.915 1.00 4.03 H new ATOM 1539 N VAL A 125 -6.738 7.849 11.485 1.00 1.06 N ATOM 1540 CA VAL A 125 -6.562 8.686 12.658 1.00 1.33 C ATOM 1541 C VAL A 125 -7.704 9.689 12.775 1.00 2.00 C ATOM 1542 O VAL A 125 -8.514 9.553 13.712 1.00 2.87 O ATOM 1543 CB VAL A 125 -5.389 9.311 12.664 1.00 1.50 C ATOM 1544 CG1 VAL A 125 -4.297 8.359 13.135 1.00 2.10 C ATOM 1545 CG2 VAL A 125 -5.033 9.884 11.297 1.00 2.08 C ATOM 1546 OXT VAL A 125 -7.821 10.574 11.903 1.00 2.26 O ATOM 0 H VAL A 125 -6.432 8.277 10.611 1.00 1.06 H new ATOM 0 HA VAL A 125 -6.577 8.027 13.526 1.00 1.33 H new ATOM 0 HB VAL A 125 -5.468 10.150 13.355 1.00 1.50 H new ATOM 0 HG11 VAL A 125 -3.338 8.878 13.137 1.00 2.10 H new ATOM 0 HG12 VAL A 125 -4.525 8.014 14.143 1.00 2.10 H new ATOM 0 HG13 VAL A 125 -4.245 7.503 12.462 1.00 2.10 H new ATOM 0 HG21 VAL A 125 -4.066 10.385 11.353 1.00 2.08 H new ATOM 0 HG22 VAL A 125 -4.982 9.077 10.566 1.00 2.08 H new ATOM 0 HG23 VAL A 125 -5.796 10.601 10.993 1.00 2.08 H new