USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 672 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 71 THR OG1 : rot 180:sc= 0.334 USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 74 HIS : no HE2:sc= -0.131 K(o=0.2,f=-2.7) USER MOD Set 2.1: A 59 ASN : amide:sc= 0.817 K(o=3,f=-2.4) USER MOD Set 2.2: A 62 LYS NZ :NH3+ -163:sc= 2.21 (180deg=1.05) USER MOD Set 3.1: A 54 THR OG1 : rot 180:sc= 0.525 USER MOD Set 3.2: A 57 GLN : amide:sc= 0.129 K(o=0.65,f=-0.19) USER MOD Set 4.1: A 8 ASN : amide:sc= 1.5 K(o=2.7,f=-6.1!) USER MOD Set 4.2: A 83 LYS NZ :NH3+ -166:sc= 1.19 (180deg=0) USER MOD Set 5.1: A 3 THR OG1 : rot 142:sc= 0.634 USER MOD Set 5.2: A 82 LYS NZ :NH3+ 178:sc= 2.04 (180deg=1.27) USER MOD Set 6.1: A 2 GLN : amide:sc= 1.69 K(o=4,f=-4!) USER MOD Set 6.2: A 14 THR OG1 : rot -90:sc= 0.189 USER MOD Set 6.3: A 77 LYS NZ :NH3+ 150:sc= 0.942 (180deg=0) USER MOD Set 6.4: A 79 THR OG1 : rot 47:sc= 1.15 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.846 K(o=0.85,f=-0.064) USER MOD Single : A 9 GLN : amide:sc= 0.881 K(o=0.88,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.769 K(o=0.77,f=-0.41) USER MOD Single : A 20 THR OG1 : rot 95:sc= 1.05 USER MOD Single : A 21 ASN : amide:sc= -0.0843 K(o=-0.084,f=-2!) USER MOD Single : A 23 MET CE :methyl -136:sc= 0 (180deg=-0.171) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 90:sc= 1.25 USER MOD Single : A 27 MET CE :methyl 172:sc= 0 (180deg=-0.0877) USER MOD Single : A 30 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.12) USER MOD Single : A 31 GLN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -128:sc= 1.21 (180deg=0.514) USER MOD Single : A 43 ASN : amide:sc=-0.00585 X(o=-0.0058,f=-0.35) USER MOD Single : A 45 HIS : no HE2:sc= 0.996 K(o=1,f=-3.3!) USER MOD Single : A 53 THR OG1 : rot 78:sc= 0.0681 USER MOD Single : A 58 SER OG : rot 149:sc= 1.08 USER MOD Single : A 66 GLN : amide:sc= 0.373 K(o=0.37,f=-3.2!) USER MOD Single : A 69 LYS NZ :NH3+ -161:sc= 1.21 (180deg=0.712) USER MOD Single : A 76 MET CE :methyl -122:sc= -0.141 (180deg=-1.14) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.609 -6.896 -1.850 1.00 0.00 N ATOM 2 CA ALA A 1 4.438 -5.459 -1.539 1.00 0.00 C ATOM 3 C ALA A 1 5.720 -4.907 -0.914 1.00 0.00 C ATOM 4 O ALA A 1 6.271 -5.508 0.014 1.00 0.00 O ATOM 5 CB ALA A 1 3.230 -5.211 -0.617 1.00 0.00 C ATOM 0 H1 ALA A 1 3.735 -7.266 -2.275 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.396 -7.015 -2.519 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.817 -7.418 -0.975 1.00 0.00 H new ATOM 0 HA ALA A 1 4.240 -4.933 -2.473 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.141 -4.144 -0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.322 -5.565 -1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.372 -5.748 0.321 1.00 0.00 H new ATOM 13 N GLN A 2 6.213 -3.771 -1.423 1.00 0.00 N ATOM 14 CA GLN A 2 7.405 -3.102 -0.899 1.00 0.00 C ATOM 15 C GLN A 2 7.202 -2.759 0.584 1.00 0.00 C ATOM 16 O GLN A 2 6.198 -2.147 0.958 1.00 0.00 O ATOM 17 CB GLN A 2 7.773 -1.889 -1.778 1.00 0.00 C ATOM 18 CG GLN A 2 6.695 -0.794 -1.906 1.00 0.00 C ATOM 19 CD GLN A 2 6.925 0.080 -3.134 1.00 0.00 C ATOM 20 OE1 GLN A 2 6.129 0.049 -4.069 1.00 0.00 O ATOM 21 NE2 GLN A 2 7.999 0.847 -3.194 1.00 0.00 N ATOM 0 H GLN A 2 5.791 -3.288 -2.216 1.00 0.00 H new ATOM 0 HA GLN A 2 8.263 -3.772 -0.945 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.678 -1.435 -1.375 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.016 -2.250 -2.777 1.00 0.00 H new ATOM 0 HG2 GLN A 2 5.710 -1.258 -1.968 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.699 -0.172 -1.011 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.655 0.867 -2.414 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.172 1.419 -4.021 1.00 0.00 H new ATOM 30 N THR A 3 8.128 -3.208 1.430 1.00 0.00 N ATOM 31 CA THR A 3 8.070 -3.068 2.879 1.00 0.00 C ATOM 32 C THR A 3 8.333 -1.614 3.292 1.00 0.00 C ATOM 33 O THR A 3 8.950 -0.849 2.547 1.00 0.00 O ATOM 34 CB THR A 3 9.089 -4.055 3.491 1.00 0.00 C ATOM 35 OG1 THR A 3 10.291 -4.073 2.729 1.00 0.00 O ATOM 36 CG2 THR A 3 8.524 -5.478 3.494 1.00 0.00 C ATOM 0 H THR A 3 8.966 -3.695 1.112 1.00 0.00 H new ATOM 0 HA THR A 3 7.076 -3.311 3.255 1.00 0.00 H new ATOM 0 HB THR A 3 9.291 -3.723 4.509 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.060 -4.151 3.332 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.256 -6.159 3.929 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.608 -5.505 4.084 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.305 -5.785 2.471 1.00 0.00 H new ATOM 44 N GLU A 4 7.949 -1.242 4.513 1.00 0.00 N ATOM 45 CA GLU A 4 8.152 0.091 5.075 1.00 0.00 C ATOM 46 C GLU A 4 8.823 -0.061 6.443 1.00 0.00 C ATOM 47 O GLU A 4 8.786 -1.139 7.042 1.00 0.00 O ATOM 48 CB GLU A 4 6.807 0.831 5.183 1.00 0.00 C ATOM 49 CG GLU A 4 6.208 1.172 3.811 1.00 0.00 C ATOM 50 CD GLU A 4 4.887 1.949 3.950 1.00 0.00 C ATOM 51 OE1 GLU A 4 4.911 3.200 3.995 1.00 0.00 O ATOM 52 OE2 GLU A 4 3.805 1.320 4.004 1.00 0.00 O ATOM 0 H GLU A 4 7.475 -1.878 5.155 1.00 0.00 H new ATOM 0 HA GLU A 4 8.796 0.686 4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.101 0.215 5.740 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.947 1.750 5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.921 1.765 3.238 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.034 0.254 3.250 1.00 0.00 H new ATOM 59 N GLN A 5 9.458 1.010 6.922 1.00 0.00 N ATOM 60 CA GLN A 5 10.222 1.086 8.166 1.00 0.00 C ATOM 61 C GLN A 5 10.178 2.539 8.668 1.00 0.00 C ATOM 62 O GLN A 5 9.845 3.438 7.885 1.00 0.00 O ATOM 63 CB GLN A 5 11.696 0.711 7.892 1.00 0.00 C ATOM 64 CG GLN A 5 11.985 -0.784 7.710 1.00 0.00 C ATOM 65 CD GLN A 5 11.659 -1.623 8.947 1.00 0.00 C ATOM 66 OE1 GLN A 5 12.450 -1.722 9.881 1.00 0.00 O ATOM 67 NE2 GLN A 5 10.498 -2.253 8.975 1.00 0.00 N ATOM 0 H GLN A 5 9.452 1.899 6.422 1.00 0.00 H new ATOM 0 HA GLN A 5 9.799 0.403 8.903 1.00 0.00 H new ATOM 0 HB2 GLN A 5 12.023 1.236 6.995 1.00 0.00 H new ATOM 0 HB3 GLN A 5 12.304 1.081 8.718 1.00 0.00 H new ATOM 0 HG2 GLN A 5 11.407 -1.157 6.865 1.00 0.00 H new ATOM 0 HG3 GLN A 5 13.038 -0.915 7.459 1.00 0.00 H new ATOM 0 HE21 GLN A 5 9.850 -2.163 8.193 1.00 0.00 H new ATOM 0 HE22 GLN A 5 10.250 -2.830 9.779 1.00 0.00 H new ATOM 76 N PRO A 6 10.567 2.803 9.930 1.00 0.00 N ATOM 77 CA PRO A 6 11.047 4.117 10.349 1.00 0.00 C ATOM 78 C PRO A 6 12.154 4.646 9.408 1.00 0.00 C ATOM 79 O PRO A 6 12.805 3.843 8.729 1.00 0.00 O ATOM 80 CB PRO A 6 11.575 3.931 11.777 1.00 0.00 C ATOM 81 CG PRO A 6 10.840 2.690 12.280 1.00 0.00 C ATOM 82 CD PRO A 6 10.699 1.844 11.017 1.00 0.00 C ATOM 0 HA PRO A 6 10.249 4.858 10.310 1.00 0.00 H new ATOM 0 HB2 PRO A 6 12.655 3.788 11.788 1.00 0.00 H new ATOM 0 HB3 PRO A 6 11.362 4.801 12.398 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.406 2.171 13.053 1.00 0.00 H new ATOM 0 HG3 PRO A 6 9.870 2.941 12.709 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.569 1.203 10.873 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.828 1.192 11.075 1.00 0.00 H new ATOM 90 N PRO A 7 12.403 5.970 9.371 1.00 0.00 N ATOM 91 CA PRO A 7 13.407 6.570 8.499 1.00 0.00 C ATOM 92 C PRO A 7 14.785 5.904 8.562 1.00 0.00 C ATOM 93 O PRO A 7 15.253 5.504 9.632 1.00 0.00 O ATOM 94 CB PRO A 7 13.464 8.052 8.879 1.00 0.00 C ATOM 95 CG PRO A 7 12.056 8.326 9.402 1.00 0.00 C ATOM 96 CD PRO A 7 11.676 7.012 10.084 1.00 0.00 C ATOM 0 HA PRO A 7 13.115 6.427 7.459 1.00 0.00 H new ATOM 0 HB2 PRO A 7 14.222 8.245 9.639 1.00 0.00 H new ATOM 0 HB3 PRO A 7 13.705 8.680 8.021 1.00 0.00 H new ATOM 0 HG2 PRO A 7 12.042 9.162 10.102 1.00 0.00 H new ATOM 0 HG3 PRO A 7 11.368 8.574 8.594 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.948 7.026 11.139 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.600 6.842 10.034 1.00 0.00 H new ATOM 104 N ASN A 8 15.455 5.845 7.409 1.00 0.00 N ATOM 105 CA ASN A 8 16.793 5.294 7.222 1.00 0.00 C ATOM 106 C ASN A 8 17.484 6.121 6.134 1.00 0.00 C ATOM 107 O ASN A 8 16.823 6.592 5.209 1.00 0.00 O ATOM 108 CB ASN A 8 16.696 3.814 6.802 1.00 0.00 C ATOM 109 CG ASN A 8 18.051 3.235 6.419 1.00 0.00 C ATOM 110 OD1 ASN A 8 19.083 3.556 7.003 1.00 0.00 O ATOM 111 ND2 ASN A 8 18.095 2.413 5.392 1.00 0.00 N ATOM 0 H ASN A 8 15.057 6.199 6.539 1.00 0.00 H new ATOM 0 HA ASN A 8 17.366 5.340 8.148 1.00 0.00 H new ATOM 0 HB2 ASN A 8 16.273 3.233 7.621 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.012 3.721 5.959 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.990 2.038 5.077 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.234 2.151 4.912 1.00 0.00 H new ATOM 118 N GLN A 9 18.805 6.294 6.216 1.00 0.00 N ATOM 119 CA GLN A 9 19.609 7.087 5.279 1.00 0.00 C ATOM 120 C GLN A 9 19.813 6.393 3.918 1.00 0.00 C ATOM 121 O GLN A 9 20.696 6.786 3.157 1.00 0.00 O ATOM 122 CB GLN A 9 20.941 7.483 5.947 1.00 0.00 C ATOM 123 CG GLN A 9 21.925 6.317 6.146 1.00 0.00 C ATOM 124 CD GLN A 9 23.210 6.767 6.842 1.00 0.00 C ATOM 125 OE1 GLN A 9 23.465 6.418 7.992 1.00 0.00 O ATOM 126 NE2 GLN A 9 24.048 7.537 6.169 1.00 0.00 N ATOM 0 H GLN A 9 19.363 5.874 6.959 1.00 0.00 H new ATOM 0 HA GLN A 9 19.054 7.996 5.045 1.00 0.00 H new ATOM 0 HB2 GLN A 9 21.423 8.250 5.341 1.00 0.00 H new ATOM 0 HB3 GLN A 9 20.727 7.931 6.917 1.00 0.00 H new ATOM 0 HG2 GLN A 9 21.447 5.535 6.737 1.00 0.00 H new ATOM 0 HG3 GLN A 9 22.170 5.880 5.178 1.00 0.00 H new ATOM 0 HE21 GLN A 9 23.826 7.820 5.215 1.00 0.00 H new ATOM 0 HE22 GLN A 9 24.917 7.848 6.604 1.00 0.00 H new ATOM 135 N ILE A 10 19.053 5.341 3.610 1.00 0.00 N ATOM 136 CA ILE A 10 19.143 4.586 2.366 1.00 0.00 C ATOM 137 C ILE A 10 17.696 4.316 1.961 1.00 0.00 C ATOM 138 O ILE A 10 16.849 4.017 2.811 1.00 0.00 O ATOM 139 CB ILE A 10 19.967 3.276 2.523 1.00 0.00 C ATOM 140 CG1 ILE A 10 21.256 3.455 3.364 1.00 0.00 C ATOM 141 CG2 ILE A 10 20.299 2.688 1.133 1.00 0.00 C ATOM 142 CD1 ILE A 10 22.051 2.164 3.604 1.00 0.00 C ATOM 0 H ILE A 10 18.337 4.982 4.241 1.00 0.00 H new ATOM 0 HA ILE A 10 19.678 5.145 1.598 1.00 0.00 H new ATOM 0 HB ILE A 10 19.341 2.577 3.077 1.00 0.00 H new ATOM 0 HG12 ILE A 10 21.903 4.176 2.864 1.00 0.00 H new ATOM 0 HG13 ILE A 10 20.987 3.884 4.329 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.876 1.771 1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 10 19.374 2.467 0.601 1.00 0.00 H new ATOM 0 HG23 ILE A 10 20.882 3.411 0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 10 22.935 2.387 4.201 1.00 0.00 H new ATOM 0 HD12 ILE A 10 21.427 1.446 4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 10 22.356 1.742 2.647 1.00 0.00 H new ATOM 154 N LEU A 11 17.416 4.410 0.668 1.00 0.00 N ATOM 155 CA LEU A 11 16.093 4.313 0.074 1.00 0.00 C ATOM 156 C LEU A 11 16.144 3.238 -1.001 1.00 0.00 C ATOM 157 O LEU A 11 17.186 3.045 -1.628 1.00 0.00 O ATOM 158 CB LEU A 11 15.691 5.658 -0.562 1.00 0.00 C ATOM 159 CG LEU A 11 15.640 6.863 0.393 1.00 0.00 C ATOM 160 CD1 LEU A 11 15.284 8.130 -0.390 1.00 0.00 C ATOM 161 CD2 LEU A 11 14.632 6.630 1.524 1.00 0.00 C ATOM 0 H LEU A 11 18.144 4.564 -0.029 1.00 0.00 H new ATOM 0 HA LEU A 11 15.358 4.062 0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.394 5.884 -1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.710 5.542 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 11 16.624 6.987 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.249 8.981 0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.039 8.309 -1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.310 8.004 -0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.618 7.498 2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.639 6.479 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.922 5.747 2.093 1.00 0.00 H new ATOM 173 N PHE A 12 15.010 2.587 -1.238 1.00 0.00 N ATOM 174 CA PHE A 12 14.789 1.638 -2.314 1.00 0.00 C ATOM 175 C PHE A 12 13.636 2.196 -3.131 1.00 0.00 C ATOM 176 O PHE A 12 12.614 2.600 -2.568 1.00 0.00 O ATOM 177 CB PHE A 12 14.430 0.259 -1.755 1.00 0.00 C ATOM 178 CG PHE A 12 14.016 -0.725 -2.834 1.00 0.00 C ATOM 179 CD1 PHE A 12 14.983 -1.233 -3.719 1.00 0.00 C ATOM 180 CD2 PHE A 12 12.667 -1.102 -2.991 1.00 0.00 C ATOM 181 CE1 PHE A 12 14.624 -2.154 -4.716 1.00 0.00 C ATOM 182 CE2 PHE A 12 12.307 -2.033 -3.983 1.00 0.00 C ATOM 183 CZ PHE A 12 13.286 -2.564 -4.842 1.00 0.00 C ATOM 0 H PHE A 12 14.183 2.716 -0.655 1.00 0.00 H new ATOM 0 HA PHE A 12 15.686 1.510 -2.920 1.00 0.00 H new ATOM 0 HB2 PHE A 12 15.287 -0.142 -1.213 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.618 0.364 -1.035 1.00 0.00 H new ATOM 0 HD1 PHE A 12 16.010 -0.912 -3.631 1.00 0.00 H new ATOM 0 HD2 PHE A 12 11.909 -0.676 -2.350 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.375 -2.547 -5.385 1.00 0.00 H new ATOM 0 HE2 PHE A 12 11.277 -2.340 -4.085 1.00 0.00 H new ATOM 0 HZ PHE A 12 13.010 -3.285 -5.597 1.00 0.00 H new ATOM 193 N LEU A 13 13.810 2.255 -4.445 1.00 0.00 N ATOM 194 CA LEU A 13 12.909 2.932 -5.358 1.00 0.00 C ATOM 195 C LEU A 13 12.484 1.945 -6.432 1.00 0.00 C ATOM 196 O LEU A 13 13.225 1.023 -6.768 1.00 0.00 O ATOM 197 CB LEU A 13 13.575 4.139 -6.030 1.00 0.00 C ATOM 198 CG LEU A 13 13.733 5.415 -5.188 1.00 0.00 C ATOM 199 CD1 LEU A 13 14.697 5.256 -4.006 1.00 0.00 C ATOM 200 CD2 LEU A 13 14.268 6.499 -6.124 1.00 0.00 C ATOM 0 H LEU A 13 14.605 1.820 -4.914 1.00 0.00 H new ATOM 0 HA LEU A 13 12.053 3.295 -4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.565 3.833 -6.368 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.998 4.391 -6.920 1.00 0.00 H new ATOM 0 HG LEU A 13 12.763 5.664 -4.757 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.758 6.196 -3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.333 4.472 -3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.686 4.987 -4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.397 7.428 -5.569 1.00 0.00 H new ATOM 0 HD22 LEU A 13 15.228 6.185 -6.534 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.561 6.658 -6.938 1.00 0.00 H new ATOM 212 N THR A 14 11.307 2.189 -6.993 1.00 0.00 N ATOM 213 CA THR A 14 10.568 1.303 -7.888 1.00 0.00 C ATOM 214 C THR A 14 9.818 2.130 -8.948 1.00 0.00 C ATOM 215 O THR A 14 9.774 3.363 -8.870 1.00 0.00 O ATOM 216 CB THR A 14 9.598 0.442 -7.039 1.00 0.00 C ATOM 217 OG1 THR A 14 9.166 1.119 -5.866 1.00 0.00 O ATOM 218 CG2 THR A 14 10.226 -0.876 -6.583 1.00 0.00 C ATOM 0 H THR A 14 10.811 3.064 -6.826 1.00 0.00 H new ATOM 0 HA THR A 14 11.251 0.640 -8.419 1.00 0.00 H new ATOM 0 HB THR A 14 8.755 0.246 -7.702 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.783 0.924 -5.130 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.503 -1.439 -5.993 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.516 -1.462 -7.455 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.107 -0.668 -5.976 1.00 0.00 H new ATOM 226 N ASN A 15 9.204 1.448 -9.927 1.00 0.00 N ATOM 227 CA ASN A 15 8.490 2.027 -11.076 1.00 0.00 C ATOM 228 C ASN A 15 9.325 3.066 -11.839 1.00 0.00 C ATOM 229 O ASN A 15 8.807 4.058 -12.355 1.00 0.00 O ATOM 230 CB ASN A 15 7.106 2.550 -10.656 1.00 0.00 C ATOM 231 CG ASN A 15 6.215 2.822 -11.870 1.00 0.00 C ATOM 232 OD1 ASN A 15 6.038 1.961 -12.728 1.00 0.00 O ATOM 233 ND2 ASN A 15 5.612 3.996 -11.961 1.00 0.00 N ATOM 0 H ASN A 15 9.191 0.428 -9.940 1.00 0.00 H new ATOM 0 HA ASN A 15 8.324 1.224 -11.794 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.623 1.821 -10.005 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.223 3.466 -10.077 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.994 4.192 -12.748 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.765 4.705 -11.244 1.00 0.00 H new ATOM 240 N LEU A 16 10.641 2.859 -11.874 1.00 0.00 N ATOM 241 CA LEU A 16 11.576 3.709 -12.602 1.00 0.00 C ATOM 242 C LEU A 16 11.477 3.400 -14.105 1.00 0.00 C ATOM 243 O LEU A 16 11.014 2.313 -14.469 1.00 0.00 O ATOM 244 CB LEU A 16 13.009 3.439 -12.112 1.00 0.00 C ATOM 245 CG LEU A 16 13.219 3.507 -10.592 1.00 0.00 C ATOM 246 CD1 LEU A 16 14.669 3.183 -10.263 1.00 0.00 C ATOM 247 CD2 LEU A 16 12.887 4.889 -10.030 1.00 0.00 C ATOM 0 H LEU A 16 11.092 2.083 -11.389 1.00 0.00 H new ATOM 0 HA LEU A 16 11.329 4.756 -12.428 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.311 2.450 -12.458 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.676 4.160 -12.585 1.00 0.00 H new ATOM 0 HG LEU A 16 12.546 2.780 -10.136 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.817 3.232 -9.184 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.907 2.180 -10.617 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.323 3.905 -10.752 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.049 4.892 -8.952 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.530 5.635 -10.496 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.844 5.126 -10.240 1.00 0.00 H new ATOM 259 N PRO A 17 11.924 4.314 -14.987 1.00 0.00 N ATOM 260 CA PRO A 17 12.074 4.037 -16.407 1.00 0.00 C ATOM 261 C PRO A 17 12.895 2.766 -16.663 1.00 0.00 C ATOM 262 O PRO A 17 13.852 2.469 -15.942 1.00 0.00 O ATOM 263 CB PRO A 17 12.762 5.258 -17.021 1.00 0.00 C ATOM 264 CG PRO A 17 12.641 6.371 -15.987 1.00 0.00 C ATOM 265 CD PRO A 17 12.258 5.692 -14.675 1.00 0.00 C ATOM 0 HA PRO A 17 11.098 3.860 -16.859 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.807 5.045 -17.245 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.286 5.543 -17.959 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.582 6.912 -15.885 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.885 7.098 -16.284 1.00 0.00 H new ATOM 0 HD2 PRO A 17 13.083 5.736 -13.964 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.411 6.198 -14.213 1.00 0.00 H new ATOM 273 N GLU A 18 12.618 2.081 -17.773 1.00 0.00 N ATOM 274 CA GLU A 18 13.439 0.964 -18.252 1.00 0.00 C ATOM 275 C GLU A 18 14.807 1.441 -18.779 1.00 0.00 C ATOM 276 O GLU A 18 15.644 0.623 -19.159 1.00 0.00 O ATOM 277 CB GLU A 18 12.672 0.176 -19.328 1.00 0.00 C ATOM 278 CG GLU A 18 11.405 -0.492 -18.773 1.00 0.00 C ATOM 279 CD GLU A 18 10.707 -1.351 -19.844 1.00 0.00 C ATOM 280 OE1 GLU A 18 9.858 -0.825 -20.601 1.00 0.00 O ATOM 281 OE2 GLU A 18 10.984 -2.570 -19.932 1.00 0.00 O ATOM 0 H GLU A 18 11.815 2.285 -18.369 1.00 0.00 H new ATOM 0 HA GLU A 18 13.641 0.304 -17.408 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.398 0.848 -20.141 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.326 -0.587 -19.751 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.665 -1.115 -17.918 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.717 0.273 -18.413 1.00 0.00 H new ATOM 288 N GLU A 19 15.047 2.757 -18.785 1.00 0.00 N ATOM 289 CA GLU A 19 16.225 3.418 -19.304 1.00 0.00 C ATOM 290 C GLU A 19 16.980 4.208 -18.218 1.00 0.00 C ATOM 291 O GLU A 19 17.885 4.980 -18.537 1.00 0.00 O ATOM 292 CB GLU A 19 15.817 4.290 -20.510 1.00 0.00 C ATOM 293 CG GLU A 19 14.888 5.463 -20.153 1.00 0.00 C ATOM 294 CD GLU A 19 14.576 6.322 -21.392 1.00 0.00 C ATOM 295 OE1 GLU A 19 13.590 6.033 -22.108 1.00 0.00 O ATOM 296 OE2 GLU A 19 15.305 7.304 -21.660 1.00 0.00 O ATOM 0 H GLU A 19 14.374 3.421 -18.401 1.00 0.00 H new ATOM 0 HA GLU A 19 16.937 2.667 -19.645 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.718 4.684 -20.980 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.321 3.660 -21.249 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.960 5.079 -19.730 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.356 6.081 -19.387 1.00 0.00 H new ATOM 303 N THR A 20 16.604 4.053 -16.943 1.00 0.00 N ATOM 304 CA THR A 20 17.213 4.783 -15.837 1.00 0.00 C ATOM 305 C THR A 20 18.682 4.376 -15.713 1.00 0.00 C ATOM 306 O THR A 20 19.033 3.201 -15.857 1.00 0.00 O ATOM 307 CB THR A 20 16.455 4.508 -14.526 1.00 0.00 C ATOM 308 OG1 THR A 20 15.073 4.544 -14.760 1.00 0.00 O ATOM 309 CG2 THR A 20 16.716 5.588 -13.472 1.00 0.00 C ATOM 0 H THR A 20 15.864 3.413 -16.653 1.00 0.00 H new ATOM 0 HA THR A 20 17.156 5.853 -16.035 1.00 0.00 H new ATOM 0 HB THR A 20 16.800 3.536 -14.173 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.745 3.635 -14.923 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.161 5.352 -12.564 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.782 5.626 -13.246 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.392 6.556 -13.855 1.00 0.00 H new ATOM 317 N ASN A 21 19.528 5.346 -15.383 1.00 0.00 N ATOM 318 CA ASN A 21 20.917 5.152 -15.011 1.00 0.00 C ATOM 319 C ASN A 21 21.167 6.044 -13.790 1.00 0.00 C ATOM 320 O ASN A 21 20.371 6.941 -13.502 1.00 0.00 O ATOM 321 CB ASN A 21 21.835 5.490 -16.201 1.00 0.00 C ATOM 322 CG ASN A 21 23.315 5.435 -15.839 1.00 0.00 C ATOM 323 OD1 ASN A 21 23.766 4.518 -15.159 1.00 0.00 O ATOM 324 ND2 ASN A 21 24.083 6.437 -16.229 1.00 0.00 N ATOM 0 H ASN A 21 19.249 6.327 -15.368 1.00 0.00 H new ATOM 0 HA ASN A 21 21.137 4.116 -14.754 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.639 4.792 -17.015 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.592 6.487 -16.570 1.00 0.00 H new ATOM 0 HD21 ASN A 21 25.068 6.457 -15.965 1.00 0.00 H new ATOM 0 HD22 ASN A 21 23.691 7.190 -16.794 1.00 0.00 H new ATOM 331 N GLU A 22 22.260 5.813 -13.065 1.00 0.00 N ATOM 332 CA GLU A 22 22.573 6.507 -11.814 1.00 0.00 C ATOM 333 C GLU A 22 22.656 8.014 -12.013 1.00 0.00 C ATOM 334 O GLU A 22 22.337 8.766 -11.096 1.00 0.00 O ATOM 335 CB GLU A 22 23.883 5.967 -11.211 1.00 0.00 C ATOM 336 CG GLU A 22 23.747 4.469 -10.932 1.00 0.00 C ATOM 337 CD GLU A 22 24.952 3.776 -10.277 1.00 0.00 C ATOM 338 OE1 GLU A 22 26.100 4.274 -10.354 1.00 0.00 O ATOM 339 OE2 GLU A 22 24.735 2.676 -9.719 1.00 0.00 O ATOM 0 H GLU A 22 22.966 5.127 -13.334 1.00 0.00 H new ATOM 0 HA GLU A 22 21.759 6.312 -11.116 1.00 0.00 H new ATOM 0 HB2 GLU A 22 24.710 6.145 -11.898 1.00 0.00 H new ATOM 0 HB3 GLU A 22 24.115 6.498 -10.288 1.00 0.00 H new ATOM 0 HG2 GLU A 22 22.879 4.320 -10.290 1.00 0.00 H new ATOM 0 HG3 GLU A 22 23.536 3.965 -11.875 1.00 0.00 H new ATOM 346 N MET A 23 23.022 8.448 -13.221 1.00 0.00 N ATOM 347 CA MET A 23 23.077 9.859 -13.597 1.00 0.00 C ATOM 348 C MET A 23 21.736 10.546 -13.328 1.00 0.00 C ATOM 349 O MET A 23 21.711 11.602 -12.695 1.00 0.00 O ATOM 350 CB MET A 23 23.521 9.979 -15.067 1.00 0.00 C ATOM 351 CG MET A 23 23.813 11.420 -15.521 1.00 0.00 C ATOM 352 SD MET A 23 22.393 12.525 -15.805 1.00 0.00 S ATOM 353 CE MET A 23 21.644 11.763 -17.272 1.00 0.00 C ATOM 0 H MET A 23 23.292 7.818 -13.976 1.00 0.00 H new ATOM 0 HA MET A 23 23.814 10.376 -12.983 1.00 0.00 H new ATOM 0 HB2 MET A 23 24.416 9.375 -15.215 1.00 0.00 H new ATOM 0 HB3 MET A 23 22.744 9.559 -15.705 1.00 0.00 H new ATOM 0 HG2 MET A 23 24.454 11.884 -14.771 1.00 0.00 H new ATOM 0 HG3 MET A 23 24.389 11.370 -16.445 1.00 0.00 H new ATOM 0 HE1 MET A 23 21.371 12.540 -17.986 1.00 0.00 H new ATOM 0 HE2 MET A 23 22.359 11.081 -17.733 1.00 0.00 H new ATOM 0 HE3 MET A 23 20.752 11.210 -16.979 1.00 0.00 H new ATOM 363 N MET A 24 20.629 9.927 -13.747 1.00 0.00 N ATOM 364 CA MET A 24 19.292 10.508 -13.642 1.00 0.00 C ATOM 365 C MET A 24 18.951 10.760 -12.180 1.00 0.00 C ATOM 366 O MET A 24 18.597 11.872 -11.788 1.00 0.00 O ATOM 367 CB MET A 24 18.226 9.586 -14.270 1.00 0.00 C ATOM 368 CG MET A 24 18.307 9.473 -15.793 1.00 0.00 C ATOM 369 SD MET A 24 19.681 8.490 -16.442 1.00 0.00 S ATOM 370 CE MET A 24 19.243 8.471 -18.200 1.00 0.00 C ATOM 0 H MET A 24 20.638 9.000 -14.172 1.00 0.00 H new ATOM 0 HA MET A 24 19.292 11.451 -14.189 1.00 0.00 H new ATOM 0 HB2 MET A 24 18.325 8.590 -13.838 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.237 9.955 -13.997 1.00 0.00 H new ATOM 0 HG2 MET A 24 17.374 9.042 -16.156 1.00 0.00 H new ATOM 0 HG3 MET A 24 18.377 10.478 -16.209 1.00 0.00 H new ATOM 0 HE1 MET A 24 19.990 7.903 -18.755 1.00 0.00 H new ATOM 0 HE2 MET A 24 18.265 8.006 -18.326 1.00 0.00 H new ATOM 0 HE3 MET A 24 19.210 9.493 -18.578 1.00 0.00 H new ATOM 380 N LEU A 25 19.078 9.719 -11.358 1.00 0.00 N ATOM 381 CA LEU A 25 18.684 9.816 -9.961 1.00 0.00 C ATOM 382 C LEU A 25 19.665 10.693 -9.191 1.00 0.00 C ATOM 383 O LEU A 25 19.238 11.402 -8.287 1.00 0.00 O ATOM 384 CB LEU A 25 18.576 8.431 -9.310 1.00 0.00 C ATOM 385 CG LEU A 25 17.515 7.507 -9.932 1.00 0.00 C ATOM 386 CD1 LEU A 25 17.392 6.238 -9.084 1.00 0.00 C ATOM 387 CD2 LEU A 25 16.146 8.186 -10.057 1.00 0.00 C ATOM 0 H LEU A 25 19.447 8.809 -11.635 1.00 0.00 H new ATOM 0 HA LEU A 25 17.697 10.277 -9.925 1.00 0.00 H new ATOM 0 HB2 LEU A 25 19.547 7.939 -9.372 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.350 8.559 -8.251 1.00 0.00 H new ATOM 0 HG LEU A 25 17.842 7.260 -10.942 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.641 5.580 -9.521 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.353 5.724 -9.056 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.094 6.505 -8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.434 7.491 -10.502 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.795 8.482 -9.068 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.234 9.069 -10.690 1.00 0.00 H new ATOM 399 N SER A 26 20.951 10.702 -9.551 1.00 0.00 N ATOM 400 CA SER A 26 21.914 11.593 -8.919 1.00 0.00 C ATOM 401 C SER A 26 21.527 13.039 -9.210 1.00 0.00 C ATOM 402 O SER A 26 21.448 13.847 -8.291 1.00 0.00 O ATOM 403 CB SER A 26 23.340 11.303 -9.401 1.00 0.00 C ATOM 404 OG SER A 26 23.693 9.956 -9.158 1.00 0.00 O ATOM 0 H SER A 26 21.344 10.102 -10.276 1.00 0.00 H new ATOM 0 HA SER A 26 21.897 11.424 -7.842 1.00 0.00 H new ATOM 0 HB2 SER A 26 23.418 11.516 -10.467 1.00 0.00 H new ATOM 0 HB3 SER A 26 24.041 11.964 -8.892 1.00 0.00 H new ATOM 0 HG SER A 26 23.443 9.408 -9.931 1.00 0.00 H new ATOM 410 N MET A 27 21.211 13.353 -10.465 1.00 0.00 N ATOM 411 CA MET A 27 20.781 14.680 -10.878 1.00 0.00 C ATOM 412 C MET A 27 19.523 15.103 -10.111 1.00 0.00 C ATOM 413 O MET A 27 19.435 16.255 -9.684 1.00 0.00 O ATOM 414 CB MET A 27 20.574 14.678 -12.400 1.00 0.00 C ATOM 415 CG MET A 27 20.126 16.038 -12.937 1.00 0.00 C ATOM 416 SD MET A 27 20.045 16.164 -14.748 1.00 0.00 S ATOM 417 CE MET A 27 18.767 14.928 -15.124 1.00 0.00 C ATOM 0 H MET A 27 21.248 12.681 -11.231 1.00 0.00 H new ATOM 0 HA MET A 27 21.546 15.419 -10.639 1.00 0.00 H new ATOM 0 HB2 MET A 27 21.504 14.388 -12.889 1.00 0.00 H new ATOM 0 HB3 MET A 27 19.829 13.926 -12.660 1.00 0.00 H new ATOM 0 HG2 MET A 27 19.142 16.266 -12.528 1.00 0.00 H new ATOM 0 HG3 MET A 27 20.810 16.801 -12.566 1.00 0.00 H new ATOM 0 HE1 MET A 27 18.503 14.987 -16.180 1.00 0.00 H new ATOM 0 HE2 MET A 27 19.148 13.931 -14.901 1.00 0.00 H new ATOM 0 HE3 MET A 27 17.883 15.123 -14.517 1.00 0.00 H new ATOM 427 N LEU A 28 18.565 14.189 -9.906 1.00 0.00 N ATOM 428 CA LEU A 28 17.333 14.506 -9.188 1.00 0.00 C ATOM 429 C LEU A 28 17.582 14.693 -7.693 1.00 0.00 C ATOM 430 O LEU A 28 17.202 15.725 -7.138 1.00 0.00 O ATOM 431 CB LEU A 28 16.257 13.431 -9.428 1.00 0.00 C ATOM 432 CG LEU A 28 15.686 13.418 -10.861 1.00 0.00 C ATOM 433 CD1 LEU A 28 14.714 12.244 -11.016 1.00 0.00 C ATOM 434 CD2 LEU A 28 14.961 14.722 -11.224 1.00 0.00 C ATOM 0 H LEU A 28 18.624 13.224 -10.230 1.00 0.00 H new ATOM 0 HA LEU A 28 16.966 15.453 -9.584 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.683 12.452 -9.209 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.439 13.588 -8.724 1.00 0.00 H new ATOM 0 HG LEU A 28 16.532 13.313 -11.540 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.311 12.236 -12.029 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.241 11.308 -10.828 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.897 12.351 -10.302 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.580 14.655 -12.243 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.130 14.880 -10.536 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.657 15.558 -11.151 1.00 0.00 H new ATOM 446 N PHE A 29 18.197 13.718 -7.029 1.00 0.00 N ATOM 447 CA PHE A 29 18.283 13.713 -5.574 1.00 0.00 C ATOM 448 C PHE A 29 19.411 14.607 -5.046 1.00 0.00 C ATOM 449 O PHE A 29 19.288 15.121 -3.936 1.00 0.00 O ATOM 450 CB PHE A 29 18.423 12.278 -5.050 1.00 0.00 C ATOM 451 CG PHE A 29 17.136 11.472 -5.041 1.00 0.00 C ATOM 452 CD1 PHE A 29 16.635 10.882 -6.217 1.00 0.00 C ATOM 453 CD2 PHE A 29 16.435 11.300 -3.831 1.00 0.00 C ATOM 454 CE1 PHE A 29 15.442 10.141 -6.182 1.00 0.00 C ATOM 455 CE2 PHE A 29 15.243 10.560 -3.793 1.00 0.00 C ATOM 456 CZ PHE A 29 14.744 9.990 -4.974 1.00 0.00 C ATOM 0 H PHE A 29 18.644 12.919 -7.479 1.00 0.00 H new ATOM 0 HA PHE A 29 17.352 14.136 -5.196 1.00 0.00 H new ATOM 0 HB2 PHE A 29 19.158 11.754 -5.660 1.00 0.00 H new ATOM 0 HB3 PHE A 29 18.819 12.314 -4.035 1.00 0.00 H new ATOM 0 HD1 PHE A 29 17.169 10.999 -7.148 1.00 0.00 H new ATOM 0 HD2 PHE A 29 16.819 11.742 -2.923 1.00 0.00 H new ATOM 0 HE1 PHE A 29 15.062 9.687 -7.085 1.00 0.00 H new ATOM 0 HE2 PHE A 29 14.713 10.430 -2.861 1.00 0.00 H new ATOM 0 HZ PHE A 29 13.819 9.433 -4.953 1.00 0.00 H new ATOM 466 N ASN A 30 20.486 14.859 -5.802 1.00 0.00 N ATOM 467 CA ASN A 30 21.592 15.705 -5.331 1.00 0.00 C ATOM 468 C ASN A 30 21.167 17.166 -5.107 1.00 0.00 C ATOM 469 O ASN A 30 21.903 17.942 -4.499 1.00 0.00 O ATOM 470 CB ASN A 30 22.798 15.618 -6.271 1.00 0.00 C ATOM 471 CG ASN A 30 24.008 16.396 -5.753 1.00 0.00 C ATOM 472 OD1 ASN A 30 24.486 16.165 -4.647 1.00 0.00 O ATOM 473 ND2 ASN A 30 24.542 17.316 -6.541 1.00 0.00 N ATOM 0 H ASN A 30 20.615 14.489 -6.744 1.00 0.00 H new ATOM 0 HA ASN A 30 21.890 15.313 -4.358 1.00 0.00 H new ATOM 0 HB2 ASN A 30 23.074 14.572 -6.405 1.00 0.00 H new ATOM 0 HB3 ASN A 30 22.517 16.002 -7.252 1.00 0.00 H new ATOM 0 HD21 ASN A 30 25.359 17.841 -6.231 1.00 0.00 H new ATOM 0 HD22 ASN A 30 24.136 17.500 -7.459 1.00 0.00 H new ATOM 480 N GLN A 31 19.974 17.555 -5.575 1.00 0.00 N ATOM 481 CA GLN A 31 19.369 18.843 -5.263 1.00 0.00 C ATOM 482 C GLN A 31 19.209 19.036 -3.746 1.00 0.00 C ATOM 483 O GLN A 31 19.280 20.170 -3.271 1.00 0.00 O ATOM 484 CB GLN A 31 18.003 18.968 -5.959 1.00 0.00 C ATOM 485 CG GLN A 31 18.111 18.971 -7.492 1.00 0.00 C ATOM 486 CD GLN A 31 16.737 19.113 -8.148 1.00 0.00 C ATOM 487 OE1 GLN A 31 16.371 20.175 -8.648 1.00 0.00 O ATOM 488 NE2 GLN A 31 15.940 18.057 -8.148 1.00 0.00 N ATOM 0 H GLN A 31 19.401 16.974 -6.187 1.00 0.00 H new ATOM 0 HA GLN A 31 20.034 19.624 -5.632 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.365 18.142 -5.646 1.00 0.00 H new ATOM 0 HB3 GLN A 31 17.517 19.887 -5.632 1.00 0.00 H new ATOM 0 HG2 GLN A 31 18.755 19.791 -7.811 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.582 18.047 -7.827 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.254 17.181 -7.730 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.011 18.119 -8.566 1.00 0.00 H new ATOM 497 N PHE A 32 18.998 17.956 -2.982 1.00 0.00 N ATOM 498 CA PHE A 32 18.861 18.027 -1.531 1.00 0.00 C ATOM 499 C PHE A 32 20.264 18.017 -0.906 1.00 0.00 C ATOM 500 O PHE A 32 21.094 17.202 -1.323 1.00 0.00 O ATOM 501 CB PHE A 32 18.016 16.848 -1.021 1.00 0.00 C ATOM 502 CG PHE A 32 16.710 16.679 -1.782 1.00 0.00 C ATOM 503 CD1 PHE A 32 15.726 17.688 -1.756 1.00 0.00 C ATOM 504 CD2 PHE A 32 16.516 15.548 -2.597 1.00 0.00 C ATOM 505 CE1 PHE A 32 14.580 17.577 -2.566 1.00 0.00 C ATOM 506 CE2 PHE A 32 15.374 15.438 -3.404 1.00 0.00 C ATOM 507 CZ PHE A 32 14.413 16.458 -3.402 1.00 0.00 C ATOM 0 H PHE A 32 18.918 17.011 -3.358 1.00 0.00 H new ATOM 0 HA PHE A 32 18.349 18.946 -1.245 1.00 0.00 H new ATOM 0 HB2 PHE A 32 18.598 15.930 -1.101 1.00 0.00 H new ATOM 0 HB3 PHE A 32 17.797 16.996 0.037 1.00 0.00 H new ATOM 0 HD1 PHE A 32 15.851 18.547 -1.114 1.00 0.00 H new ATOM 0 HD2 PHE A 32 17.253 14.758 -2.601 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.828 18.352 -2.546 1.00 0.00 H new ATOM 0 HE2 PHE A 32 15.235 14.567 -4.027 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.546 16.385 -4.041 1.00 0.00 H new ATOM 517 N PRO A 33 20.545 18.850 0.116 1.00 0.00 N ATOM 518 CA PRO A 33 21.876 19.020 0.712 1.00 0.00 C ATOM 519 C PRO A 33 22.293 17.845 1.626 1.00 0.00 C ATOM 520 O PRO A 33 22.990 18.036 2.626 1.00 0.00 O ATOM 521 CB PRO A 33 21.799 20.373 1.437 1.00 0.00 C ATOM 522 CG PRO A 33 20.344 20.444 1.888 1.00 0.00 C ATOM 523 CD PRO A 33 19.607 19.788 0.722 1.00 0.00 C ATOM 0 HA PRO A 33 22.664 19.015 -0.041 1.00 0.00 H new ATOM 0 HB2 PRO A 33 22.485 20.416 2.283 1.00 0.00 H new ATOM 0 HB3 PRO A 33 22.056 21.200 0.775 1.00 0.00 H new ATOM 0 HG2 PRO A 33 20.182 19.909 2.824 1.00 0.00 H new ATOM 0 HG3 PRO A 33 20.018 21.472 2.048 1.00 0.00 H new ATOM 0 HD2 PRO A 33 18.712 19.272 1.070 1.00 0.00 H new ATOM 0 HD3 PRO A 33 19.283 20.535 -0.002 1.00 0.00 H new ATOM 531 N GLY A 34 21.866 16.623 1.299 1.00 0.00 N ATOM 532 CA GLY A 34 22.132 15.415 2.064 1.00 0.00 C ATOM 533 C GLY A 34 22.312 14.171 1.207 1.00 0.00 C ATOM 534 O GLY A 34 22.644 13.129 1.767 1.00 0.00 O ATOM 0 H GLY A 34 21.307 16.448 0.464 1.00 0.00 H new ATOM 0 HA2 GLY A 34 23.031 15.566 2.662 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.310 15.249 2.760 1.00 0.00 H new ATOM 538 N PHE A 35 22.103 14.237 -0.113 1.00 0.00 N ATOM 539 CA PHE A 35 22.364 13.133 -1.016 1.00 0.00 C ATOM 540 C PHE A 35 23.817 12.690 -0.888 1.00 0.00 C ATOM 541 O PHE A 35 24.709 13.499 -0.607 1.00 0.00 O ATOM 542 CB PHE A 35 22.084 13.631 -2.431 1.00 0.00 C ATOM 543 CG PHE A 35 22.548 12.724 -3.554 1.00 0.00 C ATOM 544 CD1 PHE A 35 23.842 12.873 -4.092 1.00 0.00 C ATOM 545 CD2 PHE A 35 21.685 11.747 -4.076 1.00 0.00 C ATOM 546 CE1 PHE A 35 24.261 12.053 -5.153 1.00 0.00 C ATOM 547 CE2 PHE A 35 22.092 10.954 -5.158 1.00 0.00 C ATOM 548 CZ PHE A 35 23.380 11.107 -5.692 1.00 0.00 C ATOM 0 H PHE A 35 21.744 15.070 -0.579 1.00 0.00 H new ATOM 0 HA PHE A 35 21.731 12.278 -0.779 1.00 0.00 H new ATOM 0 HB2 PHE A 35 21.010 13.787 -2.535 1.00 0.00 H new ATOM 0 HB3 PHE A 35 22.560 14.604 -2.555 1.00 0.00 H new ATOM 0 HD1 PHE A 35 24.512 13.618 -3.688 1.00 0.00 H new ATOM 0 HD2 PHE A 35 20.706 11.606 -3.643 1.00 0.00 H new ATOM 0 HE1 PHE A 35 25.260 12.152 -5.552 1.00 0.00 H new ATOM 0 HE2 PHE A 35 21.415 10.226 -5.580 1.00 0.00 H new ATOM 0 HZ PHE A 35 23.694 10.492 -6.523 1.00 0.00 H new ATOM 558 N LYS A 36 24.052 11.407 -1.154 1.00 0.00 N ATOM 559 CA LYS A 36 25.375 10.808 -1.060 1.00 0.00 C ATOM 560 C LYS A 36 25.671 9.890 -2.243 1.00 0.00 C ATOM 561 O LYS A 36 26.771 9.999 -2.781 1.00 0.00 O ATOM 562 CB LYS A 36 25.509 10.102 0.303 1.00 0.00 C ATOM 563 CG LYS A 36 26.902 10.324 0.913 1.00 0.00 C ATOM 564 CD LYS A 36 27.032 9.772 2.344 1.00 0.00 C ATOM 565 CE LYS A 36 26.783 8.261 2.455 1.00 0.00 C ATOM 566 NZ LYS A 36 27.787 7.455 1.719 1.00 0.00 N ATOM 0 H LYS A 36 23.324 10.753 -1.442 1.00 0.00 H new ATOM 0 HA LYS A 36 26.133 11.590 -1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 36 24.747 10.477 0.986 1.00 0.00 H new ATOM 0 HB3 LYS A 36 25.329 9.034 0.181 1.00 0.00 H new ATOM 0 HG2 LYS A 36 27.650 9.849 0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 36 27.122 11.391 0.921 1.00 0.00 H new ATOM 0 HD2 LYS A 36 28.031 9.994 2.719 1.00 0.00 H new ATOM 0 HD3 LYS A 36 26.326 10.295 2.990 1.00 0.00 H new ATOM 0 HE2 LYS A 36 26.793 7.973 3.506 1.00 0.00 H new ATOM 0 HE3 LYS A 36 25.789 8.033 2.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 27.301 6.787 1.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 28.393 8.085 1.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 28.373 6.927 2.397 1.00 0.00 H new ATOM 580 N GLU A 37 24.746 9.023 -2.679 1.00 0.00 N ATOM 581 CA GLU A 37 25.010 8.082 -3.777 1.00 0.00 C ATOM 582 C GLU A 37 23.713 7.495 -4.363 1.00 0.00 C ATOM 583 O GLU A 37 22.632 7.665 -3.797 1.00 0.00 O ATOM 584 CB GLU A 37 25.921 6.932 -3.266 1.00 0.00 C ATOM 585 CG GLU A 37 27.317 6.889 -3.912 1.00 0.00 C ATOM 586 CD GLU A 37 27.314 6.456 -5.391 1.00 0.00 C ATOM 587 OE1 GLU A 37 26.601 7.075 -6.211 1.00 0.00 O ATOM 588 OE2 GLU A 37 28.069 5.521 -5.745 1.00 0.00 O ATOM 0 H GLU A 37 23.807 8.954 -2.287 1.00 0.00 H new ATOM 0 HA GLU A 37 25.509 8.634 -4.574 1.00 0.00 H new ATOM 0 HB2 GLU A 37 26.037 7.030 -2.187 1.00 0.00 H new ATOM 0 HB3 GLU A 37 25.421 5.981 -3.448 1.00 0.00 H new ATOM 0 HG2 GLU A 37 27.772 7.877 -3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 37 27.947 6.203 -3.345 1.00 0.00 H new ATOM 595 N VAL A 38 23.840 6.743 -5.462 1.00 0.00 N ATOM 596 CA VAL A 38 22.809 5.909 -6.082 1.00 0.00 C ATOM 597 C VAL A 38 23.430 4.526 -6.343 1.00 0.00 C ATOM 598 O VAL A 38 24.645 4.404 -6.520 1.00 0.00 O ATOM 599 CB VAL A 38 22.312 6.559 -7.398 1.00 0.00 C ATOM 600 CG1 VAL A 38 21.204 5.755 -8.101 1.00 0.00 C ATOM 601 CG2 VAL A 38 21.759 7.968 -7.168 1.00 0.00 C ATOM 0 H VAL A 38 24.722 6.699 -5.973 1.00 0.00 H new ATOM 0 HA VAL A 38 21.943 5.810 -5.427 1.00 0.00 H new ATOM 0 HB VAL A 38 23.199 6.584 -8.031 1.00 0.00 H new ATOM 0 HG11 VAL A 38 20.905 6.269 -9.014 1.00 0.00 H new ATOM 0 HG12 VAL A 38 21.577 4.761 -8.349 1.00 0.00 H new ATOM 0 HG13 VAL A 38 20.344 5.664 -7.438 1.00 0.00 H new ATOM 0 HG21 VAL A 38 21.422 8.386 -8.117 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.920 7.921 -6.474 1.00 0.00 H new ATOM 0 HG23 VAL A 38 22.541 8.602 -6.750 1.00 0.00 H new ATOM 611 N ARG A 39 22.597 3.483 -6.399 1.00 0.00 N ATOM 612 CA ARG A 39 22.964 2.140 -6.840 1.00 0.00 C ATOM 613 C ARG A 39 21.817 1.652 -7.713 1.00 0.00 C ATOM 614 O ARG A 39 20.758 1.291 -7.197 1.00 0.00 O ATOM 615 CB ARG A 39 23.272 1.258 -5.616 1.00 0.00 C ATOM 616 CG ARG A 39 23.627 -0.213 -5.905 1.00 0.00 C ATOM 617 CD ARG A 39 22.409 -1.151 -5.930 1.00 0.00 C ATOM 618 NE ARG A 39 22.805 -2.561 -5.759 1.00 0.00 N ATOM 619 CZ ARG A 39 23.246 -3.402 -6.704 1.00 0.00 C ATOM 620 NH1 ARG A 39 23.297 -3.041 -7.984 1.00 0.00 N ATOM 621 NH2 ARG A 39 23.647 -4.620 -6.355 1.00 0.00 N ATOM 0 H ARG A 39 21.616 3.556 -6.129 1.00 0.00 H new ATOM 0 HA ARG A 39 23.878 2.110 -7.434 1.00 0.00 H new ATOM 0 HB2 ARG A 39 24.101 1.709 -5.070 1.00 0.00 H new ATOM 0 HB3 ARG A 39 22.406 1.277 -4.954 1.00 0.00 H new ATOM 0 HG2 ARG A 39 24.139 -0.272 -6.865 1.00 0.00 H new ATOM 0 HG3 ARG A 39 24.328 -0.563 -5.148 1.00 0.00 H new ATOM 0 HD2 ARG A 39 21.716 -0.869 -5.138 1.00 0.00 H new ATOM 0 HD3 ARG A 39 21.878 -1.034 -6.875 1.00 0.00 H new ATOM 0 HE ARG A 39 22.735 -2.939 -4.814 1.00 0.00 H new ATOM 0 HH11 ARG A 39 22.997 -2.107 -8.263 1.00 0.00 H new ATOM 0 HH12 ARG A 39 23.637 -3.698 -8.686 1.00 0.00 H new ATOM 0 HH21 ARG A 39 23.617 -4.906 -5.376 1.00 0.00 H new ATOM 0 HH22 ARG A 39 23.985 -5.269 -7.066 1.00 0.00 H new ATOM 635 N LEU A 40 21.984 1.720 -9.033 1.00 0.00 N ATOM 636 CA LEU A 40 21.035 1.148 -9.983 1.00 0.00 C ATOM 637 C LEU A 40 21.120 -0.373 -9.916 1.00 0.00 C ATOM 638 O LEU A 40 22.036 -0.940 -9.315 1.00 0.00 O ATOM 639 CB LEU A 40 21.338 1.646 -11.418 1.00 0.00 C ATOM 640 CG LEU A 40 20.227 2.480 -12.081 1.00 0.00 C ATOM 641 CD1 LEU A 40 18.961 1.654 -12.322 1.00 0.00 C ATOM 642 CD2 LEU A 40 19.898 3.754 -11.295 1.00 0.00 C ATOM 0 H LEU A 40 22.784 2.175 -9.473 1.00 0.00 H new ATOM 0 HA LEU A 40 20.025 1.466 -9.724 1.00 0.00 H new ATOM 0 HB2 LEU A 40 22.249 2.244 -11.391 1.00 0.00 H new ATOM 0 HB3 LEU A 40 21.543 0.780 -12.048 1.00 0.00 H new ATOM 0 HG LEU A 40 20.621 2.788 -13.049 1.00 0.00 H new ATOM 0 HD11 LEU A 40 18.202 2.280 -12.791 1.00 0.00 H new ATOM 0 HD12 LEU A 40 19.194 0.814 -12.976 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.584 1.279 -11.370 1.00 0.00 H new ATOM 0 HD21 LEU A 40 19.108 4.304 -11.807 1.00 0.00 H new ATOM 0 HD22 LEU A 40 19.563 3.487 -10.293 1.00 0.00 H new ATOM 0 HD23 LEU A 40 20.789 4.379 -11.225 1.00 0.00 H new ATOM 654 N VAL A 41 20.205 -1.029 -10.617 1.00 0.00 N ATOM 655 CA VAL A 41 20.227 -2.459 -10.865 1.00 0.00 C ATOM 656 C VAL A 41 20.295 -2.570 -12.388 1.00 0.00 C ATOM 657 O VAL A 41 19.244 -2.653 -13.020 1.00 0.00 O ATOM 658 CB VAL A 41 19.023 -3.146 -10.181 1.00 0.00 C ATOM 659 CG1 VAL A 41 19.103 -4.671 -10.341 1.00 0.00 C ATOM 660 CG2 VAL A 41 18.966 -2.818 -8.677 1.00 0.00 C ATOM 0 H VAL A 41 19.403 -0.563 -11.041 1.00 0.00 H new ATOM 0 HA VAL A 41 21.075 -2.989 -10.432 1.00 0.00 H new ATOM 0 HB VAL A 41 18.125 -2.766 -10.667 1.00 0.00 H new ATOM 0 HG11 VAL A 41 18.246 -5.134 -9.852 1.00 0.00 H new ATOM 0 HG12 VAL A 41 19.098 -4.926 -11.401 1.00 0.00 H new ATOM 0 HG13 VAL A 41 20.022 -5.037 -9.884 1.00 0.00 H new ATOM 0 HG21 VAL A 41 18.107 -3.317 -8.228 1.00 0.00 H new ATOM 0 HG22 VAL A 41 19.880 -3.164 -8.194 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.870 -1.741 -8.543 1.00 0.00 H new ATOM 670 N PRO A 42 21.488 -2.496 -13.012 1.00 0.00 N ATOM 671 CA PRO A 42 21.664 -2.390 -14.467 1.00 0.00 C ATOM 672 C PRO A 42 21.384 -3.699 -15.234 1.00 0.00 C ATOM 673 O PRO A 42 21.949 -3.968 -16.296 1.00 0.00 O ATOM 674 CB PRO A 42 23.085 -1.843 -14.660 1.00 0.00 C ATOM 675 CG PRO A 42 23.831 -2.426 -13.465 1.00 0.00 C ATOM 676 CD PRO A 42 22.783 -2.353 -12.358 1.00 0.00 C ATOM 0 HA PRO A 42 20.923 -1.720 -14.903 1.00 0.00 H new ATOM 0 HB2 PRO A 42 23.519 -2.167 -15.606 1.00 0.00 H new ATOM 0 HB3 PRO A 42 23.104 -0.753 -14.657 1.00 0.00 H new ATOM 0 HG2 PRO A 42 24.157 -3.450 -13.649 1.00 0.00 H new ATOM 0 HG3 PRO A 42 24.722 -1.847 -13.220 1.00 0.00 H new ATOM 0 HD2 PRO A 42 22.937 -3.143 -11.624 1.00 0.00 H new ATOM 0 HD3 PRO A 42 22.847 -1.405 -11.824 1.00 0.00 H new ATOM 684 N ASN A 43 20.500 -4.519 -14.670 1.00 0.00 N ATOM 685 CA ASN A 43 19.886 -5.701 -15.246 1.00 0.00 C ATOM 686 C ASN A 43 18.354 -5.672 -15.089 1.00 0.00 C ATOM 687 O ASN A 43 17.685 -6.552 -15.632 1.00 0.00 O ATOM 688 CB ASN A 43 20.500 -6.989 -14.670 1.00 0.00 C ATOM 689 CG ASN A 43 20.121 -7.227 -13.211 1.00 0.00 C ATOM 690 OD1 ASN A 43 19.022 -7.673 -12.898 1.00 0.00 O ATOM 691 ND2 ASN A 43 21.013 -6.920 -12.283 1.00 0.00 N ATOM 0 H ASN A 43 20.171 -4.355 -13.719 1.00 0.00 H new ATOM 0 HA ASN A 43 20.097 -5.696 -16.315 1.00 0.00 H new ATOM 0 HB2 ASN A 43 20.174 -7.840 -15.268 1.00 0.00 H new ATOM 0 HB3 ASN A 43 21.586 -6.937 -14.754 1.00 0.00 H new ATOM 0 HD21 ASN A 43 20.790 -7.054 -11.297 1.00 0.00 H new ATOM 0 HD22 ASN A 43 21.924 -6.550 -12.554 1.00 0.00 H new ATOM 698 N ARG A 44 17.780 -4.659 -14.413 1.00 0.00 N ATOM 699 CA ARG A 44 16.333 -4.444 -14.347 1.00 0.00 C ATOM 700 C ARG A 44 15.951 -2.998 -14.649 1.00 0.00 C ATOM 701 O ARG A 44 14.960 -2.784 -15.341 1.00 0.00 O ATOM 702 CB ARG A 44 15.795 -4.872 -12.969 1.00 0.00 C ATOM 703 CG ARG A 44 15.255 -6.312 -12.987 1.00 0.00 C ATOM 704 CD ARG A 44 14.495 -6.670 -11.703 1.00 0.00 C ATOM 705 NE ARG A 44 13.276 -5.853 -11.540 1.00 0.00 N ATOM 706 CZ ARG A 44 12.254 -6.101 -10.717 1.00 0.00 C ATOM 707 NH1 ARG A 44 12.245 -7.189 -9.948 1.00 0.00 N ATOM 708 NH2 ARG A 44 11.239 -5.247 -10.668 1.00 0.00 N ATOM 0 H ARG A 44 18.317 -3.964 -13.895 1.00 0.00 H new ATOM 0 HA ARG A 44 15.874 -5.063 -15.118 1.00 0.00 H new ATOM 0 HB2 ARG A 44 16.590 -4.792 -12.228 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.002 -4.191 -12.661 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.594 -6.438 -13.844 1.00 0.00 H new ATOM 0 HG3 ARG A 44 16.085 -7.006 -13.120 1.00 0.00 H new ATOM 0 HD2 ARG A 44 14.225 -7.726 -11.723 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.148 -6.525 -10.842 1.00 0.00 H new ATOM 0 HE ARG A 44 13.207 -5.013 -12.115 1.00 0.00 H new ATOM 0 HH11 ARG A 44 13.025 -7.845 -9.983 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.458 -7.366 -9.324 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.246 -4.413 -11.255 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.452 -5.425 -10.044 1.00 0.00 H new ATOM 722 N HIS A 45 16.734 -2.027 -14.173 1.00 0.00 N ATOM 723 CA HIS A 45 16.556 -0.575 -14.286 1.00 0.00 C ATOM 724 C HIS A 45 15.267 -0.013 -13.667 1.00 0.00 C ATOM 725 O HIS A 45 15.264 1.152 -13.282 1.00 0.00 O ATOM 726 CB HIS A 45 16.723 -0.094 -15.738 1.00 0.00 C ATOM 727 CG HIS A 45 18.065 -0.419 -16.348 1.00 0.00 C ATOM 728 ND1 HIS A 45 19.137 0.438 -16.460 1.00 0.00 N ATOM 729 CD2 HIS A 45 18.433 -1.602 -16.934 1.00 0.00 C ATOM 730 CE1 HIS A 45 20.124 -0.210 -17.099 1.00 0.00 C ATOM 731 NE2 HIS A 45 19.747 -1.466 -17.404 1.00 0.00 N ATOM 0 H HIS A 45 17.582 -2.255 -13.654 1.00 0.00 H new ATOM 0 HA HIS A 45 17.359 -0.165 -13.674 1.00 0.00 H new ATOM 0 HB2 HIS A 45 15.940 -0.543 -16.350 1.00 0.00 H new ATOM 0 HB3 HIS A 45 16.574 0.985 -15.771 1.00 0.00 H new ATOM 0 HD1 HIS A 45 19.175 1.398 -16.117 1.00 0.00 H new ATOM 0 HD2 HIS A 45 17.818 -2.486 -17.019 1.00 0.00 H new ATOM 0 HE1 HIS A 45 21.087 0.217 -17.336 1.00 0.00 H new ATOM 739 N ASP A 46 14.197 -0.801 -13.521 1.00 0.00 N ATOM 740 CA ASP A 46 12.899 -0.361 -13.009 1.00 0.00 C ATOM 741 C ASP A 46 12.886 -0.213 -11.485 1.00 0.00 C ATOM 742 O ASP A 46 11.922 0.332 -10.940 1.00 0.00 O ATOM 743 CB ASP A 46 11.773 -1.300 -13.470 1.00 0.00 C ATOM 744 CG ASP A 46 11.681 -2.583 -12.635 1.00 0.00 C ATOM 745 OD1 ASP A 46 12.662 -3.354 -12.601 1.00 0.00 O ATOM 746 OD2 ASP A 46 10.623 -2.862 -12.032 1.00 0.00 O ATOM 0 H ASP A 46 14.213 -1.792 -13.764 1.00 0.00 H new ATOM 0 HA ASP A 46 12.722 0.629 -13.429 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.822 -0.770 -13.418 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.933 -1.564 -14.515 1.00 0.00 H new ATOM 751 N ILE A 47 13.954 -0.643 -10.804 1.00 0.00 N ATOM 752 CA ILE A 47 14.185 -0.435 -9.383 1.00 0.00 C ATOM 753 C ILE A 47 15.629 0.040 -9.177 1.00 0.00 C ATOM 754 O ILE A 47 16.497 -0.207 -10.023 1.00 0.00 O ATOM 755 CB ILE A 47 13.833 -1.693 -8.542 1.00 0.00 C ATOM 756 CG1 ILE A 47 14.959 -2.740 -8.392 1.00 0.00 C ATOM 757 CG2 ILE A 47 12.535 -2.369 -9.016 1.00 0.00 C ATOM 758 CD1 ILE A 47 15.386 -3.477 -9.659 1.00 0.00 C ATOM 0 H ILE A 47 14.707 -1.165 -11.252 1.00 0.00 H new ATOM 0 HA ILE A 47 13.513 0.342 -9.019 1.00 0.00 H new ATOM 0 HB ILE A 47 13.685 -1.285 -7.542 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.835 -2.240 -7.978 1.00 0.00 H new ATOM 0 HG13 ILE A 47 14.639 -3.481 -7.659 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.333 -3.243 -8.397 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.707 -1.665 -8.932 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.645 -2.679 -10.055 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.182 -4.182 -9.419 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.534 -4.018 -10.070 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.748 -2.758 -10.394 1.00 0.00 H new ATOM 770 N ALA A 48 15.889 0.716 -8.058 1.00 0.00 N ATOM 771 CA ALA A 48 17.196 1.259 -7.695 1.00 0.00 C ATOM 772 C ALA A 48 17.262 1.470 -6.186 1.00 0.00 C ATOM 773 O ALA A 48 16.265 1.296 -5.484 1.00 0.00 O ATOM 774 CB ALA A 48 17.415 2.608 -8.399 1.00 0.00 C ATOM 0 H ALA A 48 15.172 0.906 -7.358 1.00 0.00 H new ATOM 0 HA ALA A 48 17.970 0.556 -8.004 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.391 3.008 -8.124 1.00 0.00 H new ATOM 0 HB2 ALA A 48 17.372 2.466 -9.479 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.637 3.308 -8.094 1.00 0.00 H new ATOM 780 N PHE A 49 18.417 1.923 -5.705 1.00 0.00 N ATOM 781 CA PHE A 49 18.620 2.379 -4.346 1.00 0.00 C ATOM 782 C PHE A 49 19.267 3.762 -4.407 1.00 0.00 C ATOM 783 O PHE A 49 19.991 4.070 -5.358 1.00 0.00 O ATOM 784 CB PHE A 49 19.511 1.396 -3.571 1.00 0.00 C ATOM 785 CG PHE A 49 18.966 -0.011 -3.386 1.00 0.00 C ATOM 786 CD1 PHE A 49 18.934 -0.916 -4.467 1.00 0.00 C ATOM 787 CD2 PHE A 49 18.533 -0.431 -2.113 1.00 0.00 C ATOM 788 CE1 PHE A 49 18.441 -2.222 -4.291 1.00 0.00 C ATOM 789 CE2 PHE A 49 18.063 -1.745 -1.929 1.00 0.00 C ATOM 790 CZ PHE A 49 18.016 -2.639 -3.017 1.00 0.00 C ATOM 0 H PHE A 49 19.261 1.982 -6.275 1.00 0.00 H new ATOM 0 HA PHE A 49 17.666 2.434 -3.822 1.00 0.00 H new ATOM 0 HB2 PHE A 49 20.470 1.326 -4.085 1.00 0.00 H new ATOM 0 HB3 PHE A 49 19.708 1.818 -2.586 1.00 0.00 H new ATOM 0 HD1 PHE A 49 19.291 -0.604 -5.438 1.00 0.00 H new ATOM 0 HD2 PHE A 49 18.562 0.255 -1.279 1.00 0.00 H new ATOM 0 HE1 PHE A 49 18.389 -2.900 -5.130 1.00 0.00 H new ATOM 0 HE2 PHE A 49 17.738 -2.069 -0.951 1.00 0.00 H new ATOM 0 HZ PHE A 49 17.653 -3.646 -2.872 1.00 0.00 H new ATOM 800 N VAL A 50 19.042 4.582 -3.384 1.00 0.00 N ATOM 801 CA VAL A 50 19.625 5.913 -3.230 1.00 0.00 C ATOM 802 C VAL A 50 20.127 5.996 -1.785 1.00 0.00 C ATOM 803 O VAL A 50 19.560 5.355 -0.899 1.00 0.00 O ATOM 804 CB VAL A 50 18.583 7.006 -3.586 1.00 0.00 C ATOM 805 CG1 VAL A 50 19.197 8.412 -3.582 1.00 0.00 C ATOM 806 CG2 VAL A 50 17.943 6.793 -4.969 1.00 0.00 C ATOM 0 H VAL A 50 18.426 4.329 -2.611 1.00 0.00 H new ATOM 0 HA VAL A 50 20.458 6.084 -3.912 1.00 0.00 H new ATOM 0 HB VAL A 50 17.821 6.921 -2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.431 9.144 -3.837 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.595 8.632 -2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 50 20.002 8.459 -4.315 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.223 7.588 -5.163 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.718 6.811 -5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 50 17.434 5.829 -4.990 1.00 0.00 H new ATOM 816 N GLU A 51 21.189 6.757 -1.529 1.00 0.00 N ATOM 817 CA GLU A 51 21.892 6.789 -0.256 1.00 0.00 C ATOM 818 C GLU A 51 22.169 8.247 0.111 1.00 0.00 C ATOM 819 O GLU A 51 22.455 9.073 -0.763 1.00 0.00 O ATOM 820 CB GLU A 51 23.170 5.945 -0.389 1.00 0.00 C ATOM 821 CG GLU A 51 23.980 5.913 0.911 1.00 0.00 C ATOM 822 CD GLU A 51 25.133 4.895 0.850 1.00 0.00 C ATOM 823 OE1 GLU A 51 24.878 3.671 0.825 1.00 0.00 O ATOM 824 OE2 GLU A 51 26.310 5.321 0.864 1.00 0.00 O ATOM 0 H GLU A 51 21.593 7.385 -2.224 1.00 0.00 H new ATOM 0 HA GLU A 51 21.299 6.360 0.552 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.903 4.927 -0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.788 6.349 -1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.384 6.906 1.111 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.321 5.664 1.742 1.00 0.00 H new ATOM 831 N PHE A 52 22.063 8.549 1.405 1.00 0.00 N ATOM 832 CA PHE A 52 22.067 9.883 1.981 1.00 0.00 C ATOM 833 C PHE A 52 22.987 9.944 3.203 1.00 0.00 C ATOM 834 O PHE A 52 23.410 8.925 3.752 1.00 0.00 O ATOM 835 CB PHE A 52 20.627 10.257 2.381 1.00 0.00 C ATOM 836 CG PHE A 52 19.863 11.010 1.310 1.00 0.00 C ATOM 837 CD1 PHE A 52 19.452 10.366 0.129 1.00 0.00 C ATOM 838 CD2 PHE A 52 19.588 12.379 1.486 1.00 0.00 C ATOM 839 CE1 PHE A 52 18.820 11.100 -0.888 1.00 0.00 C ATOM 840 CE2 PHE A 52 18.947 13.111 0.474 1.00 0.00 C ATOM 841 CZ PHE A 52 18.583 12.474 -0.723 1.00 0.00 C ATOM 0 H PHE A 52 21.967 7.824 2.116 1.00 0.00 H new ATOM 0 HA PHE A 52 22.442 10.592 1.243 1.00 0.00 H new ATOM 0 HB2 PHE A 52 20.082 9.346 2.629 1.00 0.00 H new ATOM 0 HB3 PHE A 52 20.659 10.865 3.285 1.00 0.00 H new ATOM 0 HD1 PHE A 52 19.622 9.307 0.004 1.00 0.00 H new ATOM 0 HD2 PHE A 52 19.872 12.869 2.405 1.00 0.00 H new ATOM 0 HE1 PHE A 52 18.516 10.606 -1.799 1.00 0.00 H new ATOM 0 HE2 PHE A 52 18.735 14.160 0.616 1.00 0.00 H new ATOM 0 HZ PHE A 52 18.120 13.041 -1.517 1.00 0.00 H new ATOM 851 N THR A 53 23.262 11.171 3.634 1.00 0.00 N ATOM 852 CA THR A 53 23.962 11.510 4.861 1.00 0.00 C ATOM 853 C THR A 53 23.124 11.146 6.091 1.00 0.00 C ATOM 854 O THR A 53 23.651 10.534 7.022 1.00 0.00 O ATOM 855 CB THR A 53 24.244 13.026 4.829 1.00 0.00 C ATOM 856 OG1 THR A 53 25.099 13.336 3.743 1.00 0.00 O ATOM 857 CG2 THR A 53 24.865 13.540 6.131 1.00 0.00 C ATOM 0 H THR A 53 22.986 11.998 3.105 1.00 0.00 H new ATOM 0 HA THR A 53 24.893 10.947 4.930 1.00 0.00 H new ATOM 0 HB THR A 53 23.282 13.525 4.708 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.581 13.346 2.911 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.042 14.613 6.051 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.185 13.345 6.960 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.811 13.029 6.310 1.00 0.00 H new ATOM 865 N THR A 54 21.837 11.501 6.098 1.00 0.00 N ATOM 866 CA THR A 54 21.003 11.415 7.285 1.00 0.00 C ATOM 867 C THR A 54 19.591 10.981 6.917 1.00 0.00 C ATOM 868 O THR A 54 19.081 11.278 5.836 1.00 0.00 O ATOM 869 CB THR A 54 20.998 12.771 8.026 1.00 0.00 C ATOM 870 OG1 THR A 54 21.288 13.870 7.171 1.00 0.00 O ATOM 871 CG2 THR A 54 22.029 12.780 9.153 1.00 0.00 C ATOM 0 H THR A 54 21.349 11.856 5.276 1.00 0.00 H new ATOM 0 HA THR A 54 21.416 10.661 7.955 1.00 0.00 H new ATOM 0 HB THR A 54 19.988 12.884 8.419 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.270 14.701 7.689 1.00 0.00 H new ATOM 0 HG21 THR A 54 22.006 13.745 9.659 1.00 0.00 H new ATOM 0 HG22 THR A 54 21.795 11.990 9.867 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.023 12.611 8.738 1.00 0.00 H new ATOM 879 N GLU A 55 18.970 10.286 7.866 1.00 0.00 N ATOM 880 CA GLU A 55 17.673 9.624 7.734 1.00 0.00 C ATOM 881 C GLU A 55 16.549 10.642 7.511 1.00 0.00 C ATOM 882 O GLU A 55 15.561 10.369 6.829 1.00 0.00 O ATOM 883 CB GLU A 55 17.361 8.794 8.995 1.00 0.00 C ATOM 884 CG GLU A 55 18.473 7.841 9.472 1.00 0.00 C ATOM 885 CD GLU A 55 19.399 8.476 10.530 1.00 0.00 C ATOM 886 OE1 GLU A 55 20.204 9.367 10.180 1.00 0.00 O ATOM 887 OE2 GLU A 55 19.332 8.079 11.716 1.00 0.00 O ATOM 0 H GLU A 55 19.376 10.162 8.793 1.00 0.00 H new ATOM 0 HA GLU A 55 17.728 8.966 6.867 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.126 9.481 9.808 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.463 8.206 8.805 1.00 0.00 H new ATOM 0 HG2 GLU A 55 18.019 6.941 9.888 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.070 7.530 8.615 1.00 0.00 H new ATOM 894 N LEU A 56 16.695 11.832 8.099 1.00 0.00 N ATOM 895 CA LEU A 56 15.740 12.919 7.922 1.00 0.00 C ATOM 896 C LEU A 56 15.831 13.458 6.497 1.00 0.00 C ATOM 897 O LEU A 56 14.805 13.809 5.916 1.00 0.00 O ATOM 898 CB LEU A 56 16.013 14.052 8.928 1.00 0.00 C ATOM 899 CG LEU A 56 15.409 13.883 10.338 1.00 0.00 C ATOM 900 CD1 LEU A 56 13.875 13.840 10.313 1.00 0.00 C ATOM 901 CD2 LEU A 56 15.941 12.652 11.081 1.00 0.00 C ATOM 0 H LEU A 56 17.478 12.065 8.709 1.00 0.00 H new ATOM 0 HA LEU A 56 14.737 12.533 8.101 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.092 14.164 9.031 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.635 14.982 8.504 1.00 0.00 H new ATOM 0 HG LEU A 56 15.730 14.769 10.885 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.498 13.720 11.329 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.492 14.769 9.891 1.00 0.00 H new ATOM 0 HD13 LEU A 56 13.544 13.000 9.702 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.476 12.592 12.065 1.00 0.00 H new ATOM 0 HD22 LEU A 56 15.704 11.753 10.512 1.00 0.00 H new ATOM 0 HD23 LEU A 56 17.022 12.735 11.195 1.00 0.00 H new ATOM 913 N GLN A 57 17.037 13.530 5.926 1.00 0.00 N ATOM 914 CA GLN A 57 17.217 14.102 4.599 1.00 0.00 C ATOM 915 C GLN A 57 16.772 13.114 3.521 1.00 0.00 C ATOM 916 O GLN A 57 16.122 13.543 2.565 1.00 0.00 O ATOM 917 CB GLN A 57 18.660 14.582 4.396 1.00 0.00 C ATOM 918 CG GLN A 57 19.006 15.705 5.387 1.00 0.00 C ATOM 919 CD GLN A 57 20.212 16.514 4.922 1.00 0.00 C ATOM 920 OE1 GLN A 57 20.067 17.563 4.300 1.00 0.00 O ATOM 921 NE2 GLN A 57 21.421 16.045 5.180 1.00 0.00 N ATOM 0 H GLN A 57 17.897 13.199 6.364 1.00 0.00 H new ATOM 0 HA GLN A 57 16.580 14.982 4.510 1.00 0.00 H new ATOM 0 HB2 GLN A 57 19.348 13.747 4.531 1.00 0.00 H new ATOM 0 HB3 GLN A 57 18.789 14.940 3.374 1.00 0.00 H new ATOM 0 HG2 GLN A 57 18.147 16.366 5.503 1.00 0.00 H new ATOM 0 HG3 GLN A 57 19.212 15.275 6.367 1.00 0.00 H new ATOM 0 HE21 GLN A 57 21.530 15.173 5.697 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.245 16.555 4.862 1.00 0.00 H new ATOM 930 N SER A 58 17.029 11.810 3.682 1.00 0.00 N ATOM 931 CA SER A 58 16.439 10.816 2.793 1.00 0.00 C ATOM 932 C SER A 58 14.914 10.869 2.892 1.00 0.00 C ATOM 933 O SER A 58 14.250 10.847 1.857 1.00 0.00 O ATOM 934 CB SER A 58 16.956 9.412 3.108 1.00 0.00 C ATOM 935 OG SER A 58 16.950 9.177 4.498 1.00 0.00 O ATOM 0 H SER A 58 17.633 11.428 4.410 1.00 0.00 H new ATOM 0 HA SER A 58 16.735 11.051 1.770 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.335 8.670 2.606 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.968 9.296 2.719 1.00 0.00 H new ATOM 0 HG SER A 58 16.789 8.225 4.668 1.00 0.00 H new ATOM 941 N ASN A 59 14.345 10.995 4.100 1.00 0.00 N ATOM 942 CA ASN A 59 12.896 11.112 4.250 1.00 0.00 C ATOM 943 C ASN A 59 12.355 12.345 3.528 1.00 0.00 C ATOM 944 O ASN A 59 11.369 12.248 2.806 1.00 0.00 O ATOM 945 CB ASN A 59 12.458 11.134 5.718 1.00 0.00 C ATOM 946 CG ASN A 59 10.932 11.172 5.810 1.00 0.00 C ATOM 947 OD1 ASN A 59 10.236 10.363 5.197 1.00 0.00 O ATOM 948 ND2 ASN A 59 10.377 12.103 6.567 1.00 0.00 N ATOM 0 H ASN A 59 14.865 11.018 4.977 1.00 0.00 H new ATOM 0 HA ASN A 59 12.473 10.220 3.789 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.839 10.252 6.233 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.882 12.004 6.219 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.362 12.156 6.648 1.00 0.00 H new ATOM 0 HD22 ASN A 59 10.964 12.768 7.070 1.00 0.00 H new ATOM 955 N ALA A 60 13.009 13.497 3.675 1.00 0.00 N ATOM 956 CA ALA A 60 12.595 14.721 2.994 1.00 0.00 C ATOM 957 C ALA A 60 12.634 14.552 1.474 1.00 0.00 C ATOM 958 O ALA A 60 11.691 14.940 0.787 1.00 0.00 O ATOM 959 CB ALA A 60 13.468 15.895 3.448 1.00 0.00 C ATOM 0 H ALA A 60 13.834 13.607 4.265 1.00 0.00 H new ATOM 0 HA ALA A 60 11.561 14.935 3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.152 16.803 2.935 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.363 16.031 4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.511 15.687 3.208 1.00 0.00 H new ATOM 965 N ALA A 61 13.693 13.934 0.951 1.00 0.00 N ATOM 966 CA ALA A 61 13.823 13.660 -0.474 1.00 0.00 C ATOM 967 C ALA A 61 12.742 12.685 -0.953 1.00 0.00 C ATOM 968 O ALA A 61 12.172 12.868 -2.028 1.00 0.00 O ATOM 969 CB ALA A 61 15.208 13.090 -0.763 1.00 0.00 C ATOM 0 H ALA A 61 14.484 13.610 1.507 1.00 0.00 H new ATOM 0 HA ALA A 61 13.694 14.597 -1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.302 12.886 -1.830 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.968 13.811 -0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.345 12.165 -0.203 1.00 0.00 H new ATOM 975 N LYS A 62 12.436 11.665 -0.146 1.00 0.00 N ATOM 976 CA LYS A 62 11.345 10.731 -0.385 1.00 0.00 C ATOM 977 C LYS A 62 10.036 11.507 -0.509 1.00 0.00 C ATOM 978 O LYS A 62 9.354 11.361 -1.518 1.00 0.00 O ATOM 979 CB LYS A 62 11.354 9.657 0.723 1.00 0.00 C ATOM 980 CG LYS A 62 10.007 8.978 1.006 1.00 0.00 C ATOM 981 CD LYS A 62 10.159 7.967 2.154 1.00 0.00 C ATOM 982 CE LYS A 62 8.823 7.671 2.849 1.00 0.00 C ATOM 983 NZ LYS A 62 8.352 8.801 3.692 1.00 0.00 N ATOM 0 H LYS A 62 12.955 11.466 0.709 1.00 0.00 H new ATOM 0 HA LYS A 62 11.465 10.197 -1.328 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.077 8.888 0.451 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.709 10.117 1.646 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.260 9.728 1.267 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.650 8.472 0.109 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.577 7.039 1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.869 8.355 2.885 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.068 7.446 2.095 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.930 6.781 3.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.623 8.462 4.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.152 9.189 4.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.951 9.544 3.084 1.00 0.00 H new ATOM 997 N GLU A 63 9.695 12.363 0.456 1.00 0.00 N ATOM 998 CA GLU A 63 8.448 13.122 0.401 1.00 0.00 C ATOM 999 C GLU A 63 8.412 14.028 -0.836 1.00 0.00 C ATOM 1000 O GLU A 63 7.358 14.202 -1.450 1.00 0.00 O ATOM 1001 CB GLU A 63 8.257 13.959 1.680 1.00 0.00 C ATOM 1002 CG GLU A 63 8.059 13.133 2.960 1.00 0.00 C ATOM 1003 CD GLU A 63 6.854 12.183 2.873 1.00 0.00 C ATOM 1004 OE1 GLU A 63 5.701 12.632 3.074 1.00 0.00 O ATOM 1005 OE2 GLU A 63 7.060 10.974 2.622 1.00 0.00 O ATOM 0 H GLU A 63 10.264 12.547 1.282 1.00 0.00 H new ATOM 0 HA GLU A 63 7.628 12.408 0.330 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.126 14.604 1.810 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.394 14.611 1.547 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.961 12.553 3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.924 13.808 3.806 1.00 0.00 H new ATOM 1012 N ALA A 64 9.565 14.585 -1.214 1.00 0.00 N ATOM 1013 CA ALA A 64 9.695 15.503 -2.334 1.00 0.00 C ATOM 1014 C ALA A 64 9.521 14.814 -3.696 1.00 0.00 C ATOM 1015 O ALA A 64 8.963 15.431 -4.604 1.00 0.00 O ATOM 1016 CB ALA A 64 11.068 16.170 -2.262 1.00 0.00 C ATOM 0 H ALA A 64 10.448 14.403 -0.737 1.00 0.00 H new ATOM 0 HA ALA A 64 8.897 16.241 -2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.180 16.862 -3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.158 16.716 -1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.846 15.408 -2.315 1.00 0.00 H new ATOM 1022 N LEU A 65 9.991 13.568 -3.855 1.00 0.00 N ATOM 1023 CA LEU A 65 10.071 12.906 -5.165 1.00 0.00 C ATOM 1024 C LEU A 65 9.176 11.671 -5.291 1.00 0.00 C ATOM 1025 O LEU A 65 9.103 11.093 -6.374 1.00 0.00 O ATOM 1026 CB LEU A 65 11.536 12.575 -5.514 1.00 0.00 C ATOM 1027 CG LEU A 65 12.433 13.795 -5.801 1.00 0.00 C ATOM 1028 CD1 LEU A 65 13.856 13.326 -6.119 1.00 0.00 C ATOM 1029 CD2 LEU A 65 11.942 14.646 -6.981 1.00 0.00 C ATOM 0 H LEU A 65 10.325 12.993 -3.082 1.00 0.00 H new ATOM 0 HA LEU A 65 9.683 13.619 -5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.971 12.010 -4.689 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.546 11.923 -6.387 1.00 0.00 H new ATOM 0 HG LEU A 65 12.402 14.413 -4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.488 14.191 -6.321 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.256 12.776 -5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.838 12.677 -6.995 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.618 15.488 -7.129 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.919 14.036 -7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.940 15.019 -6.769 1.00 0.00 H new ATOM 1041 N GLN A 66 8.462 11.264 -4.241 1.00 0.00 N ATOM 1042 CA GLN A 66 7.422 10.242 -4.364 1.00 0.00 C ATOM 1043 C GLN A 66 6.417 10.673 -5.442 1.00 0.00 C ATOM 1044 O GLN A 66 5.835 11.759 -5.358 1.00 0.00 O ATOM 1045 CB GLN A 66 6.732 10.021 -3.006 1.00 0.00 C ATOM 1046 CG GLN A 66 7.472 8.995 -2.134 1.00 0.00 C ATOM 1047 CD GLN A 66 6.959 7.573 -2.340 1.00 0.00 C ATOM 1048 OE1 GLN A 66 6.900 7.070 -3.458 1.00 0.00 O ATOM 1049 NE2 GLN A 66 6.612 6.881 -1.270 1.00 0.00 N ATOM 0 H GLN A 66 8.585 11.627 -3.296 1.00 0.00 H new ATOM 0 HA GLN A 66 7.867 9.293 -4.664 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.671 10.970 -2.473 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.709 9.683 -3.172 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.537 9.030 -2.363 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.362 9.269 -1.085 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.665 7.310 -0.346 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.291 5.918 -1.368 1.00 0.00 H new ATOM 1058 N GLY A 67 6.219 9.826 -6.456 1.00 0.00 N ATOM 1059 CA GLY A 67 5.294 10.060 -7.559 1.00 0.00 C ATOM 1060 C GLY A 67 5.872 10.946 -8.669 1.00 0.00 C ATOM 1061 O GLY A 67 5.131 11.332 -9.575 1.00 0.00 O ATOM 0 H GLY A 67 6.712 8.936 -6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.002 9.101 -7.987 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.388 10.525 -7.170 1.00 0.00 H new ATOM 1065 N PHE A 68 7.161 11.297 -8.622 1.00 0.00 N ATOM 1066 CA PHE A 68 7.781 12.194 -9.592 1.00 0.00 C ATOM 1067 C PHE A 68 8.014 11.442 -10.902 1.00 0.00 C ATOM 1068 O PHE A 68 8.670 10.398 -10.907 1.00 0.00 O ATOM 1069 CB PHE A 68 9.100 12.728 -9.021 1.00 0.00 C ATOM 1070 CG PHE A 68 9.848 13.679 -9.932 1.00 0.00 C ATOM 1071 CD1 PHE A 68 9.576 15.060 -9.888 1.00 0.00 C ATOM 1072 CD2 PHE A 68 10.825 13.187 -10.818 1.00 0.00 C ATOM 1073 CE1 PHE A 68 10.279 15.945 -10.725 1.00 0.00 C ATOM 1074 CE2 PHE A 68 11.522 14.073 -11.659 1.00 0.00 C ATOM 1075 CZ PHE A 68 11.252 15.451 -11.612 1.00 0.00 C ATOM 0 H PHE A 68 7.804 10.963 -7.904 1.00 0.00 H new ATOM 0 HA PHE A 68 7.125 13.041 -9.793 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.892 13.237 -8.080 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.748 11.883 -8.790 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.826 15.440 -9.210 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.039 12.129 -10.852 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.072 17.004 -10.687 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.267 13.693 -12.343 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.791 16.130 -12.256 1.00 0.00 H new ATOM 1085 N LYS A 69 7.497 11.968 -12.017 1.00 0.00 N ATOM 1086 CA LYS A 69 7.765 11.433 -13.355 1.00 0.00 C ATOM 1087 C LYS A 69 9.245 11.598 -13.665 1.00 0.00 C ATOM 1088 O LYS A 69 9.704 12.718 -13.893 1.00 0.00 O ATOM 1089 CB LYS A 69 6.933 12.140 -14.450 1.00 0.00 C ATOM 1090 CG LYS A 69 5.739 11.311 -14.933 1.00 0.00 C ATOM 1091 CD LYS A 69 4.627 11.182 -13.888 1.00 0.00 C ATOM 1092 CE LYS A 69 3.599 10.120 -14.308 1.00 0.00 C ATOM 1093 NZ LYS A 69 2.735 10.544 -15.440 1.00 0.00 N ATOM 0 H LYS A 69 6.879 12.779 -12.016 1.00 0.00 H new ATOM 0 HA LYS A 69 7.480 10.381 -13.356 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.572 13.093 -14.064 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.578 12.364 -15.299 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.330 11.768 -15.834 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.085 10.315 -15.209 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.058 10.915 -12.923 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.130 12.144 -13.759 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.125 9.207 -14.586 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.969 9.877 -13.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.881 9.951 -15.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.461 11.539 -15.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.257 10.439 -16.333 1.00 0.00 H new ATOM 1107 N ILE A 70 9.982 10.490 -13.698 1.00 0.00 N ATOM 1108 CA ILE A 70 11.350 10.511 -14.214 1.00 0.00 C ATOM 1109 C ILE A 70 11.209 10.666 -15.735 1.00 0.00 C ATOM 1110 O ILE A 70 11.871 11.513 -16.337 1.00 0.00 O ATOM 1111 CB ILE A 70 12.118 9.247 -13.800 1.00 0.00 C ATOM 1112 CG1 ILE A 70 12.236 9.177 -12.264 1.00 0.00 C ATOM 1113 CG2 ILE A 70 13.527 9.269 -14.416 1.00 0.00 C ATOM 1114 CD1 ILE A 70 12.811 7.851 -11.767 1.00 0.00 C ATOM 0 H ILE A 70 9.661 9.576 -13.378 1.00 0.00 H new ATOM 0 HA ILE A 70 11.938 11.332 -13.804 1.00 0.00 H new ATOM 0 HB ILE A 70 11.574 8.373 -14.160 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.869 9.994 -11.917 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.251 9.327 -11.823 1.00 0.00 H new ATOM 0 HG21 ILE A 70 14.068 8.370 -14.119 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.449 9.303 -15.503 1.00 0.00 H new ATOM 0 HG23 ILE A 70 14.065 10.149 -14.063 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.869 7.865 -10.679 1.00 0.00 H new ATOM 0 HD12 ILE A 70 12.166 7.032 -12.086 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.809 7.709 -12.181 1.00 0.00 H new ATOM 1126 N THR A 71 10.291 9.903 -16.336 1.00 0.00 N ATOM 1127 CA THR A 71 9.844 10.061 -17.715 1.00 0.00 C ATOM 1128 C THR A 71 8.313 10.012 -17.684 1.00 0.00 C ATOM 1129 O THR A 71 7.772 9.558 -16.671 1.00 0.00 O ATOM 1130 CB THR A 71 10.481 9.001 -18.632 1.00 0.00 C ATOM 1131 OG1 THR A 71 10.250 7.690 -18.161 1.00 0.00 O ATOM 1132 CG2 THR A 71 11.994 9.197 -18.776 1.00 0.00 C ATOM 0 H THR A 71 9.825 9.133 -15.856 1.00 0.00 H new ATOM 0 HA THR A 71 10.164 11.012 -18.140 1.00 0.00 H new ATOM 0 HB THR A 71 10.004 9.131 -19.603 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.668 7.045 -18.770 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.400 8.427 -19.432 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.195 10.180 -19.203 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.465 9.125 -17.796 1.00 0.00 H new ATOM 1140 N PRO A 72 7.596 10.480 -18.727 1.00 0.00 N ATOM 1141 CA PRO A 72 6.145 10.683 -18.716 1.00 0.00 C ATOM 1142 C PRO A 72 5.273 9.544 -18.174 1.00 0.00 C ATOM 1143 O PRO A 72 4.148 9.810 -17.747 1.00 0.00 O ATOM 1144 CB PRO A 72 5.765 11.020 -20.159 1.00 0.00 C ATOM 1145 CG PRO A 72 7.003 11.752 -20.664 1.00 0.00 C ATOM 1146 CD PRO A 72 8.143 11.001 -19.977 1.00 0.00 C ATOM 0 HA PRO A 72 5.937 11.477 -17.999 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.557 10.124 -20.744 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.875 11.647 -20.208 1.00 0.00 H new ATOM 0 HG2 PRO A 72 7.085 11.707 -21.750 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.990 12.807 -20.389 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.511 10.192 -20.608 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.986 11.665 -19.786 1.00 0.00 H new ATOM 1154 N THR A 73 5.761 8.305 -18.152 1.00 0.00 N ATOM 1155 CA THR A 73 5.009 7.115 -17.777 1.00 0.00 C ATOM 1156 C THR A 73 5.645 6.379 -16.586 1.00 0.00 C ATOM 1157 O THR A 73 5.222 5.269 -16.251 1.00 0.00 O ATOM 1158 CB THR A 73 4.862 6.231 -19.034 1.00 0.00 C ATOM 1159 OG1 THR A 73 6.104 6.135 -19.719 1.00 0.00 O ATOM 1160 CG2 THR A 73 3.832 6.820 -20.005 1.00 0.00 C ATOM 0 H THR A 73 6.727 8.098 -18.405 1.00 0.00 H new ATOM 0 HA THR A 73 4.016 7.394 -17.424 1.00 0.00 H new ATOM 0 HB THR A 73 4.533 5.247 -18.701 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.997 5.570 -20.513 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.749 6.177 -20.881 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.863 6.887 -19.511 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.151 7.815 -20.314 1.00 0.00 H new ATOM 1168 N HIS A 74 6.624 6.993 -15.910 1.00 0.00 N ATOM 1169 CA HIS A 74 7.406 6.365 -14.853 1.00 0.00 C ATOM 1170 C HIS A 74 7.493 7.310 -13.662 1.00 0.00 C ATOM 1171 O HIS A 74 8.517 7.956 -13.418 1.00 0.00 O ATOM 1172 CB HIS A 74 8.771 5.919 -15.379 1.00 0.00 C ATOM 1173 CG HIS A 74 8.661 4.912 -16.494 1.00 0.00 C ATOM 1174 ND1 HIS A 74 8.750 5.187 -17.836 1.00 0.00 N ATOM 1175 CD2 HIS A 74 8.421 3.570 -16.368 1.00 0.00 C ATOM 1176 CE1 HIS A 74 8.568 4.039 -18.510 1.00 0.00 C ATOM 1177 NE2 HIS A 74 8.370 3.016 -17.657 1.00 0.00 N ATOM 0 H HIS A 74 6.895 7.959 -16.091 1.00 0.00 H new ATOM 0 HA HIS A 74 6.912 5.456 -14.509 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.322 6.790 -15.734 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.349 5.488 -14.561 1.00 0.00 H new ATOM 0 HD1 HIS A 74 8.924 6.103 -18.249 1.00 0.00 H new ATOM 0 HD2 HIS A 74 8.293 3.032 -15.440 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.579 3.949 -19.586 1.00 0.00 H new ATOM 1185 N ALA A 75 6.362 7.440 -12.966 1.00 0.00 N ATOM 1186 CA ALA A 75 6.293 8.108 -11.676 1.00 0.00 C ATOM 1187 C ALA A 75 7.056 7.225 -10.689 1.00 0.00 C ATOM 1188 O ALA A 75 6.576 6.131 -10.374 1.00 0.00 O ATOM 1189 CB ALA A 75 4.830 8.254 -11.239 1.00 0.00 C ATOM 0 H ALA A 75 5.464 7.080 -13.289 1.00 0.00 H new ATOM 0 HA ALA A 75 6.725 9.108 -11.722 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.787 8.755 -10.272 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.287 8.844 -11.978 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.375 7.267 -11.156 1.00 0.00 H new ATOM 1195 N MET A 76 8.239 7.648 -10.240 1.00 0.00 N ATOM 1196 CA MET A 76 9.010 6.851 -9.297 1.00 0.00 C ATOM 1197 C MET A 76 8.211 6.611 -8.019 1.00 0.00 C ATOM 1198 O MET A 76 7.473 7.486 -7.553 1.00 0.00 O ATOM 1199 CB MET A 76 10.377 7.484 -8.982 1.00 0.00 C ATOM 1200 CG MET A 76 10.388 8.601 -7.929 1.00 0.00 C ATOM 1201 SD MET A 76 12.055 9.138 -7.453 1.00 0.00 S ATOM 1202 CE MET A 76 12.433 10.349 -8.742 1.00 0.00 C ATOM 0 H MET A 76 8.676 8.528 -10.513 1.00 0.00 H new ATOM 0 HA MET A 76 9.208 5.889 -9.770 1.00 0.00 H new ATOM 0 HB2 MET A 76 11.050 6.694 -8.649 1.00 0.00 H new ATOM 0 HB3 MET A 76 10.789 7.884 -9.908 1.00 0.00 H new ATOM 0 HG2 MET A 76 9.836 9.458 -8.315 1.00 0.00 H new ATOM 0 HG3 MET A 76 9.859 8.256 -7.040 1.00 0.00 H new ATOM 0 HE1 MET A 76 13.340 10.050 -9.267 1.00 0.00 H new ATOM 0 HE2 MET A 76 11.604 10.399 -9.448 1.00 0.00 H new ATOM 0 HE3 MET A 76 12.583 11.329 -8.288 1.00 0.00 H new ATOM 1212 N LYS A 77 8.419 5.447 -7.419 1.00 0.00 N ATOM 1213 CA LYS A 77 7.941 5.123 -6.089 1.00 0.00 C ATOM 1214 C LYS A 77 9.183 4.977 -5.227 1.00 0.00 C ATOM 1215 O LYS A 77 10.246 4.607 -5.730 1.00 0.00 O ATOM 1216 CB LYS A 77 7.157 3.812 -6.091 1.00 0.00 C ATOM 1217 CG LYS A 77 5.793 3.889 -6.788 1.00 0.00 C ATOM 1218 CD LYS A 77 4.948 2.636 -6.503 1.00 0.00 C ATOM 1219 CE LYS A 77 5.651 1.329 -6.909 1.00 0.00 C ATOM 1220 NZ LYS A 77 4.850 0.132 -6.561 1.00 0.00 N ATOM 0 H LYS A 77 8.938 4.686 -7.857 1.00 0.00 H new ATOM 0 HA LYS A 77 7.270 5.897 -5.717 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.758 3.045 -6.579 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.007 3.491 -5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.258 4.776 -6.448 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.937 3.996 -7.863 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.711 2.599 -5.440 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.002 2.714 -7.038 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.840 1.338 -7.982 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.621 1.271 -6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.050 -0.629 -7.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.099 -0.186 -5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.838 0.370 -6.595 1.00 0.00 H new ATOM 1234 N ILE A 78 9.050 5.257 -3.939 1.00 0.00 N ATOM 1235 CA ILE A 78 10.152 5.315 -2.994 1.00 0.00 C ATOM 1236 C ILE A 78 9.700 4.583 -1.728 1.00 0.00 C ATOM 1237 O ILE A 78 8.526 4.614 -1.355 1.00 0.00 O ATOM 1238 CB ILE A 78 10.546 6.793 -2.713 1.00 0.00 C ATOM 1239 CG1 ILE A 78 10.593 7.656 -4.006 1.00 0.00 C ATOM 1240 CG2 ILE A 78 11.876 6.870 -1.939 1.00 0.00 C ATOM 1241 CD1 ILE A 78 11.107 9.087 -3.842 1.00 0.00 C ATOM 0 H ILE A 78 8.145 5.456 -3.512 1.00 0.00 H new ATOM 0 HA ILE A 78 11.045 4.833 -3.393 1.00 0.00 H new ATOM 0 HB ILE A 78 9.760 7.217 -2.087 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.223 7.147 -4.735 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.588 7.698 -4.427 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.130 7.914 -1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.774 6.348 -0.988 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.666 6.403 -2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.095 9.591 -4.808 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.467 9.626 -3.143 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.127 9.066 -3.457 1.00 0.00 H new ATOM 1253 N THR A 79 10.655 3.957 -1.056 1.00 0.00 N ATOM 1254 CA THR A 79 10.519 3.266 0.214 1.00 0.00 C ATOM 1255 C THR A 79 11.875 3.396 0.921 1.00 0.00 C ATOM 1256 O THR A 79 12.883 3.689 0.270 1.00 0.00 O ATOM 1257 CB THR A 79 10.130 1.784 -0.021 1.00 0.00 C ATOM 1258 OG1 THR A 79 10.257 1.357 -1.374 1.00 0.00 O ATOM 1259 CG2 THR A 79 8.673 1.537 0.372 1.00 0.00 C ATOM 0 H THR A 79 11.611 3.917 -1.410 1.00 0.00 H new ATOM 0 HA THR A 79 9.729 3.696 0.829 1.00 0.00 H new ATOM 0 HB THR A 79 10.829 1.220 0.596 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.125 1.643 -1.727 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.422 0.491 0.199 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.536 1.773 1.427 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.021 2.171 -0.229 1.00 0.00 H new ATOM 1267 N PHE A 80 11.942 3.190 2.238 1.00 0.00 N ATOM 1268 CA PHE A 80 13.237 3.087 2.899 1.00 0.00 C ATOM 1269 C PHE A 80 13.852 1.738 2.535 1.00 0.00 C ATOM 1270 O PHE A 80 13.133 0.745 2.398 1.00 0.00 O ATOM 1271 CB PHE A 80 13.080 3.252 4.417 1.00 0.00 C ATOM 1272 CG PHE A 80 12.691 4.666 4.804 1.00 0.00 C ATOM 1273 CD1 PHE A 80 13.631 5.706 4.680 1.00 0.00 C ATOM 1274 CD2 PHE A 80 11.381 4.957 5.230 1.00 0.00 C ATOM 1275 CE1 PHE A 80 13.259 7.036 4.944 1.00 0.00 C ATOM 1276 CE2 PHE A 80 11.013 6.282 5.515 1.00 0.00 C ATOM 1277 CZ PHE A 80 11.947 7.321 5.359 1.00 0.00 C ATOM 0 H PHE A 80 11.134 3.094 2.853 1.00 0.00 H new ATOM 0 HA PHE A 80 13.901 3.884 2.564 1.00 0.00 H new ATOM 0 HB2 PHE A 80 12.323 2.557 4.780 1.00 0.00 H new ATOM 0 HB3 PHE A 80 14.017 2.988 4.908 1.00 0.00 H new ATOM 0 HD1 PHE A 80 14.644 5.481 4.380 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.659 4.161 5.338 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.977 7.834 4.828 1.00 0.00 H new ATOM 0 HE2 PHE A 80 10.012 6.503 5.854 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.655 8.342 5.559 1.00 0.00 H new ATOM 1287 N ALA A 81 15.171 1.697 2.356 1.00 0.00 N ATOM 1288 CA ALA A 81 15.894 0.435 2.241 1.00 0.00 C ATOM 1289 C ALA A 81 16.159 -0.061 3.669 1.00 0.00 C ATOM 1290 O ALA A 81 15.982 0.693 4.630 1.00 0.00 O ATOM 1291 CB ALA A 81 17.194 0.634 1.456 1.00 0.00 C ATOM 0 H ALA A 81 15.761 2.526 2.288 1.00 0.00 H new ATOM 0 HA ALA A 81 15.313 -0.307 1.693 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.722 -0.317 1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.963 1.003 0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.824 1.358 1.973 1.00 0.00 H new ATOM 1297 N LYS A 82 16.627 -1.301 3.823 1.00 0.00 N ATOM 1298 CA LYS A 82 16.801 -1.960 5.119 1.00 0.00 C ATOM 1299 C LYS A 82 18.218 -2.530 5.176 1.00 0.00 C ATOM 1300 O LYS A 82 18.423 -3.720 5.429 1.00 0.00 O ATOM 1301 CB LYS A 82 15.678 -2.989 5.380 1.00 0.00 C ATOM 1302 CG LYS A 82 14.270 -2.357 5.404 1.00 0.00 C ATOM 1303 CD LYS A 82 13.527 -2.491 4.065 1.00 0.00 C ATOM 1304 CE LYS A 82 12.222 -1.686 4.066 1.00 0.00 C ATOM 1305 NZ LYS A 82 11.649 -1.587 2.703 1.00 0.00 N ATOM 0 H LYS A 82 16.901 -1.887 3.034 1.00 0.00 H new ATOM 0 HA LYS A 82 16.702 -1.249 5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.711 -3.758 4.608 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.863 -3.486 6.332 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.680 -2.829 6.189 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.356 -1.301 5.661 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.169 -2.145 3.255 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.308 -3.541 3.872 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.501 -2.159 4.732 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.409 -0.686 4.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.750 -1.066 2.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.315 -1.084 2.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.480 -2.542 2.327 1.00 0.00 H new ATOM 1319 N LYS A 83 19.185 -1.641 4.918 1.00 0.00 N ATOM 1320 CA LYS A 83 20.611 -1.932 4.787 1.00 0.00 C ATOM 1321 C LYS A 83 20.799 -3.091 3.800 1.00 0.00 C ATOM 1322 O LYS A 83 21.597 -4.017 4.056 1.00 0.00 O ATOM 1323 CB LYS A 83 21.245 -2.178 6.174 1.00 0.00 C ATOM 1324 CG LYS A 83 20.852 -1.188 7.286 1.00 0.00 C ATOM 1325 CD LYS A 83 21.305 0.263 7.071 1.00 0.00 C ATOM 1326 CE LYS A 83 21.081 1.035 8.382 1.00 0.00 C ATOM 1327 NZ LYS A 83 21.371 2.485 8.259 1.00 0.00 N ATOM 1328 OXT LYS A 83 20.158 -3.055 2.728 1.00 0.00 O ATOM 0 H LYS A 83 18.980 -0.650 4.789 1.00 0.00 H new ATOM 0 HA LYS A 83 21.142 -1.074 4.375 1.00 0.00 H new ATOM 0 HB2 LYS A 83 20.977 -3.183 6.500 1.00 0.00 H new ATOM 0 HB3 LYS A 83 22.329 -2.157 6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 83 19.767 -1.199 7.392 1.00 0.00 H new ATOM 0 HG3 LYS A 83 21.268 -1.544 8.229 1.00 0.00 H new ATOM 0 HD2 LYS A 83 22.357 0.295 6.786 1.00 0.00 H new ATOM 0 HD3 LYS A 83 20.741 0.721 6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 83 20.048 0.903 8.703 1.00 0.00 H new ATOM 0 HE3 LYS A 83 21.713 0.609 9.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 21.435 2.908 9.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 22.274 2.617 7.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 20.608 2.947 7.724 1.00 0.00 H new TER 1342 LYS A 83