USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 788 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 64 ASN :FLIP amide:sc= -1.6 F(o=-4.6!,f=-1.6) USER MOD Set 1.2: A 65 SER OG : rot 180:sc= -0.024 USER MOD Set 2.1: A 17 SER OG : rot 17:sc= -0.729 USER MOD Set 2.2: A 24 THR OG1 : rot 163:sc= -1.34! USER MOD Set 3.1: A 22 GLN : amide:sc= -1.98 K(o=-0.76,f=-6.2!) USER MOD Set 3.2: A 38 SER OG : rot 128:sc= 1.22 USER MOD Set 4.1: A 8 CYS SG : rot -43:sc= -2.9! USER MOD Set 4.2: A 11 GLN :FLIP amide:sc= 0.425 F(o=-3.4,f=-2.5) USER MOD Single : A 1 CYS N :NH3+ -116:sc= -2.61! (180deg=-5.96!) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.0266 USER MOD Single : A 9 ASN :FLIP amide:sc= -2.58 F(o=-6.8!,f=-2.6) USER MOD Single : A 12 THR OG1 : rot 0:sc= 0.615 USER MOD Single : A 16 GLN : amide:sc= -0.09 K(o=-0.09,f=-0.92) USER MOD Single : A 21 TYR OH : rot 57:sc= -1.59! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 175:sc= -0.094 (180deg=-0.182) USER MOD Single : A 33 SER OG : rot 180:sc= -0.395 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot 180:sc= -1.67 USER MOD Single : A 45 SER OG : rot -150:sc= -0.397 USER MOD Single : A 46 GLN : amide:sc= -2.25! C(o=-2.3!,f=-4.2!) USER MOD Single : A 47 SER OG : rot 76:sc= 1.11 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 152:sc= -0.273 (180deg=-1.71) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.171 USER MOD Single : A 59 LYS NZ :NH3+ 156:sc= -3.71! (180deg=-4.97!) USER MOD Single : A 60 GLN : amide:sc=-0.00851 X(o=-0.0085,f=-0.18) USER MOD Single : A 62 CYS SG : rot -80:sc= -3.73! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 137:sc= 0.198 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -145:sc= -2.86 (180deg=-5.99!) USER MOD Single : A 82 CYS SG : rot 180:sc= -0.272 USER MOD Single : A 84 SER OG : rot 180:sc= -0.208 USER MOD Single : A 91 SER OG : rot -61:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -2.697 14.872 -4.978 1.00 0.00 N ATOM 2 CA CYS A 1 -1.265 14.634 -5.321 1.00 0.00 C ATOM 3 C CYS A 1 -0.992 13.151 -5.553 1.00 0.00 C ATOM 4 O CYS A 1 -1.644 12.289 -4.966 1.00 0.00 O ATOM 5 CB CYS A 1 -0.377 15.172 -4.195 1.00 0.00 C ATOM 6 SG CYS A 1 -0.738 14.480 -2.563 1.00 0.00 S ATOM 0 H1 CYS A 1 -3.141 15.448 -5.722 1.00 0.00 H new ATOM 0 H2 CYS A 1 -3.192 13.961 -4.904 1.00 0.00 H new ATOM 0 H3 CYS A 1 -2.757 15.374 -4.069 1.00 0.00 H new ATOM 0 HA CYS A 1 -1.036 15.160 -6.248 1.00 0.00 H new ATOM 0 HB2 CYS A 1 0.665 14.967 -4.441 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -0.486 16.256 -4.149 1.00 0.00 H new ATOM 0 HG CYS A 1 0.068 14.998 -1.684 1.00 0.00 H new ATOM 14 N ILE A 2 -0.035 12.867 -6.428 1.00 0.00 N ATOM 15 CA ILE A 2 0.318 11.495 -6.766 1.00 0.00 C ATOM 16 C ILE A 2 1.141 10.828 -5.672 1.00 0.00 C ATOM 17 O ILE A 2 2.133 11.379 -5.194 1.00 0.00 O ATOM 18 CB ILE A 2 1.091 11.419 -8.100 1.00 0.00 C ATOM 19 CG1 ILE A 2 0.688 12.568 -9.034 1.00 0.00 C ATOM 20 CG2 ILE A 2 0.836 10.082 -8.772 1.00 0.00 C ATOM 21 CD1 ILE A 2 1.655 13.734 -9.017 1.00 0.00 C ATOM 0 H ILE A 2 0.513 13.574 -6.919 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.625 10.958 -6.868 1.00 0.00 H new ATOM 0 HB ILE A 2 2.156 11.514 -7.886 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.610 12.187 -10.052 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.302 12.925 -8.751 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.385 10.037 -9.712 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.170 9.276 -8.118 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -0.230 9.971 -8.969 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.305 14.507 -9.701 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.715 14.142 -8.008 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.642 13.393 -9.330 1.00 0.00 H new ATOM 33 N LEU A 3 0.714 9.626 -5.289 1.00 0.00 N ATOM 34 CA LEU A 3 1.397 8.858 -4.256 1.00 0.00 C ATOM 35 C LEU A 3 1.798 7.475 -4.778 1.00 0.00 C ATOM 36 O LEU A 3 1.276 6.994 -5.794 1.00 0.00 O ATOM 37 CB LEU A 3 0.524 8.740 -3.002 1.00 0.00 C ATOM 38 CG LEU A 3 0.043 10.077 -2.420 1.00 0.00 C ATOM 39 CD1 LEU A 3 -0.646 9.866 -1.080 1.00 0.00 C ATOM 40 CD2 LEU A 3 1.202 11.052 -2.272 1.00 0.00 C ATOM 0 H LEU A 3 -0.106 9.163 -5.682 1.00 0.00 H new ATOM 0 HA LEU A 3 2.309 9.390 -3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.347 8.130 -3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.086 8.208 -2.235 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.679 10.505 -3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.978 10.827 -0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.507 9.211 -1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.053 9.409 -0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.836 11.992 -1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.951 10.628 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.650 11.236 -3.249 1.00 0.00 H new ATOM 52 N ARG A 4 2.739 6.853 -4.072 1.00 0.00 N ATOM 53 CA ARG A 4 3.253 5.534 -4.440 1.00 0.00 C ATOM 54 C ARG A 4 2.660 4.451 -3.563 1.00 0.00 C ATOM 55 O ARG A 4 2.746 4.504 -2.331 1.00 0.00 O ATOM 56 CB ARG A 4 4.781 5.475 -4.305 1.00 0.00 C ATOM 57 CG ARG A 4 5.555 5.995 -5.503 1.00 0.00 C ATOM 58 CD ARG A 4 5.305 7.477 -5.742 1.00 0.00 C ATOM 59 NE ARG A 4 6.045 7.966 -6.901 1.00 0.00 N ATOM 60 CZ ARG A 4 6.264 9.254 -7.154 1.00 0.00 C ATOM 61 NH1 ARG A 4 5.767 10.188 -6.352 1.00 0.00 N ATOM 62 NH2 ARG A 4 6.975 9.606 -8.214 1.00 0.00 N ATOM 0 H ARG A 4 3.166 7.246 -3.233 1.00 0.00 H new ATOM 0 HA ARG A 4 2.968 5.366 -5.479 1.00 0.00 H new ATOM 0 HB2 ARG A 4 5.075 6.048 -3.426 1.00 0.00 H new ATOM 0 HB3 ARG A 4 5.074 4.441 -4.124 1.00 0.00 H new ATOM 0 HG2 ARG A 4 6.621 5.827 -5.347 1.00 0.00 H new ATOM 0 HG3 ARG A 4 5.270 5.431 -6.391 1.00 0.00 H new ATOM 0 HD2 ARG A 4 4.239 7.647 -5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.597 8.043 -4.858 1.00 0.00 H new ATOM 0 HE ARG A 4 6.417 7.279 -7.557 1.00 0.00 H new ATOM 0 HH11 ARG A 4 5.215 9.920 -5.538 1.00 0.00 H new ATOM 0 HH12 ARG A 4 5.938 11.174 -6.550 1.00 0.00 H new ATOM 0 HH21 ARG A 4 7.354 8.891 -8.835 1.00 0.00 H new ATOM 0 HH22 ARG A 4 7.144 10.593 -8.410 1.00 0.00 H new ATOM 76 N PHE A 5 2.098 3.445 -4.194 1.00 0.00 N ATOM 77 CA PHE A 5 1.541 2.344 -3.453 1.00 0.00 C ATOM 78 C PHE A 5 2.242 1.059 -3.817 1.00 0.00 C ATOM 79 O PHE A 5 2.411 0.730 -4.990 1.00 0.00 O ATOM 80 CB PHE A 5 0.029 2.229 -3.711 1.00 0.00 C ATOM 81 CG PHE A 5 -0.348 2.204 -5.159 1.00 0.00 C ATOM 82 CD1 PHE A 5 -0.045 3.255 -6.007 1.00 0.00 C ATOM 83 CD2 PHE A 5 -0.996 1.104 -5.674 1.00 0.00 C ATOM 84 CE1 PHE A 5 -0.377 3.203 -7.345 1.00 0.00 C ATOM 85 CE2 PHE A 5 -1.335 1.055 -7.022 1.00 0.00 C ATOM 86 CZ PHE A 5 -1.023 2.104 -7.851 1.00 0.00 C ATOM 0 H PHE A 5 2.016 3.369 -5.208 1.00 0.00 H new ATOM 0 HA PHE A 5 1.692 2.530 -2.390 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.341 1.321 -3.235 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -0.475 3.068 -3.231 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.458 4.127 -5.616 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.242 0.275 -5.028 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.128 4.029 -7.995 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.845 0.189 -7.418 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.285 2.064 -8.898 1.00 0.00 H new ATOM 96 N ILE A 6 2.624 0.325 -2.788 1.00 0.00 N ATOM 97 CA ILE A 6 3.284 -0.949 -2.973 1.00 0.00 C ATOM 98 C ILE A 6 2.379 -2.031 -2.464 1.00 0.00 C ATOM 99 O ILE A 6 1.865 -1.931 -1.369 1.00 0.00 O ATOM 100 CB ILE A 6 4.596 -0.981 -2.181 1.00 0.00 C ATOM 101 CG1 ILE A 6 5.736 -0.370 -2.996 1.00 0.00 C ATOM 102 CG2 ILE A 6 4.934 -2.388 -1.718 1.00 0.00 C ATOM 103 CD1 ILE A 6 5.292 0.779 -3.875 1.00 0.00 C ATOM 0 H ILE A 6 2.487 0.593 -1.813 1.00 0.00 H new ATOM 0 HA ILE A 6 3.503 -1.098 -4.030 1.00 0.00 H new ATOM 0 HB ILE A 6 4.461 -0.374 -1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.513 -0.020 -2.316 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.184 -1.144 -3.620 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.870 -2.372 -1.160 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.136 -2.762 -1.077 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.039 -3.041 -2.585 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.148 1.167 -4.426 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.537 0.428 -4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.871 1.570 -3.255 1.00 0.00 H new ATOM 115 N ALA A 7 2.139 -3.034 -3.255 1.00 0.00 N ATOM 116 CA ALA A 7 1.213 -4.081 -2.832 1.00 0.00 C ATOM 117 C ALA A 7 1.678 -5.481 -3.122 1.00 0.00 C ATOM 118 O ALA A 7 2.405 -5.730 -4.077 1.00 0.00 O ATOM 119 CB ALA A 7 -0.116 -3.873 -3.495 1.00 0.00 C ATOM 0 H ALA A 7 2.553 -3.163 -4.178 1.00 0.00 H new ATOM 0 HA ALA A 7 1.146 -3.992 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.807 -4.655 -3.179 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.516 -2.899 -3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.007 -3.913 -4.577 1.00 0.00 H new ATOM 125 N CYS A 8 1.242 -6.397 -2.259 1.00 0.00 N ATOM 126 CA CYS A 8 1.593 -7.791 -2.387 1.00 0.00 C ATOM 127 C CYS A 8 3.018 -8.000 -1.863 1.00 0.00 C ATOM 128 O CYS A 8 3.574 -7.120 -1.197 1.00 0.00 O ATOM 129 CB CYS A 8 1.394 -8.266 -3.853 1.00 0.00 C ATOM 130 SG CYS A 8 2.877 -8.412 -4.876 1.00 0.00 S ATOM 0 H CYS A 8 0.641 -6.186 -1.462 1.00 0.00 H new ATOM 0 HA CYS A 8 0.932 -8.411 -1.780 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.901 -9.238 -3.830 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.711 -7.573 -4.344 1.00 0.00 H new ATOM 0 HG CYS A 8 3.646 -7.383 -4.675 1.00 0.00 H new ATOM 136 N ASN A 9 3.590 -9.160 -2.140 1.00 0.00 N ATOM 137 CA ASN A 9 4.939 -9.499 -1.668 1.00 0.00 C ATOM 138 C ASN A 9 5.977 -8.484 -2.159 1.00 0.00 C ATOM 139 O ASN A 9 6.829 -8.029 -1.379 1.00 0.00 O ATOM 140 CB ASN A 9 5.309 -10.912 -2.142 1.00 0.00 C ATOM 141 CG ASN A 9 6.472 -11.544 -1.378 1.00 0.00 C ATOM 142 OD1 ASN A 9 6.666 -11.152 -0.122 1.00 0.00 O flip ATOM 143 ND2 ASN A 9 7.190 -12.383 -1.917 1.00 0.00 N flip ATOM 0 H ASN A 9 3.145 -9.893 -2.692 1.00 0.00 H new ATOM 0 HA ASN A 9 4.939 -9.468 -0.578 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.434 -11.556 -2.048 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.563 -10.873 -3.201 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.013 -12.661 -2.882 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.963 -12.801 -1.399 1.00 0.00 H new ATOM 150 N GLY A 10 5.899 -8.126 -3.452 1.00 0.00 N ATOM 151 CA GLY A 10 6.834 -7.152 -4.005 1.00 0.00 C ATOM 152 C GLY A 10 6.346 -6.510 -5.297 1.00 0.00 C ATOM 153 O GLY A 10 6.721 -6.933 -6.397 1.00 0.00 O ATOM 0 H GLY A 10 5.213 -8.490 -4.114 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.014 -6.372 -3.266 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.790 -7.642 -4.190 1.00 0.00 H new ATOM 157 N GLN A 11 5.513 -5.479 -5.161 1.00 0.00 N ATOM 158 CA GLN A 11 4.977 -4.768 -6.320 1.00 0.00 C ATOM 159 C GLN A 11 4.864 -3.273 -6.026 1.00 0.00 C ATOM 160 O GLN A 11 4.272 -2.887 -5.018 1.00 0.00 O ATOM 161 CB GLN A 11 3.604 -5.330 -6.682 1.00 0.00 C ATOM 162 CG GLN A 11 3.454 -5.695 -8.146 1.00 0.00 C ATOM 163 CD GLN A 11 4.302 -6.888 -8.537 1.00 0.00 C ATOM 164 OE1 GLN A 11 5.185 -6.691 -9.509 1.00 0.00 O flip ATOM 165 NE2 GLN A 11 4.168 -7.975 -7.973 1.00 0.00 N flip ATOM 0 H GLN A 11 5.195 -5.118 -4.261 1.00 0.00 H new ATOM 0 HA GLN A 11 5.658 -4.907 -7.160 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.414 -6.216 -6.076 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.842 -4.596 -6.421 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.407 -5.913 -8.357 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.732 -4.839 -8.761 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.477 -8.083 -7.231 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.748 -8.767 -8.248 1.00 0.00 H new ATOM 174 N THR A 12 5.457 -2.427 -6.877 1.00 0.00 N ATOM 175 CA THR A 12 5.411 -0.984 -6.635 1.00 0.00 C ATOM 176 C THR A 12 4.788 -0.207 -7.791 1.00 0.00 C ATOM 177 O THR A 12 5.198 -0.338 -8.946 1.00 0.00 O ATOM 178 CB THR A 12 6.823 -0.462 -6.386 1.00 0.00 C ATOM 179 OG1 THR A 12 7.526 -0.325 -7.607 1.00 0.00 O ATOM 180 CG2 THR A 12 7.639 -1.352 -5.481 1.00 0.00 C ATOM 0 H THR A 12 5.961 -2.708 -7.718 1.00 0.00 H new ATOM 0 HA THR A 12 4.779 -0.829 -5.760 1.00 0.00 H new ATOM 0 HB THR A 12 6.694 0.502 -5.894 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.948 -0.598 -8.350 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.631 -0.922 -5.346 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.146 -1.437 -4.513 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.730 -2.341 -5.929 1.00 0.00 H new ATOM 188 N ARG A 13 3.816 0.630 -7.449 1.00 0.00 N ATOM 189 CA ARG A 13 3.136 1.483 -8.419 1.00 0.00 C ATOM 190 C ARG A 13 2.707 2.815 -7.787 1.00 0.00 C ATOM 191 O ARG A 13 2.346 2.825 -6.617 1.00 0.00 O ATOM 192 CB ARG A 13 1.926 0.757 -8.980 1.00 0.00 C ATOM 193 CG ARG A 13 1.712 1.019 -10.450 1.00 0.00 C ATOM 194 CD ARG A 13 2.754 0.311 -11.299 1.00 0.00 C ATOM 195 NE ARG A 13 3.087 1.078 -12.497 1.00 0.00 N ATOM 196 CZ ARG A 13 4.159 1.864 -12.606 1.00 0.00 C ATOM 197 NH1 ARG A 13 5.026 1.969 -11.606 1.00 0.00 N ATOM 198 NH2 ARG A 13 4.367 2.543 -13.724 1.00 0.00 N ATOM 0 H ARG A 13 3.477 0.737 -6.493 1.00 0.00 H new ATOM 0 HA ARG A 13 3.833 1.706 -9.226 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.046 -0.315 -8.821 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.037 1.063 -8.429 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.716 0.683 -10.739 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.754 2.092 -10.639 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.656 0.149 -10.708 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.381 -0.672 -11.588 1.00 0.00 H new ATOM 0 HE ARG A 13 2.461 1.008 -13.299 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.876 1.446 -10.744 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.842 2.573 -11.700 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.708 2.464 -14.499 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.186 3.145 -13.810 1.00 0.00 H new ATOM 212 N ALA A 14 2.711 3.937 -8.536 1.00 0.00 N ATOM 213 CA ALA A 14 2.257 5.206 -7.933 1.00 0.00 C ATOM 214 C ALA A 14 1.158 5.926 -8.724 1.00 0.00 C ATOM 215 O ALA A 14 1.354 6.281 -9.887 1.00 0.00 O ATOM 216 CB ALA A 14 3.438 6.140 -7.796 1.00 0.00 C ATOM 0 H ALA A 14 3.007 3.993 -9.510 1.00 0.00 H new ATOM 0 HA ALA A 14 1.826 4.942 -6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.109 7.079 -7.351 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.193 5.681 -7.158 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.864 6.334 -8.780 1.00 0.00 H new ATOM 222 N VAL A 15 -0.022 6.096 -8.110 1.00 0.00 N ATOM 223 CA VAL A 15 -1.169 6.722 -8.784 1.00 0.00 C ATOM 224 C VAL A 15 -1.661 7.991 -8.089 1.00 0.00 C ATOM 225 O VAL A 15 -1.634 8.096 -6.863 1.00 0.00 O ATOM 226 CB VAL A 15 -2.358 5.755 -8.879 1.00 0.00 C ATOM 227 CG1 VAL A 15 -2.030 4.564 -9.770 1.00 0.00 C ATOM 228 CG2 VAL A 15 -2.765 5.313 -7.492 1.00 0.00 C ATOM 0 H VAL A 15 -0.207 5.809 -7.149 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.801 6.984 -9.776 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.199 6.274 -9.339 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.891 3.897 -9.818 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.787 4.916 -10.773 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.177 4.026 -9.358 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.609 4.627 -7.562 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.927 4.810 -7.010 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.053 6.183 -6.903 1.00 0.00 H new ATOM 238 N GLN A 16 -2.125 8.947 -8.896 1.00 0.00 N ATOM 239 CA GLN A 16 -2.651 10.220 -8.390 1.00 0.00 C ATOM 240 C GLN A 16 -3.542 10.011 -7.161 1.00 0.00 C ATOM 241 O GLN A 16 -4.635 9.451 -7.266 1.00 0.00 O ATOM 242 CB GLN A 16 -3.460 10.946 -9.473 1.00 0.00 C ATOM 243 CG GLN A 16 -2.973 10.698 -10.894 1.00 0.00 C ATOM 244 CD GLN A 16 -2.942 11.964 -11.729 1.00 0.00 C ATOM 245 OE1 GLN A 16 -3.679 12.914 -11.464 1.00 0.00 O ATOM 246 NE2 GLN A 16 -2.084 11.982 -12.743 1.00 0.00 N ATOM 0 H GLN A 16 -2.148 8.864 -9.912 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.792 10.828 -8.105 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.502 10.636 -9.400 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.431 12.017 -9.274 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.974 10.264 -10.861 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.622 9.966 -11.374 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.493 11.171 -12.925 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.017 12.807 -13.339 1.00 0.00 H new ATOM 255 N SER A 17 -3.080 10.463 -5.995 1.00 0.00 N ATOM 256 CA SER A 17 -3.851 10.320 -4.758 1.00 0.00 C ATOM 257 C SER A 17 -4.440 11.662 -4.317 1.00 0.00 C ATOM 258 O SER A 17 -4.597 12.575 -5.135 1.00 0.00 O ATOM 259 CB SER A 17 -2.982 9.723 -3.653 1.00 0.00 C ATOM 260 OG SER A 17 -2.271 8.592 -4.125 1.00 0.00 O ATOM 0 H SER A 17 -2.180 10.929 -5.880 1.00 0.00 H new ATOM 0 HA SER A 17 -4.680 9.639 -4.953 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.280 10.474 -3.291 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.607 9.438 -2.807 1.00 0.00 H new ATOM 0 HG SER A 17 -2.276 8.588 -5.105 1.00 0.00 H new ATOM 266 N ARG A 18 -4.788 11.766 -3.032 1.00 0.00 N ATOM 267 CA ARG A 18 -5.403 12.974 -2.470 1.00 0.00 C ATOM 268 C ARG A 18 -6.913 12.857 -2.643 1.00 0.00 C ATOM 269 O ARG A 18 -7.380 11.894 -3.243 1.00 0.00 O ATOM 270 CB ARG A 18 -4.855 14.247 -3.140 1.00 0.00 C ATOM 271 CG ARG A 18 -5.248 15.553 -2.457 1.00 0.00 C ATOM 272 CD ARG A 18 -5.912 16.515 -3.438 1.00 0.00 C ATOM 273 NE ARG A 18 -7.345 16.255 -3.592 1.00 0.00 N ATOM 274 CZ ARG A 18 -8.021 16.430 -4.726 1.00 0.00 C ATOM 275 NH1 ARG A 18 -7.419 16.919 -5.804 1.00 0.00 N ATOM 276 NH2 ARG A 18 -9.311 16.127 -4.778 1.00 0.00 N ATOM 0 H ARG A 18 -4.652 11.018 -2.352 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.158 13.057 -1.411 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.767 14.184 -3.172 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.203 14.275 -4.173 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.929 15.344 -1.632 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.363 16.022 -2.028 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.766 17.539 -3.093 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.424 16.433 -4.409 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.859 15.918 -2.778 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.430 17.164 -5.768 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.946 17.049 -6.668 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.783 15.761 -3.951 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.832 16.260 -5.645 1.00 0.00 H new ATOM 290 N GLY A 19 -7.664 13.829 -2.153 1.00 0.00 N ATOM 291 CA GLY A 19 -9.113 13.807 -2.299 1.00 0.00 C ATOM 292 C GLY A 19 -9.791 12.561 -1.736 1.00 0.00 C ATOM 293 O GLY A 19 -10.834 12.669 -1.094 1.00 0.00 O ATOM 0 H GLY A 19 -7.299 14.640 -1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.528 14.685 -1.804 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.359 13.891 -3.357 1.00 0.00 H new ATOM 297 N ASP A 20 -9.236 11.376 -2.005 1.00 0.00 N ATOM 298 CA ASP A 20 -9.841 10.132 -1.541 1.00 0.00 C ATOM 299 C ASP A 20 -8.853 8.967 -1.606 1.00 0.00 C ATOM 300 O ASP A 20 -8.087 8.837 -2.564 1.00 0.00 O ATOM 301 CB ASP A 20 -11.069 9.818 -2.403 1.00 0.00 C ATOM 302 CG ASP A 20 -10.974 10.445 -3.787 1.00 0.00 C ATOM 303 OD1 ASP A 20 -10.065 10.057 -4.555 1.00 0.00 O ATOM 304 OD2 ASP A 20 -11.804 11.322 -4.101 1.00 0.00 O ATOM 0 H ASP A 20 -8.375 11.256 -2.538 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.134 10.261 -0.499 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.175 8.738 -2.502 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.966 10.182 -1.902 1.00 0.00 H new ATOM 309 N TYR A 21 -8.893 8.113 -0.582 1.00 0.00 N ATOM 310 CA TYR A 21 -8.019 6.943 -0.511 1.00 0.00 C ATOM 311 C TYR A 21 -8.585 5.808 -1.357 1.00 0.00 C ATOM 312 O TYR A 21 -7.860 5.069 -2.026 1.00 0.00 O ATOM 313 CB TYR A 21 -7.866 6.496 0.957 1.00 0.00 C ATOM 314 CG TYR A 21 -8.008 5.007 1.192 1.00 0.00 C ATOM 315 CD1 TYR A 21 -9.252 4.394 1.110 1.00 0.00 C ATOM 316 CD2 TYR A 21 -6.905 4.214 1.486 1.00 0.00 C ATOM 317 CE1 TYR A 21 -9.395 3.039 1.312 1.00 0.00 C ATOM 318 CE2 TYR A 21 -7.037 2.856 1.692 1.00 0.00 C ATOM 319 CZ TYR A 21 -8.286 2.270 1.601 1.00 0.00 C ATOM 320 OH TYR A 21 -8.428 0.918 1.807 1.00 0.00 O ATOM 0 H TYR A 21 -9.525 8.211 0.213 1.00 0.00 H new ATOM 0 HA TYR A 21 -7.037 7.207 -0.904 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.888 6.813 1.317 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.611 7.016 1.559 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -10.123 4.991 0.884 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.928 4.669 1.554 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -10.370 2.580 1.245 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.170 2.255 1.923 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.846 0.509 1.020 1.00 0.00 H new ATOM 330 N GLN A 22 -9.887 5.646 -1.251 1.00 0.00 N ATOM 331 CA GLN A 22 -10.595 4.564 -1.927 1.00 0.00 C ATOM 332 C GLN A 22 -10.335 4.543 -3.439 1.00 0.00 C ATOM 333 O GLN A 22 -10.071 3.483 -3.989 1.00 0.00 O ATOM 334 CB GLN A 22 -12.101 4.640 -1.599 1.00 0.00 C ATOM 335 CG GLN A 22 -13.023 4.835 -2.801 1.00 0.00 C ATOM 336 CD GLN A 22 -13.303 3.543 -3.545 1.00 0.00 C ATOM 337 OE1 GLN A 22 -13.927 2.628 -3.011 1.00 0.00 O ATOM 338 NE2 GLN A 22 -12.845 3.466 -4.788 1.00 0.00 N ATOM 0 H GLN A 22 -10.489 6.255 -0.697 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.204 3.619 -1.550 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.391 3.723 -1.085 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.263 5.461 -0.901 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.966 5.266 -2.463 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -12.572 5.553 -3.486 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.332 4.250 -5.192 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.006 2.623 -5.340 1.00 0.00 H new ATOM 347 N LYS A 23 -10.401 5.688 -4.110 1.00 0.00 N ATOM 348 CA LYS A 23 -10.160 5.730 -5.547 1.00 0.00 C ATOM 349 C LYS A 23 -8.731 5.328 -5.893 1.00 0.00 C ATOM 350 O LYS A 23 -8.513 4.490 -6.765 1.00 0.00 O ATOM 351 CB LYS A 23 -10.437 7.126 -6.075 1.00 0.00 C ATOM 352 CG LYS A 23 -11.745 7.700 -5.568 1.00 0.00 C ATOM 353 CD LYS A 23 -12.619 8.196 -6.706 1.00 0.00 C ATOM 354 CE LYS A 23 -12.818 9.700 -6.639 1.00 0.00 C ATOM 355 NZ LYS A 23 -14.174 10.101 -7.108 1.00 0.00 N ATOM 0 H LYS A 23 -10.617 6.591 -3.687 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.834 5.013 -6.017 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.620 7.787 -5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -10.456 7.100 -7.165 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.282 6.938 -5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.540 8.522 -4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.162 7.930 -7.659 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.588 7.697 -6.666 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.673 10.040 -5.614 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.062 10.194 -7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.271 11.135 -7.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.304 9.799 -8.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.896 9.650 -6.510 1.00 0.00 H new ATOM 369 N THR A 24 -7.765 5.918 -5.211 1.00 0.00 N ATOM 370 CA THR A 24 -6.364 5.596 -5.467 1.00 0.00 C ATOM 371 C THR A 24 -6.094 4.129 -5.154 1.00 0.00 C ATOM 372 O THR A 24 -5.417 3.435 -5.913 1.00 0.00 O ATOM 373 CB THR A 24 -5.434 6.497 -4.642 1.00 0.00 C ATOM 374 OG1 THR A 24 -4.087 6.335 -5.056 1.00 0.00 O ATOM 375 CG2 THR A 24 -5.491 6.237 -3.150 1.00 0.00 C ATOM 0 H THR A 24 -7.918 6.616 -4.483 1.00 0.00 H new ATOM 0 HA THR A 24 -6.161 5.774 -6.523 1.00 0.00 H new ATOM 0 HB THR A 24 -5.790 7.511 -4.822 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.552 7.089 -4.730 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.807 6.912 -2.637 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.506 6.406 -2.790 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.202 5.206 -2.949 1.00 0.00 H new ATOM 383 N LEU A 25 -6.652 3.671 -4.041 1.00 0.00 N ATOM 384 CA LEU A 25 -6.505 2.295 -3.610 1.00 0.00 C ATOM 385 C LEU A 25 -7.272 1.362 -4.559 1.00 0.00 C ATOM 386 O LEU A 25 -6.729 0.381 -5.056 1.00 0.00 O ATOM 387 CB LEU A 25 -6.993 2.209 -2.152 1.00 0.00 C ATOM 388 CG LEU A 25 -7.323 0.827 -1.604 1.00 0.00 C ATOM 389 CD1 LEU A 25 -8.671 0.380 -2.119 1.00 0.00 C ATOM 390 CD2 LEU A 25 -6.243 -0.170 -1.965 1.00 0.00 C ATOM 0 H LEU A 25 -7.217 4.245 -3.416 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.465 1.971 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.227 2.650 -1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.884 2.830 -2.058 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.367 0.882 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.902 -0.609 -1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.436 1.087 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.649 0.340 -3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.502 -1.149 -1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.156 -0.235 -3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.292 0.155 -1.544 1.00 0.00 H new ATOM 402 N ALA A 26 -8.543 1.664 -4.758 1.00 0.00 N ATOM 403 CA ALA A 26 -9.409 0.830 -5.603 1.00 0.00 C ATOM 404 C ALA A 26 -8.861 0.678 -7.025 1.00 0.00 C ATOM 405 O ALA A 26 -8.727 -0.439 -7.557 1.00 0.00 O ATOM 406 CB ALA A 26 -10.814 1.433 -5.668 1.00 0.00 C ATOM 0 H ALA A 26 -9.006 2.477 -4.351 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.442 -0.160 -5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.449 0.809 -6.296 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.235 1.484 -4.664 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.760 2.436 -6.090 1.00 0.00 H new ATOM 412 N ILE A 27 -8.514 1.798 -7.630 1.00 0.00 N ATOM 413 CA ILE A 27 -7.972 1.792 -8.951 1.00 0.00 C ATOM 414 C ILE A 27 -6.558 1.217 -8.943 1.00 0.00 C ATOM 415 O ILE A 27 -6.138 0.580 -9.910 1.00 0.00 O ATOM 416 CB ILE A 27 -8.008 3.192 -9.559 1.00 0.00 C ATOM 417 CG1 ILE A 27 -9.368 3.410 -10.259 1.00 0.00 C ATOM 418 CG2 ILE A 27 -6.832 3.357 -10.482 1.00 0.00 C ATOM 419 CD1 ILE A 27 -9.320 4.176 -11.569 1.00 0.00 C ATOM 0 H ILE A 27 -8.604 2.725 -7.213 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.589 1.150 -9.579 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.922 3.959 -8.789 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.820 2.436 -10.446 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.028 3.941 -9.573 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.851 4.355 -10.920 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.907 3.225 -9.920 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.885 2.611 -11.275 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.328 4.271 -11.972 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.904 5.168 -11.395 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.693 3.640 -12.281 1.00 0.00 H new ATOM 431 N ALA A 28 -5.821 1.445 -7.853 1.00 0.00 N ATOM 432 CA ALA A 28 -4.453 0.944 -7.763 1.00 0.00 C ATOM 433 C ALA A 28 -4.423 -0.551 -8.000 1.00 0.00 C ATOM 434 O ALA A 28 -3.712 -1.028 -8.871 1.00 0.00 O ATOM 435 CB ALA A 28 -3.899 1.233 -6.365 1.00 0.00 C ATOM 0 H ALA A 28 -6.143 1.964 -7.036 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.847 1.441 -8.521 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.877 0.860 -6.294 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.906 2.308 -6.186 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.519 0.737 -5.618 1.00 0.00 H new ATOM 441 N LEU A 29 -5.211 -1.283 -7.232 1.00 0.00 N ATOM 442 CA LEU A 29 -5.239 -2.730 -7.359 1.00 0.00 C ATOM 443 C LEU A 29 -5.766 -3.175 -8.692 1.00 0.00 C ATOM 444 O LEU A 29 -5.388 -4.242 -9.192 1.00 0.00 O ATOM 445 CB LEU A 29 -6.064 -3.413 -6.307 1.00 0.00 C ATOM 446 CG LEU A 29 -5.405 -3.443 -4.960 1.00 0.00 C ATOM 447 CD1 LEU A 29 -4.126 -4.274 -5.026 1.00 0.00 C ATOM 448 CD2 LEU A 29 -5.129 -2.022 -4.515 1.00 0.00 C ATOM 0 H LEU A 29 -5.835 -0.904 -6.520 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.195 -3.020 -7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.024 -2.905 -6.222 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.271 -4.435 -6.625 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.062 -3.912 -4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.652 -4.292 -4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.369 -5.292 -5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.442 -3.832 -5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.650 -2.034 -3.536 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.471 -1.536 -5.235 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.068 -1.471 -4.453 1.00 0.00 H new ATOM 460 N LYS A 30 -6.685 -2.406 -9.272 1.00 0.00 N ATOM 461 CA LYS A 30 -7.256 -2.841 -10.529 1.00 0.00 C ATOM 462 C LYS A 30 -6.138 -3.028 -11.531 1.00 0.00 C ATOM 463 O LYS A 30 -6.007 -4.080 -12.152 1.00 0.00 O ATOM 464 CB LYS A 30 -8.272 -1.778 -11.027 1.00 0.00 C ATOM 465 CG LYS A 30 -7.817 -0.975 -12.237 1.00 0.00 C ATOM 466 CD LYS A 30 -8.977 -0.619 -13.148 1.00 0.00 C ATOM 467 CE LYS A 30 -8.490 0.088 -14.406 1.00 0.00 C ATOM 468 NZ LYS A 30 -9.170 1.398 -14.609 1.00 0.00 N ATOM 0 H LYS A 30 -7.033 -1.519 -8.907 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.782 -3.787 -10.403 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.209 -2.279 -11.273 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.484 -1.088 -10.210 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.324 -0.062 -11.903 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.078 -1.549 -12.797 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.519 -1.524 -13.423 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.678 0.023 -12.615 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.413 0.245 -14.340 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.667 -0.550 -15.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.809 1.846 -15.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.195 1.247 -14.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.981 2.017 -13.795 1.00 0.00 H new ATOM 482 N LYS A 31 -5.302 -2.038 -11.629 1.00 0.00 N ATOM 483 CA LYS A 31 -4.153 -2.116 -12.474 1.00 0.00 C ATOM 484 C LYS A 31 -3.016 -2.925 -11.831 1.00 0.00 C ATOM 485 O LYS A 31 -2.210 -3.534 -12.535 1.00 0.00 O ATOM 486 CB LYS A 31 -3.695 -0.707 -12.826 1.00 0.00 C ATOM 487 CG LYS A 31 -2.590 -0.686 -13.856 1.00 0.00 C ATOM 488 CD LYS A 31 -1.461 0.238 -13.444 1.00 0.00 C ATOM 489 CE LYS A 31 -0.888 -0.155 -12.095 1.00 0.00 C ATOM 490 NZ LYS A 31 -0.001 -1.346 -12.191 1.00 0.00 N ATOM 0 H LYS A 31 -5.399 -1.156 -11.126 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.430 -2.646 -13.385 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.545 -0.138 -13.202 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.351 -0.206 -11.921 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.203 -1.695 -13.995 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.993 -0.364 -14.816 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.674 0.211 -14.197 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.826 1.264 -13.401 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.326 0.683 -11.682 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.703 -0.365 -11.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.435 -1.529 -11.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.561 -2.173 -12.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.743 -1.169 -12.895 1.00 0.00 H new ATOM 504 N PHE A 32 -2.868 -2.788 -10.515 1.00 0.00 N ATOM 505 CA PHE A 32 -1.722 -3.358 -9.806 1.00 0.00 C ATOM 506 C PHE A 32 -1.606 -4.860 -9.508 1.00 0.00 C ATOM 507 O PHE A 32 -0.753 -5.510 -10.119 1.00 0.00 O ATOM 508 CB PHE A 32 -1.803 -2.714 -8.437 1.00 0.00 C ATOM 509 CG PHE A 32 -0.533 -2.440 -7.718 1.00 0.00 C ATOM 510 CD1 PHE A 32 0.671 -2.971 -8.120 1.00 0.00 C ATOM 511 CD2 PHE A 32 -0.580 -1.630 -6.611 1.00 0.00 C ATOM 512 CE1 PHE A 32 1.825 -2.689 -7.414 1.00 0.00 C ATOM 513 CE2 PHE A 32 0.553 -1.338 -5.900 1.00 0.00 C ATOM 514 CZ PHE A 32 1.767 -1.869 -6.299 1.00 0.00 C ATOM 0 H PHE A 32 -3.526 -2.288 -9.917 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.885 -3.178 -10.480 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.337 -1.770 -8.544 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.414 -3.355 -7.802 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.714 -3.610 -8.990 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.526 -1.216 -6.296 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.769 -3.107 -7.731 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.500 -0.697 -5.033 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.666 -1.645 -5.743 1.00 0.00 H new ATOM 524 N SER A 33 -2.507 -5.484 -8.716 1.00 0.00 N ATOM 525 CA SER A 33 -2.478 -6.945 -8.573 1.00 0.00 C ATOM 526 C SER A 33 -3.720 -7.619 -9.170 1.00 0.00 C ATOM 527 O SER A 33 -3.663 -8.638 -9.860 1.00 0.00 O ATOM 528 CB SER A 33 -2.223 -7.372 -7.130 1.00 0.00 C ATOM 529 OG SER A 33 -2.436 -8.767 -6.984 1.00 0.00 O ATOM 0 H SER A 33 -3.238 -5.012 -8.185 1.00 0.00 H new ATOM 0 HA SER A 33 -1.630 -7.298 -9.160 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.201 -7.121 -6.845 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.885 -6.824 -6.459 1.00 0.00 H new ATOM 0 HG SER A 33 -2.268 -9.028 -6.055 1.00 0.00 H new ATOM 535 N LEU A 34 -4.876 -7.038 -8.751 1.00 0.00 N ATOM 536 CA LEU A 34 -6.213 -7.537 -9.055 1.00 0.00 C ATOM 537 C LEU A 34 -7.069 -6.521 -9.822 1.00 0.00 C ATOM 538 O LEU A 34 -6.569 -5.807 -10.688 1.00 0.00 O ATOM 539 CB LEU A 34 -6.888 -7.876 -7.730 1.00 0.00 C ATOM 540 CG LEU A 34 -6.045 -8.719 -6.786 1.00 0.00 C ATOM 541 CD1 LEU A 34 -5.030 -7.864 -6.056 1.00 0.00 C ATOM 542 CD2 LEU A 34 -6.938 -9.422 -5.805 1.00 0.00 C ATOM 0 H LEU A 34 -4.887 -6.192 -8.181 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.119 -8.411 -9.700 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.155 -6.947 -7.226 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.818 -8.406 -7.936 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.500 -9.459 -7.372 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.440 -8.491 -5.387 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.371 -7.384 -6.779 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.548 -7.101 -5.475 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.332 -10.026 -5.129 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.498 -8.685 -5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.633 -10.067 -6.343 1.00 0.00 H new ATOM 554 N GLU A 35 -8.359 -6.454 -9.467 1.00 0.00 N ATOM 555 CA GLU A 35 -9.290 -5.530 -10.073 1.00 0.00 C ATOM 556 C GLU A 35 -10.252 -5.029 -9.001 1.00 0.00 C ATOM 557 O GLU A 35 -10.619 -5.770 -8.085 1.00 0.00 O ATOM 558 CB GLU A 35 -10.063 -6.206 -11.207 1.00 0.00 C ATOM 559 CG GLU A 35 -9.242 -7.229 -11.979 1.00 0.00 C ATOM 560 CD GLU A 35 -9.946 -7.710 -13.231 1.00 0.00 C ATOM 561 OE1 GLU A 35 -11.167 -7.965 -13.164 1.00 0.00 O ATOM 562 OE2 GLU A 35 -9.279 -7.830 -14.281 1.00 0.00 O ATOM 0 H GLU A 35 -8.774 -7.046 -8.748 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.741 -4.690 -10.498 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.944 -6.697 -10.793 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.419 -5.442 -11.898 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.282 -6.790 -12.251 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.030 -8.082 -11.334 1.00 0.00 H new ATOM 569 N ASP A 36 -10.653 -3.775 -9.110 1.00 0.00 N ATOM 570 CA ASP A 36 -11.566 -3.165 -8.131 1.00 0.00 C ATOM 571 C ASP A 36 -11.015 -3.348 -6.714 1.00 0.00 C ATOM 572 O ASP A 36 -11.445 -4.237 -5.976 1.00 0.00 O ATOM 573 CB ASP A 36 -12.957 -3.787 -8.241 1.00 0.00 C ATOM 574 CG ASP A 36 -13.445 -3.886 -9.673 1.00 0.00 C ATOM 575 OD1 ASP A 36 -13.648 -2.828 -10.310 1.00 0.00 O ATOM 576 OD2 ASP A 36 -13.630 -5.021 -10.162 1.00 0.00 O ATOM 0 H ASP A 36 -10.366 -3.150 -9.864 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.645 -2.099 -8.344 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.941 -4.783 -7.798 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.663 -3.192 -7.662 1.00 0.00 H new ATOM 581 N ALA A 37 -10.037 -2.527 -6.370 1.00 0.00 N ATOM 582 CA ALA A 37 -9.376 -2.614 -5.065 1.00 0.00 C ATOM 583 C ALA A 37 -10.243 -2.269 -3.874 1.00 0.00 C ATOM 584 O ALA A 37 -9.856 -2.613 -2.762 1.00 0.00 O ATOM 585 CB ALA A 37 -8.105 -1.828 -4.983 1.00 0.00 C ATOM 0 H ALA A 37 -9.677 -1.788 -6.974 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.147 -3.678 -5.001 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.672 -1.939 -3.989 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.401 -2.196 -5.729 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.316 -0.775 -5.171 1.00 0.00 H new ATOM 591 N SER A 38 -11.226 -1.381 -4.016 1.00 0.00 N ATOM 592 CA SER A 38 -11.869 -0.798 -2.833 1.00 0.00 C ATOM 593 C SER A 38 -12.046 -1.807 -1.715 1.00 0.00 C ATOM 594 O SER A 38 -11.999 -1.410 -0.552 1.00 0.00 O ATOM 595 CB SER A 38 -13.236 -0.230 -3.226 1.00 0.00 C ATOM 596 OG SER A 38 -13.958 0.194 -2.084 1.00 0.00 O ATOM 0 H SER A 38 -11.589 -1.054 -4.911 1.00 0.00 H new ATOM 0 HA SER A 38 -11.217 -0.008 -2.461 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.102 0.610 -3.908 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.808 -0.988 -3.761 1.00 0.00 H new ATOM 0 HG SER A 38 -14.257 1.119 -2.211 1.00 0.00 H new ATOM 602 N LYS A 39 -12.088 -3.094 -2.004 1.00 0.00 N ATOM 603 CA LYS A 39 -12.065 -4.045 -0.915 1.00 0.00 C ATOM 604 C LYS A 39 -10.854 -3.736 -0.052 1.00 0.00 C ATOM 605 O LYS A 39 -10.949 -3.331 1.114 1.00 0.00 O ATOM 606 CB LYS A 39 -11.982 -5.469 -1.443 1.00 0.00 C ATOM 607 CG LYS A 39 -13.081 -6.342 -0.908 1.00 0.00 C ATOM 608 CD LYS A 39 -14.004 -6.844 -2.009 1.00 0.00 C ATOM 609 CE LYS A 39 -14.078 -8.361 -2.025 1.00 0.00 C ATOM 610 NZ LYS A 39 -15.108 -8.879 -1.083 1.00 0.00 N ATOM 0 H LYS A 39 -12.136 -3.491 -2.942 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.982 -3.963 -0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.031 -5.454 -2.532 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.017 -5.898 -1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -12.645 -7.193 -0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.663 -5.783 -0.175 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.003 -6.432 -1.864 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.648 -6.486 -2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.306 -8.702 -3.035 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -13.105 -8.774 -1.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.126 -9.918 -1.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.877 -8.576 -0.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.041 -8.506 -1.350 1.00 0.00 H new ATOM 624 N PHE A 40 -9.732 -3.930 -0.686 1.00 0.00 N ATOM 625 CA PHE A 40 -8.393 -3.715 -0.144 1.00 0.00 C ATOM 626 C PHE A 40 -8.255 -2.604 0.908 1.00 0.00 C ATOM 627 O PHE A 40 -9.134 -1.759 1.094 1.00 0.00 O ATOM 628 CB PHE A 40 -7.461 -3.374 -1.290 1.00 0.00 C ATOM 629 CG PHE A 40 -7.278 -4.460 -2.263 1.00 0.00 C ATOM 630 CD1 PHE A 40 -8.291 -4.833 -3.127 1.00 0.00 C ATOM 631 CD2 PHE A 40 -6.064 -5.091 -2.330 1.00 0.00 C ATOM 632 CE1 PHE A 40 -8.069 -5.826 -4.048 1.00 0.00 C ATOM 633 CE2 PHE A 40 -5.845 -6.080 -3.237 1.00 0.00 C ATOM 634 CZ PHE A 40 -6.843 -6.447 -4.103 1.00 0.00 C ATOM 0 H PHE A 40 -9.711 -4.261 -1.651 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.147 -4.644 0.369 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.848 -2.498 -1.810 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.488 -3.099 -0.882 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -9.253 -4.345 -3.077 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -5.273 -4.800 -1.655 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -8.855 -6.119 -4.728 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -4.886 -6.576 -3.275 1.00 0.00 H new ATOM 0 HZ PHE A 40 -6.666 -7.226 -4.830 1.00 0.00 H new ATOM 644 N ILE A 41 -7.090 -2.621 1.551 1.00 0.00 N ATOM 645 CA ILE A 41 -6.683 -1.649 2.576 1.00 0.00 C ATOM 646 C ILE A 41 -5.218 -1.244 2.342 1.00 0.00 C ATOM 647 O ILE A 41 -4.511 -1.909 1.590 1.00 0.00 O ATOM 648 CB ILE A 41 -6.820 -2.199 4.016 1.00 0.00 C ATOM 649 CG1 ILE A 41 -6.969 -3.731 4.023 1.00 0.00 C ATOM 650 CG2 ILE A 41 -7.996 -1.534 4.702 1.00 0.00 C ATOM 651 CD1 ILE A 41 -8.352 -4.231 3.639 1.00 0.00 C ATOM 0 H ILE A 41 -6.379 -3.330 1.372 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.351 -0.792 2.484 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.908 -1.965 4.566 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.238 -4.158 3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.725 -4.103 5.018 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.092 -1.922 5.716 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.834 -0.457 4.739 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.909 -1.745 4.145 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -8.367 -5.320 3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.089 -3.838 4.340 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -8.594 -3.894 2.631 1.00 0.00 H new ATOM 663 N VAL A 42 -4.768 -0.154 2.966 1.00 0.00 N ATOM 664 CA VAL A 42 -3.391 0.303 2.778 1.00 0.00 C ATOM 665 C VAL A 42 -2.605 0.271 4.103 1.00 0.00 C ATOM 666 O VAL A 42 -3.181 0.454 5.184 1.00 0.00 O ATOM 667 CB VAL A 42 -3.360 1.730 2.168 1.00 0.00 C ATOM 668 CG1 VAL A 42 -1.968 2.352 2.246 1.00 0.00 C ATOM 669 CG2 VAL A 42 -3.840 1.689 0.724 1.00 0.00 C ATOM 0 H VAL A 42 -5.327 0.421 3.596 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.910 -0.383 2.081 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.031 2.357 2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.990 3.350 1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.658 2.420 3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.261 1.731 1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.815 2.694 0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.189 1.036 0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.860 1.307 0.690 1.00 0.00 H new ATOM 679 N CYS A 43 -1.290 -0.012 4.003 1.00 0.00 N ATOM 680 CA CYS A 43 -0.438 -0.094 5.191 1.00 0.00 C ATOM 681 C CYS A 43 0.958 0.498 4.927 1.00 0.00 C ATOM 682 O CYS A 43 1.408 0.557 3.786 1.00 0.00 O ATOM 683 CB CYS A 43 -0.351 -1.550 5.685 1.00 0.00 C ATOM 684 SG CYS A 43 0.990 -2.532 4.963 1.00 0.00 S ATOM 0 H CYS A 43 -0.807 -0.184 3.121 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.892 0.507 5.979 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.231 -1.543 6.768 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.298 -2.046 5.472 1.00 0.00 H new ATOM 0 HG CYS A 43 0.962 -3.734 5.456 1.00 0.00 H new ATOM 690 N VAL A 44 1.651 0.952 5.995 1.00 0.00 N ATOM 691 CA VAL A 44 2.993 1.546 5.866 1.00 0.00 C ATOM 692 C VAL A 44 4.090 0.554 6.263 1.00 0.00 C ATOM 693 O VAL A 44 3.906 -0.266 7.177 1.00 0.00 O ATOM 694 CB VAL A 44 3.151 2.802 6.744 1.00 0.00 C ATOM 695 CG1 VAL A 44 2.547 2.583 8.116 1.00 0.00 C ATOM 696 CG2 VAL A 44 4.611 3.209 6.857 1.00 0.00 C ATOM 0 H VAL A 44 1.301 0.917 6.952 1.00 0.00 H new ATOM 0 HA VAL A 44 3.098 1.816 4.815 1.00 0.00 H new ATOM 0 HB VAL A 44 2.610 3.616 6.261 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.672 3.484 8.716 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.485 2.358 8.014 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.049 1.749 8.606 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.694 4.098 7.482 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.182 2.396 7.306 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.006 3.425 5.864 1.00 0.00 H new ATOM 706 N SER A 45 5.230 0.665 5.559 1.00 0.00 N ATOM 707 CA SER A 45 6.400 -0.196 5.772 1.00 0.00 C ATOM 708 C SER A 45 7.127 0.070 7.095 1.00 0.00 C ATOM 709 O SER A 45 6.960 -0.692 8.049 1.00 0.00 O ATOM 710 CB SER A 45 7.387 -0.039 4.604 1.00 0.00 C ATOM 711 OG SER A 45 7.347 -1.168 3.745 1.00 0.00 O ATOM 0 H SER A 45 5.363 1.359 4.823 1.00 0.00 H new ATOM 0 HA SER A 45 6.022 -1.217 5.821 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.145 0.861 4.038 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.397 0.090 4.993 1.00 0.00 H new ATOM 0 HG SER A 45 8.227 -1.298 3.335 1.00 0.00 H new ATOM 717 N GLN A 46 7.962 1.125 7.159 1.00 0.00 N ATOM 718 CA GLN A 46 8.731 1.439 8.361 1.00 0.00 C ATOM 719 C GLN A 46 9.892 0.457 8.531 1.00 0.00 C ATOM 720 O GLN A 46 11.056 0.855 8.502 1.00 0.00 O ATOM 721 CB GLN A 46 7.826 1.483 9.604 1.00 0.00 C ATOM 722 CG GLN A 46 8.443 0.891 10.862 1.00 0.00 C ATOM 723 CD GLN A 46 9.718 1.592 11.284 1.00 0.00 C ATOM 724 OE1 GLN A 46 10.764 0.961 11.441 1.00 0.00 O ATOM 725 NE2 GLN A 46 9.642 2.904 11.476 1.00 0.00 N ATOM 0 H GLN A 46 8.116 1.771 6.385 1.00 0.00 H new ATOM 0 HA GLN A 46 9.159 2.435 8.245 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.555 2.520 9.802 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.902 0.948 9.383 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.719 0.946 11.675 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.654 -0.165 10.694 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.756 3.390 11.335 1.00 0.00 H new ATOM 0 HE22 GLN A 46 10.470 3.426 11.764 1.00 0.00 H new ATOM 734 N SER A 47 9.557 -0.819 8.698 1.00 0.00 N ATOM 735 CA SER A 47 10.541 -1.893 8.868 1.00 0.00 C ATOM 736 C SER A 47 9.951 -2.967 9.772 1.00 0.00 C ATOM 737 O SER A 47 9.187 -3.822 9.318 1.00 0.00 O ATOM 738 CB SER A 47 11.870 -1.374 9.448 1.00 0.00 C ATOM 739 OG SER A 47 12.759 -0.969 8.421 1.00 0.00 O ATOM 0 H SER A 47 8.590 -1.143 8.720 1.00 0.00 H new ATOM 0 HA SER A 47 10.766 -2.311 7.887 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.675 -0.534 10.114 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.337 -2.155 10.048 1.00 0.00 H new ATOM 0 HG SER A 47 12.477 -0.099 8.068 1.00 0.00 H new ATOM 745 N SER A 48 10.277 -2.903 11.057 1.00 0.00 N ATOM 746 CA SER A 48 9.744 -3.846 12.026 1.00 0.00 C ATOM 747 C SER A 48 8.355 -3.401 12.482 1.00 0.00 C ATOM 748 O SER A 48 7.572 -4.204 12.989 1.00 0.00 O ATOM 749 CB SER A 48 10.679 -3.967 13.230 1.00 0.00 C ATOM 750 OG SER A 48 11.991 -4.313 12.825 1.00 0.00 O ATOM 0 H SER A 48 10.909 -2.206 11.451 1.00 0.00 H new ATOM 0 HA SER A 48 9.665 -4.824 11.550 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.700 -3.023 13.774 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.296 -4.722 13.917 1.00 0.00 H new ATOM 0 HG SER A 48 12.569 -4.382 13.613 1.00 0.00 H new ATOM 756 N ARG A 49 8.065 -2.109 12.309 1.00 0.00 N ATOM 757 CA ARG A 49 6.780 -1.552 12.719 1.00 0.00 C ATOM 758 C ARG A 49 5.869 -1.310 11.520 1.00 0.00 C ATOM 759 O ARG A 49 5.997 -0.306 10.822 1.00 0.00 O ATOM 760 CB ARG A 49 6.993 -0.238 13.477 1.00 0.00 C ATOM 761 CG ARG A 49 6.449 -0.250 14.895 1.00 0.00 C ATOM 762 CD ARG A 49 5.341 0.777 15.075 1.00 0.00 C ATOM 763 NE ARG A 49 4.234 0.251 15.866 1.00 0.00 N ATOM 764 CZ ARG A 49 3.272 -0.526 15.372 1.00 0.00 C ATOM 765 NH1 ARG A 49 3.271 -0.858 14.086 1.00 0.00 N ATOM 766 NH2 ARG A 49 2.308 -0.969 16.166 1.00 0.00 N ATOM 0 H ARG A 49 8.703 -1.433 11.889 1.00 0.00 H new ATOM 0 HA ARG A 49 6.297 -2.278 13.373 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.060 -0.018 13.510 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.517 0.571 12.923 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.068 -1.243 15.131 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.256 -0.043 15.597 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.745 1.665 15.561 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.973 1.089 14.098 1.00 0.00 H new ATOM 0 HE ARG A 49 4.194 0.493 16.856 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.010 -0.517 13.471 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.531 -1.454 13.714 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.304 -0.715 17.154 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.570 -1.564 15.789 1.00 0.00 H new ATOM 780 N ILE A 50 4.933 -2.222 11.305 1.00 0.00 N ATOM 781 CA ILE A 50 3.979 -2.098 10.214 1.00 0.00 C ATOM 782 C ILE A 50 2.698 -1.471 10.736 1.00 0.00 C ATOM 783 O ILE A 50 2.171 -1.899 11.763 1.00 0.00 O ATOM 784 CB ILE A 50 3.668 -3.476 9.589 1.00 0.00 C ATOM 785 CG1 ILE A 50 4.897 -4.000 8.851 1.00 0.00 C ATOM 786 CG2 ILE A 50 2.472 -3.409 8.641 1.00 0.00 C ATOM 787 CD1 ILE A 50 5.798 -4.860 9.709 1.00 0.00 C ATOM 0 H ILE A 50 4.814 -3.060 11.875 1.00 0.00 H new ATOM 0 HA ILE A 50 4.415 -1.465 9.441 1.00 0.00 H new ATOM 0 HB ILE A 50 3.410 -4.161 10.397 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.572 -4.579 7.987 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.470 -3.154 8.471 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.284 -4.397 8.221 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.591 -3.075 9.189 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.686 -2.707 7.835 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.650 -5.196 9.118 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.153 -4.279 10.560 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.241 -5.725 10.068 1.00 0.00 H new ATOM 799 N LYS A 51 2.194 -0.454 10.046 1.00 0.00 N ATOM 800 CA LYS A 51 0.964 0.194 10.506 1.00 0.00 C ATOM 801 C LYS A 51 -0.219 -0.184 9.636 1.00 0.00 C ATOM 802 O LYS A 51 -0.081 -0.390 8.434 1.00 0.00 O ATOM 803 CB LYS A 51 1.103 1.716 10.538 1.00 0.00 C ATOM 804 CG LYS A 51 0.350 2.380 11.684 1.00 0.00 C ATOM 805 CD LYS A 51 0.888 1.957 13.042 1.00 0.00 C ATOM 806 CE LYS A 51 2.234 2.599 13.334 1.00 0.00 C ATOM 807 NZ LYS A 51 2.529 2.624 14.793 1.00 0.00 N ATOM 0 H LYS A 51 2.599 -0.068 9.193 1.00 0.00 H new ATOM 0 HA LYS A 51 0.788 -0.162 11.521 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.160 1.973 10.613 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.742 2.124 9.594 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.424 3.463 11.587 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.708 2.125 11.618 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.176 2.234 13.819 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.987 0.872 13.073 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.019 2.050 12.814 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.244 3.617 12.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.558 2.606 14.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.134 3.490 15.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.100 1.793 15.248 1.00 0.00 H new ATOM 821 N LEU A 52 -1.386 -0.247 10.258 1.00 0.00 N ATOM 822 CA LEU A 52 -2.608 -0.575 9.547 1.00 0.00 C ATOM 823 C LEU A 52 -3.298 0.703 9.127 1.00 0.00 C ATOM 824 O LEU A 52 -3.751 1.485 9.962 1.00 0.00 O ATOM 825 CB LEU A 52 -3.546 -1.418 10.410 1.00 0.00 C ATOM 826 CG LEU A 52 -4.314 -2.506 9.654 1.00 0.00 C ATOM 827 CD1 LEU A 52 -4.981 -1.930 8.413 1.00 0.00 C ATOM 828 CD2 LEU A 52 -3.383 -3.647 9.279 1.00 0.00 C ATOM 0 H LEU A 52 -1.511 -0.075 11.256 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.349 -1.164 8.667 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.963 -1.889 11.202 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.264 -0.756 10.894 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.093 -2.896 10.309 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.521 -2.720 7.891 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.679 -1.145 8.706 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.221 -1.512 7.753 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.943 -4.412 8.742 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.583 -3.270 8.642 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.954 -4.079 10.183 1.00 0.00 H new ATOM 840 N ILE A 53 -3.344 0.923 7.829 1.00 0.00 N ATOM 841 CA ILE A 53 -3.943 2.123 7.295 1.00 0.00 C ATOM 842 C ILE A 53 -5.356 1.872 6.779 1.00 0.00 C ATOM 843 O ILE A 53 -5.563 1.171 5.781 1.00 0.00 O ATOM 844 CB ILE A 53 -3.063 2.714 6.193 1.00 0.00 C ATOM 845 CG1 ILE A 53 -1.585 2.506 6.502 1.00 0.00 C ATOM 846 CG2 ILE A 53 -3.340 4.161 6.052 1.00 0.00 C ATOM 847 CD1 ILE A 53 -0.662 2.945 5.385 1.00 0.00 C ATOM 0 H ILE A 53 -2.973 0.284 7.126 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.019 2.843 8.110 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.296 2.202 5.260 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.331 3.056 7.408 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.412 1.450 6.711 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.710 4.577 5.266 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.389 4.307 5.793 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.125 4.666 6.994 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.373 2.767 5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.887 2.377 4.482 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.806 4.008 5.191 1.00 0.00 H new ATOM 859 N THR A 54 -6.323 2.445 7.500 1.00 0.00 N ATOM 860 CA THR A 54 -7.741 2.299 7.189 1.00 0.00 C ATOM 861 C THR A 54 -8.152 3.057 5.925 1.00 0.00 C ATOM 862 O THR A 54 -7.946 2.561 4.815 1.00 0.00 O ATOM 863 CB THR A 54 -8.574 2.763 8.380 1.00 0.00 C ATOM 864 OG1 THR A 54 -8.125 4.027 8.838 1.00 0.00 O ATOM 865 CG2 THR A 54 -8.523 1.808 9.549 1.00 0.00 C ATOM 0 H THR A 54 -6.140 3.025 8.319 1.00 0.00 H new ATOM 0 HA THR A 54 -7.926 1.243 6.992 1.00 0.00 H new ATOM 0 HB THR A 54 -9.601 2.814 8.018 1.00 0.00 H new ATOM 0 HG1 THR A 54 -8.671 4.311 9.601 1.00 0.00 H new ATOM 0 HG21 THR A 54 -9.136 2.196 10.363 1.00 0.00 H new ATOM 0 HG22 THR A 54 -8.904 0.834 9.240 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.493 1.704 9.889 1.00 0.00 H new ATOM 873 N GLU A 55 -8.764 4.240 6.080 1.00 0.00 N ATOM 874 CA GLU A 55 -9.208 4.987 4.914 1.00 0.00 C ATOM 875 C GLU A 55 -8.905 6.488 4.956 1.00 0.00 C ATOM 876 O GLU A 55 -8.399 7.001 3.957 1.00 0.00 O ATOM 877 CB GLU A 55 -10.699 4.773 4.659 1.00 0.00 C ATOM 878 CG GLU A 55 -11.050 3.348 4.261 1.00 0.00 C ATOM 879 CD GLU A 55 -12.333 3.267 3.453 1.00 0.00 C ATOM 880 OE1 GLU A 55 -12.276 3.500 2.229 1.00 0.00 O ATOM 881 OE2 GLU A 55 -13.390 2.970 4.049 1.00 0.00 O ATOM 0 H GLU A 55 -8.955 4.683 6.979 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.620 4.582 4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.255 5.037 5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.026 5.452 3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.231 2.925 3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.151 2.738 5.159 1.00 0.00 H new ATOM 888 N GLU A 56 -9.165 7.236 6.055 1.00 0.00 N ATOM 889 CA GLU A 56 -8.810 8.652 5.988 1.00 0.00 C ATOM 890 C GLU A 56 -7.299 8.769 6.041 1.00 0.00 C ATOM 891 O GLU A 56 -6.686 9.377 5.162 1.00 0.00 O ATOM 892 CB GLU A 56 -9.449 9.438 7.141 1.00 0.00 C ATOM 893 CG GLU A 56 -10.690 8.782 7.737 1.00 0.00 C ATOM 894 CD GLU A 56 -11.700 8.377 6.679 1.00 0.00 C ATOM 895 OE1 GLU A 56 -12.290 9.277 6.047 1.00 0.00 O ATOM 896 OE2 GLU A 56 -11.898 7.159 6.485 1.00 0.00 O ATOM 0 H GLU A 56 -9.584 6.909 6.925 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.187 9.077 5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.708 9.570 7.930 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.715 10.433 6.783 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.393 7.901 8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.160 9.472 8.438 1.00 0.00 H new ATOM 903 N GLU A 57 -6.701 8.266 7.125 1.00 0.00 N ATOM 904 CA GLU A 57 -5.265 8.345 7.435 1.00 0.00 C ATOM 905 C GLU A 57 -4.320 7.829 6.374 1.00 0.00 C ATOM 906 O GLU A 57 -3.112 8.023 6.505 1.00 0.00 O ATOM 907 CB GLU A 57 -4.947 7.583 8.746 1.00 0.00 C ATOM 908 CG GLU A 57 -6.056 7.541 9.801 1.00 0.00 C ATOM 909 CD GLU A 57 -6.192 8.844 10.566 1.00 0.00 C ATOM 910 OE1 GLU A 57 -6.361 9.898 9.920 1.00 0.00 O ATOM 911 OE2 GLU A 57 -6.129 8.806 11.813 1.00 0.00 O ATOM 0 H GLU A 57 -7.226 7.770 7.845 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.089 9.418 7.515 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.683 6.557 8.488 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.064 8.036 9.198 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.004 7.310 9.315 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.852 6.733 10.503 1.00 0.00 H new ATOM 918 N PHE A 58 -4.797 7.047 5.439 1.00 0.00 N ATOM 919 CA PHE A 58 -3.894 6.374 4.522 1.00 0.00 C ATOM 920 C PHE A 58 -2.791 7.260 3.971 1.00 0.00 C ATOM 921 O PHE A 58 -1.678 6.779 3.805 1.00 0.00 O ATOM 922 CB PHE A 58 -4.711 5.820 3.359 1.00 0.00 C ATOM 923 CG PHE A 58 -4.471 6.521 2.051 1.00 0.00 C ATOM 924 CD1 PHE A 58 -4.971 7.794 1.823 1.00 0.00 C ATOM 925 CD2 PHE A 58 -3.739 5.902 1.053 1.00 0.00 C ATOM 926 CE1 PHE A 58 -4.747 8.433 0.619 1.00 0.00 C ATOM 927 CE2 PHE A 58 -3.511 6.536 -0.150 1.00 0.00 C ATOM 928 CZ PHE A 58 -4.016 7.803 -0.369 1.00 0.00 C ATOM 0 H PHE A 58 -5.788 6.858 5.288 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.398 5.587 5.090 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.481 4.761 3.239 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.770 5.890 3.607 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.541 8.291 2.594 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.342 4.911 1.218 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.143 9.424 0.451 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.938 6.042 -0.921 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.839 8.300 -1.311 1.00 0.00 H new ATOM 938 N LYS A 59 -3.039 8.515 3.732 1.00 0.00 N ATOM 939 CA LYS A 59 -1.957 9.370 3.253 1.00 0.00 C ATOM 940 C LYS A 59 -0.887 9.587 4.341 1.00 0.00 C ATOM 941 O LYS A 59 0.322 9.340 4.133 1.00 0.00 O ATOM 942 CB LYS A 59 -2.525 10.723 2.844 1.00 0.00 C ATOM 943 CG LYS A 59 -1.890 11.311 1.599 1.00 0.00 C ATOM 944 CD LYS A 59 -2.207 12.794 1.483 1.00 0.00 C ATOM 945 CE LYS A 59 -3.384 13.070 0.549 1.00 0.00 C ATOM 946 NZ LYS A 59 -4.271 11.883 0.356 1.00 0.00 N ATOM 0 H LYS A 59 -3.944 8.971 3.851 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.490 8.877 2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.597 10.619 2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.397 11.423 3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.810 11.166 1.633 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.255 10.786 0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.431 13.193 2.472 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.326 13.323 1.118 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.973 13.895 0.951 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.003 13.393 -0.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.221 12.201 0.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.878 11.273 -0.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.333 11.347 1.245 1.00 0.00 H new ATOM 960 N GLN A 60 -1.346 10.035 5.510 1.00 0.00 N ATOM 961 CA GLN A 60 -0.458 10.307 6.634 1.00 0.00 C ATOM 962 C GLN A 60 0.108 9.045 7.237 1.00 0.00 C ATOM 963 O GLN A 60 1.291 8.986 7.568 1.00 0.00 O ATOM 964 CB GLN A 60 -1.200 11.080 7.733 1.00 0.00 C ATOM 965 CG GLN A 60 -1.627 12.479 7.329 1.00 0.00 C ATOM 966 CD GLN A 60 -3.134 12.631 7.279 1.00 0.00 C ATOM 967 OE1 GLN A 60 -3.840 12.261 8.218 1.00 0.00 O ATOM 968 NE2 GLN A 60 -3.636 13.173 6.177 1.00 0.00 N ATOM 0 H GLN A 60 -2.331 10.217 5.701 1.00 0.00 H new ATOM 0 HA GLN A 60 0.365 10.903 6.239 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.083 10.513 8.027 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.558 11.148 8.611 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.215 13.200 8.035 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.208 12.716 6.351 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.014 13.465 5.423 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.644 13.297 6.083 1.00 0.00 H new ATOM 977 N ILE A 61 -0.736 8.046 7.423 1.00 0.00 N ATOM 978 CA ILE A 61 -0.275 6.830 8.042 1.00 0.00 C ATOM 979 C ILE A 61 0.767 6.109 7.207 1.00 0.00 C ATOM 980 O ILE A 61 1.763 5.650 7.770 1.00 0.00 O ATOM 981 CB ILE A 61 -1.422 5.883 8.455 1.00 0.00 C ATOM 982 CG1 ILE A 61 -2.268 6.560 9.534 1.00 0.00 C ATOM 983 CG2 ILE A 61 -0.859 4.577 8.992 1.00 0.00 C ATOM 984 CD1 ILE A 61 -1.529 6.766 10.842 1.00 0.00 C ATOM 0 H ILE A 61 -1.721 8.056 7.159 1.00 0.00 H new ATOM 0 HA ILE A 61 0.212 7.146 8.964 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.039 5.666 7.583 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.610 7.526 9.163 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.157 5.957 9.719 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.679 3.918 9.280 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.260 4.094 8.220 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.235 4.780 9.862 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.190 7.251 11.561 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.210 5.801 11.236 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.655 7.395 10.671 1.00 0.00 H new ATOM 996 N CYS A 62 0.606 5.969 5.886 1.00 0.00 N ATOM 997 CA CYS A 62 1.622 5.269 5.109 1.00 0.00 C ATOM 998 C CYS A 62 2.954 5.997 5.129 1.00 0.00 C ATOM 999 O CYS A 62 4.001 5.371 5.297 1.00 0.00 O ATOM 1000 CB CYS A 62 1.173 5.094 3.651 1.00 0.00 C ATOM 1001 SG CYS A 62 0.850 6.649 2.798 1.00 0.00 S ATOM 0 H CYS A 62 -0.190 6.319 5.352 1.00 0.00 H new ATOM 0 HA CYS A 62 1.751 4.292 5.575 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.942 4.545 3.107 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.270 4.484 3.629 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.327 7.090 3.131 1.00 0.00 H new ATOM 1007 N PHE A 63 2.933 7.314 4.932 1.00 0.00 N ATOM 1008 CA PHE A 63 4.180 8.066 4.914 1.00 0.00 C ATOM 1009 C PHE A 63 4.673 8.439 6.307 1.00 0.00 C ATOM 1010 O PHE A 63 5.804 8.897 6.461 1.00 0.00 O ATOM 1011 CB PHE A 63 4.066 9.285 4.013 1.00 0.00 C ATOM 1012 CG PHE A 63 4.974 9.203 2.805 1.00 0.00 C ATOM 1013 CD1 PHE A 63 5.404 7.969 2.304 1.00 0.00 C ATOM 1014 CD2 PHE A 63 5.418 10.359 2.184 1.00 0.00 C ATOM 1015 CE1 PHE A 63 6.257 7.905 1.213 1.00 0.00 C ATOM 1016 CE2 PHE A 63 6.262 10.298 1.093 1.00 0.00 C ATOM 1017 CZ PHE A 63 6.683 9.074 0.610 1.00 0.00 C ATOM 0 H PHE A 63 2.089 7.868 4.786 1.00 0.00 H new ATOM 0 HA PHE A 63 4.939 7.404 4.497 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.033 9.391 3.680 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.310 10.180 4.586 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.067 7.056 2.773 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.100 11.321 2.558 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.587 6.948 0.836 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.594 11.209 0.616 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.347 9.030 -0.241 1.00 0.00 H new ATOM 1027 N ASN A 64 3.829 8.245 7.315 1.00 0.00 N ATOM 1028 CA ASN A 64 4.186 8.557 8.705 1.00 0.00 C ATOM 1029 C ASN A 64 5.674 8.286 8.995 1.00 0.00 C ATOM 1030 O ASN A 64 6.287 8.967 9.818 1.00 0.00 O ATOM 1031 CB ASN A 64 3.288 7.764 9.667 1.00 0.00 C ATOM 1032 CG ASN A 64 3.834 6.389 10.014 1.00 0.00 C ATOM 1033 OD1 ASN A 64 4.127 5.589 8.995 1.00 0.00 O flip ATOM 1034 ND2 ASN A 64 3.989 6.049 11.187 1.00 0.00 N flip ATOM 0 H ASN A 64 2.887 7.871 7.200 1.00 0.00 H new ATOM 0 HA ASN A 64 4.023 9.623 8.861 1.00 0.00 H new ATOM 0 HB2 ASN A 64 3.158 8.337 10.585 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.300 7.651 9.220 1.00 0.00 H new ATOM 0 HD21 ASN A 64 3.751 6.694 11.941 1.00 0.00 H new ATOM 0 HD22 ASN A 64 4.355 5.122 11.405 1.00 0.00 H new ATOM 1041 N SER A 65 6.250 7.297 8.308 1.00 0.00 N ATOM 1042 CA SER A 65 7.662 6.954 8.488 1.00 0.00 C ATOM 1043 C SER A 65 8.565 8.075 7.947 1.00 0.00 C ATOM 1044 O SER A 65 8.321 9.251 8.214 1.00 0.00 O ATOM 1045 CB SER A 65 7.974 5.621 7.796 1.00 0.00 C ATOM 1046 OG SER A 65 7.054 4.616 8.186 1.00 0.00 O ATOM 0 H SER A 65 5.761 6.721 7.623 1.00 0.00 H new ATOM 0 HA SER A 65 7.862 6.845 9.554 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.937 5.752 6.715 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.988 5.307 8.045 1.00 0.00 H new ATOM 0 HG SER A 65 7.273 3.777 7.730 1.00 0.00 H new ATOM 1052 N SER A 66 9.610 7.714 7.190 1.00 0.00 N ATOM 1053 CA SER A 66 10.531 8.704 6.630 1.00 0.00 C ATOM 1054 C SER A 66 10.474 8.704 5.102 1.00 0.00 C ATOM 1055 O SER A 66 10.570 9.753 4.465 1.00 0.00 O ATOM 1056 CB SER A 66 11.960 8.424 7.099 1.00 0.00 C ATOM 1057 OG SER A 66 12.848 9.439 6.663 1.00 0.00 O ATOM 0 H SER A 66 9.835 6.748 6.954 1.00 0.00 H new ATOM 0 HA SER A 66 10.225 9.688 6.985 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.983 8.359 8.187 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.290 7.459 6.715 1.00 0.00 H new ATOM 0 HG SER A 66 13.754 9.238 6.977 1.00 0.00 H new ATOM 1063 N SER A 67 10.306 7.514 4.525 1.00 0.00 N ATOM 1064 CA SER A 67 10.218 7.350 3.071 1.00 0.00 C ATOM 1065 C SER A 67 11.549 7.599 2.367 1.00 0.00 C ATOM 1066 O SER A 67 11.688 8.565 1.614 1.00 0.00 O ATOM 1067 CB SER A 67 9.153 8.273 2.478 1.00 0.00 C ATOM 1068 OG SER A 67 9.076 8.106 1.073 1.00 0.00 O ATOM 0 H SER A 67 10.227 6.641 5.047 1.00 0.00 H new ATOM 0 HA SER A 67 9.939 6.310 2.902 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.185 8.057 2.929 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.390 9.310 2.714 1.00 0.00 H new ATOM 0 HG SER A 67 8.136 8.082 0.797 1.00 0.00 H new ATOM 1074 N PRO A 68 12.541 6.721 2.568 1.00 0.00 N ATOM 1075 CA PRO A 68 13.832 6.855 1.911 1.00 0.00 C ATOM 1076 C PRO A 68 13.799 6.269 0.493 1.00 0.00 C ATOM 1077 O PRO A 68 13.571 6.996 -0.481 1.00 0.00 O ATOM 1078 CB PRO A 68 14.769 6.064 2.828 1.00 0.00 C ATOM 1079 CG PRO A 68 13.905 5.067 3.543 1.00 0.00 C ATOM 1080 CD PRO A 68 12.469 5.523 3.421 1.00 0.00 C ATOM 0 HA PRO A 68 14.143 7.891 1.779 1.00 0.00 H new ATOM 0 HB2 PRO A 68 15.547 5.563 2.252 1.00 0.00 H new ATOM 0 HB3 PRO A 68 15.271 6.724 3.536 1.00 0.00 H new ATOM 0 HG2 PRO A 68 14.028 4.075 3.109 1.00 0.00 H new ATOM 0 HG3 PRO A 68 14.194 4.994 4.591 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.843 4.752 2.972 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.040 5.754 4.396 1.00 0.00 H new ATOM 1088 N GLU A 69 14.019 4.955 0.388 1.00 0.00 N ATOM 1089 CA GLU A 69 14.012 4.276 -0.905 1.00 0.00 C ATOM 1090 C GLU A 69 12.824 4.729 -1.776 1.00 0.00 C ATOM 1091 O GLU A 69 12.942 5.686 -2.543 1.00 0.00 O ATOM 1092 CB GLU A 69 13.995 2.758 -0.697 1.00 0.00 C ATOM 1093 CG GLU A 69 15.338 2.098 -0.960 1.00 0.00 C ATOM 1094 CD GLU A 69 16.315 2.289 0.184 1.00 0.00 C ATOM 1095 OE1 GLU A 69 16.261 1.494 1.148 1.00 0.00 O ATOM 1096 OE2 GLU A 69 17.128 3.232 0.118 1.00 0.00 O ATOM 0 H GLU A 69 14.204 4.344 1.183 1.00 0.00 H new ATOM 0 HA GLU A 69 14.922 4.548 -1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.687 2.542 0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.247 2.317 -1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.188 1.032 -1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.768 2.509 -1.873 1.00 0.00 H new ATOM 1103 N ARG A 70 11.682 4.044 -1.660 1.00 0.00 N ATOM 1104 CA ARG A 70 10.494 4.389 -2.443 1.00 0.00 C ATOM 1105 C ARG A 70 9.295 3.497 -2.083 1.00 0.00 C ATOM 1106 O ARG A 70 9.170 2.390 -2.613 1.00 0.00 O ATOM 1107 CB ARG A 70 10.798 4.262 -3.941 1.00 0.00 C ATOM 1108 CG ARG A 70 11.594 3.013 -4.309 1.00 0.00 C ATOM 1109 CD ARG A 70 12.635 3.307 -5.381 1.00 0.00 C ATOM 1110 NE ARG A 70 13.296 2.091 -5.861 1.00 0.00 N ATOM 1111 CZ ARG A 70 13.257 1.659 -7.125 1.00 0.00 C ATOM 1112 NH1 ARG A 70 12.572 2.325 -8.049 1.00 0.00 N ATOM 1113 NH2 ARG A 70 13.906 0.554 -7.466 1.00 0.00 N ATOM 0 H ARG A 70 11.556 3.250 -1.033 1.00 0.00 H new ATOM 0 HA ARG A 70 10.231 5.420 -2.205 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.858 4.257 -4.493 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.353 5.143 -4.265 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.087 2.620 -3.420 1.00 0.00 H new ATOM 0 HG3 ARG A 70 10.914 2.239 -4.664 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.157 3.813 -6.220 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.383 3.991 -4.980 1.00 0.00 H new ATOM 0 HE ARG A 70 13.821 1.537 -5.185 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.069 3.176 -7.796 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.550 1.986 -9.011 1.00 0.00 H new ATOM 0 HH21 ARG A 70 14.434 0.035 -6.764 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.877 0.223 -8.430 1.00 0.00 H new ATOM 1127 N ASP A 71 8.406 3.974 -1.195 1.00 0.00 N ATOM 1128 CA ASP A 71 7.231 3.173 -0.817 1.00 0.00 C ATOM 1129 C ASP A 71 6.140 3.980 -0.118 1.00 0.00 C ATOM 1130 O ASP A 71 5.824 3.746 1.050 1.00 0.00 O ATOM 1131 CB ASP A 71 7.651 1.991 0.058 1.00 0.00 C ATOM 1132 CG ASP A 71 6.659 0.847 0.009 1.00 0.00 C ATOM 1133 OD1 ASP A 71 5.449 1.099 0.203 1.00 0.00 O ATOM 1134 OD2 ASP A 71 7.089 -0.304 -0.224 1.00 0.00 O ATOM 0 H ASP A 71 8.474 4.883 -0.737 1.00 0.00 H new ATOM 0 HA ASP A 71 6.799 2.811 -1.750 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.628 1.633 -0.266 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.761 2.328 1.089 1.00 0.00 H new ATOM 1139 N ARG A 72 5.599 4.960 -0.830 1.00 0.00 N ATOM 1140 CA ARG A 72 4.570 5.837 -0.280 1.00 0.00 C ATOM 1141 C ARG A 72 3.399 5.116 0.383 1.00 0.00 C ATOM 1142 O ARG A 72 2.708 5.717 1.192 1.00 0.00 O ATOM 1143 CB ARG A 72 4.055 6.805 -1.337 1.00 0.00 C ATOM 1144 CG ARG A 72 5.111 7.769 -1.864 1.00 0.00 C ATOM 1145 CD ARG A 72 4.483 9.016 -2.466 1.00 0.00 C ATOM 1146 NE ARG A 72 5.197 10.231 -2.083 1.00 0.00 N ATOM 1147 CZ ARG A 72 6.417 10.545 -2.513 1.00 0.00 C ATOM 1148 NH1 ARG A 72 7.079 9.721 -3.316 1.00 0.00 N ATOM 1149 NH2 ARG A 72 6.981 11.683 -2.133 1.00 0.00 N ATOM 0 H ARG A 72 5.856 5.169 -1.795 1.00 0.00 H new ATOM 0 HA ARG A 72 5.071 6.385 0.518 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.651 6.233 -2.172 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.230 7.381 -0.916 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.781 8.054 -1.053 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.718 7.267 -2.617 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.474 8.928 -3.552 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.444 9.090 -2.144 1.00 0.00 H new ATOM 0 HE ARG A 72 4.732 10.879 -1.447 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.653 8.841 -3.607 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.014 9.968 -3.642 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.480 12.318 -1.511 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.916 11.924 -2.462 1.00 0.00 H new ATOM 1163 N LEU A 73 3.213 3.842 0.108 1.00 0.00 N ATOM 1164 CA LEU A 73 2.145 3.098 0.771 1.00 0.00 C ATOM 1165 C LEU A 73 2.148 1.652 0.360 1.00 0.00 C ATOM 1166 O LEU A 73 2.897 1.258 -0.526 1.00 0.00 O ATOM 1167 CB LEU A 73 0.768 3.720 0.516 1.00 0.00 C ATOM 1168 CG LEU A 73 0.155 3.482 -0.857 1.00 0.00 C ATOM 1169 CD1 LEU A 73 -0.570 2.140 -0.901 1.00 0.00 C ATOM 1170 CD2 LEU A 73 -0.793 4.617 -1.216 1.00 0.00 C ATOM 0 H LEU A 73 3.770 3.303 -0.554 1.00 0.00 H new ATOM 0 HA LEU A 73 2.343 3.154 1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.077 3.338 1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.846 4.796 0.672 1.00 0.00 H new ATOM 0 HG LEU A 73 0.958 3.456 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.000 1.991 -1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.136 1.338 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.365 2.131 -0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.224 4.434 -2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.591 4.673 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.244 5.559 -1.230 1.00 0.00 H new ATOM 1182 N ILE A 74 1.326 0.852 1.024 1.00 0.00 N ATOM 1183 CA ILE A 74 1.262 -0.548 0.712 1.00 0.00 C ATOM 1184 C ILE A 74 -0.171 -1.034 0.514 1.00 0.00 C ATOM 1185 O ILE A 74 -1.035 -0.782 1.348 1.00 0.00 O ATOM 1186 CB ILE A 74 1.937 -1.389 1.797 1.00 0.00 C ATOM 1187 CG1 ILE A 74 3.347 -0.872 2.075 1.00 0.00 C ATOM 1188 CG2 ILE A 74 1.975 -2.833 1.360 1.00 0.00 C ATOM 1189 CD1 ILE A 74 4.016 -1.546 3.252 1.00 0.00 C ATOM 0 H ILE A 74 0.704 1.155 1.773 1.00 0.00 H new ATOM 0 HA ILE A 74 1.797 -0.674 -0.229 1.00 0.00 H new ATOM 0 HB ILE A 74 1.364 -1.311 2.721 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.961 -1.018 1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.302 0.201 2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.456 -3.434 2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.958 -3.192 1.201 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.539 -2.917 0.431 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.014 -1.129 3.391 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.424 -1.378 4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.093 -2.617 3.063 1.00 0.00 H new ATOM 1201 N ILE A 75 -0.415 -1.754 -0.582 1.00 0.00 N ATOM 1202 CA ILE A 75 -1.738 -2.284 -0.849 1.00 0.00 C ATOM 1203 C ILE A 75 -1.884 -3.728 -0.388 1.00 0.00 C ATOM 1204 O ILE A 75 -1.006 -4.584 -0.630 1.00 0.00 O ATOM 1205 CB ILE A 75 -2.172 -2.235 -2.295 1.00 0.00 C ATOM 1206 CG1 ILE A 75 -1.799 -0.895 -2.933 1.00 0.00 C ATOM 1207 CG2 ILE A 75 -3.669 -2.520 -2.343 1.00 0.00 C ATOM 1208 CD1 ILE A 75 -2.988 -0.048 -3.301 1.00 0.00 C ATOM 0 H ILE A 75 0.285 -1.978 -1.289 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.381 -1.615 -0.277 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.652 -2.992 -2.882 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.167 -0.337 -2.242 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.206 -1.082 -3.828 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.012 -2.491 -3.377 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.865 -3.507 -1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.202 -1.766 -1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.646 0.886 -3.747 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.610 -0.586 -4.016 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.570 0.170 -2.406 1.00 0.00 H new ATOM 1220 N VAL A 76 -3.016 -3.985 0.257 1.00 0.00 N ATOM 1221 CA VAL A 76 -3.338 -5.320 0.759 1.00 0.00 C ATOM 1222 C VAL A 76 -4.805 -5.690 0.487 1.00 0.00 C ATOM 1223 O VAL A 76 -5.697 -4.852 0.617 1.00 0.00 O ATOM 1224 CB VAL A 76 -3.055 -5.420 2.269 1.00 0.00 C ATOM 1225 CG1 VAL A 76 -1.559 -5.310 2.539 1.00 0.00 C ATOM 1226 CG2 VAL A 76 -3.822 -4.342 3.025 1.00 0.00 C ATOM 0 H VAL A 76 -3.732 -3.283 0.447 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.700 -6.024 0.225 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.394 -6.393 2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.376 -5.383 3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.036 -6.118 2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.193 -4.351 2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.612 -4.426 4.091 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.513 -3.359 2.670 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.891 -4.469 2.855 1.00 0.00 H new ATOM 1236 N PRO A 77 -5.068 -6.959 0.095 1.00 0.00 N ATOM 1237 CA PRO A 77 -6.428 -7.445 -0.207 1.00 0.00 C ATOM 1238 C PRO A 77 -7.303 -7.591 1.043 1.00 0.00 C ATOM 1239 O PRO A 77 -6.944 -8.286 1.991 1.00 0.00 O ATOM 1240 CB PRO A 77 -6.185 -8.815 -0.840 1.00 0.00 C ATOM 1241 CG PRO A 77 -4.872 -9.262 -0.299 1.00 0.00 C ATOM 1242 CD PRO A 77 -4.055 -8.015 -0.091 1.00 0.00 C ATOM 0 HA PRO A 77 -6.966 -6.746 -0.847 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.978 -9.516 -0.580 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.162 -8.749 -1.928 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.001 -9.803 0.638 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.376 -9.941 -0.993 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.404 -8.103 0.779 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.414 -7.809 -0.948 1.00 0.00 H new ATOM 1250 N LYS A 78 -8.461 -6.931 1.021 1.00 0.00 N ATOM 1251 CA LYS A 78 -9.419 -6.969 2.132 1.00 0.00 C ATOM 1252 C LYS A 78 -9.858 -8.381 2.459 1.00 0.00 C ATOM 1253 O LYS A 78 -10.211 -8.699 3.595 1.00 0.00 O ATOM 1254 CB LYS A 78 -10.644 -6.165 1.750 1.00 0.00 C ATOM 1255 CG LYS A 78 -11.701 -6.082 2.840 1.00 0.00 C ATOM 1256 CD LYS A 78 -12.968 -6.825 2.439 1.00 0.00 C ATOM 1257 CE LYS A 78 -13.880 -7.070 3.631 1.00 0.00 C ATOM 1258 NZ LYS A 78 -15.295 -6.715 3.328 1.00 0.00 N ATOM 0 H LYS A 78 -8.763 -6.355 0.235 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.925 -6.553 3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.333 -5.155 1.484 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.091 -6.606 0.859 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.307 -6.503 3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.938 -5.037 3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.503 -6.249 1.684 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.701 -7.779 1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.823 -8.119 3.923 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.532 -6.483 4.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.885 -6.896 4.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.354 -5.708 3.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.635 -7.293 2.533 1.00 0.00 H new ATOM 1272 N GLU A 79 -9.812 -9.220 1.454 1.00 0.00 N ATOM 1273 CA GLU A 79 -10.194 -10.622 1.625 1.00 0.00 C ATOM 1274 C GLU A 79 -9.361 -11.253 2.749 1.00 0.00 C ATOM 1275 O GLU A 79 -9.890 -11.934 3.632 1.00 0.00 O ATOM 1276 CB GLU A 79 -10.026 -11.400 0.321 1.00 0.00 C ATOM 1277 CG GLU A 79 -10.688 -12.766 0.350 1.00 0.00 C ATOM 1278 CD GLU A 79 -11.916 -12.839 -0.538 1.00 0.00 C ATOM 1279 OE1 GLU A 79 -11.759 -13.086 -1.754 1.00 0.00 O ATOM 1280 OE2 GLU A 79 -13.036 -12.645 -0.021 1.00 0.00 O ATOM 0 H GLU A 79 -9.517 -8.970 0.510 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.248 -10.666 1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.446 -10.817 -0.499 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.963 -11.523 0.113 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.969 -13.521 0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.971 -13.007 1.375 1.00 0.00 H new ATOM 1287 N LYS A 80 -8.057 -11.001 2.696 1.00 0.00 N ATOM 1288 CA LYS A 80 -7.107 -11.493 3.671 1.00 0.00 C ATOM 1289 C LYS A 80 -5.837 -10.646 3.594 1.00 0.00 C ATOM 1290 O LYS A 80 -4.814 -11.091 3.073 1.00 0.00 O ATOM 1291 CB LYS A 80 -6.778 -12.960 3.410 1.00 0.00 C ATOM 1292 CG LYS A 80 -7.572 -13.627 2.288 1.00 0.00 C ATOM 1293 CD LYS A 80 -6.653 -14.306 1.281 1.00 0.00 C ATOM 1294 CE LYS A 80 -5.647 -13.330 0.689 1.00 0.00 C ATOM 1295 NZ LYS A 80 -6.251 -11.994 0.425 1.00 0.00 N ATOM 0 H LYS A 80 -7.630 -10.439 1.960 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.542 -11.418 4.668 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.716 -13.039 3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.944 -13.520 4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.255 -14.363 2.712 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.182 -12.881 1.780 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.123 -15.125 1.767 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.250 -14.743 0.481 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.805 -13.218 1.373 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.250 -13.738 -0.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.829 -11.586 -0.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.277 -12.097 0.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.069 -11.365 1.233 1.00 0.00 H new ATOM 1309 N PRO A 81 -5.899 -9.390 4.069 1.00 0.00 N ATOM 1310 CA PRO A 81 -4.767 -8.463 4.001 1.00 0.00 C ATOM 1311 C PRO A 81 -3.775 -8.582 5.155 1.00 0.00 C ATOM 1312 O PRO A 81 -3.698 -9.603 5.838 1.00 0.00 O ATOM 1313 CB PRO A 81 -5.469 -7.111 4.047 1.00 0.00 C ATOM 1314 CG PRO A 81 -6.610 -7.345 4.960 1.00 0.00 C ATOM 1315 CD PRO A 81 -7.089 -8.745 4.668 1.00 0.00 C ATOM 0 HA PRO A 81 -4.151 -8.649 3.122 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.809 -6.329 4.422 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.804 -6.799 3.058 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.304 -7.246 6.002 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.403 -6.617 4.790 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.412 -9.258 5.574 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.936 -8.746 3.982 1.00 0.00 H new ATOM 1323 N CYS A 82 -3.008 -7.509 5.337 1.00 0.00 N ATOM 1324 CA CYS A 82 -1.989 -7.424 6.374 1.00 0.00 C ATOM 1325 C CYS A 82 -1.045 -8.631 6.367 1.00 0.00 C ATOM 1326 O CYS A 82 -0.676 -9.132 7.430 1.00 0.00 O ATOM 1327 CB CYS A 82 -2.641 -7.275 7.749 1.00 0.00 C ATOM 1328 SG CYS A 82 -1.589 -6.468 8.977 1.00 0.00 S ATOM 0 H CYS A 82 -3.079 -6.669 4.763 1.00 0.00 H new ATOM 0 HA CYS A 82 -1.387 -6.541 6.159 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -3.563 -6.703 7.643 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -2.920 -8.263 8.117 1.00 0.00 H new ATOM 0 HG CYS A 82 -2.226 -6.385 10.107 1.00 0.00 H new ATOM 1334 N PRO A 83 -0.615 -9.116 5.180 1.00 0.00 N ATOM 1335 CA PRO A 83 0.300 -10.250 5.081 1.00 0.00 C ATOM 1336 C PRO A 83 1.749 -9.828 5.306 1.00 0.00 C ATOM 1337 O PRO A 83 2.134 -8.701 4.992 1.00 0.00 O ATOM 1338 CB PRO A 83 0.111 -10.757 3.640 1.00 0.00 C ATOM 1339 CG PRO A 83 -0.929 -9.872 3.024 1.00 0.00 C ATOM 1340 CD PRO A 83 -0.954 -8.616 3.845 1.00 0.00 C ATOM 0 HA PRO A 83 0.090 -11.008 5.836 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.046 -10.706 3.083 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.209 -11.799 3.632 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -0.686 -9.652 1.984 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.905 -10.358 3.027 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.231 -7.882 3.489 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -1.932 -8.136 3.826 1.00 0.00 H new ATOM 1348 N SER A 84 2.547 -10.738 5.845 1.00 0.00 N ATOM 1349 CA SER A 84 3.954 -10.467 6.109 1.00 0.00 C ATOM 1350 C SER A 84 4.712 -10.212 4.807 1.00 0.00 C ATOM 1351 O SER A 84 5.712 -9.498 4.786 1.00 0.00 O ATOM 1352 CB SER A 84 4.576 -11.650 6.862 1.00 0.00 C ATOM 1353 OG SER A 84 5.948 -11.813 6.529 1.00 0.00 O ATOM 0 H SER A 84 2.243 -11.675 6.109 1.00 0.00 H new ATOM 0 HA SER A 84 4.027 -9.570 6.724 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.477 -11.492 7.936 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.031 -12.563 6.622 1.00 0.00 H new ATOM 0 HG SER A 84 6.317 -12.573 7.025 1.00 0.00 H new ATOM 1359 N PHE A 85 4.236 -10.817 3.729 1.00 0.00 N ATOM 1360 CA PHE A 85 4.871 -10.683 2.424 1.00 0.00 C ATOM 1361 C PHE A 85 4.969 -9.223 1.974 1.00 0.00 C ATOM 1362 O PHE A 85 5.888 -8.856 1.242 1.00 0.00 O ATOM 1363 CB PHE A 85 4.094 -11.501 1.389 1.00 0.00 C ATOM 1364 CG PHE A 85 4.388 -12.974 1.447 1.00 0.00 C ATOM 1365 CD1 PHE A 85 4.354 -13.656 2.654 1.00 0.00 C ATOM 1366 CD2 PHE A 85 4.699 -13.677 0.295 1.00 0.00 C ATOM 1367 CE1 PHE A 85 4.624 -15.011 2.709 1.00 0.00 C ATOM 1368 CE2 PHE A 85 4.969 -15.031 0.344 1.00 0.00 C ATOM 1369 CZ PHE A 85 4.932 -15.699 1.553 1.00 0.00 C ATOM 0 H PHE A 85 3.406 -11.410 3.732 1.00 0.00 H new ATOM 0 HA PHE A 85 5.889 -11.062 2.510 1.00 0.00 H new ATOM 0 HB2 PHE A 85 3.026 -11.345 1.542 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.331 -11.130 0.392 1.00 0.00 H new ATOM 0 HD1 PHE A 85 4.114 -13.122 3.562 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.731 -13.161 -0.653 1.00 0.00 H new ATOM 0 HE1 PHE A 85 4.594 -15.530 3.655 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.209 -15.567 -0.562 1.00 0.00 H new ATOM 0 HZ PHE A 85 5.144 -16.757 1.593 1.00 0.00 H new ATOM 1379 N GLU A 86 4.018 -8.397 2.398 1.00 0.00 N ATOM 1380 CA GLU A 86 4.005 -6.987 2.013 1.00 0.00 C ATOM 1381 C GLU A 86 5.276 -6.258 2.443 1.00 0.00 C ATOM 1382 O GLU A 86 6.073 -5.830 1.608 1.00 0.00 O ATOM 1383 CB GLU A 86 2.793 -6.280 2.617 1.00 0.00 C ATOM 1384 CG GLU A 86 1.465 -6.888 2.209 1.00 0.00 C ATOM 1385 CD GLU A 86 1.031 -6.473 0.819 1.00 0.00 C ATOM 1386 OE1 GLU A 86 1.629 -5.526 0.267 1.00 0.00 O ATOM 1387 OE2 GLU A 86 0.090 -7.094 0.282 1.00 0.00 O ATOM 0 H GLU A 86 3.248 -8.677 3.006 1.00 0.00 H new ATOM 0 HA GLU A 86 3.950 -6.959 0.925 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.874 -6.303 3.704 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.809 -5.232 2.319 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.540 -7.975 2.252 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.700 -6.593 2.927 1.00 0.00 H new ATOM 1394 N ASP A 87 5.438 -6.089 3.751 1.00 0.00 N ATOM 1395 CA ASP A 87 6.590 -5.377 4.300 1.00 0.00 C ATOM 1396 C ASP A 87 7.873 -6.204 4.240 1.00 0.00 C ATOM 1397 O ASP A 87 8.921 -5.700 3.837 1.00 0.00 O ATOM 1398 CB ASP A 87 6.312 -4.961 5.745 1.00 0.00 C ATOM 1399 CG ASP A 87 5.690 -6.078 6.560 1.00 0.00 C ATOM 1400 OD1 ASP A 87 4.451 -6.234 6.503 1.00 0.00 O ATOM 1401 OD2 ASP A 87 6.438 -6.797 7.255 1.00 0.00 O ATOM 0 H ASP A 87 4.785 -6.436 4.454 1.00 0.00 H new ATOM 0 HA ASP A 87 6.742 -4.493 3.681 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.244 -4.648 6.215 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.647 -4.098 5.750 1.00 0.00 H new ATOM 1406 N LEU A 88 7.797 -7.462 4.657 1.00 0.00 N ATOM 1407 CA LEU A 88 8.971 -8.329 4.660 1.00 0.00 C ATOM 1408 C LEU A 88 9.513 -8.541 3.247 1.00 0.00 C ATOM 1409 O LEU A 88 10.638 -8.151 2.946 1.00 0.00 O ATOM 1410 CB LEU A 88 8.646 -9.670 5.328 1.00 0.00 C ATOM 1411 CG LEU A 88 9.496 -10.018 6.560 1.00 0.00 C ATOM 1412 CD1 LEU A 88 9.686 -8.802 7.459 1.00 0.00 C ATOM 1413 CD2 LEU A 88 8.856 -11.157 7.340 1.00 0.00 C ATOM 0 H LEU A 88 6.942 -7.903 4.995 1.00 0.00 H new ATOM 0 HA LEU A 88 9.751 -7.835 5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.596 -9.665 5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.766 -10.463 4.590 1.00 0.00 H new ATOM 0 HG LEU A 88 10.478 -10.337 6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.291 -9.079 8.322 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.189 -8.012 6.901 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.714 -8.444 7.797 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.470 -11.392 8.210 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.860 -10.859 7.668 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.779 -12.037 6.702 1.00 0.00 H new ATOM 1425 N ARG A 89 8.718 -9.151 2.375 1.00 0.00 N ATOM 1426 CA ARG A 89 9.158 -9.389 1.002 1.00 0.00 C ATOM 1427 C ARG A 89 10.494 -10.133 0.984 1.00 0.00 C ATOM 1428 O ARG A 89 11.431 -9.722 0.302 1.00 0.00 O ATOM 1429 CB ARG A 89 9.293 -8.052 0.264 1.00 0.00 C ATOM 1430 CG ARG A 89 9.626 -8.188 -1.217 1.00 0.00 C ATOM 1431 CD ARG A 89 9.680 -6.837 -1.934 1.00 0.00 C ATOM 1432 NE ARG A 89 9.528 -5.694 -1.029 1.00 0.00 N ATOM 1433 CZ ARG A 89 9.050 -4.509 -1.404 1.00 0.00 C ATOM 1434 NH1 ARG A 89 8.709 -4.287 -2.667 1.00 0.00 N ATOM 1435 NH2 ARG A 89 8.923 -3.537 -0.512 1.00 0.00 N ATOM 0 H ARG A 89 7.778 -9.486 2.588 1.00 0.00 H new ATOM 0 HA ARG A 89 8.414 -10.007 0.499 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.360 -7.498 0.366 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.070 -7.460 0.747 1.00 0.00 H new ATOM 0 HG2 ARG A 89 10.587 -8.691 -1.325 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.879 -8.820 -1.697 1.00 0.00 H new ATOM 0 HD2 ARG A 89 10.630 -6.751 -2.461 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.894 -6.802 -2.688 1.00 0.00 H new ATOM 0 HE ARG A 89 9.805 -5.813 -0.055 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.812 -5.028 -3.361 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.344 -3.376 -2.944 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.191 -3.698 0.459 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.557 -2.628 -0.796 1.00 0.00 H new ATOM 1449 N ARG A 90 10.578 -11.220 1.751 1.00 0.00 N ATOM 1450 CA ARG A 90 11.808 -12.011 1.836 1.00 0.00 C ATOM 1451 C ARG A 90 12.896 -11.220 2.556 1.00 0.00 C ATOM 1452 O ARG A 90 13.358 -11.607 3.631 1.00 0.00 O ATOM 1453 CB ARG A 90 12.286 -12.419 0.436 1.00 0.00 C ATOM 1454 CG ARG A 90 13.553 -13.262 0.441 1.00 0.00 C ATOM 1455 CD ARG A 90 13.357 -14.572 1.187 1.00 0.00 C ATOM 1456 NE ARG A 90 13.206 -15.704 0.276 1.00 0.00 N ATOM 1457 CZ ARG A 90 13.408 -16.973 0.628 1.00 0.00 C ATOM 1458 NH1 ARG A 90 13.774 -17.274 1.869 1.00 0.00 N ATOM 1459 NH2 ARG A 90 13.245 -17.943 -0.261 1.00 0.00 N ATOM 0 H ARG A 90 9.810 -11.574 2.322 1.00 0.00 H new ATOM 0 HA ARG A 90 11.597 -12.916 2.405 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.492 -12.976 -0.061 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.461 -11.520 -0.154 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.855 -13.470 -0.585 1.00 0.00 H new ATOM 0 HG3 ARG A 90 14.363 -12.698 0.904 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.210 -14.746 1.843 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.475 -14.498 1.823 1.00 0.00 H new ATOM 0 HE ARG A 90 12.930 -15.511 -0.687 1.00 0.00 H new ATOM 0 HH11 ARG A 90 13.902 -16.532 2.557 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.927 -18.247 2.134 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.965 -17.718 -1.216 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.400 -18.914 0.010 1.00 0.00 H new ATOM 1473 N SER A 91 13.289 -10.103 1.956 1.00 0.00 N ATOM 1474 CA SER A 91 14.309 -9.230 2.520 1.00 0.00 C ATOM 1475 C SER A 91 14.273 -7.890 1.828 1.00 0.00 C ATOM 1476 O SER A 91 15.310 -7.250 1.637 1.00 0.00 O ATOM 1477 CB SER A 91 15.696 -9.866 2.396 1.00 0.00 C ATOM 1478 OG SER A 91 16.721 -8.920 2.648 1.00 0.00 O ATOM 0 H SER A 91 12.910 -9.778 1.067 1.00 0.00 H new ATOM 0 HA SER A 91 14.101 -9.085 3.580 1.00 0.00 H new ATOM 0 HB2 SER A 91 15.782 -10.695 3.099 1.00 0.00 H new ATOM 0 HB3 SER A 91 15.820 -10.282 1.396 1.00 0.00 H new ATOM 0 HG SER A 91 16.666 -8.195 1.991 1.00 0.00 H new ATOM 1484 N TRP A 92 13.058 -7.471 1.461 1.00 0.00 N ATOM 1485 CA TRP A 92 12.847 -6.200 0.785 1.00 0.00 C ATOM 1486 C TRP A 92 14.172 -5.541 0.452 1.00 0.00 C ATOM 1487 O TRP A 92 14.628 -4.646 1.165 1.00 0.00 O ATOM 1488 CB TRP A 92 12.004 -5.263 1.653 1.00 0.00 C ATOM 1489 CG TRP A 92 12.460 -5.173 3.080 1.00 0.00 C ATOM 1490 CD1 TRP A 92 12.462 -6.174 4.009 1.00 0.00 C ATOM 1491 CD2 TRP A 92 12.972 -4.011 3.746 1.00 0.00 C ATOM 1492 NE1 TRP A 92 12.936 -5.706 5.210 1.00 0.00 N ATOM 1493 CE2 TRP A 92 13.256 -4.382 5.073 1.00 0.00 C ATOM 1494 CE3 TRP A 92 13.215 -2.693 3.348 1.00 0.00 C ATOM 1495 CZ2 TRP A 92 13.773 -3.483 6.004 1.00 0.00 C ATOM 1496 CZ3 TRP A 92 13.729 -1.802 4.273 1.00 0.00 C ATOM 1497 CH2 TRP A 92 14.001 -2.200 5.588 1.00 0.00 C ATOM 0 H TRP A 92 12.203 -8.003 1.625 1.00 0.00 H new ATOM 0 HA TRP A 92 12.312 -6.398 -0.144 1.00 0.00 H new ATOM 0 HB2 TRP A 92 12.021 -4.265 1.214 1.00 0.00 H new ATOM 0 HB3 TRP A 92 10.968 -5.602 1.635 1.00 0.00 H new ATOM 0 HD1 TRP A 92 12.138 -7.188 3.826 1.00 0.00 H new ATOM 0 HE1 TRP A 92 13.034 -6.255 6.064 1.00 0.00 H new ATOM 0 HE3 TRP A 92 13.005 -2.376 2.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 13.986 -3.788 7.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 13.924 -0.782 3.976 1.00 0.00 H new ATOM 0 HH2 TRP A 92 14.399 -1.480 6.287 1.00 0.00 H new ATOM 1508 N GLU A 93 14.796 -6.002 -0.626 1.00 0.00 N ATOM 1509 CA GLU A 93 16.080 -5.466 -1.052 1.00 0.00 C ATOM 1510 C GLU A 93 15.934 -4.024 -1.516 1.00 0.00 C ATOM 1511 O GLU A 93 16.576 -3.602 -2.480 1.00 0.00 O ATOM 1512 CB GLU A 93 16.666 -6.324 -2.176 1.00 0.00 C ATOM 1513 CG GLU A 93 18.130 -6.036 -2.465 1.00 0.00 C ATOM 1514 CD GLU A 93 19.055 -6.592 -1.402 1.00 0.00 C ATOM 1515 OE1 GLU A 93 18.945 -6.160 -0.235 1.00 0.00 O ATOM 1516 OE2 GLU A 93 19.890 -7.459 -1.736 1.00 0.00 O ATOM 0 H GLU A 93 14.432 -6.747 -1.220 1.00 0.00 H new ATOM 0 HA GLU A 93 16.760 -5.487 -0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 93 16.557 -7.376 -1.912 1.00 0.00 H new ATOM 0 HB3 GLU A 93 16.087 -6.161 -3.085 1.00 0.00 H new ATOM 0 HG2 GLU A 93 18.396 -6.463 -3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 93 18.276 -4.959 -2.541 1.00 0.00 H new ATOM 1523 N ILE A 94 15.086 -3.267 -0.829 1.00 0.00 N ATOM 1524 CA ILE A 94 14.866 -1.876 -1.180 1.00 0.00 C ATOM 1525 C ILE A 94 13.965 -1.165 -0.150 1.00 0.00 C ATOM 1526 O ILE A 94 14.479 -0.581 0.803 1.00 0.00 O ATOM 1527 CB ILE A 94 14.325 -1.767 -2.627 1.00 0.00 C ATOM 1528 CG1 ILE A 94 14.057 -0.311 -3.011 1.00 0.00 C ATOM 1529 CG2 ILE A 94 13.096 -2.642 -2.852 1.00 0.00 C ATOM 1530 CD1 ILE A 94 15.260 0.366 -3.637 1.00 0.00 C ATOM 0 H ILE A 94 14.543 -3.595 -0.030 1.00 0.00 H new ATOM 0 HA ILE A 94 15.822 -1.354 -1.150 1.00 0.00 H new ATOM 0 HB ILE A 94 15.104 -2.147 -3.288 1.00 0.00 H new ATOM 0 HG12 ILE A 94 13.221 -0.273 -3.709 1.00 0.00 H new ATOM 0 HG13 ILE A 94 13.756 0.244 -2.123 1.00 0.00 H new ATOM 0 HG21 ILE A 94 12.754 -2.531 -3.881 1.00 0.00 H new ATOM 0 HG22 ILE A 94 13.353 -3.685 -2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 94 12.302 -2.336 -2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 94 15.008 1.396 -3.888 1.00 0.00 H new ATOM 0 HD12 ILE A 94 16.091 0.357 -2.931 1.00 0.00 H new ATOM 0 HD13 ILE A 94 15.548 -0.168 -4.543 1.00 0.00 H new ATOM 1542 N GLU A 95 12.640 -1.213 -0.312 1.00 0.00 N ATOM 1543 CA GLU A 95 11.742 -0.567 0.644 1.00 0.00 C ATOM 1544 C GLU A 95 10.930 -1.594 1.423 1.00 0.00 C ATOM 1545 O GLU A 95 10.784 -2.728 0.928 1.00 0.00 O ATOM 1546 CB GLU A 95 10.795 0.402 -0.062 1.00 0.00 C ATOM 1547 CG GLU A 95 10.931 1.828 0.438 1.00 0.00 C ATOM 1548 CD GLU A 95 10.762 1.953 1.938 1.00 0.00 C ATOM 1549 OE1 GLU A 95 9.675 1.606 2.445 1.00 0.00 O ATOM 1550 OE2 GLU A 95 11.717 2.404 2.605 1.00 0.00 O ATOM 1551 OXT GLU A 95 10.444 -1.253 2.522 1.00 0.00 O ATOM 0 H GLU A 95 12.172 -1.686 -1.085 1.00 0.00 H new ATOM 0 HA GLU A 95 12.365 -0.010 1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 95 10.991 0.378 -1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 95 9.767 0.068 0.082 1.00 0.00 H new ATOM 0 HG2 GLU A 95 11.911 2.213 0.156 1.00 0.00 H new ATOM 0 HG3 GLU A 95 10.188 2.453 -0.058 1.00 0.00 H new TER 1558 GLU A 95