USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 469 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 35 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 21 SER OG : rot -74:sc= 0.147! USER MOD Set 2.2: A 25 ASN :FLIP amide:sc= -2.27! C(o=-4.6!,f=-2.1!) USER MOD Single : A 1 ALA N :NH3+ 169:sc= 0.378 (180deg=0.326) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HE2:sc= -0.021 K(o=-0.021,f=-0.88) USER MOD Single : A 11 ASN : amide:sc= -0.0138 X(o=-0.014,f=-0.014) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.53 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 63:sc= 0.804 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.312 X(o=-0.31,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -142:sc= -0.205 (180deg=-1.1) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.0638 F(o=-1.7!,f=-0.064) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.45 X(o=-0.45,f=-0.011) USER MOD Single : A 56 ASN :FLIP amide:sc= -2.4 F(o=-5.1!,f=-2.4) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -3.38! C(o=-3.4!,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.602 11.427 2.167 1.00 0.00 N ATOM 2 CA ALA A 1 -3.565 10.289 2.187 1.00 0.00 C ATOM 3 C ALA A 1 -2.978 9.136 3.003 1.00 0.00 C ATOM 4 O ALA A 1 -1.797 9.103 3.285 1.00 0.00 O ATOM 5 CB ALA A 1 -3.826 9.819 0.754 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.912 12.131 1.467 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.565 11.867 3.109 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.657 11.077 1.911 1.00 0.00 H new ATOM 0 HA ALA A 1 -4.501 10.613 2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.530 8.987 0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -4.245 10.640 0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.889 9.495 0.301 1.00 0.00 H new ATOM 13 N ARG A 2 -3.796 8.191 3.383 1.00 0.00 N ATOM 14 CA ARG A 2 -3.294 7.036 4.181 1.00 0.00 C ATOM 15 C ARG A 2 -3.726 5.732 3.505 1.00 0.00 C ATOM 16 O ARG A 2 -4.840 5.609 3.035 1.00 0.00 O ATOM 17 CB ARG A 2 -3.885 7.100 5.590 1.00 0.00 C ATOM 18 CG ARG A 2 -3.245 6.022 6.466 1.00 0.00 C ATOM 19 CD ARG A 2 -3.911 6.018 7.843 1.00 0.00 C ATOM 20 NE ARG A 2 -5.343 5.634 7.700 1.00 0.00 N ATOM 21 CZ ARG A 2 -6.064 5.397 8.761 1.00 0.00 C ATOM 22 NH1 ARG A 2 -5.530 5.494 9.948 1.00 0.00 N ATOM 23 NH2 ARG A 2 -7.320 5.061 8.634 1.00 0.00 N ATOM 0 H ARG A 2 -4.794 8.170 3.174 1.00 0.00 H new ATOM 0 HA ARG A 2 -2.206 7.074 4.241 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.711 8.085 6.023 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.965 6.956 5.549 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.354 5.045 5.995 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.176 6.209 6.568 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.400 5.318 8.504 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.832 7.004 8.300 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.760 5.556 6.772 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.549 5.755 10.046 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.094 5.309 10.778 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.736 4.984 7.706 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.885 4.875 9.463 1.00 0.00 H new ATOM 37 N ASP A 3 -2.860 4.755 3.449 1.00 0.00 N ATOM 38 CA ASP A 3 -3.238 3.467 2.801 1.00 0.00 C ATOM 39 C ASP A 3 -3.627 2.452 3.877 1.00 0.00 C ATOM 40 O ASP A 3 -3.117 2.482 4.980 1.00 0.00 O ATOM 41 CB ASP A 3 -2.059 2.930 1.993 1.00 0.00 C ATOM 42 CG ASP A 3 -1.715 3.912 0.872 1.00 0.00 C ATOM 43 OD1 ASP A 3 -2.543 4.759 0.579 1.00 0.00 O ATOM 44 OD2 ASP A 3 -0.630 3.800 0.326 1.00 0.00 O ATOM 0 H ASP A 3 -1.912 4.793 3.822 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.084 3.633 2.133 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.195 2.787 2.642 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.307 1.955 1.573 1.00 0.00 H new ATOM 49 N ALA A 4 -4.533 1.559 3.570 1.00 0.00 N ATOM 50 CA ALA A 4 -4.966 0.550 4.579 1.00 0.00 C ATOM 51 C ALA A 4 -4.397 -0.830 4.235 1.00 0.00 C ATOM 52 O ALA A 4 -3.393 -1.250 4.771 1.00 0.00 O ATOM 53 CB ALA A 4 -6.494 0.476 4.596 1.00 0.00 C ATOM 0 H ALA A 4 -4.992 1.486 2.662 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.595 0.850 5.559 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.814 -0.261 5.333 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.903 1.452 4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.855 0.184 3.610 1.00 0.00 H new ATOM 59 N TYR A 5 -5.041 -1.546 3.356 1.00 0.00 N ATOM 60 CA TYR A 5 -4.544 -2.905 2.994 1.00 0.00 C ATOM 61 C TYR A 5 -3.755 -2.832 1.685 1.00 0.00 C ATOM 62 O TYR A 5 -3.350 -3.838 1.139 1.00 0.00 O ATOM 63 CB TYR A 5 -5.740 -3.843 2.799 1.00 0.00 C ATOM 64 CG TYR A 5 -6.620 -3.817 4.027 1.00 0.00 C ATOM 65 CD1 TYR A 5 -7.663 -2.888 4.119 1.00 0.00 C ATOM 66 CD2 TYR A 5 -6.402 -4.727 5.069 1.00 0.00 C ATOM 67 CE1 TYR A 5 -8.486 -2.867 5.250 1.00 0.00 C ATOM 68 CE2 TYR A 5 -7.224 -4.706 6.202 1.00 0.00 C ATOM 69 CZ TYR A 5 -8.267 -3.777 6.292 1.00 0.00 C ATOM 70 OH TYR A 5 -9.080 -3.756 7.408 1.00 0.00 O ATOM 0 H TYR A 5 -5.889 -1.250 2.873 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.900 -3.278 3.791 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -6.313 -3.538 1.924 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -5.390 -4.858 2.613 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -7.833 -2.186 3.316 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.599 -5.446 4.998 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.290 -2.149 5.320 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -7.053 -5.406 7.006 1.00 0.00 H new ATOM 0 HH TYR A 5 -8.793 -4.453 8.035 1.00 0.00 H new ATOM 80 N ILE A 6 -3.542 -1.648 1.177 1.00 0.00 N ATOM 81 CA ILE A 6 -2.795 -1.500 -0.103 1.00 0.00 C ATOM 82 C ILE A 6 -1.504 -0.712 0.123 1.00 0.00 C ATOM 83 O ILE A 6 -1.355 -0.016 1.106 1.00 0.00 O ATOM 84 CB ILE A 6 -3.679 -0.756 -1.109 1.00 0.00 C ATOM 85 CG1 ILE A 6 -3.986 0.651 -0.588 1.00 0.00 C ATOM 86 CG2 ILE A 6 -4.989 -1.521 -1.305 1.00 0.00 C ATOM 87 CD1 ILE A 6 -4.844 1.398 -1.610 1.00 0.00 C ATOM 0 H ILE A 6 -3.856 -0.773 1.597 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.538 -2.487 -0.487 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.153 -0.683 -2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.509 0.591 0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.058 1.195 -0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.617 -0.990 -2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.774 -2.521 -1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.512 -1.598 -0.352 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.062 2.399 -1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.305 1.470 -2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.777 0.857 -1.766 1.00 0.00 H new ATOM 99 N ALA A 7 -0.575 -0.813 -0.790 1.00 0.00 N ATOM 100 CA ALA A 7 0.705 -0.066 -0.650 1.00 0.00 C ATOM 101 C ALA A 7 0.812 0.943 -1.792 1.00 0.00 C ATOM 102 O ALA A 7 1.718 1.752 -1.840 1.00 0.00 O ATOM 103 CB ALA A 7 1.883 -1.039 -0.716 1.00 0.00 C ATOM 0 H ALA A 7 -0.650 -1.385 -1.631 1.00 0.00 H new ATOM 0 HA ALA A 7 0.726 0.452 0.309 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.817 -0.487 -0.613 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.800 -1.766 0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.872 -1.559 -1.674 1.00 0.00 H new ATOM 109 N LYS A 8 -0.116 0.900 -2.710 1.00 0.00 N ATOM 110 CA LYS A 8 -0.088 1.850 -3.854 1.00 0.00 C ATOM 111 C LYS A 8 -1.219 2.867 -3.681 1.00 0.00 C ATOM 112 O LYS A 8 -2.200 2.603 -3.017 1.00 0.00 O ATOM 113 CB LYS A 8 -0.291 1.091 -5.172 1.00 0.00 C ATOM 114 CG LYS A 8 -0.110 -0.417 -4.958 1.00 0.00 C ATOM 115 CD LYS A 8 1.343 -0.716 -4.577 1.00 0.00 C ATOM 116 CE LYS A 8 2.150 -1.012 -5.842 1.00 0.00 C ATOM 117 NZ LYS A 8 3.605 -0.879 -5.547 1.00 0.00 N ATOM 0 H LYS A 8 -0.896 0.243 -2.714 1.00 0.00 H new ATOM 0 HA LYS A 8 0.876 2.358 -3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.288 1.291 -5.564 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.421 1.447 -5.916 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.781 -0.765 -4.172 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.376 -0.957 -5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.774 0.134 -4.048 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.385 -1.568 -3.898 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.931 -2.019 -6.198 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.865 -0.323 -6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.153 -1.080 -6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.807 0.089 -5.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.871 -1.553 -4.801 1.00 0.00 H new ATOM 131 N PRO A 9 -1.083 4.023 -4.274 1.00 0.00 N ATOM 132 CA PRO A 9 -2.112 5.096 -4.180 1.00 0.00 C ATOM 133 C PRO A 9 -3.408 4.735 -4.914 1.00 0.00 C ATOM 134 O PRO A 9 -4.487 4.826 -4.362 1.00 0.00 O ATOM 135 CB PRO A 9 -1.449 6.310 -4.834 1.00 0.00 C ATOM 136 CG PRO A 9 -0.382 5.757 -5.721 1.00 0.00 C ATOM 137 CD PRO A 9 0.066 4.434 -5.097 1.00 0.00 C ATOM 0 HA PRO A 9 -2.409 5.269 -3.146 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.172 6.890 -5.406 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.027 6.978 -4.083 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.761 5.600 -6.731 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.455 6.451 -5.799 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.297 3.691 -5.860 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.965 4.561 -4.493 1.00 0.00 H new ATOM 145 N HIS A 10 -3.311 4.336 -6.156 1.00 0.00 N ATOM 146 CA HIS A 10 -4.536 3.978 -6.927 1.00 0.00 C ATOM 147 C HIS A 10 -4.522 2.487 -7.277 1.00 0.00 C ATOM 148 O HIS A 10 -5.413 1.995 -7.941 1.00 0.00 O ATOM 149 CB HIS A 10 -4.578 4.802 -8.217 1.00 0.00 C ATOM 150 CG HIS A 10 -4.638 6.266 -7.874 1.00 0.00 C ATOM 151 ND1 HIS A 10 -3.494 7.038 -7.722 1.00 0.00 N ATOM 152 CD2 HIS A 10 -5.695 7.115 -7.654 1.00 0.00 C ATOM 153 CE1 HIS A 10 -3.887 8.290 -7.423 1.00 0.00 C ATOM 154 NE2 HIS A 10 -5.216 8.388 -7.371 1.00 0.00 N ATOM 0 H HIS A 10 -2.434 4.243 -6.669 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.416 4.192 -6.320 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.696 4.595 -8.822 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.446 4.521 -8.813 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -2.531 6.715 -7.819 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -6.738 6.836 -7.695 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -3.210 9.113 -7.247 1.00 0.00 H new ATOM 163 N ASN A 11 -3.519 1.768 -6.847 1.00 0.00 N ATOM 164 CA ASN A 11 -3.451 0.310 -7.168 1.00 0.00 C ATOM 165 C ASN A 11 -3.297 -0.502 -5.878 1.00 0.00 C ATOM 166 O ASN A 11 -3.078 0.040 -4.812 1.00 0.00 O ATOM 167 CB ASN A 11 -2.255 0.047 -8.087 1.00 0.00 C ATOM 168 CG ASN A 11 -2.345 0.958 -9.312 1.00 0.00 C ATOM 169 OD1 ASN A 11 -3.074 0.674 -10.243 1.00 0.00 O ATOM 170 ND2 ASN A 11 -1.638 2.054 -9.349 1.00 0.00 N ATOM 0 H ASN A 11 -2.744 2.126 -6.288 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.370 0.009 -7.670 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.324 0.231 -7.551 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.244 -0.998 -8.397 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.697 2.672 -10.158 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.026 2.293 -8.569 1.00 0.00 H new ATOM 177 N CYS A 12 -3.416 -1.800 -5.971 1.00 0.00 N ATOM 178 CA CYS A 12 -3.284 -2.660 -4.759 1.00 0.00 C ATOM 179 C CYS A 12 -1.986 -3.464 -4.848 1.00 0.00 C ATOM 180 O CYS A 12 -1.256 -3.375 -5.815 1.00 0.00 O ATOM 181 CB CYS A 12 -4.471 -3.624 -4.684 1.00 0.00 C ATOM 182 SG CYS A 12 -6.018 -2.702 -4.862 1.00 0.00 S ATOM 0 H CYS A 12 -3.600 -2.304 -6.839 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.268 -2.032 -3.868 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.392 -4.375 -5.470 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.461 -4.156 -3.732 1.00 0.00 H new ATOM 187 N VAL A 13 -1.688 -4.248 -3.846 1.00 0.00 N ATOM 188 CA VAL A 13 -0.433 -5.051 -3.881 1.00 0.00 C ATOM 189 C VAL A 13 -0.758 -6.495 -4.267 1.00 0.00 C ATOM 190 O VAL A 13 -1.588 -7.140 -3.659 1.00 0.00 O ATOM 191 CB VAL A 13 0.223 -5.037 -2.498 1.00 0.00 C ATOM 192 CG1 VAL A 13 1.569 -5.761 -2.565 1.00 0.00 C ATOM 193 CG2 VAL A 13 0.448 -3.591 -2.056 1.00 0.00 C ATOM 0 H VAL A 13 -2.258 -4.366 -3.008 1.00 0.00 H new ATOM 0 HA VAL A 13 0.248 -4.620 -4.615 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.427 -5.541 -1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.037 -5.751 -1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.412 -6.792 -2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.218 -5.256 -3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.915 -3.580 -1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.099 -3.089 -2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.509 -3.072 -2.009 1.00 0.00 H new ATOM 203 N TYR A 14 -0.099 -7.011 -5.269 1.00 0.00 N ATOM 204 CA TYR A 14 -0.357 -8.417 -5.690 1.00 0.00 C ATOM 205 C TYR A 14 0.284 -9.368 -4.678 1.00 0.00 C ATOM 206 O TYR A 14 -0.212 -10.446 -4.420 1.00 0.00 O ATOM 207 CB TYR A 14 0.241 -8.654 -7.079 1.00 0.00 C ATOM 208 CG TYR A 14 1.743 -8.771 -6.975 1.00 0.00 C ATOM 209 CD1 TYR A 14 2.534 -7.617 -6.934 1.00 0.00 C ATOM 210 CD2 TYR A 14 2.345 -10.034 -6.926 1.00 0.00 C ATOM 211 CE1 TYR A 14 3.926 -7.726 -6.842 1.00 0.00 C ATOM 212 CE2 TYR A 14 3.737 -10.143 -6.835 1.00 0.00 C ATOM 213 CZ TYR A 14 4.528 -8.990 -6.793 1.00 0.00 C ATOM 214 OH TYR A 14 5.901 -9.098 -6.702 1.00 0.00 O ATOM 0 H TYR A 14 0.608 -6.518 -5.815 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.431 -8.599 -5.730 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.175 -9.563 -7.514 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.024 -7.832 -7.744 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.070 -6.643 -6.973 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.735 -10.924 -6.958 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.536 -6.836 -6.809 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.201 -11.118 -6.797 1.00 0.00 H new ATOM 0 HH TYR A 14 6.154 -10.045 -6.677 1.00 0.00 H new ATOM 224 N GLU A 15 1.384 -8.968 -4.099 1.00 0.00 N ATOM 225 CA GLU A 15 2.061 -9.838 -3.097 1.00 0.00 C ATOM 226 C GLU A 15 3.197 -9.053 -2.444 1.00 0.00 C ATOM 227 O GLU A 15 4.277 -8.939 -2.991 1.00 0.00 O ATOM 228 CB GLU A 15 2.646 -11.070 -3.790 1.00 0.00 C ATOM 229 CG GLU A 15 3.107 -12.076 -2.734 1.00 0.00 C ATOM 230 CD GLU A 15 3.787 -13.262 -3.421 1.00 0.00 C ATOM 231 OE1 GLU A 15 3.900 -13.233 -4.635 1.00 0.00 O ATOM 232 OE2 GLU A 15 4.182 -14.179 -2.721 1.00 0.00 O ATOM 0 H GLU A 15 1.843 -8.075 -4.278 1.00 0.00 H new ATOM 0 HA GLU A 15 1.338 -10.153 -2.345 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.898 -11.525 -4.440 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.485 -10.781 -4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.799 -11.599 -2.040 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.255 -12.421 -2.149 1.00 0.00 H new ATOM 239 N CYS A 16 2.974 -8.513 -1.280 1.00 0.00 N ATOM 240 CA CYS A 16 4.060 -7.746 -0.613 1.00 0.00 C ATOM 241 C CYS A 16 5.109 -8.724 -0.087 1.00 0.00 C ATOM 242 O CYS A 16 4.884 -9.435 0.872 1.00 0.00 O ATOM 243 CB CYS A 16 3.488 -6.940 0.554 1.00 0.00 C ATOM 244 SG CYS A 16 4.853 -6.231 1.509 1.00 0.00 S ATOM 0 H CYS A 16 2.095 -8.568 -0.765 1.00 0.00 H new ATOM 0 HA CYS A 16 4.514 -7.062 -1.330 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.838 -6.148 0.181 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.877 -7.581 1.190 1.00 0.00 H new ATOM 249 N PHE A 17 6.255 -8.763 -0.705 1.00 0.00 N ATOM 250 CA PHE A 17 7.317 -9.693 -0.237 1.00 0.00 C ATOM 251 C PHE A 17 7.465 -9.542 1.280 1.00 0.00 C ATOM 252 O PHE A 17 7.237 -8.485 1.832 1.00 0.00 O ATOM 253 CB PHE A 17 8.625 -9.355 -0.956 1.00 0.00 C ATOM 254 CG PHE A 17 9.786 -9.386 0.009 1.00 0.00 C ATOM 255 CD1 PHE A 17 10.316 -10.612 0.429 1.00 0.00 C ATOM 256 CD2 PHE A 17 10.344 -8.188 0.469 1.00 0.00 C ATOM 257 CE1 PHE A 17 11.403 -10.638 1.312 1.00 0.00 C ATOM 258 CE2 PHE A 17 11.428 -8.214 1.353 1.00 0.00 C ATOM 259 CZ PHE A 17 11.959 -9.439 1.774 1.00 0.00 C ATOM 0 H PHE A 17 6.502 -8.192 -1.513 1.00 0.00 H new ATOM 0 HA PHE A 17 7.057 -10.727 -0.462 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.797 -10.067 -1.763 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.551 -8.368 -1.412 1.00 0.00 H new ATOM 0 HD1 PHE A 17 9.887 -11.537 0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.938 -7.243 0.141 1.00 0.00 H new ATOM 0 HE1 PHE A 17 11.812 -11.583 1.637 1.00 0.00 H new ATOM 0 HE2 PHE A 17 11.855 -7.289 1.711 1.00 0.00 H new ATOM 0 HZ PHE A 17 12.797 -9.459 2.455 1.00 0.00 H new ATOM 269 N ASP A 18 7.811 -10.599 1.962 1.00 0.00 N ATOM 270 CA ASP A 18 7.934 -10.523 3.446 1.00 0.00 C ATOM 271 C ASP A 18 9.192 -9.752 3.840 1.00 0.00 C ATOM 272 O ASP A 18 10.300 -10.163 3.563 1.00 0.00 O ATOM 273 CB ASP A 18 8.009 -11.940 4.018 1.00 0.00 C ATOM 274 CG ASP A 18 8.018 -11.875 5.547 1.00 0.00 C ATOM 275 OD1 ASP A 18 7.836 -10.790 6.076 1.00 0.00 O ATOM 276 OD2 ASP A 18 8.207 -12.911 6.164 1.00 0.00 O ATOM 0 H ASP A 18 8.014 -11.512 1.556 1.00 0.00 H new ATOM 0 HA ASP A 18 7.064 -10.003 3.846 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.158 -12.528 3.674 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.908 -12.441 3.660 1.00 0.00 H new ATOM 281 N ALA A 19 9.025 -8.638 4.499 1.00 0.00 N ATOM 282 CA ALA A 19 10.205 -7.836 4.928 1.00 0.00 C ATOM 283 C ALA A 19 9.950 -7.279 6.328 1.00 0.00 C ATOM 284 O ALA A 19 8.829 -6.989 6.695 1.00 0.00 O ATOM 285 CB ALA A 19 10.421 -6.678 3.950 1.00 0.00 C ATOM 0 H ALA A 19 8.119 -8.248 4.759 1.00 0.00 H new ATOM 0 HA ALA A 19 11.093 -8.468 4.939 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.284 -6.092 4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.597 -7.074 2.950 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.536 -6.042 3.938 1.00 0.00 H new ATOM 291 N PHE A 20 10.979 -7.126 7.115 1.00 0.00 N ATOM 292 CA PHE A 20 10.784 -6.585 8.489 1.00 0.00 C ATOM 293 C PHE A 20 10.135 -5.203 8.393 1.00 0.00 C ATOM 294 O PHE A 20 9.209 -4.889 9.115 1.00 0.00 O ATOM 295 CB PHE A 20 12.140 -6.473 9.189 1.00 0.00 C ATOM 296 CG PHE A 20 11.932 -6.093 10.636 1.00 0.00 C ATOM 297 CD1 PHE A 20 11.588 -7.074 11.574 1.00 0.00 C ATOM 298 CD2 PHE A 20 12.085 -4.762 11.040 1.00 0.00 C ATOM 299 CE1 PHE A 20 11.395 -6.723 12.916 1.00 0.00 C ATOM 300 CE2 PHE A 20 11.894 -4.411 12.383 1.00 0.00 C ATOM 301 CZ PHE A 20 11.548 -5.392 13.320 1.00 0.00 C ATOM 0 H PHE A 20 11.943 -7.351 6.867 1.00 0.00 H new ATOM 0 HA PHE A 20 10.140 -7.251 9.062 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.674 -7.421 9.124 1.00 0.00 H new ATOM 0 HB3 PHE A 20 12.757 -5.725 8.691 1.00 0.00 H new ATOM 0 HD1 PHE A 20 11.471 -8.102 11.263 1.00 0.00 H new ATOM 0 HD2 PHE A 20 12.350 -4.005 10.317 1.00 0.00 H new ATOM 0 HE1 PHE A 20 11.128 -7.480 13.639 1.00 0.00 H new ATOM 0 HE2 PHE A 20 12.014 -3.384 12.695 1.00 0.00 H new ATOM 0 HZ PHE A 20 11.399 -5.121 14.355 1.00 0.00 H new ATOM 311 N SER A 21 10.613 -4.378 7.502 1.00 0.00 N ATOM 312 CA SER A 21 10.031 -3.016 7.345 1.00 0.00 C ATOM 313 C SER A 21 10.887 -2.212 6.366 1.00 0.00 C ATOM 314 O SER A 21 11.623 -1.328 6.754 1.00 0.00 O ATOM 315 CB SER A 21 10.017 -2.312 8.700 1.00 0.00 C ATOM 316 OG SER A 21 9.995 -0.905 8.497 1.00 0.00 O ATOM 0 H SER A 21 11.387 -4.591 6.872 1.00 0.00 H new ATOM 0 HA SER A 21 9.013 -3.094 6.964 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.144 -2.622 9.275 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.897 -2.594 9.279 1.00 0.00 H new ATOM 0 HG SER A 21 10.879 -0.603 8.202 1.00 0.00 H new ATOM 322 N SER A 22 10.804 -2.513 5.098 1.00 0.00 N ATOM 323 CA SER A 22 11.623 -1.763 4.106 1.00 0.00 C ATOM 324 C SER A 22 10.933 -1.772 2.741 1.00 0.00 C ATOM 325 O SER A 22 10.768 -0.745 2.114 1.00 0.00 O ATOM 326 CB SER A 22 12.998 -2.419 3.985 1.00 0.00 C ATOM 327 OG SER A 22 12.979 -3.357 2.917 1.00 0.00 O ATOM 0 H SER A 22 10.207 -3.243 4.709 1.00 0.00 H new ATOM 0 HA SER A 22 11.734 -0.732 4.441 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.761 -1.661 3.805 1.00 0.00 H new ATOM 0 HB3 SER A 22 13.259 -2.918 4.918 1.00 0.00 H new ATOM 0 HG SER A 22 13.860 -3.778 2.836 1.00 0.00 H new ATOM 333 N TYR A 23 10.536 -2.921 2.265 1.00 0.00 N ATOM 334 CA TYR A 23 9.869 -2.977 0.933 1.00 0.00 C ATOM 335 C TYR A 23 8.623 -2.092 0.939 1.00 0.00 C ATOM 336 O TYR A 23 8.444 -1.243 0.085 1.00 0.00 O ATOM 337 CB TYR A 23 9.461 -4.418 0.625 1.00 0.00 C ATOM 338 CG TYR A 23 8.833 -4.477 -0.746 1.00 0.00 C ATOM 339 CD1 TYR A 23 9.634 -4.678 -1.876 1.00 0.00 C ATOM 340 CD2 TYR A 23 7.448 -4.326 -0.886 1.00 0.00 C ATOM 341 CE1 TYR A 23 9.050 -4.730 -3.147 1.00 0.00 C ATOM 342 CE2 TYR A 23 6.864 -4.377 -2.157 1.00 0.00 C ATOM 343 CZ TYR A 23 7.665 -4.580 -3.288 1.00 0.00 C ATOM 344 OH TYR A 23 7.089 -4.630 -4.540 1.00 0.00 O ATOM 0 H TYR A 23 10.644 -3.818 2.738 1.00 0.00 H new ATOM 0 HA TYR A 23 10.563 -2.621 0.172 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.332 -5.072 0.667 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.757 -4.777 1.376 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.702 -4.793 -1.767 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.831 -4.170 -0.014 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.668 -4.886 -4.019 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.796 -4.260 -2.266 1.00 0.00 H new ATOM 0 HH TYR A 23 6.120 -4.509 -4.459 1.00 0.00 H new ATOM 354 N CYS A 24 7.763 -2.272 1.901 1.00 0.00 N ATOM 355 CA CYS A 24 6.538 -1.430 1.959 1.00 0.00 C ATOM 356 C CYS A 24 6.947 0.012 2.239 1.00 0.00 C ATOM 357 O CYS A 24 6.464 0.940 1.622 1.00 0.00 O ATOM 358 CB CYS A 24 5.617 -1.928 3.073 1.00 0.00 C ATOM 359 SG CYS A 24 3.930 -1.348 2.762 1.00 0.00 S ATOM 0 H CYS A 24 7.855 -2.962 2.646 1.00 0.00 H new ATOM 0 HA CYS A 24 6.006 -1.489 1.009 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.637 -3.017 3.117 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.966 -1.564 4.039 1.00 0.00 H new ATOM 364 N ASN A 25 7.847 0.204 3.164 1.00 0.00 N ATOM 365 CA ASN A 25 8.300 1.582 3.482 1.00 0.00 C ATOM 366 C ASN A 25 8.870 2.213 2.214 1.00 0.00 C ATOM 367 O ASN A 25 8.686 3.386 1.952 1.00 0.00 O ATOM 368 CB ASN A 25 9.383 1.528 4.560 1.00 0.00 C ATOM 369 CG ASN A 25 8.821 0.840 5.804 1.00 0.00 C ATOM 370 OD1 ASN A 25 7.673 0.223 5.728 1.00 0.00 O flip ATOM 371 ND2 ASN A 25 9.436 0.851 6.852 1.00 0.00 N flip ATOM 0 H ASN A 25 8.287 -0.536 3.712 1.00 0.00 H new ATOM 0 HA ASN A 25 7.462 2.175 3.848 1.00 0.00 H new ATOM 0 HB2 ASN A 25 10.253 0.985 4.191 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.718 2.536 4.807 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.333 1.333 6.912 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.055 0.378 7.672 1.00 0.00 H new ATOM 378 N GLY A 26 9.551 1.438 1.415 1.00 0.00 N ATOM 379 CA GLY A 26 10.122 1.988 0.156 1.00 0.00 C ATOM 380 C GLY A 26 8.982 2.511 -0.718 1.00 0.00 C ATOM 381 O GLY A 26 9.076 3.566 -1.313 1.00 0.00 O ATOM 0 H GLY A 26 9.736 0.449 1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.824 2.791 0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.679 1.216 -0.374 1.00 0.00 H new ATOM 385 N VAL A 27 7.900 1.783 -0.794 1.00 0.00 N ATOM 386 CA VAL A 27 6.751 2.246 -1.623 1.00 0.00 C ATOM 387 C VAL A 27 6.203 3.549 -1.038 1.00 0.00 C ATOM 388 O VAL A 27 5.914 4.488 -1.750 1.00 0.00 O ATOM 389 CB VAL A 27 5.654 1.181 -1.617 1.00 0.00 C ATOM 390 CG1 VAL A 27 4.411 1.723 -2.327 1.00 0.00 C ATOM 391 CG2 VAL A 27 6.154 -0.068 -2.347 1.00 0.00 C ATOM 0 H VAL A 27 7.763 0.891 -0.319 1.00 0.00 H new ATOM 0 HA VAL A 27 7.082 2.415 -2.648 1.00 0.00 H new ATOM 0 HB VAL A 27 5.401 0.925 -0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.629 0.963 -2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.055 2.613 -1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.662 1.979 -3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.373 -0.828 -2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.406 0.188 -3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.039 -0.455 -1.842 1.00 0.00 H new ATOM 401 N CYS A 28 6.068 3.612 0.258 1.00 0.00 N ATOM 402 CA CYS A 28 5.548 4.857 0.893 1.00 0.00 C ATOM 403 C CYS A 28 6.529 6.003 0.642 1.00 0.00 C ATOM 404 O CYS A 28 6.146 7.154 0.564 1.00 0.00 O ATOM 405 CB CYS A 28 5.394 4.640 2.401 1.00 0.00 C ATOM 406 SG CYS A 28 3.948 3.597 2.725 1.00 0.00 S ATOM 0 H CYS A 28 6.295 2.856 0.905 1.00 0.00 H new ATOM 0 HA CYS A 28 4.578 5.105 0.462 1.00 0.00 H new ATOM 0 HB2 CYS A 28 6.291 4.170 2.804 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.283 5.599 2.906 1.00 0.00 H new ATOM 411 N THR A 29 7.793 5.700 0.522 1.00 0.00 N ATOM 412 CA THR A 29 8.796 6.776 0.286 1.00 0.00 C ATOM 413 C THR A 29 8.438 7.543 -0.987 1.00 0.00 C ATOM 414 O THR A 29 8.512 8.754 -1.034 1.00 0.00 O ATOM 415 CB THR A 29 10.185 6.155 0.131 1.00 0.00 C ATOM 416 OG1 THR A 29 10.455 5.316 1.245 1.00 0.00 O ATOM 417 CG2 THR A 29 11.236 7.265 0.060 1.00 0.00 C ATOM 0 H THR A 29 8.174 4.755 0.577 1.00 0.00 H new ATOM 0 HA THR A 29 8.795 7.461 1.134 1.00 0.00 H new ATOM 0 HB THR A 29 10.219 5.565 -0.785 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.805 4.583 1.267 1.00 0.00 H new ATOM 0 HG21 THR A 29 12.226 6.822 -0.050 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.029 7.908 -0.795 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.203 7.856 0.975 1.00 0.00 H new ATOM 425 N LYS A 30 8.051 6.850 -2.021 1.00 0.00 N ATOM 426 CA LYS A 30 7.691 7.550 -3.285 1.00 0.00 C ATOM 427 C LYS A 30 6.499 8.471 -3.019 1.00 0.00 C ATOM 428 O LYS A 30 6.477 9.615 -3.426 1.00 0.00 O ATOM 429 CB LYS A 30 7.308 6.520 -4.351 1.00 0.00 C ATOM 430 CG LYS A 30 8.428 5.486 -4.509 1.00 0.00 C ATOM 431 CD LYS A 30 9.704 6.169 -5.005 1.00 0.00 C ATOM 432 CE LYS A 30 10.663 5.111 -5.554 1.00 0.00 C ATOM 433 NZ LYS A 30 11.958 5.750 -5.920 1.00 0.00 N ATOM 0 H LYS A 30 7.969 5.834 -2.046 1.00 0.00 H new ATOM 0 HA LYS A 30 8.541 8.134 -3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.380 6.022 -4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.127 7.020 -5.303 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.617 4.993 -3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.123 4.712 -5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.463 6.896 -5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.177 6.717 -4.190 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.828 4.333 -4.808 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.225 4.627 -6.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.608 5.029 -6.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.794 6.476 -6.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.378 6.192 -5.077 1.00 0.00 H new ATOM 447 N ASN A 31 5.511 7.976 -2.329 1.00 0.00 N ATOM 448 CA ASN A 31 4.317 8.810 -2.017 1.00 0.00 C ATOM 449 C ASN A 31 4.725 9.947 -1.079 1.00 0.00 C ATOM 450 O ASN A 31 4.132 11.007 -1.077 1.00 0.00 O ATOM 451 CB ASN A 31 3.253 7.947 -1.339 1.00 0.00 C ATOM 452 CG ASN A 31 2.834 6.817 -2.281 1.00 0.00 C ATOM 453 OD1 ASN A 31 2.744 5.675 -1.877 1.00 0.00 O ATOM 454 ND2 ASN A 31 2.573 7.089 -3.530 1.00 0.00 N ATOM 0 H ASN A 31 5.479 7.024 -1.965 1.00 0.00 H new ATOM 0 HA ASN A 31 3.912 9.225 -2.940 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.644 7.533 -0.409 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.388 8.556 -1.078 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.293 6.343 -4.167 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.648 8.048 -3.870 1.00 0.00 H new ATOM 461 N GLY A 32 5.725 9.726 -0.271 1.00 0.00 N ATOM 462 CA GLY A 32 6.166 10.784 0.682 1.00 0.00 C ATOM 463 C GLY A 32 5.553 10.502 2.055 1.00 0.00 C ATOM 464 O GLY A 32 5.652 11.296 2.969 1.00 0.00 O ATOM 0 H GLY A 32 6.257 8.857 -0.229 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.254 10.799 0.751 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.855 11.766 0.325 1.00 0.00 H new ATOM 468 N ALA A 33 4.919 9.370 2.201 1.00 0.00 N ATOM 469 CA ALA A 33 4.293 9.021 3.508 1.00 0.00 C ATOM 470 C ALA A 33 5.387 8.738 4.540 1.00 0.00 C ATOM 471 O ALA A 33 6.561 8.735 4.231 1.00 0.00 O ATOM 472 CB ALA A 33 3.421 7.778 3.335 1.00 0.00 C ATOM 0 H ALA A 33 4.807 8.669 1.468 1.00 0.00 H new ATOM 0 HA ALA A 33 3.679 9.853 3.852 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.962 7.520 4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.642 7.980 2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.037 6.946 2.992 1.00 0.00 H new ATOM 478 N LYS A 34 5.010 8.505 5.769 1.00 0.00 N ATOM 479 CA LYS A 34 6.030 8.227 6.821 1.00 0.00 C ATOM 480 C LYS A 34 6.514 6.780 6.712 1.00 0.00 C ATOM 481 O LYS A 34 7.591 6.511 6.220 1.00 0.00 O ATOM 482 CB LYS A 34 5.402 8.431 8.201 1.00 0.00 C ATOM 483 CG LYS A 34 6.490 8.355 9.276 1.00 0.00 C ATOM 484 CD LYS A 34 5.875 7.881 10.595 1.00 0.00 C ATOM 485 CE LYS A 34 4.920 8.950 11.129 1.00 0.00 C ATOM 486 NZ LYS A 34 5.648 10.244 11.262 1.00 0.00 N ATOM 0 H LYS A 34 4.042 8.495 6.089 1.00 0.00 H new ATOM 0 HA LYS A 34 6.873 8.905 6.685 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.901 9.398 8.244 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.643 7.670 8.383 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.278 7.670 8.963 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.953 9.333 9.409 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.339 6.944 10.442 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.661 7.684 11.324 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.072 9.065 10.454 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.519 8.645 12.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.327 10.736 12.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.670 10.062 11.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.456 10.838 10.430 1.00 0.00 H new ATOM 500 N SER A 35 5.730 5.846 7.181 1.00 0.00 N ATOM 501 CA SER A 35 6.151 4.422 7.119 1.00 0.00 C ATOM 502 C SER A 35 4.942 3.529 6.843 1.00 0.00 C ATOM 503 O SER A 35 3.806 3.947 6.951 1.00 0.00 O ATOM 504 CB SER A 35 6.779 4.021 8.453 1.00 0.00 C ATOM 505 OG SER A 35 5.774 4.005 9.458 1.00 0.00 O ATOM 0 H SER A 35 4.817 6.011 7.604 1.00 0.00 H new ATOM 0 HA SER A 35 6.877 4.300 6.315 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.242 3.038 8.369 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.568 4.723 8.722 1.00 0.00 H new ATOM 0 HG SER A 35 6.173 3.746 10.315 1.00 0.00 H new ATOM 511 N GLY A 36 5.184 2.296 6.498 1.00 0.00 N ATOM 512 CA GLY A 36 4.061 1.357 6.224 1.00 0.00 C ATOM 513 C GLY A 36 4.428 -0.032 6.748 1.00 0.00 C ATOM 514 O GLY A 36 5.590 -0.370 6.864 1.00 0.00 O ATOM 0 H GLY A 36 6.116 1.896 6.393 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.149 1.711 6.705 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.860 1.314 5.154 1.00 0.00 H new ATOM 518 N TYR A 37 3.450 -0.838 7.068 1.00 0.00 N ATOM 519 CA TYR A 37 3.744 -2.207 7.588 1.00 0.00 C ATOM 520 C TYR A 37 3.076 -3.251 6.689 1.00 0.00 C ATOM 521 O TYR A 37 1.919 -3.127 6.334 1.00 0.00 O ATOM 522 CB TYR A 37 3.194 -2.334 9.010 1.00 0.00 C ATOM 523 CG TYR A 37 3.759 -1.229 9.871 1.00 0.00 C ATOM 524 CD1 TYR A 37 3.156 0.036 9.874 1.00 0.00 C ATOM 525 CD2 TYR A 37 4.886 -1.468 10.666 1.00 0.00 C ATOM 526 CE1 TYR A 37 3.680 1.060 10.671 1.00 0.00 C ATOM 527 CE2 TYR A 37 5.411 -0.444 11.464 1.00 0.00 C ATOM 528 CZ TYR A 37 4.808 0.820 11.467 1.00 0.00 C ATOM 529 OH TYR A 37 5.325 1.829 12.254 1.00 0.00 O ATOM 0 H TYR A 37 2.459 -0.608 6.992 1.00 0.00 H new ATOM 0 HA TYR A 37 4.821 -2.372 7.594 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.106 -2.278 8.996 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.458 -3.306 9.428 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.286 0.221 9.261 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.351 -2.443 10.664 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.215 2.035 10.673 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.281 -0.629 12.077 1.00 0.00 H new ATOM 0 HH TYR A 37 6.106 1.495 12.743 1.00 0.00 H new ATOM 539 N CYS A 38 3.793 -4.284 6.326 1.00 0.00 N ATOM 540 CA CYS A 38 3.198 -5.343 5.457 1.00 0.00 C ATOM 541 C CYS A 38 2.779 -6.528 6.325 1.00 0.00 C ATOM 542 O CYS A 38 3.586 -7.122 7.012 1.00 0.00 O ATOM 543 CB CYS A 38 4.234 -5.822 4.438 1.00 0.00 C ATOM 544 SG CYS A 38 3.954 -5.013 2.845 1.00 0.00 S ATOM 0 H CYS A 38 4.765 -4.440 6.594 1.00 0.00 H new ATOM 0 HA CYS A 38 2.334 -4.933 4.935 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.239 -5.599 4.797 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.169 -6.904 4.322 1.00 0.00 H new ATOM 549 N GLN A 39 1.526 -6.886 6.297 1.00 0.00 N ATOM 550 CA GLN A 39 1.070 -8.039 7.118 1.00 0.00 C ATOM 551 C GLN A 39 0.043 -8.856 6.331 1.00 0.00 C ATOM 552 O GLN A 39 0.219 -9.122 5.159 1.00 0.00 O ATOM 553 CB GLN A 39 0.458 -7.523 8.423 1.00 0.00 C ATOM 554 CG GLN A 39 1.544 -6.798 9.223 1.00 0.00 C ATOM 555 CD GLN A 39 1.003 -6.396 10.597 1.00 0.00 C ATOM 556 OE1 GLN A 39 -0.241 -6.646 10.895 1.00 0.00 O flip ATOM 557 NE2 GLN A 39 1.721 -5.848 11.408 1.00 0.00 N flip ATOM 0 H GLN A 39 0.801 -6.431 5.743 1.00 0.00 H new ATOM 0 HA GLN A 39 1.918 -8.681 7.355 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.370 -6.846 8.210 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.051 -8.351 9.003 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.413 -7.445 9.341 1.00 0.00 H new ATOM 0 HG3 GLN A 39 1.876 -5.913 8.681 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.695 -5.652 11.177 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.351 -5.584 12.321 1.00 0.00 H new ATOM 566 N ILE A 40 -1.022 -9.266 6.962 1.00 0.00 N ATOM 567 CA ILE A 40 -2.040 -10.077 6.237 1.00 0.00 C ATOM 568 C ILE A 40 -3.160 -9.173 5.727 1.00 0.00 C ATOM 569 O ILE A 40 -3.605 -8.268 6.405 1.00 0.00 O ATOM 570 CB ILE A 40 -2.636 -11.118 7.182 1.00 0.00 C ATOM 571 CG1 ILE A 40 -1.510 -11.955 7.796 1.00 0.00 C ATOM 572 CG2 ILE A 40 -3.586 -12.032 6.405 1.00 0.00 C ATOM 573 CD1 ILE A 40 -2.085 -12.876 8.874 1.00 0.00 C ATOM 0 H ILE A 40 -1.231 -9.076 7.942 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.559 -10.574 5.394 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.188 -10.613 7.975 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.019 -12.546 7.023 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.752 -11.302 8.228 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.011 -12.774 7.081 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.389 -11.437 5.969 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.037 -12.537 5.610 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.283 -13.471 9.310 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.556 -12.275 9.652 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.827 -13.539 8.429 1.00 0.00 H new ATOM 585 N LEU A 41 -3.624 -9.424 4.537 1.00 0.00 N ATOM 586 CA LEU A 41 -4.722 -8.599 3.967 1.00 0.00 C ATOM 587 C LEU A 41 -5.913 -8.628 4.926 1.00 0.00 C ATOM 588 O LEU A 41 -6.611 -7.650 5.106 1.00 0.00 O ATOM 589 CB LEU A 41 -5.136 -9.201 2.625 1.00 0.00 C ATOM 590 CG LEU A 41 -6.081 -8.244 1.897 1.00 0.00 C ATOM 591 CD1 LEU A 41 -5.267 -7.269 1.043 1.00 0.00 C ATOM 592 CD2 LEU A 41 -7.024 -9.044 0.996 1.00 0.00 C ATOM 0 H LEU A 41 -3.287 -10.171 3.930 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.391 -7.570 3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.254 -9.391 2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.627 -10.161 2.783 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.664 -7.685 2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.942 -6.588 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.596 -6.697 1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.683 -7.827 0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.697 -8.362 0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.441 -9.604 0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.606 -9.737 1.603 1.00 0.00 H new ATOM 604 N GLY A 42 -6.146 -9.755 5.538 1.00 0.00 N ATOM 605 CA GLY A 42 -7.285 -9.886 6.488 1.00 0.00 C ATOM 606 C GLY A 42 -7.629 -11.367 6.614 1.00 0.00 C ATOM 607 O GLY A 42 -7.399 -11.988 7.633 1.00 0.00 O ATOM 0 H GLY A 42 -5.589 -10.601 5.419 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.019 -9.473 7.461 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.147 -9.324 6.128 1.00 0.00 H new ATOM 611 N THR A 43 -8.156 -11.941 5.570 1.00 0.00 N ATOM 612 CA THR A 43 -8.493 -13.387 5.599 1.00 0.00 C ATOM 613 C THR A 43 -7.456 -14.139 4.764 1.00 0.00 C ATOM 614 O THR A 43 -6.703 -14.951 5.268 1.00 0.00 O ATOM 615 CB THR A 43 -9.888 -13.605 5.009 1.00 0.00 C ATOM 616 OG1 THR A 43 -9.899 -13.182 3.653 1.00 0.00 O ATOM 617 CG2 THR A 43 -10.912 -12.794 5.805 1.00 0.00 C ATOM 0 H THR A 43 -8.368 -11.466 4.693 1.00 0.00 H new ATOM 0 HA THR A 43 -8.486 -13.753 6.626 1.00 0.00 H new ATOM 0 HB THR A 43 -10.144 -14.663 5.062 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.792 -13.323 3.274 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.906 -12.949 5.384 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.904 -13.118 6.846 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.658 -11.735 5.753 1.00 0.00 H new ATOM 625 N TYR A 44 -7.408 -13.859 3.491 1.00 0.00 N ATOM 626 CA TYR A 44 -6.419 -14.532 2.602 1.00 0.00 C ATOM 627 C TYR A 44 -5.623 -13.469 1.838 1.00 0.00 C ATOM 628 O TYR A 44 -6.127 -12.408 1.530 1.00 0.00 O ATOM 629 CB TYR A 44 -7.153 -15.434 1.608 1.00 0.00 C ATOM 630 CG TYR A 44 -7.930 -16.488 2.361 1.00 0.00 C ATOM 631 CD1 TYR A 44 -7.287 -17.654 2.792 1.00 0.00 C ATOM 632 CD2 TYR A 44 -9.291 -16.299 2.626 1.00 0.00 C ATOM 633 CE1 TYR A 44 -8.006 -18.632 3.490 1.00 0.00 C ATOM 634 CE2 TYR A 44 -10.010 -17.278 3.322 1.00 0.00 C ATOM 635 CZ TYR A 44 -9.368 -18.444 3.755 1.00 0.00 C ATOM 636 OH TYR A 44 -10.077 -19.408 4.441 1.00 0.00 O ATOM 0 H TYR A 44 -8.017 -13.187 3.024 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.740 -15.137 3.203 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -7.828 -14.840 0.992 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.439 -15.906 0.934 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.237 -17.799 2.586 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -9.786 -15.399 2.294 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.510 -19.531 3.824 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -11.061 -17.133 3.525 1.00 0.00 H new ATOM 0 HH TYR A 44 -11.008 -19.120 4.541 1.00 0.00 H new ATOM 646 N GLY A 45 -4.385 -13.745 1.524 1.00 0.00 N ATOM 647 CA GLY A 45 -3.566 -12.748 0.774 1.00 0.00 C ATOM 648 C GLY A 45 -2.780 -11.869 1.753 1.00 0.00 C ATOM 649 O GLY A 45 -2.848 -12.044 2.953 1.00 0.00 O ATOM 0 H GLY A 45 -3.906 -14.616 1.754 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.879 -13.262 0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.213 -12.127 0.154 1.00 0.00 H new ATOM 653 N ASN A 46 -2.029 -10.927 1.241 1.00 0.00 N ATOM 654 CA ASN A 46 -1.228 -10.033 2.117 1.00 0.00 C ATOM 655 C ASN A 46 -1.611 -8.575 1.853 1.00 0.00 C ATOM 656 O ASN A 46 -2.011 -8.218 0.763 1.00 0.00 O ATOM 657 CB ASN A 46 0.253 -10.233 1.810 1.00 0.00 C ATOM 658 CG ASN A 46 0.697 -11.610 2.306 1.00 0.00 C ATOM 659 OD1 ASN A 46 1.325 -12.356 1.582 1.00 0.00 O ATOM 660 ND2 ASN A 46 0.397 -11.980 3.521 1.00 0.00 N ATOM 0 H ASN A 46 -1.939 -10.741 0.242 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.425 -10.272 3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.427 -10.148 0.737 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.843 -9.454 2.292 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.690 -12.895 3.862 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.130 -11.354 4.129 1.00 0.00 H new ATOM 667 N GLY A 47 -1.490 -7.731 2.840 1.00 0.00 N ATOM 668 CA GLY A 47 -1.844 -6.296 2.639 1.00 0.00 C ATOM 669 C GLY A 47 -0.843 -5.406 3.376 1.00 0.00 C ATOM 670 O GLY A 47 -0.134 -5.848 4.257 1.00 0.00 O ATOM 0 H GLY A 47 -1.162 -7.971 3.776 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.842 -6.057 1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.852 -6.106 3.007 1.00 0.00 H new ATOM 674 N CYS A 48 -0.792 -4.149 3.030 1.00 0.00 N ATOM 675 CA CYS A 48 0.153 -3.226 3.717 1.00 0.00 C ATOM 676 C CYS A 48 -0.521 -1.874 3.947 1.00 0.00 C ATOM 677 O CYS A 48 -1.164 -1.337 3.067 1.00 0.00 O ATOM 678 CB CYS A 48 1.398 -3.019 2.855 1.00 0.00 C ATOM 679 SG CYS A 48 2.781 -2.537 3.919 1.00 0.00 S ATOM 0 H CYS A 48 -1.364 -3.722 2.301 1.00 0.00 H new ATOM 0 HA CYS A 48 0.439 -3.664 4.674 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.639 -3.936 2.317 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.213 -2.249 2.106 1.00 0.00 H new ATOM 684 N TRP A 49 -0.365 -1.310 5.115 1.00 0.00 N ATOM 685 CA TRP A 49 -0.984 0.017 5.387 1.00 0.00 C ATOM 686 C TRP A 49 0.107 1.083 5.419 1.00 0.00 C ATOM 687 O TRP A 49 1.134 0.914 6.045 1.00 0.00 O ATOM 688 CB TRP A 49 -1.716 0.004 6.733 1.00 0.00 C ATOM 689 CG TRP A 49 -1.381 -1.239 7.483 1.00 0.00 C ATOM 690 CD1 TRP A 49 -0.202 -1.471 8.092 1.00 0.00 C ATOM 691 CD2 TRP A 49 -2.209 -2.410 7.726 1.00 0.00 C ATOM 692 NE1 TRP A 49 -0.244 -2.718 8.688 1.00 0.00 N ATOM 693 CE2 TRP A 49 -1.463 -3.336 8.491 1.00 0.00 C ATOM 694 CE3 TRP A 49 -3.522 -2.761 7.359 1.00 0.00 C ATOM 695 CZ2 TRP A 49 -1.998 -4.564 8.877 1.00 0.00 C ATOM 696 CZ3 TRP A 49 -4.063 -3.997 7.748 1.00 0.00 C ATOM 697 CH2 TRP A 49 -3.302 -4.897 8.505 1.00 0.00 C ATOM 0 H TRP A 49 0.163 -1.711 5.890 1.00 0.00 H new ATOM 0 HA TRP A 49 -1.703 0.238 4.598 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -1.434 0.879 7.318 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -2.792 0.062 6.572 1.00 0.00 H new ATOM 0 HD1 TRP A 49 0.639 -0.794 8.112 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.530 -3.130 9.209 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.117 -2.075 6.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -1.407 -5.254 9.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.072 -4.255 7.462 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -3.723 -5.847 8.800 1.00 0.00 H new ATOM 708 N CYS A 50 -0.114 2.186 4.762 1.00 0.00 N ATOM 709 CA CYS A 50 0.904 3.271 4.770 1.00 0.00 C ATOM 710 C CYS A 50 0.457 4.315 5.787 1.00 0.00 C ATOM 711 O CYS A 50 -0.654 4.801 5.734 1.00 0.00 O ATOM 712 CB CYS A 50 1.006 3.908 3.381 1.00 0.00 C ATOM 713 SG CYS A 50 2.514 4.907 3.281 1.00 0.00 S ATOM 0 H CYS A 50 -0.955 2.383 4.220 1.00 0.00 H new ATOM 0 HA CYS A 50 1.883 2.872 5.034 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.019 3.133 2.614 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.132 4.530 3.190 1.00 0.00 H new ATOM 718 N ILE A 51 1.299 4.645 6.725 1.00 0.00 N ATOM 719 CA ILE A 51 0.904 5.635 7.762 1.00 0.00 C ATOM 720 C ILE A 51 1.478 7.006 7.403 1.00 0.00 C ATOM 721 O ILE A 51 2.645 7.137 7.088 1.00 0.00 O ATOM 722 CB ILE A 51 1.464 5.184 9.112 1.00 0.00 C ATOM 723 CG1 ILE A 51 1.157 3.699 9.324 1.00 0.00 C ATOM 724 CG2 ILE A 51 0.811 5.992 10.232 1.00 0.00 C ATOM 725 CD1 ILE A 51 -0.320 3.432 9.029 1.00 0.00 C ATOM 0 H ILE A 51 2.244 4.272 6.818 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.183 5.704 7.815 1.00 0.00 H new ATOM 0 HB ILE A 51 2.542 5.342 9.124 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.784 3.091 8.672 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.391 3.412 10.349 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.211 5.670 11.194 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.023 7.051 10.087 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.267 5.832 10.215 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.536 2.374 9.181 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.939 4.028 9.700 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.539 3.703 7.996 1.00 0.00 H new ATOM 737 N ALA A 52 0.667 8.028 7.443 1.00 0.00 N ATOM 738 CA ALA A 52 1.174 9.386 7.096 1.00 0.00 C ATOM 739 C ALA A 52 0.120 10.443 7.438 1.00 0.00 C ATOM 740 O ALA A 52 -0.068 10.795 8.586 1.00 0.00 O ATOM 741 CB ALA A 52 1.487 9.442 5.601 1.00 0.00 C ATOM 0 H ALA A 52 -0.319 7.982 7.699 1.00 0.00 H new ATOM 0 HA ALA A 52 2.079 9.588 7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.858 10.434 5.344 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.245 8.697 5.360 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.581 9.235 5.032 1.00 0.00 H new ATOM 747 N LEU A 53 -0.555 10.965 6.446 1.00 0.00 N ATOM 748 CA LEU A 53 -1.583 12.017 6.703 1.00 0.00 C ATOM 749 C LEU A 53 -2.959 11.553 6.198 1.00 0.00 C ATOM 750 O LEU A 53 -3.281 11.723 5.039 1.00 0.00 O ATOM 751 CB LEU A 53 -1.183 13.290 5.953 1.00 0.00 C ATOM 752 CG LEU A 53 -2.234 14.376 6.192 1.00 0.00 C ATOM 753 CD1 LEU A 53 -1.566 15.608 6.803 1.00 0.00 C ATOM 754 CD2 LEU A 53 -2.882 14.758 4.860 1.00 0.00 C ATOM 0 H LEU A 53 -0.438 10.707 5.466 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.642 12.206 7.775 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.206 13.633 6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.094 13.084 4.886 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.996 14.000 6.875 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.315 16.381 6.973 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.102 15.338 7.751 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.804 15.985 6.121 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.631 15.532 5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.119 15.134 4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.358 13.881 4.422 1.00 0.00 H new ATOM 766 N PRO A 54 -3.774 10.980 7.054 1.00 0.00 N ATOM 767 CA PRO A 54 -5.131 10.508 6.663 1.00 0.00 C ATOM 768 C PRO A 54 -6.132 11.664 6.544 1.00 0.00 C ATOM 769 O PRO A 54 -7.244 11.488 6.089 1.00 0.00 O ATOM 770 CB PRO A 54 -5.541 9.562 7.791 1.00 0.00 C ATOM 771 CG PRO A 54 -4.716 9.944 8.980 1.00 0.00 C ATOM 772 CD PRO A 54 -3.493 10.718 8.475 1.00 0.00 C ATOM 0 HA PRO A 54 -5.121 10.029 5.684 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.605 9.655 8.010 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.363 8.524 7.512 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.299 10.557 9.668 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.405 9.056 9.530 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.356 11.647 9.029 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.579 10.137 8.597 1.00 0.00 H new ATOM 780 N ASP A 55 -5.747 12.840 6.959 1.00 0.00 N ATOM 781 CA ASP A 55 -6.676 14.006 6.879 1.00 0.00 C ATOM 782 C ASP A 55 -7.151 14.197 5.436 1.00 0.00 C ATOM 783 O ASP A 55 -8.279 14.575 5.193 1.00 0.00 O ATOM 784 CB ASP A 55 -5.949 15.269 7.346 1.00 0.00 C ATOM 785 CG ASP A 55 -5.644 15.161 8.840 1.00 0.00 C ATOM 786 OD1 ASP A 55 -6.207 14.288 9.479 1.00 0.00 O ATOM 787 OD2 ASP A 55 -4.851 15.954 9.321 1.00 0.00 O ATOM 0 H ASP A 55 -4.828 13.045 7.351 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.539 13.821 7.519 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.024 15.397 6.784 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.564 16.148 7.153 1.00 0.00 H new ATOM 792 N ASN A 56 -6.302 13.947 4.479 1.00 0.00 N ATOM 793 CA ASN A 56 -6.712 14.126 3.057 1.00 0.00 C ATOM 794 C ASN A 56 -7.546 12.930 2.601 1.00 0.00 C ATOM 795 O ASN A 56 -7.283 11.803 2.969 1.00 0.00 O ATOM 796 CB ASN A 56 -5.465 14.244 2.176 1.00 0.00 C ATOM 797 CG ASN A 56 -4.700 15.517 2.543 1.00 0.00 C ATOM 798 OD1 ASN A 56 -5.165 16.294 3.483 1.00 0.00 O flip ATOM 799 ND2 ASN A 56 -3.671 15.809 1.969 1.00 0.00 N flip ATOM 0 H ASN A 56 -5.344 13.627 4.619 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.309 15.034 2.969 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.826 13.371 2.312 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.751 14.269 1.124 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.307 15.202 1.234 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.170 16.661 2.221 1.00 0.00 H new ATOM 806 N VAL A 57 -8.551 13.173 1.800 1.00 0.00 N ATOM 807 CA VAL A 57 -9.415 12.061 1.309 1.00 0.00 C ATOM 808 C VAL A 57 -8.539 10.842 0.986 1.00 0.00 C ATOM 809 O VAL A 57 -7.884 10.806 -0.038 1.00 0.00 O ATOM 810 CB VAL A 57 -10.137 12.514 0.039 1.00 0.00 C ATOM 811 CG1 VAL A 57 -9.111 12.826 -1.050 1.00 0.00 C ATOM 812 CG2 VAL A 57 -11.068 11.398 -0.441 1.00 0.00 C ATOM 0 H VAL A 57 -8.811 14.100 1.464 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.144 11.794 2.074 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.721 13.410 0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.627 13.149 -1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.447 13.620 -0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.526 11.932 -1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.584 11.719 -1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.483 10.503 -0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.801 11.177 0.335 1.00 0.00 H new ATOM 822 N PRO A 58 -8.512 9.851 1.848 1.00 0.00 N ATOM 823 CA PRO A 58 -7.695 8.633 1.642 1.00 0.00 C ATOM 824 C PRO A 58 -8.472 7.544 0.903 1.00 0.00 C ATOM 825 O PRO A 58 -9.688 7.545 0.881 1.00 0.00 O ATOM 826 CB PRO A 58 -7.395 8.200 3.068 1.00 0.00 C ATOM 827 CG PRO A 58 -8.631 8.552 3.829 1.00 0.00 C ATOM 828 CD PRO A 58 -9.254 9.763 3.119 1.00 0.00 C ATOM 0 HA PRO A 58 -6.809 8.813 1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.185 7.132 3.123 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.522 8.718 3.466 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.327 7.713 3.847 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.393 8.791 4.866 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.321 9.621 2.949 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.144 10.672 3.710 1.00 0.00 H new ATOM 836 N ILE A 59 -7.784 6.615 0.304 1.00 0.00 N ATOM 837 CA ILE A 59 -8.479 5.524 -0.432 1.00 0.00 C ATOM 838 C ILE A 59 -9.684 6.082 -1.189 1.00 0.00 C ATOM 839 O ILE A 59 -10.810 5.684 -0.963 1.00 0.00 O ATOM 840 CB ILE A 59 -8.947 4.451 0.552 1.00 0.00 C ATOM 841 CG1 ILE A 59 -7.726 3.740 1.140 1.00 0.00 C ATOM 842 CG2 ILE A 59 -9.825 3.434 -0.179 1.00 0.00 C ATOM 843 CD1 ILE A 59 -8.172 2.771 2.237 1.00 0.00 C ATOM 0 H ILE A 59 -6.765 6.564 0.292 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.782 5.084 -1.146 1.00 0.00 H new ATOM 0 HB ILE A 59 -9.522 4.916 1.353 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.196 3.198 0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.029 4.472 1.549 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.158 2.670 0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.692 3.940 -0.603 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.251 2.966 -0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.300 2.267 2.653 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.682 3.324 3.026 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.852 2.031 1.815 1.00 0.00 H new ATOM 855 N ARG A 60 -9.457 6.992 -2.094 1.00 0.00 N ATOM 856 CA ARG A 60 -10.590 7.561 -2.874 1.00 0.00 C ATOM 857 C ARG A 60 -11.392 6.402 -3.452 1.00 0.00 C ATOM 858 O ARG A 60 -12.598 6.459 -3.589 1.00 0.00 O ATOM 859 CB ARG A 60 -10.035 8.387 -4.033 1.00 0.00 C ATOM 860 CG ARG A 60 -9.106 9.471 -3.498 1.00 0.00 C ATOM 861 CD ARG A 60 -8.349 10.098 -4.668 1.00 0.00 C ATOM 862 NE ARG A 60 -9.289 10.900 -5.500 1.00 0.00 N ATOM 863 CZ ARG A 60 -8.990 11.178 -6.739 1.00 0.00 C ATOM 864 NH1 ARG A 60 -7.867 10.751 -7.251 1.00 0.00 N ATOM 865 NH2 ARG A 60 -9.813 11.881 -7.469 1.00 0.00 N ATOM 0 H ARG A 60 -8.537 7.366 -2.327 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.212 8.188 -2.235 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.494 7.741 -4.725 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -10.853 8.840 -4.593 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.680 10.232 -2.970 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.405 9.045 -2.780 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.545 10.733 -4.296 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.886 9.319 -5.274 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.167 11.232 -5.101 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.224 10.200 -6.682 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.633 10.968 -8.220 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.691 12.214 -7.071 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.578 12.098 -8.438 1.00 0.00 H new ATOM 879 N ILE A 61 -10.706 5.353 -3.800 1.00 0.00 N ATOM 880 CA ILE A 61 -11.372 4.163 -4.383 1.00 0.00 C ATOM 881 C ILE A 61 -12.378 3.584 -3.371 1.00 0.00 C ATOM 882 O ILE A 61 -12.036 3.371 -2.224 1.00 0.00 O ATOM 883 CB ILE A 61 -10.293 3.124 -4.679 1.00 0.00 C ATOM 884 CG1 ILE A 61 -9.714 3.368 -6.073 1.00 0.00 C ATOM 885 CG2 ILE A 61 -10.892 1.718 -4.610 1.00 0.00 C ATOM 886 CD1 ILE A 61 -9.305 4.837 -6.212 1.00 0.00 C ATOM 0 H ILE A 61 -9.694 5.270 -3.703 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.906 4.433 -5.294 1.00 0.00 H new ATOM 0 HB ILE A 61 -9.499 3.211 -3.937 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -8.851 2.723 -6.237 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -10.452 3.112 -6.834 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -10.117 0.982 -4.822 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -11.296 1.543 -3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.691 1.626 -5.346 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.893 5.007 -7.207 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -10.178 5.473 -6.067 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.552 5.078 -5.461 1.00 0.00 H new ATOM 898 N PRO A 62 -13.603 3.319 -3.774 1.00 0.00 N ATOM 899 CA PRO A 62 -14.628 2.746 -2.854 1.00 0.00 C ATOM 900 C PRO A 62 -14.088 1.546 -2.072 1.00 0.00 C ATOM 901 O PRO A 62 -14.558 1.231 -0.997 1.00 0.00 O ATOM 902 CB PRO A 62 -15.753 2.293 -3.785 1.00 0.00 C ATOM 903 CG PRO A 62 -15.615 3.110 -5.025 1.00 0.00 C ATOM 904 CD PRO A 62 -14.150 3.537 -5.128 1.00 0.00 C ATOM 0 HA PRO A 62 -14.946 3.473 -2.107 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -15.671 1.229 -4.008 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -16.728 2.447 -3.323 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -15.909 2.532 -5.901 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -16.268 3.982 -4.985 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -13.616 2.945 -5.871 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -14.061 4.581 -5.428 1.00 0.00 H new ATOM 912 N GLY A 63 -13.106 0.875 -2.606 1.00 0.00 N ATOM 913 CA GLY A 63 -12.535 -0.304 -1.901 1.00 0.00 C ATOM 914 C GLY A 63 -12.270 -1.422 -2.910 1.00 0.00 C ATOM 915 O GLY A 63 -11.855 -2.507 -2.555 1.00 0.00 O ATOM 0 H GLY A 63 -12.673 1.094 -3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.609 -0.027 -1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.225 -0.650 -1.131 1.00 0.00 H new ATOM 919 N LYS A 64 -12.498 -1.161 -4.170 1.00 0.00 N ATOM 920 CA LYS A 64 -12.255 -2.197 -5.206 1.00 0.00 C ATOM 921 C LYS A 64 -10.991 -1.837 -5.983 1.00 0.00 C ATOM 922 O LYS A 64 -10.834 -0.730 -6.456 1.00 0.00 O ATOM 923 CB LYS A 64 -13.448 -2.253 -6.166 1.00 0.00 C ATOM 924 CG LYS A 64 -14.720 -2.604 -5.388 1.00 0.00 C ATOM 925 CD LYS A 64 -14.679 -4.075 -4.954 1.00 0.00 C ATOM 926 CE LYS A 64 -14.636 -4.160 -3.427 1.00 0.00 C ATOM 927 NZ LYS A 64 -14.812 -5.578 -3.003 1.00 0.00 N ATOM 0 H LYS A 64 -12.844 -0.269 -4.524 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.131 -3.170 -4.731 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -13.570 -1.293 -6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.268 -2.997 -6.942 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.811 -1.960 -4.513 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -15.598 -2.423 -6.009 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.556 -4.601 -5.333 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.804 -4.566 -5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.686 -3.774 -3.057 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.422 -3.540 -2.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.783 -5.636 -1.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.729 -5.931 -3.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.047 -6.158 -3.404 1.00 0.00 H new ATOM 941 N CYS A 65 -10.091 -2.765 -6.121 1.00 0.00 N ATOM 942 CA CYS A 65 -8.838 -2.480 -6.870 1.00 0.00 C ATOM 943 C CYS A 65 -9.181 -2.048 -8.297 1.00 0.00 C ATOM 944 O CYS A 65 -8.452 -1.305 -8.923 1.00 0.00 O ATOM 945 CB CYS A 65 -7.988 -3.747 -6.908 1.00 0.00 C ATOM 946 SG CYS A 65 -7.398 -4.128 -5.239 1.00 0.00 S ATOM 0 H CYS A 65 -10.168 -3.711 -5.747 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.286 -1.679 -6.378 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -8.574 -4.580 -7.297 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -7.142 -3.610 -7.582 1.00 0.00 H new ATOM 951 N HIS A 66 -10.287 -2.508 -8.814 1.00 0.00 N ATOM 952 CA HIS A 66 -10.680 -2.124 -10.199 1.00 0.00 C ATOM 953 C HIS A 66 -12.192 -2.290 -10.365 1.00 0.00 C ATOM 954 O HIS A 66 -12.610 -3.364 -10.765 1.00 0.00 O ATOM 955 CB HIS A 66 -9.956 -3.024 -11.202 1.00 0.00 C ATOM 956 CG HIS A 66 -8.471 -2.847 -11.048 1.00 0.00 C ATOM 957 ND1 HIS A 66 -7.808 -1.724 -11.522 1.00 0.00 N ATOM 958 CD2 HIS A 66 -7.505 -3.638 -10.475 1.00 0.00 C ATOM 959 CE1 HIS A 66 -6.502 -1.869 -11.228 1.00 0.00 C ATOM 960 NE2 HIS A 66 -6.268 -3.017 -10.590 1.00 0.00 N ATOM 961 OXT HIS A 66 -12.907 -1.341 -10.088 1.00 0.00 O ATOM 0 H HIS A 66 -10.936 -3.134 -8.337 1.00 0.00 H new ATOM 0 HA HIS A 66 -10.406 -1.084 -10.379 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.229 -4.066 -11.036 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -10.260 -2.773 -12.218 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.680 -4.595 -10.007 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.739 -1.146 -11.478 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.369 -3.366 -10.257 1.00 0.00 H new TER 970 HIS A 66