USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 615 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: X 10 TYR OH : rot -178:sc= 1.33 USER MOD Set 1.2: X 40 HIS : no HE2:sc= -0.769 K(o=0.56,f=-3.2) USER MOD Single : X 4 LYS NZ :NH3+ 140:sc= 1.24 (180deg=1.1) USER MOD Single : X 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 6 SER OG : rot 180:sc= 0 USER MOD Single : X 8 SER OG : rot 180:sc= 0 USER MOD Single : X 11 THR OG1 : rot 180:sc= -0.83! USER MOD Single : X 17 GLN : amide:sc= 0.0619 K(o=0.062,f=-0.66) USER MOD Single : X 20 LYS NZ :NH3+ 178:sc= 0.73 (180deg=0.726) USER MOD Single : X 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 26 ASN : amide:sc= 1.19 K(o=1.2,f=-0.16) USER MOD Single : X 30 THR OG1 : rot -70:sc= -5.42! USER MOD Single : X 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 45 THR OG1 : rot -26:sc= -3.24! USER MOD Single : X 47 HIS :FLIP no HE2:sc= -2.12 F(o=-3.4!,f=-2.1) USER MOD Single : X 51 THR OG1 : rot 180:sc= 0.00778 USER MOD Single : X 55 TYR OH : rot 180:sc= 0 USER MOD Single : X 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 80 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0281) USER MOD Single : X 86 ASN :FLIP amide:sc= -2.11! C(o=-2.9!,f=-2.1!) USER MOD Single : X 88 LYS NZ :NH3+ 178:sc= 1.25 (180deg=1.2) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 GLN :FLIP amide:sc= -0.136 F(o=-0.77,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU X 3 60.466 5.476 5.266 1.00 0.00 N ATOM 17 CA LEU X 3 61.559 6.321 4.842 1.00 0.00 C ATOM 18 C LEU X 3 61.911 7.296 5.916 1.00 0.00 C ATOM 19 O LEU X 3 61.034 7.786 6.635 1.00 0.00 O ATOM 20 CB LEU X 3 61.163 7.130 3.614 1.00 0.00 C ATOM 21 CG LEU X 3 60.911 6.352 2.353 1.00 0.00 C ATOM 22 CD1 LEU X 3 60.329 7.258 1.283 1.00 0.00 C ATOM 23 CD2 LEU X 3 62.206 5.773 1.880 1.00 0.00 C ATOM 0 HA LEU X 3 62.405 5.671 4.618 1.00 0.00 H new ATOM 0 HB2 LEU X 3 60.262 7.694 3.853 1.00 0.00 H new ATOM 0 HB3 LEU X 3 61.951 7.857 3.415 1.00 0.00 H new ATOM 0 HG LEU X 3 60.197 5.553 2.553 1.00 0.00 H new ATOM 0 HD11 LEU X 3 60.151 6.681 0.375 1.00 0.00 H new ATOM 0 HD12 LEU X 3 59.387 7.679 1.635 1.00 0.00 H new ATOM 0 HD13 LEU X 3 61.030 8.065 1.069 1.00 0.00 H new ATOM 0 HD21 LEU X 3 62.038 5.205 0.965 1.00 0.00 H new ATOM 0 HD22 LEU X 3 62.914 6.578 1.683 1.00 0.00 H new ATOM 0 HD23 LEU X 3 62.611 5.113 2.647 1.00 0.00 H new ATOM 35 N LYS X 4 63.172 7.562 6.048 1.00 0.00 N ATOM 36 CA LYS X 4 63.630 8.614 6.910 1.00 0.00 C ATOM 37 C LYS X 4 63.959 9.780 5.982 1.00 0.00 C ATOM 38 O LYS X 4 63.436 9.840 4.871 1.00 0.00 O ATOM 39 CB LYS X 4 64.899 8.211 7.699 1.00 0.00 C ATOM 40 CG LYS X 4 64.927 6.819 8.328 1.00 0.00 C ATOM 41 CD LYS X 4 63.632 6.376 8.887 1.00 0.00 C ATOM 42 CE LYS X 4 63.849 5.212 9.823 1.00 0.00 C ATOM 43 NZ LYS X 4 62.592 4.489 10.127 1.00 0.00 N ATOM 0 H LYS X 4 63.915 7.059 5.563 1.00 0.00 H new ATOM 0 HA LYS X 4 62.870 8.858 7.652 1.00 0.00 H new ATOM 0 HB2 LYS X 4 65.753 8.293 7.027 1.00 0.00 H new ATOM 0 HB3 LYS X 4 65.047 8.942 8.494 1.00 0.00 H new ATOM 0 HG2 LYS X 4 65.249 6.100 7.575 1.00 0.00 H new ATOM 0 HG3 LYS X 4 65.675 6.807 9.121 1.00 0.00 H new ATOM 0 HD2 LYS X 4 63.155 7.199 9.420 1.00 0.00 H new ATOM 0 HD3 LYS X 4 62.958 6.085 8.081 1.00 0.00 H new ATOM 0 HE2 LYS X 4 64.564 4.520 9.378 1.00 0.00 H new ATOM 0 HE3 LYS X 4 64.291 5.574 10.752 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 62.776 3.466 10.145 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 62.233 4.792 11.055 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 61.884 4.701 9.395 1.00 0.00 H new ATOM 57 N ASN X 5 64.761 10.714 6.409 1.00 0.00 N ATOM 58 CA ASN X 5 65.189 11.758 5.488 1.00 0.00 C ATOM 59 C ASN X 5 66.664 11.688 5.245 1.00 0.00 C ATOM 60 O ASN X 5 67.159 12.141 4.217 1.00 0.00 O ATOM 61 CB ASN X 5 64.764 13.156 5.927 1.00 0.00 C ATOM 62 CG ASN X 5 63.269 13.341 5.866 1.00 0.00 C ATOM 63 OD1 ASN X 5 62.558 13.098 6.846 1.00 0.00 O ATOM 64 ND2 ASN X 5 62.769 13.752 4.725 1.00 0.00 N ATOM 0 H ASN X 5 65.129 10.785 7.358 1.00 0.00 H new ATOM 0 HA ASN X 5 64.675 11.568 4.546 1.00 0.00 H new ATOM 0 HB2 ASN X 5 65.110 13.336 6.945 1.00 0.00 H new ATOM 0 HB3 ASN X 5 65.247 13.898 5.290 1.00 0.00 H new ATOM 0 HD21 ASN X 5 61.762 13.881 4.626 1.00 0.00 H new ATOM 0 HD22 ASN X 5 63.387 13.943 3.937 1.00 0.00 H new ATOM 71 N SER X 6 67.370 11.108 6.171 1.00 0.00 N ATOM 72 CA SER X 6 68.778 10.937 6.038 1.00 0.00 C ATOM 73 C SER X 6 69.188 9.606 6.632 1.00 0.00 C ATOM 74 O SER X 6 68.406 8.985 7.377 1.00 0.00 O ATOM 75 CB SER X 6 69.527 12.096 6.705 1.00 0.00 C ATOM 76 OG SER X 6 69.157 12.237 8.076 1.00 0.00 O ATOM 0 H SER X 6 66.980 10.741 7.039 1.00 0.00 H new ATOM 0 HA SER X 6 69.041 10.940 4.980 1.00 0.00 H new ATOM 0 HB2 SER X 6 70.601 11.926 6.632 1.00 0.00 H new ATOM 0 HB3 SER X 6 69.314 13.023 6.172 1.00 0.00 H new ATOM 0 HG SER X 6 69.653 12.983 8.474 1.00 0.00 H new ATOM 82 N ILE X 7 70.409 9.192 6.340 1.00 0.00 N ATOM 83 CA ILE X 7 70.987 7.933 6.807 1.00 0.00 C ATOM 84 C ILE X 7 71.091 7.921 8.348 1.00 0.00 C ATOM 85 O ILE X 7 71.126 6.877 8.981 1.00 0.00 O ATOM 86 CB ILE X 7 72.415 7.747 6.190 1.00 0.00 C ATOM 87 CG1 ILE X 7 72.961 6.334 6.424 1.00 0.00 C ATOM 88 CG2 ILE X 7 73.408 8.800 6.708 1.00 0.00 C ATOM 89 CD1 ILE X 7 72.229 5.260 5.668 1.00 0.00 C ATOM 0 H ILE X 7 71.047 9.733 5.756 1.00 0.00 H new ATOM 0 HA ILE X 7 70.338 7.116 6.491 1.00 0.00 H new ATOM 0 HB ILE X 7 72.305 7.891 5.115 1.00 0.00 H new ATOM 0 HG12 ILE X 7 74.013 6.311 6.140 1.00 0.00 H new ATOM 0 HG13 ILE X 7 72.914 6.110 7.490 1.00 0.00 H new ATOM 0 HG21 ILE X 7 74.385 8.633 6.254 1.00 0.00 H new ATOM 0 HG22 ILE X 7 73.052 9.796 6.446 1.00 0.00 H new ATOM 0 HG23 ILE X 7 73.493 8.718 7.792 1.00 0.00 H new ATOM 0 HD11 ILE X 7 72.677 4.291 5.888 1.00 0.00 H new ATOM 0 HD12 ILE X 7 71.181 5.253 5.969 1.00 0.00 H new ATOM 0 HD13 ILE X 7 72.298 5.457 4.598 1.00 0.00 H new ATOM 101 N SER X 8 71.030 9.096 8.919 1.00 0.00 N ATOM 102 CA SER X 8 71.254 9.310 10.314 1.00 0.00 C ATOM 103 C SER X 8 70.043 8.908 11.180 1.00 0.00 C ATOM 104 O SER X 8 70.102 8.965 12.414 1.00 0.00 O ATOM 105 CB SER X 8 71.626 10.768 10.490 1.00 0.00 C ATOM 106 OG SER X 8 72.694 11.099 9.602 1.00 0.00 O ATOM 0 H SER X 8 70.816 9.951 8.406 1.00 0.00 H new ATOM 0 HA SER X 8 72.064 8.668 10.661 1.00 0.00 H new ATOM 0 HB2 SER X 8 70.762 11.401 10.288 1.00 0.00 H new ATOM 0 HB3 SER X 8 71.925 10.956 11.521 1.00 0.00 H new ATOM 0 HG SER X 8 72.933 12.043 9.715 1.00 0.00 H new ATOM 112 N ASP X 9 68.948 8.514 10.540 1.00 0.00 N ATOM 113 CA ASP X 9 67.779 8.016 11.279 1.00 0.00 C ATOM 114 C ASP X 9 67.629 6.538 10.972 1.00 0.00 C ATOM 115 O ASP X 9 66.795 5.837 11.529 1.00 0.00 O ATOM 116 CB ASP X 9 66.502 8.732 10.844 1.00 0.00 C ATOM 117 CG ASP X 9 65.343 8.586 11.831 1.00 0.00 C ATOM 118 OD1 ASP X 9 64.581 7.611 11.774 1.00 0.00 O ATOM 119 OD2 ASP X 9 65.172 9.491 12.686 1.00 0.00 O ATOM 0 H ASP X 9 68.839 8.526 9.526 1.00 0.00 H new ATOM 0 HA ASP X 9 67.929 8.195 12.344 1.00 0.00 H new ATOM 0 HB2 ASP X 9 66.719 9.791 10.708 1.00 0.00 H new ATOM 0 HB3 ASP X 9 66.192 8.343 9.874 1.00 0.00 H new ATOM 124 N TYR X 10 68.473 6.063 10.101 1.00 0.00 N ATOM 125 CA TYR X 10 68.405 4.703 9.675 1.00 0.00 C ATOM 126 C TYR X 10 69.329 3.891 10.518 1.00 0.00 C ATOM 127 O TYR X 10 70.535 4.142 10.536 1.00 0.00 O ATOM 128 CB TYR X 10 68.797 4.516 8.180 1.00 0.00 C ATOM 129 CG TYR X 10 67.719 4.844 7.155 1.00 0.00 C ATOM 130 CD1 TYR X 10 66.698 3.937 6.894 1.00 0.00 C ATOM 131 CD2 TYR X 10 67.723 6.037 6.445 1.00 0.00 C ATOM 132 CE1 TYR X 10 65.712 4.211 5.967 1.00 0.00 C ATOM 133 CE2 TYR X 10 66.731 6.323 5.516 1.00 0.00 C ATOM 134 CZ TYR X 10 65.732 5.402 5.287 1.00 0.00 C ATOM 135 OH TYR X 10 64.732 5.689 4.400 1.00 0.00 O ATOM 0 H TYR X 10 69.221 6.607 9.671 1.00 0.00 H new ATOM 0 HA TYR X 10 67.370 4.378 9.784 1.00 0.00 H new ATOM 0 HB2 TYR X 10 69.667 5.140 7.974 1.00 0.00 H new ATOM 0 HB3 TYR X 10 69.105 3.481 8.034 1.00 0.00 H new ATOM 0 HD1 TYR X 10 66.676 2.998 7.428 1.00 0.00 H new ATOM 0 HD2 TYR X 10 68.511 6.755 6.618 1.00 0.00 H new ATOM 0 HE1 TYR X 10 64.929 3.491 5.778 1.00 0.00 H new ATOM 0 HE2 TYR X 10 66.743 7.259 4.978 1.00 0.00 H new ATOM 0 HH TYR X 10 64.908 6.556 3.978 1.00 0.00 H new ATOM 145 N THR X 11 68.790 2.970 11.277 1.00 0.00 N ATOM 146 CA THR X 11 69.629 2.028 11.945 1.00 0.00 C ATOM 147 C THR X 11 70.066 1.052 10.870 1.00 0.00 C ATOM 148 O THR X 11 69.564 1.125 9.723 1.00 0.00 O ATOM 149 CB THR X 11 68.877 1.236 13.074 1.00 0.00 C ATOM 150 OG1 THR X 11 67.831 0.433 12.516 1.00 0.00 O ATOM 151 CG2 THR X 11 68.274 2.168 14.107 1.00 0.00 C ATOM 0 H THR X 11 67.790 2.859 11.442 1.00 0.00 H new ATOM 0 HA THR X 11 70.455 2.546 12.432 1.00 0.00 H new ATOM 0 HB THR X 11 69.617 0.600 13.561 1.00 0.00 H new ATOM 0 HG1 THR X 11 67.375 -0.054 13.233 1.00 0.00 H new ATOM 0 HG21 THR X 11 67.763 1.582 14.871 1.00 0.00 H new ATOM 0 HG22 THR X 11 69.065 2.758 14.571 1.00 0.00 H new ATOM 0 HG23 THR X 11 67.561 2.835 13.623 1.00 0.00 H new ATOM 159 N GLU X 12 70.949 0.160 11.195 1.00 0.00 N ATOM 160 CA GLU X 12 71.332 -0.865 10.257 1.00 0.00 C ATOM 161 C GLU X 12 70.096 -1.646 9.787 1.00 0.00 C ATOM 162 O GLU X 12 69.893 -1.822 8.600 1.00 0.00 O ATOM 163 CB GLU X 12 72.415 -1.763 10.858 1.00 0.00 C ATOM 164 CG GLU X 12 72.252 -2.013 12.352 1.00 0.00 C ATOM 165 CD GLU X 12 73.348 -2.868 12.919 1.00 0.00 C ATOM 166 OE1 GLU X 12 74.534 -2.444 12.881 1.00 0.00 O ATOM 167 OE2 GLU X 12 73.045 -3.949 13.463 1.00 0.00 O ATOM 0 H GLU X 12 71.421 0.115 12.098 1.00 0.00 H new ATOM 0 HA GLU X 12 71.768 -0.403 9.371 1.00 0.00 H new ATOM 0 HB2 GLU X 12 72.410 -2.720 10.337 1.00 0.00 H new ATOM 0 HB3 GLU X 12 73.390 -1.309 10.680 1.00 0.00 H new ATOM 0 HG2 GLU X 12 72.234 -1.058 12.876 1.00 0.00 H new ATOM 0 HG3 GLU X 12 71.291 -2.494 12.533 1.00 0.00 H new ATOM 174 N ALA X 13 69.231 -2.001 10.721 1.00 0.00 N ATOM 175 CA ALA X 13 68.002 -2.707 10.395 1.00 0.00 C ATOM 176 C ALA X 13 66.988 -1.804 9.660 1.00 0.00 C ATOM 177 O ALA X 13 66.317 -2.268 8.756 1.00 0.00 O ATOM 178 CB ALA X 13 67.388 -3.339 11.626 1.00 0.00 C ATOM 0 H ALA X 13 69.357 -1.811 11.715 1.00 0.00 H new ATOM 0 HA ALA X 13 68.269 -3.508 9.706 1.00 0.00 H new ATOM 0 HB1 ALA X 13 66.471 -3.859 11.349 1.00 0.00 H new ATOM 0 HB2 ALA X 13 68.092 -4.050 12.059 1.00 0.00 H new ATOM 0 HB3 ALA X 13 67.159 -2.564 12.357 1.00 0.00 H new ATOM 184 N GLU X 14 66.876 -0.513 10.051 1.00 0.00 N ATOM 185 CA GLU X 14 65.972 0.427 9.337 1.00 0.00 C ATOM 186 C GLU X 14 66.375 0.514 7.891 1.00 0.00 C ATOM 187 O GLU X 14 65.527 0.616 6.995 1.00 0.00 O ATOM 188 CB GLU X 14 65.983 1.853 9.931 1.00 0.00 C ATOM 189 CG GLU X 14 65.398 1.976 11.326 1.00 0.00 C ATOM 190 CD GLU X 14 64.024 1.376 11.433 1.00 0.00 C ATOM 191 OE1 GLU X 14 63.040 2.002 10.983 1.00 0.00 O ATOM 192 OE2 GLU X 14 63.910 0.256 11.955 1.00 0.00 O ATOM 0 H GLU X 14 67.384 -0.104 10.835 1.00 0.00 H new ATOM 0 HA GLU X 14 64.963 0.029 9.448 1.00 0.00 H new ATOM 0 HB2 GLU X 14 67.012 2.212 9.953 1.00 0.00 H new ATOM 0 HB3 GLU X 14 65.429 2.512 9.263 1.00 0.00 H new ATOM 0 HG2 GLU X 14 66.061 1.485 12.038 1.00 0.00 H new ATOM 0 HG3 GLU X 14 65.353 3.029 11.605 1.00 0.00 H new ATOM 199 N PHE X 15 67.674 0.462 7.669 1.00 0.00 N ATOM 200 CA PHE X 15 68.208 0.506 6.353 1.00 0.00 C ATOM 201 C PHE X 15 67.815 -0.760 5.628 1.00 0.00 C ATOM 202 O PHE X 15 67.252 -0.688 4.555 1.00 0.00 O ATOM 203 CB PHE X 15 69.729 0.642 6.383 1.00 0.00 C ATOM 204 CG PHE X 15 70.321 1.168 5.107 1.00 0.00 C ATOM 205 CD1 PHE X 15 70.040 2.455 4.682 1.00 0.00 C ATOM 206 CD2 PHE X 15 71.172 0.398 4.353 1.00 0.00 C ATOM 207 CE1 PHE X 15 70.604 2.954 3.526 1.00 0.00 C ATOM 208 CE2 PHE X 15 71.736 0.889 3.196 1.00 0.00 C ATOM 209 CZ PHE X 15 71.450 2.170 2.784 1.00 0.00 C ATOM 0 H PHE X 15 68.375 0.388 8.406 1.00 0.00 H new ATOM 0 HA PHE X 15 67.807 1.376 5.833 1.00 0.00 H new ATOM 0 HB2 PHE X 15 70.008 1.306 7.201 1.00 0.00 H new ATOM 0 HB3 PHE X 15 70.166 -0.333 6.600 1.00 0.00 H new ATOM 0 HD1 PHE X 15 69.372 3.075 5.261 1.00 0.00 H new ATOM 0 HD2 PHE X 15 71.403 -0.608 4.672 1.00 0.00 H new ATOM 0 HE1 PHE X 15 70.380 3.961 3.206 1.00 0.00 H new ATOM 0 HE2 PHE X 15 72.402 0.269 2.613 1.00 0.00 H new ATOM 0 HZ PHE X 15 71.891 2.558 1.878 1.00 0.00 H new ATOM 219 N VAL X 16 68.051 -1.926 6.260 1.00 0.00 N ATOM 220 CA VAL X 16 67.749 -3.216 5.627 1.00 0.00 C ATOM 221 C VAL X 16 66.259 -3.350 5.323 1.00 0.00 C ATOM 222 O VAL X 16 65.894 -3.925 4.325 1.00 0.00 O ATOM 223 CB VAL X 16 68.261 -4.478 6.417 1.00 0.00 C ATOM 224 CG1 VAL X 16 69.641 -4.313 6.952 1.00 0.00 C ATOM 225 CG2 VAL X 16 67.304 -4.978 7.460 1.00 0.00 C ATOM 0 H VAL X 16 68.446 -1.997 7.198 1.00 0.00 H new ATOM 0 HA VAL X 16 68.314 -3.202 4.695 1.00 0.00 H new ATOM 0 HB VAL X 16 68.310 -5.266 5.666 1.00 0.00 H new ATOM 0 HG11 VAL X 16 69.935 -5.217 7.486 1.00 0.00 H new ATOM 0 HG12 VAL X 16 70.332 -4.137 6.128 1.00 0.00 H new ATOM 0 HG13 VAL X 16 69.667 -3.464 7.635 1.00 0.00 H new ATOM 0 HG21 VAL X 16 67.731 -5.848 7.958 1.00 0.00 H new ATOM 0 HG22 VAL X 16 67.122 -4.193 8.194 1.00 0.00 H new ATOM 0 HG23 VAL X 16 66.363 -5.257 6.986 1.00 0.00 H new ATOM 235 N GLN X 17 65.424 -2.788 6.188 1.00 0.00 N ATOM 236 CA GLN X 17 63.995 -2.756 6.028 1.00 0.00 C ATOM 237 C GLN X 17 63.668 -2.046 4.731 1.00 0.00 C ATOM 238 O GLN X 17 62.929 -2.568 3.888 1.00 0.00 O ATOM 239 CB GLN X 17 63.435 -2.004 7.258 1.00 0.00 C ATOM 240 CG GLN X 17 61.928 -1.864 7.397 1.00 0.00 C ATOM 241 CD GLN X 17 61.288 -0.832 6.467 1.00 0.00 C ATOM 242 OE1 GLN X 17 61.191 0.353 6.801 1.00 0.00 O ATOM 243 NE2 GLN X 17 60.821 -1.266 5.334 1.00 0.00 N ATOM 0 H GLN X 17 65.743 -2.331 7.042 1.00 0.00 H new ATOM 0 HA GLN X 17 63.552 -3.750 5.975 1.00 0.00 H new ATOM 0 HB2 GLN X 17 63.805 -2.507 8.151 1.00 0.00 H new ATOM 0 HB3 GLN X 17 63.863 -1.001 7.257 1.00 0.00 H new ATOM 0 HG2 GLN X 17 61.469 -2.835 7.209 1.00 0.00 H new ATOM 0 HG3 GLN X 17 61.696 -1.596 8.428 1.00 0.00 H new ATOM 0 HE21 GLN X 17 60.917 -2.251 5.087 1.00 0.00 H new ATOM 0 HE22 GLN X 17 60.359 -0.622 4.692 1.00 0.00 H new ATOM 252 N LEU X 18 64.263 -0.894 4.558 1.00 0.00 N ATOM 253 CA LEU X 18 64.041 -0.076 3.400 1.00 0.00 C ATOM 254 C LEU X 18 64.577 -0.791 2.176 1.00 0.00 C ATOM 255 O LEU X 18 63.945 -0.825 1.130 1.00 0.00 O ATOM 256 CB LEU X 18 64.717 1.284 3.618 1.00 0.00 C ATOM 257 CG LEU X 18 64.349 2.432 2.663 1.00 0.00 C ATOM 258 CD1 LEU X 18 64.994 2.297 1.308 1.00 0.00 C ATOM 259 CD2 LEU X 18 62.850 2.538 2.524 1.00 0.00 C ATOM 0 H LEU X 18 64.922 -0.495 5.227 1.00 0.00 H new ATOM 0 HA LEU X 18 62.977 0.098 3.241 1.00 0.00 H new ATOM 0 HB2 LEU X 18 64.493 1.610 4.634 1.00 0.00 H new ATOM 0 HB3 LEU X 18 65.795 1.134 3.561 1.00 0.00 H new ATOM 0 HG LEU X 18 64.739 3.348 3.106 1.00 0.00 H new ATOM 0 HD11 LEU X 18 64.697 3.136 0.678 1.00 0.00 H new ATOM 0 HD12 LEU X 18 66.078 2.293 1.420 1.00 0.00 H new ATOM 0 HD13 LEU X 18 64.674 1.364 0.844 1.00 0.00 H new ATOM 0 HD21 LEU X 18 62.604 3.355 1.845 1.00 0.00 H new ATOM 0 HD22 LEU X 18 62.455 1.604 2.126 1.00 0.00 H new ATOM 0 HD23 LEU X 18 62.407 2.732 3.501 1.00 0.00 H new ATOM 271 N LEU X 19 65.714 -1.392 2.346 1.00 0.00 N ATOM 272 CA LEU X 19 66.354 -2.167 1.324 1.00 0.00 C ATOM 273 C LEU X 19 65.460 -3.306 0.855 1.00 0.00 C ATOM 274 O LEU X 19 65.411 -3.618 -0.331 1.00 0.00 O ATOM 275 CB LEU X 19 67.617 -2.729 1.885 1.00 0.00 C ATOM 276 CG LEU X 19 68.668 -1.716 2.262 1.00 0.00 C ATOM 277 CD1 LEU X 19 69.928 -2.388 2.607 1.00 0.00 C ATOM 278 CD2 LEU X 19 68.873 -0.691 1.192 1.00 0.00 C ATOM 0 H LEU X 19 66.237 -1.357 3.221 1.00 0.00 H new ATOM 0 HA LEU X 19 66.560 -1.526 0.467 1.00 0.00 H new ATOM 0 HB2 LEU X 19 67.371 -3.317 2.769 1.00 0.00 H new ATOM 0 HB3 LEU X 19 68.045 -3.415 1.154 1.00 0.00 H new ATOM 0 HG LEU X 19 68.310 -1.181 3.142 1.00 0.00 H new ATOM 0 HD11 LEU X 19 70.676 -1.642 2.877 1.00 0.00 H new ATOM 0 HD12 LEU X 19 69.764 -3.059 3.450 1.00 0.00 H new ATOM 0 HD13 LEU X 19 70.281 -2.962 1.750 1.00 0.00 H new ATOM 0 HD21 LEU X 19 69.639 0.017 1.508 1.00 0.00 H new ATOM 0 HD22 LEU X 19 69.191 -1.183 0.273 1.00 0.00 H new ATOM 0 HD23 LEU X 19 67.938 -0.159 1.014 1.00 0.00 H new ATOM 290 N LYS X 20 64.736 -3.902 1.797 1.00 0.00 N ATOM 291 CA LYS X 20 63.827 -4.985 1.501 1.00 0.00 C ATOM 292 C LYS X 20 62.674 -4.522 0.659 1.00 0.00 C ATOM 293 O LYS X 20 62.244 -5.237 -0.238 1.00 0.00 O ATOM 294 CB LYS X 20 63.344 -5.717 2.769 1.00 0.00 C ATOM 295 CG LYS X 20 64.472 -6.413 3.484 1.00 0.00 C ATOM 296 CD LYS X 20 64.012 -7.543 4.389 1.00 0.00 C ATOM 297 CE LYS X 20 65.225 -8.330 4.858 1.00 0.00 C ATOM 298 NZ LYS X 20 64.888 -9.529 5.655 1.00 0.00 N ATOM 0 H LYS X 20 64.768 -3.643 2.783 1.00 0.00 H new ATOM 0 HA LYS X 20 64.392 -5.713 0.919 1.00 0.00 H new ATOM 0 HB2 LYS X 20 62.874 -5.001 3.444 1.00 0.00 H new ATOM 0 HB3 LYS X 20 62.582 -6.447 2.498 1.00 0.00 H new ATOM 0 HG2 LYS X 20 65.169 -6.810 2.746 1.00 0.00 H new ATOM 0 HG3 LYS X 20 65.020 -5.682 4.079 1.00 0.00 H new ATOM 0 HD2 LYS X 20 63.470 -7.142 5.245 1.00 0.00 H new ATOM 0 HD3 LYS X 20 63.324 -8.197 3.854 1.00 0.00 H new ATOM 0 HE2 LYS X 20 65.807 -8.635 3.988 1.00 0.00 H new ATOM 0 HE3 LYS X 20 65.862 -7.676 5.454 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 65.761 -10.033 5.911 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 64.388 -9.241 6.521 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 64.277 -10.158 5.095 1.00 0.00 H new ATOM 312 N GLU X 21 62.197 -3.317 0.904 1.00 0.00 N ATOM 313 CA GLU X 21 61.127 -2.811 0.097 1.00 0.00 C ATOM 314 C GLU X 21 61.614 -2.382 -1.276 1.00 0.00 C ATOM 315 O GLU X 21 60.917 -2.567 -2.269 1.00 0.00 O ATOM 316 CB GLU X 21 60.233 -1.775 0.805 1.00 0.00 C ATOM 317 CG GLU X 21 60.903 -0.540 1.352 1.00 0.00 C ATOM 318 CD GLU X 21 59.918 0.345 2.081 1.00 0.00 C ATOM 319 OE1 GLU X 21 59.216 1.141 1.432 1.00 0.00 O ATOM 320 OE2 GLU X 21 59.802 0.248 3.326 1.00 0.00 O ATOM 0 H GLU X 21 62.529 -2.691 1.638 1.00 0.00 H new ATOM 0 HA GLU X 21 60.449 -3.648 -0.068 1.00 0.00 H new ATOM 0 HB2 GLU X 21 59.463 -1.457 0.102 1.00 0.00 H new ATOM 0 HB3 GLU X 21 59.725 -2.276 1.629 1.00 0.00 H new ATOM 0 HG2 GLU X 21 61.705 -0.830 2.030 1.00 0.00 H new ATOM 0 HG3 GLU X 21 61.362 0.019 0.536 1.00 0.00 H new ATOM 327 N ILE X 22 62.848 -1.880 -1.347 1.00 0.00 N ATOM 328 CA ILE X 22 63.430 -1.546 -2.644 1.00 0.00 C ATOM 329 C ILE X 22 63.527 -2.808 -3.463 1.00 0.00 C ATOM 330 O ILE X 22 63.086 -2.851 -4.582 1.00 0.00 O ATOM 331 CB ILE X 22 64.866 -0.983 -2.549 1.00 0.00 C ATOM 332 CG1 ILE X 22 64.940 0.191 -1.611 1.00 0.00 C ATOM 333 CG2 ILE X 22 65.335 -0.559 -3.929 1.00 0.00 C ATOM 334 CD1 ILE X 22 66.335 0.769 -1.477 1.00 0.00 C ATOM 0 H ILE X 22 63.449 -1.700 -0.543 1.00 0.00 H new ATOM 0 HA ILE X 22 62.785 -0.786 -3.084 1.00 0.00 H new ATOM 0 HB ILE X 22 65.511 -1.769 -2.157 1.00 0.00 H new ATOM 0 HG12 ILE X 22 64.264 0.971 -1.963 1.00 0.00 H new ATOM 0 HG13 ILE X 22 64.587 -0.117 -0.627 1.00 0.00 H new ATOM 0 HG21 ILE X 22 66.348 -0.162 -3.863 1.00 0.00 H new ATOM 0 HG22 ILE X 22 65.326 -1.420 -4.597 1.00 0.00 H new ATOM 0 HG23 ILE X 22 64.668 0.210 -4.319 1.00 0.00 H new ATOM 0 HD11 ILE X 22 66.315 1.612 -0.786 1.00 0.00 H new ATOM 0 HD12 ILE X 22 67.011 0.003 -1.096 1.00 0.00 H new ATOM 0 HD13 ILE X 22 66.684 1.108 -2.453 1.00 0.00 H new ATOM 346 N GLU X 23 64.044 -3.844 -2.841 1.00 0.00 N ATOM 347 CA GLU X 23 64.232 -5.134 -3.464 1.00 0.00 C ATOM 348 C GLU X 23 62.923 -5.785 -3.859 1.00 0.00 C ATOM 349 O GLU X 23 62.839 -6.460 -4.897 1.00 0.00 O ATOM 350 CB GLU X 23 65.047 -6.034 -2.550 1.00 0.00 C ATOM 351 CG GLU X 23 66.504 -6.139 -2.958 1.00 0.00 C ATOM 352 CD GLU X 23 66.662 -6.983 -4.198 1.00 0.00 C ATOM 353 OE1 GLU X 23 66.421 -6.484 -5.318 1.00 0.00 O ATOM 354 OE2 GLU X 23 66.991 -8.185 -4.049 1.00 0.00 O ATOM 0 H GLU X 23 64.351 -3.812 -1.869 1.00 0.00 H new ATOM 0 HA GLU X 23 64.783 -4.979 -4.392 1.00 0.00 H new ATOM 0 HB2 GLU X 23 64.989 -5.654 -1.530 1.00 0.00 H new ATOM 0 HB3 GLU X 23 64.605 -7.031 -2.544 1.00 0.00 H new ATOM 0 HG2 GLU X 23 66.907 -5.142 -3.139 1.00 0.00 H new ATOM 0 HG3 GLU X 23 67.083 -6.573 -2.143 1.00 0.00 H new ATOM 361 N LYS X 24 61.905 -5.577 -3.067 1.00 0.00 N ATOM 362 CA LYS X 24 60.619 -6.164 -3.336 1.00 0.00 C ATOM 363 C LYS X 24 60.002 -5.500 -4.552 1.00 0.00 C ATOM 364 O LYS X 24 59.620 -6.169 -5.522 1.00 0.00 O ATOM 365 CB LYS X 24 59.699 -5.994 -2.145 1.00 0.00 C ATOM 366 CG LYS X 24 58.490 -6.923 -2.170 1.00 0.00 C ATOM 367 CD LYS X 24 58.909 -8.391 -2.079 1.00 0.00 C ATOM 368 CE LYS X 24 59.653 -8.687 -0.776 1.00 0.00 C ATOM 369 NZ LYS X 24 60.141 -10.071 -0.720 1.00 0.00 N ATOM 0 H LYS X 24 61.942 -5.002 -2.225 1.00 0.00 H new ATOM 0 HA LYS X 24 60.753 -7.229 -3.527 1.00 0.00 H new ATOM 0 HB2 LYS X 24 60.265 -6.173 -1.231 1.00 0.00 H new ATOM 0 HB3 LYS X 24 59.352 -4.961 -2.109 1.00 0.00 H new ATOM 0 HG2 LYS X 24 57.827 -6.681 -1.340 1.00 0.00 H new ATOM 0 HG3 LYS X 24 57.924 -6.761 -3.088 1.00 0.00 H new ATOM 0 HD2 LYS X 24 58.026 -9.026 -2.146 1.00 0.00 H new ATOM 0 HD3 LYS X 24 59.547 -8.641 -2.927 1.00 0.00 H new ATOM 0 HE2 LYS X 24 60.495 -8.002 -0.676 1.00 0.00 H new ATOM 0 HE3 LYS X 24 58.990 -8.502 0.069 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 60.639 -10.227 0.180 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 59.336 -10.726 -0.789 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 60.794 -10.241 -1.511 1.00 0.00 H new ATOM 383 N GLU X 25 59.947 -4.189 -4.521 1.00 0.00 N ATOM 384 CA GLU X 25 59.406 -3.432 -5.603 1.00 0.00 C ATOM 385 C GLU X 25 60.326 -3.483 -6.845 1.00 0.00 C ATOM 386 O GLU X 25 59.887 -3.200 -7.967 1.00 0.00 O ATOM 387 CB GLU X 25 59.082 -1.992 -5.161 1.00 0.00 C ATOM 388 CG GLU X 25 57.813 -1.837 -4.268 1.00 0.00 C ATOM 389 CD GLU X 25 57.734 -2.711 -3.014 1.00 0.00 C ATOM 390 OE1 GLU X 25 57.263 -3.866 -3.107 1.00 0.00 O ATOM 391 OE2 GLU X 25 58.084 -2.244 -1.922 1.00 0.00 O ATOM 0 H GLU X 25 60.279 -3.625 -3.739 1.00 0.00 H new ATOM 0 HA GLU X 25 58.463 -3.890 -5.902 1.00 0.00 H new ATOM 0 HB2 GLU X 25 59.939 -1.595 -4.617 1.00 0.00 H new ATOM 0 HB3 GLU X 25 58.957 -1.376 -6.051 1.00 0.00 H new ATOM 0 HG2 GLU X 25 57.742 -0.794 -3.959 1.00 0.00 H new ATOM 0 HG3 GLU X 25 56.938 -2.048 -4.883 1.00 0.00 H new ATOM 398 N ASN X 26 61.582 -3.861 -6.629 1.00 0.00 N ATOM 399 CA ASN X 26 62.582 -4.046 -7.698 1.00 0.00 C ATOM 400 C ASN X 26 62.264 -5.290 -8.505 1.00 0.00 C ATOM 401 O ASN X 26 62.160 -5.240 -9.729 1.00 0.00 O ATOM 402 CB ASN X 26 63.997 -4.174 -7.097 1.00 0.00 C ATOM 403 CG ASN X 26 65.100 -4.411 -8.118 1.00 0.00 C ATOM 404 OD1 ASN X 26 65.029 -3.957 -9.272 1.00 0.00 O ATOM 405 ND2 ASN X 26 66.118 -5.132 -7.717 1.00 0.00 N ATOM 0 H ASN X 26 61.948 -4.052 -5.696 1.00 0.00 H new ATOM 0 HA ASN X 26 62.549 -3.174 -8.351 1.00 0.00 H new ATOM 0 HB2 ASN X 26 64.225 -3.265 -6.540 1.00 0.00 H new ATOM 0 HB3 ASN X 26 64.000 -4.996 -6.381 1.00 0.00 H new ATOM 0 HD21 ASN X 26 66.883 -5.336 -8.360 1.00 0.00 H new ATOM 0 HD22 ASN X 26 66.145 -5.490 -6.762 1.00 0.00 H new ATOM 412 N VAL X 27 62.082 -6.407 -7.825 1.00 0.00 N ATOM 413 CA VAL X 27 61.781 -7.652 -8.521 1.00 0.00 C ATOM 414 C VAL X 27 60.356 -7.674 -9.051 1.00 0.00 C ATOM 415 O VAL X 27 60.059 -8.378 -9.996 1.00 0.00 O ATOM 416 CB VAL X 27 62.072 -8.917 -7.686 1.00 0.00 C ATOM 417 CG1 VAL X 27 63.549 -9.011 -7.375 1.00 0.00 C ATOM 418 CG2 VAL X 27 61.256 -8.935 -6.408 1.00 0.00 C ATOM 0 H VAL X 27 62.135 -6.482 -6.809 1.00 0.00 H new ATOM 0 HA VAL X 27 62.467 -7.677 -9.368 1.00 0.00 H new ATOM 0 HB VAL X 27 61.781 -9.785 -8.277 1.00 0.00 H new ATOM 0 HG11 VAL X 27 63.740 -9.908 -6.786 1.00 0.00 H new ATOM 0 HG12 VAL X 27 64.114 -9.061 -8.306 1.00 0.00 H new ATOM 0 HG13 VAL X 27 63.858 -8.132 -6.809 1.00 0.00 H new ATOM 0 HG21 VAL X 27 61.484 -9.839 -5.843 1.00 0.00 H new ATOM 0 HG22 VAL X 27 61.502 -8.060 -5.807 1.00 0.00 H new ATOM 0 HG23 VAL X 27 60.194 -8.920 -6.654 1.00 0.00 H new ATOM 428 N ALA X 28 59.483 -6.883 -8.447 1.00 0.00 N ATOM 429 CA ALA X 28 58.110 -6.751 -8.929 1.00 0.00 C ATOM 430 C ALA X 28 58.064 -5.744 -10.077 1.00 0.00 C ATOM 431 O ALA X 28 57.018 -5.517 -10.686 1.00 0.00 O ATOM 432 CB ALA X 28 57.204 -6.299 -7.803 1.00 0.00 C ATOM 0 H ALA X 28 59.697 -6.322 -7.623 1.00 0.00 H new ATOM 0 HA ALA X 28 57.762 -7.719 -9.289 1.00 0.00 H new ATOM 0 HB1 ALA X 28 56.183 -6.204 -8.173 1.00 0.00 H new ATOM 0 HB2 ALA X 28 57.231 -7.033 -6.997 1.00 0.00 H new ATOM 0 HB3 ALA X 28 57.545 -5.334 -7.427 1.00 0.00 H new ATOM 438 N ALA X 29 59.228 -5.146 -10.333 1.00 0.00 N ATOM 439 CA ALA X 29 59.458 -4.147 -11.357 1.00 0.00 C ATOM 440 C ALA X 29 58.445 -3.035 -11.329 1.00 0.00 C ATOM 441 O ALA X 29 57.662 -2.844 -12.260 1.00 0.00 O ATOM 442 CB ALA X 29 59.612 -4.740 -12.737 1.00 0.00 C ATOM 0 H ALA X 29 60.072 -5.361 -9.802 1.00 0.00 H new ATOM 0 HA ALA X 29 60.419 -3.696 -11.109 1.00 0.00 H new ATOM 0 HB1 ALA X 29 59.782 -3.941 -13.459 1.00 0.00 H new ATOM 0 HB2 ALA X 29 60.460 -5.424 -12.746 1.00 0.00 H new ATOM 0 HB3 ALA X 29 58.705 -5.283 -13.003 1.00 0.00 H new ATOM 448 N THR X 30 58.431 -2.336 -10.247 1.00 0.00 N ATOM 449 CA THR X 30 57.578 -1.204 -10.115 1.00 0.00 C ATOM 450 C THR X 30 58.345 0.002 -10.651 1.00 0.00 C ATOM 451 O THR X 30 59.492 -0.156 -11.126 1.00 0.00 O ATOM 452 CB THR X 30 57.165 -1.006 -8.647 1.00 0.00 C ATOM 453 OG1 THR X 30 58.323 -0.896 -7.854 1.00 0.00 O ATOM 454 CG2 THR X 30 56.348 -2.183 -8.155 1.00 0.00 C ATOM 0 H THR X 30 59.009 -2.532 -9.430 1.00 0.00 H new ATOM 0 HA THR X 30 56.656 -1.341 -10.680 1.00 0.00 H new ATOM 0 HB THR X 30 56.562 -0.101 -8.574 1.00 0.00 H new ATOM 0 HG1 THR X 30 58.777 -1.764 -7.816 1.00 0.00 H new ATOM 0 HG21 THR X 30 56.067 -2.021 -7.114 1.00 0.00 H new ATOM 0 HG22 THR X 30 55.449 -2.281 -8.763 1.00 0.00 H new ATOM 0 HG23 THR X 30 56.940 -3.095 -8.233 1.00 0.00 H new ATOM 462 N ASP X 31 57.786 1.166 -10.597 1.00 0.00 N ATOM 463 CA ASP X 31 58.479 2.297 -11.159 1.00 0.00 C ATOM 464 C ASP X 31 58.448 3.488 -10.268 1.00 0.00 C ATOM 465 O ASP X 31 59.482 3.907 -9.782 1.00 0.00 O ATOM 466 CB ASP X 31 57.931 2.645 -12.528 1.00 0.00 C ATOM 467 CG ASP X 31 58.586 3.870 -13.139 1.00 0.00 C ATOM 468 OD1 ASP X 31 59.690 3.753 -13.694 1.00 0.00 O ATOM 469 OD2 ASP X 31 57.996 4.966 -13.099 1.00 0.00 O ATOM 0 H ASP X 31 56.875 1.365 -10.183 1.00 0.00 H new ATOM 0 HA ASP X 31 59.523 2.001 -11.262 1.00 0.00 H new ATOM 0 HB2 ASP X 31 58.071 1.795 -13.195 1.00 0.00 H new ATOM 0 HB3 ASP X 31 56.857 2.816 -12.450 1.00 0.00 H new ATOM 474 N ASP X 32 57.267 4.001 -10.023 1.00 0.00 N ATOM 475 CA ASP X 32 57.102 5.235 -9.270 1.00 0.00 C ATOM 476 C ASP X 32 57.701 5.170 -7.892 1.00 0.00 C ATOM 477 O ASP X 32 58.468 6.045 -7.528 1.00 0.00 O ATOM 478 CB ASP X 32 55.645 5.701 -9.217 1.00 0.00 C ATOM 479 CG ASP X 32 55.117 6.114 -10.570 1.00 0.00 C ATOM 480 OD1 ASP X 32 55.507 7.182 -11.074 1.00 0.00 O ATOM 481 OD2 ASP X 32 54.315 5.373 -11.172 1.00 0.00 O ATOM 0 H ASP X 32 56.391 3.582 -10.336 1.00 0.00 H new ATOM 0 HA ASP X 32 57.665 5.986 -9.824 1.00 0.00 H new ATOM 0 HB2 ASP X 32 55.025 4.898 -8.819 1.00 0.00 H new ATOM 0 HB3 ASP X 32 55.561 6.540 -8.527 1.00 0.00 H new ATOM 486 N VAL X 33 57.407 4.117 -7.147 1.00 0.00 N ATOM 487 CA VAL X 33 57.935 4.008 -5.788 1.00 0.00 C ATOM 488 C VAL X 33 59.319 3.421 -5.810 1.00 0.00 C ATOM 489 O VAL X 33 60.167 3.796 -5.022 1.00 0.00 O ATOM 490 CB VAL X 33 57.019 3.200 -4.819 1.00 0.00 C ATOM 491 CG1 VAL X 33 56.901 1.724 -5.186 1.00 0.00 C ATOM 492 CG2 VAL X 33 57.449 3.370 -3.367 1.00 0.00 C ATOM 0 H VAL X 33 56.819 3.339 -7.447 1.00 0.00 H new ATOM 0 HA VAL X 33 57.969 5.024 -5.395 1.00 0.00 H new ATOM 0 HB VAL X 33 56.022 3.625 -4.933 1.00 0.00 H new ATOM 0 HG11 VAL X 33 56.249 1.222 -4.471 1.00 0.00 H new ATOM 0 HG12 VAL X 33 56.481 1.631 -6.187 1.00 0.00 H new ATOM 0 HG13 VAL X 33 57.889 1.263 -5.163 1.00 0.00 H new ATOM 0 HG21 VAL X 33 56.787 2.792 -2.722 1.00 0.00 H new ATOM 0 HG22 VAL X 33 58.473 3.016 -3.247 1.00 0.00 H new ATOM 0 HG23 VAL X 33 57.395 4.423 -3.092 1.00 0.00 H new ATOM 502 N LEU X 34 59.550 2.548 -6.763 1.00 0.00 N ATOM 503 CA LEU X 34 60.832 1.900 -6.932 1.00 0.00 C ATOM 504 C LEU X 34 61.884 2.953 -7.165 1.00 0.00 C ATOM 505 O LEU X 34 62.913 2.947 -6.519 1.00 0.00 O ATOM 506 CB LEU X 34 60.732 0.897 -8.097 1.00 0.00 C ATOM 507 CG LEU X 34 61.917 -0.036 -8.403 1.00 0.00 C ATOM 508 CD1 LEU X 34 62.873 0.612 -9.368 1.00 0.00 C ATOM 509 CD2 LEU X 34 62.636 -0.472 -7.132 1.00 0.00 C ATOM 0 H LEU X 34 58.849 2.265 -7.448 1.00 0.00 H new ATOM 0 HA LEU X 34 61.116 1.343 -6.039 1.00 0.00 H new ATOM 0 HB2 LEU X 34 59.862 0.268 -7.911 1.00 0.00 H new ATOM 0 HB3 LEU X 34 60.525 1.468 -9.002 1.00 0.00 H new ATOM 0 HG LEU X 34 61.514 -0.934 -8.871 1.00 0.00 H new ATOM 0 HD11 LEU X 34 63.702 -0.066 -9.569 1.00 0.00 H new ATOM 0 HD12 LEU X 34 62.353 0.836 -10.300 1.00 0.00 H new ATOM 0 HD13 LEU X 34 63.257 1.536 -8.935 1.00 0.00 H new ATOM 0 HD21 LEU X 34 63.466 -1.129 -7.391 1.00 0.00 H new ATOM 0 HD22 LEU X 34 63.017 0.406 -6.610 1.00 0.00 H new ATOM 0 HD23 LEU X 34 61.940 -1.005 -6.484 1.00 0.00 H new ATOM 521 N ASP X 35 61.575 3.909 -8.013 1.00 0.00 N ATOM 522 CA ASP X 35 62.510 4.979 -8.310 1.00 0.00 C ATOM 523 C ASP X 35 62.702 5.887 -7.126 1.00 0.00 C ATOM 524 O ASP X 35 63.803 6.375 -6.903 1.00 0.00 O ATOM 525 CB ASP X 35 62.131 5.749 -9.574 1.00 0.00 C ATOM 526 CG ASP X 35 63.119 6.843 -9.942 1.00 0.00 C ATOM 527 OD1 ASP X 35 64.156 6.541 -10.578 1.00 0.00 O ATOM 528 OD2 ASP X 35 62.848 8.025 -9.667 1.00 0.00 O ATOM 0 H ASP X 35 60.686 3.970 -8.510 1.00 0.00 H new ATOM 0 HA ASP X 35 63.473 4.512 -8.517 1.00 0.00 H new ATOM 0 HB2 ASP X 35 62.052 5.049 -10.405 1.00 0.00 H new ATOM 0 HB3 ASP X 35 61.145 6.193 -9.436 1.00 0.00 H new ATOM 533 N VAL X 36 61.651 6.060 -6.331 1.00 0.00 N ATOM 534 CA VAL X 36 61.750 6.849 -5.101 1.00 0.00 C ATOM 535 C VAL X 36 62.768 6.247 -4.222 1.00 0.00 C ATOM 536 O VAL X 36 63.673 6.908 -3.736 1.00 0.00 O ATOM 537 CB VAL X 36 60.454 6.764 -4.273 1.00 0.00 C ATOM 538 CG1 VAL X 36 60.621 7.447 -2.954 1.00 0.00 C ATOM 539 CG2 VAL X 36 59.364 7.368 -4.976 1.00 0.00 C ATOM 0 H VAL X 36 60.726 5.669 -6.511 1.00 0.00 H new ATOM 0 HA VAL X 36 61.973 7.873 -5.402 1.00 0.00 H new ATOM 0 HB VAL X 36 60.238 5.709 -4.108 1.00 0.00 H new ATOM 0 HG11 VAL X 36 59.693 7.374 -2.387 1.00 0.00 H new ATOM 0 HG12 VAL X 36 61.426 6.969 -2.396 1.00 0.00 H new ATOM 0 HG13 VAL X 36 60.866 8.497 -3.116 1.00 0.00 H new ATOM 0 HG21 VAL X 36 58.458 7.297 -4.373 1.00 0.00 H new ATOM 0 HG22 VAL X 36 59.591 8.417 -5.168 1.00 0.00 H new ATOM 0 HG23 VAL X 36 59.211 6.851 -5.923 1.00 0.00 H new ATOM 549 N LEU X 37 62.623 4.977 -4.066 1.00 0.00 N ATOM 550 CA LEU X 37 63.410 4.237 -3.177 1.00 0.00 C ATOM 551 C LEU X 37 64.819 4.170 -3.646 1.00 0.00 C ATOM 552 O LEU X 37 65.736 4.294 -2.857 1.00 0.00 O ATOM 553 CB LEU X 37 62.863 2.870 -3.015 1.00 0.00 C ATOM 554 CG LEU X 37 61.406 2.738 -2.554 1.00 0.00 C ATOM 555 CD1 LEU X 37 60.986 1.278 -2.519 1.00 0.00 C ATOM 556 CD2 LEU X 37 61.205 3.382 -1.188 1.00 0.00 C ATOM 0 H LEU X 37 61.933 4.422 -4.572 1.00 0.00 H new ATOM 0 HA LEU X 37 63.392 4.741 -2.211 1.00 0.00 H new ATOM 0 HB2 LEU X 37 62.961 2.354 -3.970 1.00 0.00 H new ATOM 0 HB3 LEU X 37 63.491 2.339 -2.299 1.00 0.00 H new ATOM 0 HG LEU X 37 60.777 3.263 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU X 37 59.950 1.205 -2.190 1.00 0.00 H new ATOM 0 HD12 LEU X 37 61.081 0.848 -3.516 1.00 0.00 H new ATOM 0 HD13 LEU X 37 61.626 0.732 -1.826 1.00 0.00 H new ATOM 0 HD21 LEU X 37 60.164 3.274 -0.885 1.00 0.00 H new ATOM 0 HD22 LEU X 37 61.848 2.893 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU X 37 61.459 4.441 -1.244 1.00 0.00 H new ATOM 568 N LEU X 38 64.972 3.996 -4.931 1.00 0.00 N ATOM 569 CA LEU X 38 66.257 3.935 -5.563 1.00 0.00 C ATOM 570 C LEU X 38 67.034 5.202 -5.315 1.00 0.00 C ATOM 571 O LEU X 38 68.191 5.159 -4.873 1.00 0.00 O ATOM 572 CB LEU X 38 66.094 3.723 -7.061 1.00 0.00 C ATOM 573 CG LEU X 38 65.587 2.380 -7.571 1.00 0.00 C ATOM 574 CD1 LEU X 38 65.811 2.294 -9.058 1.00 0.00 C ATOM 575 CD2 LEU X 38 66.222 1.202 -6.860 1.00 0.00 C ATOM 0 H LEU X 38 64.190 3.891 -5.578 1.00 0.00 H new ATOM 0 HA LEU X 38 66.807 3.096 -5.136 1.00 0.00 H new ATOM 0 HB2 LEU X 38 65.414 4.491 -7.429 1.00 0.00 H new ATOM 0 HB3 LEU X 38 67.063 3.906 -7.526 1.00 0.00 H new ATOM 0 HG LEU X 38 64.520 2.324 -7.354 1.00 0.00 H new ATOM 0 HD11 LEU X 38 65.449 1.334 -9.426 1.00 0.00 H new ATOM 0 HD12 LEU X 38 65.270 3.100 -9.555 1.00 0.00 H new ATOM 0 HD13 LEU X 38 66.876 2.386 -9.271 1.00 0.00 H new ATOM 0 HD21 LEU X 38 65.822 0.273 -7.266 1.00 0.00 H new ATOM 0 HD22 LEU X 38 67.302 1.227 -7.008 1.00 0.00 H new ATOM 0 HD23 LEU X 38 66.000 1.258 -5.794 1.00 0.00 H new ATOM 587 N GLU X 39 66.393 6.315 -5.552 1.00 0.00 N ATOM 588 CA GLU X 39 67.003 7.595 -5.356 1.00 0.00 C ATOM 589 C GLU X 39 67.222 7.876 -3.901 1.00 0.00 C ATOM 590 O GLU X 39 68.263 8.393 -3.517 1.00 0.00 O ATOM 591 CB GLU X 39 66.147 8.687 -5.907 1.00 0.00 C ATOM 592 CG GLU X 39 65.975 8.677 -7.396 1.00 0.00 C ATOM 593 CD GLU X 39 67.280 8.686 -8.135 1.00 0.00 C ATOM 594 OE1 GLU X 39 67.952 9.728 -8.180 1.00 0.00 O ATOM 595 OE2 GLU X 39 67.648 7.654 -8.721 1.00 0.00 O ATOM 0 H GLU X 39 65.431 6.356 -5.887 1.00 0.00 H new ATOM 0 HA GLU X 39 67.960 7.567 -5.878 1.00 0.00 H new ATOM 0 HB2 GLU X 39 65.162 8.623 -5.444 1.00 0.00 H new ATOM 0 HB3 GLU X 39 66.576 9.645 -5.614 1.00 0.00 H new ATOM 0 HG2 GLU X 39 65.406 7.793 -7.685 1.00 0.00 H new ATOM 0 HG3 GLU X 39 65.388 9.546 -7.695 1.00 0.00 H new ATOM 602 N HIS X 40 66.243 7.543 -3.099 1.00 0.00 N ATOM 603 CA HIS X 40 66.305 7.797 -1.693 1.00 0.00 C ATOM 604 C HIS X 40 67.463 7.056 -1.081 1.00 0.00 C ATOM 605 O HIS X 40 68.229 7.613 -0.319 1.00 0.00 O ATOM 606 CB HIS X 40 64.986 7.446 -1.011 1.00 0.00 C ATOM 607 CG HIS X 40 64.958 7.805 0.445 1.00 0.00 C ATOM 608 ND1 HIS X 40 64.489 9.001 0.934 1.00 0.00 N ATOM 609 CD2 HIS X 40 65.392 7.109 1.520 1.00 0.00 C ATOM 610 CE1 HIS X 40 64.652 8.996 2.252 1.00 0.00 C ATOM 611 NE2 HIS X 40 65.198 7.867 2.662 1.00 0.00 N ATOM 0 H HIS X 40 65.383 7.089 -3.408 1.00 0.00 H new ATOM 0 HA HIS X 40 66.469 8.864 -1.540 1.00 0.00 H new ATOM 0 HB2 HIS X 40 64.172 7.962 -1.521 1.00 0.00 H new ATOM 0 HB3 HIS X 40 64.803 6.377 -1.118 1.00 0.00 H new ATOM 0 HD1 HIS X 40 64.087 9.759 0.382 1.00 0.00 H new ATOM 0 HD2 HIS X 40 65.822 6.119 1.492 1.00 0.00 H new ATOM 0 HE1 HIS X 40 64.374 9.811 2.904 1.00 0.00 H new ATOM 619 N PHE X 41 67.593 5.829 -1.460 1.00 0.00 N ATOM 620 CA PHE X 41 68.674 4.998 -1.048 1.00 0.00 C ATOM 621 C PHE X 41 70.019 5.648 -1.393 1.00 0.00 C ATOM 622 O PHE X 41 70.860 5.846 -0.525 1.00 0.00 O ATOM 623 CB PHE X 41 68.508 3.654 -1.724 1.00 0.00 C ATOM 624 CG PHE X 41 69.710 2.765 -1.684 1.00 0.00 C ATOM 625 CD1 PHE X 41 70.100 2.164 -0.507 1.00 0.00 C ATOM 626 CD2 PHE X 41 70.463 2.546 -2.819 1.00 0.00 C ATOM 627 CE1 PHE X 41 71.216 1.355 -0.463 1.00 0.00 C ATOM 628 CE2 PHE X 41 71.579 1.742 -2.769 1.00 0.00 C ATOM 629 CZ PHE X 41 71.953 1.146 -1.594 1.00 0.00 C ATOM 0 H PHE X 41 66.932 5.364 -2.082 1.00 0.00 H new ATOM 0 HA PHE X 41 68.664 4.864 0.034 1.00 0.00 H new ATOM 0 HB2 PHE X 41 67.674 3.131 -1.256 1.00 0.00 H new ATOM 0 HB3 PHE X 41 68.235 3.821 -2.766 1.00 0.00 H new ATOM 0 HD1 PHE X 41 69.525 2.329 0.392 1.00 0.00 H new ATOM 0 HD2 PHE X 41 70.175 3.008 -3.752 1.00 0.00 H new ATOM 0 HE1 PHE X 41 71.507 0.887 0.466 1.00 0.00 H new ATOM 0 HE2 PHE X 41 72.164 1.580 -3.662 1.00 0.00 H new ATOM 0 HZ PHE X 41 72.827 0.513 -1.562 1.00 0.00 H new ATOM 639 N VAL X 42 70.188 6.023 -2.635 1.00 0.00 N ATOM 640 CA VAL X 42 71.422 6.636 -3.080 1.00 0.00 C ATOM 641 C VAL X 42 71.682 8.004 -2.481 1.00 0.00 C ATOM 642 O VAL X 42 72.812 8.370 -2.276 1.00 0.00 O ATOM 643 CB VAL X 42 71.643 6.552 -4.615 1.00 0.00 C ATOM 644 CG1 VAL X 42 70.581 7.204 -5.428 1.00 0.00 C ATOM 645 CG2 VAL X 42 73.028 6.971 -5.047 1.00 0.00 C ATOM 0 H VAL X 42 69.483 5.915 -3.364 1.00 0.00 H new ATOM 0 HA VAL X 42 72.212 6.013 -2.661 1.00 0.00 H new ATOM 0 HB VAL X 42 71.558 5.487 -4.831 1.00 0.00 H new ATOM 0 HG11 VAL X 42 70.816 7.097 -6.487 1.00 0.00 H new ATOM 0 HG12 VAL X 42 69.621 6.731 -5.220 1.00 0.00 H new ATOM 0 HG13 VAL X 42 70.526 8.262 -5.174 1.00 0.00 H new ATOM 0 HG21 VAL X 42 73.112 6.888 -6.131 1.00 0.00 H new ATOM 0 HG22 VAL X 42 73.206 8.004 -4.748 1.00 0.00 H new ATOM 0 HG23 VAL X 42 73.768 6.324 -4.575 1.00 0.00 H new ATOM 655 N LYS X 43 70.661 8.740 -2.202 1.00 0.00 N ATOM 656 CA LYS X 43 70.847 10.053 -1.562 1.00 0.00 C ATOM 657 C LYS X 43 71.209 9.897 -0.078 1.00 0.00 C ATOM 658 O LYS X 43 71.943 10.711 0.470 1.00 0.00 O ATOM 659 CB LYS X 43 69.607 10.961 -1.714 1.00 0.00 C ATOM 660 CG LYS X 43 68.424 10.595 -0.798 1.00 0.00 C ATOM 661 CD LYS X 43 67.152 11.334 -1.176 1.00 0.00 C ATOM 662 CE LYS X 43 67.243 12.815 -0.872 1.00 0.00 C ATOM 663 NZ LYS X 43 66.054 13.535 -1.355 1.00 0.00 N ATOM 0 H LYS X 43 69.692 8.485 -2.392 1.00 0.00 H new ATOM 0 HA LYS X 43 71.675 10.537 -2.080 1.00 0.00 H new ATOM 0 HB2 LYS X 43 69.901 11.991 -1.511 1.00 0.00 H new ATOM 0 HB3 LYS X 43 69.271 10.924 -2.750 1.00 0.00 H new ATOM 0 HG2 LYS X 43 68.246 9.521 -0.849 1.00 0.00 H new ATOM 0 HG3 LYS X 43 68.682 10.826 0.235 1.00 0.00 H new ATOM 0 HD2 LYS X 43 66.954 11.194 -2.239 1.00 0.00 H new ATOM 0 HD3 LYS X 43 66.309 10.904 -0.635 1.00 0.00 H new ATOM 0 HE2 LYS X 43 67.348 12.962 0.203 1.00 0.00 H new ATOM 0 HE3 LYS X 43 68.136 13.230 -1.339 1.00 0.00 H new ATOM 0 HZ1 LYS X 43 66.146 14.547 -1.132 1.00 0.00 H new ATOM 0 HZ2 LYS X 43 65.969 13.414 -2.384 1.00 0.00 H new ATOM 0 HZ3 LYS X 43 65.205 13.154 -0.890 1.00 0.00 H new ATOM 677 N ILE X 44 70.686 8.869 0.576 1.00 0.00 N ATOM 678 CA ILE X 44 70.995 8.672 1.972 1.00 0.00 C ATOM 679 C ILE X 44 72.348 8.019 2.146 1.00 0.00 C ATOM 680 O ILE X 44 73.051 8.329 3.085 1.00 0.00 O ATOM 681 CB ILE X 44 69.895 7.903 2.763 1.00 0.00 C ATOM 682 CG1 ILE X 44 69.627 6.531 2.139 1.00 0.00 C ATOM 683 CG2 ILE X 44 68.622 8.739 2.828 1.00 0.00 C ATOM 684 CD1 ILE X 44 68.598 5.693 2.843 1.00 0.00 C ATOM 0 H ILE X 44 70.060 8.176 0.167 1.00 0.00 H new ATOM 0 HA ILE X 44 71.027 9.670 2.408 1.00 0.00 H new ATOM 0 HB ILE X 44 70.249 7.733 3.780 1.00 0.00 H new ATOM 0 HG12 ILE X 44 69.308 6.676 1.107 1.00 0.00 H new ATOM 0 HG13 ILE X 44 70.564 5.975 2.108 1.00 0.00 H new ATOM 0 HG21 ILE X 44 67.857 8.195 3.382 1.00 0.00 H new ATOM 0 HG22 ILE X 44 68.832 9.683 3.331 1.00 0.00 H new ATOM 0 HG23 ILE X 44 68.265 8.938 1.817 1.00 0.00 H new ATOM 0 HD11 ILE X 44 68.484 4.743 2.321 1.00 0.00 H new ATOM 0 HD12 ILE X 44 68.919 5.508 3.868 1.00 0.00 H new ATOM 0 HD13 ILE X 44 67.644 6.219 2.851 1.00 0.00 H new ATOM 696 N THR X 45 72.714 7.092 1.259 1.00 0.00 N ATOM 697 CA THR X 45 74.029 6.485 1.337 1.00 0.00 C ATOM 698 C THR X 45 75.106 7.299 0.624 1.00 0.00 C ATOM 699 O THR X 45 76.291 7.193 0.978 1.00 0.00 O ATOM 700 CB THR X 45 74.093 5.002 0.895 1.00 0.00 C ATOM 701 OG1 THR X 45 75.435 4.536 1.049 1.00 0.00 O ATOM 702 CG2 THR X 45 73.673 4.820 -0.554 1.00 0.00 C ATOM 0 H THR X 45 72.127 6.755 0.496 1.00 0.00 H new ATOM 0 HA THR X 45 74.241 6.493 2.406 1.00 0.00 H new ATOM 0 HB THR X 45 73.402 4.433 1.518 1.00 0.00 H new ATOM 0 HG1 THR X 45 76.054 5.293 0.982 1.00 0.00 H new ATOM 0 HG21 THR X 45 73.733 3.765 -0.821 1.00 0.00 H new ATOM 0 HG22 THR X 45 72.648 5.169 -0.682 1.00 0.00 H new ATOM 0 HG23 THR X 45 74.336 5.396 -1.200 1.00 0.00 H new ATOM 710 N GLU X 46 74.702 8.053 -0.407 1.00 0.00 N ATOM 711 CA GLU X 46 75.600 8.896 -1.221 1.00 0.00 C ATOM 712 C GLU X 46 76.664 8.041 -1.923 1.00 0.00 C ATOM 713 O GLU X 46 77.756 8.516 -2.264 1.00 0.00 O ATOM 714 CB GLU X 46 76.245 9.940 -0.349 1.00 0.00 C ATOM 715 CG GLU X 46 75.282 10.824 0.376 1.00 0.00 C ATOM 716 CD GLU X 46 76.015 11.808 1.244 1.00 0.00 C ATOM 717 OE1 GLU X 46 76.602 11.384 2.280 1.00 0.00 O ATOM 718 OE2 GLU X 46 76.029 13.015 0.941 1.00 0.00 O ATOM 0 H GLU X 46 73.728 8.098 -0.707 1.00 0.00 H new ATOM 0 HA GLU X 46 75.012 9.394 -1.992 1.00 0.00 H new ATOM 0 HB2 GLU X 46 76.882 9.442 0.382 1.00 0.00 H new ATOM 0 HB3 GLU X 46 76.894 10.561 -0.967 1.00 0.00 H new ATOM 0 HG2 GLU X 46 74.659 11.358 -0.342 1.00 0.00 H new ATOM 0 HG3 GLU X 46 74.614 10.218 0.988 1.00 0.00 H new ATOM 725 N HIS X 47 76.304 6.799 -2.177 1.00 0.00 N ATOM 726 CA HIS X 47 77.190 5.839 -2.790 1.00 0.00 C ATOM 727 C HIS X 47 77.153 6.055 -4.310 1.00 0.00 C ATOM 728 O HIS X 47 76.080 6.203 -4.867 1.00 0.00 O ATOM 729 CB HIS X 47 76.727 4.408 -2.421 1.00 0.00 C ATOM 730 CG HIS X 47 77.673 3.324 -2.832 1.00 0.00 C ATOM 731 ND1 HIS X 47 78.870 2.982 -2.313 1.00 0.00 N flip ATOM 732 CD2 HIS X 47 77.470 2.474 -3.890 1.00 0.00 C flip ATOM 733 CE1 HIS X 47 79.413 1.946 -3.050 1.00 0.00 C flip ATOM 734 NE2 HIS X 47 78.536 1.679 -3.980 1.00 0.00 N flip ATOM 0 H HIS X 47 75.379 6.428 -1.960 1.00 0.00 H new ATOM 0 HA HIS X 47 78.212 5.968 -2.434 1.00 0.00 H new ATOM 0 HB2 HIS X 47 76.580 4.354 -1.342 1.00 0.00 H new ATOM 0 HB3 HIS X 47 75.758 4.222 -2.885 1.00 0.00 H new ATOM 0 HD1 HIS X 47 79.307 3.420 -1.502 1.00 0.00 H new ATOM 0 HD2 HIS X 47 76.603 2.453 -4.534 1.00 0.00 H new ATOM 0 HE1 HIS X 47 80.364 1.459 -2.890 1.00 0.00 H new ATOM 742 N PRO X 48 78.306 6.016 -5.013 1.00 0.00 N ATOM 743 CA PRO X 48 78.388 6.338 -6.456 1.00 0.00 C ATOM 744 C PRO X 48 77.852 5.258 -7.325 1.00 0.00 C ATOM 745 O PRO X 48 77.855 5.369 -8.543 1.00 0.00 O ATOM 746 CB PRO X 48 79.876 6.397 -6.723 1.00 0.00 C ATOM 747 CG PRO X 48 80.530 6.400 -5.411 1.00 0.00 C ATOM 748 CD PRO X 48 79.620 5.640 -4.510 1.00 0.00 C ATOM 0 HA PRO X 48 77.820 7.244 -6.669 1.00 0.00 H new ATOM 0 HB2 PRO X 48 80.199 5.541 -7.316 1.00 0.00 H new ATOM 0 HB3 PRO X 48 80.134 7.292 -7.288 1.00 0.00 H new ATOM 0 HG2 PRO X 48 81.513 5.932 -5.462 1.00 0.00 H new ATOM 0 HG3 PRO X 48 80.680 7.417 -5.050 1.00 0.00 H new ATOM 0 HD2 PRO X 48 79.788 4.565 -4.574 1.00 0.00 H new ATOM 0 HD3 PRO X 48 79.752 5.922 -3.465 1.00 0.00 H new ATOM 756 N ASP X 49 77.405 4.225 -6.716 1.00 0.00 N ATOM 757 CA ASP X 49 76.967 3.101 -7.417 1.00 0.00 C ATOM 758 C ASP X 49 75.731 2.639 -6.715 1.00 0.00 C ATOM 759 O ASP X 49 75.473 1.445 -6.606 1.00 0.00 O ATOM 760 CB ASP X 49 78.011 1.968 -7.421 1.00 0.00 C ATOM 761 CG ASP X 49 79.296 2.298 -8.135 1.00 0.00 C ATOM 762 OD1 ASP X 49 79.308 2.328 -9.385 1.00 0.00 O ATOM 763 OD2 ASP X 49 80.331 2.520 -7.453 1.00 0.00 O ATOM 0 H ASP X 49 77.336 4.145 -5.701 1.00 0.00 H new ATOM 0 HA ASP X 49 76.790 3.358 -8.461 1.00 0.00 H new ATOM 0 HB2 ASP X 49 78.242 1.702 -6.390 1.00 0.00 H new ATOM 0 HB3 ASP X 49 77.569 1.087 -7.886 1.00 0.00 H new ATOM 768 N GLY X 50 74.987 3.620 -6.196 1.00 0.00 N ATOM 769 CA GLY X 50 73.787 3.391 -5.407 1.00 0.00 C ATOM 770 C GLY X 50 72.872 2.432 -6.021 1.00 0.00 C ATOM 771 O GLY X 50 72.584 1.385 -5.455 1.00 0.00 O ATOM 0 H GLY X 50 75.210 4.608 -6.318 1.00 0.00 H new ATOM 0 HA2 GLY X 50 74.072 3.030 -4.419 1.00 0.00 H new ATOM 0 HA3 GLY X 50 73.268 4.339 -5.263 1.00 0.00 H new ATOM 775 N THR X 51 72.485 2.690 -7.191 1.00 0.00 N ATOM 776 CA THR X 51 71.547 1.810 -7.759 1.00 0.00 C ATOM 777 C THR X 51 72.143 0.601 -8.385 1.00 0.00 C ATOM 778 O THR X 51 71.477 -0.415 -8.505 1.00 0.00 O ATOM 779 CB THR X 51 70.485 2.457 -8.576 1.00 0.00 C ATOM 780 OG1 THR X 51 70.994 3.652 -9.184 1.00 0.00 O ATOM 781 CG2 THR X 51 69.318 2.746 -7.680 1.00 0.00 C ATOM 0 H THR X 51 72.785 3.475 -7.769 1.00 0.00 H new ATOM 0 HA THR X 51 71.005 1.432 -6.892 1.00 0.00 H new ATOM 0 HB THR X 51 70.161 1.798 -9.382 1.00 0.00 H new ATOM 0 HG1 THR X 51 70.290 4.071 -9.721 1.00 0.00 H new ATOM 0 HG21 THR X 51 68.525 3.221 -8.257 1.00 0.00 H new ATOM 0 HG22 THR X 51 68.947 1.814 -7.253 1.00 0.00 H new ATOM 0 HG23 THR X 51 69.632 3.413 -6.877 1.00 0.00 H new ATOM 789 N ALA X 52 73.420 0.670 -8.707 1.00 0.00 N ATOM 790 CA ALA X 52 74.118 -0.484 -9.195 1.00 0.00 C ATOM 791 C ALA X 52 74.106 -1.534 -8.122 1.00 0.00 C ATOM 792 O ALA X 52 73.925 -2.691 -8.419 1.00 0.00 O ATOM 793 CB ALA X 52 75.529 -0.148 -9.634 1.00 0.00 C ATOM 0 H ALA X 52 73.987 1.515 -8.637 1.00 0.00 H new ATOM 0 HA ALA X 52 73.612 -0.863 -10.083 1.00 0.00 H new ATOM 0 HB1 ALA X 52 76.022 -1.050 -9.996 1.00 0.00 H new ATOM 0 HB2 ALA X 52 75.495 0.593 -10.433 1.00 0.00 H new ATOM 0 HB3 ALA X 52 76.087 0.255 -8.789 1.00 0.00 H new ATOM 799 N LEU X 53 74.218 -1.097 -6.861 1.00 0.00 N ATOM 800 CA LEU X 53 74.107 -2.002 -5.729 1.00 0.00 C ATOM 801 C LEU X 53 72.750 -2.666 -5.658 1.00 0.00 C ATOM 802 O LEU X 53 72.672 -3.862 -5.445 1.00 0.00 O ATOM 803 CB LEU X 53 74.435 -1.337 -4.400 1.00 0.00 C ATOM 804 CG LEU X 53 75.889 -0.924 -4.194 1.00 0.00 C ATOM 805 CD1 LEU X 53 76.096 -0.490 -2.773 1.00 0.00 C ATOM 806 CD2 LEU X 53 76.847 -2.056 -4.541 1.00 0.00 C ATOM 0 H LEU X 53 74.385 -0.123 -6.608 1.00 0.00 H new ATOM 0 HA LEU X 53 74.858 -2.772 -5.905 1.00 0.00 H new ATOM 0 HB2 LEU X 53 73.809 -0.451 -4.297 1.00 0.00 H new ATOM 0 HB3 LEU X 53 74.156 -2.019 -3.597 1.00 0.00 H new ATOM 0 HG LEU X 53 76.103 -0.092 -4.865 1.00 0.00 H new ATOM 0 HD11 LEU X 53 77.136 -0.196 -2.630 1.00 0.00 H new ATOM 0 HD12 LEU X 53 75.446 0.357 -2.553 1.00 0.00 H new ATOM 0 HD13 LEU X 53 75.857 -1.315 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU X 53 77.873 -1.726 -4.382 1.00 0.00 H new ATOM 0 HD22 LEU X 53 76.640 -2.916 -3.904 1.00 0.00 H new ATOM 0 HD23 LEU X 53 76.714 -2.338 -5.586 1.00 0.00 H new ATOM 818 N ILE X 54 71.678 -1.906 -5.886 1.00 0.00 N ATOM 819 CA ILE X 54 70.326 -2.498 -5.810 1.00 0.00 C ATOM 820 C ILE X 54 70.166 -3.503 -6.940 1.00 0.00 C ATOM 821 O ILE X 54 69.711 -4.636 -6.757 1.00 0.00 O ATOM 822 CB ILE X 54 69.161 -1.444 -5.919 1.00 0.00 C ATOM 823 CG1 ILE X 54 69.210 -0.403 -4.785 1.00 0.00 C ATOM 824 CG2 ILE X 54 67.796 -2.134 -5.955 1.00 0.00 C ATOM 825 CD1 ILE X 54 69.324 -1.000 -3.434 1.00 0.00 C ATOM 0 H ILE X 54 71.706 -0.913 -6.118 1.00 0.00 H new ATOM 0 HA ILE X 54 70.247 -2.963 -4.827 1.00 0.00 H new ATOM 0 HB ILE X 54 69.306 -0.910 -6.858 1.00 0.00 H new ATOM 0 HG12 ILE X 54 70.057 0.263 -4.951 1.00 0.00 H new ATOM 0 HG13 ILE X 54 68.310 0.210 -4.827 1.00 0.00 H new ATOM 0 HG21 ILE X 54 67.010 -1.382 -6.030 1.00 0.00 H new ATOM 0 HG22 ILE X 54 67.747 -2.798 -6.818 1.00 0.00 H new ATOM 0 HG23 ILE X 54 67.657 -2.714 -5.042 1.00 0.00 H new ATOM 0 HD11 ILE X 54 69.353 -0.207 -2.687 1.00 0.00 H new ATOM 0 HD12 ILE X 54 68.464 -1.643 -3.247 1.00 0.00 H new ATOM 0 HD13 ILE X 54 70.239 -1.590 -3.373 1.00 0.00 H new ATOM 837 N TYR X 55 70.579 -3.072 -8.093 1.00 0.00 N ATOM 838 CA TYR X 55 70.482 -3.836 -9.287 1.00 0.00 C ATOM 839 C TYR X 55 71.306 -5.115 -9.257 1.00 0.00 C ATOM 840 O TYR X 55 70.823 -6.181 -9.677 1.00 0.00 O ATOM 841 CB TYR X 55 70.762 -2.966 -10.490 1.00 0.00 C ATOM 842 CG TYR X 55 69.552 -2.157 -10.890 1.00 0.00 C ATOM 843 CD1 TYR X 55 69.103 -1.123 -10.093 1.00 0.00 C ATOM 844 CD2 TYR X 55 68.833 -2.459 -12.033 1.00 0.00 C ATOM 845 CE1 TYR X 55 67.994 -0.404 -10.407 1.00 0.00 C ATOM 846 CE2 TYR X 55 67.701 -1.743 -12.365 1.00 0.00 C ATOM 847 CZ TYR X 55 67.285 -0.715 -11.547 1.00 0.00 C ATOM 848 OH TYR X 55 66.151 0.002 -11.866 1.00 0.00 O ATOM 0 H TYR X 55 71.003 -2.154 -8.227 1.00 0.00 H new ATOM 0 HA TYR X 55 69.454 -4.189 -9.369 1.00 0.00 H new ATOM 0 HB2 TYR X 55 71.591 -2.294 -10.268 1.00 0.00 H new ATOM 0 HB3 TYR X 55 71.074 -3.592 -11.326 1.00 0.00 H new ATOM 0 HD1 TYR X 55 69.649 -0.879 -9.194 1.00 0.00 H new ATOM 0 HD2 TYR X 55 69.162 -3.265 -12.673 1.00 0.00 H new ATOM 0 HE1 TYR X 55 67.671 0.405 -9.768 1.00 0.00 H new ATOM 0 HE2 TYR X 55 67.146 -1.986 -13.259 1.00 0.00 H new ATOM 0 HH TYR X 55 65.770 -0.343 -12.701 1.00 0.00 H new ATOM 858 N GLU X 56 72.527 -5.030 -8.746 1.00 0.00 N ATOM 859 CA GLU X 56 73.348 -6.212 -8.598 1.00 0.00 C ATOM 860 C GLU X 56 72.784 -7.112 -7.534 1.00 0.00 C ATOM 861 O GLU X 56 72.847 -8.309 -7.665 1.00 0.00 O ATOM 862 CB GLU X 56 74.842 -5.942 -8.344 1.00 0.00 C ATOM 863 CG GLU X 56 75.146 -5.071 -7.151 1.00 0.00 C ATOM 864 CD GLU X 56 76.580 -5.143 -6.726 1.00 0.00 C ATOM 865 OE1 GLU X 56 77.421 -4.463 -7.326 1.00 0.00 O ATOM 866 OE2 GLU X 56 76.902 -5.906 -5.791 1.00 0.00 O ATOM 0 H GLU X 56 72.962 -4.163 -8.432 1.00 0.00 H new ATOM 0 HA GLU X 56 73.313 -6.708 -9.568 1.00 0.00 H new ATOM 0 HB2 GLU X 56 75.350 -6.898 -8.214 1.00 0.00 H new ATOM 0 HB3 GLU X 56 75.266 -5.474 -9.232 1.00 0.00 H new ATOM 0 HG2 GLU X 56 74.894 -4.037 -7.389 1.00 0.00 H new ATOM 0 HG3 GLU X 56 74.510 -5.370 -6.318 1.00 0.00 H new ATOM 873 N ALA X 57 72.211 -6.522 -6.484 1.00 0.00 N ATOM 874 CA ALA X 57 71.648 -7.274 -5.367 1.00 0.00 C ATOM 875 C ALA X 57 70.606 -8.246 -5.838 1.00 0.00 C ATOM 876 O ALA X 57 70.563 -9.373 -5.353 1.00 0.00 O ATOM 877 CB ALA X 57 71.030 -6.350 -4.351 1.00 0.00 C ATOM 0 H ALA X 57 72.125 -5.510 -6.386 1.00 0.00 H new ATOM 0 HA ALA X 57 72.469 -7.823 -4.905 1.00 0.00 H new ATOM 0 HB1 ALA X 57 70.618 -6.936 -3.529 1.00 0.00 H new ATOM 0 HB2 ALA X 57 71.791 -5.671 -3.967 1.00 0.00 H new ATOM 0 HB3 ALA X 57 70.233 -5.773 -4.821 1.00 0.00 H new ATOM 1025 N GLY X 71 70.579 -9.324 -2.425 1.00 0.00 N ATOM 1026 CA GLY X 71 69.407 -8.809 -1.822 1.00 0.00 C ATOM 1027 C GLY X 71 69.655 -7.633 -0.886 1.00 0.00 C ATOM 1028 O GLY X 71 70.694 -6.956 -0.961 1.00 0.00 O ATOM 0 HA2 GLY X 71 68.715 -8.497 -2.605 1.00 0.00 H new ATOM 0 HA3 GLY X 71 68.918 -9.607 -1.264 1.00 0.00 H new ATOM 1032 N PRO X 72 68.741 -7.428 0.044 1.00 0.00 N ATOM 1033 CA PRO X 72 68.741 -6.280 0.924 1.00 0.00 C ATOM 1034 C PRO X 72 69.835 -6.309 1.983 1.00 0.00 C ATOM 1035 O PRO X 72 70.648 -5.407 2.056 1.00 0.00 O ATOM 1036 CB PRO X 72 67.370 -6.321 1.578 1.00 0.00 C ATOM 1037 CG PRO X 72 66.876 -7.722 1.420 1.00 0.00 C ATOM 1038 CD PRO X 72 67.620 -8.338 0.290 1.00 0.00 C ATOM 0 HA PRO X 72 68.941 -5.368 0.362 1.00 0.00 H new ATOM 0 HB2 PRO X 72 67.432 -6.046 2.631 1.00 0.00 H new ATOM 0 HB3 PRO X 72 66.691 -5.613 1.104 1.00 0.00 H new ATOM 0 HG2 PRO X 72 67.035 -8.289 2.337 1.00 0.00 H new ATOM 0 HG3 PRO X 72 65.804 -7.730 1.222 1.00 0.00 H new ATOM 0 HD2 PRO X 72 67.970 -9.338 0.545 1.00 0.00 H new ATOM 0 HD3 PRO X 72 66.989 -8.437 -0.593 1.00 0.00 H new ATOM 1046 N GLU X 73 69.874 -7.359 2.774 1.00 0.00 N ATOM 1047 CA GLU X 73 70.813 -7.477 3.887 1.00 0.00 C ATOM 1048 C GLU X 73 72.297 -7.572 3.473 1.00 0.00 C ATOM 1049 O GLU X 73 73.183 -7.657 4.328 1.00 0.00 O ATOM 1050 CB GLU X 73 70.391 -8.596 4.818 1.00 0.00 C ATOM 1051 CG GLU X 73 69.013 -8.353 5.401 1.00 0.00 C ATOM 1052 CD GLU X 73 68.544 -9.456 6.310 1.00 0.00 C ATOM 1053 OE1 GLU X 73 69.007 -9.553 7.457 1.00 0.00 O ATOM 1054 OE2 GLU X 73 67.683 -10.250 5.887 1.00 0.00 O ATOM 0 H GLU X 73 69.255 -8.163 2.669 1.00 0.00 H new ATOM 0 HA GLU X 73 70.760 -6.534 4.432 1.00 0.00 H new ATOM 0 HB2 GLU X 73 70.395 -9.541 4.275 1.00 0.00 H new ATOM 0 HB3 GLU X 73 71.116 -8.690 5.626 1.00 0.00 H new ATOM 0 HG2 GLU X 73 69.022 -7.415 5.956 1.00 0.00 H new ATOM 0 HG3 GLU X 73 68.298 -8.235 4.587 1.00 0.00 H new ATOM 1061 N GLY X 74 72.573 -7.527 2.192 1.00 0.00 N ATOM 1062 CA GLY X 74 73.951 -7.519 1.785 1.00 0.00 C ATOM 1063 C GLY X 74 74.414 -6.206 1.196 1.00 0.00 C ATOM 1064 O GLY X 74 75.578 -5.832 1.358 1.00 0.00 O ATOM 0 H GLY X 74 71.886 -7.496 1.438 1.00 0.00 H new ATOM 0 HA2 GLY X 74 74.574 -7.758 2.647 1.00 0.00 H new ATOM 0 HA3 GLY X 74 74.106 -8.309 1.050 1.00 0.00 H new ATOM 1068 N ILE X 75 73.525 -5.485 0.544 1.00 0.00 N ATOM 1069 CA ILE X 75 73.883 -4.173 0.001 1.00 0.00 C ATOM 1070 C ILE X 75 74.161 -3.189 1.122 1.00 0.00 C ATOM 1071 O ILE X 75 75.030 -2.360 1.010 1.00 0.00 O ATOM 1072 CB ILE X 75 72.810 -3.618 -0.949 1.00 0.00 C ATOM 1073 CG1 ILE X 75 71.446 -3.701 -0.280 1.00 0.00 C ATOM 1074 CG2 ILE X 75 72.847 -4.361 -2.252 1.00 0.00 C ATOM 1075 CD1 ILE X 75 70.269 -3.273 -1.100 1.00 0.00 C ATOM 0 H ILE X 75 72.561 -5.772 0.374 1.00 0.00 H new ATOM 0 HA ILE X 75 74.791 -4.309 -0.587 1.00 0.00 H new ATOM 0 HB ILE X 75 73.010 -2.569 -1.167 1.00 0.00 H new ATOM 0 HG12 ILE X 75 71.284 -4.731 0.036 1.00 0.00 H new ATOM 0 HG13 ILE X 75 71.472 -3.091 0.623 1.00 0.00 H new ATOM 0 HG21 ILE X 75 72.084 -3.962 -2.920 1.00 0.00 H new ATOM 0 HG22 ILE X 75 73.829 -4.242 -2.711 1.00 0.00 H new ATOM 0 HG23 ILE X 75 72.656 -5.419 -2.073 1.00 0.00 H new ATOM 0 HD11 ILE X 75 69.358 -3.379 -0.512 1.00 0.00 H new ATOM 0 HD12 ILE X 75 70.391 -2.231 -1.395 1.00 0.00 H new ATOM 0 HD13 ILE X 75 70.200 -3.897 -1.991 1.00 0.00 H new ATOM 1087 N VAL X 76 73.434 -3.339 2.218 1.00 0.00 N ATOM 1088 CA VAL X 76 73.635 -2.544 3.437 1.00 0.00 C ATOM 1089 C VAL X 76 75.020 -2.718 3.964 1.00 0.00 C ATOM 1090 O VAL X 76 75.684 -1.770 4.374 1.00 0.00 O ATOM 1091 CB VAL X 76 72.600 -2.945 4.516 1.00 0.00 C ATOM 1092 CG1 VAL X 76 72.237 -4.385 4.488 1.00 0.00 C ATOM 1093 CG2 VAL X 76 72.893 -2.439 5.920 1.00 0.00 C ATOM 0 H VAL X 76 72.679 -4.020 2.295 1.00 0.00 H new ATOM 0 HA VAL X 76 73.494 -1.493 3.184 1.00 0.00 H new ATOM 0 HB VAL X 76 71.706 -2.398 4.216 1.00 0.00 H new ATOM 0 HG11 VAL X 76 71.508 -4.592 5.272 1.00 0.00 H new ATOM 0 HG12 VAL X 76 71.807 -4.633 3.518 1.00 0.00 H new ATOM 0 HG13 VAL X 76 73.129 -4.988 4.654 1.00 0.00 H new ATOM 0 HG21 VAL X 76 72.109 -2.775 6.599 1.00 0.00 H new ATOM 0 HG22 VAL X 76 73.854 -2.830 6.254 1.00 0.00 H new ATOM 0 HG23 VAL X 76 72.926 -1.350 5.915 1.00 0.00 H new ATOM 1103 N LYS X 77 75.426 -3.922 3.949 1.00 0.00 N ATOM 1104 CA LYS X 77 76.758 -4.288 4.355 1.00 0.00 C ATOM 1105 C LYS X 77 77.792 -3.629 3.441 1.00 0.00 C ATOM 1106 O LYS X 77 78.735 -3.016 3.927 1.00 0.00 O ATOM 1107 CB LYS X 77 76.927 -5.797 4.369 1.00 0.00 C ATOM 1108 CG LYS X 77 78.304 -6.258 4.799 1.00 0.00 C ATOM 1109 CD LYS X 77 78.367 -7.754 4.851 1.00 0.00 C ATOM 1110 CE LYS X 77 79.737 -8.242 5.249 1.00 0.00 C ATOM 1111 NZ LYS X 77 79.762 -9.706 5.364 1.00 0.00 N ATOM 0 H LYS X 77 74.849 -4.709 3.653 1.00 0.00 H new ATOM 0 HA LYS X 77 76.919 -3.928 5.371 1.00 0.00 H new ATOM 0 HB2 LYS X 77 76.184 -6.229 5.040 1.00 0.00 H new ATOM 0 HB3 LYS X 77 76.720 -6.185 3.372 1.00 0.00 H new ATOM 0 HG2 LYS X 77 79.053 -5.881 4.103 1.00 0.00 H new ATOM 0 HG3 LYS X 77 78.542 -5.844 5.779 1.00 0.00 H new ATOM 0 HD2 LYS X 77 77.628 -8.125 5.562 1.00 0.00 H new ATOM 0 HD3 LYS X 77 78.104 -8.163 3.875 1.00 0.00 H new ATOM 0 HE2 LYS X 77 80.471 -7.919 4.510 1.00 0.00 H new ATOM 0 HE3 LYS X 77 80.024 -7.794 6.200 1.00 0.00 H new ATOM 0 HZ1 LYS X 77 80.716 -10.016 5.639 1.00 0.00 H new ATOM 0 HZ2 LYS X 77 79.078 -10.009 6.086 1.00 0.00 H new ATOM 0 HZ3 LYS X 77 79.510 -10.130 4.449 1.00 0.00 H new ATOM 1125 N GLU X 78 77.575 -3.715 2.129 1.00 0.00 N ATOM 1126 CA GLU X 78 78.477 -3.087 1.157 1.00 0.00 C ATOM 1127 C GLU X 78 78.513 -1.563 1.406 1.00 0.00 C ATOM 1128 O GLU X 78 79.578 -0.933 1.387 1.00 0.00 O ATOM 1129 CB GLU X 78 78.026 -3.408 -0.296 1.00 0.00 C ATOM 1130 CG GLU X 78 79.066 -3.064 -1.353 1.00 0.00 C ATOM 1131 CD GLU X 78 80.291 -3.962 -1.294 1.00 0.00 C ATOM 1132 OE1 GLU X 78 81.116 -3.827 -0.365 1.00 0.00 O ATOM 1133 OE2 GLU X 78 80.466 -4.812 -2.201 1.00 0.00 O ATOM 0 H GLU X 78 76.786 -4.211 1.713 1.00 0.00 H new ATOM 0 HA GLU X 78 79.482 -3.489 1.283 1.00 0.00 H new ATOM 0 HB2 GLU X 78 77.788 -4.469 -0.366 1.00 0.00 H new ATOM 0 HB3 GLU X 78 77.108 -2.860 -0.511 1.00 0.00 H new ATOM 0 HG2 GLU X 78 78.612 -3.142 -2.341 1.00 0.00 H new ATOM 0 HG3 GLU X 78 79.376 -2.027 -1.226 1.00 0.00 H new ATOM 1140 N ILE X 79 77.344 -1.013 1.697 1.00 0.00 N ATOM 1141 CA ILE X 79 77.174 0.396 2.011 1.00 0.00 C ATOM 1142 C ILE X 79 77.951 0.787 3.266 1.00 0.00 C ATOM 1143 O ILE X 79 78.679 1.796 3.274 1.00 0.00 O ATOM 1144 CB ILE X 79 75.652 0.748 2.202 1.00 0.00 C ATOM 1145 CG1 ILE X 79 74.886 0.701 0.871 1.00 0.00 C ATOM 1146 CG2 ILE X 79 75.425 2.069 2.931 1.00 0.00 C ATOM 1147 CD1 ILE X 79 75.420 1.626 -0.192 1.00 0.00 C ATOM 0 H ILE X 79 76.473 -1.543 1.722 1.00 0.00 H new ATOM 0 HA ILE X 79 77.569 0.963 1.168 1.00 0.00 H new ATOM 0 HB ILE X 79 75.246 -0.029 2.850 1.00 0.00 H new ATOM 0 HG12 ILE X 79 74.908 -0.320 0.490 1.00 0.00 H new ATOM 0 HG13 ILE X 79 73.841 0.949 1.059 1.00 0.00 H new ATOM 0 HG21 ILE X 79 74.355 2.251 3.029 1.00 0.00 H new ATOM 0 HG22 ILE X 79 75.877 2.020 3.922 1.00 0.00 H new ATOM 0 HG23 ILE X 79 75.881 2.881 2.364 1.00 0.00 H new ATOM 0 HD11 ILE X 79 74.819 1.527 -1.096 1.00 0.00 H new ATOM 0 HD12 ILE X 79 75.372 2.655 0.164 1.00 0.00 H new ATOM 0 HD13 ILE X 79 76.455 1.366 -0.414 1.00 0.00 H new ATOM 1159 N LYS X 80 77.840 -0.017 4.306 1.00 0.00 N ATOM 1160 CA LYS X 80 78.471 0.321 5.548 1.00 0.00 C ATOM 1161 C LYS X 80 79.973 0.199 5.434 1.00 0.00 C ATOM 1162 O LYS X 80 80.699 1.009 5.990 1.00 0.00 O ATOM 1163 CB LYS X 80 77.913 -0.482 6.740 1.00 0.00 C ATOM 1164 CG LYS X 80 78.371 -1.921 6.896 1.00 0.00 C ATOM 1165 CD LYS X 80 77.645 -2.570 8.067 1.00 0.00 C ATOM 1166 CE LYS X 80 78.079 -4.010 8.297 1.00 0.00 C ATOM 1167 NZ LYS X 80 79.495 -4.134 8.714 1.00 0.00 N ATOM 0 H LYS X 80 77.323 -0.896 4.308 1.00 0.00 H new ATOM 0 HA LYS X 80 78.232 1.364 5.758 1.00 0.00 H new ATOM 0 HB2 LYS X 80 78.169 0.053 7.654 1.00 0.00 H new ATOM 0 HB3 LYS X 80 76.826 -0.482 6.665 1.00 0.00 H new ATOM 0 HG2 LYS X 80 78.172 -2.477 5.980 1.00 0.00 H new ATOM 0 HG3 LYS X 80 79.448 -1.954 7.061 1.00 0.00 H new ATOM 0 HD2 LYS X 80 77.829 -1.990 8.971 1.00 0.00 H new ATOM 0 HD3 LYS X 80 76.571 -2.543 7.884 1.00 0.00 H new ATOM 0 HE2 LYS X 80 77.442 -4.457 9.060 1.00 0.00 H new ATOM 0 HE3 LYS X 80 77.926 -4.580 7.380 1.00 0.00 H new ATOM 0 HZ1 LYS X 80 79.706 -5.128 8.936 1.00 0.00 H new ATOM 0 HZ2 LYS X 80 80.114 -3.813 7.942 1.00 0.00 H new ATOM 0 HZ3 LYS X 80 79.661 -3.548 9.557 1.00 0.00 H new ATOM 1181 N GLU X 81 80.432 -0.784 4.670 1.00 0.00 N ATOM 1182 CA GLU X 81 81.850 -0.997 4.497 1.00 0.00 C ATOM 1183 C GLU X 81 82.488 0.132 3.709 1.00 0.00 C ATOM 1184 O GLU X 81 83.581 0.591 4.051 1.00 0.00 O ATOM 1185 CB GLU X 81 82.165 -2.366 3.886 1.00 0.00 C ATOM 1186 CG GLU X 81 81.723 -3.527 4.762 1.00 0.00 C ATOM 1187 CD GLU X 81 82.222 -4.868 4.280 1.00 0.00 C ATOM 1188 OE1 GLU X 81 83.346 -5.262 4.673 1.00 0.00 O ATOM 1189 OE2 GLU X 81 81.507 -5.568 3.551 1.00 0.00 O ATOM 0 H GLU X 81 79.839 -1.441 4.164 1.00 0.00 H new ATOM 0 HA GLU X 81 82.294 -0.994 5.493 1.00 0.00 H new ATOM 0 HB2 GLU X 81 81.676 -2.445 2.915 1.00 0.00 H new ATOM 0 HB3 GLU X 81 83.238 -2.440 3.709 1.00 0.00 H new ATOM 0 HG2 GLU X 81 82.078 -3.360 5.779 1.00 0.00 H new ATOM 0 HG3 GLU X 81 80.634 -3.547 4.803 1.00 0.00 H new ATOM 1196 N TRP X 82 81.794 0.601 2.694 1.00 0.00 N ATOM 1197 CA TRP X 82 82.273 1.696 1.884 1.00 0.00 C ATOM 1198 C TRP X 82 82.305 2.981 2.699 1.00 0.00 C ATOM 1199 O TRP X 82 83.315 3.687 2.738 1.00 0.00 O ATOM 1200 CB TRP X 82 81.342 1.869 0.675 1.00 0.00 C ATOM 1201 CG TRP X 82 81.730 2.952 -0.296 1.00 0.00 C ATOM 1202 CD1 TRP X 82 82.590 2.831 -1.338 1.00 0.00 C ATOM 1203 CD2 TRP X 82 81.247 4.313 -0.335 1.00 0.00 C ATOM 1204 NE1 TRP X 82 82.675 4.013 -2.028 1.00 0.00 N ATOM 1205 CE2 TRP X 82 81.864 4.937 -1.435 1.00 0.00 C ATOM 1206 CE3 TRP X 82 80.355 5.058 0.450 1.00 0.00 C ATOM 1207 CZ2 TRP X 82 81.619 6.265 -1.778 1.00 0.00 C ATOM 1208 CZ3 TRP X 82 80.116 6.377 0.114 1.00 0.00 C ATOM 1209 CH2 TRP X 82 80.741 6.968 -0.992 1.00 0.00 C ATOM 0 H TRP X 82 80.886 0.234 2.409 1.00 0.00 H new ATOM 0 HA TRP X 82 83.285 1.477 1.543 1.00 0.00 H new ATOM 0 HB2 TRP X 82 81.296 0.923 0.136 1.00 0.00 H new ATOM 0 HB3 TRP X 82 80.336 2.077 1.040 1.00 0.00 H new ATOM 0 HD1 TRP X 82 83.131 1.931 -1.589 1.00 0.00 H new ATOM 0 HE1 TRP X 82 83.252 4.176 -2.853 1.00 0.00 H new ATOM 0 HE3 TRP X 82 79.864 4.609 1.301 1.00 0.00 H new ATOM 0 HZ2 TRP X 82 82.101 6.723 -2.629 1.00 0.00 H new ATOM 0 HZ3 TRP X 82 79.436 6.963 0.714 1.00 0.00 H new ATOM 0 HH2 TRP X 82 80.527 7.999 -1.231 1.00 0.00 H new ATOM 1220 N ARG X 83 81.218 3.257 3.391 1.00 0.00 N ATOM 1221 CA ARG X 83 81.079 4.514 4.089 1.00 0.00 C ATOM 1222 C ARG X 83 81.984 4.610 5.299 1.00 0.00 C ATOM 1223 O ARG X 83 82.555 5.673 5.559 1.00 0.00 O ATOM 1224 CB ARG X 83 79.644 4.772 4.465 1.00 0.00 C ATOM 1225 CG ARG X 83 79.248 6.209 4.276 1.00 0.00 C ATOM 1226 CD ARG X 83 77.789 6.375 4.473 1.00 0.00 C ATOM 1227 NE ARG X 83 77.328 7.720 4.150 1.00 0.00 N ATOM 1228 CZ ARG X 83 76.051 8.028 4.012 1.00 0.00 C ATOM 1229 NH1 ARG X 83 75.133 7.113 4.264 1.00 0.00 N ATOM 1230 NH2 ARG X 83 75.675 9.239 3.637 1.00 0.00 N ATOM 0 H ARG X 83 80.421 2.628 3.484 1.00 0.00 H new ATOM 0 HA ARG X 83 81.397 5.293 3.396 1.00 0.00 H new ATOM 0 HB2 ARG X 83 78.994 4.137 3.862 1.00 0.00 H new ATOM 0 HB3 ARG X 83 79.488 4.490 5.506 1.00 0.00 H new ATOM 0 HG2 ARG X 83 79.790 6.838 4.982 1.00 0.00 H new ATOM 0 HG3 ARG X 83 79.526 6.540 3.276 1.00 0.00 H new ATOM 0 HD2 ARG X 83 77.258 5.654 3.851 1.00 0.00 H new ATOM 0 HD3 ARG X 83 77.538 6.148 5.509 1.00 0.00 H new ATOM 0 HE ARG X 83 78.023 8.456 4.025 1.00 0.00 H new ATOM 0 HH11 ARG X 83 75.413 6.179 4.562 1.00 0.00 H new ATOM 0 HH12 ARG X 83 74.144 7.341 4.161 1.00 0.00 H new ATOM 0 HH21 ARG X 83 76.376 9.955 3.449 1.00 0.00 H new ATOM 0 HH22 ARG X 83 74.684 9.457 3.536 1.00 0.00 H new ATOM 1244 N ALA X 84 82.141 3.509 6.017 1.00 0.00 N ATOM 1245 CA ALA X 84 82.996 3.486 7.200 1.00 0.00 C ATOM 1246 C ALA X 84 84.455 3.648 6.805 1.00 0.00 C ATOM 1247 O ALA X 84 85.211 4.355 7.469 1.00 0.00 O ATOM 1248 CB ALA X 84 82.790 2.213 8.001 1.00 0.00 C ATOM 0 H ALA X 84 81.690 2.619 5.804 1.00 0.00 H new ATOM 0 HA ALA X 84 82.717 4.326 7.836 1.00 0.00 H new ATOM 0 HB1 ALA X 84 83.440 2.224 8.876 1.00 0.00 H new ATOM 0 HB2 ALA X 84 81.750 2.149 8.322 1.00 0.00 H new ATOM 0 HB3 ALA X 84 83.031 1.350 7.381 1.00 0.00 H new ATOM 1254 N ALA X 85 84.837 3.030 5.692 1.00 0.00 N ATOM 1255 CA ALA X 85 86.197 3.142 5.195 1.00 0.00 C ATOM 1256 C ALA X 85 86.457 4.551 4.672 1.00 0.00 C ATOM 1257 O ALA X 85 87.586 5.072 4.748 1.00 0.00 O ATOM 1258 CB ALA X 85 86.446 2.125 4.105 1.00 0.00 C ATOM 0 H ALA X 85 84.223 2.449 5.121 1.00 0.00 H new ATOM 0 HA ALA X 85 86.883 2.944 6.019 1.00 0.00 H new ATOM 0 HB1 ALA X 85 87.470 2.222 3.743 1.00 0.00 H new ATOM 0 HB2 ALA X 85 86.296 1.121 4.503 1.00 0.00 H new ATOM 0 HB3 ALA X 85 85.753 2.297 3.282 1.00 0.00 H new ATOM 1264 N ASN X 86 85.410 5.166 4.149 1.00 0.00 N ATOM 1265 CA ASN X 86 85.476 6.526 3.625 1.00 0.00 C ATOM 1266 C ASN X 86 85.564 7.517 4.799 1.00 0.00 C ATOM 1267 O ASN X 86 86.188 8.572 4.703 1.00 0.00 O ATOM 1268 CB ASN X 86 84.210 6.833 2.781 1.00 0.00 C ATOM 1269 CG ASN X 86 84.335 8.070 1.895 1.00 0.00 C ATOM 1270 OD1 ASN X 86 83.612 8.078 0.800 1.00 0.00 O flip ATOM 1271 ND2 ASN X 86 85.044 9.013 2.202 1.00 0.00 N flip ATOM 0 H ASN X 86 84.487 4.738 4.074 1.00 0.00 H new ATOM 0 HA ASN X 86 86.357 6.625 2.991 1.00 0.00 H new ATOM 0 HB2 ASN X 86 83.988 5.971 2.153 1.00 0.00 H new ATOM 0 HB3 ASN X 86 83.362 6.965 3.453 1.00 0.00 H new ATOM 0 HD21 ASN X 86 85.595 8.979 3.060 1.00 0.00 H new ATOM 0 HD22 ASN X 86 85.086 9.836 1.601 1.00 0.00 H new ATOM 1278 N GLY X 87 84.964 7.147 5.915 1.00 0.00 N ATOM 1279 CA GLY X 87 84.931 8.021 7.068 1.00 0.00 C ATOM 1280 C GLY X 87 83.722 8.920 7.014 1.00 0.00 C ATOM 1281 O GLY X 87 83.714 10.035 7.550 1.00 0.00 O ATOM 0 H GLY X 87 84.495 6.251 6.046 1.00 0.00 H new ATOM 0 HA2 GLY X 87 84.909 7.427 7.982 1.00 0.00 H new ATOM 0 HA3 GLY X 87 85.839 8.624 7.101 1.00 0.00 H new ATOM 1285 N LYS X 88 82.706 8.444 6.350 1.00 0.00 N ATOM 1286 CA LYS X 88 81.505 9.139 6.174 1.00 0.00 C ATOM 1287 C LYS X 88 80.430 8.510 7.045 1.00 0.00 C ATOM 1288 O LYS X 88 80.320 7.287 7.080 1.00 0.00 O ATOM 1289 CB LYS X 88 81.141 9.068 4.708 1.00 0.00 C ATOM 1290 CG LYS X 88 81.793 10.139 3.842 1.00 0.00 C ATOM 1291 CD LYS X 88 81.543 9.933 2.343 1.00 0.00 C ATOM 1292 CE LYS X 88 80.071 9.828 1.982 1.00 0.00 C ATOM 1293 NZ LYS X 88 79.295 11.046 2.352 1.00 0.00 N ATOM 0 H LYS X 88 82.713 7.525 5.908 1.00 0.00 H new ATOM 0 HA LYS X 88 81.603 10.184 6.469 1.00 0.00 H new ATOM 0 HB2 LYS X 88 81.422 8.087 4.324 1.00 0.00 H new ATOM 0 HB3 LYS X 88 80.058 9.150 4.611 1.00 0.00 H new ATOM 0 HG2 LYS X 88 81.413 11.117 4.137 1.00 0.00 H new ATOM 0 HG3 LYS X 88 82.867 10.145 4.028 1.00 0.00 H new ATOM 0 HD2 LYS X 88 81.986 10.763 1.792 1.00 0.00 H new ATOM 0 HD3 LYS X 88 82.054 9.026 2.019 1.00 0.00 H new ATOM 0 HE2 LYS X 88 79.976 9.655 0.910 1.00 0.00 H new ATOM 0 HE3 LYS X 88 79.640 8.962 2.484 1.00 0.00 H new ATOM 0 HZ1 LYS X 88 78.306 10.932 2.052 1.00 0.00 H new ATOM 0 HZ2 LYS X 88 79.331 11.181 3.383 1.00 0.00 H new ATOM 0 HZ3 LYS X 88 79.706 11.876 1.880 1.00 0.00 H new ATOM 1307 N PRO X 89 79.667 9.341 7.790 1.00 0.00 N ATOM 1308 CA PRO X 89 78.590 8.886 8.694 1.00 0.00 C ATOM 1309 C PRO X 89 77.652 7.873 8.066 1.00 0.00 C ATOM 1310 O PRO X 89 76.993 8.155 7.059 1.00 0.00 O ATOM 1311 CB PRO X 89 77.829 10.164 9.013 1.00 0.00 C ATOM 1312 CG PRO X 89 78.854 11.230 8.930 1.00 0.00 C ATOM 1313 CD PRO X 89 79.820 10.812 7.849 1.00 0.00 C ATOM 0 HA PRO X 89 79.005 8.375 9.563 1.00 0.00 H new ATOM 0 HB2 PRO X 89 77.020 10.333 8.302 1.00 0.00 H new ATOM 0 HB3 PRO X 89 77.378 10.122 10.005 1.00 0.00 H new ATOM 0 HG2 PRO X 89 78.397 12.190 8.691 1.00 0.00 H new ATOM 0 HG3 PRO X 89 79.367 11.350 9.884 1.00 0.00 H new ATOM 0 HD2 PRO X 89 79.578 11.278 6.894 1.00 0.00 H new ATOM 0 HD3 PRO X 89 80.843 11.099 8.094 1.00 0.00 H new ATOM 1321 N GLY X 90 77.612 6.709 8.663 1.00 0.00 N ATOM 1322 CA GLY X 90 76.777 5.655 8.195 1.00 0.00 C ATOM 1323 C GLY X 90 75.465 5.619 8.915 1.00 0.00 C ATOM 1324 O GLY X 90 74.779 6.639 9.023 1.00 0.00 O ATOM 0 H GLY X 90 78.163 6.474 9.489 1.00 0.00 H new ATOM 0 HA2 GLY X 90 76.601 5.779 7.126 1.00 0.00 H new ATOM 0 HA3 GLY X 90 77.289 4.702 8.326 1.00 0.00 H new ATOM 1328 N PHE X 91 75.135 4.474 9.455 1.00 0.00 N ATOM 1329 CA PHE X 91 73.842 4.278 10.073 1.00 0.00 C ATOM 1330 C PHE X 91 73.886 4.761 11.494 1.00 0.00 C ATOM 1331 O PHE X 91 74.974 4.978 12.057 1.00 0.00 O ATOM 1332 CB PHE X 91 73.477 2.785 10.102 1.00 0.00 C ATOM 1333 CG PHE X 91 73.731 2.056 8.826 1.00 0.00 C ATOM 1334 CD1 PHE X 91 73.222 2.516 7.634 1.00 0.00 C ATOM 1335 CD2 PHE X 91 74.488 0.904 8.827 1.00 0.00 C ATOM 1336 CE1 PHE X 91 73.472 1.845 6.460 1.00 0.00 C ATOM 1337 CE2 PHE X 91 74.733 0.228 7.664 1.00 0.00 C ATOM 1338 CZ PHE X 91 74.226 0.698 6.475 1.00 0.00 C ATOM 0 H PHE X 91 75.745 3.657 9.481 1.00 0.00 H new ATOM 0 HA PHE X 91 73.103 4.832 9.493 1.00 0.00 H new ATOM 0 HB2 PHE X 91 74.042 2.302 10.899 1.00 0.00 H new ATOM 0 HB3 PHE X 91 72.421 2.688 10.356 1.00 0.00 H new ATOM 0 HD1 PHE X 91 72.620 3.413 7.620 1.00 0.00 H new ATOM 0 HD2 PHE X 91 74.892 0.531 9.757 1.00 0.00 H new ATOM 0 HE1 PHE X 91 73.076 2.220 5.528 1.00 0.00 H new ATOM 0 HE2 PHE X 91 75.325 -0.675 7.679 1.00 0.00 H new ATOM 0 HZ PHE X 91 74.421 0.166 5.555 1.00 0.00 H new ATOM 1348 N LYS X 92 72.741 4.919 12.087 1.00 0.00 N ATOM 1349 CA LYS X 92 72.668 5.224 13.447 1.00 0.00 C ATOM 1350 C LYS X 92 72.702 3.908 14.203 1.00 0.00 C ATOM 1351 O LYS X 92 72.766 2.818 13.598 1.00 0.00 O ATOM 1352 CB LYS X 92 71.384 5.980 13.762 1.00 0.00 C ATOM 1353 CG LYS X 92 70.116 5.148 13.707 1.00 0.00 C ATOM 1354 CD LYS X 92 68.934 5.840 14.393 1.00 0.00 C ATOM 1355 CE LYS X 92 69.166 5.982 15.903 1.00 0.00 C ATOM 1356 NZ LYS X 92 67.998 6.538 16.605 1.00 0.00 N ATOM 0 H LYS X 92 71.838 4.835 11.621 1.00 0.00 H new ATOM 0 HA LYS X 92 73.501 5.863 13.739 1.00 0.00 H new ATOM 0 HB2 LYS X 92 71.472 6.415 14.758 1.00 0.00 H new ATOM 0 HB3 LYS X 92 71.287 6.808 13.060 1.00 0.00 H new ATOM 0 HG2 LYS X 92 69.862 4.947 12.666 1.00 0.00 H new ATOM 0 HG3 LYS X 92 70.296 4.184 14.184 1.00 0.00 H new ATOM 0 HD2 LYS X 92 68.782 6.826 13.953 1.00 0.00 H new ATOM 0 HD3 LYS X 92 68.023 5.268 14.216 1.00 0.00 H new ATOM 0 HE2 LYS X 92 69.407 5.006 16.323 1.00 0.00 H new ATOM 0 HE3 LYS X 92 70.029 6.625 16.075 1.00 0.00 H new ATOM 0 HZ1 LYS X 92 68.207 6.613 17.621 1.00 0.00 H new ATOM 0 HZ2 LYS X 92 67.782 7.482 16.225 1.00 0.00 H new ATOM 0 HZ3 LYS X 92 67.179 5.912 16.465 1.00 0.00 H new ATOM 1370 N GLN X 93 72.658 3.982 15.468 1.00 0.00 N ATOM 1371 CA GLN X 93 72.692 2.839 16.274 1.00 0.00 C ATOM 1372 C GLN X 93 71.310 2.429 16.663 1.00 0.00 C ATOM 1373 O GLN X 93 70.437 3.261 16.919 1.00 0.00 O ATOM 1374 CB GLN X 93 73.543 3.084 17.491 1.00 0.00 C ATOM 1375 CG GLN X 93 75.050 2.989 17.254 1.00 0.00 C ATOM 1376 CD GLN X 93 75.642 4.102 16.399 1.00 0.00 C ATOM 1377 OE1 GLN X 93 75.169 5.314 16.564 1.00 0.00 O flip ATOM 1378 NE2 GLN X 93 76.590 3.867 15.637 1.00 0.00 N flip ATOM 0 H GLN X 93 72.596 4.859 15.985 1.00 0.00 H new ATOM 0 HA GLN X 93 73.137 2.023 15.704 1.00 0.00 H new ATOM 0 HB2 GLN X 93 73.314 4.075 17.883 1.00 0.00 H new ATOM 0 HB3 GLN X 93 73.265 2.364 18.261 1.00 0.00 H new ATOM 0 HG2 GLN X 93 75.554 2.987 18.220 1.00 0.00 H new ATOM 0 HG3 GLN X 93 75.268 2.032 16.779 1.00 0.00 H new ATOM 0 HE21 GLN X 93 76.935 2.913 15.531 1.00 0.00 H new ATOM 0 HE22 GLN X 93 77.026 4.628 15.116 1.00 0.00 H new ATOM 1387 N GLY X 94 71.118 1.178 16.636 1.00 0.00 N ATOM 1388 CA GLY X 94 69.915 0.568 17.017 1.00 0.00 C ATOM 1389 C GLY X 94 69.800 -0.730 16.304 1.00 0.00 C ATOM 1390 O GLY X 94 70.857 -1.283 15.893 1.00 0.00 O ATOM 1391 OXT GLY X 94 68.687 -1.242 16.166 1.00 0.00 O ATOM 0 H GLY X 94 71.831 0.515 16.332 1.00 0.00 H new ATOM 0 HA2 GLY X 94 69.894 0.411 18.095 1.00 0.00 H new ATOM 0 HA3 GLY X 94 69.070 1.211 16.772 1.00 0.00 H new