USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 495 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 67 THR OG1 : rot -39:sc= 1.18 USER MOD Set 1.2: A 76 ASN : amide:sc= 0.984 K(o=2.2,f=-2!) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 HIS :FLIP no HD1:sc= -0.116 F(o=-0.9,f=-0.12) USER MOD Single : A 35 THR OG1 : rot 169:sc= -0.272 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.435 USER MOD Single : A 40 SER OG : rot 134:sc= -0.624 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 139:sc= 0.334 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= -0.0169 (180deg=-0.362) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.419 USER MOD Single : A 60 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.185) USER MOD Single : A 61 THR OG1 : rot -76:sc= 1.1 USER MOD Single : A 63 MET CE :methyl -131:sc= -0.111 (180deg=-0.713) USER MOD Single : A 65 MET CE :methyl -132:sc= -0.898 (180deg=-1.13) USER MOD Single : A 69 MET CE :methyl 155:sc= -0.0983 (180deg=-0.897) USER MOD Single : A 71 ASN :FLIP amide:sc= -0.954 F(o=-2.1!,f=-0.95) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -151:sc= -0.572 (180deg=-2.01!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 3.528 4.051 -3.453 1.00 0.00 N ATOM 2 CA GLY A 25 3.277 2.647 -3.023 1.00 0.00 C ATOM 3 C GLY A 25 4.535 2.077 -2.380 1.00 0.00 C ATOM 4 O GLY A 25 4.551 1.764 -1.189 1.00 0.00 O ATOM 0 HA2 GLY A 25 2.448 2.615 -2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.987 2.040 -3.880 1.00 0.00 H new ATOM 7 N PRO A 26 5.581 1.937 -3.148 1.00 0.00 N ATOM 8 CA PRO A 26 6.886 1.392 -2.658 1.00 0.00 C ATOM 9 C PRO A 26 7.458 2.224 -1.512 1.00 0.00 C ATOM 10 O PRO A 26 7.305 3.444 -1.483 1.00 0.00 O ATOM 11 CB PRO A 26 7.799 1.467 -3.889 1.00 0.00 C ATOM 12 CG PRO A 26 6.874 1.527 -5.059 1.00 0.00 C ATOM 13 CD PRO A 26 5.643 2.283 -4.576 1.00 0.00 C ATOM 0 HA PRO A 26 6.783 0.383 -2.258 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.442 2.346 -3.850 1.00 0.00 H new ATOM 0 HB3 PRO A 26 8.453 0.597 -3.948 1.00 0.00 H new ATOM 0 HG2 PRO A 26 7.341 2.038 -5.901 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.609 0.526 -5.400 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.745 3.358 -4.727 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.744 1.970 -5.106 1.00 0.00 H new ATOM 21 N PHE A 27 8.117 1.556 -0.570 1.00 0.00 N ATOM 22 CA PHE A 27 8.706 2.246 0.570 1.00 0.00 C ATOM 23 C PHE A 27 10.228 2.176 0.506 1.00 0.00 C ATOM 24 O PHE A 27 10.797 1.137 0.170 1.00 0.00 O ATOM 25 CB PHE A 27 8.216 1.611 1.874 1.00 0.00 C ATOM 26 CG PHE A 27 6.722 1.807 1.999 1.00 0.00 C ATOM 27 CD1 PHE A 27 5.844 0.820 1.537 1.00 0.00 C ATOM 28 CD2 PHE A 27 6.217 2.978 2.578 1.00 0.00 C ATOM 29 CE1 PHE A 27 4.460 1.002 1.654 1.00 0.00 C ATOM 30 CE2 PHE A 27 4.834 3.160 2.695 1.00 0.00 C ATOM 31 CZ PHE A 27 3.956 2.173 2.233 1.00 0.00 C ATOM 0 H PHE A 27 8.255 0.545 -0.574 1.00 0.00 H new ATOM 0 HA PHE A 27 8.400 3.292 0.539 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.456 0.548 1.886 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.725 2.063 2.725 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.234 -0.083 1.090 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.894 3.740 2.934 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.783 0.240 1.298 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.444 4.063 3.142 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.889 2.315 2.323 1.00 0.00 H new ATOM 41 N CYS A 28 10.882 3.287 0.830 1.00 0.00 N ATOM 42 CA CYS A 28 12.337 3.340 0.803 1.00 0.00 C ATOM 43 C CYS A 28 12.884 3.554 2.209 1.00 0.00 C ATOM 44 O CYS A 28 12.270 4.238 3.028 1.00 0.00 O ATOM 45 CB CYS A 28 12.805 4.477 -0.107 1.00 0.00 C ATOM 46 SG CYS A 28 12.224 4.180 -1.796 1.00 0.00 S ATOM 0 H CYS A 28 10.430 4.157 1.112 1.00 0.00 H new ATOM 0 HA CYS A 28 12.711 2.392 0.416 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.422 5.430 0.258 1.00 0.00 H new ATOM 0 HB3 CYS A 28 13.893 4.544 -0.092 1.00 0.00 H new ATOM 0 HG CYS A 28 12.620 5.148 -2.568 1.00 0.00 H new ATOM 52 N GLY A 29 14.035 2.953 2.482 1.00 0.00 N ATOM 53 CA GLY A 29 14.656 3.072 3.796 1.00 0.00 C ATOM 54 C GLY A 29 15.778 2.050 3.964 1.00 0.00 C ATOM 55 O GLY A 29 16.545 1.792 3.036 1.00 0.00 O ATOM 0 H GLY A 29 14.555 2.382 1.816 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.054 4.079 3.925 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.905 2.924 4.572 1.00 0.00 H new ATOM 59 N ARG A 30 15.867 1.473 5.158 1.00 0.00 N ATOM 60 CA ARG A 30 16.898 0.481 5.445 1.00 0.00 C ATOM 61 C ARG A 30 16.270 -0.870 5.773 1.00 0.00 C ATOM 62 O ARG A 30 15.124 -0.942 6.215 1.00 0.00 O ATOM 63 CB ARG A 30 17.753 0.947 6.622 1.00 0.00 C ATOM 64 CG ARG A 30 18.896 1.818 6.106 1.00 0.00 C ATOM 65 CD ARG A 30 19.021 3.065 6.981 1.00 0.00 C ATOM 66 NE ARG A 30 19.116 2.696 8.390 1.00 0.00 N ATOM 67 CZ ARG A 30 18.907 3.590 9.361 1.00 0.00 C ATOM 68 NH1 ARG A 30 18.609 4.835 9.078 1.00 0.00 N ATOM 69 NH2 ARG A 30 18.996 3.221 10.608 1.00 0.00 N ATOM 0 H ARG A 30 15.242 1.673 5.939 1.00 0.00 H new ATOM 0 HA ARG A 30 17.525 0.370 4.560 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.143 1.510 7.328 1.00 0.00 H new ATOM 0 HB3 ARG A 30 18.151 0.086 7.160 1.00 0.00 H new ATOM 0 HG2 ARG A 30 19.830 1.256 6.119 1.00 0.00 H new ATOM 0 HG3 ARG A 30 18.711 2.104 5.071 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.903 3.634 6.688 1.00 0.00 H new ATOM 0 HD3 ARG A 30 18.158 3.712 6.826 1.00 0.00 H new ATOM 0 HE ARG A 30 19.347 1.734 8.639 1.00 0.00 H new ATOM 0 HH11 ARG A 30 18.534 5.133 8.105 1.00 0.00 H new ATOM 0 HH12 ARG A 30 18.452 5.506 9.830 1.00 0.00 H new ATOM 0 HH21 ARG A 30 19.224 2.254 10.839 1.00 0.00 H new ATOM 0 HH22 ARG A 30 18.837 3.899 11.353 1.00 0.00 H new ATOM 83 N ALA A 31 17.030 -1.937 5.549 1.00 0.00 N ATOM 84 CA ALA A 31 16.539 -3.282 5.823 1.00 0.00 C ATOM 85 C ALA A 31 17.467 -3.998 6.800 1.00 0.00 C ATOM 86 O ALA A 31 18.690 -3.921 6.681 1.00 0.00 O ATOM 87 CB ALA A 31 16.447 -4.075 4.518 1.00 0.00 C ATOM 0 H ALA A 31 17.981 -1.897 5.181 1.00 0.00 H new ATOM 0 HA ALA A 31 15.548 -3.209 6.272 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.080 -5.080 4.728 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.762 -3.573 3.835 1.00 0.00 H new ATOM 0 HB3 ALA A 31 17.434 -4.138 4.060 1.00 0.00 H new ATOM 93 N ARG A 32 16.880 -4.697 7.765 1.00 0.00 N ATOM 94 CA ARG A 32 17.663 -5.422 8.751 1.00 0.00 C ATOM 95 C ARG A 32 17.744 -6.898 8.382 1.00 0.00 C ATOM 96 O ARG A 32 16.724 -7.583 8.306 1.00 0.00 O ATOM 97 CB ARG A 32 17.018 -5.286 10.129 1.00 0.00 C ATOM 98 CG ARG A 32 18.103 -5.206 11.199 1.00 0.00 C ATOM 99 CD ARG A 32 18.196 -3.774 11.717 1.00 0.00 C ATOM 100 NE ARG A 32 19.314 -3.657 12.645 1.00 0.00 N ATOM 101 CZ ARG A 32 19.267 -4.184 13.872 1.00 0.00 C ATOM 102 NH1 ARG A 32 18.208 -4.836 14.285 1.00 0.00 N ATOM 103 NH2 ARG A 32 20.291 -4.053 14.669 1.00 0.00 N ATOM 0 H ARG A 32 15.870 -4.775 7.883 1.00 0.00 H new ATOM 0 HA ARG A 32 18.668 -5.001 8.772 1.00 0.00 H new ATOM 0 HB2 ARG A 32 16.394 -4.393 10.163 1.00 0.00 H new ATOM 0 HB3 ARG A 32 16.366 -6.138 10.322 1.00 0.00 H new ATOM 0 HG2 ARG A 32 17.873 -5.887 12.018 1.00 0.00 H new ATOM 0 HG3 ARG A 32 19.062 -5.518 10.785 1.00 0.00 H new ATOM 0 HD2 ARG A 32 18.329 -3.084 10.884 1.00 0.00 H new ATOM 0 HD3 ARG A 32 17.267 -3.497 12.215 1.00 0.00 H new ATOM 0 HE ARG A 32 20.154 -3.160 12.350 1.00 0.00 H new ATOM 0 HH11 ARG A 32 17.404 -4.947 13.667 1.00 0.00 H new ATOM 0 HH12 ARG A 32 18.187 -5.233 15.225 1.00 0.00 H new ATOM 0 HH21 ARG A 32 21.121 -3.551 14.354 1.00 0.00 H new ATOM 0 HH22 ARG A 32 20.262 -4.453 15.607 1.00 0.00 H new ATOM 117 N VAL A 33 18.956 -7.382 8.152 1.00 0.00 N ATOM 118 CA VAL A 33 19.152 -8.780 7.790 1.00 0.00 C ATOM 119 C VAL A 33 18.849 -9.695 8.970 1.00 0.00 C ATOM 120 O VAL A 33 19.354 -9.488 10.074 1.00 0.00 O ATOM 121 CB VAL A 33 20.598 -8.994 7.341 1.00 0.00 C ATOM 122 CG1 VAL A 33 20.872 -10.486 7.156 1.00 0.00 C ATOM 123 CG2 VAL A 33 20.828 -8.280 6.010 1.00 0.00 C ATOM 0 H VAL A 33 19.814 -6.833 8.209 1.00 0.00 H new ATOM 0 HA VAL A 33 18.469 -9.024 6.976 1.00 0.00 H new ATOM 0 HB VAL A 33 21.268 -8.592 8.101 1.00 0.00 H new ATOM 0 HG11 VAL A 33 21.904 -10.629 6.836 1.00 0.00 H new ATOM 0 HG12 VAL A 33 20.709 -11.006 8.100 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.198 -10.889 6.399 1.00 0.00 H new ATOM 0 HG21 VAL A 33 21.859 -8.432 5.689 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.150 -8.685 5.258 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.639 -7.213 6.132 1.00 0.00 H new ATOM 133 N HIS A 34 18.028 -10.713 8.724 1.00 0.00 N ATOM 134 CA HIS A 34 17.671 -11.666 9.765 1.00 0.00 C ATOM 135 C HIS A 34 18.328 -13.016 9.511 1.00 0.00 C ATOM 136 O HIS A 34 18.502 -13.808 10.439 1.00 0.00 O ATOM 137 CB HIS A 34 16.158 -11.845 9.820 1.00 0.00 C ATOM 138 CG HIS A 34 15.567 -10.828 10.752 1.00 0.00 C ATOM 139 ND1 HIS A 34 14.774 -9.734 10.530 1.00 0.00 N flip ATOM 140 CD2 HIS A 34 15.767 -10.880 12.122 1.00 0.00 C flip ATOM 141 CE1 HIS A 34 14.483 -9.112 11.740 1.00 0.00 C flip ATOM 142 NE2 HIS A 34 15.105 -9.844 12.666 1.00 0.00 N flip ATOM 0 H HIS A 34 17.600 -10.897 7.816 1.00 0.00 H new ATOM 0 HA HIS A 34 18.027 -11.273 10.717 1.00 0.00 H new ATOM 0 HB2 HIS A 34 15.731 -11.732 8.823 1.00 0.00 H new ATOM 0 HB3 HIS A 34 15.912 -12.851 10.160 1.00 0.00 H new ATOM 0 HD2 HIS A 34 16.348 -11.618 12.655 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.883 -8.228 11.896 1.00 0.00 H new ATOM 0 HE2 HIS A 34 15.081 -9.642 13.666 1.00 0.00 H new ATOM 150 N THR A 35 18.695 -13.284 8.259 1.00 0.00 N ATOM 151 CA THR A 35 19.332 -14.555 7.930 1.00 0.00 C ATOM 152 C THR A 35 20.652 -14.315 7.211 1.00 0.00 C ATOM 153 O THR A 35 20.874 -13.250 6.638 1.00 0.00 O ATOM 154 CB THR A 35 18.410 -15.381 7.034 1.00 0.00 C ATOM 155 OG1 THR A 35 18.265 -14.719 5.794 1.00 0.00 O ATOM 156 CG2 THR A 35 17.038 -15.517 7.687 1.00 0.00 C ATOM 0 H THR A 35 18.565 -12.651 7.470 1.00 0.00 H new ATOM 0 HA THR A 35 19.524 -15.097 8.856 1.00 0.00 H new ATOM 0 HB THR A 35 18.839 -16.372 6.887 1.00 0.00 H new ATOM 0 HG1 THR A 35 17.831 -15.319 5.152 1.00 0.00 H new ATOM 0 HG21 THR A 35 16.386 -16.107 7.043 1.00 0.00 H new ATOM 0 HG22 THR A 35 17.142 -16.014 8.652 1.00 0.00 H new ATOM 0 HG23 THR A 35 16.605 -14.527 7.833 1.00 0.00 H new ATOM 164 N ASP A 36 21.526 -15.310 7.248 1.00 0.00 N ATOM 165 CA ASP A 36 22.831 -15.191 6.602 1.00 0.00 C ATOM 166 C ASP A 36 22.774 -15.703 5.166 1.00 0.00 C ATOM 167 O ASP A 36 22.533 -16.888 4.931 1.00 0.00 O ATOM 168 CB ASP A 36 23.883 -15.977 7.388 1.00 0.00 C ATOM 169 CG ASP A 36 25.275 -15.727 6.810 1.00 0.00 C ATOM 170 OD1 ASP A 36 25.363 -15.104 5.765 1.00 0.00 O ATOM 171 OD2 ASP A 36 26.234 -16.159 7.427 1.00 0.00 O ATOM 0 H ASP A 36 21.361 -16.202 7.713 1.00 0.00 H new ATOM 0 HA ASP A 36 23.107 -14.137 6.586 1.00 0.00 H new ATOM 0 HB2 ASP A 36 23.859 -15.681 8.437 1.00 0.00 H new ATOM 0 HB3 ASP A 36 23.653 -17.042 7.352 1.00 0.00 H new ATOM 176 N PHE A 37 23.012 -14.808 4.213 1.00 0.00 N ATOM 177 CA PHE A 37 22.996 -15.197 2.806 1.00 0.00 C ATOM 178 C PHE A 37 24.374 -15.013 2.200 1.00 0.00 C ATOM 179 O PHE A 37 24.890 -13.896 2.146 1.00 0.00 O ATOM 180 CB PHE A 37 21.963 -14.363 2.036 1.00 0.00 C ATOM 181 CG PHE A 37 21.980 -14.740 0.577 1.00 0.00 C ATOM 182 CD1 PHE A 37 22.077 -16.083 0.201 1.00 0.00 C ATOM 183 CD2 PHE A 37 21.896 -13.739 -0.403 1.00 0.00 C ATOM 184 CE1 PHE A 37 22.093 -16.430 -1.154 1.00 0.00 C ATOM 185 CE2 PHE A 37 21.911 -14.087 -1.758 1.00 0.00 C ATOM 186 CZ PHE A 37 22.010 -15.432 -2.134 1.00 0.00 C ATOM 0 H PHE A 37 23.215 -13.823 4.384 1.00 0.00 H new ATOM 0 HA PHE A 37 22.718 -16.248 2.735 1.00 0.00 H new ATOM 0 HB2 PHE A 37 20.969 -14.527 2.451 1.00 0.00 H new ATOM 0 HB3 PHE A 37 22.184 -13.302 2.148 1.00 0.00 H new ATOM 0 HD1 PHE A 37 22.140 -16.852 0.956 1.00 0.00 H new ATOM 0 HD2 PHE A 37 21.820 -12.702 -0.112 1.00 0.00 H new ATOM 0 HE1 PHE A 37 22.169 -17.467 -1.445 1.00 0.00 H new ATOM 0 HE2 PHE A 37 21.846 -13.318 -2.514 1.00 0.00 H new ATOM 0 HZ PHE A 37 22.022 -15.700 -3.180 1.00 0.00 H new ATOM 196 N THR A 38 24.971 -16.112 1.751 1.00 0.00 N ATOM 197 CA THR A 38 26.298 -16.050 1.154 1.00 0.00 C ATOM 198 C THR A 38 26.267 -16.503 -0.312 1.00 0.00 C ATOM 199 O THR A 38 25.552 -17.444 -0.656 1.00 0.00 O ATOM 200 CB THR A 38 27.272 -16.934 1.934 1.00 0.00 C ATOM 201 OG1 THR A 38 28.554 -16.865 1.322 1.00 0.00 O ATOM 202 CG2 THR A 38 26.772 -18.378 1.932 1.00 0.00 C ATOM 0 H THR A 38 24.562 -17.046 1.789 1.00 0.00 H new ATOM 0 HA THR A 38 26.631 -15.013 1.194 1.00 0.00 H new ATOM 0 HB THR A 38 27.341 -16.586 2.965 1.00 0.00 H new ATOM 0 HG1 THR A 38 29.184 -17.428 1.818 1.00 0.00 H new ATOM 0 HG21 THR A 38 27.469 -19.005 2.489 1.00 0.00 H new ATOM 0 HG22 THR A 38 25.789 -18.423 2.401 1.00 0.00 H new ATOM 0 HG23 THR A 38 26.701 -18.737 0.905 1.00 0.00 H new ATOM 210 N PRO A 39 27.017 -15.857 -1.180 1.00 0.00 N ATOM 211 CA PRO A 39 27.063 -16.215 -2.630 1.00 0.00 C ATOM 212 C PRO A 39 27.814 -17.519 -2.885 1.00 0.00 C ATOM 213 O PRO A 39 28.680 -17.912 -2.101 1.00 0.00 O ATOM 214 CB PRO A 39 27.784 -15.029 -3.263 1.00 0.00 C ATOM 215 CG PRO A 39 28.641 -14.465 -2.184 1.00 0.00 C ATOM 216 CD PRO A 39 27.909 -14.725 -0.873 1.00 0.00 C ATOM 0 HA PRO A 39 26.069 -16.388 -3.043 1.00 0.00 H new ATOM 0 HB2 PRO A 39 28.384 -15.344 -4.117 1.00 0.00 H new ATOM 0 HB3 PRO A 39 27.074 -14.287 -3.629 1.00 0.00 H new ATOM 0 HG2 PRO A 39 29.623 -14.938 -2.181 1.00 0.00 H new ATOM 0 HG3 PRO A 39 28.802 -13.397 -2.334 1.00 0.00 H new ATOM 0 HD2 PRO A 39 28.604 -14.971 -0.070 1.00 0.00 H new ATOM 0 HD3 PRO A 39 27.346 -13.849 -0.550 1.00 0.00 H new ATOM 224 N SER A 40 27.473 -18.190 -3.980 1.00 0.00 N ATOM 225 CA SER A 40 28.122 -19.451 -4.323 1.00 0.00 C ATOM 226 C SER A 40 29.548 -19.190 -4.816 1.00 0.00 C ATOM 227 O SER A 40 29.914 -18.053 -5.103 1.00 0.00 O ATOM 228 CB SER A 40 27.330 -20.176 -5.412 1.00 0.00 C ATOM 229 OG SER A 40 27.784 -19.750 -6.689 1.00 0.00 O ATOM 0 H SER A 40 26.758 -17.886 -4.640 1.00 0.00 H new ATOM 0 HA SER A 40 28.157 -20.077 -3.431 1.00 0.00 H new ATOM 0 HB2 SER A 40 27.454 -21.254 -5.311 1.00 0.00 H new ATOM 0 HB3 SER A 40 26.266 -19.966 -5.304 1.00 0.00 H new ATOM 0 HG SER A 40 27.918 -20.531 -7.266 1.00 0.00 H new ATOM 235 N PRO A 41 30.357 -20.214 -4.901 1.00 0.00 N ATOM 236 CA PRO A 41 31.782 -20.092 -5.358 1.00 0.00 C ATOM 237 C PRO A 41 31.905 -19.432 -6.730 1.00 0.00 C ATOM 238 O PRO A 41 32.783 -18.595 -6.954 1.00 0.00 O ATOM 239 CB PRO A 41 32.261 -21.542 -5.422 1.00 0.00 C ATOM 240 CG PRO A 41 31.366 -22.292 -4.493 1.00 0.00 C ATOM 241 CD PRO A 41 30.009 -21.608 -4.581 1.00 0.00 C ATOM 0 HA PRO A 41 32.367 -19.462 -4.688 1.00 0.00 H new ATOM 0 HB2 PRO A 41 32.193 -21.935 -6.437 1.00 0.00 H new ATOM 0 HB3 PRO A 41 33.304 -21.626 -5.117 1.00 0.00 H new ATOM 0 HG2 PRO A 41 31.294 -23.341 -4.781 1.00 0.00 H new ATOM 0 HG3 PRO A 41 31.751 -22.267 -3.474 1.00 0.00 H new ATOM 0 HD2 PRO A 41 29.382 -22.054 -5.353 1.00 0.00 H new ATOM 0 HD3 PRO A 41 29.459 -21.681 -3.643 1.00 0.00 H new ATOM 249 N TYR A 42 31.023 -19.814 -7.646 1.00 0.00 N ATOM 250 CA TYR A 42 31.042 -19.256 -8.995 1.00 0.00 C ATOM 251 C TYR A 42 30.028 -18.120 -9.129 1.00 0.00 C ATOM 252 O TYR A 42 29.736 -17.668 -10.235 1.00 0.00 O ATOM 253 CB TYR A 42 30.723 -20.349 -10.020 1.00 0.00 C ATOM 254 CG TYR A 42 29.311 -20.842 -9.814 1.00 0.00 C ATOM 255 CD1 TYR A 42 28.251 -20.232 -10.496 1.00 0.00 C ATOM 256 CD2 TYR A 42 29.059 -21.909 -8.942 1.00 0.00 C ATOM 257 CE1 TYR A 42 26.941 -20.686 -10.305 1.00 0.00 C ATOM 258 CE2 TYR A 42 27.748 -22.364 -8.751 1.00 0.00 C ATOM 259 CZ TYR A 42 26.689 -21.751 -9.432 1.00 0.00 C ATOM 260 OH TYR A 42 25.398 -22.199 -9.245 1.00 0.00 O ATOM 0 H TYR A 42 30.289 -20.504 -7.482 1.00 0.00 H new ATOM 0 HA TYR A 42 32.039 -18.859 -9.184 1.00 0.00 H new ATOM 0 HB2 TYR A 42 30.838 -19.958 -11.031 1.00 0.00 H new ATOM 0 HB3 TYR A 42 31.426 -21.175 -9.916 1.00 0.00 H new ATOM 0 HD1 TYR A 42 28.445 -19.411 -11.170 1.00 0.00 H new ATOM 0 HD2 TYR A 42 29.876 -22.381 -8.417 1.00 0.00 H new ATOM 0 HE1 TYR A 42 26.124 -20.215 -10.831 1.00 0.00 H new ATOM 0 HE2 TYR A 42 27.554 -23.187 -8.079 1.00 0.00 H new ATOM 0 HH TYR A 42 25.399 -22.944 -8.609 1.00 0.00 H new ATOM 270 N ASP A 43 29.484 -17.666 -8.002 1.00 0.00 N ATOM 271 CA ASP A 43 28.503 -16.591 -8.018 1.00 0.00 C ATOM 272 C ASP A 43 29.077 -15.335 -7.376 1.00 0.00 C ATOM 273 O ASP A 43 29.311 -15.296 -6.170 1.00 0.00 O ATOM 274 CB ASP A 43 27.254 -17.030 -7.260 1.00 0.00 C ATOM 275 CG ASP A 43 26.193 -15.938 -7.306 1.00 0.00 C ATOM 276 OD1 ASP A 43 26.436 -14.925 -7.940 1.00 0.00 O ATOM 277 OD2 ASP A 43 25.154 -16.131 -6.699 1.00 0.00 O ATOM 0 H ASP A 43 29.706 -18.025 -7.073 1.00 0.00 H new ATOM 0 HA ASP A 43 28.244 -16.367 -9.053 1.00 0.00 H new ATOM 0 HB2 ASP A 43 26.860 -17.948 -7.697 1.00 0.00 H new ATOM 0 HB3 ASP A 43 27.509 -17.254 -6.224 1.00 0.00 H new ATOM 282 N THR A 44 29.291 -14.307 -8.184 1.00 0.00 N ATOM 283 CA THR A 44 29.822 -13.050 -7.675 1.00 0.00 C ATOM 284 C THR A 44 28.759 -11.959 -7.734 1.00 0.00 C ATOM 285 O THR A 44 28.810 -10.985 -6.981 1.00 0.00 O ATOM 286 CB THR A 44 31.039 -12.630 -8.499 1.00 0.00 C ATOM 287 OG1 THR A 44 30.681 -12.561 -9.873 1.00 0.00 O ATOM 288 CG2 THR A 44 32.152 -13.654 -8.307 1.00 0.00 C ATOM 0 H THR A 44 29.107 -14.317 -9.187 1.00 0.00 H new ATOM 0 HA THR A 44 30.120 -13.193 -6.636 1.00 0.00 H new ATOM 0 HB THR A 44 31.386 -11.650 -8.170 1.00 0.00 H new ATOM 0 HG1 THR A 44 31.461 -12.290 -10.401 1.00 0.00 H new ATOM 0 HG21 THR A 44 33.023 -13.359 -8.893 1.00 0.00 H new ATOM 0 HG22 THR A 44 32.424 -13.703 -7.253 1.00 0.00 H new ATOM 0 HG23 THR A 44 31.807 -14.633 -8.638 1.00 0.00 H new ATOM 296 N ASP A 45 27.793 -12.135 -8.629 1.00 0.00 N ATOM 297 CA ASP A 45 26.714 -11.165 -8.775 1.00 0.00 C ATOM 298 C ASP A 45 25.886 -11.086 -7.496 1.00 0.00 C ATOM 299 O ASP A 45 25.451 -10.007 -7.092 1.00 0.00 O ATOM 300 CB ASP A 45 25.811 -11.545 -9.950 1.00 0.00 C ATOM 301 CG ASP A 45 26.540 -11.300 -11.268 1.00 0.00 C ATOM 302 OD1 ASP A 45 27.588 -10.677 -11.235 1.00 0.00 O ATOM 303 OD2 ASP A 45 26.036 -11.734 -12.291 1.00 0.00 O ATOM 0 H ASP A 45 27.735 -12.934 -9.260 1.00 0.00 H new ATOM 0 HA ASP A 45 27.159 -10.189 -8.968 1.00 0.00 H new ATOM 0 HB2 ASP A 45 25.523 -12.593 -9.874 1.00 0.00 H new ATOM 0 HB3 ASP A 45 24.893 -10.959 -9.918 1.00 0.00 H new ATOM 308 N SER A 46 25.671 -12.236 -6.867 1.00 0.00 N ATOM 309 CA SER A 46 24.894 -12.294 -5.633 1.00 0.00 C ATOM 310 C SER A 46 25.559 -11.476 -4.533 1.00 0.00 C ATOM 311 O SER A 46 26.785 -11.469 -4.404 1.00 0.00 O ATOM 312 CB SER A 46 24.746 -13.746 -5.178 1.00 0.00 C ATOM 313 OG SER A 46 24.170 -13.776 -3.880 1.00 0.00 O ATOM 0 H SER A 46 26.022 -13.138 -7.189 1.00 0.00 H new ATOM 0 HA SER A 46 23.908 -11.872 -5.830 1.00 0.00 H new ATOM 0 HB2 SER A 46 24.119 -14.297 -5.879 1.00 0.00 H new ATOM 0 HB3 SER A 46 25.719 -14.237 -5.168 1.00 0.00 H new ATOM 0 HG SER A 46 23.507 -14.496 -3.833 1.00 0.00 H new ATOM 319 N LEU A 47 24.745 -10.779 -3.747 1.00 0.00 N ATOM 320 CA LEU A 47 25.262 -9.955 -2.666 1.00 0.00 C ATOM 321 C LEU A 47 25.377 -10.764 -1.377 1.00 0.00 C ATOM 322 O LEU A 47 24.531 -11.610 -1.088 1.00 0.00 O ATOM 323 CB LEU A 47 24.340 -8.758 -2.438 1.00 0.00 C ATOM 324 CG LEU A 47 25.024 -7.749 -1.514 1.00 0.00 C ATOM 325 CD1 LEU A 47 26.164 -7.051 -2.257 1.00 0.00 C ATOM 326 CD2 LEU A 47 24.001 -6.711 -1.060 1.00 0.00 C ATOM 0 H LEU A 47 23.729 -10.770 -3.839 1.00 0.00 H new ATOM 0 HA LEU A 47 26.255 -9.603 -2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 47 24.097 -8.287 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.400 -9.090 -1.998 1.00 0.00 H new ATOM 0 HG LEU A 47 25.431 -8.270 -0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.646 -6.334 -1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 47 26.894 -7.792 -2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 47 25.765 -6.529 -3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 47 24.483 -5.989 -0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 47 23.596 -6.194 -1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 47 23.192 -7.208 -0.524 1.00 0.00 H new ATOM 338 N LYS A 48 26.417 -10.487 -0.596 1.00 0.00 N ATOM 339 CA LYS A 48 26.617 -11.184 0.670 1.00 0.00 C ATOM 340 C LYS A 48 26.070 -10.353 1.829 1.00 0.00 C ATOM 341 O LYS A 48 26.259 -9.139 1.875 1.00 0.00 O ATOM 342 CB LYS A 48 28.108 -11.455 0.882 1.00 0.00 C ATOM 343 CG LYS A 48 28.864 -10.128 1.007 1.00 0.00 C ATOM 344 CD LYS A 48 30.354 -10.407 1.194 1.00 0.00 C ATOM 345 CE LYS A 48 31.107 -9.082 1.311 1.00 0.00 C ATOM 346 NZ LYS A 48 32.558 -9.350 1.508 1.00 0.00 N ATOM 0 H LYS A 48 27.129 -9.790 -0.815 1.00 0.00 H new ATOM 0 HA LYS A 48 26.079 -12.132 0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 48 28.254 -12.053 1.781 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.504 -12.033 0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.706 -9.522 0.115 1.00 0.00 H new ATOM 0 HG3 LYS A 48 28.481 -9.557 1.853 1.00 0.00 H new ATOM 0 HD2 LYS A 48 30.513 -11.009 2.089 1.00 0.00 H new ATOM 0 HD3 LYS A 48 30.736 -10.982 0.351 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.956 -8.485 0.412 1.00 0.00 H new ATOM 0 HE3 LYS A 48 30.717 -8.503 2.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 33.070 -8.448 1.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 32.694 -9.903 2.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 32.925 -9.886 0.696 1.00 0.00 H new ATOM 360 N ILE A 49 25.386 -11.009 2.765 1.00 0.00 N ATOM 361 CA ILE A 49 24.825 -10.301 3.911 1.00 0.00 C ATOM 362 C ILE A 49 24.949 -11.157 5.172 1.00 0.00 C ATOM 363 O ILE A 49 24.839 -12.385 5.112 1.00 0.00 O ATOM 364 CB ILE A 49 23.352 -9.978 3.649 1.00 0.00 C ATOM 365 CG1 ILE A 49 22.514 -11.229 3.917 1.00 0.00 C ATOM 366 CG2 ILE A 49 23.167 -9.538 2.191 1.00 0.00 C ATOM 367 CD1 ILE A 49 21.096 -11.037 3.365 1.00 0.00 C ATOM 0 H ILE A 49 25.209 -12.014 2.753 1.00 0.00 H new ATOM 0 HA ILE A 49 25.378 -9.373 4.058 1.00 0.00 H new ATOM 0 HB ILE A 49 23.032 -9.170 4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 49 22.981 -12.096 3.450 1.00 0.00 H new ATOM 0 HG13 ILE A 49 22.473 -11.427 4.988 1.00 0.00 H new ATOM 0 HG21 ILE A 49 22.117 -9.309 2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 49 23.770 -8.650 2.000 1.00 0.00 H new ATOM 0 HG23 ILE A 49 23.483 -10.341 1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 49 20.505 -11.932 3.560 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.629 -10.181 3.852 1.00 0.00 H new ATOM 0 HD13 ILE A 49 21.145 -10.861 2.290 1.00 0.00 H new ATOM 379 N LYS A 50 25.165 -10.503 6.312 1.00 0.00 N ATOM 380 CA LYS A 50 25.294 -11.224 7.576 1.00 0.00 C ATOM 381 C LYS A 50 24.185 -10.814 8.535 1.00 0.00 C ATOM 382 O LYS A 50 23.672 -9.699 8.460 1.00 0.00 O ATOM 383 CB LYS A 50 26.647 -10.915 8.218 1.00 0.00 C ATOM 384 CG LYS A 50 27.693 -10.733 7.121 1.00 0.00 C ATOM 385 CD LYS A 50 29.086 -11.048 7.679 1.00 0.00 C ATOM 386 CE LYS A 50 30.143 -10.811 6.596 1.00 0.00 C ATOM 387 NZ LYS A 50 29.927 -11.766 5.471 1.00 0.00 N ATOM 0 H LYS A 50 25.253 -9.490 6.387 1.00 0.00 H new ATOM 0 HA LYS A 50 25.219 -12.292 7.372 1.00 0.00 H new ATOM 0 HB2 LYS A 50 26.578 -10.012 8.824 1.00 0.00 H new ATOM 0 HB3 LYS A 50 26.940 -11.725 8.886 1.00 0.00 H new ATOM 0 HG2 LYS A 50 27.470 -11.390 6.280 1.00 0.00 H new ATOM 0 HG3 LYS A 50 27.664 -9.711 6.744 1.00 0.00 H new ATOM 0 HD2 LYS A 50 29.292 -10.419 8.545 1.00 0.00 H new ATOM 0 HD3 LYS A 50 29.126 -12.083 8.020 1.00 0.00 H new ATOM 0 HE2 LYS A 50 30.083 -9.785 6.233 1.00 0.00 H new ATOM 0 HE3 LYS A 50 31.142 -10.943 7.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 30.785 -11.811 4.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 29.719 -12.711 5.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 29.127 -11.443 4.890 1.00 0.00 H new ATOM 401 N LYS A 51 23.817 -11.715 9.434 1.00 0.00 N ATOM 402 CA LYS A 51 22.766 -11.419 10.399 1.00 0.00 C ATOM 403 C LYS A 51 23.171 -10.237 11.277 1.00 0.00 C ATOM 404 O LYS A 51 24.267 -10.209 11.834 1.00 0.00 O ATOM 405 CB LYS A 51 22.505 -12.644 11.271 1.00 0.00 C ATOM 406 CG LYS A 51 21.306 -12.380 12.184 1.00 0.00 C ATOM 407 CD LYS A 51 20.939 -13.666 12.930 1.00 0.00 C ATOM 408 CE LYS A 51 22.034 -14.004 13.943 1.00 0.00 C ATOM 409 NZ LYS A 51 21.638 -15.214 14.717 1.00 0.00 N ATOM 0 H LYS A 51 24.224 -12.647 9.516 1.00 0.00 H new ATOM 0 HA LYS A 51 21.856 -11.160 9.858 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.312 -13.515 10.644 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.387 -12.871 11.869 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.544 -11.590 12.896 1.00 0.00 H new ATOM 0 HG3 LYS A 51 20.457 -12.033 11.595 1.00 0.00 H new ATOM 0 HD2 LYS A 51 19.984 -13.542 13.440 1.00 0.00 H new ATOM 0 HD3 LYS A 51 20.818 -14.487 12.223 1.00 0.00 H new ATOM 0 HE2 LYS A 51 22.978 -14.181 13.428 1.00 0.00 H new ATOM 0 HE3 LYS A 51 22.192 -13.163 14.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 22.382 -15.444 15.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 20.747 -15.028 15.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 21.508 -16.015 14.067 1.00 0.00 H new ATOM 423 N GLY A 52 22.273 -9.265 11.392 1.00 0.00 N ATOM 424 CA GLY A 52 22.532 -8.080 12.200 1.00 0.00 C ATOM 425 C GLY A 52 22.954 -6.901 11.324 1.00 0.00 C ATOM 426 O GLY A 52 22.811 -5.745 11.723 1.00 0.00 O ATOM 0 H GLY A 52 21.360 -9.274 10.936 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.637 -7.817 12.763 1.00 0.00 H new ATOM 0 HA3 GLY A 52 23.315 -8.295 12.928 1.00 0.00 H new ATOM 430 N ASP A 53 23.457 -7.193 10.125 1.00 0.00 N ATOM 431 CA ASP A 53 23.872 -6.137 9.209 1.00 0.00 C ATOM 432 C ASP A 53 22.656 -5.409 8.642 1.00 0.00 C ATOM 433 O ASP A 53 21.560 -5.967 8.577 1.00 0.00 O ATOM 434 CB ASP A 53 24.694 -6.731 8.066 1.00 0.00 C ATOM 435 CG ASP A 53 26.063 -7.159 8.581 1.00 0.00 C ATOM 436 OD1 ASP A 53 26.407 -6.772 9.686 1.00 0.00 O ATOM 437 OD2 ASP A 53 26.750 -7.867 7.864 1.00 0.00 O ATOM 0 H ASP A 53 23.585 -8.141 9.770 1.00 0.00 H new ATOM 0 HA ASP A 53 24.482 -5.422 9.761 1.00 0.00 H new ATOM 0 HB2 ASP A 53 24.173 -7.587 7.638 1.00 0.00 H new ATOM 0 HB3 ASP A 53 24.809 -5.997 7.269 1.00 0.00 H new ATOM 442 N ILE A 54 22.860 -4.161 8.235 1.00 0.00 N ATOM 443 CA ILE A 54 21.780 -3.362 7.668 1.00 0.00 C ATOM 444 C ILE A 54 22.119 -2.951 6.237 1.00 0.00 C ATOM 445 O ILE A 54 23.232 -2.506 5.953 1.00 0.00 O ATOM 446 CB ILE A 54 21.523 -2.116 8.521 1.00 0.00 C ATOM 447 CG1 ILE A 54 21.151 -2.543 9.945 1.00 0.00 C ATOM 448 CG2 ILE A 54 20.370 -1.307 7.916 1.00 0.00 C ATOM 449 CD1 ILE A 54 21.001 -1.306 10.836 1.00 0.00 C ATOM 0 H ILE A 54 23.759 -3.682 8.287 1.00 0.00 H new ATOM 0 HA ILE A 54 20.876 -3.970 7.658 1.00 0.00 H new ATOM 0 HB ILE A 54 22.423 -1.502 8.545 1.00 0.00 H new ATOM 0 HG12 ILE A 54 20.219 -3.109 9.933 1.00 0.00 H new ATOM 0 HG13 ILE A 54 21.919 -3.202 10.349 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.189 -0.421 8.524 1.00 0.00 H new ATOM 0 HG22 ILE A 54 20.631 -1.004 6.902 1.00 0.00 H new ATOM 0 HG23 ILE A 54 19.469 -1.920 7.891 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.736 -1.616 11.847 1.00 0.00 H new ATOM 0 HD12 ILE A 54 21.943 -0.758 10.859 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.217 -0.663 10.437 1.00 0.00 H new ATOM 461 N ILE A 55 21.151 -3.115 5.341 1.00 0.00 N ATOM 462 CA ILE A 55 21.349 -2.769 3.936 1.00 0.00 C ATOM 463 C ILE A 55 20.392 -1.660 3.508 1.00 0.00 C ATOM 464 O ILE A 55 19.191 -1.729 3.772 1.00 0.00 O ATOM 465 CB ILE A 55 21.130 -3.995 3.053 1.00 0.00 C ATOM 466 CG1 ILE A 55 22.121 -5.080 3.467 1.00 0.00 C ATOM 467 CG2 ILE A 55 21.380 -3.609 1.592 1.00 0.00 C ATOM 468 CD1 ILE A 55 21.787 -6.391 2.755 1.00 0.00 C ATOM 0 H ILE A 55 20.225 -3.483 5.560 1.00 0.00 H new ATOM 0 HA ILE A 55 22.373 -2.415 3.819 1.00 0.00 H new ATOM 0 HB ILE A 55 20.110 -4.363 3.164 1.00 0.00 H new ATOM 0 HG12 ILE A 55 23.136 -4.770 3.220 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.086 -5.224 4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 55 21.226 -4.479 0.954 1.00 0.00 H new ATOM 0 HG22 ILE A 55 20.688 -2.819 1.301 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.404 -3.254 1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 55 22.499 -7.160 3.056 1.00 0.00 H new ATOM 0 HD12 ILE A 55 20.778 -6.705 3.024 1.00 0.00 H new ATOM 0 HD13 ILE A 55 21.845 -6.244 1.676 1.00 0.00 H new ATOM 480 N ASP A 56 20.930 -0.643 2.840 1.00 0.00 N ATOM 481 CA ASP A 56 20.111 0.468 2.371 1.00 0.00 C ATOM 482 C ASP A 56 19.305 0.039 1.150 1.00 0.00 C ATOM 483 O ASP A 56 19.879 -0.409 0.154 1.00 0.00 O ATOM 484 CB ASP A 56 20.998 1.660 2.000 1.00 0.00 C ATOM 485 CG ASP A 56 20.134 2.856 1.609 1.00 0.00 C ATOM 486 OD1 ASP A 56 18.923 2.711 1.600 1.00 0.00 O ATOM 487 OD2 ASP A 56 20.697 3.899 1.319 1.00 0.00 O ATOM 0 H ASP A 56 21.922 -0.566 2.613 1.00 0.00 H new ATOM 0 HA ASP A 56 19.432 0.762 3.171 1.00 0.00 H new ATOM 0 HB2 ASP A 56 21.637 1.923 2.843 1.00 0.00 H new ATOM 0 HB3 ASP A 56 21.655 1.391 1.173 1.00 0.00 H new ATOM 492 N ILE A 57 17.979 0.174 1.248 1.00 0.00 N ATOM 493 CA ILE A 57 17.084 -0.205 0.156 1.00 0.00 C ATOM 494 C ILE A 57 17.249 0.748 -1.019 1.00 0.00 C ATOM 495 O ILE A 57 17.197 1.967 -0.857 1.00 0.00 O ATOM 496 CB ILE A 57 15.629 -0.170 0.634 1.00 0.00 C ATOM 497 CG1 ILE A 57 15.434 -1.181 1.767 1.00 0.00 C ATOM 498 CG2 ILE A 57 14.703 -0.529 -0.530 1.00 0.00 C ATOM 499 CD1 ILE A 57 14.060 -0.971 2.411 1.00 0.00 C ATOM 0 H ILE A 57 17.504 0.543 2.072 1.00 0.00 H new ATOM 0 HA ILE A 57 17.339 -1.216 -0.163 1.00 0.00 H new ATOM 0 HB ILE A 57 15.392 0.830 0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 57 15.514 -2.197 1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 57 16.219 -1.062 2.514 1.00 0.00 H new ATOM 0 HG21 ILE A 57 13.667 -0.505 -0.192 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.838 0.190 -1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.943 -1.529 -0.891 1.00 0.00 H new ATOM 0 HD11 ILE A 57 13.922 -1.691 3.217 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.997 0.040 2.813 1.00 0.00 H new ATOM 0 HD13 ILE A 57 13.281 -1.112 1.661 1.00 0.00 H new ATOM 511 N ILE A 58 17.445 0.180 -2.203 1.00 0.00 N ATOM 512 CA ILE A 58 17.616 0.977 -3.408 1.00 0.00 C ATOM 513 C ILE A 58 16.400 0.845 -4.317 1.00 0.00 C ATOM 514 O ILE A 58 15.797 1.843 -4.710 1.00 0.00 O ATOM 515 CB ILE A 58 18.862 0.517 -4.166 1.00 0.00 C ATOM 516 CG1 ILE A 58 20.111 0.884 -3.363 1.00 0.00 C ATOM 517 CG2 ILE A 58 18.913 1.204 -5.533 1.00 0.00 C ATOM 518 CD1 ILE A 58 21.332 0.187 -3.968 1.00 0.00 C ATOM 0 H ILE A 58 17.489 -0.828 -2.353 1.00 0.00 H new ATOM 0 HA ILE A 58 17.728 2.020 -3.114 1.00 0.00 H new ATOM 0 HB ILE A 58 18.824 -0.563 -4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 58 20.256 1.964 -3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 58 19.987 0.585 -2.322 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.801 0.875 -6.072 1.00 0.00 H new ATOM 0 HG22 ILE A 58 18.023 0.942 -6.105 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.951 2.285 -5.396 1.00 0.00 H new ATOM 0 HD11 ILE A 58 22.222 0.449 -3.395 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.186 -0.893 -3.938 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.459 0.508 -5.002 1.00 0.00 H new ATOM 530 N CYS A 59 16.052 -0.394 -4.652 1.00 0.00 N ATOM 531 CA CYS A 59 14.906 -0.639 -5.527 1.00 0.00 C ATOM 532 C CYS A 59 14.460 -2.098 -5.457 1.00 0.00 C ATOM 533 O CYS A 59 15.274 -2.999 -5.264 1.00 0.00 O ATOM 534 CB CYS A 59 15.258 -0.274 -6.971 1.00 0.00 C ATOM 535 SG CYS A 59 13.799 -0.496 -8.021 1.00 0.00 S ATOM 0 H CYS A 59 16.538 -1.234 -4.337 1.00 0.00 H new ATOM 0 HA CYS A 59 14.082 -0.012 -5.185 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.603 0.759 -7.023 1.00 0.00 H new ATOM 0 HB3 CYS A 59 16.075 -0.901 -7.327 1.00 0.00 H new ATOM 0 HG CYS A 59 14.096 -0.184 -9.248 1.00 0.00 H new ATOM 541 N LYS A 60 13.161 -2.327 -5.615 1.00 0.00 N ATOM 542 CA LYS A 60 12.635 -3.685 -5.566 1.00 0.00 C ATOM 543 C LYS A 60 12.566 -4.286 -6.961 1.00 0.00 C ATOM 544 O LYS A 60 12.323 -3.578 -7.938 1.00 0.00 O ATOM 545 CB LYS A 60 11.242 -3.690 -4.945 1.00 0.00 C ATOM 546 CG LYS A 60 11.345 -3.260 -3.484 1.00 0.00 C ATOM 547 CD LYS A 60 9.961 -3.319 -2.840 1.00 0.00 C ATOM 548 CE LYS A 60 10.066 -2.957 -1.356 1.00 0.00 C ATOM 549 NZ LYS A 60 10.428 -1.516 -1.203 1.00 0.00 N ATOM 0 H LYS A 60 12.462 -1.602 -5.776 1.00 0.00 H new ATOM 0 HA LYS A 60 13.308 -4.285 -4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.585 -3.013 -5.491 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.803 -4.685 -5.014 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.035 -3.912 -2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.746 -2.249 -3.418 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.285 -2.630 -3.345 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.540 -4.318 -2.952 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.118 -3.157 -0.857 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.818 -3.582 -0.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.283 -1.225 -0.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.426 -1.379 -1.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.827 -0.939 -1.826 1.00 0.00 H new ATOM 563 N THR A 61 12.787 -5.592 -7.057 1.00 0.00 N ATOM 564 CA THR A 61 12.748 -6.252 -8.357 1.00 0.00 C ATOM 565 C THR A 61 11.438 -7.025 -8.527 1.00 0.00 C ATOM 566 O THR A 61 10.830 -7.442 -7.542 1.00 0.00 O ATOM 567 CB THR A 61 13.931 -7.215 -8.489 1.00 0.00 C ATOM 568 OG1 THR A 61 13.776 -8.284 -7.568 1.00 0.00 O ATOM 569 CG2 THR A 61 15.234 -6.473 -8.198 1.00 0.00 C ATOM 0 H THR A 61 12.991 -6.205 -6.268 1.00 0.00 H new ATOM 0 HA THR A 61 12.811 -5.490 -9.133 1.00 0.00 H new ATOM 0 HB THR A 61 13.963 -7.612 -9.504 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.996 -7.973 -6.665 1.00 0.00 H new ATOM 0 HG21 THR A 61 16.074 -7.161 -8.293 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.353 -5.655 -8.908 1.00 0.00 H new ATOM 0 HG23 THR A 61 15.206 -6.072 -7.185 1.00 0.00 H new ATOM 577 N PRO A 62 11.001 -7.239 -9.748 1.00 0.00 N ATOM 578 CA PRO A 62 9.741 -7.995 -10.034 1.00 0.00 C ATOM 579 C PRO A 62 9.811 -9.441 -9.540 1.00 0.00 C ATOM 580 O PRO A 62 8.785 -10.057 -9.247 1.00 0.00 O ATOM 581 CB PRO A 62 9.624 -7.943 -11.565 1.00 0.00 C ATOM 582 CG PRO A 62 10.999 -7.644 -12.058 1.00 0.00 C ATOM 583 CD PRO A 62 11.646 -6.780 -10.989 1.00 0.00 C ATOM 0 HA PRO A 62 8.881 -7.564 -9.522 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.261 -8.890 -11.964 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.918 -7.174 -11.879 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.566 -8.562 -12.214 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.966 -7.123 -13.015 1.00 0.00 H new ATOM 0 HD2 PRO A 62 12.726 -6.921 -10.957 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.468 -5.719 -11.167 1.00 0.00 H new ATOM 591 N MET A 63 11.026 -9.970 -9.445 1.00 0.00 N ATOM 592 CA MET A 63 11.223 -11.338 -8.980 1.00 0.00 C ATOM 593 C MET A 63 10.910 -11.447 -7.489 1.00 0.00 C ATOM 594 O MET A 63 10.621 -12.533 -6.983 1.00 0.00 O ATOM 595 CB MET A 63 12.666 -11.775 -9.239 1.00 0.00 C ATOM 596 CG MET A 63 12.926 -11.818 -10.748 1.00 0.00 C ATOM 597 SD MET A 63 11.926 -13.124 -11.507 1.00 0.00 S ATOM 598 CE MET A 63 12.894 -14.529 -10.906 1.00 0.00 C ATOM 0 H MET A 63 11.886 -9.475 -9.683 1.00 0.00 H new ATOM 0 HA MET A 63 10.545 -11.991 -9.529 1.00 0.00 H new ATOM 0 HB2 MET A 63 13.358 -11.082 -8.760 1.00 0.00 H new ATOM 0 HB3 MET A 63 12.844 -12.757 -8.801 1.00 0.00 H new ATOM 0 HG2 MET A 63 12.682 -10.854 -11.196 1.00 0.00 H new ATOM 0 HG3 MET A 63 13.984 -12.000 -10.939 1.00 0.00 H new ATOM 0 HE1 MET A 63 13.110 -15.203 -11.735 1.00 0.00 H new ATOM 0 HE2 MET A 63 13.830 -14.170 -10.478 1.00 0.00 H new ATOM 0 HE3 MET A 63 12.327 -15.062 -10.143 1.00 0.00 H new ATOM 608 N GLY A 64 10.974 -10.316 -6.791 1.00 0.00 N ATOM 609 CA GLY A 64 10.700 -10.286 -5.361 1.00 0.00 C ATOM 610 C GLY A 64 11.953 -9.920 -4.578 1.00 0.00 C ATOM 611 O GLY A 64 11.868 -9.369 -3.483 1.00 0.00 O ATOM 0 H GLY A 64 11.213 -9.410 -7.194 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.911 -9.563 -5.152 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.334 -11.260 -5.036 1.00 0.00 H new ATOM 615 N MET A 65 13.114 -10.214 -5.152 1.00 0.00 N ATOM 616 CA MET A 65 14.380 -9.903 -4.496 1.00 0.00 C ATOM 617 C MET A 65 14.560 -8.394 -4.355 1.00 0.00 C ATOM 618 O MET A 65 14.103 -7.620 -5.196 1.00 0.00 O ATOM 619 CB MET A 65 15.542 -10.484 -5.297 1.00 0.00 C ATOM 620 CG MET A 65 15.503 -12.012 -5.235 1.00 0.00 C ATOM 621 SD MET A 65 16.844 -12.697 -6.241 1.00 0.00 S ATOM 622 CE MET A 65 18.212 -12.283 -5.128 1.00 0.00 C ATOM 0 H MET A 65 13.206 -10.664 -6.063 1.00 0.00 H new ATOM 0 HA MET A 65 14.367 -10.348 -3.501 1.00 0.00 H new ATOM 0 HB2 MET A 65 15.483 -10.152 -6.333 1.00 0.00 H new ATOM 0 HB3 MET A 65 16.489 -10.119 -4.898 1.00 0.00 H new ATOM 0 HG2 MET A 65 15.603 -12.346 -4.202 1.00 0.00 H new ATOM 0 HG3 MET A 65 14.541 -12.376 -5.597 1.00 0.00 H new ATOM 0 HE1 MET A 65 19.013 -11.809 -5.696 1.00 0.00 H new ATOM 0 HE2 MET A 65 17.859 -11.598 -4.357 1.00 0.00 H new ATOM 0 HE3 MET A 65 18.588 -13.193 -4.660 1.00 0.00 H new ATOM 632 N TRP A 66 15.218 -7.982 -3.277 1.00 0.00 N ATOM 633 CA TRP A 66 15.440 -6.561 -3.023 1.00 0.00 C ATOM 634 C TRP A 66 16.866 -6.151 -3.375 1.00 0.00 C ATOM 635 O TRP A 66 17.811 -6.927 -3.220 1.00 0.00 O ATOM 636 CB TRP A 66 15.160 -6.240 -1.552 1.00 0.00 C ATOM 637 CG TRP A 66 13.683 -6.268 -1.288 1.00 0.00 C ATOM 638 CD1 TRP A 66 12.735 -6.662 -2.168 1.00 0.00 C ATOM 639 CD2 TRP A 66 12.976 -5.888 -0.069 1.00 0.00 C ATOM 640 NE1 TRP A 66 11.492 -6.539 -1.574 1.00 0.00 N ATOM 641 CE2 TRP A 66 11.588 -6.067 -0.277 1.00 0.00 C ATOM 642 CE3 TRP A 66 13.405 -5.406 1.180 1.00 0.00 C ATOM 643 CZ2 TRP A 66 10.657 -5.778 0.726 1.00 0.00 C ATOM 644 CZ3 TRP A 66 12.472 -5.118 2.189 1.00 0.00 C ATOM 645 CH2 TRP A 66 11.101 -5.302 1.962 1.00 0.00 C ATOM 0 H TRP A 66 15.605 -8.606 -2.569 1.00 0.00 H new ATOM 0 HA TRP A 66 14.756 -5.997 -3.657 1.00 0.00 H new ATOM 0 HB2 TRP A 66 15.665 -6.963 -0.912 1.00 0.00 H new ATOM 0 HB3 TRP A 66 15.563 -5.258 -1.303 1.00 0.00 H new ATOM 0 HD1 TRP A 66 12.919 -7.015 -3.172 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.612 -6.768 -2.036 1.00 0.00 H new ATOM 0 HE3 TRP A 66 14.459 -5.256 1.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 9.602 -5.922 0.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 12.813 -4.752 3.146 1.00 0.00 H new ATOM 0 HH2 TRP A 66 10.389 -5.076 2.742 1.00 0.00 H new ATOM 656 N THR A 67 17.008 -4.920 -3.856 1.00 0.00 N ATOM 657 CA THR A 67 18.311 -4.392 -4.227 1.00 0.00 C ATOM 658 C THR A 67 18.738 -3.336 -3.222 1.00 0.00 C ATOM 659 O THR A 67 17.940 -2.475 -2.845 1.00 0.00 O ATOM 660 CB THR A 67 18.269 -3.783 -5.633 1.00 0.00 C ATOM 661 OG1 THR A 67 17.917 -4.787 -6.576 1.00 0.00 O ATOM 662 CG2 THR A 67 19.644 -3.207 -5.978 1.00 0.00 C ATOM 0 H THR A 67 16.234 -4.271 -3.997 1.00 0.00 H new ATOM 0 HA THR A 67 19.031 -5.210 -4.226 1.00 0.00 H new ATOM 0 HB THR A 67 17.526 -2.986 -5.664 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.359 -5.629 -6.338 1.00 0.00 H new ATOM 0 HG21 THR A 67 19.616 -2.773 -6.978 1.00 0.00 H new ATOM 0 HG22 THR A 67 19.907 -2.435 -5.255 1.00 0.00 H new ATOM 0 HG23 THR A 67 20.389 -4.002 -5.948 1.00 0.00 H new ATOM 670 N GLY A 68 19.998 -3.405 -2.801 1.00 0.00 N ATOM 671 CA GLY A 68 20.527 -2.452 -1.835 1.00 0.00 C ATOM 672 C GLY A 68 22.036 -2.301 -1.984 1.00 0.00 C ATOM 673 O GLY A 68 22.648 -2.889 -2.878 1.00 0.00 O ATOM 0 H GLY A 68 20.668 -4.108 -3.113 1.00 0.00 H new ATOM 0 HA2 GLY A 68 20.046 -1.484 -1.974 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.290 -2.784 -0.824 1.00 0.00 H new ATOM 677 N MET A 69 22.626 -1.499 -1.104 1.00 0.00 N ATOM 678 CA MET A 69 24.071 -1.261 -1.139 1.00 0.00 C ATOM 679 C MET A 69 24.740 -1.731 0.149 1.00 0.00 C ATOM 680 O MET A 69 24.205 -1.549 1.243 1.00 0.00 O ATOM 681 CB MET A 69 24.364 0.230 -1.343 1.00 0.00 C ATOM 682 CG MET A 69 25.878 0.460 -1.351 1.00 0.00 C ATOM 683 SD MET A 69 26.216 2.204 -1.689 1.00 0.00 S ATOM 684 CE MET A 69 25.638 2.859 -0.103 1.00 0.00 C ATOM 0 H MET A 69 22.133 -1.004 -0.361 1.00 0.00 H new ATOM 0 HA MET A 69 24.477 -1.832 -1.975 1.00 0.00 H new ATOM 0 HB2 MET A 69 23.929 0.571 -2.283 1.00 0.00 H new ATOM 0 HB3 MET A 69 23.902 0.814 -0.547 1.00 0.00 H new ATOM 0 HG2 MET A 69 26.306 0.174 -0.390 1.00 0.00 H new ATOM 0 HG3 MET A 69 26.349 -0.167 -2.108 1.00 0.00 H new ATOM 0 HE1 MET A 69 26.134 3.808 0.101 1.00 0.00 H new ATOM 0 HE2 MET A 69 24.560 3.015 -0.145 1.00 0.00 H new ATOM 0 HE3 MET A 69 25.871 2.149 0.691 1.00 0.00 H new ATOM 694 N LEU A 70 25.918 -2.331 0.009 1.00 0.00 N ATOM 695 CA LEU A 70 26.662 -2.819 1.163 1.00 0.00 C ATOM 696 C LEU A 70 28.163 -2.628 0.952 1.00 0.00 C ATOM 697 O LEU A 70 28.762 -3.255 0.081 1.00 0.00 O ATOM 698 CB LEU A 70 26.349 -4.301 1.391 1.00 0.00 C ATOM 699 CG LEU A 70 25.990 -4.525 2.862 1.00 0.00 C ATOM 700 CD1 LEU A 70 25.426 -5.938 3.041 1.00 0.00 C ATOM 701 CD2 LEU A 70 27.236 -4.366 3.739 1.00 0.00 C ATOM 0 H LEU A 70 26.376 -2.490 -0.889 1.00 0.00 H new ATOM 0 HA LEU A 70 26.361 -2.248 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 70 25.522 -4.612 0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 70 27.210 -4.912 1.118 1.00 0.00 H new ATOM 0 HG LEU A 70 25.245 -3.788 3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 70 25.170 -6.098 4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.532 -6.053 2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 70 26.173 -6.670 2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 70 26.969 -4.527 4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 70 27.987 -5.097 3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 70 27.640 -3.361 3.619 1.00 0.00 H new ATOM 713 N ASN A 71 28.766 -1.765 1.760 1.00 0.00 N ATOM 714 CA ASN A 71 30.198 -1.507 1.650 1.00 0.00 C ATOM 715 C ASN A 71 30.531 -1.039 0.237 1.00 0.00 C ATOM 716 O ASN A 71 31.379 -1.628 -0.431 1.00 0.00 O ATOM 717 CB ASN A 71 30.986 -2.789 1.939 1.00 0.00 C ATOM 718 CG ASN A 71 30.483 -3.426 3.223 1.00 0.00 C ATOM 719 OD1 ASN A 71 30.188 -4.694 3.221 1.00 0.00 O flip ATOM 720 ND2 ASN A 71 30.360 -2.757 4.249 1.00 0.00 N flip ATOM 0 H ASN A 71 28.292 -1.236 2.492 1.00 0.00 H new ATOM 0 HA ASN A 71 30.469 -0.737 2.372 1.00 0.00 H new ATOM 0 HB2 ASN A 71 30.878 -3.488 1.109 1.00 0.00 H new ATOM 0 HB3 ASN A 71 32.048 -2.561 2.027 1.00 0.00 H new ATOM 0 HD21 ASN A 71 30.593 -1.764 4.241 1.00 0.00 H new ATOM 0 HD22 ASN A 71 30.025 -3.196 5.107 1.00 0.00 H new ATOM 727 N ASN A 72 29.862 0.020 -0.215 1.00 0.00 N ATOM 728 CA ASN A 72 30.103 0.551 -1.551 1.00 0.00 C ATOM 729 C ASN A 72 29.938 -0.545 -2.599 1.00 0.00 C ATOM 730 O ASN A 72 30.650 -0.565 -3.602 1.00 0.00 O ATOM 731 CB ASN A 72 31.511 1.145 -1.638 1.00 0.00 C ATOM 732 CG ASN A 72 31.682 2.239 -0.589 1.00 0.00 C ATOM 733 OD1 ASN A 72 32.561 2.144 0.268 1.00 0.00 O ATOM 734 ND2 ASN A 72 30.893 3.278 -0.603 1.00 0.00 N ATOM 0 H ASN A 72 29.155 0.523 0.321 1.00 0.00 H new ATOM 0 HA ASN A 72 29.373 1.336 -1.746 1.00 0.00 H new ATOM 0 HB2 ASN A 72 32.255 0.363 -1.484 1.00 0.00 H new ATOM 0 HB3 ASN A 72 31.681 1.555 -2.634 1.00 0.00 H new ATOM 0 HD21 ASN A 72 31.004 4.012 0.096 1.00 0.00 H new ATOM 0 HD22 ASN A 72 30.165 3.356 -1.313 1.00 0.00 H new ATOM 741 N LYS A 73 28.988 -1.444 -2.368 1.00 0.00 N ATOM 742 CA LYS A 73 28.743 -2.523 -3.313 1.00 0.00 C ATOM 743 C LYS A 73 27.243 -2.763 -3.471 1.00 0.00 C ATOM 744 O LYS A 73 26.570 -3.171 -2.528 1.00 0.00 O ATOM 745 CB LYS A 73 29.425 -3.800 -2.820 1.00 0.00 C ATOM 746 CG LYS A 73 29.438 -4.840 -3.938 1.00 0.00 C ATOM 747 CD LYS A 73 30.396 -5.974 -3.561 1.00 0.00 C ATOM 748 CE LYS A 73 29.863 -6.713 -2.332 1.00 0.00 C ATOM 749 NZ LYS A 73 30.785 -7.831 -1.981 1.00 0.00 N ATOM 0 H LYS A 73 28.384 -1.447 -1.546 1.00 0.00 H new ATOM 0 HA LYS A 73 29.154 -2.243 -4.283 1.00 0.00 H new ATOM 0 HB2 LYS A 73 30.444 -3.580 -2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 73 28.898 -4.193 -1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 73 28.434 -5.234 -4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 73 29.751 -4.380 -4.875 1.00 0.00 H new ATOM 0 HD2 LYS A 73 30.502 -6.666 -4.396 1.00 0.00 H new ATOM 0 HD3 LYS A 73 31.387 -5.571 -3.353 1.00 0.00 H new ATOM 0 HE2 LYS A 73 29.774 -6.025 -1.492 1.00 0.00 H new ATOM 0 HE3 LYS A 73 28.865 -7.101 -2.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 30.247 -8.594 -1.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 31.234 -8.195 -2.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 31.518 -7.485 -1.330 1.00 0.00 H new ATOM 763 N VAL A 74 26.724 -2.510 -4.666 1.00 0.00 N ATOM 764 CA VAL A 74 25.301 -2.706 -4.919 1.00 0.00 C ATOM 765 C VAL A 74 25.048 -4.097 -5.484 1.00 0.00 C ATOM 766 O VAL A 74 25.682 -4.505 -6.457 1.00 0.00 O ATOM 767 CB VAL A 74 24.800 -1.650 -5.906 1.00 0.00 C ATOM 768 CG1 VAL A 74 23.313 -1.874 -6.191 1.00 0.00 C ATOM 769 CG2 VAL A 74 24.999 -0.256 -5.304 1.00 0.00 C ATOM 0 H VAL A 74 27.259 -2.173 -5.467 1.00 0.00 H new ATOM 0 HA VAL A 74 24.762 -2.607 -3.977 1.00 0.00 H new ATOM 0 HB VAL A 74 25.362 -1.730 -6.837 1.00 0.00 H new ATOM 0 HG11 VAL A 74 22.960 -1.120 -6.894 1.00 0.00 H new ATOM 0 HG12 VAL A 74 23.170 -2.866 -6.620 1.00 0.00 H new ATOM 0 HG13 VAL A 74 22.749 -1.796 -5.262 1.00 0.00 H new ATOM 0 HG21 VAL A 74 24.643 0.498 -6.006 1.00 0.00 H new ATOM 0 HG22 VAL A 74 24.438 -0.178 -4.373 1.00 0.00 H new ATOM 0 HG23 VAL A 74 26.058 -0.094 -5.104 1.00 0.00 H new ATOM 779 N GLY A 75 24.120 -4.825 -4.869 1.00 0.00 N ATOM 780 CA GLY A 75 23.799 -6.171 -5.324 1.00 0.00 C ATOM 781 C GLY A 75 22.390 -6.565 -4.896 1.00 0.00 C ATOM 782 O GLY A 75 21.688 -5.793 -4.240 1.00 0.00 O ATOM 0 H GLY A 75 23.583 -4.508 -4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.882 -6.222 -6.410 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.520 -6.879 -4.915 1.00 0.00 H new ATOM 786 N ASN A 76 21.985 -7.775 -5.271 1.00 0.00 N ATOM 787 CA ASN A 76 20.660 -8.275 -4.928 1.00 0.00 C ATOM 788 C ASN A 76 20.738 -9.297 -3.797 1.00 0.00 C ATOM 789 O ASN A 76 21.785 -9.896 -3.549 1.00 0.00 O ATOM 790 CB ASN A 76 20.000 -8.913 -6.154 1.00 0.00 C ATOM 791 CG ASN A 76 19.505 -7.828 -7.106 1.00 0.00 C ATOM 792 OD1 ASN A 76 18.450 -7.235 -6.877 1.00 0.00 O ATOM 793 ND2 ASN A 76 20.207 -7.527 -8.164 1.00 0.00 N ATOM 0 H ASN A 76 22.555 -8.425 -5.812 1.00 0.00 H new ATOM 0 HA ASN A 76 20.058 -7.430 -4.593 1.00 0.00 H new ATOM 0 HB2 ASN A 76 20.713 -9.559 -6.666 1.00 0.00 H new ATOM 0 HB3 ASN A 76 19.166 -9.542 -5.842 1.00 0.00 H new ATOM 0 HD21 ASN A 76 19.882 -6.800 -8.802 1.00 0.00 H new ATOM 0 HD22 ASN A 76 21.081 -8.018 -8.353 1.00 0.00 H new ATOM 800 N PHE A 77 19.614 -9.478 -3.116 1.00 0.00 N ATOM 801 CA PHE A 77 19.534 -10.420 -2.005 1.00 0.00 C ATOM 802 C PHE A 77 18.099 -10.887 -1.779 1.00 0.00 C ATOM 803 O PHE A 77 17.142 -10.248 -2.224 1.00 0.00 O ATOM 804 CB PHE A 77 20.097 -9.775 -0.732 1.00 0.00 C ATOM 805 CG PHE A 77 19.647 -8.342 -0.654 1.00 0.00 C ATOM 806 CD1 PHE A 77 18.445 -8.007 -0.023 1.00 0.00 C ATOM 807 CD2 PHE A 77 20.439 -7.345 -1.230 1.00 0.00 C ATOM 808 CE1 PHE A 77 18.037 -6.668 0.031 1.00 0.00 C ATOM 809 CE2 PHE A 77 20.034 -6.010 -1.175 1.00 0.00 C ATOM 810 CZ PHE A 77 18.832 -5.669 -0.546 1.00 0.00 C ATOM 0 H PHE A 77 18.743 -8.985 -3.313 1.00 0.00 H new ATOM 0 HA PHE A 77 20.132 -11.297 -2.254 1.00 0.00 H new ATOM 0 HB2 PHE A 77 19.757 -10.322 0.147 1.00 0.00 H new ATOM 0 HB3 PHE A 77 21.186 -9.826 -0.737 1.00 0.00 H new ATOM 0 HD1 PHE A 77 17.833 -8.778 0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 77 21.366 -7.608 -1.718 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.109 -6.406 0.518 1.00 0.00 H new ATOM 0 HE2 PHE A 77 20.649 -5.241 -1.618 1.00 0.00 H new ATOM 0 HZ PHE A 77 18.517 -4.637 -0.505 1.00 0.00 H new ATOM 820 N LYS A 78 17.965 -12.018 -1.094 1.00 0.00 N ATOM 821 CA LYS A 78 16.654 -12.591 -0.820 1.00 0.00 C ATOM 822 C LYS A 78 15.825 -11.667 0.066 1.00 0.00 C ATOM 823 O LYS A 78 16.172 -11.401 1.222 1.00 0.00 O ATOM 824 CB LYS A 78 16.806 -13.954 -0.138 1.00 0.00 C ATOM 825 CG LYS A 78 15.997 -15.004 -0.908 1.00 0.00 C ATOM 826 CD LYS A 78 16.720 -15.352 -2.212 1.00 0.00 C ATOM 827 CE LYS A 78 17.870 -16.317 -1.917 1.00 0.00 C ATOM 828 NZ LYS A 78 18.515 -16.728 -3.197 1.00 0.00 N ATOM 0 H LYS A 78 18.747 -12.554 -0.719 1.00 0.00 H new ATOM 0 HA LYS A 78 16.137 -12.715 -1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.857 -14.241 -0.106 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.459 -13.897 0.894 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.871 -15.900 -0.299 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.999 -14.623 -1.124 1.00 0.00 H new ATOM 0 HD2 LYS A 78 16.023 -15.805 -2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.103 -14.446 -2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.602 -15.839 -1.266 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.497 -17.194 -1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.297 -17.384 -2.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.814 -17.200 -3.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.885 -15.887 -3.685 1.00 0.00 H new ATOM 842 N PHE A 79 14.721 -11.184 -0.486 1.00 0.00 N ATOM 843 CA PHE A 79 13.840 -10.295 0.256 1.00 0.00 C ATOM 844 C PHE A 79 13.350 -10.971 1.532 1.00 0.00 C ATOM 845 O PHE A 79 13.078 -10.308 2.529 1.00 0.00 O ATOM 846 CB PHE A 79 12.645 -9.898 -0.611 1.00 0.00 C ATOM 847 CG PHE A 79 11.871 -11.135 -0.999 1.00 0.00 C ATOM 848 CD1 PHE A 79 10.823 -11.594 -0.196 1.00 0.00 C ATOM 849 CD2 PHE A 79 12.210 -11.825 -2.169 1.00 0.00 C ATOM 850 CE1 PHE A 79 10.112 -12.745 -0.563 1.00 0.00 C ATOM 851 CE2 PHE A 79 11.506 -12.969 -2.538 1.00 0.00 C ATOM 852 CZ PHE A 79 10.454 -13.434 -1.737 1.00 0.00 C ATOM 0 H PHE A 79 14.416 -11.391 -1.437 1.00 0.00 H new ATOM 0 HA PHE A 79 14.400 -9.400 0.527 1.00 0.00 H new ATOM 0 HB2 PHE A 79 12.000 -9.209 -0.066 1.00 0.00 H new ATOM 0 HB3 PHE A 79 12.988 -9.376 -1.504 1.00 0.00 H new ATOM 0 HD1 PHE A 79 10.561 -11.062 0.707 1.00 0.00 H new ATOM 0 HD2 PHE A 79 13.020 -11.469 -2.788 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.302 -13.101 0.057 1.00 0.00 H new ATOM 0 HE2 PHE A 79 11.771 -13.498 -3.442 1.00 0.00 H new ATOM 0 HZ PHE A 79 9.908 -14.321 -2.023 1.00 0.00 H new ATOM 862 N ILE A 80 13.256 -12.293 1.493 1.00 0.00 N ATOM 863 CA ILE A 80 12.817 -13.054 2.657 1.00 0.00 C ATOM 864 C ILE A 80 13.926 -13.122 3.717 1.00 0.00 C ATOM 865 O ILE A 80 13.655 -13.121 4.919 1.00 0.00 O ATOM 866 CB ILE A 80 12.404 -14.463 2.228 1.00 0.00 C ATOM 867 CG1 ILE A 80 11.854 -15.213 3.442 1.00 0.00 C ATOM 868 CG2 ILE A 80 13.600 -15.223 1.636 1.00 0.00 C ATOM 869 CD1 ILE A 80 11.318 -16.571 2.998 1.00 0.00 C ATOM 0 H ILE A 80 13.476 -12.859 0.674 1.00 0.00 H new ATOM 0 HA ILE A 80 11.959 -12.549 3.100 1.00 0.00 H new ATOM 0 HB ILE A 80 11.635 -14.391 1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 80 12.638 -15.345 4.188 1.00 0.00 H new ATOM 0 HG13 ILE A 80 11.061 -14.633 3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 80 13.284 -16.223 1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 80 13.977 -14.686 0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 80 14.389 -15.300 2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.925 -17.107 3.862 1.00 0.00 H new ATOM 0 HD12 ILE A 80 10.522 -16.427 2.268 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.124 -17.150 2.547 1.00 0.00 H new ATOM 881 N TYR A 81 15.170 -13.171 3.247 1.00 0.00 N ATOM 882 CA TYR A 81 16.338 -13.230 4.127 1.00 0.00 C ATOM 883 C TYR A 81 16.559 -11.887 4.812 1.00 0.00 C ATOM 884 O TYR A 81 17.208 -11.807 5.861 1.00 0.00 O ATOM 885 CB TYR A 81 17.576 -13.623 3.302 1.00 0.00 C ATOM 886 CG TYR A 81 17.538 -15.105 2.926 1.00 0.00 C ATOM 887 CD1 TYR A 81 16.515 -15.952 3.391 1.00 0.00 C ATOM 888 CD2 TYR A 81 18.538 -15.634 2.095 1.00 0.00 C ATOM 889 CE1 TYR A 81 16.497 -17.305 3.027 1.00 0.00 C ATOM 890 CE2 TYR A 81 18.514 -16.990 1.735 1.00 0.00 C ATOM 891 CZ TYR A 81 17.495 -17.821 2.205 1.00 0.00 C ATOM 892 OH TYR A 81 17.471 -19.153 1.858 1.00 0.00 O ATOM 0 H TYR A 81 15.398 -13.171 2.253 1.00 0.00 H new ATOM 0 HA TYR A 81 16.168 -13.979 4.900 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.622 -13.016 2.398 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.480 -13.413 3.874 1.00 0.00 H new ATOM 0 HD1 TYR A 81 15.740 -15.557 4.031 1.00 0.00 H new ATOM 0 HD2 TYR A 81 19.329 -14.995 1.731 1.00 0.00 H new ATOM 0 HE1 TYR A 81 15.707 -17.949 3.385 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.285 -17.391 1.094 1.00 0.00 H new ATOM 0 HH TYR A 81 18.236 -19.354 1.279 1.00 0.00 H new ATOM 902 N VAL A 82 16.002 -10.838 4.225 1.00 0.00 N ATOM 903 CA VAL A 82 16.131 -9.516 4.801 1.00 0.00 C ATOM 904 C VAL A 82 14.764 -9.000 5.242 1.00 0.00 C ATOM 905 O VAL A 82 13.727 -9.479 4.787 1.00 0.00 O ATOM 906 CB VAL A 82 16.743 -8.564 3.786 1.00 0.00 C ATOM 907 CG1 VAL A 82 15.694 -8.200 2.731 1.00 0.00 C ATOM 908 CG2 VAL A 82 17.219 -7.303 4.508 1.00 0.00 C ATOM 0 H VAL A 82 15.463 -10.879 3.360 1.00 0.00 H new ATOM 0 HA VAL A 82 16.784 -9.573 5.672 1.00 0.00 H new ATOM 0 HB VAL A 82 17.591 -9.040 3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 82 16.132 -7.517 2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 82 15.358 -9.105 2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 82 14.844 -7.718 3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 82 17.659 -6.615 3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 82 16.372 -6.822 4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 82 17.965 -7.572 5.256 1.00 0.00 H new ATOM 918 N ASP A 83 14.775 -8.018 6.133 1.00 0.00 N ATOM 919 CA ASP A 83 13.532 -7.436 6.631 1.00 0.00 C ATOM 920 C ASP A 83 13.563 -5.920 6.512 1.00 0.00 C ATOM 921 O ASP A 83 14.620 -5.303 6.587 1.00 0.00 O ATOM 922 CB ASP A 83 13.309 -7.825 8.092 1.00 0.00 C ATOM 923 CG ASP A 83 12.147 -7.027 8.676 1.00 0.00 C ATOM 924 OD1 ASP A 83 12.400 -5.974 9.238 1.00 0.00 O ATOM 925 OD2 ASP A 83 11.021 -7.480 8.551 1.00 0.00 O ATOM 0 H ASP A 83 15.623 -7.609 6.525 1.00 0.00 H new ATOM 0 HA ASP A 83 12.713 -7.824 6.025 1.00 0.00 H new ATOM 0 HB2 ASP A 83 13.100 -8.892 8.164 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.215 -7.638 8.669 1.00 0.00 H new ATOM 930 N VAL A 84 12.393 -5.328 6.315 1.00 0.00 N ATOM 931 CA VAL A 84 12.299 -3.876 6.183 1.00 0.00 C ATOM 932 C VAL A 84 12.016 -3.232 7.535 1.00 0.00 C ATOM 933 O VAL A 84 11.163 -3.699 8.290 1.00 0.00 O ATOM 934 CB VAL A 84 11.195 -3.501 5.188 1.00 0.00 C ATOM 935 CG1 VAL A 84 9.916 -4.285 5.496 1.00 0.00 C ATOM 936 CG2 VAL A 84 10.906 -2.000 5.290 1.00 0.00 C ATOM 0 H VAL A 84 11.503 -5.822 6.243 1.00 0.00 H new ATOM 0 HA VAL A 84 13.254 -3.505 5.810 1.00 0.00 H new ATOM 0 HB VAL A 84 11.529 -3.746 4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.140 -4.010 4.782 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.117 -5.354 5.419 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.580 -4.051 6.506 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.121 -1.732 4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.580 -1.760 6.302 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.811 -1.439 5.058 1.00 0.00 H new ATOM 946 N ILE A 85 12.736 -2.152 7.832 1.00 0.00 N ATOM 947 CA ILE A 85 12.552 -1.447 9.095 1.00 0.00 C ATOM 948 C ILE A 85 12.156 0.003 8.843 1.00 0.00 C ATOM 949 O ILE A 85 12.402 0.546 7.766 1.00 0.00 O ATOM 950 CB ILE A 85 13.841 -1.485 9.924 1.00 0.00 C ATOM 951 CG1 ILE A 85 15.001 -0.928 9.095 1.00 0.00 C ATOM 952 CG2 ILE A 85 14.160 -2.926 10.324 1.00 0.00 C ATOM 953 CD1 ILE A 85 16.172 -0.578 10.013 1.00 0.00 C ATOM 0 H ILE A 85 13.446 -1.750 7.220 1.00 0.00 H new ATOM 0 HA ILE A 85 11.756 -1.946 9.648 1.00 0.00 H new ATOM 0 HB ILE A 85 13.704 -0.880 10.820 1.00 0.00 H new ATOM 0 HG12 ILE A 85 15.315 -1.662 8.353 1.00 0.00 H new ATOM 0 HG13 ILE A 85 14.677 -0.042 8.549 1.00 0.00 H new ATOM 0 HG21 ILE A 85 15.077 -2.946 10.913 1.00 0.00 H new ATOM 0 HG22 ILE A 85 13.339 -3.329 10.917 1.00 0.00 H new ATOM 0 HG23 ILE A 85 14.291 -3.532 9.427 1.00 0.00 H new ATOM 0 HD11 ILE A 85 16.995 -0.182 9.418 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.855 0.172 10.738 1.00 0.00 H new ATOM 0 HD13 ILE A 85 16.503 -1.474 10.539 1.00 0.00 H new ATOM 965 N SER A 86 11.535 0.623 9.842 1.00 0.00 N ATOM 966 CA SER A 86 11.104 2.009 9.714 1.00 0.00 C ATOM 967 C SER A 86 12.301 2.923 9.479 1.00 0.00 C ATOM 968 O SER A 86 13.353 2.757 10.098 1.00 0.00 O ATOM 969 CB SER A 86 10.369 2.445 10.982 1.00 0.00 C ATOM 970 OG SER A 86 10.012 3.817 10.868 1.00 0.00 O ATOM 0 H SER A 86 11.321 0.191 10.741 1.00 0.00 H new ATOM 0 HA SER A 86 10.431 2.083 8.859 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.477 1.836 11.127 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.004 2.294 11.855 1.00 0.00 H new ATOM 0 HG SER A 86 9.539 4.100 11.678 1.00 0.00 H new ATOM 976 N GLU A 87 12.134 3.886 8.580 1.00 0.00 N ATOM 977 CA GLU A 87 13.206 4.824 8.268 1.00 0.00 C ATOM 978 C GLU A 87 14.463 4.075 7.835 1.00 0.00 C ATOM 979 O GLU A 87 14.328 3.030 7.221 1.00 0.00 O ATOM 980 CB GLU A 87 13.521 5.684 9.493 1.00 0.00 C ATOM 981 CG GLU A 87 14.129 7.013 9.042 1.00 0.00 C ATOM 982 CD GLU A 87 13.065 7.863 8.356 1.00 0.00 C ATOM 983 OE1 GLU A 87 11.894 7.595 8.567 1.00 0.00 O ATOM 984 OE2 GLU A 87 13.437 8.770 7.628 1.00 0.00 O ATOM 0 H GLU A 87 11.272 4.038 8.057 1.00 0.00 H new ATOM 0 HA GLU A 87 12.876 5.464 7.450 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.612 5.864 10.067 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.214 5.159 10.150 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.536 7.547 9.901 1.00 0.00 H new ATOM 0 HG3 GLU A 87 14.958 6.830 8.358 1.00 0.00 H new TER 991 GLU A 87