USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 ASN : amide:sc= -2.11 K(o=-4,f=-7.7!) USER MOD Set 1.2: A 36 SER OG : rot -88:sc= -0.737 USER MOD Set 1.3: A 62 LYS NZ :NH3+ -116:sc= -1.18 (180deg=-4.98!) USER MOD Single : A 3 THR OG1 : rot 32:sc= 0.136 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 14 ASN : amide:sc= -0.0819 X(o=-0.082,f=0) USER MOD Single : A 16 HIS : no HD1:sc= 1.15 K(o=1.2,f=-4.5!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.299 F(o=-2.2!,f=-0.3) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.213 F(o=-0.8,f=-0.21) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0785 USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0167) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.71 F(o=-2.6!,f=-0.71) USER MOD Single : A 52 THR OG1 : rot -137:sc= -1.73! USER MOD Single : A 53 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0217) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -3! C(o=-3!,f=-5!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 163:sc= 2.94 (180deg=2.65) USER MOD Single : A 70 ASN : amide:sc= -0.0497 X(o=-0.05,f=-0.52) USER MOD Single : A 75 MET CE :methyl 154:sc= -0.273 (180deg=-1.18) USER MOD Single : A 78 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.0147) USER MOD Single : A 80 SER OG : rot 48:sc= 0.0674 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N THR A 3 -6.926 16.005 -1.679 1.00 0.00 N ATOM 26 CA THR A 3 -6.657 14.804 -0.906 1.00 0.00 C ATOM 27 C THR A 3 -7.675 13.697 -1.196 1.00 0.00 C ATOM 28 O THR A 3 -8.884 13.927 -1.216 1.00 0.00 O ATOM 29 CB THR A 3 -6.650 15.124 0.604 1.00 0.00 C ATOM 30 OG1 THR A 3 -5.719 16.183 0.867 1.00 0.00 O ATOM 31 CG2 THR A 3 -6.274 13.899 1.432 1.00 0.00 C ATOM 0 HA THR A 3 -5.673 14.442 -1.205 1.00 0.00 H new ATOM 0 HB THR A 3 -7.656 15.431 0.889 1.00 0.00 H new ATOM 0 HG1 THR A 3 -5.682 16.785 0.095 1.00 0.00 H new ATOM 0 HG21 THR A 3 -6.279 14.160 2.490 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.996 13.102 1.251 1.00 0.00 H new ATOM 0 HG23 THR A 3 -5.279 13.559 1.147 1.00 0.00 H new ATOM 39 N ARG A 4 -7.163 12.499 -1.440 1.00 0.00 N ATOM 40 CA ARG A 4 -7.959 11.300 -1.540 1.00 0.00 C ATOM 41 C ARG A 4 -7.990 10.627 -0.166 1.00 0.00 C ATOM 42 O ARG A 4 -6.948 10.493 0.485 1.00 0.00 O ATOM 43 CB ARG A 4 -7.324 10.394 -2.606 1.00 0.00 C ATOM 44 CG ARG A 4 -5.869 10.712 -2.898 1.00 0.00 C ATOM 45 CD ARG A 4 -4.998 10.360 -1.737 1.00 0.00 C ATOM 46 NE ARG A 4 -4.566 8.991 -1.802 1.00 0.00 N ATOM 47 CZ ARG A 4 -4.454 8.206 -0.742 1.00 0.00 C ATOM 48 NH1 ARG A 4 -5.181 8.449 0.342 1.00 0.00 N ATOM 49 NH2 ARG A 4 -3.725 7.112 -0.807 1.00 0.00 N ATOM 0 H ARG A 4 -6.165 12.338 -1.575 1.00 0.00 H new ATOM 0 HA ARG A 4 -8.985 11.516 -1.837 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.400 9.357 -2.279 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.897 10.480 -3.529 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.543 10.162 -3.781 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -5.764 11.773 -3.127 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -4.129 11.017 -1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -5.542 10.528 -0.808 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.333 8.602 -2.716 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -5.825 9.240 0.357 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.096 7.845 1.159 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.246 6.869 -1.674 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.639 6.507 0.010 1.00 0.00 H new ATOM 63 N ASN A 5 -9.161 10.209 0.289 1.00 0.00 N ATOM 64 CA ASN A 5 -9.324 9.805 1.672 1.00 0.00 C ATOM 65 C ASN A 5 -9.669 8.332 1.772 1.00 0.00 C ATOM 66 O ASN A 5 -10.747 7.903 1.357 1.00 0.00 O ATOM 67 CB ASN A 5 -10.427 10.623 2.335 1.00 0.00 C ATOM 68 CG ASN A 5 -10.094 12.092 2.462 1.00 0.00 C ATOM 69 OD1 ASN A 5 -9.421 12.506 3.401 1.00 0.00 O ATOM 70 ND2 ASN A 5 -10.593 12.894 1.537 1.00 0.00 N ATOM 0 H ASN A 5 -10.007 10.142 -0.277 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.378 9.982 2.183 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -11.345 10.515 1.758 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -10.624 10.216 3.327 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.424 13.899 1.588 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -11.147 12.508 0.773 1.00 0.00 H new ATOM 77 N PHE A 6 -8.763 7.555 2.339 1.00 0.00 N ATOM 78 CA PHE A 6 -8.947 6.120 2.406 1.00 0.00 C ATOM 79 C PHE A 6 -9.018 5.678 3.848 1.00 0.00 C ATOM 80 O PHE A 6 -8.411 6.290 4.724 1.00 0.00 O ATOM 81 CB PHE A 6 -7.777 5.351 1.765 1.00 0.00 C ATOM 82 CG PHE A 6 -7.351 5.757 0.379 1.00 0.00 C ATOM 83 CD1 PHE A 6 -7.839 6.888 -0.241 1.00 0.00 C ATOM 84 CD2 PHE A 6 -6.437 4.978 -0.296 1.00 0.00 C ATOM 85 CE1 PHE A 6 -7.425 7.239 -1.504 1.00 0.00 C ATOM 86 CE2 PHE A 6 -6.018 5.315 -1.567 1.00 0.00 C ATOM 87 CZ PHE A 6 -6.515 6.449 -2.173 1.00 0.00 C ATOM 0 H PHE A 6 -7.897 7.894 2.757 1.00 0.00 H new ATOM 0 HA PHE A 6 -9.868 5.902 1.866 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -6.913 5.445 2.423 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -8.044 4.295 1.738 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -8.558 7.508 0.274 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.043 4.091 0.176 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -7.812 8.132 -1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -5.303 4.693 -2.085 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.193 6.717 -3.168 1.00 0.00 H new ATOM 97 N VAL A 7 -9.778 4.641 4.108 1.00 0.00 N ATOM 98 CA VAL A 7 -9.646 3.858 5.312 1.00 0.00 C ATOM 99 C VAL A 7 -9.166 2.488 4.849 1.00 0.00 C ATOM 100 O VAL A 7 -8.983 2.293 3.646 1.00 0.00 O ATOM 101 CB VAL A 7 -11.023 3.750 6.017 1.00 0.00 C ATOM 102 CG1 VAL A 7 -10.891 3.314 7.464 1.00 0.00 C ATOM 103 CG2 VAL A 7 -11.773 5.070 5.924 1.00 0.00 C ATOM 0 H VAL A 7 -10.514 4.314 3.482 1.00 0.00 H new ATOM 0 HA VAL A 7 -8.953 4.302 6.026 1.00 0.00 H new ATOM 0 HB VAL A 7 -11.594 2.980 5.498 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -11.880 3.252 7.917 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.410 2.337 7.507 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -10.287 4.040 8.009 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -12.737 4.977 6.424 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -11.189 5.855 6.405 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -11.931 5.326 4.876 1.00 0.00 H new ATOM 113 N LEU A 8 -8.961 1.543 5.737 1.00 0.00 N ATOM 114 CA LEU A 8 -8.468 0.247 5.319 1.00 0.00 C ATOM 115 C LEU A 8 -9.621 -0.738 5.408 1.00 0.00 C ATOM 116 O LEU A 8 -10.496 -0.567 6.252 1.00 0.00 O ATOM 117 CB LEU A 8 -7.330 -0.205 6.235 1.00 0.00 C ATOM 118 CG LEU A 8 -6.541 -1.419 5.754 1.00 0.00 C ATOM 119 CD1 LEU A 8 -5.567 -1.020 4.660 1.00 0.00 C ATOM 120 CD2 LEU A 8 -5.807 -2.059 6.916 1.00 0.00 C ATOM 0 H LEU A 8 -9.124 1.642 6.739 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.085 0.300 4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.639 0.628 6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.745 -0.430 7.217 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.238 -2.148 5.340 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.013 -1.898 4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.117 -0.599 3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.871 -0.276 5.046 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.247 -2.924 6.561 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.118 -1.336 7.354 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.527 -2.377 7.670 1.00 0.00 H new ATOM 132 N ARG A 9 -9.646 -1.760 4.566 1.00 0.00 N ATOM 133 CA ARG A 9 -10.666 -2.794 4.663 1.00 0.00 C ATOM 134 C ARG A 9 -9.980 -4.072 5.120 1.00 0.00 C ATOM 135 O ARG A 9 -8.762 -4.181 5.019 1.00 0.00 O ATOM 136 CB ARG A 9 -11.343 -3.054 3.305 1.00 0.00 C ATOM 137 CG ARG A 9 -12.004 -1.839 2.677 1.00 0.00 C ATOM 138 CD ARG A 9 -13.284 -1.450 3.398 1.00 0.00 C ATOM 139 NE ARG A 9 -14.372 -2.397 3.147 1.00 0.00 N ATOM 140 CZ ARG A 9 -15.594 -2.287 3.676 1.00 0.00 C ATOM 141 NH1 ARG A 9 -15.896 -1.265 4.466 1.00 0.00 N ATOM 142 NH2 ARG A 9 -16.526 -3.194 3.402 1.00 0.00 N ATOM 0 H ARG A 9 -8.974 -1.896 3.810 1.00 0.00 H new ATOM 0 HA ARG A 9 -11.436 -2.471 5.364 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -10.597 -3.442 2.612 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -12.095 -3.833 3.433 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -11.309 -0.999 2.694 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.227 -2.048 1.631 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.093 -1.395 4.470 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.591 -0.454 3.078 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.186 -3.188 2.531 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -15.193 -0.556 4.674 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -16.831 -1.188 4.866 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.310 -3.978 2.786 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -17.458 -3.107 3.808 1.00 0.00 H new ATOM 156 N ASP A 10 -10.738 -5.039 5.617 1.00 0.00 N ATOM 157 CA ASP A 10 -10.173 -6.341 5.964 1.00 0.00 C ATOM 158 C ASP A 10 -10.329 -7.257 4.748 1.00 0.00 C ATOM 159 O ASP A 10 -10.624 -6.756 3.661 1.00 0.00 O ATOM 160 CB ASP A 10 -10.903 -6.908 7.187 1.00 0.00 C ATOM 161 CG ASP A 10 -10.122 -7.996 7.889 1.00 0.00 C ATOM 162 OD1 ASP A 10 -10.269 -9.168 7.505 1.00 0.00 O ATOM 163 OD2 ASP A 10 -9.369 -7.673 8.831 1.00 0.00 O ATOM 0 H ASP A 10 -11.739 -4.951 5.789 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.117 -6.256 6.220 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.103 -6.100 7.891 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.869 -7.305 6.875 1.00 0.00 H new ATOM 168 N GLU A 11 -10.223 -8.578 4.889 1.00 0.00 N ATOM 169 CA GLU A 11 -10.343 -9.446 3.714 1.00 0.00 C ATOM 170 C GLU A 11 -11.802 -9.865 3.584 1.00 0.00 C ATOM 171 O GLU A 11 -12.230 -10.469 2.604 1.00 0.00 O ATOM 172 CB GLU A 11 -9.470 -10.683 3.868 1.00 0.00 C ATOM 173 CG GLU A 11 -8.050 -10.357 4.263 1.00 0.00 C ATOM 174 CD GLU A 11 -7.204 -11.599 4.449 1.00 0.00 C ATOM 175 OE1 GLU A 11 -7.085 -12.395 3.492 1.00 0.00 O ATOM 176 OE2 GLU A 11 -6.656 -11.791 5.555 1.00 0.00 O ATOM 0 H GLU A 11 -10.060 -9.060 5.773 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.015 -8.907 2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.909 -11.339 4.619 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.462 -11.235 2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.599 -9.724 3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.056 -9.782 5.189 1.00 0.00 H new ATOM 183 N ASP A 12 -12.548 -9.477 4.603 1.00 0.00 N ATOM 184 CA ASP A 12 -13.920 -9.924 4.803 1.00 0.00 C ATOM 185 C ASP A 12 -14.893 -8.781 4.573 1.00 0.00 C ATOM 186 O ASP A 12 -16.074 -8.997 4.311 1.00 0.00 O ATOM 187 CB ASP A 12 -14.088 -10.483 6.221 1.00 0.00 C ATOM 188 CG ASP A 12 -15.528 -10.824 6.567 1.00 0.00 C ATOM 189 OD1 ASP A 12 -16.021 -11.882 6.120 1.00 0.00 O ATOM 190 OD2 ASP A 12 -16.171 -10.038 7.300 1.00 0.00 O ATOM 0 H ASP A 12 -12.217 -8.836 5.324 1.00 0.00 H new ATOM 0 HA ASP A 12 -14.137 -10.712 4.082 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.475 -11.378 6.326 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -13.712 -9.753 6.938 1.00 0.00 H new ATOM 195 N GLY A 13 -14.394 -7.553 4.652 1.00 0.00 N ATOM 196 CA GLY A 13 -15.276 -6.419 4.520 1.00 0.00 C ATOM 197 C GLY A 13 -15.365 -5.602 5.788 1.00 0.00 C ATOM 198 O GLY A 13 -16.426 -5.085 6.124 1.00 0.00 O ATOM 0 H GLY A 13 -13.411 -7.328 4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -14.926 -5.784 3.707 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -16.272 -6.768 4.246 1.00 0.00 H new ATOM 202 N ASN A 14 -14.252 -5.481 6.496 1.00 0.00 N ATOM 203 CA ASN A 14 -14.235 -4.713 7.731 1.00 0.00 C ATOM 204 C ASN A 14 -13.403 -3.483 7.474 1.00 0.00 C ATOM 205 O ASN A 14 -12.979 -3.262 6.339 1.00 0.00 O ATOM 206 CB ASN A 14 -13.635 -5.484 8.908 1.00 0.00 C ATOM 207 CG ASN A 14 -14.464 -6.681 9.320 1.00 0.00 C ATOM 208 OD1 ASN A 14 -15.454 -6.543 10.035 1.00 0.00 O ATOM 209 ND2 ASN A 14 -14.048 -7.866 8.899 1.00 0.00 N ATOM 0 H ASN A 14 -13.358 -5.900 6.240 1.00 0.00 H new ATOM 0 HA ASN A 14 -15.262 -4.475 8.007 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.632 -5.819 8.642 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -13.531 -4.812 9.760 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.555 -8.709 9.167 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.221 -7.935 8.306 1.00 0.00 H new ATOM 216 N GLU A 15 -13.131 -2.703 8.499 1.00 0.00 N ATOM 217 CA GLU A 15 -12.360 -1.492 8.324 1.00 0.00 C ATOM 218 C GLU A 15 -11.319 -1.346 9.415 1.00 0.00 C ATOM 219 O GLU A 15 -11.528 -1.756 10.555 1.00 0.00 O ATOM 220 CB GLU A 15 -13.283 -0.279 8.265 1.00 0.00 C ATOM 221 CG GLU A 15 -14.068 -0.223 6.963 1.00 0.00 C ATOM 222 CD GLU A 15 -14.923 1.015 6.802 1.00 0.00 C ATOM 223 OE1 GLU A 15 -15.308 1.623 7.819 1.00 0.00 O ATOM 224 OE2 GLU A 15 -15.222 1.371 5.640 1.00 0.00 O ATOM 0 H GLU A 15 -13.431 -2.885 9.457 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.827 -1.556 7.375 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.976 -0.310 9.105 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.693 0.631 8.372 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.369 -0.278 6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.708 -1.103 6.901 1.00 0.00 H new ATOM 231 N HIS A 16 -10.188 -0.788 9.035 1.00 0.00 N ATOM 232 CA HIS A 16 -9.041 -0.662 9.918 1.00 0.00 C ATOM 233 C HIS A 16 -8.485 0.746 9.855 1.00 0.00 C ATOM 234 O HIS A 16 -9.173 1.662 9.407 1.00 0.00 O ATOM 235 CB HIS A 16 -7.944 -1.653 9.519 1.00 0.00 C ATOM 236 CG HIS A 16 -8.255 -3.094 9.786 1.00 0.00 C ATOM 237 ND1 HIS A 16 -7.807 -3.763 10.900 1.00 0.00 N ATOM 238 CD2 HIS A 16 -8.941 -4.003 9.058 1.00 0.00 C ATOM 239 CE1 HIS A 16 -8.203 -5.018 10.847 1.00 0.00 C ATOM 240 NE2 HIS A 16 -8.894 -5.196 9.738 1.00 0.00 N ATOM 0 H HIS A 16 -10.035 -0.407 8.101 1.00 0.00 H new ATOM 0 HA HIS A 16 -9.369 -0.880 10.934 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.739 -1.534 8.455 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.030 -1.391 10.051 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -9.435 -3.824 8.115 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -7.996 -5.775 11.589 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -9.321 -6.072 9.436 1.00 0.00 H new ATOM 249 N GLY A 17 -7.275 0.891 10.393 1.00 0.00 N ATOM 250 CA GLY A 17 -6.470 2.100 10.243 1.00 0.00 C ATOM 251 C GLY A 17 -6.848 2.956 9.049 1.00 0.00 C ATOM 252 O GLY A 17 -6.999 2.462 7.933 1.00 0.00 O ATOM 0 H GLY A 17 -6.823 0.166 10.950 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.563 2.699 11.149 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.421 1.816 10.154 1.00 0.00 H new ATOM 256 N VAL A 18 -7.034 4.235 9.299 1.00 0.00 N ATOM 257 CA VAL A 18 -7.343 5.190 8.246 1.00 0.00 C ATOM 258 C VAL A 18 -6.048 5.680 7.613 1.00 0.00 C ATOM 259 O VAL A 18 -5.117 6.069 8.324 1.00 0.00 O ATOM 260 CB VAL A 18 -8.146 6.393 8.797 1.00 0.00 C ATOM 261 CG1 VAL A 18 -8.452 7.402 7.700 1.00 0.00 C ATOM 262 CG2 VAL A 18 -9.433 5.919 9.460 1.00 0.00 C ATOM 0 H VAL A 18 -6.977 4.644 10.232 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.957 4.691 7.497 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.530 6.890 9.547 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.017 8.235 8.119 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.519 7.773 7.276 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.040 6.922 6.918 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.984 6.779 9.841 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.045 5.390 8.729 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.192 5.248 10.284 1.00 0.00 H new ATOM 272 N PHE A 19 -5.981 5.674 6.287 1.00 0.00 N ATOM 273 CA PHE A 19 -4.773 6.048 5.581 1.00 0.00 C ATOM 274 C PHE A 19 -5.136 7.034 4.503 1.00 0.00 C ATOM 275 O PHE A 19 -5.969 6.735 3.656 1.00 0.00 O ATOM 276 CB PHE A 19 -4.131 4.833 4.920 1.00 0.00 C ATOM 277 CG PHE A 19 -3.811 3.716 5.856 1.00 0.00 C ATOM 278 CD1 PHE A 19 -2.628 3.723 6.557 1.00 0.00 C ATOM 279 CD2 PHE A 19 -4.687 2.660 6.030 1.00 0.00 C ATOM 280 CE1 PHE A 19 -2.316 2.693 7.419 1.00 0.00 C ATOM 281 CE2 PHE A 19 -4.384 1.630 6.892 1.00 0.00 C ATOM 282 CZ PHE A 19 -3.198 1.645 7.590 1.00 0.00 C ATOM 0 H PHE A 19 -6.758 5.411 5.680 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.069 6.478 6.293 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.801 4.460 4.145 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.213 5.148 4.423 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.937 4.543 6.431 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.619 2.643 5.484 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.382 2.706 7.960 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.076 0.811 7.020 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.958 0.840 8.269 1.00 0.00 H new ATOM 292 N THR A 20 -4.514 8.186 4.462 1.00 0.00 N ATOM 293 CA THR A 20 -4.892 9.186 3.496 1.00 0.00 C ATOM 294 C THR A 20 -3.616 9.806 2.978 1.00 0.00 C ATOM 295 O THR A 20 -2.653 9.999 3.724 1.00 0.00 O ATOM 296 CB THR A 20 -5.802 10.275 4.096 1.00 0.00 C ATOM 297 OG1 THR A 20 -5.205 10.842 5.270 1.00 0.00 O ATOM 298 CG2 THR A 20 -7.149 9.688 4.447 1.00 0.00 C ATOM 0 H THR A 20 -3.749 8.453 5.082 1.00 0.00 H new ATOM 0 HA THR A 20 -5.467 8.715 2.698 1.00 0.00 H new ATOM 0 HB THR A 20 -5.932 11.061 3.353 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.796 11.533 5.636 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.785 10.465 4.870 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.616 9.286 3.548 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.019 8.889 5.176 1.00 0.00 H new ATOM 306 N GLY A 21 -3.591 10.075 1.705 1.00 0.00 N ATOM 307 CA GLY A 21 -2.367 10.492 1.072 1.00 0.00 C ATOM 308 C GLY A 21 -2.612 11.570 0.056 1.00 0.00 C ATOM 309 O GLY A 21 -3.675 12.190 0.045 1.00 0.00 O ATOM 0 H GLY A 21 -4.398 10.015 1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.671 10.855 1.828 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.896 9.636 0.589 1.00 0.00 H new ATOM 313 N LYS A 22 -1.634 11.803 -0.788 1.00 0.00 N ATOM 314 CA LYS A 22 -1.853 12.583 -1.988 1.00 0.00 C ATOM 315 C LYS A 22 -1.986 11.625 -3.164 1.00 0.00 C ATOM 316 O LYS A 22 -2.366 12.012 -4.268 1.00 0.00 O ATOM 317 CB LYS A 22 -0.714 13.583 -2.204 1.00 0.00 C ATOM 318 CG LYS A 22 0.607 12.962 -2.604 1.00 0.00 C ATOM 319 CD LYS A 22 0.871 13.183 -4.077 1.00 0.00 C ATOM 320 CE LYS A 22 2.330 12.945 -4.408 1.00 0.00 C ATOM 321 NZ LYS A 22 2.641 13.251 -5.829 1.00 0.00 N ATOM 0 H LYS A 22 -0.679 11.465 -0.668 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.769 13.166 -1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.014 14.293 -2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.569 14.152 -1.285 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.414 13.397 -2.014 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.594 11.894 -2.387 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.246 12.512 -4.667 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.593 14.201 -4.351 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.953 13.562 -3.761 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.584 11.906 -4.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.650 13.074 -6.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.067 12.644 -6.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.425 14.249 -6.025 1.00 0.00 H new ATOM 335 N GLN A 23 -1.696 10.351 -2.892 1.00 0.00 N ATOM 336 CA GLN A 23 -1.756 9.311 -3.907 1.00 0.00 C ATOM 337 C GLN A 23 -1.939 7.927 -3.286 1.00 0.00 C ATOM 338 O GLN A 23 -1.345 7.633 -2.248 1.00 0.00 O ATOM 339 CB GLN A 23 -0.482 9.328 -4.748 1.00 0.00 C ATOM 340 CG GLN A 23 -0.335 8.131 -5.671 1.00 0.00 C ATOM 341 CD GLN A 23 1.113 7.793 -5.972 1.00 0.00 C ATOM 342 OE1 GLN A 23 1.997 8.001 -5.000 1.00 0.00 O flip ATOM 343 NE2 GLN A 23 1.434 7.318 -7.055 1.00 0.00 N flip ATOM 0 H GLN A 23 -1.416 10.019 -1.969 1.00 0.00 H new ATOM 0 HA GLN A 23 -2.620 9.516 -4.539 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -0.466 10.239 -5.346 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.380 9.368 -4.082 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.818 7.266 -5.216 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.858 8.333 -6.606 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.729 7.172 -7.777 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.407 7.068 -7.234 1.00 0.00 H new ATOM 352 N PRO A 24 -2.783 7.083 -3.899 1.00 0.00 N ATOM 353 CA PRO A 24 -3.121 5.738 -3.401 1.00 0.00 C ATOM 354 C PRO A 24 -1.927 4.962 -2.838 1.00 0.00 C ATOM 355 O PRO A 24 -1.989 4.446 -1.719 1.00 0.00 O ATOM 356 CB PRO A 24 -3.667 5.045 -4.642 1.00 0.00 C ATOM 357 CG PRO A 24 -4.265 6.136 -5.458 1.00 0.00 C ATOM 358 CD PRO A 24 -3.491 7.391 -5.153 1.00 0.00 C ATOM 0 HA PRO A 24 -3.816 5.790 -2.563 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.876 4.532 -5.188 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.412 4.294 -4.380 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -4.209 5.898 -6.520 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.320 6.265 -5.215 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.794 7.634 -5.955 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.153 8.249 -5.036 1.00 0.00 H new ATOM 366 N ARG A 25 -0.837 4.954 -3.599 1.00 0.00 N ATOM 367 CA ARG A 25 0.364 4.174 -3.302 1.00 0.00 C ATOM 368 C ARG A 25 0.913 4.416 -1.886 1.00 0.00 C ATOM 369 O ARG A 25 1.602 3.568 -1.343 1.00 0.00 O ATOM 370 CB ARG A 25 1.423 4.519 -4.358 1.00 0.00 C ATOM 371 CG ARG A 25 2.755 3.815 -4.178 1.00 0.00 C ATOM 372 CD ARG A 25 3.697 4.126 -5.332 1.00 0.00 C ATOM 373 NE ARG A 25 4.963 3.403 -5.218 1.00 0.00 N ATOM 374 CZ ARG A 25 6.155 3.933 -5.485 1.00 0.00 C ATOM 375 NH1 ARG A 25 6.254 5.185 -5.913 1.00 0.00 N ATOM 376 NH2 ARG A 25 7.252 3.200 -5.337 1.00 0.00 N ATOM 0 H ARG A 25 -0.760 5.500 -4.457 1.00 0.00 H new ATOM 0 HA ARG A 25 0.103 3.116 -3.336 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.027 4.271 -5.343 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.592 5.596 -4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.211 4.126 -3.238 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.596 2.739 -4.114 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.214 3.865 -6.274 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.893 5.198 -5.361 1.00 0.00 H new ATOM 0 HE ARG A 25 4.931 2.430 -4.914 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.413 5.749 -6.040 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.171 5.584 -6.115 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.180 2.233 -5.019 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.166 3.604 -5.541 1.00 0.00 H new ATOM 390 N GLN A 26 0.589 5.556 -1.293 1.00 0.00 N ATOM 391 CA GLN A 26 1.093 5.913 0.038 1.00 0.00 C ATOM 392 C GLN A 26 0.227 5.287 1.128 1.00 0.00 C ATOM 393 O GLN A 26 0.721 4.674 2.063 1.00 0.00 O ATOM 394 CB GLN A 26 1.098 7.440 0.172 1.00 0.00 C ATOM 395 CG GLN A 26 2.202 8.104 -0.634 1.00 0.00 C ATOM 396 CD GLN A 26 3.584 7.746 -0.145 1.00 0.00 C ATOM 397 OE1 GLN A 26 4.120 6.657 -0.659 1.00 0.00 O flip ATOM 398 NE2 GLN A 26 4.158 8.435 0.695 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.023 6.257 -1.710 1.00 0.00 H new ATOM 0 HA GLN A 26 2.107 5.530 0.156 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.134 7.831 -0.153 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.212 7.706 1.223 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.106 7.813 -1.680 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.076 9.186 -0.591 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.705 9.270 1.066 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.088 8.172 1.022 1.00 0.00 H new ATOM 407 N ALA A 27 -1.067 5.498 0.992 1.00 0.00 N ATOM 408 CA ALA A 27 -2.049 4.888 1.886 1.00 0.00 C ATOM 409 C ALA A 27 -1.960 3.373 1.848 1.00 0.00 C ATOM 410 O ALA A 27 -2.196 2.702 2.846 1.00 0.00 O ATOM 411 CB ALA A 27 -3.443 5.334 1.531 1.00 0.00 C ATOM 0 H ALA A 27 -1.472 6.091 0.267 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.822 5.218 2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.158 4.868 2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.512 6.418 1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.669 5.039 0.506 1.00 0.00 H new ATOM 417 N ALA A 28 -1.595 2.852 0.691 1.00 0.00 N ATOM 418 CA ALA A 28 -1.441 1.419 0.508 1.00 0.00 C ATOM 419 C ALA A 28 -0.072 0.985 0.979 1.00 0.00 C ATOM 420 O ALA A 28 0.137 -0.158 1.374 1.00 0.00 O ATOM 421 CB ALA A 28 -1.642 1.068 -0.949 1.00 0.00 C ATOM 0 H ALA A 28 -1.398 3.405 -0.143 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.191 0.894 1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.526 -0.007 -1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.643 1.367 -1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.902 1.591 -1.555 1.00 0.00 H new ATOM 427 N LEU A 29 0.853 1.915 0.933 1.00 0.00 N ATOM 428 CA LEU A 29 2.165 1.715 1.493 1.00 0.00 C ATOM 429 C LEU A 29 2.023 1.563 3.009 1.00 0.00 C ATOM 430 O LEU A 29 2.353 0.528 3.584 1.00 0.00 O ATOM 431 CB LEU A 29 3.040 2.921 1.120 1.00 0.00 C ATOM 432 CG LEU A 29 4.515 2.844 1.482 1.00 0.00 C ATOM 433 CD1 LEU A 29 5.348 3.280 0.291 1.00 0.00 C ATOM 434 CD2 LEU A 29 4.812 3.730 2.679 1.00 0.00 C ATOM 0 H LEU A 29 0.715 2.831 0.506 1.00 0.00 H new ATOM 0 HA LEU A 29 2.639 0.815 1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.963 3.075 0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.620 3.805 1.599 1.00 0.00 H new ATOM 0 HG LEU A 29 4.766 1.816 1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.406 3.226 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.146 2.623 -0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.092 4.305 0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.872 3.664 2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.559 4.763 2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.219 3.400 3.532 1.00 0.00 H new ATOM 446 N LYS A 30 1.591 2.647 3.644 1.00 0.00 N ATOM 447 CA LYS A 30 1.172 2.622 5.054 1.00 0.00 C ATOM 448 C LYS A 30 0.295 1.405 5.384 1.00 0.00 C ATOM 449 O LYS A 30 0.330 0.890 6.502 1.00 0.00 O ATOM 450 CB LYS A 30 0.435 3.913 5.414 1.00 0.00 C ATOM 451 CG LYS A 30 1.258 5.174 5.201 1.00 0.00 C ATOM 452 CD LYS A 30 2.530 5.177 6.039 1.00 0.00 C ATOM 453 CE LYS A 30 3.344 6.436 5.789 1.00 0.00 C ATOM 454 NZ LYS A 30 4.615 6.459 6.562 1.00 0.00 N ATOM 0 H LYS A 30 1.519 3.565 3.206 1.00 0.00 H new ATOM 0 HA LYS A 30 2.078 2.541 5.654 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.474 3.979 4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.127 3.864 6.458 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.519 5.262 4.146 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.656 6.046 5.454 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.273 5.110 7.096 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.129 4.299 5.800 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.569 6.514 4.725 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.747 7.309 6.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.131 7.338 6.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.404 6.413 7.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.200 5.642 6.293 1.00 0.00 H new ATOM 468 N ALA A 31 -0.470 0.952 4.404 1.00 0.00 N ATOM 469 CA ALA A 31 -1.303 -0.237 4.565 1.00 0.00 C ATOM 470 C ALA A 31 -0.432 -1.495 4.601 1.00 0.00 C ATOM 471 O ALA A 31 -0.668 -2.411 5.389 1.00 0.00 O ATOM 472 CB ALA A 31 -2.330 -0.339 3.449 1.00 0.00 C ATOM 0 H ALA A 31 -0.534 1.389 3.484 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.837 -0.151 5.511 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.937 -1.233 3.593 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.972 0.542 3.464 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.819 -0.399 2.488 1.00 0.00 H new ATOM 478 N ALA A 32 0.591 -1.517 3.760 1.00 0.00 N ATOM 479 CA ALA A 32 1.517 -2.639 3.689 1.00 0.00 C ATOM 480 C ALA A 32 2.399 -2.704 4.929 1.00 0.00 C ATOM 481 O ALA A 32 2.958 -3.749 5.264 1.00 0.00 O ATOM 482 CB ALA A 32 2.377 -2.525 2.440 1.00 0.00 C ATOM 0 H ALA A 32 0.803 -0.761 3.109 1.00 0.00 H new ATOM 0 HA ALA A 32 0.934 -3.559 3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.067 -3.368 2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.738 -2.531 1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.943 -1.594 2.472 1.00 0.00 H new ATOM 488 N ASN A 33 2.520 -1.580 5.612 1.00 0.00 N ATOM 489 CA ASN A 33 3.318 -1.499 6.837 1.00 0.00 C ATOM 490 C ASN A 33 2.692 -2.290 7.978 1.00 0.00 C ATOM 491 O ASN A 33 3.264 -2.385 9.060 1.00 0.00 O ATOM 492 CB ASN A 33 3.485 -0.051 7.283 1.00 0.00 C ATOM 493 CG ASN A 33 4.582 0.670 6.537 1.00 0.00 C ATOM 494 OD1 ASN A 33 5.553 0.057 6.099 1.00 0.00 O ATOM 495 ND2 ASN A 33 4.444 1.979 6.413 1.00 0.00 N ATOM 0 H ASN A 33 2.076 -0.702 5.343 1.00 0.00 H new ATOM 0 HA ASN A 33 4.291 -1.930 6.601 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.544 0.480 7.138 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.702 -0.028 8.351 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.162 2.525 5.937 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.619 2.443 6.794 1.00 0.00 H new ATOM 502 N ARG A 34 1.527 -2.869 7.729 1.00 0.00 N ATOM 503 CA ARG A 34 0.790 -3.562 8.765 1.00 0.00 C ATOM 504 C ARG A 34 1.027 -5.052 8.622 1.00 0.00 C ATOM 505 O ARG A 34 0.702 -5.838 9.512 1.00 0.00 O ATOM 506 CB ARG A 34 -0.701 -3.236 8.648 1.00 0.00 C ATOM 507 CG ARG A 34 -0.962 -1.751 8.450 1.00 0.00 C ATOM 508 CD ARG A 34 -0.427 -0.931 9.613 1.00 0.00 C ATOM 509 NE ARG A 34 -0.224 0.469 9.249 1.00 0.00 N ATOM 510 CZ ARG A 34 -0.398 1.490 10.086 1.00 0.00 C ATOM 511 NH1 ARG A 34 -0.829 1.273 11.320 1.00 0.00 N ATOM 512 NH2 ARG A 34 -0.139 2.726 9.681 1.00 0.00 N ATOM 0 H ARG A 34 1.074 -2.870 6.815 1.00 0.00 H new ATOM 0 HA ARG A 34 1.132 -3.239 9.748 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.126 -3.790 7.811 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.215 -3.574 9.548 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -0.494 -1.419 7.523 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.033 -1.580 8.345 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.124 -0.991 10.449 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.517 -1.357 9.953 1.00 0.00 H new ATOM 0 HE ARG A 34 0.069 0.677 8.295 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.028 0.322 11.631 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.961 2.057 11.959 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.192 2.892 8.731 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.271 3.510 10.320 1.00 0.00 H new ATOM 526 N GLY A 35 1.589 -5.429 7.479 1.00 0.00 N ATOM 527 CA GLY A 35 1.930 -6.807 7.242 1.00 0.00 C ATOM 528 C GLY A 35 1.787 -7.178 5.788 1.00 0.00 C ATOM 529 O GLY A 35 0.762 -7.714 5.376 1.00 0.00 O ATOM 0 H GLY A 35 1.813 -4.795 6.712 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.956 -6.988 7.564 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.288 -7.449 7.846 1.00 0.00 H new ATOM 533 N SER A 36 2.811 -6.872 5.009 1.00 0.00 N ATOM 534 CA SER A 36 2.769 -7.100 3.578 1.00 0.00 C ATOM 535 C SER A 36 3.510 -8.377 3.180 1.00 0.00 C ATOM 536 O SER A 36 2.984 -9.202 2.436 1.00 0.00 O ATOM 537 CB SER A 36 3.355 -5.887 2.860 1.00 0.00 C ATOM 538 OG SER A 36 4.593 -5.491 3.436 1.00 0.00 O ATOM 0 H SER A 36 3.683 -6.464 5.346 1.00 0.00 H new ATOM 0 HA SER A 36 1.729 -7.235 3.281 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.501 -6.122 1.806 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.649 -5.058 2.907 1.00 0.00 H new ATOM 0 HG SER A 36 4.427 -4.858 4.165 1.00 0.00 H new ATOM 544 N GLY A 37 4.735 -8.537 3.662 1.00 0.00 N ATOM 545 CA GLY A 37 5.484 -9.738 3.347 1.00 0.00 C ATOM 546 C GLY A 37 6.593 -9.495 2.350 1.00 0.00 C ATOM 547 O GLY A 37 7.433 -8.612 2.528 1.00 0.00 O ATOM 0 H GLY A 37 5.219 -7.866 4.258 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.910 -10.146 4.264 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.803 -10.491 2.949 1.00 0.00 H new ATOM 551 N THR A 38 6.580 -10.285 1.299 1.00 0.00 N ATOM 552 CA THR A 38 7.600 -10.220 0.260 1.00 0.00 C ATOM 553 C THR A 38 6.979 -10.511 -1.104 1.00 0.00 C ATOM 554 O THR A 38 5.898 -11.088 -1.192 1.00 0.00 O ATOM 555 CB THR A 38 8.750 -11.213 0.542 1.00 0.00 C ATOM 556 OG1 THR A 38 9.752 -11.118 -0.476 1.00 0.00 O ATOM 557 CG2 THR A 38 8.239 -12.640 0.611 1.00 0.00 C ATOM 0 H THR A 38 5.864 -10.993 1.135 1.00 0.00 H new ATOM 0 HA THR A 38 8.016 -9.213 0.258 1.00 0.00 H new ATOM 0 HB THR A 38 9.183 -10.950 1.507 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.475 -11.751 -0.284 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.071 -13.315 0.811 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.503 -12.725 1.411 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.775 -12.907 -0.339 1.00 0.00 H new ATOM 565 N LYS A 39 7.686 -10.103 -2.156 1.00 0.00 N ATOM 566 CA LYS A 39 7.165 -10.104 -3.525 1.00 0.00 C ATOM 567 C LYS A 39 6.811 -11.506 -4.017 1.00 0.00 C ATOM 568 O LYS A 39 6.034 -11.676 -4.959 1.00 0.00 O ATOM 569 CB LYS A 39 8.193 -9.455 -4.449 1.00 0.00 C ATOM 570 CG LYS A 39 7.810 -9.513 -5.907 1.00 0.00 C ATOM 571 CD LYS A 39 8.852 -8.840 -6.781 1.00 0.00 C ATOM 572 CE LYS A 39 8.483 -8.899 -8.253 1.00 0.00 C ATOM 573 NZ LYS A 39 7.316 -8.037 -8.581 1.00 0.00 N ATOM 0 H LYS A 39 8.644 -9.760 -2.084 1.00 0.00 H new ATOM 0 HA LYS A 39 6.238 -9.531 -3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.326 -8.413 -4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.155 -9.949 -4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.693 -10.553 -6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.844 -9.028 -6.051 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.963 -7.799 -6.476 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.818 -9.322 -6.630 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.339 -8.589 -8.852 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.258 -9.930 -8.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.156 -8.045 -9.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.470 -8.399 -8.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.505 -7.063 -8.268 1.00 0.00 H new ATOM 587 N ALA A 40 7.391 -12.496 -3.377 1.00 0.00 N ATOM 588 CA ALA A 40 7.098 -13.895 -3.667 1.00 0.00 C ATOM 589 C ALA A 40 5.653 -14.238 -3.304 1.00 0.00 C ATOM 590 O ALA A 40 5.057 -15.151 -3.874 1.00 0.00 O ATOM 591 CB ALA A 40 8.063 -14.799 -2.917 1.00 0.00 C ATOM 0 H ALA A 40 8.081 -12.361 -2.638 1.00 0.00 H new ATOM 0 HA ALA A 40 7.224 -14.056 -4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.834 -15.841 -3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.084 -14.577 -3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.963 -14.628 -1.845 1.00 0.00 H new ATOM 597 N ASN A 41 5.094 -13.483 -2.365 1.00 0.00 N ATOM 598 CA ASN A 41 3.720 -13.687 -1.918 1.00 0.00 C ATOM 599 C ASN A 41 3.206 -12.442 -1.193 1.00 0.00 C ATOM 600 O ASN A 41 2.970 -12.454 0.015 1.00 0.00 O ATOM 601 CB ASN A 41 3.590 -14.938 -1.024 1.00 0.00 C ATOM 602 CG ASN A 41 4.305 -14.845 0.325 1.00 0.00 C ATOM 603 OD1 ASN A 41 5.509 -14.303 0.338 1.00 0.00 O flip ATOM 604 ND2 ASN A 41 3.786 -15.301 1.345 1.00 0.00 N flip ATOM 0 H ASN A 41 5.576 -12.717 -1.895 1.00 0.00 H new ATOM 0 HA ASN A 41 3.104 -13.856 -2.801 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.532 -15.130 -0.845 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.982 -15.797 -1.568 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.854 -15.713 1.302 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.288 -15.266 2.232 1.00 0.00 H new ATOM 611 N PRO A 42 3.025 -11.336 -1.931 1.00 0.00 N ATOM 612 CA PRO A 42 2.595 -10.074 -1.342 1.00 0.00 C ATOM 613 C PRO A 42 1.191 -10.173 -0.772 1.00 0.00 C ATOM 614 O PRO A 42 0.278 -10.663 -1.441 1.00 0.00 O ATOM 615 CB PRO A 42 2.597 -9.076 -2.499 1.00 0.00 C ATOM 616 CG PRO A 42 3.213 -9.769 -3.670 1.00 0.00 C ATOM 617 CD PRO A 42 3.206 -11.245 -3.385 1.00 0.00 C ATOM 0 HA PRO A 42 3.251 -9.784 -0.521 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.582 -8.753 -2.732 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.164 -8.183 -2.237 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.653 -9.553 -4.580 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.232 -9.416 -3.831 1.00 0.00 H new ATOM 0 HD2 PRO A 42 2.400 -11.749 -3.918 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.138 -11.715 -3.699 1.00 0.00 H new ATOM 625 N ASP A 43 1.019 -9.723 0.458 1.00 0.00 N ATOM 626 CA ASP A 43 -0.287 -9.749 1.095 1.00 0.00 C ATOM 627 C ASP A 43 -1.194 -8.730 0.433 1.00 0.00 C ATOM 628 O ASP A 43 -0.758 -7.633 0.085 1.00 0.00 O ATOM 629 CB ASP A 43 -0.170 -9.465 2.593 1.00 0.00 C ATOM 630 CG ASP A 43 -1.441 -9.799 3.346 1.00 0.00 C ATOM 631 OD1 ASP A 43 -1.635 -10.985 3.697 1.00 0.00 O ATOM 632 OD2 ASP A 43 -2.249 -8.887 3.606 1.00 0.00 O ATOM 0 H ASP A 43 1.765 -9.336 1.035 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.715 -10.744 0.976 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.656 -10.044 3.006 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.072 -8.413 2.743 1.00 0.00 H new ATOM 637 N ILE A 44 -2.442 -9.101 0.232 1.00 0.00 N ATOM 638 CA ILE A 44 -3.366 -8.258 -0.473 1.00 0.00 C ATOM 639 C ILE A 44 -3.975 -7.205 0.455 1.00 0.00 C ATOM 640 O ILE A 44 -4.826 -7.496 1.299 1.00 0.00 O ATOM 641 CB ILE A 44 -4.464 -9.110 -1.153 1.00 0.00 C ATOM 642 CG1 ILE A 44 -5.488 -8.208 -1.818 1.00 0.00 C ATOM 643 CG2 ILE A 44 -5.131 -10.054 -0.164 1.00 0.00 C ATOM 644 CD1 ILE A 44 -4.923 -7.427 -2.981 1.00 0.00 C ATOM 0 H ILE A 44 -2.834 -9.987 0.551 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.817 -7.727 -1.251 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.990 -9.725 -1.918 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.325 -8.813 -2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.885 -7.512 -1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.897 -10.636 -0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.384 -10.727 0.257 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.591 -9.476 0.637 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.704 -6.802 -3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.105 -6.797 -2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.552 -8.118 -3.737 1.00 0.00 H new ATOM 656 N ILE A 45 -3.520 -5.974 0.289 1.00 0.00 N ATOM 657 CA ILE A 45 -4.047 -4.878 1.074 1.00 0.00 C ATOM 658 C ILE A 45 -5.132 -4.156 0.307 1.00 0.00 C ATOM 659 O ILE A 45 -4.963 -3.740 -0.840 1.00 0.00 O ATOM 660 CB ILE A 45 -2.978 -3.874 1.556 1.00 0.00 C ATOM 661 CG1 ILE A 45 -2.210 -3.254 0.400 1.00 0.00 C ATOM 662 CG2 ILE A 45 -2.009 -4.520 2.523 1.00 0.00 C ATOM 663 CD1 ILE A 45 -2.788 -1.946 -0.060 1.00 0.00 C ATOM 0 H ILE A 45 -2.793 -5.713 -0.377 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.461 -5.331 1.975 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.516 -3.079 2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.174 -3.100 0.702 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.198 -3.953 -0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.270 -3.785 2.843 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.554 -4.888 3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.505 -5.352 2.031 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.194 -1.556 -0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.815 -2.099 -0.391 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.775 -1.233 0.764 1.00 0.00 H new ATOM 675 N ARG A 46 -6.276 -4.090 0.911 1.00 0.00 N ATOM 676 CA ARG A 46 -7.377 -3.351 0.344 1.00 0.00 C ATOM 677 C ARG A 46 -7.377 -1.923 0.857 1.00 0.00 C ATOM 678 O ARG A 46 -6.630 -1.573 1.765 1.00 0.00 O ATOM 679 CB ARG A 46 -8.696 -4.045 0.673 1.00 0.00 C ATOM 680 CG ARG A 46 -8.753 -5.475 0.161 1.00 0.00 C ATOM 681 CD ARG A 46 -10.029 -6.177 0.581 1.00 0.00 C ATOM 682 NE ARG A 46 -11.192 -5.765 -0.207 1.00 0.00 N ATOM 683 CZ ARG A 46 -12.445 -6.083 0.113 1.00 0.00 C ATOM 684 NH1 ARG A 46 -12.708 -6.683 1.268 1.00 0.00 N ATOM 685 NH2 ARG A 46 -13.433 -5.803 -0.724 1.00 0.00 N ATOM 0 H ARG A 46 -6.480 -4.540 1.803 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.262 -3.321 -0.739 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.842 -4.045 1.753 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.519 -3.476 0.240 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.681 -5.474 -0.927 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.893 -6.029 0.537 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.894 -7.254 0.484 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.220 -5.973 1.635 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.034 -5.205 -1.045 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.949 -6.902 1.913 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.669 -6.925 1.510 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.234 -5.344 -1.613 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.393 -6.046 -0.480 1.00 0.00 H new ATOM 699 N LEU A 47 -8.257 -1.132 0.294 1.00 0.00 N ATOM 700 CA LEU A 47 -8.335 0.281 0.589 1.00 0.00 C ATOM 701 C LEU A 47 -9.780 0.707 0.482 1.00 0.00 C ATOM 702 O LEU A 47 -10.538 0.166 -0.321 1.00 0.00 O ATOM 703 CB LEU A 47 -7.465 1.127 -0.353 1.00 0.00 C ATOM 704 CG LEU A 47 -6.119 1.596 0.216 1.00 0.00 C ATOM 705 CD1 LEU A 47 -6.250 1.992 1.681 1.00 0.00 C ATOM 706 CD2 LEU A 47 -5.051 0.534 0.035 1.00 0.00 C ATOM 0 H LEU A 47 -8.945 -1.451 -0.387 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.953 0.445 1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.273 0.548 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -8.037 2.006 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.812 2.480 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.281 2.320 2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.970 2.805 1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.593 1.135 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.108 0.893 0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.351 -0.376 0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.926 0.321 -1.027 1.00 0.00 H new ATOM 718 N ARG A 48 -10.160 1.671 1.273 1.00 0.00 N ATOM 719 CA ARG A 48 -11.533 2.097 1.319 1.00 0.00 C ATOM 720 C ARG A 48 -11.629 3.583 1.035 1.00 0.00 C ATOM 721 O ARG A 48 -11.224 4.408 1.842 1.00 0.00 O ATOM 722 CB ARG A 48 -12.130 1.737 2.681 1.00 0.00 C ATOM 723 CG ARG A 48 -13.456 2.417 2.997 1.00 0.00 C ATOM 724 CD ARG A 48 -14.556 1.984 2.039 1.00 0.00 C ATOM 725 NE ARG A 48 -15.883 2.347 2.531 1.00 0.00 N ATOM 726 CZ ARG A 48 -16.824 2.941 1.798 1.00 0.00 C ATOM 727 NH1 ARG A 48 -16.582 3.302 0.543 1.00 0.00 N ATOM 728 NH2 ARG A 48 -18.013 3.179 2.329 1.00 0.00 N ATOM 0 H ARG A 48 -9.535 2.180 1.898 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.108 1.582 0.549 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -12.272 0.657 2.726 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -11.410 1.997 3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -13.751 2.181 4.019 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -13.332 3.499 2.943 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.391 2.445 1.065 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.506 0.905 1.893 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.104 2.131 3.503 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.667 3.125 0.129 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -17.311 3.756 -0.007 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.204 2.908 3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -18.738 3.633 1.774 1.00 0.00 H new ATOM 742 N GLU A 49 -12.196 3.915 -0.110 1.00 0.00 N ATOM 743 CA GLU A 49 -12.321 5.305 -0.494 1.00 0.00 C ATOM 744 C GLU A 49 -13.591 5.825 0.116 1.00 0.00 C ATOM 745 O GLU A 49 -14.679 5.497 -0.356 1.00 0.00 O ATOM 746 CB GLU A 49 -12.433 5.480 -1.999 1.00 0.00 C ATOM 747 CG GLU A 49 -12.253 6.920 -2.467 1.00 0.00 C ATOM 748 CD GLU A 49 -10.811 7.382 -2.470 1.00 0.00 C ATOM 749 OE1 GLU A 49 -10.012 6.822 -3.253 1.00 0.00 O ATOM 750 OE2 GLU A 49 -10.480 8.311 -1.705 1.00 0.00 O ATOM 0 H GLU A 49 -12.573 3.248 -0.783 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.433 5.837 -0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.685 4.854 -2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.409 5.121 -2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.659 7.019 -3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.835 7.578 -1.822 1.00 0.00 H new ATOM 757 N ARG A 50 -13.472 6.602 1.165 1.00 0.00 N ATOM 758 CA ARG A 50 -14.638 7.189 1.786 1.00 0.00 C ATOM 759 C ARG A 50 -15.220 8.314 0.930 1.00 0.00 C ATOM 760 O ARG A 50 -15.867 9.232 1.431 1.00 0.00 O ATOM 761 CB ARG A 50 -14.288 7.681 3.183 1.00 0.00 C ATOM 762 CG ARG A 50 -13.114 8.624 3.171 1.00 0.00 C ATOM 763 CD ARG A 50 -12.694 9.052 4.570 1.00 0.00 C ATOM 764 NE ARG A 50 -13.782 9.687 5.312 1.00 0.00 N ATOM 765 CZ ARG A 50 -13.663 10.843 5.969 1.00 0.00 C ATOM 766 NH1 ARG A 50 -12.509 11.506 5.961 1.00 0.00 N ATOM 767 NH2 ARG A 50 -14.698 11.328 6.642 1.00 0.00 N ATOM 0 H ARG A 50 -12.584 6.843 1.606 1.00 0.00 H new ATOM 0 HA ARG A 50 -15.408 6.422 1.870 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -15.152 8.183 3.618 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.061 6.827 3.822 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.272 8.143 2.674 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.368 9.508 2.585 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.342 8.181 5.122 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.855 9.744 4.498 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.688 9.218 5.329 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.709 11.131 5.451 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.425 12.389 6.465 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.581 10.818 6.656 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.611 12.211 7.145 1.00 0.00 H new ATOM 781 N GLY A 51 -14.967 8.233 -0.367 1.00 0.00 N ATOM 782 CA GLY A 51 -15.581 9.141 -1.307 1.00 0.00 C ATOM 783 C GLY A 51 -16.246 8.413 -2.462 1.00 0.00 C ATOM 784 O GLY A 51 -16.820 9.048 -3.348 1.00 0.00 O ATOM 0 H GLY A 51 -14.340 7.546 -0.787 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.322 9.750 -0.789 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -14.825 9.822 -1.697 1.00 0.00 H new ATOM 788 N THR A 52 -16.201 7.078 -2.455 1.00 0.00 N ATOM 789 CA THR A 52 -16.732 6.288 -3.567 1.00 0.00 C ATOM 790 C THR A 52 -17.311 4.978 -3.041 1.00 0.00 C ATOM 791 O THR A 52 -17.109 4.629 -1.878 1.00 0.00 O ATOM 792 CB THR A 52 -15.639 5.937 -4.608 1.00 0.00 C ATOM 793 OG1 THR A 52 -14.681 5.050 -4.028 1.00 0.00 O ATOM 794 CG2 THR A 52 -14.919 7.176 -5.120 1.00 0.00 C ATOM 0 H THR A 52 -15.804 6.525 -1.695 1.00 0.00 H new ATOM 0 HA THR A 52 -17.499 6.895 -4.049 1.00 0.00 H new ATOM 0 HB THR A 52 -16.138 5.459 -5.451 1.00 0.00 H new ATOM 0 HG1 THR A 52 -13.778 5.329 -4.287 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.162 6.882 -5.847 1.00 0.00 H new ATOM 0 HG22 THR A 52 -15.638 7.844 -5.594 1.00 0.00 H new ATOM 0 HG23 THR A 52 -14.441 7.690 -4.286 1.00 0.00 H new ATOM 802 N LYS A 53 -18.015 4.251 -3.900 1.00 0.00 N ATOM 803 CA LYS A 53 -18.480 2.905 -3.566 1.00 0.00 C ATOM 804 C LYS A 53 -17.490 1.880 -4.093 1.00 0.00 C ATOM 805 O LYS A 53 -17.875 0.811 -4.577 1.00 0.00 O ATOM 806 CB LYS A 53 -19.862 2.625 -4.159 1.00 0.00 C ATOM 807 CG LYS A 53 -21.004 3.317 -3.438 1.00 0.00 C ATOM 808 CD LYS A 53 -22.345 2.947 -4.050 1.00 0.00 C ATOM 809 CE LYS A 53 -22.608 1.447 -3.981 1.00 0.00 C ATOM 810 NZ LYS A 53 -22.791 0.973 -2.585 1.00 0.00 N ATOM 0 H LYS A 53 -18.278 4.568 -4.833 1.00 0.00 H new ATOM 0 HA LYS A 53 -18.554 2.835 -2.481 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -19.866 2.936 -5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -20.039 1.549 -4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -20.993 3.039 -2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -20.866 4.397 -3.485 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -23.141 3.479 -3.529 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -22.371 3.273 -5.090 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -23.498 1.209 -4.563 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -21.775 0.912 -4.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -23.051 -0.034 -2.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -21.904 1.098 -2.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -23.547 1.522 -2.128 1.00 0.00 H new ATOM 824 N LYS A 54 -16.213 2.214 -3.997 1.00 0.00 N ATOM 825 CA LYS A 54 -15.169 1.405 -4.590 1.00 0.00 C ATOM 826 C LYS A 54 -14.077 1.058 -3.584 1.00 0.00 C ATOM 827 O LYS A 54 -13.579 1.919 -2.849 1.00 0.00 O ATOM 828 CB LYS A 54 -14.573 2.129 -5.801 1.00 0.00 C ATOM 829 CG LYS A 54 -15.570 2.296 -6.939 1.00 0.00 C ATOM 830 CD LYS A 54 -14.988 3.066 -8.115 1.00 0.00 C ATOM 831 CE LYS A 54 -14.700 4.513 -7.751 1.00 0.00 C ATOM 832 NZ LYS A 54 -14.424 5.346 -8.952 1.00 0.00 N ATOM 0 H LYS A 54 -15.877 3.045 -3.511 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.618 0.466 -4.915 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -14.215 3.111 -5.491 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -13.708 1.573 -6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -15.897 1.313 -7.278 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.454 2.816 -6.570 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -14.068 2.584 -8.446 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.685 3.033 -8.952 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.551 4.927 -7.211 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.844 4.554 -7.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.233 6.325 -8.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.596 4.967 -9.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.250 5.329 -9.584 1.00 0.00 H new ATOM 846 N VAL A 55 -13.725 -0.216 -3.558 1.00 0.00 N ATOM 847 CA VAL A 55 -12.622 -0.705 -2.752 1.00 0.00 C ATOM 848 C VAL A 55 -11.351 -0.704 -3.592 1.00 0.00 C ATOM 849 O VAL A 55 -11.284 -1.343 -4.638 1.00 0.00 O ATOM 850 CB VAL A 55 -12.895 -2.127 -2.215 1.00 0.00 C ATOM 851 CG1 VAL A 55 -11.757 -2.598 -1.323 1.00 0.00 C ATOM 852 CG2 VAL A 55 -14.209 -2.168 -1.455 1.00 0.00 C ATOM 0 H VAL A 55 -14.198 -0.941 -4.097 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.506 -0.045 -1.893 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.964 -2.801 -3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -11.973 -3.602 -0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.829 -2.612 -1.894 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -11.653 -1.918 -0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.384 -3.178 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.165 -1.476 -0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -15.023 -1.880 -2.120 1.00 0.00 H new ATOM 862 N HIS A 56 -10.359 0.044 -3.156 1.00 0.00 N ATOM 863 CA HIS A 56 -9.099 0.122 -3.876 1.00 0.00 C ATOM 864 C HIS A 56 -8.243 -1.091 -3.516 1.00 0.00 C ATOM 865 O HIS A 56 -8.111 -1.423 -2.349 1.00 0.00 O ATOM 866 CB HIS A 56 -8.382 1.433 -3.541 1.00 0.00 C ATOM 867 CG HIS A 56 -9.088 2.653 -4.059 1.00 0.00 C ATOM 868 ND1 HIS A 56 -8.921 3.107 -5.345 1.00 0.00 N ATOM 869 CD2 HIS A 56 -9.952 3.525 -3.468 1.00 0.00 C ATOM 870 CE1 HIS A 56 -9.638 4.195 -5.523 1.00 0.00 C ATOM 871 NE2 HIS A 56 -10.272 4.479 -4.402 1.00 0.00 N ATOM 0 H HIS A 56 -10.398 0.608 -2.307 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.282 0.112 -4.951 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -8.279 1.515 -2.459 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.374 1.403 -3.956 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -10.317 3.475 -2.453 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -9.698 4.764 -6.439 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -10.895 5.273 -4.254 1.00 0.00 H new ATOM 880 N VAL A 57 -7.687 -1.765 -4.512 1.00 0.00 N ATOM 881 CA VAL A 57 -7.027 -3.047 -4.273 1.00 0.00 C ATOM 882 C VAL A 57 -5.573 -3.042 -4.741 1.00 0.00 C ATOM 883 O VAL A 57 -5.299 -2.885 -5.932 1.00 0.00 O ATOM 884 CB VAL A 57 -7.782 -4.190 -4.982 1.00 0.00 C ATOM 885 CG1 VAL A 57 -7.094 -5.526 -4.751 1.00 0.00 C ATOM 886 CG2 VAL A 57 -9.227 -4.247 -4.516 1.00 0.00 C ATOM 0 H VAL A 57 -7.677 -1.453 -5.483 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.040 -3.209 -3.195 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.771 -3.986 -6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.648 -6.314 -5.262 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.078 -5.484 -5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.063 -5.739 -3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.743 -5.060 -5.028 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.256 -4.419 -3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.721 -3.303 -4.745 1.00 0.00 H new ATOM 896 N PHE A 58 -4.645 -3.200 -3.800 1.00 0.00 N ATOM 897 CA PHE A 58 -3.234 -3.329 -4.136 1.00 0.00 C ATOM 898 C PHE A 58 -2.638 -4.510 -3.383 1.00 0.00 C ATOM 899 O PHE A 58 -2.897 -4.683 -2.200 1.00 0.00 O ATOM 900 CB PHE A 58 -2.406 -2.080 -3.747 1.00 0.00 C ATOM 901 CG PHE A 58 -3.006 -0.730 -4.008 1.00 0.00 C ATOM 902 CD1 PHE A 58 -4.264 -0.383 -3.539 1.00 0.00 C ATOM 903 CD2 PHE A 58 -2.283 0.202 -4.718 1.00 0.00 C ATOM 904 CE1 PHE A 58 -4.783 0.865 -3.782 1.00 0.00 C ATOM 905 CE2 PHE A 58 -2.795 1.450 -4.964 1.00 0.00 C ATOM 906 CZ PHE A 58 -4.049 1.785 -4.498 1.00 0.00 C ATOM 0 H PHE A 58 -4.847 -3.241 -2.801 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.187 -3.461 -5.217 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.182 -2.146 -2.682 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.455 -2.131 -4.277 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.842 -1.102 -2.977 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.300 -0.053 -5.086 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.764 1.125 -3.413 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.216 2.171 -5.523 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.455 2.767 -4.694 1.00 0.00 H new ATOM 916 N LYS A 59 -1.860 -5.344 -4.050 1.00 0.00 N ATOM 917 CA LYS A 59 -0.975 -6.233 -3.319 1.00 0.00 C ATOM 918 C LYS A 59 0.134 -5.405 -2.702 1.00 0.00 C ATOM 919 O LYS A 59 0.286 -4.240 -3.042 1.00 0.00 O ATOM 920 CB LYS A 59 -0.411 -7.331 -4.218 1.00 0.00 C ATOM 921 CG LYS A 59 -1.390 -8.467 -4.443 1.00 0.00 C ATOM 922 CD LYS A 59 -0.771 -9.596 -5.241 1.00 0.00 C ATOM 923 CE LYS A 59 -1.680 -10.811 -5.254 1.00 0.00 C ATOM 924 NZ LYS A 59 -1.165 -11.890 -6.135 1.00 0.00 N ATOM 0 H LYS A 59 -1.821 -5.425 -5.066 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.539 -6.737 -2.534 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.134 -6.900 -5.180 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.501 -7.727 -3.772 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.732 -8.848 -3.481 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.268 -8.091 -4.967 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.585 -9.265 -6.263 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.194 -9.864 -4.812 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.786 -11.193 -4.239 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.674 -10.515 -5.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.819 -12.699 -6.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.088 -11.535 -7.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.228 -12.193 -5.801 1.00 0.00 H new ATOM 938 N ALA A 60 0.928 -5.999 -1.838 1.00 0.00 N ATOM 939 CA ALA A 60 1.813 -5.232 -0.985 1.00 0.00 C ATOM 940 C ALA A 60 2.879 -6.140 -0.413 1.00 0.00 C ATOM 941 O ALA A 60 2.584 -7.238 0.052 1.00 0.00 O ATOM 942 CB ALA A 60 1.033 -4.569 0.137 1.00 0.00 C ATOM 0 H ALA A 60 0.980 -7.009 -1.707 1.00 0.00 H new ATOM 0 HA ALA A 60 2.286 -4.451 -1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.715 -3.998 0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.284 -3.900 -0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.539 -5.333 0.737 1.00 0.00 H new ATOM 948 N TRP A 61 4.112 -5.694 -0.455 1.00 0.00 N ATOM 949 CA TRP A 61 5.208 -6.480 0.074 1.00 0.00 C ATOM 950 C TRP A 61 6.295 -5.556 0.579 1.00 0.00 C ATOM 951 O TRP A 61 6.083 -4.355 0.673 1.00 0.00 O ATOM 952 CB TRP A 61 5.737 -7.450 -0.987 1.00 0.00 C ATOM 953 CG TRP A 61 6.398 -6.811 -2.177 1.00 0.00 C ATOM 954 CD1 TRP A 61 7.745 -6.662 -2.386 1.00 0.00 C ATOM 955 CD2 TRP A 61 5.749 -6.258 -3.335 1.00 0.00 C ATOM 956 NE1 TRP A 61 7.970 -6.068 -3.601 1.00 0.00 N ATOM 957 CE2 TRP A 61 6.765 -5.804 -4.199 1.00 0.00 C ATOM 958 CE3 TRP A 61 4.411 -6.100 -3.728 1.00 0.00 C ATOM 959 CZ2 TRP A 61 6.487 -5.212 -5.429 1.00 0.00 C ATOM 960 CZ3 TRP A 61 4.141 -5.510 -4.948 1.00 0.00 C ATOM 961 CH2 TRP A 61 5.174 -5.072 -5.785 1.00 0.00 C ATOM 0 H TRP A 61 4.384 -4.793 -0.849 1.00 0.00 H new ATOM 0 HA TRP A 61 4.853 -7.081 0.911 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.452 -8.123 -0.514 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.907 -8.063 -1.340 1.00 0.00 H new ATOM 0 HD1 TRP A 61 8.516 -6.968 -1.694 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.886 -5.857 -3.996 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.607 -6.433 -3.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 7.281 -4.875 -6.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 3.115 -5.385 -5.261 1.00 0.00 H new ATOM 0 HH2 TRP A 61 4.929 -4.614 -6.732 1.00 0.00 H new ATOM 972 N LYS A 62 7.432 -6.107 0.957 1.00 0.00 N ATOM 973 CA LYS A 62 8.549 -5.282 1.371 1.00 0.00 C ATOM 974 C LYS A 62 9.830 -5.720 0.695 1.00 0.00 C ATOM 975 O LYS A 62 10.118 -6.913 0.589 1.00 0.00 O ATOM 976 CB LYS A 62 8.712 -5.279 2.892 1.00 0.00 C ATOM 977 CG LYS A 62 7.605 -4.526 3.612 1.00 0.00 C ATOM 978 CD LYS A 62 8.097 -3.909 4.905 1.00 0.00 C ATOM 979 CE LYS A 62 7.101 -2.899 5.429 1.00 0.00 C ATOM 980 NZ LYS A 62 5.811 -3.531 5.814 1.00 0.00 N ATOM 0 H LYS A 62 7.606 -7.112 0.986 1.00 0.00 H new ATOM 0 HA LYS A 62 8.332 -4.261 1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.735 -6.308 3.250 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.672 -4.831 3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.214 -3.744 2.961 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.780 -5.206 3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.256 -4.690 5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.060 -3.425 4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.525 -2.387 6.293 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.919 -2.141 4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.051 -3.171 5.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.884 -4.563 5.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.595 -3.302 6.805 1.00 0.00 H new ATOM 994 N GLU A 63 10.586 -4.736 0.238 1.00 0.00 N ATOM 995 CA GLU A 63 11.831 -4.980 -0.475 1.00 0.00 C ATOM 996 C GLU A 63 12.894 -3.999 0.010 1.00 0.00 C ATOM 997 O GLU A 63 12.614 -2.815 0.180 1.00 0.00 O ATOM 998 CB GLU A 63 11.616 -4.823 -1.976 1.00 0.00 C ATOM 999 CG GLU A 63 12.168 -5.966 -2.800 1.00 0.00 C ATOM 1000 CD GLU A 63 13.658 -6.181 -2.598 1.00 0.00 C ATOM 1001 OE1 GLU A 63 14.059 -6.692 -1.530 1.00 0.00 O ATOM 1002 OE2 GLU A 63 14.439 -5.826 -3.504 1.00 0.00 O ATOM 0 H GLU A 63 10.356 -3.748 0.350 1.00 0.00 H new ATOM 0 HA GLU A 63 12.165 -5.999 -0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.548 -4.730 -2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.082 -3.894 -2.304 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.637 -6.882 -2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.975 -5.772 -3.855 1.00 0.00 H new ATOM 1009 N ILE A 64 14.112 -4.476 0.211 1.00 0.00 N ATOM 1010 CA ILE A 64 15.103 -3.698 0.942 1.00 0.00 C ATOM 1011 C ILE A 64 15.848 -2.670 0.077 1.00 0.00 C ATOM 1012 O ILE A 64 16.829 -2.955 -0.615 1.00 0.00 O ATOM 1013 CB ILE A 64 16.076 -4.602 1.719 1.00 0.00 C ATOM 1014 CG1 ILE A 64 17.060 -3.759 2.524 1.00 0.00 C ATOM 1015 CG2 ILE A 64 16.796 -5.580 0.798 1.00 0.00 C ATOM 1016 CD1 ILE A 64 17.964 -4.572 3.423 1.00 0.00 C ATOM 0 H ILE A 64 14.437 -5.386 -0.116 1.00 0.00 H new ATOM 0 HA ILE A 64 14.537 -3.112 1.667 1.00 0.00 H new ATOM 0 HB ILE A 64 15.493 -5.201 2.418 1.00 0.00 H new ATOM 0 HG12 ILE A 64 17.674 -3.178 1.836 1.00 0.00 H new ATOM 0 HG13 ILE A 64 16.502 -3.047 3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 64 17.474 -6.200 1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 64 16.064 -6.215 0.298 1.00 0.00 H new ATOM 0 HG23 ILE A 64 17.365 -5.025 0.052 1.00 0.00 H new ATOM 0 HD11 ILE A 64 18.636 -3.905 3.963 1.00 0.00 H new ATOM 0 HD12 ILE A 64 17.359 -5.133 4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 64 18.550 -5.265 2.819 1.00 0.00 H new ATOM 1028 N VAL A 65 15.306 -1.473 0.130 1.00 0.00 N ATOM 1029 CA VAL A 65 15.921 -0.274 -0.433 1.00 0.00 C ATOM 1030 C VAL A 65 16.321 0.649 0.713 1.00 0.00 C ATOM 1031 O VAL A 65 16.238 0.247 1.865 1.00 0.00 O ATOM 1032 CB VAL A 65 14.959 0.464 -1.388 1.00 0.00 C ATOM 1033 CG1 VAL A 65 14.594 -0.424 -2.568 1.00 0.00 C ATOM 1034 CG2 VAL A 65 13.704 0.911 -0.652 1.00 0.00 C ATOM 0 H VAL A 65 14.405 -1.294 0.574 1.00 0.00 H new ATOM 0 HA VAL A 65 16.796 -0.568 -1.013 1.00 0.00 H new ATOM 0 HB VAL A 65 15.468 1.351 -1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 65 13.915 0.113 -3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.498 -0.693 -3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 65 14.107 -1.329 -2.205 1.00 0.00 H new ATOM 0 HG21 VAL A 65 13.041 1.429 -1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 65 13.193 0.040 -0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.979 1.585 0.159 1.00 0.00 H new ATOM 1044 N ASP A 66 16.804 1.852 0.442 1.00 0.00 N ATOM 1045 CA ASP A 66 16.981 2.828 1.504 1.00 0.00 C ATOM 1046 C ASP A 66 15.821 3.813 1.538 1.00 0.00 C ATOM 1047 O ASP A 66 14.911 3.754 0.711 1.00 0.00 O ATOM 1048 CB ASP A 66 18.299 3.585 1.324 1.00 0.00 C ATOM 1049 CG ASP A 66 18.425 4.239 -0.034 1.00 0.00 C ATOM 1050 OD1 ASP A 66 18.641 3.511 -1.024 1.00 0.00 O ATOM 1051 OD2 ASP A 66 18.319 5.483 -0.117 1.00 0.00 O ATOM 0 H ASP A 66 17.076 2.171 -0.488 1.00 0.00 H new ATOM 0 HA ASP A 66 17.007 2.289 2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.382 4.348 2.098 1.00 0.00 H new ATOM 0 HB3 ASP A 66 19.130 2.895 1.467 1.00 0.00 H new ATOM 1056 N ALA A 67 15.866 4.723 2.499 1.00 0.00 N ATOM 1057 CA ALA A 67 14.806 5.692 2.688 1.00 0.00 C ATOM 1058 C ALA A 67 15.372 7.108 2.672 1.00 0.00 C ATOM 1059 O ALA A 67 16.592 7.287 2.793 1.00 0.00 O ATOM 1060 CB ALA A 67 14.079 5.417 4.000 1.00 0.00 C ATOM 0 H ALA A 67 16.635 4.808 3.164 1.00 0.00 H new ATOM 0 HA ALA A 67 14.093 5.602 1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 67 13.283 6.150 4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 67 13.650 4.415 3.975 1.00 0.00 H new ATOM 0 HB3 ALA A 67 14.784 5.489 4.828 1.00 0.00 H new ATOM 1066 N PRO A 68 14.504 8.127 2.501 1.00 0.00 N ATOM 1067 CA PRO A 68 14.907 9.535 2.551 1.00 0.00 C ATOM 1068 C PRO A 68 15.807 9.845 3.739 1.00 0.00 C ATOM 1069 O PRO A 68 15.700 9.228 4.803 1.00 0.00 O ATOM 1070 CB PRO A 68 13.580 10.273 2.683 1.00 0.00 C ATOM 1071 CG PRO A 68 12.598 9.401 1.988 1.00 0.00 C ATOM 1072 CD PRO A 68 13.061 7.986 2.218 1.00 0.00 C ATOM 0 HA PRO A 68 15.490 9.822 1.676 1.00 0.00 H new ATOM 0 HB2 PRO A 68 13.310 10.420 3.729 1.00 0.00 H new ATOM 0 HB3 PRO A 68 13.628 11.261 2.224 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.594 9.552 2.384 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.558 9.630 0.923 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.533 7.523 3.052 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.885 7.360 1.343 1.00 0.00 H new ATOM 1080 N LYS A 69 16.690 10.814 3.556 1.00 0.00 N ATOM 1081 CA LYS A 69 17.680 11.149 4.571 1.00 0.00 C ATOM 1082 C LYS A 69 17.077 12.096 5.608 1.00 0.00 C ATOM 1083 O LYS A 69 17.779 12.674 6.434 1.00 0.00 O ATOM 1084 CB LYS A 69 18.924 11.757 3.912 1.00 0.00 C ATOM 1085 CG LYS A 69 19.359 11.024 2.643 1.00 0.00 C ATOM 1086 CD LYS A 69 19.362 9.513 2.838 1.00 0.00 C ATOM 1087 CE LYS A 69 19.507 8.771 1.514 1.00 0.00 C ATOM 1088 NZ LYS A 69 19.301 7.303 1.671 1.00 0.00 N ATOM 0 H LYS A 69 16.742 11.385 2.712 1.00 0.00 H new ATOM 0 HA LYS A 69 17.984 10.240 5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 69 18.724 12.801 3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 69 19.746 11.748 4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 69 18.688 11.284 1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 69 20.357 11.356 2.355 1.00 0.00 H new ATOM 0 HD2 LYS A 69 20.180 9.234 3.502 1.00 0.00 H new ATOM 0 HD3 LYS A 69 18.436 9.208 3.326 1.00 0.00 H new ATOM 0 HE2 LYS A 69 18.786 9.164 0.797 1.00 0.00 H new ATOM 0 HE3 LYS A 69 20.499 8.956 1.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 19.121 6.876 0.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 20.152 6.876 2.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 18.486 7.131 2.294 1.00 0.00 H new ATOM 1102 N ASN A 70 15.758 12.226 5.547 1.00 0.00 N ATOM 1103 CA ASN A 70 14.986 12.982 6.516 1.00 0.00 C ATOM 1104 C ASN A 70 14.029 12.037 7.235 1.00 0.00 C ATOM 1105 O ASN A 70 12.993 12.441 7.767 1.00 0.00 O ATOM 1106 CB ASN A 70 14.213 14.101 5.816 1.00 0.00 C ATOM 1107 CG ASN A 70 13.339 13.590 4.684 1.00 0.00 C ATOM 1108 OD1 ASN A 70 13.799 13.437 3.553 1.00 0.00 O ATOM 1109 ND2 ASN A 70 12.075 13.331 4.972 1.00 0.00 N ATOM 0 H ASN A 70 15.190 11.803 4.813 1.00 0.00 H new ATOM 0 HA ASN A 70 15.656 13.438 7.245 1.00 0.00 H new ATOM 0 HB2 ASN A 70 13.590 14.618 6.546 1.00 0.00 H new ATOM 0 HB3 ASN A 70 14.918 14.833 5.423 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.445 12.992 4.245 1.00 0.00 H new ATOM 0 HD22 ASN A 70 11.729 13.470 5.922 1.00 0.00 H new ATOM 1116 N ARG A 71 14.402 10.763 7.211 1.00 0.00 N ATOM 1117 CA ARG A 71 13.644 9.683 7.839 1.00 0.00 C ATOM 1118 C ARG A 71 13.577 9.851 9.361 1.00 0.00 C ATOM 1119 O ARG A 71 14.267 10.707 9.927 1.00 0.00 O ATOM 1120 CB ARG A 71 14.335 8.359 7.513 1.00 0.00 C ATOM 1121 CG ARG A 71 15.715 8.264 8.141 1.00 0.00 C ATOM 1122 CD ARG A 71 16.484 7.051 7.667 1.00 0.00 C ATOM 1123 NE ARG A 71 17.770 6.941 8.348 1.00 0.00 N ATOM 1124 CZ ARG A 71 18.930 7.339 7.831 1.00 0.00 C ATOM 1125 NH1 ARG A 71 18.968 7.925 6.639 1.00 0.00 N ATOM 1126 NH2 ARG A 71 20.047 7.173 8.523 1.00 0.00 N ATOM 0 H ARG A 71 15.253 10.444 6.748 1.00 0.00 H new ATOM 0 HA ARG A 71 12.624 9.702 7.454 1.00 0.00 H new ATOM 0 HB2 ARG A 71 13.719 7.532 7.867 1.00 0.00 H new ATOM 0 HB3 ARG A 71 14.421 8.252 6.432 1.00 0.00 H new ATOM 0 HG2 ARG A 71 16.281 9.165 7.904 1.00 0.00 H new ATOM 0 HG3 ARG A 71 15.615 8.226 9.226 1.00 0.00 H new ATOM 0 HD2 ARG A 71 15.896 6.151 7.848 1.00 0.00 H new ATOM 0 HD3 ARG A 71 16.644 7.117 6.591 1.00 0.00 H new ATOM 0 HE ARG A 71 17.781 6.532 9.282 1.00 0.00 H new ATOM 0 HH11 ARG A 71 18.105 8.072 6.115 1.00 0.00 H new ATOM 0 HH12 ARG A 71 19.860 8.228 6.248 1.00 0.00 H new ATOM 0 HH21 ARG A 71 20.015 6.742 9.447 1.00 0.00 H new ATOM 0 HH22 ARG A 71 20.939 7.476 8.132 1.00 0.00 H new ATOM 1140 N PRO A 72 12.742 9.041 10.045 1.00 0.00 N ATOM 1141 CA PRO A 72 12.728 8.973 11.513 1.00 0.00 C ATOM 1142 C PRO A 72 14.085 8.621 12.108 1.00 0.00 C ATOM 1143 O PRO A 72 15.006 8.191 11.410 1.00 0.00 O ATOM 1144 CB PRO A 72 11.743 7.853 11.809 1.00 0.00 C ATOM 1145 CG PRO A 72 10.838 7.826 10.633 1.00 0.00 C ATOM 1146 CD PRO A 72 11.707 8.166 9.455 1.00 0.00 C ATOM 0 HA PRO A 72 12.463 9.938 11.946 1.00 0.00 H new ATOM 0 HB2 PRO A 72 12.255 6.899 11.937 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.191 8.044 12.729 1.00 0.00 H new ATOM 0 HG2 PRO A 72 10.379 6.845 10.513 1.00 0.00 H new ATOM 0 HG3 PRO A 72 10.027 8.546 10.744 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.142 7.274 9.004 1.00 0.00 H new ATOM 0 HD3 PRO A 72 11.145 8.677 8.673 1.00 0.00 H new ATOM 1154 N ALA A 73 14.176 8.772 13.418 1.00 0.00 N ATOM 1155 CA ALA A 73 15.443 8.692 14.116 1.00 0.00 C ATOM 1156 C ALA A 73 15.784 7.279 14.588 1.00 0.00 C ATOM 1157 O ALA A 73 16.926 7.002 14.954 1.00 0.00 O ATOM 1158 CB ALA A 73 15.428 9.652 15.290 1.00 0.00 C ATOM 0 H ALA A 73 13.376 8.953 14.024 1.00 0.00 H new ATOM 0 HA ALA A 73 16.223 8.971 13.407 1.00 0.00 H new ATOM 0 HB1 ALA A 73 16.380 9.595 15.819 1.00 0.00 H new ATOM 0 HB2 ALA A 73 15.274 10.668 14.927 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.619 9.383 15.969 1.00 0.00 H new ATOM 1164 N TRP A 74 14.801 6.390 14.590 1.00 0.00 N ATOM 1165 CA TRP A 74 14.997 5.022 15.065 1.00 0.00 C ATOM 1166 C TRP A 74 15.400 4.098 13.926 1.00 0.00 C ATOM 1167 O TRP A 74 16.026 3.061 14.140 1.00 0.00 O ATOM 1168 CB TRP A 74 13.701 4.507 15.708 1.00 0.00 C ATOM 1169 CG TRP A 74 12.479 4.824 14.893 1.00 0.00 C ATOM 1170 CD1 TRP A 74 11.717 5.953 14.974 1.00 0.00 C ATOM 1171 CD2 TRP A 74 11.883 4.015 13.865 1.00 0.00 C ATOM 1172 NE1 TRP A 74 10.700 5.902 14.058 1.00 0.00 N ATOM 1173 CE2 TRP A 74 10.777 4.727 13.367 1.00 0.00 C ATOM 1174 CE3 TRP A 74 12.178 2.765 13.312 1.00 0.00 C ATOM 1175 CZ2 TRP A 74 9.967 4.239 12.351 1.00 0.00 C ATOM 1176 CZ3 TRP A 74 11.369 2.279 12.298 1.00 0.00 C ATOM 1177 CH2 TRP A 74 10.278 3.018 11.826 1.00 0.00 C ATOM 0 H TRP A 74 13.854 6.590 14.267 1.00 0.00 H new ATOM 0 HA TRP A 74 15.800 5.030 15.802 1.00 0.00 H new ATOM 0 HB2 TRP A 74 13.772 3.428 15.843 1.00 0.00 H new ATOM 0 HB3 TRP A 74 13.594 4.946 16.700 1.00 0.00 H new ATOM 0 HD1 TRP A 74 11.891 6.768 15.661 1.00 0.00 H new ATOM 0 HE1 TRP A 74 9.997 6.627 13.915 1.00 0.00 H new ATOM 0 HE3 TRP A 74 13.020 2.190 13.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 9.121 4.805 11.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.584 1.314 11.864 1.00 0.00 H new ATOM 0 HH2 TRP A 74 9.670 2.614 11.030 1.00 0.00 H new ATOM 1188 N MET A 75 15.036 4.482 12.717 1.00 0.00 N ATOM 1189 CA MET A 75 15.215 3.635 11.559 1.00 0.00 C ATOM 1190 C MET A 75 16.437 4.075 10.768 1.00 0.00 C ATOM 1191 O MET A 75 16.767 5.261 10.732 1.00 0.00 O ATOM 1192 CB MET A 75 13.961 3.730 10.693 1.00 0.00 C ATOM 1193 CG MET A 75 13.861 2.681 9.601 1.00 0.00 C ATOM 1194 SD MET A 75 12.274 2.736 8.750 1.00 0.00 S ATOM 1195 CE MET A 75 12.188 4.477 8.357 1.00 0.00 C ATOM 0 H MET A 75 14.610 5.386 12.513 1.00 0.00 H new ATOM 0 HA MET A 75 15.371 2.603 11.874 1.00 0.00 H new ATOM 0 HB2 MET A 75 13.085 3.649 11.337 1.00 0.00 H new ATOM 0 HB3 MET A 75 13.928 4.718 10.233 1.00 0.00 H new ATOM 0 HG2 MET A 75 14.664 2.832 8.879 1.00 0.00 H new ATOM 0 HG3 MET A 75 14.005 1.692 10.035 1.00 0.00 H new ATOM 0 HE1 MET A 75 11.560 4.621 7.478 1.00 0.00 H new ATOM 0 HE2 MET A 75 11.762 5.020 9.201 1.00 0.00 H new ATOM 0 HE3 MET A 75 13.190 4.854 8.152 1.00 0.00 H new ATOM 1205 N PRO A 76 17.131 3.126 10.131 1.00 0.00 N ATOM 1206 CA PRO A 76 18.207 3.431 9.227 1.00 0.00 C ATOM 1207 C PRO A 76 17.659 3.739 7.858 1.00 0.00 C ATOM 1208 O PRO A 76 16.445 3.666 7.650 1.00 0.00 O ATOM 1209 CB PRO A 76 19.021 2.154 9.181 1.00 0.00 C ATOM 1210 CG PRO A 76 18.077 1.063 9.514 1.00 0.00 C ATOM 1211 CD PRO A 76 16.888 1.681 10.201 1.00 0.00 C ATOM 0 HA PRO A 76 18.791 4.295 9.543 1.00 0.00 H new ATOM 0 HB2 PRO A 76 19.459 2.005 8.194 1.00 0.00 H new ATOM 0 HB3 PRO A 76 19.845 2.189 9.894 1.00 0.00 H new ATOM 0 HG2 PRO A 76 17.766 0.537 8.611 1.00 0.00 H new ATOM 0 HG3 PRO A 76 18.555 0.329 10.163 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.957 1.411 9.702 1.00 0.00 H new ATOM 0 HD3 PRO A 76 16.806 1.342 11.234 1.00 0.00 H new ATOM 1219 N GLU A 77 18.510 4.089 6.928 1.00 0.00 N ATOM 1220 CA GLU A 77 18.034 4.347 5.595 1.00 0.00 C ATOM 1221 C GLU A 77 17.688 3.052 4.908 1.00 0.00 C ATOM 1222 O GLU A 77 16.633 2.939 4.306 1.00 0.00 O ATOM 1223 CB GLU A 77 19.035 5.156 4.778 1.00 0.00 C ATOM 1224 CG GLU A 77 20.439 4.591 4.737 1.00 0.00 C ATOM 1225 CD GLU A 77 21.385 5.507 3.995 1.00 0.00 C ATOM 1226 OE1 GLU A 77 21.177 5.728 2.785 1.00 0.00 O ATOM 1227 OE2 GLU A 77 22.317 6.042 4.624 1.00 0.00 O ATOM 0 H GLU A 77 19.515 4.200 7.064 1.00 0.00 H new ATOM 0 HA GLU A 77 17.131 4.953 5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 77 18.664 5.239 3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 77 19.079 6.167 5.184 1.00 0.00 H new ATOM 0 HG2 GLU A 77 20.801 4.440 5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 77 20.425 3.614 4.255 1.00 0.00 H new ATOM 1234 N LYS A 78 18.529 2.050 5.049 1.00 0.00 N ATOM 1235 CA LYS A 78 18.272 0.806 4.364 1.00 0.00 C ATOM 1236 C LYS A 78 17.234 0.032 5.154 1.00 0.00 C ATOM 1237 O LYS A 78 17.473 -0.398 6.282 1.00 0.00 O ATOM 1238 CB LYS A 78 19.547 -0.028 4.222 1.00 0.00 C ATOM 1239 CG LYS A 78 20.728 0.733 3.636 1.00 0.00 C ATOM 1240 CD LYS A 78 20.458 1.236 2.228 1.00 0.00 C ATOM 1241 CE LYS A 78 20.195 0.101 1.249 1.00 0.00 C ATOM 1242 NZ LYS A 78 19.981 0.612 -0.132 1.00 0.00 N ATOM 0 H LYS A 78 19.376 2.071 5.617 1.00 0.00 H new ATOM 0 HA LYS A 78 17.908 1.021 3.359 1.00 0.00 H new ATOM 0 HB2 LYS A 78 19.827 -0.413 5.203 1.00 0.00 H new ATOM 0 HB3 LYS A 78 19.335 -0.890 3.590 1.00 0.00 H new ATOM 0 HG2 LYS A 78 20.966 1.579 4.281 1.00 0.00 H new ATOM 0 HG3 LYS A 78 21.604 0.084 3.624 1.00 0.00 H new ATOM 0 HD2 LYS A 78 19.599 1.906 2.243 1.00 0.00 H new ATOM 0 HD3 LYS A 78 21.312 1.820 1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 78 21.038 -0.590 1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 78 19.319 -0.462 1.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.087 0.236 -0.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 19.940 1.651 -0.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 20.767 0.307 -0.741 1.00 0.00 H new ATOM 1256 N ILE A 79 16.098 -0.140 4.528 1.00 0.00 N ATOM 1257 CA ILE A 79 14.970 -0.830 5.113 1.00 0.00 C ATOM 1258 C ILE A 79 14.117 -1.423 4.010 1.00 0.00 C ATOM 1259 O ILE A 79 14.127 -0.943 2.878 1.00 0.00 O ATOM 1260 CB ILE A 79 14.111 0.109 6.010 1.00 0.00 C ATOM 1261 CG1 ILE A 79 14.079 1.558 5.492 1.00 0.00 C ATOM 1262 CG2 ILE A 79 14.635 0.093 7.438 1.00 0.00 C ATOM 1263 CD1 ILE A 79 13.404 1.748 4.151 1.00 0.00 C ATOM 0 H ILE A 79 15.925 0.200 3.582 1.00 0.00 H new ATOM 0 HA ILE A 79 15.355 -1.623 5.754 1.00 0.00 H new ATOM 0 HB ILE A 79 13.091 -0.273 5.980 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.569 2.179 6.229 1.00 0.00 H new ATOM 0 HG13 ILE A 79 15.103 1.924 5.420 1.00 0.00 H new ATOM 0 HG21 ILE A 79 14.027 0.753 8.056 1.00 0.00 H new ATOM 0 HG22 ILE A 79 14.585 -0.922 7.833 1.00 0.00 H new ATOM 0 HG23 ILE A 79 15.670 0.436 7.450 1.00 0.00 H new ATOM 0 HD11 ILE A 79 13.434 2.802 3.875 1.00 0.00 H new ATOM 0 HD12 ILE A 79 13.925 1.160 3.395 1.00 0.00 H new ATOM 0 HD13 ILE A 79 12.367 1.419 4.216 1.00 0.00 H new ATOM 1275 N SER A 80 13.400 -2.473 4.311 1.00 0.00 N ATOM 1276 CA SER A 80 12.541 -3.078 3.330 1.00 0.00 C ATOM 1277 C SER A 80 11.281 -2.238 3.149 1.00 0.00 C ATOM 1278 O SER A 80 10.397 -2.223 4.003 1.00 0.00 O ATOM 1279 CB SER A 80 12.231 -4.510 3.753 1.00 0.00 C ATOM 1280 OG SER A 80 11.943 -4.577 5.144 1.00 0.00 O ATOM 0 H SER A 80 13.394 -2.926 5.225 1.00 0.00 H new ATOM 0 HA SER A 80 13.039 -3.116 2.361 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.381 -4.886 3.183 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.080 -5.154 3.522 1.00 0.00 H new ATOM 0 HG SER A 80 11.302 -3.875 5.379 1.00 0.00 H new ATOM 1286 N LYS A 81 11.238 -1.506 2.043 1.00 0.00 N ATOM 1287 CA LYS A 81 10.133 -0.611 1.735 1.00 0.00 C ATOM 1288 C LYS A 81 8.830 -1.364 1.570 1.00 0.00 C ATOM 1289 O LYS A 81 8.793 -2.418 0.938 1.00 0.00 O ATOM 1290 CB LYS A 81 10.405 0.095 0.410 1.00 0.00 C ATOM 1291 CG LYS A 81 9.569 1.343 0.190 1.00 0.00 C ATOM 1292 CD LYS A 81 10.287 2.595 0.658 1.00 0.00 C ATOM 1293 CE LYS A 81 9.611 3.839 0.106 1.00 0.00 C ATOM 1294 NZ LYS A 81 10.428 5.065 0.306 1.00 0.00 N ATOM 0 H LYS A 81 11.971 -1.517 1.334 1.00 0.00 H new ATOM 0 HA LYS A 81 10.050 0.092 2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.460 0.365 0.364 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.219 -0.603 -0.406 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.329 1.437 -0.869 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.624 1.246 0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.293 2.631 1.747 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.327 2.566 0.334 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.420 3.703 -0.958 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.643 3.968 0.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.924 5.886 -0.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.590 5.212 1.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.342 4.956 -0.178 1.00 0.00 H new ATOM 1308 N PRO A 82 7.745 -0.827 2.140 1.00 0.00 N ATOM 1309 CA PRO A 82 6.409 -1.315 1.869 1.00 0.00 C ATOM 1310 C PRO A 82 6.008 -1.001 0.436 1.00 0.00 C ATOM 1311 O PRO A 82 5.593 0.112 0.115 1.00 0.00 O ATOM 1312 CB PRO A 82 5.524 -0.570 2.862 1.00 0.00 C ATOM 1313 CG PRO A 82 6.290 0.651 3.202 1.00 0.00 C ATOM 1314 CD PRO A 82 7.745 0.280 3.101 1.00 0.00 C ATOM 0 HA PRO A 82 6.327 -2.396 1.978 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.557 -0.322 2.423 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.327 -1.174 3.748 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.048 1.465 2.518 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.046 0.996 4.207 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.350 1.116 2.751 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.150 -0.025 4.066 1.00 0.00 H new ATOM 1322 N PHE A 83 6.154 -1.987 -0.417 1.00 0.00 N ATOM 1323 CA PHE A 83 5.810 -1.842 -1.808 1.00 0.00 C ATOM 1324 C PHE A 83 4.398 -2.338 -1.998 1.00 0.00 C ATOM 1325 O PHE A 83 3.820 -2.925 -1.082 1.00 0.00 O ATOM 1326 CB PHE A 83 6.807 -2.579 -2.701 1.00 0.00 C ATOM 1327 CG PHE A 83 8.132 -1.873 -2.817 1.00 0.00 C ATOM 1328 CD1 PHE A 83 8.210 -0.605 -3.371 1.00 0.00 C ATOM 1329 CD2 PHE A 83 9.298 -2.476 -2.381 1.00 0.00 C ATOM 1330 CE1 PHE A 83 9.424 0.045 -3.486 1.00 0.00 C ATOM 1331 CE2 PHE A 83 10.513 -1.833 -2.496 1.00 0.00 C ATOM 1332 CZ PHE A 83 10.578 -0.571 -3.049 1.00 0.00 C ATOM 0 H PHE A 83 6.513 -2.908 -0.166 1.00 0.00 H new ATOM 0 HA PHE A 83 5.861 -0.794 -2.102 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.970 -3.581 -2.304 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.377 -2.697 -3.696 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.310 -0.119 -3.717 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.257 -3.463 -1.945 1.00 0.00 H new ATOM 0 HE1 PHE A 83 9.469 1.034 -3.917 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.415 -2.318 -2.153 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.529 -0.067 -3.139 1.00 0.00 H new ATOM 1342 N VAL A 84 3.853 -2.154 -3.184 1.00 0.00 N ATOM 1343 CA VAL A 84 2.409 -2.242 -3.374 1.00 0.00 C ATOM 1344 C VAL A 84 2.147 -2.418 -4.864 1.00 0.00 C ATOM 1345 O VAL A 84 3.081 -2.326 -5.664 1.00 0.00 O ATOM 1346 CB VAL A 84 1.616 -0.993 -2.860 1.00 0.00 C ATOM 1347 CG1 VAL A 84 0.279 -1.401 -2.314 1.00 0.00 C ATOM 1348 CG2 VAL A 84 2.366 -0.219 -1.794 1.00 0.00 C ATOM 0 H VAL A 84 4.381 -1.943 -4.031 1.00 0.00 H new ATOM 0 HA VAL A 84 2.055 -3.086 -2.783 1.00 0.00 H new ATOM 0 HB VAL A 84 1.487 -0.340 -3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.255 -0.518 -1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.301 -1.888 -3.098 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.421 -2.094 -1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.768 0.635 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.555 -0.868 -0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.315 0.133 -2.200 1.00 0.00 H new ATOM 1358 N LYS A 85 0.896 -2.640 -5.234 1.00 0.00 N ATOM 1359 CA LYS A 85 0.535 -2.806 -6.636 1.00 0.00 C ATOM 1360 C LYS A 85 -0.975 -2.942 -6.803 1.00 0.00 C ATOM 1361 O LYS A 85 -1.540 -4.016 -6.582 1.00 0.00 O ATOM 1362 CB LYS A 85 1.245 -4.054 -7.197 1.00 0.00 C ATOM 1363 CG LYS A 85 0.715 -4.550 -8.535 1.00 0.00 C ATOM 1364 CD LYS A 85 1.014 -3.596 -9.678 1.00 0.00 C ATOM 1365 CE LYS A 85 0.425 -4.123 -10.972 1.00 0.00 C ATOM 1366 NZ LYS A 85 0.722 -3.241 -12.126 1.00 0.00 N ATOM 0 H LYS A 85 0.113 -2.710 -4.585 1.00 0.00 H new ATOM 0 HA LYS A 85 0.853 -1.921 -7.187 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.307 -3.832 -7.304 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.160 -4.860 -6.468 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.154 -5.523 -8.756 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.363 -4.696 -8.462 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.601 -2.612 -9.457 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.092 -3.472 -9.785 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.819 -5.120 -11.169 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.655 -4.223 -10.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.299 -3.642 -12.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.323 -2.296 -11.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.752 -3.165 -12.249 1.00 0.00 H new ATOM 1380 N LYS A 86 -1.631 -1.835 -7.152 1.00 0.00 N ATOM 1381 CA LYS A 86 -3.009 -1.882 -7.628 1.00 0.00 C ATOM 1382 C LYS A 86 -3.166 -2.809 -8.833 1.00 0.00 C ATOM 1383 O LYS A 86 -2.942 -2.425 -9.981 1.00 0.00 O ATOM 1384 CB LYS A 86 -3.503 -0.462 -7.947 1.00 0.00 C ATOM 1385 CG LYS A 86 -4.839 -0.426 -8.671 1.00 0.00 C ATOM 1386 CD LYS A 86 -5.189 0.975 -9.153 1.00 0.00 C ATOM 1387 CE LYS A 86 -5.429 1.937 -8.001 1.00 0.00 C ATOM 1388 NZ LYS A 86 -5.728 3.312 -8.489 1.00 0.00 N ATOM 0 H LYS A 86 -1.229 -0.898 -7.113 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.628 -2.297 -6.832 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.589 0.100 -7.017 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.755 0.044 -8.558 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.808 -1.105 -9.523 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.622 -0.786 -8.004 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.381 1.354 -9.778 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.081 0.930 -9.778 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.259 1.578 -7.393 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.550 1.962 -7.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.886 3.942 -7.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.925 3.664 -9.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.582 3.292 -9.083 1.00 0.00 H new ATOM 1402 N GLU A 87 -3.511 -4.050 -8.528 1.00 0.00 N ATOM 1403 CA GLU A 87 -3.808 -5.047 -9.550 1.00 0.00 C ATOM 1404 C GLU A 87 -5.240 -4.921 -10.060 1.00 0.00 C ATOM 1405 O GLU A 87 -5.582 -5.497 -11.095 1.00 0.00 O ATOM 1406 CB GLU A 87 -3.571 -6.468 -9.035 1.00 0.00 C ATOM 1407 CG GLU A 87 -4.303 -6.797 -7.753 1.00 0.00 C ATOM 1408 CD GLU A 87 -4.274 -8.280 -7.428 1.00 0.00 C ATOM 1409 OE1 GLU A 87 -3.217 -8.918 -7.622 1.00 0.00 O ATOM 1410 OE2 GLU A 87 -5.320 -8.821 -7.006 1.00 0.00 O ATOM 0 H GLU A 87 -3.593 -4.395 -7.572 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.125 -4.856 -10.378 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.876 -7.176 -9.805 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.502 -6.610 -8.876 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.855 -6.240 -6.930 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.339 -6.467 -7.835 1.00 0.00 H new ATOM 1417 N ARG A 88 -6.060 -4.133 -9.366 1.00 0.00 N ATOM 1418 CA ARG A 88 -7.482 -4.056 -9.691 1.00 0.00 C ATOM 1419 C ARG A 88 -8.208 -3.041 -8.823 1.00 0.00 C ATOM 1420 O ARG A 88 -7.623 -2.428 -7.927 1.00 0.00 O ATOM 1421 CB ARG A 88 -8.142 -5.428 -9.531 1.00 0.00 C ATOM 1422 CG ARG A 88 -8.037 -5.993 -8.127 1.00 0.00 C ATOM 1423 CD ARG A 88 -8.522 -7.427 -8.069 1.00 0.00 C ATOM 1424 NE ARG A 88 -9.955 -7.547 -8.322 1.00 0.00 N ATOM 1425 CZ ARG A 88 -10.734 -8.457 -7.739 1.00 0.00 C ATOM 1426 NH1 ARG A 88 -10.227 -9.287 -6.832 1.00 0.00 N ATOM 1427 NH2 ARG A 88 -12.020 -8.529 -8.060 1.00 0.00 N ATOM 0 H ARG A 88 -5.768 -3.546 -8.585 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.557 -3.731 -10.729 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -9.194 -5.350 -9.804 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -7.682 -6.127 -10.230 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -7.001 -5.944 -7.790 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -8.624 -5.381 -7.442 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -7.977 -8.021 -8.802 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -8.294 -7.844 -7.088 1.00 0.00 H new ATOM 0 HE ARG A 88 -10.384 -6.898 -8.982 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -9.240 -9.228 -6.582 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -10.825 -9.983 -6.387 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -12.410 -7.888 -8.752 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -12.619 -9.225 -7.615 1.00 0.00 H new ATOM 1441 N ILE A 89 -9.491 -2.880 -9.109 1.00 0.00 N ATOM 1442 CA ILE A 89 -10.362 -1.994 -8.358 1.00 0.00 C ATOM 1443 C ILE A 89 -11.688 -2.693 -8.087 1.00 0.00 C ATOM 1444 O ILE A 89 -12.248 -3.355 -8.963 1.00 0.00 O ATOM 1445 CB ILE A 89 -10.608 -0.654 -9.103 1.00 0.00 C ATOM 1446 CG1 ILE A 89 -9.346 0.212 -9.076 1.00 0.00 C ATOM 1447 CG2 ILE A 89 -11.786 0.109 -8.504 1.00 0.00 C ATOM 1448 CD1 ILE A 89 -8.887 0.575 -7.680 1.00 0.00 C ATOM 0 H ILE A 89 -9.959 -3.365 -9.875 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.868 -1.757 -7.416 1.00 0.00 H new ATOM 0 HB ILE A 89 -10.853 -0.890 -10.138 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.542 -0.317 -9.587 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.532 1.128 -9.637 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -11.930 1.042 -9.049 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.688 -0.498 -8.578 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.582 0.329 -7.456 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.988 1.189 -7.741 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.674 1.133 -7.172 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -8.668 -0.335 -7.121 1.00 0.00 H new ATOM 1460 N GLU A 90 -12.174 -2.549 -6.872 1.00 0.00 N ATOM 1461 CA GLU A 90 -13.402 -3.203 -6.463 1.00 0.00 C ATOM 1462 C GLU A 90 -14.551 -2.224 -6.333 1.00 0.00 C ATOM 1463 O GLU A 90 -14.357 -1.048 -6.055 1.00 0.00 O ATOM 1464 CB GLU A 90 -13.233 -3.922 -5.136 1.00 0.00 C ATOM 1465 CG GLU A 90 -12.502 -5.239 -5.233 1.00 0.00 C ATOM 1466 CD GLU A 90 -12.656 -6.038 -3.964 1.00 0.00 C ATOM 1467 OE1 GLU A 90 -11.876 -5.812 -3.017 1.00 0.00 O ATOM 1468 OE2 GLU A 90 -13.584 -6.871 -3.902 1.00 0.00 O ATOM 0 H GLU A 90 -11.736 -1.982 -6.146 1.00 0.00 H new ATOM 0 HA GLU A 90 -13.633 -3.924 -7.247 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.694 -3.270 -4.449 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.218 -4.097 -4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.888 -5.812 -6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -11.445 -5.059 -5.427 1.00 0.00 H new ATOM 1475 N LYS A 91 -15.742 -2.735 -6.553 1.00 0.00 N ATOM 1476 CA LYS A 91 -16.964 -2.055 -6.219 1.00 0.00 C ATOM 1477 C LYS A 91 -17.614 -2.810 -5.076 1.00 0.00 C ATOM 1478 O LYS A 91 -17.210 -3.938 -4.786 1.00 0.00 O ATOM 1479 CB LYS A 91 -17.884 -2.058 -7.427 1.00 0.00 C ATOM 1480 CG LYS A 91 -17.790 -0.808 -8.284 1.00 0.00 C ATOM 1481 CD LYS A 91 -18.746 -0.876 -9.465 1.00 0.00 C ATOM 1482 CE LYS A 91 -20.183 -1.078 -9.008 1.00 0.00 C ATOM 1483 NZ LYS A 91 -21.131 -1.131 -10.152 1.00 0.00 N ATOM 0 H LYS A 91 -15.886 -3.652 -6.977 1.00 0.00 H new ATOM 0 HA LYS A 91 -16.768 -1.023 -5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -17.652 -2.926 -8.044 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -18.913 -2.175 -7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -18.018 0.069 -7.678 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -16.769 -0.688 -8.646 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -18.674 0.043 -10.046 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -18.454 -1.694 -10.124 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -20.254 -2.003 -8.435 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -20.468 -0.266 -8.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -22.098 -1.270 -9.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -21.083 -0.239 -10.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -20.876 -1.922 -10.778 1.00 0.00 H new