USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 633 hydrogens (5 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 60 LYS NZ :NH3+ 144:sc= -0.116 (180deg=0) USER MOD Set 1.2: A 64 LYS NZ :NH3+ -151:sc= -2.53 (180deg=-1.57) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0558 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0889 X(o=-0.089,f=-0.0017) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 169:sc= -0.0139 (180deg=-0.158) USER MOD Single : A 38 LYS NZ :NH3+ -136:sc= -1.59 (180deg=-4.36!) USER MOD Single : A 42 MET CE :methyl -175:sc= 0 (180deg=-0.0237) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.328 F(o=-1.8,f=-0.33) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.398 F(o=-1.2,f=-0.4) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -134:sc=-0.00268 (180deg=-1.82!) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.254 F(o=-2.8,f=-0.25) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0537) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.137 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 30:sc= -0.6 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 BME O1 : rot 33:sc= 0.311 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 1.814 -7.244 6.822 1.00 0.00 N ATOM 2 CA ASN A 3 1.741 -8.635 6.286 1.00 0.00 C ATOM 3 C ASN A 3 1.058 -8.650 4.914 1.00 0.00 C ATOM 4 O ASN A 3 -0.081 -8.234 4.807 1.00 0.00 O ATOM 5 CB ASN A 3 0.934 -9.507 7.266 1.00 0.00 C ATOM 6 CG ASN A 3 1.355 -9.209 8.711 1.00 0.00 C ATOM 7 OD1 ASN A 3 2.482 -9.424 9.111 1.00 0.00 O ATOM 8 ND2 ASN A 3 0.463 -8.708 9.522 1.00 0.00 N ATOM 0 HA ASN A 3 2.752 -9.026 6.176 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -0.132 -9.314 7.143 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.095 -10.562 7.043 1.00 0.00 H new ATOM 0 HD21 ASN A 3 0.713 -8.498 10.488 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -0.484 -8.526 9.189 1.00 0.00 H new ATOM 15 N ALA A 4 1.765 -9.119 3.912 1.00 0.00 N ATOM 16 CA ALA A 4 1.269 -9.211 2.528 1.00 0.00 C ATOM 17 C ALA A 4 0.950 -7.847 1.890 1.00 0.00 C ATOM 18 O ALA A 4 0.574 -6.904 2.559 1.00 0.00 O ATOM 19 CB ALA A 4 0.004 -10.110 2.484 1.00 0.00 C ATOM 0 H ALA A 4 2.721 -9.458 4.022 1.00 0.00 H new ATOM 0 HA ALA A 4 2.078 -9.647 1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -0.360 -10.176 1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.254 -11.108 2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -0.771 -9.679 3.117 1.00 0.00 H new ATOM 25 N PRO A 5 1.126 -7.808 0.591 1.00 0.00 N ATOM 26 CA PRO A 5 0.897 -6.624 -0.279 1.00 0.00 C ATOM 27 C PRO A 5 -0.293 -5.723 0.106 1.00 0.00 C ATOM 28 O PRO A 5 -1.403 -5.934 -0.341 1.00 0.00 O ATOM 29 CB PRO A 5 0.797 -7.239 -1.714 1.00 0.00 C ATOM 30 CG PRO A 5 0.755 -8.767 -1.495 1.00 0.00 C ATOM 31 CD PRO A 5 1.572 -8.973 -0.211 1.00 0.00 C ATOM 0 HA PRO A 5 1.709 -5.904 -0.181 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.097 -6.890 -2.231 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.652 -6.952 -2.326 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.267 -9.127 -1.381 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.191 -9.304 -2.337 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.345 -9.921 0.276 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.646 -8.960 -0.398 1.00 0.00 H new ATOM 39 N LYS A 6 -0.005 -4.746 0.934 1.00 0.00 N ATOM 40 CA LYS A 6 -1.043 -3.774 1.407 1.00 0.00 C ATOM 41 C LYS A 6 -0.646 -2.321 1.075 1.00 0.00 C ATOM 42 O LYS A 6 -0.034 -1.638 1.875 1.00 0.00 O ATOM 43 CB LYS A 6 -1.238 -3.969 2.948 1.00 0.00 C ATOM 44 CG LYS A 6 -2.213 -2.882 3.510 1.00 0.00 C ATOM 45 CD LYS A 6 -2.614 -3.166 4.979 1.00 0.00 C ATOM 46 CE LYS A 6 -3.697 -4.264 5.017 1.00 0.00 C ATOM 47 NZ LYS A 6 -4.176 -4.463 6.413 1.00 0.00 N ATOM 0 H LYS A 6 0.928 -4.578 1.310 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.983 -3.966 0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.636 -4.964 3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.276 -3.902 3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.739 -1.902 3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.109 -2.844 2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.741 -3.482 5.550 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.988 -2.255 5.447 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.532 -3.985 4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.293 -5.198 4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.905 -5.204 6.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.379 -4.750 7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.579 -3.574 6.772 1.00 0.00 H new ATOM 61 N ARG A 7 -1.012 -1.924 -0.124 1.00 0.00 N ATOM 62 CA ARG A 7 -0.755 -0.552 -0.691 1.00 0.00 C ATOM 63 C ARG A 7 -0.414 0.533 0.369 1.00 0.00 C ATOM 64 O ARG A 7 -1.315 1.050 1.001 1.00 0.00 O ATOM 65 CB ARG A 7 -2.019 -0.132 -1.497 1.00 0.00 C ATOM 66 CG ARG A 7 -1.852 1.275 -2.144 1.00 0.00 C ATOM 67 CD ARG A 7 -0.830 1.250 -3.301 1.00 0.00 C ATOM 68 NE ARG A 7 -0.575 2.665 -3.703 1.00 0.00 N ATOM 69 CZ ARG A 7 -0.998 3.112 -4.856 1.00 0.00 C ATOM 70 NH1 ARG A 7 -0.302 2.874 -5.934 1.00 0.00 N ATOM 71 NH2 ARG A 7 -2.109 3.794 -4.886 1.00 0.00 N ATOM 0 H ARG A 7 -1.510 -2.535 -0.772 1.00 0.00 H new ATOM 0 HA ARG A 7 0.133 -0.618 -1.320 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.215 -0.869 -2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.886 -0.128 -0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.816 1.622 -2.516 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.528 1.988 -1.386 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.095 0.768 -2.985 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.217 0.676 -4.143 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.067 3.287 -3.074 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.566 2.342 -5.873 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.626 3.220 -6.837 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.625 3.967 -4.023 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.462 4.155 -5.772 1.00 0.00 H new ATOM 85 N PRO A 8 0.849 0.857 0.548 1.00 0.00 N ATOM 86 CA PRO A 8 1.284 1.980 1.426 1.00 0.00 C ATOM 87 C PRO A 8 0.908 3.316 0.746 1.00 0.00 C ATOM 88 O PRO A 8 0.374 3.299 -0.348 1.00 0.00 O ATOM 89 CB PRO A 8 2.803 1.773 1.587 1.00 0.00 C ATOM 90 CG PRO A 8 3.034 0.315 1.112 1.00 0.00 C ATOM 91 CD PRO A 8 2.030 0.179 -0.043 1.00 0.00 C ATOM 0 HA PRO A 8 0.807 2.005 2.406 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.369 2.484 0.985 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.117 1.911 2.622 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.059 0.154 0.779 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.840 -0.406 1.906 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.376 0.667 -0.954 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.827 -0.862 -0.297 1.00 0.00 H new ATOM 99 N PRO A 9 1.184 4.429 1.395 1.00 0.00 N ATOM 100 CA PRO A 9 1.031 5.787 0.803 1.00 0.00 C ATOM 101 C PRO A 9 1.406 5.903 -0.686 1.00 0.00 C ATOM 102 O PRO A 9 2.113 5.084 -1.240 1.00 0.00 O ATOM 103 CB PRO A 9 1.877 6.654 1.738 1.00 0.00 C ATOM 104 CG PRO A 9 1.555 6.011 3.109 1.00 0.00 C ATOM 105 CD PRO A 9 1.678 4.502 2.803 1.00 0.00 C ATOM 0 HA PRO A 9 -0.012 6.100 0.755 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.939 6.604 1.498 1.00 0.00 H new ATOM 0 HB3 PRO A 9 1.590 7.705 1.698 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.256 6.328 3.881 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.557 6.275 3.457 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.706 4.150 2.894 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.073 3.898 3.479 1.00 0.00 H new ATOM 113 N SER A 10 0.903 6.953 -1.275 1.00 0.00 N ATOM 114 CA SER A 10 1.128 7.261 -2.718 1.00 0.00 C ATOM 115 C SER A 10 2.041 8.472 -2.953 1.00 0.00 C ATOM 116 O SER A 10 2.571 8.601 -4.039 1.00 0.00 O ATOM 117 CB SER A 10 -0.256 7.501 -3.350 1.00 0.00 C ATOM 118 OG SER A 10 -0.831 8.525 -2.550 1.00 0.00 O ATOM 0 H SER A 10 0.321 7.639 -0.794 1.00 0.00 H new ATOM 0 HA SER A 10 1.646 6.419 -3.178 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.170 7.810 -4.392 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.863 6.596 -3.335 1.00 0.00 H new ATOM 0 HG SER A 10 -1.724 8.742 -2.889 1.00 0.00 H new ATOM 124 N ALA A 11 2.176 9.286 -1.928 1.00 0.00 N ATOM 125 CA ALA A 11 3.001 10.548 -1.887 1.00 0.00 C ATOM 126 C ALA A 11 1.953 11.601 -1.529 1.00 0.00 C ATOM 127 O ALA A 11 2.125 12.472 -0.696 1.00 0.00 O ATOM 128 CB ALA A 11 3.594 10.922 -3.244 1.00 0.00 C ATOM 0 H ALA A 11 1.704 9.107 -1.041 1.00 0.00 H new ATOM 0 HA ALA A 11 3.846 10.451 -1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.176 11.839 -3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.241 10.117 -3.593 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.789 11.078 -3.962 1.00 0.00 H new ATOM 134 N PHE A 12 0.867 11.432 -2.230 1.00 0.00 N ATOM 135 CA PHE A 12 -0.336 12.275 -2.119 1.00 0.00 C ATOM 136 C PHE A 12 -0.992 11.935 -0.789 1.00 0.00 C ATOM 137 O PHE A 12 -1.612 12.776 -0.182 1.00 0.00 O ATOM 138 CB PHE A 12 -1.199 11.929 -3.336 1.00 0.00 C ATOM 139 CG PHE A 12 -2.661 12.321 -3.161 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.046 13.598 -3.453 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.602 11.411 -2.725 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.351 13.987 -3.323 1.00 0.00 C ATOM 143 CE2 PHE A 12 -4.919 11.803 -2.595 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.293 13.083 -2.892 1.00 0.00 C ATOM 0 H PHE A 12 0.771 10.687 -2.921 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.149 13.349 -2.123 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.796 12.433 -4.215 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.136 10.858 -3.526 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.309 14.312 -3.792 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.310 10.399 -2.487 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.640 15.001 -3.558 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.659 11.093 -2.256 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.325 13.384 -2.789 1.00 0.00 H new ATOM 154 N PHE A 13 -0.834 10.705 -0.372 1.00 0.00 N ATOM 155 CA PHE A 13 -1.438 10.264 0.921 1.00 0.00 C ATOM 156 C PHE A 13 -1.015 11.176 2.085 1.00 0.00 C ATOM 157 O PHE A 13 -1.851 11.675 2.807 1.00 0.00 O ATOM 158 CB PHE A 13 -0.994 8.816 1.217 1.00 0.00 C ATOM 159 CG PHE A 13 -2.237 7.932 1.420 1.00 0.00 C ATOM 160 CD1 PHE A 13 -2.999 8.052 2.567 1.00 0.00 C ATOM 161 CD2 PHE A 13 -2.609 7.012 0.456 1.00 0.00 C ATOM 162 CE1 PHE A 13 -4.118 7.265 2.747 1.00 0.00 C ATOM 163 CE2 PHE A 13 -3.727 6.227 0.636 1.00 0.00 C ATOM 164 CZ PHE A 13 -4.483 6.351 1.782 1.00 0.00 C ATOM 0 H PHE A 13 -0.312 9.986 -0.872 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.523 10.320 0.828 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.392 8.433 0.393 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.367 8.791 2.108 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.717 8.766 3.327 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.020 6.908 -0.443 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.709 7.365 3.645 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.012 5.513 -0.123 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.358 5.734 1.923 1.00 0.00 H new ATOM 174 N LEU A 14 0.270 11.373 2.221 1.00 0.00 N ATOM 175 CA LEU A 14 0.829 12.223 3.306 1.00 0.00 C ATOM 176 C LEU A 14 0.121 13.571 3.449 1.00 0.00 C ATOM 177 O LEU A 14 -0.438 13.897 4.482 1.00 0.00 O ATOM 178 CB LEU A 14 2.356 12.471 3.045 1.00 0.00 C ATOM 179 CG LEU A 14 3.291 11.193 2.992 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.991 10.140 4.084 1.00 0.00 C ATOM 181 CD2 LEU A 14 3.358 10.538 1.595 1.00 0.00 C ATOM 0 H LEU A 14 0.973 10.966 1.605 1.00 0.00 H new ATOM 0 HA LEU A 14 0.673 11.679 4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.456 13.004 2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.730 13.133 3.826 1.00 0.00 H new ATOM 0 HG LEU A 14 4.281 11.592 3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.675 9.299 3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.121 10.590 5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.965 9.789 3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.015 9.669 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.359 10.225 1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.747 11.257 0.874 1.00 0.00 H new ATOM 193 N PHE A 15 0.150 14.321 2.382 1.00 0.00 N ATOM 194 CA PHE A 15 -0.501 15.650 2.427 1.00 0.00 C ATOM 195 C PHE A 15 -2.051 15.492 2.477 1.00 0.00 C ATOM 196 O PHE A 15 -2.683 16.206 3.232 1.00 0.00 O ATOM 197 CB PHE A 15 0.136 16.408 1.190 1.00 0.00 C ATOM 198 CG PHE A 15 -0.799 16.939 0.121 1.00 0.00 C ATOM 199 CD1 PHE A 15 -1.460 16.052 -0.692 1.00 0.00 C ATOM 200 CD2 PHE A 15 -0.963 18.306 -0.057 1.00 0.00 C ATOM 201 CE1 PHE A 15 -2.273 16.514 -1.675 1.00 0.00 C ATOM 202 CE2 PHE A 15 -1.791 18.767 -1.057 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.445 17.865 -1.867 1.00 0.00 C ATOM 0 H PHE A 15 0.590 14.072 1.496 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.326 16.248 3.321 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.714 17.248 1.575 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.841 15.729 0.710 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.333 14.989 -0.549 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.445 19.004 0.584 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.791 15.813 -2.314 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.926 19.828 -1.205 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.094 18.219 -2.654 1.00 0.00 H new ATOM 213 N CYS A 16 -2.640 14.597 1.713 1.00 0.00 N ATOM 214 CA CYS A 16 -4.137 14.408 1.751 1.00 0.00 C ATOM 215 C CYS A 16 -4.601 14.163 3.199 1.00 0.00 C ATOM 216 O CYS A 16 -5.608 14.690 3.623 1.00 0.00 O ATOM 217 CB CYS A 16 -4.603 13.182 0.931 1.00 0.00 C ATOM 218 SG CYS A 16 -6.171 12.453 1.482 1.00 0.00 S ATOM 0 H CYS A 16 -2.149 13.985 1.061 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.565 15.317 1.328 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.702 13.477 -0.114 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.827 12.417 0.974 1.00 0.00 H new ATOM 223 N SER A 17 -3.851 13.358 3.915 1.00 0.00 N ATOM 224 CA SER A 17 -4.197 13.043 5.328 1.00 0.00 C ATOM 225 C SER A 17 -4.345 14.349 6.110 1.00 0.00 C ATOM 226 O SER A 17 -5.337 14.577 6.777 1.00 0.00 O ATOM 227 CB SER A 17 -3.078 12.176 5.927 1.00 0.00 C ATOM 228 OG SER A 17 -3.532 11.850 7.234 1.00 0.00 O ATOM 0 H SER A 17 -3.005 12.903 3.571 1.00 0.00 H new ATOM 0 HA SER A 17 -5.139 12.496 5.381 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.911 11.279 5.331 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.133 12.718 5.960 1.00 0.00 H new ATOM 0 HG SER A 17 -2.864 11.291 7.682 1.00 0.00 H new ATOM 234 N GLU A 18 -3.327 15.157 5.976 1.00 0.00 N ATOM 235 CA GLU A 18 -3.302 16.477 6.670 1.00 0.00 C ATOM 236 C GLU A 18 -4.334 17.482 6.095 1.00 0.00 C ATOM 237 O GLU A 18 -4.520 18.557 6.632 1.00 0.00 O ATOM 238 CB GLU A 18 -1.870 17.005 6.536 1.00 0.00 C ATOM 239 CG GLU A 18 -1.714 18.321 7.328 1.00 0.00 C ATOM 240 CD GLU A 18 -0.227 18.720 7.393 1.00 0.00 C ATOM 241 OE1 GLU A 18 0.512 17.978 8.020 1.00 0.00 O ATOM 242 OE2 GLU A 18 0.088 19.746 6.813 1.00 0.00 O ATOM 0 H GLU A 18 -2.503 14.956 5.409 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.588 16.355 7.715 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.164 16.262 6.907 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.633 17.173 5.485 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.292 19.113 6.852 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.111 18.199 8.336 1.00 0.00 H new ATOM 249 N TYR A 19 -4.981 17.101 5.026 1.00 0.00 N ATOM 250 CA TYR A 19 -6.003 17.981 4.369 1.00 0.00 C ATOM 251 C TYR A 19 -7.439 17.644 4.753 1.00 0.00 C ATOM 252 O TYR A 19 -8.207 18.539 5.027 1.00 0.00 O ATOM 253 CB TYR A 19 -5.878 17.859 2.850 1.00 0.00 C ATOM 254 CG TYR A 19 -5.002 18.977 2.294 1.00 0.00 C ATOM 255 CD1 TYR A 19 -3.696 19.134 2.702 1.00 0.00 C ATOM 256 CD2 TYR A 19 -5.525 19.842 1.361 1.00 0.00 C ATOM 257 CE1 TYR A 19 -2.924 20.143 2.179 1.00 0.00 C ATOM 258 CE2 TYR A 19 -4.756 20.851 0.835 1.00 0.00 C ATOM 259 CZ TYR A 19 -3.447 21.011 1.240 1.00 0.00 C ATOM 260 OH TYR A 19 -2.666 22.020 0.714 1.00 0.00 O ATOM 0 H TYR A 19 -4.844 16.200 4.568 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.799 18.994 4.716 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.450 16.891 2.591 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.867 17.903 2.393 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.277 18.461 3.436 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.549 19.727 1.039 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.901 20.258 2.504 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.178 21.522 0.101 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.191 22.536 0.067 1.00 0.00 H new ATOM 270 N ARG A 20 -7.743 16.372 4.743 1.00 0.00 N ATOM 271 CA ARG A 20 -9.108 15.855 5.091 1.00 0.00 C ATOM 272 C ARG A 20 -9.986 16.848 5.885 1.00 0.00 C ATOM 273 O ARG A 20 -10.921 17.393 5.332 1.00 0.00 O ATOM 274 CB ARG A 20 -8.929 14.535 5.883 1.00 0.00 C ATOM 275 CG ARG A 20 -8.954 13.316 4.941 1.00 0.00 C ATOM 276 CD ARG A 20 -8.632 12.042 5.756 1.00 0.00 C ATOM 277 NE ARG A 20 -9.513 11.997 6.970 1.00 0.00 N ATOM 278 CZ ARG A 20 -10.332 11.003 7.198 1.00 0.00 C ATOM 279 NH1 ARG A 20 -9.989 9.788 6.871 1.00 0.00 N ATOM 280 NH2 ARG A 20 -11.481 11.267 7.755 1.00 0.00 N ATOM 0 H ARG A 20 -7.076 15.640 4.499 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.646 15.695 4.157 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.985 14.559 6.427 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.722 14.442 6.625 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.933 13.224 4.470 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.226 13.444 4.140 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.791 11.154 5.144 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.583 12.041 6.053 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.472 12.766 7.639 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.082 9.613 6.438 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.627 9.013 7.049 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.720 12.228 8.000 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.141 10.513 7.945 1.00 0.00 H new ATOM 294 N PRO A 21 -9.665 17.086 7.139 1.00 0.00 N ATOM 295 CA PRO A 21 -10.553 17.815 8.089 1.00 0.00 C ATOM 296 C PRO A 21 -10.671 19.317 7.767 1.00 0.00 C ATOM 297 O PRO A 21 -11.577 19.986 8.222 1.00 0.00 O ATOM 298 CB PRO A 21 -9.909 17.543 9.428 1.00 0.00 C ATOM 299 CG PRO A 21 -8.408 17.581 9.064 1.00 0.00 C ATOM 300 CD PRO A 21 -8.388 16.694 7.818 1.00 0.00 C ATOM 0 HA PRO A 21 -11.589 17.480 8.045 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.170 18.298 10.169 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.207 16.578 9.838 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.060 18.593 8.856 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.780 17.185 9.862 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.517 16.888 7.193 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.369 15.634 8.071 1.00 0.00 H new ATOM 308 N LYS A 22 -9.735 19.773 6.979 1.00 0.00 N ATOM 309 CA LYS A 22 -9.664 21.199 6.552 1.00 0.00 C ATOM 310 C LYS A 22 -10.440 21.424 5.248 1.00 0.00 C ATOM 311 O LYS A 22 -10.929 22.515 5.025 1.00 0.00 O ATOM 312 CB LYS A 22 -8.170 21.549 6.388 1.00 0.00 C ATOM 313 CG LYS A 22 -7.983 23.048 6.084 1.00 0.00 C ATOM 314 CD LYS A 22 -6.477 23.366 6.086 1.00 0.00 C ATOM 315 CE LYS A 22 -6.264 24.874 5.867 1.00 0.00 C ATOM 316 NZ LYS A 22 -4.831 25.210 6.108 1.00 0.00 N ATOM 0 H LYS A 22 -8.988 19.191 6.600 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.125 21.848 7.297 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.630 21.289 7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.740 20.955 5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.420 23.295 5.117 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.498 23.652 6.831 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.032 23.060 7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.975 22.800 5.301 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.548 25.149 4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.902 25.445 6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.684 26.229 5.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.576 24.961 7.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.233 24.675 5.447 1.00 0.00 H new ATOM 330 N ILE A 23 -10.563 20.409 4.425 1.00 0.00 N ATOM 331 CA ILE A 23 -11.308 20.593 3.146 1.00 0.00 C ATOM 332 C ILE A 23 -12.748 20.421 3.589 1.00 0.00 C ATOM 333 O ILE A 23 -13.616 21.194 3.259 1.00 0.00 O ATOM 334 CB ILE A 23 -10.966 19.496 2.116 1.00 0.00 C ATOM 335 CG1 ILE A 23 -9.445 19.462 1.849 1.00 0.00 C ATOM 336 CG2 ILE A 23 -11.697 19.862 0.796 1.00 0.00 C ATOM 337 CD1 ILE A 23 -9.142 18.266 0.933 1.00 0.00 C ATOM 0 H ILE A 23 -10.184 19.475 4.583 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.079 21.543 2.663 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.274 18.520 2.491 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.121 20.391 1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.897 19.370 2.787 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.480 19.108 0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.772 19.899 0.974 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.353 20.836 0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.072 18.224 0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -9.456 17.344 1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.683 18.381 -0.006 1.00 0.00 H new ATOM 349 N LYS A 24 -12.915 19.375 4.343 1.00 0.00 N ATOM 350 CA LYS A 24 -14.216 18.969 4.922 1.00 0.00 C ATOM 351 C LYS A 24 -14.811 20.156 5.693 1.00 0.00 C ATOM 352 O LYS A 24 -16.001 20.405 5.665 1.00 0.00 O ATOM 353 CB LYS A 24 -13.918 17.792 5.833 1.00 0.00 C ATOM 354 CG LYS A 24 -15.228 17.192 6.423 1.00 0.00 C ATOM 355 CD LYS A 24 -15.082 17.062 7.958 1.00 0.00 C ATOM 356 CE LYS A 24 -14.070 15.958 8.356 1.00 0.00 C ATOM 357 NZ LYS A 24 -14.793 14.701 8.702 1.00 0.00 N ATOM 0 H LYS A 24 -12.150 18.749 4.594 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.946 18.680 4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -13.382 17.024 5.276 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.264 18.113 6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -16.077 17.831 6.179 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.427 16.216 5.981 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.758 18.017 8.373 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.054 16.837 8.396 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.378 15.774 7.534 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.474 16.290 9.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.106 13.967 8.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.436 14.879 9.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.343 14.379 7.880 1.00 0.00 H new ATOM 371 N GLY A 25 -13.916 20.841 6.360 1.00 0.00 N ATOM 372 CA GLY A 25 -14.277 22.027 7.182 1.00 0.00 C ATOM 373 C GLY A 25 -14.907 23.139 6.344 1.00 0.00 C ATOM 374 O GLY A 25 -15.944 23.678 6.679 1.00 0.00 O ATOM 0 H GLY A 25 -12.921 20.616 6.366 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.973 21.726 7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.384 22.409 7.678 1.00 0.00 H new ATOM 378 N GLU A 26 -14.228 23.429 5.269 1.00 0.00 N ATOM 379 CA GLU A 26 -14.659 24.484 4.309 1.00 0.00 C ATOM 380 C GLU A 26 -15.900 24.083 3.503 1.00 0.00 C ATOM 381 O GLU A 26 -16.843 24.838 3.382 1.00 0.00 O ATOM 382 CB GLU A 26 -13.491 24.755 3.348 1.00 0.00 C ATOM 383 CG GLU A 26 -12.223 25.165 4.126 1.00 0.00 C ATOM 384 CD GLU A 26 -12.276 26.655 4.517 1.00 0.00 C ATOM 385 OE1 GLU A 26 -13.079 26.976 5.377 1.00 0.00 O ATOM 386 OE2 GLU A 26 -11.506 27.394 3.924 1.00 0.00 O ATOM 0 H GLU A 26 -13.360 22.960 5.008 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.928 25.374 4.878 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.287 23.863 2.756 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.765 25.545 2.649 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.128 24.553 5.023 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.340 24.976 3.516 1.00 0.00 H new ATOM 393 N HIS A 27 -15.834 22.888 2.982 1.00 0.00 N ATOM 394 CA HIS A 27 -16.918 22.300 2.154 1.00 0.00 C ATOM 395 C HIS A 27 -17.378 20.952 2.746 1.00 0.00 C ATOM 396 O HIS A 27 -16.991 19.902 2.270 1.00 0.00 O ATOM 397 CB HIS A 27 -16.373 22.110 0.723 1.00 0.00 C ATOM 398 CG HIS A 27 -15.511 23.314 0.331 1.00 0.00 C ATOM 399 ND1 HIS A 27 -15.960 24.502 0.097 1.00 0.00 N ATOM 400 CD2 HIS A 27 -14.140 23.420 0.153 1.00 0.00 C ATOM 401 CE1 HIS A 27 -14.973 25.286 -0.202 1.00 0.00 C ATOM 402 NE2 HIS A 27 -13.824 24.656 -0.180 1.00 0.00 N ATOM 0 H HIS A 27 -15.032 22.270 3.105 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.783 22.963 2.139 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.783 21.195 0.667 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -17.200 21.999 0.021 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.435 22.610 0.270 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.084 26.333 -0.441 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.897 25.035 -0.376 1.00 0.00 H new ATOM 410 N PRO A 28 -18.194 21.008 3.773 1.00 0.00 N ATOM 411 CA PRO A 28 -18.949 19.826 4.275 1.00 0.00 C ATOM 412 C PRO A 28 -20.171 19.591 3.357 1.00 0.00 C ATOM 413 O PRO A 28 -21.290 19.441 3.809 1.00 0.00 O ATOM 414 CB PRO A 28 -19.289 20.228 5.709 1.00 0.00 C ATOM 415 CG PRO A 28 -19.578 21.747 5.547 1.00 0.00 C ATOM 416 CD PRO A 28 -18.467 22.230 4.579 1.00 0.00 C ATOM 0 HA PRO A 28 -18.417 18.875 4.266 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -20.153 19.685 6.093 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -18.463 20.039 6.395 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -20.572 21.924 5.136 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -19.531 22.268 6.503 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -18.802 23.060 3.958 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -17.581 22.570 5.115 1.00 0.00 H new ATOM 424 N GLY A 29 -19.875 19.569 2.081 1.00 0.00 N ATOM 425 CA GLY A 29 -20.879 19.361 1.009 1.00 0.00 C ATOM 426 C GLY A 29 -20.464 18.226 0.064 1.00 0.00 C ATOM 427 O GLY A 29 -21.317 17.609 -0.546 1.00 0.00 O ATOM 0 H GLY A 29 -18.926 19.694 1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.846 19.130 1.455 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -21.002 20.283 0.440 1.00 0.00 H new ATOM 431 N LEU A 30 -19.177 17.978 -0.034 1.00 0.00 N ATOM 432 CA LEU A 30 -18.678 16.900 -0.929 1.00 0.00 C ATOM 433 C LEU A 30 -18.513 15.558 -0.197 1.00 0.00 C ATOM 434 O LEU A 30 -18.789 15.434 0.980 1.00 0.00 O ATOM 435 CB LEU A 30 -17.297 17.291 -1.551 1.00 0.00 C ATOM 436 CG LEU A 30 -16.664 18.627 -1.081 1.00 0.00 C ATOM 437 CD1 LEU A 30 -15.198 18.676 -1.584 1.00 0.00 C ATOM 438 CD2 LEU A 30 -17.406 19.810 -1.729 1.00 0.00 C ATOM 0 H LEU A 30 -18.452 18.484 0.474 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.429 16.783 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.591 16.489 -1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -17.414 17.334 -2.634 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.721 18.690 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.734 19.609 -1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.643 17.834 -1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -15.185 18.619 -2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -16.958 20.746 -1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -17.330 19.737 -2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -18.456 19.785 -1.436 1.00 0.00 H new ATOM 450 N SER A 31 -18.057 14.601 -0.964 1.00 0.00 N ATOM 451 CA SER A 31 -17.815 13.210 -0.488 1.00 0.00 C ATOM 452 C SER A 31 -16.345 12.863 -0.636 1.00 0.00 C ATOM 453 O SER A 31 -15.573 13.626 -1.170 1.00 0.00 O ATOM 454 CB SER A 31 -18.660 12.249 -1.322 1.00 0.00 C ATOM 455 OG SER A 31 -19.995 12.653 -1.061 1.00 0.00 O ATOM 0 H SER A 31 -17.833 14.739 -1.949 1.00 0.00 H new ATOM 0 HA SER A 31 -18.091 13.127 0.563 1.00 0.00 H new ATOM 0 HB2 SER A 31 -18.420 12.324 -2.383 1.00 0.00 H new ATOM 0 HB3 SER A 31 -18.492 11.213 -1.030 1.00 0.00 H new ATOM 0 HG SER A 31 -20.614 12.083 -1.564 1.00 0.00 H new ATOM 461 N ILE A 32 -15.984 11.707 -0.154 1.00 0.00 N ATOM 462 CA ILE A 32 -14.568 11.232 -0.239 1.00 0.00 C ATOM 463 C ILE A 32 -14.031 11.247 -1.675 1.00 0.00 C ATOM 464 O ILE A 32 -12.839 11.340 -1.883 1.00 0.00 O ATOM 465 CB ILE A 32 -14.547 9.800 0.390 1.00 0.00 C ATOM 466 CG1 ILE A 32 -14.163 9.887 1.889 1.00 0.00 C ATOM 467 CG2 ILE A 32 -13.609 8.830 -0.370 1.00 0.00 C ATOM 468 CD1 ILE A 32 -15.133 10.811 2.665 1.00 0.00 C ATOM 0 H ILE A 32 -16.621 11.056 0.305 1.00 0.00 H new ATOM 0 HA ILE A 32 -13.903 11.903 0.306 1.00 0.00 H new ATOM 0 HB ILE A 32 -15.552 9.387 0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.177 8.890 2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -13.144 10.263 1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -13.633 7.851 0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -13.942 8.737 -1.404 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.591 9.219 -0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -14.837 10.851 3.713 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.099 11.814 2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -16.147 10.419 2.589 1.00 0.00 H new ATOM 480 N GLY A 33 -14.934 11.166 -2.609 1.00 0.00 N ATOM 481 CA GLY A 33 -14.536 11.160 -4.054 1.00 0.00 C ATOM 482 C GLY A 33 -14.404 12.565 -4.640 1.00 0.00 C ATOM 483 O GLY A 33 -13.956 12.720 -5.755 1.00 0.00 O ATOM 0 H GLY A 33 -15.938 11.103 -2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.586 10.636 -4.162 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.276 10.601 -4.627 1.00 0.00 H new ATOM 487 N ASP A 34 -14.783 13.547 -3.870 1.00 0.00 N ATOM 488 CA ASP A 34 -14.724 14.969 -4.295 1.00 0.00 C ATOM 489 C ASP A 34 -13.568 15.624 -3.557 1.00 0.00 C ATOM 490 O ASP A 34 -12.799 16.372 -4.117 1.00 0.00 O ATOM 491 CB ASP A 34 -16.057 15.606 -3.926 1.00 0.00 C ATOM 492 CG ASP A 34 -17.215 14.959 -4.705 1.00 0.00 C ATOM 493 OD1 ASP A 34 -17.171 15.018 -5.923 1.00 0.00 O ATOM 494 OD2 ASP A 34 -18.088 14.441 -4.029 1.00 0.00 O ATOM 0 H ASP A 34 -15.145 13.413 -2.926 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.561 15.083 -5.367 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.231 15.499 -2.855 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.024 16.675 -4.138 1.00 0.00 H new ATOM 499 N VAL A 35 -13.490 15.295 -2.303 1.00 0.00 N ATOM 500 CA VAL A 35 -12.432 15.814 -1.395 1.00 0.00 C ATOM 501 C VAL A 35 -11.096 15.238 -1.867 1.00 0.00 C ATOM 502 O VAL A 35 -10.057 15.832 -1.668 1.00 0.00 O ATOM 503 CB VAL A 35 -12.772 15.341 0.041 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.665 15.730 1.037 1.00 0.00 C ATOM 505 CG2 VAL A 35 -14.103 15.964 0.535 1.00 0.00 C ATOM 0 H VAL A 35 -14.146 14.659 -1.849 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.372 16.902 -1.403 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.863 14.256 -0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.935 15.383 2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.725 15.269 0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.550 16.814 1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.316 15.614 1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.017 17.051 0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.913 15.666 -0.130 1.00 0.00 H new ATOM 515 N ALA A 36 -11.194 14.094 -2.496 1.00 0.00 N ATOM 516 CA ALA A 36 -10.012 13.379 -3.015 1.00 0.00 C ATOM 517 C ALA A 36 -9.799 13.827 -4.438 1.00 0.00 C ATOM 518 O ALA A 36 -8.678 14.077 -4.822 1.00 0.00 O ATOM 519 CB ALA A 36 -10.275 11.891 -2.972 1.00 0.00 C ATOM 0 H ALA A 36 -12.079 13.619 -2.672 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.127 13.594 -2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.405 11.357 -3.354 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.466 11.585 -1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.144 11.657 -3.587 1.00 0.00 H new ATOM 525 N LYS A 37 -10.867 13.916 -5.187 1.00 0.00 N ATOM 526 CA LYS A 37 -10.698 14.359 -6.591 1.00 0.00 C ATOM 527 C LYS A 37 -10.114 15.780 -6.679 1.00 0.00 C ATOM 528 O LYS A 37 -9.276 16.039 -7.519 1.00 0.00 O ATOM 529 CB LYS A 37 -12.067 14.286 -7.259 1.00 0.00 C ATOM 530 CG LYS A 37 -12.019 14.750 -8.714 1.00 0.00 C ATOM 531 CD LYS A 37 -11.005 13.923 -9.551 1.00 0.00 C ATOM 532 CE LYS A 37 -11.318 12.409 -9.508 1.00 0.00 C ATOM 533 NZ LYS A 37 -12.703 12.150 -9.997 1.00 0.00 N ATOM 0 H LYS A 37 -11.821 13.707 -4.894 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.986 13.710 -7.100 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.437 13.261 -7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.774 14.903 -6.705 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.012 14.663 -9.156 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.745 15.804 -8.750 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.022 14.268 -10.585 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.997 14.096 -9.174 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.601 11.865 -10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.210 12.038 -8.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.836 11.128 -10.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.389 12.494 -9.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.852 12.647 -10.898 1.00 0.00 H new ATOM 547 N LYS A 38 -10.546 16.661 -5.810 1.00 0.00 N ATOM 548 CA LYS A 38 -10.031 18.052 -5.846 1.00 0.00 C ATOM 549 C LYS A 38 -8.628 18.137 -5.260 1.00 0.00 C ATOM 550 O LYS A 38 -7.746 18.650 -5.918 1.00 0.00 O ATOM 551 CB LYS A 38 -10.982 18.984 -5.047 1.00 0.00 C ATOM 552 CG LYS A 38 -11.578 20.040 -6.006 1.00 0.00 C ATOM 553 CD LYS A 38 -12.724 20.858 -5.349 1.00 0.00 C ATOM 554 CE LYS A 38 -12.256 21.660 -4.110 1.00 0.00 C ATOM 555 NZ LYS A 38 -12.029 20.761 -2.942 1.00 0.00 N ATOM 0 H LYS A 38 -11.233 16.471 -5.080 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.988 18.370 -6.888 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.780 18.402 -4.586 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.438 19.474 -4.240 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.789 20.720 -6.329 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.956 19.543 -6.899 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.141 21.546 -6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.526 20.180 -5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.336 22.195 -4.345 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.004 22.411 -3.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.438 21.192 -2.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.483 19.842 -3.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.008 20.622 -2.805 1.00 0.00 H new ATOM 569 N LEU A 39 -8.417 17.646 -4.062 1.00 0.00 N ATOM 570 CA LEU A 39 -7.043 17.738 -3.503 1.00 0.00 C ATOM 571 C LEU A 39 -6.101 16.914 -4.434 1.00 0.00 C ATOM 572 O LEU A 39 -4.952 17.274 -4.597 1.00 0.00 O ATOM 573 CB LEU A 39 -7.219 17.269 -2.003 1.00 0.00 C ATOM 574 CG LEU A 39 -6.571 15.955 -1.654 1.00 0.00 C ATOM 575 CD1 LEU A 39 -5.109 16.227 -1.386 1.00 0.00 C ATOM 576 CD2 LEU A 39 -7.159 15.379 -0.340 1.00 0.00 C ATOM 0 H LEU A 39 -9.116 17.200 -3.467 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.566 18.718 -3.476 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.811 18.040 -1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.285 17.198 -1.786 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.734 15.253 -2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.607 15.294 -1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.649 16.654 -2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.015 16.929 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.675 14.430 -0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.986 16.082 0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.231 15.220 -0.460 1.00 0.00 H new ATOM 588 N GLY A 40 -6.594 15.846 -5.023 1.00 0.00 N ATOM 589 CA GLY A 40 -5.771 14.988 -5.956 1.00 0.00 C ATOM 590 C GLY A 40 -5.107 15.877 -6.995 1.00 0.00 C ATOM 591 O GLY A 40 -3.919 15.828 -7.240 1.00 0.00 O ATOM 0 H GLY A 40 -7.553 15.523 -4.896 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.016 14.439 -5.394 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.405 14.248 -6.444 1.00 0.00 H new ATOM 595 N GLU A 41 -5.935 16.691 -7.577 1.00 0.00 N ATOM 596 CA GLU A 41 -5.468 17.635 -8.617 1.00 0.00 C ATOM 597 C GLU A 41 -4.423 18.581 -8.032 1.00 0.00 C ATOM 598 O GLU A 41 -3.347 18.716 -8.582 1.00 0.00 O ATOM 599 CB GLU A 41 -6.663 18.405 -9.099 1.00 0.00 C ATOM 600 CG GLU A 41 -7.614 17.474 -9.880 1.00 0.00 C ATOM 601 CD GLU A 41 -8.907 18.228 -10.231 1.00 0.00 C ATOM 602 OE1 GLU A 41 -8.810 19.134 -11.044 1.00 0.00 O ATOM 603 OE2 GLU A 41 -9.924 17.861 -9.664 1.00 0.00 O ATOM 0 H GLU A 41 -6.933 16.741 -7.371 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.006 17.099 -9.446 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.188 18.845 -8.251 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.342 19.228 -9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.128 17.123 -10.790 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.847 16.592 -9.283 1.00 0.00 H new ATOM 610 N MET A 42 -4.772 19.198 -6.927 1.00 0.00 N ATOM 611 CA MET A 42 -3.837 20.159 -6.261 1.00 0.00 C ATOM 612 C MET A 42 -2.444 19.570 -6.124 1.00 0.00 C ATOM 613 O MET A 42 -1.458 20.205 -6.427 1.00 0.00 O ATOM 614 CB MET A 42 -4.359 20.503 -4.896 1.00 0.00 C ATOM 615 CG MET A 42 -5.729 21.186 -5.042 1.00 0.00 C ATOM 616 SD MET A 42 -6.405 22.049 -3.601 1.00 0.00 S ATOM 617 CE MET A 42 -8.145 21.609 -3.830 1.00 0.00 C ATOM 0 H MET A 42 -5.669 19.076 -6.456 1.00 0.00 H new ATOM 0 HA MET A 42 -3.776 21.054 -6.881 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.450 19.602 -4.290 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.662 21.164 -4.382 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.659 21.904 -5.859 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.450 20.427 -5.346 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.751 22.123 -3.084 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.467 21.907 -4.828 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.266 20.532 -3.716 1.00 0.00 H new ATOM 627 N TRP A 43 -2.445 18.360 -5.645 1.00 0.00 N ATOM 628 CA TRP A 43 -1.206 17.578 -5.436 1.00 0.00 C ATOM 629 C TRP A 43 -0.407 17.549 -6.722 1.00 0.00 C ATOM 630 O TRP A 43 0.764 17.865 -6.733 1.00 0.00 O ATOM 631 CB TRP A 43 -1.632 16.207 -5.015 1.00 0.00 C ATOM 632 CG TRP A 43 -0.458 15.251 -5.059 1.00 0.00 C ATOM 633 CD1 TRP A 43 -0.295 14.307 -6.011 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.567 15.215 -4.197 1.00 0.00 C ATOM 635 NE1 TRP A 43 0.843 13.749 -5.665 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.443 14.221 -4.588 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.830 15.972 -3.065 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.588 13.982 -3.845 1.00 0.00 C ATOM 639 CZ3 TRP A 43 1.976 15.734 -2.316 1.00 0.00 C ATOM 640 CH2 TRP A 43 2.860 14.735 -2.711 1.00 0.00 C ATOM 0 H TRP A 43 -3.295 17.863 -5.379 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.565 18.017 -4.671 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.043 16.241 -4.006 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.425 15.849 -5.671 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.938 14.070 -6.846 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.246 12.984 -6.206 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.142 16.749 -2.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.273 13.205 -4.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.179 16.321 -1.433 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.755 14.546 -2.137 1.00 0.00 H new ATOM 651 N ASN A 44 -1.101 17.174 -7.762 1.00 0.00 N ATOM 652 CA ASN A 44 -0.436 17.095 -9.096 1.00 0.00 C ATOM 653 C ASN A 44 0.199 18.450 -9.476 1.00 0.00 C ATOM 654 O ASN A 44 1.032 18.516 -10.359 1.00 0.00 O ATOM 655 CB ASN A 44 -1.484 16.647 -10.155 1.00 0.00 C ATOM 656 CG ASN A 44 -1.991 15.245 -9.769 1.00 0.00 C ATOM 657 OD1 ASN A 44 -3.275 15.011 -9.719 1.00 0.00 O flip ATOM 658 ND2 ASN A 44 -1.219 14.342 -9.509 1.00 0.00 N flip ATOM 0 H ASN A 44 -2.089 16.921 -7.748 1.00 0.00 H new ATOM 0 HA ASN A 44 0.371 16.363 -9.058 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.313 17.354 -10.192 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.036 16.629 -11.149 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.213 14.506 -9.543 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.578 13.421 -9.257 1.00 0.00 H new ATOM 665 N ASN A 45 -0.234 19.480 -8.783 1.00 0.00 N ATOM 666 CA ASN A 45 0.275 20.871 -9.011 1.00 0.00 C ATOM 667 C ASN A 45 0.733 21.521 -7.674 1.00 0.00 C ATOM 668 O ASN A 45 0.617 22.724 -7.523 1.00 0.00 O ATOM 669 CB ASN A 45 -0.852 21.731 -9.628 1.00 0.00 C ATOM 670 CG ASN A 45 -1.699 20.894 -10.583 1.00 0.00 C ATOM 671 OD1 ASN A 45 -2.942 20.689 -10.242 1.00 0.00 O flip ATOM 672 ND2 ASN A 45 -1.250 20.427 -11.611 1.00 0.00 N flip ATOM 0 H ASN A 45 -0.939 19.410 -8.049 1.00 0.00 H new ATOM 0 HA ASN A 45 1.129 20.820 -9.687 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.481 22.139 -8.837 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.421 22.578 -10.162 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.277 20.595 -11.865 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.847 19.867 -12.220 1.00 0.00 H new ATOM 679 N THR A 46 1.246 20.752 -6.738 1.00 0.00 N ATOM 680 CA THR A 46 1.689 21.364 -5.436 1.00 0.00 C ATOM 681 C THR A 46 2.938 22.223 -5.687 1.00 0.00 C ATOM 682 O THR A 46 3.047 23.330 -5.197 1.00 0.00 O ATOM 683 CB THR A 46 1.991 20.221 -4.389 1.00 0.00 C ATOM 684 OG1 THR A 46 2.264 20.920 -3.182 1.00 0.00 O ATOM 685 CG2 THR A 46 3.293 19.421 -4.626 1.00 0.00 C ATOM 0 H THR A 46 1.376 19.743 -6.815 1.00 0.00 H new ATOM 0 HA THR A 46 0.901 21.998 -5.030 1.00 0.00 H new ATOM 0 HB THR A 46 1.152 19.526 -4.422 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.463 20.277 -2.470 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.401 18.663 -3.850 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.250 18.937 -5.602 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.147 20.098 -4.594 1.00 0.00 H new ATOM 693 N ALA A 47 3.824 21.647 -6.458 1.00 0.00 N ATOM 694 CA ALA A 47 5.115 22.286 -6.847 1.00 0.00 C ATOM 695 C ALA A 47 5.880 21.253 -7.669 1.00 0.00 C ATOM 696 O ALA A 47 6.349 21.552 -8.749 1.00 0.00 O ATOM 697 CB ALA A 47 5.971 22.649 -5.614 1.00 0.00 C ATOM 0 H ALA A 47 3.696 20.715 -6.851 1.00 0.00 H new ATOM 0 HA ALA A 47 4.914 23.205 -7.397 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.902 23.112 -5.941 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.421 23.347 -4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.195 21.745 -5.047 1.00 0.00 H new ATOM 703 N ALA A 48 5.953 20.081 -7.078 1.00 0.00 N ATOM 704 CA ALA A 48 6.641 18.856 -7.613 1.00 0.00 C ATOM 705 C ALA A 48 7.972 18.809 -6.843 1.00 0.00 C ATOM 706 O ALA A 48 8.571 17.770 -6.645 1.00 0.00 O ATOM 707 CB ALA A 48 6.954 18.937 -9.138 1.00 0.00 C ATOM 0 H ALA A 48 5.524 19.915 -6.167 1.00 0.00 H new ATOM 0 HA ALA A 48 6.004 17.981 -7.485 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.450 18.020 -9.457 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.025 19.059 -9.694 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.607 19.789 -9.331 1.00 0.00 H new ATOM 713 N ASP A 49 8.367 19.991 -6.433 1.00 0.00 N ATOM 714 CA ASP A 49 9.614 20.231 -5.666 1.00 0.00 C ATOM 715 C ASP A 49 9.238 20.277 -4.171 1.00 0.00 C ATOM 716 O ASP A 49 10.096 20.338 -3.310 1.00 0.00 O ATOM 717 CB ASP A 49 10.216 21.582 -6.110 1.00 0.00 C ATOM 718 CG ASP A 49 10.366 21.644 -7.645 1.00 0.00 C ATOM 719 OD1 ASP A 49 9.335 21.700 -8.300 1.00 0.00 O ATOM 720 OD2 ASP A 49 11.504 21.633 -8.083 1.00 0.00 O ATOM 0 H ASP A 49 7.836 20.843 -6.615 1.00 0.00 H new ATOM 0 HA ASP A 49 10.349 19.445 -5.840 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.578 22.398 -5.770 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.189 21.722 -5.640 1.00 0.00 H new ATOM 725 N ASP A 50 7.948 20.240 -3.931 1.00 0.00 N ATOM 726 CA ASP A 50 7.370 20.271 -2.552 1.00 0.00 C ATOM 727 C ASP A 50 6.762 18.884 -2.283 1.00 0.00 C ATOM 728 O ASP A 50 6.208 18.632 -1.230 1.00 0.00 O ATOM 729 CB ASP A 50 6.277 21.357 -2.480 1.00 0.00 C ATOM 730 CG ASP A 50 5.713 21.457 -1.050 1.00 0.00 C ATOM 731 OD1 ASP A 50 6.488 21.817 -0.179 1.00 0.00 O ATOM 732 OD2 ASP A 50 4.536 21.166 -0.909 1.00 0.00 O ATOM 0 H ASP A 50 7.245 20.187 -4.668 1.00 0.00 H new ATOM 0 HA ASP A 50 8.132 20.503 -1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.691 22.319 -2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.474 21.121 -3.179 1.00 0.00 H new ATOM 737 N LYS A 51 6.894 18.019 -3.259 1.00 0.00 N ATOM 738 CA LYS A 51 6.363 16.635 -3.142 1.00 0.00 C ATOM 739 C LYS A 51 7.541 15.880 -2.588 1.00 0.00 C ATOM 740 O LYS A 51 7.381 15.183 -1.616 1.00 0.00 O ATOM 741 CB LYS A 51 6.023 15.990 -4.489 1.00 0.00 C ATOM 742 CG LYS A 51 4.778 16.602 -5.099 1.00 0.00 C ATOM 743 CD LYS A 51 4.413 15.760 -6.328 1.00 0.00 C ATOM 744 CE LYS A 51 3.135 16.305 -6.952 1.00 0.00 C ATOM 745 NZ LYS A 51 2.775 15.516 -8.162 1.00 0.00 N ATOM 0 H LYS A 51 7.356 18.222 -4.145 1.00 0.00 H new ATOM 0 HA LYS A 51 5.446 16.627 -2.553 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.862 16.111 -5.174 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.874 14.919 -4.353 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.960 16.607 -4.379 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.959 17.639 -5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.225 15.785 -7.054 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.275 14.718 -6.041 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.322 16.264 -6.227 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.271 17.353 -7.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.525 16.163 -8.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.585 14.930 -8.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.963 14.902 -7.947 1.00 0.00 H new ATOM 759 N GLN A 52 8.668 16.044 -3.237 1.00 0.00 N ATOM 760 CA GLN A 52 9.951 15.381 -2.840 1.00 0.00 C ATOM 761 C GLN A 52 9.994 14.890 -1.370 1.00 0.00 C ATOM 762 O GLN A 52 10.217 13.717 -1.172 1.00 0.00 O ATOM 763 CB GLN A 52 11.107 16.396 -3.136 1.00 0.00 C ATOM 764 CG GLN A 52 12.250 15.710 -3.923 1.00 0.00 C ATOM 765 CD GLN A 52 11.799 15.231 -5.324 1.00 0.00 C ATOM 766 OE1 GLN A 52 10.566 15.386 -5.725 1.00 0.00 O flip ATOM 767 NE2 GLN A 52 12.590 14.699 -6.078 1.00 0.00 N flip ATOM 0 H GLN A 52 8.753 16.637 -4.062 1.00 0.00 H new ATOM 0 HA GLN A 52 10.058 14.467 -3.424 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.720 17.239 -3.708 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.494 16.797 -2.199 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.082 16.406 -4.031 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.619 14.858 -3.352 1.00 0.00 H new ATOM 0 HE21 GLN A 52 13.559 14.566 -5.789 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.285 14.386 -6.999 1.00 0.00 H new ATOM 776 N PRO A 53 9.782 15.741 -0.386 1.00 0.00 N ATOM 777 CA PRO A 53 9.606 15.315 1.040 1.00 0.00 C ATOM 778 C PRO A 53 8.614 14.151 1.265 1.00 0.00 C ATOM 779 O PRO A 53 8.961 13.115 1.800 1.00 0.00 O ATOM 780 CB PRO A 53 9.184 16.612 1.762 1.00 0.00 C ATOM 781 CG PRO A 53 8.654 17.508 0.614 1.00 0.00 C ATOM 782 CD PRO A 53 9.655 17.221 -0.506 1.00 0.00 C ATOM 0 HA PRO A 53 10.528 14.885 1.431 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.415 16.423 2.511 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.025 17.076 2.278 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.636 17.244 0.328 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.644 18.562 0.891 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.282 17.527 -1.483 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.606 17.732 -0.353 1.00 0.00 H new ATOM 790 N TYR A 54 7.401 14.373 0.828 1.00 0.00 N ATOM 791 CA TYR A 54 6.301 13.357 0.965 1.00 0.00 C ATOM 792 C TYR A 54 6.606 12.142 0.091 1.00 0.00 C ATOM 793 O TYR A 54 6.508 11.002 0.502 1.00 0.00 O ATOM 794 CB TYR A 54 4.972 13.989 0.516 1.00 0.00 C ATOM 795 CG TYR A 54 4.555 15.162 1.424 1.00 0.00 C ATOM 796 CD1 TYR A 54 4.535 15.036 2.803 1.00 0.00 C ATOM 797 CD2 TYR A 54 4.184 16.368 0.862 1.00 0.00 C ATOM 798 CE1 TYR A 54 4.150 16.097 3.596 1.00 0.00 C ATOM 799 CE2 TYR A 54 3.800 17.427 1.655 1.00 0.00 C ATOM 800 CZ TYR A 54 3.780 17.300 3.029 1.00 0.00 C ATOM 801 OH TYR A 54 3.396 18.361 3.823 1.00 0.00 O ATOM 0 H TYR A 54 7.115 15.238 0.369 1.00 0.00 H new ATOM 0 HA TYR A 54 6.228 13.040 2.005 1.00 0.00 H new ATOM 0 HB2 TYR A 54 5.067 14.341 -0.511 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.190 13.230 0.522 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.823 14.101 3.261 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.195 16.482 -0.212 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.138 15.986 4.670 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.513 18.363 1.198 1.00 0.00 H new ATOM 0 HH TYR A 54 3.170 19.128 3.257 1.00 0.00 H new ATOM 811 N GLU A 55 6.968 12.454 -1.120 1.00 0.00 N ATOM 812 CA GLU A 55 7.314 11.423 -2.132 1.00 0.00 C ATOM 813 C GLU A 55 8.361 10.451 -1.590 1.00 0.00 C ATOM 814 O GLU A 55 8.131 9.263 -1.562 1.00 0.00 O ATOM 815 CB GLU A 55 7.813 12.175 -3.381 1.00 0.00 C ATOM 816 CG GLU A 55 6.962 11.776 -4.594 1.00 0.00 C ATOM 817 CD GLU A 55 7.426 12.567 -5.832 1.00 0.00 C ATOM 818 OE1 GLU A 55 8.568 12.367 -6.217 1.00 0.00 O ATOM 819 OE2 GLU A 55 6.614 13.333 -6.326 1.00 0.00 O ATOM 0 H GLU A 55 7.040 13.413 -1.459 1.00 0.00 H new ATOM 0 HA GLU A 55 6.447 10.813 -2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.752 13.251 -3.219 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.861 11.939 -3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.053 10.706 -4.779 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.909 11.977 -4.395 1.00 0.00 H new ATOM 826 N LYS A 56 9.480 10.988 -1.181 1.00 0.00 N ATOM 827 CA LYS A 56 10.610 10.192 -0.617 1.00 0.00 C ATOM 828 C LYS A 56 10.090 9.095 0.329 1.00 0.00 C ATOM 829 O LYS A 56 10.560 7.973 0.315 1.00 0.00 O ATOM 830 CB LYS A 56 11.538 11.199 0.111 1.00 0.00 C ATOM 831 CG LYS A 56 12.781 10.544 0.755 1.00 0.00 C ATOM 832 CD LYS A 56 13.715 9.953 -0.324 1.00 0.00 C ATOM 833 CE LYS A 56 15.014 9.471 0.348 1.00 0.00 C ATOM 834 NZ LYS A 56 15.927 8.878 -0.671 1.00 0.00 N ATOM 0 H LYS A 56 9.663 11.991 -1.217 1.00 0.00 H new ATOM 0 HA LYS A 56 11.161 9.671 -1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.865 11.958 -0.600 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.967 11.712 0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.322 11.284 1.344 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.468 9.757 1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.224 9.124 -0.834 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.939 10.705 -1.081 1.00 0.00 H new ATOM 0 HE2 LYS A 56 15.506 10.306 0.847 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.783 8.732 1.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.801 8.556 -0.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 15.459 8.070 -1.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 16.159 9.595 -1.388 1.00 0.00 H new ATOM 848 N LYS A 57 9.110 9.470 1.118 1.00 0.00 N ATOM 849 CA LYS A 57 8.507 8.510 2.094 1.00 0.00 C ATOM 850 C LYS A 57 7.732 7.454 1.312 1.00 0.00 C ATOM 851 O LYS A 57 8.047 6.282 1.375 1.00 0.00 O ATOM 852 CB LYS A 57 7.557 9.285 3.050 1.00 0.00 C ATOM 853 CG LYS A 57 8.278 9.749 4.335 1.00 0.00 C ATOM 854 CD LYS A 57 8.453 8.540 5.290 1.00 0.00 C ATOM 855 CE LYS A 57 8.954 9.017 6.666 1.00 0.00 C ATOM 856 NZ LYS A 57 10.316 9.612 6.553 1.00 0.00 N ATOM 0 H LYS A 57 8.701 10.404 1.127 1.00 0.00 H new ATOM 0 HA LYS A 57 9.281 8.026 2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.149 10.152 2.531 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.714 8.648 3.318 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.250 10.175 4.087 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.702 10.534 4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.504 8.016 5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.161 7.830 4.863 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.263 9.754 7.075 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.975 8.178 7.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.671 9.850 7.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.958 8.927 6.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.271 10.475 5.974 1.00 0.00 H new ATOM 870 N ALA A 58 6.737 7.912 0.595 1.00 0.00 N ATOM 871 CA ALA A 58 5.892 6.993 -0.228 1.00 0.00 C ATOM 872 C ALA A 58 6.751 5.959 -0.968 1.00 0.00 C ATOM 873 O ALA A 58 6.458 4.784 -0.958 1.00 0.00 O ATOM 874 CB ALA A 58 5.094 7.819 -1.239 1.00 0.00 C ATOM 0 H ALA A 58 6.471 8.895 0.544 1.00 0.00 H new ATOM 0 HA ALA A 58 5.216 6.454 0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.475 7.156 -1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.457 8.527 -0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.781 8.364 -1.887 1.00 0.00 H new ATOM 880 N ALA A 59 7.800 6.440 -1.585 1.00 0.00 N ATOM 881 CA ALA A 59 8.737 5.569 -2.351 1.00 0.00 C ATOM 882 C ALA A 59 9.318 4.462 -1.459 1.00 0.00 C ATOM 883 O ALA A 59 9.130 3.296 -1.735 1.00 0.00 O ATOM 884 CB ALA A 59 9.860 6.453 -2.911 1.00 0.00 C ATOM 0 H ALA A 59 8.051 7.429 -1.588 1.00 0.00 H new ATOM 0 HA ALA A 59 8.201 5.080 -3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.560 5.838 -3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.433 7.212 -3.566 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.386 6.938 -2.088 1.00 0.00 H new ATOM 890 N LYS A 60 10.006 4.855 -0.415 1.00 0.00 N ATOM 891 CA LYS A 60 10.624 3.883 0.536 1.00 0.00 C ATOM 892 C LYS A 60 9.607 2.808 0.955 1.00 0.00 C ATOM 893 O LYS A 60 9.919 1.635 1.009 1.00 0.00 O ATOM 894 CB LYS A 60 11.126 4.645 1.782 1.00 0.00 C ATOM 895 CG LYS A 60 12.221 3.790 2.475 1.00 0.00 C ATOM 896 CD LYS A 60 12.083 3.846 4.005 1.00 0.00 C ATOM 897 CE LYS A 60 13.267 3.082 4.630 1.00 0.00 C ATOM 898 NZ LYS A 60 13.062 2.928 6.097 1.00 0.00 N ATOM 0 H LYS A 60 10.168 5.834 -0.178 1.00 0.00 H new ATOM 0 HA LYS A 60 11.460 3.387 0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.529 5.616 1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.301 4.833 2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.147 2.756 2.138 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.207 4.150 2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.077 4.881 4.347 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.138 3.401 4.317 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.363 2.101 4.164 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.197 3.618 4.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.429 2.005 6.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.567 3.686 6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.046 2.986 6.314 1.00 0.00 H new ATOM 912 N LEU A 61 8.402 3.234 1.244 1.00 0.00 N ATOM 913 CA LEU A 61 7.363 2.242 1.661 1.00 0.00 C ATOM 914 C LEU A 61 6.973 1.369 0.461 1.00 0.00 C ATOM 915 O LEU A 61 6.925 0.162 0.595 1.00 0.00 O ATOM 916 CB LEU A 61 6.192 3.058 2.234 1.00 0.00 C ATOM 917 CG LEU A 61 6.767 3.965 3.378 1.00 0.00 C ATOM 918 CD1 LEU A 61 5.635 4.792 3.980 1.00 0.00 C ATOM 919 CD2 LEU A 61 7.472 3.111 4.480 1.00 0.00 C ATOM 0 H LEU A 61 8.096 4.207 1.211 1.00 0.00 H new ATOM 0 HA LEU A 61 7.719 1.550 2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.732 3.667 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.417 2.397 2.621 1.00 0.00 H new ATOM 0 HG LEU A 61 7.518 4.631 2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.029 5.424 4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.190 5.418 3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.875 4.126 4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.859 3.769 5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.754 2.416 4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.295 2.551 4.036 1.00 0.00 H new ATOM 931 N LYS A 62 6.697 1.969 -0.669 1.00 0.00 N ATOM 932 CA LYS A 62 6.322 1.191 -1.899 1.00 0.00 C ATOM 933 C LYS A 62 7.378 0.064 -2.050 1.00 0.00 C ATOM 934 O LYS A 62 7.072 -1.092 -2.271 1.00 0.00 O ATOM 935 CB LYS A 62 6.362 2.118 -3.132 1.00 0.00 C ATOM 936 CG LYS A 62 5.633 1.426 -4.305 1.00 0.00 C ATOM 937 CD LYS A 62 5.765 2.296 -5.571 1.00 0.00 C ATOM 938 CE LYS A 62 4.878 1.710 -6.685 1.00 0.00 C ATOM 939 NZ LYS A 62 5.046 2.502 -7.937 1.00 0.00 N ATOM 0 H LYS A 62 6.715 2.981 -0.798 1.00 0.00 H new ATOM 0 HA LYS A 62 5.316 0.779 -1.817 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.885 3.071 -2.902 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.394 2.336 -3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.060 0.439 -4.482 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.581 1.279 -4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.467 3.322 -5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.805 2.329 -5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.145 0.669 -6.865 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.833 1.722 -6.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.445 2.101 -8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.770 3.489 -7.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.041 2.469 -8.238 1.00 0.00 H new ATOM 953 N GLU A 63 8.618 0.472 -1.922 1.00 0.00 N ATOM 954 CA GLU A 63 9.784 -0.450 -2.026 1.00 0.00 C ATOM 955 C GLU A 63 9.535 -1.602 -1.037 1.00 0.00 C ATOM 956 O GLU A 63 9.537 -2.749 -1.440 1.00 0.00 O ATOM 957 CB GLU A 63 11.065 0.363 -1.673 1.00 0.00 C ATOM 958 CG GLU A 63 12.357 -0.443 -1.967 1.00 0.00 C ATOM 959 CD GLU A 63 13.577 0.381 -1.494 1.00 0.00 C ATOM 960 OE1 GLU A 63 13.778 1.445 -2.060 1.00 0.00 O ATOM 961 OE2 GLU A 63 14.239 -0.100 -0.589 1.00 0.00 O ATOM 0 H GLU A 63 8.874 1.443 -1.743 1.00 0.00 H new ATOM 0 HA GLU A 63 9.914 -0.867 -3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.077 1.290 -2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.041 0.640 -0.619 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.328 -1.403 -1.452 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.435 -0.655 -3.033 1.00 0.00 H new ATOM 968 N LYS A 64 9.319 -1.275 0.221 1.00 0.00 N ATOM 969 CA LYS A 64 9.065 -2.367 1.224 1.00 0.00 C ATOM 970 C LYS A 64 7.977 -3.342 0.754 1.00 0.00 C ATOM 971 O LYS A 64 8.187 -4.535 0.752 1.00 0.00 O ATOM 972 CB LYS A 64 8.633 -1.766 2.581 1.00 0.00 C ATOM 973 CG LYS A 64 9.872 -1.221 3.304 1.00 0.00 C ATOM 974 CD LYS A 64 9.466 -0.810 4.734 1.00 0.00 C ATOM 975 CE LYS A 64 10.716 -0.417 5.534 1.00 0.00 C ATOM 976 NZ LYS A 64 11.392 0.746 4.901 1.00 0.00 N ATOM 0 H LYS A 64 9.307 -0.324 0.590 1.00 0.00 H new ATOM 0 HA LYS A 64 10.001 -2.915 1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.907 -0.968 2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.145 -2.526 3.191 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.655 -1.979 3.336 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.278 -0.365 2.765 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.768 0.026 4.698 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.951 -1.634 5.227 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.437 -0.170 6.558 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.403 -1.262 5.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.412 0.706 5.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.240 0.718 3.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.998 1.628 5.285 1.00 0.00 H new ATOM 990 N TYR A 65 6.846 -2.801 0.372 1.00 0.00 N ATOM 991 CA TYR A 65 5.689 -3.617 -0.115 1.00 0.00 C ATOM 992 C TYR A 65 6.175 -4.691 -1.073 1.00 0.00 C ATOM 993 O TYR A 65 5.970 -5.866 -0.844 1.00 0.00 O ATOM 994 CB TYR A 65 4.689 -2.629 -0.788 1.00 0.00 C ATOM 995 CG TYR A 65 3.484 -3.261 -1.521 1.00 0.00 C ATOM 996 CD1 TYR A 65 3.652 -3.849 -2.761 1.00 0.00 C ATOM 997 CD2 TYR A 65 2.212 -3.227 -0.985 1.00 0.00 C ATOM 998 CE1 TYR A 65 2.587 -4.386 -3.449 1.00 0.00 C ATOM 999 CE2 TYR A 65 1.147 -3.762 -1.677 1.00 0.00 C ATOM 1000 CZ TYR A 65 1.324 -4.344 -2.910 1.00 0.00 C ATOM 1001 OH TYR A 65 0.243 -4.874 -3.585 1.00 0.00 O ATOM 0 H TYR A 65 6.672 -1.796 0.378 1.00 0.00 H new ATOM 0 HA TYR A 65 5.190 -4.139 0.701 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.307 -1.955 -0.021 1.00 0.00 H new ATOM 0 HB3 TYR A 65 5.241 -2.018 -1.502 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.639 -3.888 -3.199 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.050 -2.778 -0.016 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.745 -4.842 -4.415 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.158 -3.723 -1.244 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.568 -4.754 -3.049 1.00 0.00 H new ATOM 1011 N GLU A 66 6.817 -4.245 -2.118 1.00 0.00 N ATOM 1012 CA GLU A 66 7.347 -5.191 -3.140 1.00 0.00 C ATOM 1013 C GLU A 66 8.342 -6.200 -2.555 1.00 0.00 C ATOM 1014 O GLU A 66 8.489 -7.287 -3.074 1.00 0.00 O ATOM 1015 CB GLU A 66 8.060 -4.427 -4.242 1.00 0.00 C ATOM 1016 CG GLU A 66 7.119 -3.392 -4.910 1.00 0.00 C ATOM 1017 CD GLU A 66 7.073 -3.618 -6.433 1.00 0.00 C ATOM 1018 OE1 GLU A 66 8.104 -3.415 -7.054 1.00 0.00 O ATOM 1019 OE2 GLU A 66 6.003 -3.985 -6.891 1.00 0.00 O ATOM 0 H GLU A 66 6.998 -3.259 -2.309 1.00 0.00 H new ATOM 0 HA GLU A 66 6.484 -5.734 -3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.930 -3.917 -3.829 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.427 -5.126 -4.993 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.116 -3.479 -4.492 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.467 -2.382 -4.696 1.00 0.00 H new ATOM 1026 N LYS A 67 8.988 -5.811 -1.490 1.00 0.00 N ATOM 1027 CA LYS A 67 9.992 -6.700 -0.827 1.00 0.00 C ATOM 1028 C LYS A 67 9.393 -7.706 0.139 1.00 0.00 C ATOM 1029 O LYS A 67 9.976 -8.732 0.430 1.00 0.00 O ATOM 1030 CB LYS A 67 11.010 -5.840 -0.055 1.00 0.00 C ATOM 1031 CG LYS A 67 12.288 -5.654 -0.866 1.00 0.00 C ATOM 1032 CD LYS A 67 12.073 -4.756 -2.099 1.00 0.00 C ATOM 1033 CE LYS A 67 13.400 -4.650 -2.867 1.00 0.00 C ATOM 1034 NZ LYS A 67 13.239 -3.753 -4.046 1.00 0.00 N ATOM 0 H LYS A 67 8.863 -4.903 -1.043 1.00 0.00 H new ATOM 0 HA LYS A 67 10.461 -7.267 -1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.573 -4.867 0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.245 -6.314 0.898 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.058 -5.217 -0.231 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.656 -6.628 -1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.297 -5.174 -2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.734 -3.767 -1.792 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.179 -4.264 -2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.720 -5.639 -3.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.142 -3.688 -4.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.509 -4.138 -4.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.954 -2.806 -3.725 1.00 0.00 H new ATOM 1048 N ASP A 68 8.234 -7.358 0.593 1.00 0.00 N ATOM 1049 CA ASP A 68 7.481 -8.191 1.548 1.00 0.00 C ATOM 1050 C ASP A 68 6.684 -9.183 0.759 1.00 0.00 C ATOM 1051 O ASP A 68 6.408 -10.260 1.242 1.00 0.00 O ATOM 1052 CB ASP A 68 6.536 -7.331 2.359 1.00 0.00 C ATOM 1053 CG ASP A 68 7.309 -6.379 3.293 1.00 0.00 C ATOM 1054 OD1 ASP A 68 8.087 -6.893 4.081 1.00 0.00 O ATOM 1055 OD2 ASP A 68 7.073 -5.186 3.171 1.00 0.00 O ATOM 0 H ASP A 68 7.760 -6.494 0.329 1.00 0.00 H new ATOM 0 HA ASP A 68 8.169 -8.693 2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.902 -6.751 1.688 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.877 -7.968 2.949 1.00 0.00 H new ATOM 1060 N ILE A 69 6.341 -8.798 -0.437 1.00 0.00 N ATOM 1061 CA ILE A 69 5.550 -9.745 -1.255 1.00 0.00 C ATOM 1062 C ILE A 69 6.570 -10.675 -1.892 1.00 0.00 C ATOM 1063 O ILE A 69 6.407 -11.875 -1.942 1.00 0.00 O ATOM 1064 CB ILE A 69 4.728 -8.941 -2.307 1.00 0.00 C ATOM 1065 CG1 ILE A 69 4.033 -9.893 -3.268 1.00 0.00 C ATOM 1066 CG2 ILE A 69 5.600 -8.027 -3.157 1.00 0.00 C ATOM 1067 CD1 ILE A 69 3.341 -11.029 -2.502 1.00 0.00 C ATOM 0 H ILE A 69 6.565 -7.902 -0.869 1.00 0.00 H new ATOM 0 HA ILE A 69 4.828 -10.324 -0.679 1.00 0.00 H new ATOM 0 HB ILE A 69 4.017 -8.342 -1.738 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.299 -9.347 -3.861 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.760 -10.308 -3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.976 -7.491 -3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.111 -7.311 -2.514 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.337 -8.624 -3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.850 -11.698 -3.209 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.082 -11.586 -1.930 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.598 -10.610 -1.823 1.00 0.00 H new ATOM 1079 N ALA A 70 7.617 -10.063 -2.353 1.00 0.00 N ATOM 1080 CA ALA A 70 8.720 -10.818 -3.002 1.00 0.00 C ATOM 1081 C ALA A 70 9.281 -11.823 -1.992 1.00 0.00 C ATOM 1082 O ALA A 70 9.791 -12.850 -2.384 1.00 0.00 O ATOM 1083 CB ALA A 70 9.826 -9.849 -3.441 1.00 0.00 C ATOM 0 H ALA A 70 7.759 -9.054 -2.308 1.00 0.00 H new ATOM 0 HA ALA A 70 8.346 -11.342 -3.881 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.632 -10.408 -3.916 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.418 -9.128 -4.149 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.215 -9.322 -2.570 1.00 0.00 H new ATOM 1089 N ALA A 71 9.154 -11.496 -0.728 1.00 0.00 N ATOM 1090 CA ALA A 71 9.660 -12.384 0.359 1.00 0.00 C ATOM 1091 C ALA A 71 8.561 -13.366 0.760 1.00 0.00 C ATOM 1092 O ALA A 71 8.845 -14.483 1.145 1.00 0.00 O ATOM 1093 CB ALA A 71 10.060 -11.531 1.568 1.00 0.00 C ATOM 0 H ALA A 71 8.713 -10.636 -0.402 1.00 0.00 H new ATOM 0 HA ALA A 71 10.530 -12.939 0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.430 -12.178 2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 71 10.843 -10.831 1.276 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.192 -10.977 1.925 1.00 0.00 H new ATOM 1099 N TYR A 72 7.335 -12.921 0.664 1.00 0.00 N ATOM 1100 CA TYR A 72 6.181 -13.803 1.025 1.00 0.00 C ATOM 1101 C TYR A 72 5.998 -14.951 0.022 1.00 0.00 C ATOM 1102 O TYR A 72 5.645 -16.053 0.401 1.00 0.00 O ATOM 1103 CB TYR A 72 4.910 -12.951 1.067 1.00 0.00 C ATOM 1104 CG TYR A 72 4.616 -12.447 2.498 1.00 0.00 C ATOM 1105 CD1 TYR A 72 5.617 -11.988 3.335 1.00 0.00 C ATOM 1106 CD2 TYR A 72 3.314 -12.448 2.967 1.00 0.00 C ATOM 1107 CE1 TYR A 72 5.324 -11.543 4.607 1.00 0.00 C ATOM 1108 CE2 TYR A 72 3.023 -12.003 4.240 1.00 0.00 C ATOM 1109 CZ TYR A 72 4.027 -11.548 5.069 1.00 0.00 C ATOM 1110 OH TYR A 72 3.736 -11.109 6.345 1.00 0.00 O ATOM 0 H TYR A 72 7.081 -11.984 0.351 1.00 0.00 H new ATOM 0 HA TYR A 72 6.381 -14.250 1.999 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.018 -12.100 0.395 1.00 0.00 H new ATOM 0 HB3 TYR A 72 4.065 -13.537 0.705 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.640 -11.978 2.988 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.517 -12.801 2.329 1.00 0.00 H new ATOM 0 HE1 TYR A 72 6.119 -11.188 5.246 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.001 -12.011 4.590 1.00 0.00 H new ATOM 0 HH TYR A 72 4.384 -10.424 6.611 1.00 0.00 H new ATOM 1120 N ARG A 73 6.248 -14.658 -1.227 1.00 0.00 N ATOM 1121 CA ARG A 73 6.109 -15.676 -2.308 1.00 0.00 C ATOM 1122 C ARG A 73 7.400 -16.454 -2.465 1.00 0.00 C ATOM 1123 O ARG A 73 7.387 -17.600 -2.870 1.00 0.00 O ATOM 1124 CB ARG A 73 5.794 -14.994 -3.649 1.00 0.00 C ATOM 1125 CG ARG A 73 4.377 -14.363 -3.681 1.00 0.00 C ATOM 1126 CD ARG A 73 3.574 -14.963 -4.861 1.00 0.00 C ATOM 1127 NE ARG A 73 4.367 -14.800 -6.121 1.00 0.00 N ATOM 1128 CZ ARG A 73 3.874 -14.165 -7.151 1.00 0.00 C ATOM 1129 NH1 ARG A 73 2.995 -14.772 -7.900 1.00 0.00 N ATOM 1130 NH2 ARG A 73 4.277 -12.949 -7.393 1.00 0.00 N ATOM 0 H ARG A 73 6.548 -13.738 -1.549 1.00 0.00 H new ATOM 0 HA ARG A 73 5.297 -16.349 -2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.537 -14.220 -3.841 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.880 -15.725 -4.453 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.860 -14.554 -2.740 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.451 -13.281 -3.790 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.368 -16.018 -4.679 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.611 -14.462 -4.955 1.00 0.00 H new ATOM 0 HE ARG A 73 5.307 -15.191 -6.176 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.705 -15.724 -7.677 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.598 -14.294 -8.709 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.966 -12.509 -6.783 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.903 -12.438 -8.193 1.00 0.00 H new ATOM 1144 N ALA A 74 8.475 -15.795 -2.133 1.00 0.00 N ATOM 1145 CA ALA A 74 9.803 -16.457 -2.249 1.00 0.00 C ATOM 1146 C ALA A 74 10.189 -17.157 -0.951 1.00 0.00 C ATOM 1147 O ALA A 74 11.097 -17.967 -0.957 1.00 0.00 O ATOM 1148 CB ALA A 74 10.857 -15.416 -2.573 1.00 0.00 C ATOM 0 H ALA A 74 8.492 -14.835 -1.789 1.00 0.00 H new ATOM 0 HA ALA A 74 9.741 -17.202 -3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 74 11.831 -15.898 -2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.609 -14.929 -3.516 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.890 -14.671 -1.778 1.00 0.00 H new ATOM 1154 N LYS A 75 9.503 -16.840 0.123 1.00 0.00 N ATOM 1155 CA LYS A 75 9.863 -17.502 1.417 1.00 0.00 C ATOM 1156 C LYS A 75 8.760 -17.425 2.491 1.00 0.00 C ATOM 1157 O LYS A 75 9.010 -17.013 3.609 1.00 0.00 O ATOM 1158 CB LYS A 75 11.179 -16.835 1.915 1.00 0.00 C ATOM 1159 CG LYS A 75 12.043 -17.873 2.656 1.00 0.00 C ATOM 1160 CD LYS A 75 13.326 -17.181 3.159 1.00 0.00 C ATOM 1161 CE LYS A 75 14.360 -18.245 3.549 1.00 0.00 C ATOM 1162 NZ LYS A 75 15.579 -17.596 4.112 1.00 0.00 N ATOM 0 H LYS A 75 8.733 -16.172 0.161 1.00 0.00 H new ATOM 0 HA LYS A 75 9.992 -18.570 1.240 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.732 -16.425 1.070 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.947 -16.002 2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.489 -18.297 3.494 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.295 -18.699 1.991 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.731 -16.532 2.382 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.098 -16.548 4.017 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.931 -18.928 4.282 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.627 -18.841 2.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 16.272 -18.326 4.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.995 -16.962 3.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.321 -17.047 4.956 1.00 0.00 H new ATOM 1176 N GLY A 76 7.565 -17.820 2.131 1.00 0.00 N ATOM 1177 CA GLY A 76 6.429 -17.792 3.096 1.00 0.00 C ATOM 1178 C GLY A 76 5.987 -19.235 3.298 1.00 0.00 C ATOM 1179 O GLY A 76 6.505 -19.913 4.161 1.00 0.00 O ATOM 0 H GLY A 76 7.328 -18.164 1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.736 -17.346 4.042 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.609 -17.187 2.710 1.00 0.00 H new ATOM 1183 N LYS A 77 5.052 -19.668 2.490 1.00 0.00 N ATOM 1184 CA LYS A 77 4.513 -21.075 2.566 1.00 0.00 C ATOM 1185 C LYS A 77 4.214 -21.475 4.048 1.00 0.00 C ATOM 1186 O LYS A 77 4.094 -20.591 4.875 1.00 0.00 O ATOM 1187 CB LYS A 77 5.594 -21.996 1.876 1.00 0.00 C ATOM 1188 CG LYS A 77 6.243 -21.214 0.685 1.00 0.00 C ATOM 1189 CD LYS A 77 7.046 -22.107 -0.280 1.00 0.00 C ATOM 1190 CE LYS A 77 6.064 -22.886 -1.182 1.00 0.00 C ATOM 1191 NZ LYS A 77 6.811 -23.624 -2.241 1.00 0.00 N ATOM 0 H LYS A 77 4.625 -19.096 1.761 1.00 0.00 H new ATOM 0 HA LYS A 77 3.559 -21.180 2.050 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.358 -22.285 2.597 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.131 -22.915 1.516 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.458 -20.705 0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.901 -20.443 1.085 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.713 -21.497 -0.889 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.672 -22.801 0.282 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.484 -23.586 -0.581 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.355 -22.197 -1.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.139 -24.144 -2.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.345 -22.948 -2.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.470 -24.295 -1.797 1.00 0.00 H new ATOM 1205 N PRO A 78 4.081 -22.744 4.387 1.00 0.00 N ATOM 1206 CA PRO A 78 4.044 -23.186 5.814 1.00 0.00 C ATOM 1207 C PRO A 78 5.423 -23.107 6.511 1.00 0.00 C ATOM 1208 O PRO A 78 5.722 -23.909 7.375 1.00 0.00 O ATOM 1209 CB PRO A 78 3.485 -24.629 5.742 1.00 0.00 C ATOM 1210 CG PRO A 78 2.912 -24.738 4.301 1.00 0.00 C ATOM 1211 CD PRO A 78 3.894 -23.897 3.471 1.00 0.00 C ATOM 0 HA PRO A 78 3.424 -22.533 6.429 1.00 0.00 H new ATOM 0 HB2 PRO A 78 4.266 -25.369 5.918 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.712 -24.796 6.493 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.877 -25.772 3.958 1.00 0.00 H new ATOM 0 HG3 PRO A 78 1.896 -24.348 4.241 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.826 -24.424 3.268 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.479 -23.601 2.508 1.00 0.00 H new ATOM 1219 N ASP A 79 6.223 -22.143 6.122 1.00 0.00 N ATOM 1220 CA ASP A 79 7.573 -21.941 6.699 1.00 0.00 C ATOM 1221 C ASP A 79 7.775 -20.429 6.898 1.00 0.00 C ATOM 1222 O ASP A 79 6.869 -19.629 6.763 1.00 0.00 O ATOM 1223 CB ASP A 79 8.599 -22.526 5.711 1.00 0.00 C ATOM 1224 CG ASP A 79 8.285 -24.018 5.492 1.00 0.00 C ATOM 1225 OD1 ASP A 79 8.526 -24.770 6.423 1.00 0.00 O ATOM 1226 OD2 ASP A 79 7.814 -24.316 4.407 1.00 0.00 O ATOM 0 H ASP A 79 5.977 -21.467 5.399 1.00 0.00 H new ATOM 0 HA ASP A 79 7.694 -22.439 7.661 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.558 -21.989 4.763 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.609 -22.407 6.102 1.00 0.00 H new ATOM 1231 N ALA A 80 8.993 -20.115 7.224 1.00 0.00 N ATOM 1232 CA ALA A 80 9.432 -18.710 7.464 1.00 0.00 C ATOM 1233 C ALA A 80 10.849 -18.585 6.893 1.00 0.00 C ATOM 1234 O ALA A 80 11.108 -17.795 6.006 1.00 0.00 O ATOM 1235 CB ALA A 80 9.428 -18.427 8.978 1.00 0.00 C ATOM 0 H ALA A 80 9.737 -20.804 7.340 1.00 0.00 H new ATOM 0 HA ALA A 80 8.766 -17.991 6.987 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.748 -17.401 9.157 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.421 -18.567 9.372 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.112 -19.113 9.478 1.00 0.00 H new ATOM 1241 N ALA A 81 11.712 -19.398 7.450 1.00 0.00 N ATOM 1242 CA ALA A 81 13.149 -19.447 7.044 1.00 0.00 C ATOM 1243 C ALA A 81 13.491 -20.891 6.620 1.00 0.00 C ATOM 1244 O ALA A 81 13.982 -21.042 5.515 1.00 0.00 O ATOM 1245 CB ALA A 81 14.011 -19.013 8.241 1.00 0.00 C ATOM 1246 OXT ALA A 81 13.240 -21.771 7.429 1.00 0.00 O ATOM 0 H ALA A 81 11.469 -20.051 8.195 1.00 0.00 H new ATOM 0 HA ALA A 81 13.343 -18.777 6.207 1.00 0.00 H new ATOM 0 HB1 ALA A 81 15.064 -19.043 7.961 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.742 -17.998 8.534 1.00 0.00 H new ATOM 0 HB3 ALA A 81 13.839 -19.690 9.078 1.00 0.00 H new TER 1252 ALA A 81 HETATM 1253 C1 BME A 82 -7.666 8.796 -0.110 1.00 0.00 C HETATM 1254 C2 BME A 82 -6.546 9.834 0.048 1.00 0.00 C HETATM 1255 O1 BME A 82 -7.008 7.549 0.073 1.00 0.00 O HETATM 1256 S2 BME A 82 -7.011 11.574 -0.128 1.00 0.00 S HETATM 0 HO1 BME A 82 -6.276 7.657 0.715 1.00 0.00 H new HETATM 0 H22 BME A 82 -6.097 9.701 1.032 1.00 0.00 H new HETATM 0 H21 BME A 82 -5.773 9.613 -0.688 1.00 0.00 H new HETATM 0 H12 BME A 82 -8.454 8.944 0.629 1.00 0.00 H new HETATM 0 H11 BME A 82 -8.134 8.860 -1.092 1.00 0.00 H new