USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=18 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 38 THR OG1 : rot 180:sc= 0.453 USER MOD Set 1.2: A 41 ASN : amide:sc= -0.259 K(o=0.19,f=-0.37) USER MOD Single : A 3 THR OG1 : rot 160:sc= -1.61 USER MOD Single : A 5 ASN :FLIP amide:sc= -1.36 F(o=-4!,f=-1.4) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.0155 F(o=-0.66,f=-0.015) USER MOD Single : A 16 HIS : no HD1:sc= 0.903 K(o=0.9,f=-4.8!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00977) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.0197 F(o=-1.2!,f=-0.02) USER MOD Single : A 26 GLN : amide:sc= -1.37 K(o=-1.4,f=-3.2!) USER MOD Single : A 30 LYS NZ :NH3+ 152:sc= -0.275 (180deg=-0.99) USER MOD Single : A 33 ASN : amide:sc= -0.305 X(o=-0.31,f=-0.41) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -50:sc= -1.09! USER MOD Single : A 53 LYS NZ :NH3+ 149:sc= -0.295 (180deg=-1.41!) USER MOD Single : A 54 LYS NZ :NH3+ -178:sc= 1.13 (180deg=1.1) USER MOD Single : A 56 HIS : +bothHN:sc= -4.9! C(o=-4.9!,f=-18!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -170:sc= 1.21 (180deg=1.11) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.0868 K(o=-0.087,f=-2.1!) USER MOD Single : A 75 MET CE :methyl 160:sc= -0.822 (180deg=-1.86) USER MOD Single : A 78 LYS NZ :NH3+ 168:sc=-0.00411 (180deg=-0.128) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0744) 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 -3.438 15.296 1.957 1.00 0.00 N ATOM 26 CA THR A 3 -3.522 13.857 1.852 1.00 0.00 C ATOM 27 C THR A 3 -4.913 13.363 2.263 1.00 0.00 C ATOM 28 O THR A 3 -5.385 13.625 3.371 1.00 0.00 O ATOM 29 CB THR A 3 -2.419 13.174 2.688 1.00 0.00 C ATOM 30 OG1 THR A 3 -2.563 11.762 2.638 1.00 0.00 O ATOM 31 CG2 THR A 3 -2.445 13.625 4.132 1.00 0.00 C ATOM 0 HA THR A 3 -3.362 13.584 0.809 1.00 0.00 H new ATOM 0 HB THR A 3 -1.462 13.465 2.255 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.714 11.338 2.883 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.653 13.120 4.685 1.00 0.00 H new ATOM 0 HG22 THR A 3 -2.291 14.703 4.179 1.00 0.00 H new ATOM 0 HG23 THR A 3 -3.410 13.377 4.573 1.00 0.00 H new ATOM 39 N ARG A 4 -5.575 12.682 1.337 1.00 0.00 N ATOM 40 CA ARG A 4 -6.922 12.175 1.591 1.00 0.00 C ATOM 41 C ARG A 4 -6.912 10.825 2.278 1.00 0.00 C ATOM 42 O ARG A 4 -6.007 10.009 2.084 1.00 0.00 O ATOM 43 CB ARG A 4 -7.688 12.090 0.262 1.00 0.00 C ATOM 44 CG ARG A 4 -6.898 11.461 -0.880 1.00 0.00 C ATOM 45 CD ARG A 4 -7.396 11.960 -2.222 1.00 0.00 C ATOM 46 NE ARG A 4 -8.819 11.676 -2.424 1.00 0.00 N ATOM 47 CZ ARG A 4 -9.668 12.495 -3.045 1.00 0.00 C ATOM 48 NH1 ARG A 4 -9.249 13.649 -3.546 1.00 0.00 N ATOM 49 NH2 ARG A 4 -10.941 12.147 -3.173 1.00 0.00 N ATOM 0 H ARG A 4 -5.207 12.468 0.410 1.00 0.00 H new ATOM 0 HA ARG A 4 -7.419 12.869 2.269 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.600 11.513 0.418 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.993 13.094 -0.033 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.840 11.698 -0.769 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.988 10.376 -0.835 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -7.228 13.035 -2.293 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -6.817 11.493 -3.019 1.00 0.00 H new ATOM 0 HE ARG A 4 -9.184 10.794 -2.066 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -8.269 13.917 -3.458 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -9.907 14.268 -4.019 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -11.267 11.256 -2.797 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -11.595 12.770 -3.647 1.00 0.00 H new ATOM 63 N ASN A 5 -7.914 10.633 3.136 1.00 0.00 N ATOM 64 CA ASN A 5 -7.988 9.481 4.012 1.00 0.00 C ATOM 65 C ASN A 5 -8.619 8.292 3.316 1.00 0.00 C ATOM 66 O ASN A 5 -9.515 8.440 2.487 1.00 0.00 O ATOM 67 CB ASN A 5 -8.835 9.795 5.251 1.00 0.00 C ATOM 68 CG ASN A 5 -8.415 11.040 6.010 1.00 0.00 C ATOM 69 OD1 ASN A 5 -7.171 11.434 5.862 1.00 0.00 O flip ATOM 70 ND2 ASN A 5 -9.221 11.655 6.709 1.00 0.00 N flip ATOM 0 H ASN A 5 -8.697 11.279 3.238 1.00 0.00 H new ATOM 0 HA ASN A 5 -6.964 9.241 4.297 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.875 9.907 4.944 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.793 8.942 5.928 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.179 11.318 6.799 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.930 12.502 7.198 1.00 0.00 H new ATOM 77 N PHE A 6 -8.160 7.113 3.686 1.00 0.00 N ATOM 78 CA PHE A 6 -8.727 5.870 3.210 1.00 0.00 C ATOM 79 C PHE A 6 -8.874 4.922 4.387 1.00 0.00 C ATOM 80 O PHE A 6 -8.114 5.006 5.350 1.00 0.00 O ATOM 81 CB PHE A 6 -7.836 5.250 2.131 1.00 0.00 C ATOM 82 CG PHE A 6 -7.766 6.065 0.870 1.00 0.00 C ATOM 83 CD1 PHE A 6 -6.956 7.187 0.790 1.00 0.00 C ATOM 84 CD2 PHE A 6 -8.513 5.710 -0.232 1.00 0.00 C ATOM 85 CE1 PHE A 6 -6.897 7.937 -0.367 1.00 0.00 C ATOM 86 CE2 PHE A 6 -8.459 6.452 -1.395 1.00 0.00 C ATOM 87 CZ PHE A 6 -7.647 7.569 -1.464 1.00 0.00 C ATOM 0 H PHE A 6 -7.378 6.991 4.330 1.00 0.00 H new ATOM 0 HA PHE A 6 -9.704 6.060 2.765 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -6.829 5.125 2.530 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -8.209 4.255 1.891 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -6.363 7.478 1.644 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -9.150 4.839 -0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -6.264 8.811 -0.413 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -9.051 6.160 -2.250 1.00 0.00 H new ATOM 0 HZ PHE A 6 -7.600 8.151 -2.373 1.00 0.00 H new ATOM 97 N VAL A 7 -9.855 4.045 4.328 1.00 0.00 N ATOM 98 CA VAL A 7 -10.065 3.079 5.388 1.00 0.00 C ATOM 99 C VAL A 7 -9.630 1.718 4.887 1.00 0.00 C ATOM 100 O VAL A 7 -9.948 1.354 3.749 1.00 0.00 O ATOM 101 CB VAL A 7 -11.548 2.998 5.805 1.00 0.00 C ATOM 102 CG1 VAL A 7 -11.680 2.386 7.185 1.00 0.00 C ATOM 103 CG2 VAL A 7 -12.215 4.366 5.746 1.00 0.00 C ATOM 0 H VAL A 7 -10.520 3.981 3.557 1.00 0.00 H new ATOM 0 HA VAL A 7 -9.485 3.391 6.256 1.00 0.00 H new ATOM 0 HB VAL A 7 -12.063 2.352 5.094 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -12.733 2.337 7.462 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -11.259 1.380 7.179 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -11.143 3.000 7.908 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.259 4.275 6.046 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -11.702 5.050 6.422 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.162 4.753 4.728 1.00 0.00 H new ATOM 113 N LEU A 8 -8.917 0.960 5.706 1.00 0.00 N ATOM 114 CA LEU A 8 -8.415 -0.323 5.259 1.00 0.00 C ATOM 115 C LEU A 8 -9.507 -1.359 5.388 1.00 0.00 C ATOM 116 O LEU A 8 -10.080 -1.554 6.462 1.00 0.00 O ATOM 117 CB LEU A 8 -7.199 -0.759 6.056 1.00 0.00 C ATOM 118 CG LEU A 8 -6.399 -1.880 5.405 1.00 0.00 C ATOM 119 CD1 LEU A 8 -5.382 -1.304 4.441 1.00 0.00 C ATOM 120 CD2 LEU A 8 -5.733 -2.747 6.454 1.00 0.00 C ATOM 0 H LEU A 8 -8.678 1.208 6.666 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.111 -0.224 4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.546 0.101 6.202 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.523 -1.085 7.044 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.082 -2.515 4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.816 -2.115 3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.896 -0.736 3.666 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.701 -0.646 4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.168 -3.540 5.965 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.058 -2.138 7.055 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.494 -3.188 7.098 1.00 0.00 H new ATOM 132 N ARG A 9 -9.785 -2.016 4.291 1.00 0.00 N ATOM 133 CA ARG A 9 -10.953 -2.859 4.187 1.00 0.00 C ATOM 134 C ARG A 9 -10.661 -4.343 4.340 1.00 0.00 C ATOM 135 O ARG A 9 -9.520 -4.802 4.285 1.00 0.00 O ATOM 136 CB ARG A 9 -11.681 -2.620 2.866 1.00 0.00 C ATOM 137 CG ARG A 9 -13.042 -1.967 3.048 1.00 0.00 C ATOM 138 CD ARG A 9 -13.978 -2.272 1.889 1.00 0.00 C ATOM 139 NE ARG A 9 -14.247 -3.706 1.776 1.00 0.00 N ATOM 140 CZ ARG A 9 -15.059 -4.263 0.876 1.00 0.00 C ATOM 141 NH1 ARG A 9 -15.729 -3.518 0.002 1.00 0.00 N ATOM 142 NH2 ARG A 9 -15.213 -5.578 0.867 1.00 0.00 N ATOM 0 H ARG A 9 -9.213 -1.984 3.447 1.00 0.00 H new ATOM 0 HA ARG A 9 -11.588 -2.573 5.026 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.064 -1.989 2.226 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.807 -3.571 2.349 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.490 -2.316 3.978 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.917 -0.888 3.140 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.916 -1.735 2.028 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.538 -1.910 0.960 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.778 -4.327 2.436 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -15.626 -2.503 0.013 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -16.345 -3.961 -0.679 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -14.713 -6.155 1.544 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.831 -6.014 0.183 1.00 0.00 H new ATOM 156 N ASP A 10 -11.758 -5.054 4.516 1.00 0.00 N ATOM 157 CA ASP A 10 -11.762 -6.491 4.584 1.00 0.00 C ATOM 158 C ASP A 10 -12.896 -7.007 3.718 1.00 0.00 C ATOM 159 O ASP A 10 -13.614 -6.208 3.107 1.00 0.00 O ATOM 160 CB ASP A 10 -11.865 -7.030 6.011 1.00 0.00 C ATOM 161 CG ASP A 10 -12.936 -6.384 6.861 1.00 0.00 C ATOM 162 OD1 ASP A 10 -13.959 -5.946 6.315 1.00 0.00 O ATOM 163 OD2 ASP A 10 -12.757 -6.331 8.096 1.00 0.00 O ATOM 0 H ASP A 10 -12.683 -4.637 4.617 1.00 0.00 H new ATOM 0 HA ASP A 10 -10.803 -6.853 4.212 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.055 -8.102 5.966 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.902 -6.898 6.504 1.00 0.00 H new ATOM 168 N GLU A 11 -13.026 -8.316 3.631 1.00 0.00 N ATOM 169 CA GLU A 11 -14.134 -8.947 2.910 1.00 0.00 C ATOM 170 C GLU A 11 -15.498 -8.323 3.237 1.00 0.00 C ATOM 171 O GLU A 11 -16.351 -8.186 2.358 1.00 0.00 O ATOM 172 CB GLU A 11 -14.163 -10.440 3.218 1.00 0.00 C ATOM 173 CG GLU A 11 -14.276 -10.746 4.698 1.00 0.00 C ATOM 174 CD GLU A 11 -14.233 -12.226 4.988 1.00 0.00 C ATOM 175 OE1 GLU A 11 -15.264 -12.903 4.797 1.00 0.00 O ATOM 176 OE2 GLU A 11 -13.167 -12.719 5.404 1.00 0.00 O ATOM 0 H GLU A 11 -12.374 -8.977 4.053 1.00 0.00 H new ATOM 0 HA GLU A 11 -13.957 -8.781 1.847 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.004 -10.895 2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.257 -10.902 2.827 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.464 -10.251 5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.208 -10.331 5.081 1.00 0.00 H new ATOM 183 N ASP A 12 -15.684 -7.916 4.484 1.00 0.00 N ATOM 184 CA ASP A 12 -16.993 -7.458 4.955 1.00 0.00 C ATOM 185 C ASP A 12 -17.162 -5.942 4.817 1.00 0.00 C ATOM 186 O ASP A 12 -18.232 -5.460 4.442 1.00 0.00 O ATOM 187 CB ASP A 12 -17.188 -7.883 6.413 1.00 0.00 C ATOM 188 CG ASP A 12 -18.480 -7.367 7.014 1.00 0.00 C ATOM 189 OD1 ASP A 12 -19.559 -7.872 6.642 1.00 0.00 O ATOM 190 OD2 ASP A 12 -18.419 -6.464 7.871 1.00 0.00 O ATOM 0 H ASP A 12 -14.949 -7.892 5.191 1.00 0.00 H new ATOM 0 HA ASP A 12 -17.754 -7.922 4.328 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -17.175 -8.971 6.473 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -16.348 -7.521 7.006 1.00 0.00 H new ATOM 195 N GLY A 13 -16.105 -5.197 5.112 1.00 0.00 N ATOM 196 CA GLY A 13 -16.145 -3.756 4.933 1.00 0.00 C ATOM 197 C GLY A 13 -15.900 -2.995 6.223 1.00 0.00 C ATOM 198 O GLY A 13 -16.446 -1.908 6.422 1.00 0.00 O ATOM 0 H GLY A 13 -15.223 -5.562 5.471 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -15.395 -3.465 4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -17.116 -3.472 4.528 1.00 0.00 H new ATOM 202 N ASN A 14 -15.076 -3.557 7.095 1.00 0.00 N ATOM 203 CA ASN A 14 -14.788 -2.936 8.386 1.00 0.00 C ATOM 204 C ASN A 14 -13.632 -1.952 8.253 1.00 0.00 C ATOM 205 O ASN A 14 -13.152 -1.689 7.149 1.00 0.00 O ATOM 206 CB ASN A 14 -14.448 -3.994 9.438 1.00 0.00 C ATOM 207 CG ASN A 14 -15.575 -4.984 9.659 1.00 0.00 C ATOM 208 OD1 ASN A 14 -15.544 -6.089 8.933 1.00 0.00 O flip ATOM 209 ND2 ASN A 14 -16.459 -4.764 10.490 1.00 0.00 N flip ATOM 0 H ASN A 14 -14.594 -4.441 6.935 1.00 0.00 H new ATOM 0 HA ASN A 14 -15.681 -2.400 8.709 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -13.552 -4.533 9.129 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -14.214 -3.500 10.381 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -16.447 -3.899 11.030 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -17.202 -5.447 10.637 1.00 0.00 H new ATOM 216 N GLU A 15 -13.186 -1.419 9.383 1.00 0.00 N ATOM 217 CA GLU A 15 -12.149 -0.422 9.405 1.00 0.00 C ATOM 218 C GLU A 15 -10.888 -0.984 10.057 1.00 0.00 C ATOM 219 O GLU A 15 -10.848 -1.213 11.268 1.00 0.00 O ATOM 220 CB GLU A 15 -12.661 0.805 10.163 1.00 0.00 C ATOM 221 CG GLU A 15 -11.559 1.668 10.723 1.00 0.00 C ATOM 222 CD GLU A 15 -12.076 2.815 11.565 1.00 0.00 C ATOM 223 OE1 GLU A 15 -12.267 2.623 12.784 1.00 0.00 O ATOM 224 OE2 GLU A 15 -12.296 3.918 11.016 1.00 0.00 O ATOM 0 H GLU A 15 -13.540 -1.673 10.305 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.891 -0.131 8.387 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.277 1.405 9.493 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.304 0.476 10.979 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.894 1.051 11.328 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.964 2.067 9.901 1.00 0.00 H new ATOM 231 N HIS A 16 -9.870 -1.239 9.248 1.00 0.00 N ATOM 232 CA HIS A 16 -8.583 -1.690 9.759 1.00 0.00 C ATOM 233 C HIS A 16 -7.598 -0.543 9.768 1.00 0.00 C ATOM 234 O HIS A 16 -6.685 -0.469 8.951 1.00 0.00 O ATOM 235 CB HIS A 16 -8.025 -2.827 8.936 1.00 0.00 C ATOM 236 CG HIS A 16 -8.827 -4.083 9.011 1.00 0.00 C ATOM 237 ND1 HIS A 16 -8.559 -5.096 9.898 1.00 0.00 N ATOM 238 CD2 HIS A 16 -9.907 -4.480 8.311 1.00 0.00 C ATOM 239 CE1 HIS A 16 -9.446 -6.057 9.736 1.00 0.00 C ATOM 240 NE2 HIS A 16 -10.275 -5.708 8.781 1.00 0.00 N ATOM 0 H HIS A 16 -9.910 -1.141 8.233 1.00 0.00 H new ATOM 0 HA HIS A 16 -8.740 -2.051 10.776 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.961 -2.511 7.895 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.008 -3.037 9.268 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.394 -3.927 7.521 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -9.484 -6.979 10.297 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -11.063 -6.262 8.445 1.00 0.00 H new ATOM 249 N GLY A 17 -7.774 0.315 10.731 1.00 0.00 N ATOM 250 CA GLY A 17 -7.030 1.549 10.790 1.00 0.00 C ATOM 251 C GLY A 17 -7.444 2.539 9.717 1.00 0.00 C ATOM 252 O GLY A 17 -7.949 2.159 8.655 1.00 0.00 O ATOM 0 H GLY A 17 -8.434 0.184 11.497 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.168 2.004 11.771 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.967 1.332 10.687 1.00 0.00 H new ATOM 256 N VAL A 18 -7.257 3.814 10.004 1.00 0.00 N ATOM 257 CA VAL A 18 -7.448 4.847 9.005 1.00 0.00 C ATOM 258 C VAL A 18 -6.095 5.211 8.411 1.00 0.00 C ATOM 259 O VAL A 18 -5.097 5.299 9.129 1.00 0.00 O ATOM 260 CB VAL A 18 -8.143 6.103 9.589 1.00 0.00 C ATOM 261 CG1 VAL A 18 -7.339 6.699 10.737 1.00 0.00 C ATOM 262 CG2 VAL A 18 -8.381 7.141 8.502 1.00 0.00 C ATOM 0 H VAL A 18 -6.973 4.158 10.921 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.106 4.459 8.228 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.109 5.793 9.987 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.854 7.578 11.124 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.236 5.960 11.531 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.351 6.986 10.378 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.870 8.014 8.934 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.427 7.437 8.067 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.017 6.716 7.726 1.00 0.00 H new ATOM 272 N PHE A 19 -6.049 5.410 7.108 1.00 0.00 N ATOM 273 CA PHE A 19 -4.795 5.668 6.427 1.00 0.00 C ATOM 274 C PHE A 19 -4.895 6.973 5.672 1.00 0.00 C ATOM 275 O PHE A 19 -5.981 7.379 5.265 1.00 0.00 O ATOM 276 CB PHE A 19 -4.450 4.527 5.456 1.00 0.00 C ATOM 277 CG PHE A 19 -4.063 3.246 6.142 1.00 0.00 C ATOM 278 CD1 PHE A 19 -5.009 2.475 6.800 1.00 0.00 C ATOM 279 CD2 PHE A 19 -2.744 2.833 6.152 1.00 0.00 C ATOM 280 CE1 PHE A 19 -4.646 1.310 7.448 1.00 0.00 C ATOM 281 CE2 PHE A 19 -2.372 1.673 6.799 1.00 0.00 C ATOM 282 CZ PHE A 19 -3.324 0.908 7.451 1.00 0.00 C ATOM 0 H PHE A 19 -6.867 5.398 6.499 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.001 5.731 7.171 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.308 4.339 4.811 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.631 4.846 4.811 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.042 2.789 6.806 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.996 3.426 5.647 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.394 0.715 7.951 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.338 1.361 6.797 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.035 0.001 7.960 1.00 0.00 H new ATOM 292 N THR A 20 -3.774 7.641 5.506 1.00 0.00 N ATOM 293 CA THR A 20 -3.721 8.820 4.681 1.00 0.00 C ATOM 294 C THR A 20 -2.849 8.539 3.480 1.00 0.00 C ATOM 295 O THR A 20 -1.874 7.788 3.571 1.00 0.00 O ATOM 296 CB THR A 20 -3.158 10.038 5.436 1.00 0.00 C ATOM 297 OG1 THR A 20 -1.937 9.690 6.107 1.00 0.00 O ATOM 298 CG2 THR A 20 -4.153 10.563 6.448 1.00 0.00 C ATOM 0 H THR A 20 -2.885 7.383 5.935 1.00 0.00 H new ATOM 0 HA THR A 20 -4.740 9.060 4.379 1.00 0.00 H new ATOM 0 HB THR A 20 -2.961 10.819 4.701 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.589 10.474 6.581 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.727 11.423 6.965 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.068 10.864 5.937 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.382 9.781 7.172 1.00 0.00 H new ATOM 306 N GLY A 21 -3.198 9.114 2.361 1.00 0.00 N ATOM 307 CA GLY A 21 -2.375 8.974 1.194 1.00 0.00 C ATOM 308 C GLY A 21 -2.576 10.126 0.257 1.00 0.00 C ATOM 309 O GLY A 21 -3.704 10.565 0.039 1.00 0.00 O ATOM 0 H GLY A 21 -4.038 9.678 2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.327 8.918 1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.614 8.040 0.685 1.00 0.00 H new ATOM 313 N LYS A 22 -1.484 10.653 -0.266 1.00 0.00 N ATOM 314 CA LYS A 22 -1.557 11.747 -1.217 1.00 0.00 C ATOM 315 C LYS A 22 -2.092 11.206 -2.543 1.00 0.00 C ATOM 316 O LYS A 22 -2.405 11.952 -3.469 1.00 0.00 O ATOM 317 CB LYS A 22 -0.180 12.387 -1.385 1.00 0.00 C ATOM 318 CG LYS A 22 -0.229 13.804 -1.932 1.00 0.00 C ATOM 319 CD LYS A 22 1.015 14.584 -1.548 1.00 0.00 C ATOM 320 CE LYS A 22 2.277 13.975 -2.138 1.00 0.00 C ATOM 321 NZ LYS A 22 2.357 14.163 -3.611 1.00 0.00 N ATOM 0 H LYS A 22 -0.537 10.342 -0.049 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.233 12.521 -0.855 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.327 12.397 -0.420 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.419 11.769 -2.054 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.322 13.774 -3.018 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.113 14.314 -1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.916 15.614 -1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.102 14.615 -0.462 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.150 14.427 -1.668 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.306 12.910 -1.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.264 13.792 -3.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.575 13.652 -4.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.288 15.176 -3.836 1.00 0.00 H new ATOM 335 N GLN A 23 -2.182 9.881 -2.596 1.00 0.00 N ATOM 336 CA GLN A 23 -2.788 9.157 -3.697 1.00 0.00 C ATOM 337 C GLN A 23 -3.148 7.760 -3.195 1.00 0.00 C ATOM 338 O GLN A 23 -2.489 7.238 -2.296 1.00 0.00 O ATOM 339 CB GLN A 23 -1.815 9.036 -4.872 1.00 0.00 C ATOM 340 CG GLN A 23 -2.492 8.756 -6.204 1.00 0.00 C ATOM 341 CD GLN A 23 -1.512 8.448 -7.324 1.00 0.00 C ATOM 342 OE1 GLN A 23 -0.385 7.831 -6.991 1.00 0.00 O flip ATOM 343 NE2 GLN A 23 -1.780 8.743 -8.489 1.00 0.00 N flip ATOM 0 H GLN A 23 -1.827 9.273 -1.858 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.673 9.692 -4.043 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.242 9.960 -4.954 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.104 8.237 -4.662 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.175 7.915 -6.087 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.095 9.619 -6.486 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.657 9.217 -8.706 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.125 8.513 -9.237 1.00 0.00 H new ATOM 352 N PRO A 24 -4.220 7.167 -3.748 1.00 0.00 N ATOM 353 CA PRO A 24 -4.642 5.773 -3.494 1.00 0.00 C ATOM 354 C PRO A 24 -3.515 4.731 -3.492 1.00 0.00 C ATOM 355 O PRO A 24 -3.723 3.609 -3.040 1.00 0.00 O ATOM 356 CB PRO A 24 -5.577 5.494 -4.667 1.00 0.00 C ATOM 357 CG PRO A 24 -6.202 6.807 -4.970 1.00 0.00 C ATOM 358 CD PRO A 24 -5.167 7.856 -4.639 1.00 0.00 C ATOM 0 HA PRO A 24 -5.074 5.687 -2.497 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.030 5.108 -5.527 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.328 4.748 -4.406 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.494 6.866 -6.019 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.106 6.953 -4.379 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.672 8.223 -5.538 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.618 8.719 -4.149 1.00 0.00 H new ATOM 366 N ARG A 25 -2.319 5.124 -3.912 1.00 0.00 N ATOM 367 CA ARG A 25 -1.215 4.195 -4.035 1.00 0.00 C ATOM 368 C ARG A 25 -0.393 4.309 -2.768 1.00 0.00 C ATOM 369 O ARG A 25 -0.024 3.318 -2.157 1.00 0.00 O ATOM 370 CB ARG A 25 -0.342 4.513 -5.249 1.00 0.00 C ATOM 371 CG ARG A 25 0.718 3.454 -5.509 1.00 0.00 C ATOM 372 CD ARG A 25 1.579 3.788 -6.713 1.00 0.00 C ATOM 373 NE ARG A 25 2.208 2.589 -7.274 1.00 0.00 N ATOM 374 CZ ARG A 25 3.523 2.372 -7.315 1.00 0.00 C ATOM 375 NH1 ARG A 25 4.364 3.235 -6.757 1.00 0.00 N ATOM 376 NH2 ARG A 25 3.989 1.270 -7.892 1.00 0.00 N ATOM 0 H ARG A 25 -2.094 6.084 -4.173 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.599 3.184 -4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.976 4.610 -6.131 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.144 5.477 -5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.352 3.353 -4.628 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.235 2.490 -5.666 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.968 4.270 -7.476 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.350 4.503 -6.423 1.00 0.00 H new ATOM 0 HE ARG A 25 1.597 1.870 -7.660 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.005 4.070 -6.294 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.369 3.063 -6.792 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.342 0.596 -8.301 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.994 1.098 -7.927 1.00 0.00 H new ATOM 390 N GLN A 26 -0.156 5.559 -2.377 1.00 0.00 N ATOM 391 CA GLN A 26 0.534 5.899 -1.151 1.00 0.00 C ATOM 392 C GLN A 26 -0.320 5.573 0.062 1.00 0.00 C ATOM 393 O GLN A 26 0.188 5.455 1.168 1.00 0.00 O ATOM 394 CB GLN A 26 0.879 7.387 -1.160 1.00 0.00 C ATOM 395 CG GLN A 26 2.178 7.708 -1.880 1.00 0.00 C ATOM 396 CD GLN A 26 3.403 7.231 -1.116 1.00 0.00 C ATOM 397 OE1 GLN A 26 3.399 7.171 0.113 1.00 0.00 O ATOM 398 NE2 GLN A 26 4.461 6.902 -1.839 1.00 0.00 N ATOM 0 H GLN A 26 -0.446 6.373 -2.918 1.00 0.00 H new ATOM 0 HA GLN A 26 1.448 5.309 -1.090 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.066 7.937 -1.634 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.947 7.742 -0.132 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.166 7.245 -2.867 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.247 8.785 -2.034 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.423 6.966 -2.856 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.314 6.585 -1.379 1.00 0.00 H new ATOM 407 N ALA A 27 -1.615 5.382 -0.156 1.00 0.00 N ATOM 408 CA ALA A 27 -2.516 5.079 0.942 1.00 0.00 C ATOM 409 C ALA A 27 -2.562 3.576 1.137 1.00 0.00 C ATOM 410 O ALA A 27 -2.949 3.083 2.193 1.00 0.00 O ATOM 411 CB ALA A 27 -3.907 5.631 0.689 1.00 0.00 C ATOM 0 H ALA A 27 -2.059 5.431 -1.073 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.144 5.557 1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.554 5.386 1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.854 6.714 0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.313 5.191 -0.222 1.00 0.00 H new ATOM 417 N ALA A 28 -2.147 2.849 0.102 1.00 0.00 N ATOM 418 CA ALA A 28 -2.000 1.414 0.191 1.00 0.00 C ATOM 419 C ALA A 28 -0.556 1.111 0.545 1.00 0.00 C ATOM 420 O ALA A 28 -0.238 0.103 1.171 1.00 0.00 O ATOM 421 CB ALA A 28 -2.387 0.761 -1.132 1.00 0.00 C ATOM 0 H ALA A 28 -1.908 3.241 -0.809 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.659 1.011 0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.272 -0.320 -1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.425 0.999 -1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.741 1.137 -1.926 1.00 0.00 H new ATOM 427 N LEU A 29 0.309 2.025 0.137 1.00 0.00 N ATOM 428 CA LEU A 29 1.719 1.964 0.447 1.00 0.00 C ATOM 429 C LEU A 29 1.919 2.107 1.947 1.00 0.00 C ATOM 430 O LEU A 29 2.647 1.333 2.555 1.00 0.00 O ATOM 431 CB LEU A 29 2.456 3.062 -0.328 1.00 0.00 C ATOM 432 CG LEU A 29 3.976 3.070 -0.203 1.00 0.00 C ATOM 433 CD1 LEU A 29 4.604 3.440 -1.537 1.00 0.00 C ATOM 434 CD2 LEU A 29 4.418 4.049 0.875 1.00 0.00 C ATOM 0 H LEU A 29 0.045 2.835 -0.423 1.00 0.00 H new ATOM 0 HA LEU A 29 2.130 1.000 0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.200 2.968 -1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.080 4.029 0.006 1.00 0.00 H new ATOM 0 HG LEU A 29 4.308 2.072 0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.690 3.444 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.310 2.711 -2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.263 4.431 -1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.505 4.041 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.079 5.052 0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.986 3.756 1.832 1.00 0.00 H new ATOM 446 N LYS A 30 1.246 3.084 2.545 1.00 0.00 N ATOM 447 CA LYS A 30 1.277 3.259 3.998 1.00 0.00 C ATOM 448 C LYS A 30 0.682 2.055 4.722 1.00 0.00 C ATOM 449 O LYS A 30 0.864 1.903 5.927 1.00 0.00 O ATOM 450 CB LYS A 30 0.523 4.520 4.418 1.00 0.00 C ATOM 451 CG LYS A 30 1.175 5.810 3.942 1.00 0.00 C ATOM 452 CD LYS A 30 2.569 6.000 4.526 1.00 0.00 C ATOM 453 CE LYS A 30 2.546 6.802 5.822 1.00 0.00 C ATOM 454 NZ LYS A 30 1.888 6.075 6.941 1.00 0.00 N ATOM 0 H LYS A 30 0.673 3.767 2.050 1.00 0.00 H new ATOM 0 HA LYS A 30 2.325 3.356 4.280 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.494 4.472 4.028 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.446 4.542 5.505 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.237 5.804 2.854 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.548 6.657 4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.019 5.025 4.712 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.200 6.509 3.797 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.568 7.050 6.108 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.025 7.744 5.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.287 6.396 7.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.866 6.267 6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.050 5.053 6.834 1.00 0.00 H new ATOM 468 N ALA A 31 0.003 1.185 3.990 1.00 0.00 N ATOM 469 CA ALA A 31 -0.587 0.004 4.590 1.00 0.00 C ATOM 470 C ALA A 31 0.437 -1.122 4.581 1.00 0.00 C ATOM 471 O ALA A 31 0.389 -2.044 5.394 1.00 0.00 O ATOM 472 CB ALA A 31 -1.851 -0.396 3.848 1.00 0.00 C ATOM 0 H ALA A 31 -0.151 1.276 2.986 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.868 0.218 5.621 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.280 -1.284 4.312 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.572 0.420 3.891 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.609 -0.612 2.807 1.00 0.00 H new ATOM 478 N ALA A 32 1.385 -1.005 3.652 1.00 0.00 N ATOM 479 CA ALA A 32 2.532 -1.900 3.574 1.00 0.00 C ATOM 480 C ALA A 32 3.460 -1.694 4.766 1.00 0.00 C ATOM 481 O ALA A 32 4.345 -2.497 5.030 1.00 0.00 O ATOM 482 CB ALA A 32 3.295 -1.684 2.275 1.00 0.00 C ATOM 0 H ALA A 32 1.376 -0.283 2.931 1.00 0.00 H new ATOM 0 HA ALA A 32 2.161 -2.925 3.595 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.148 -2.362 2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.636 -1.881 1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.648 -0.654 2.227 1.00 0.00 H new ATOM 488 N ASN A 33 3.196 -0.634 5.513 1.00 0.00 N ATOM 489 CA ASN A 33 4.081 -0.173 6.579 1.00 0.00 C ATOM 490 C ASN A 33 3.650 -0.793 7.892 1.00 0.00 C ATOM 491 O ASN A 33 4.217 -0.519 8.947 1.00 0.00 O ATOM 492 CB ASN A 33 4.048 1.350 6.684 1.00 0.00 C ATOM 493 CG ASN A 33 4.885 2.021 5.621 1.00 0.00 C ATOM 494 OD1 ASN A 33 5.989 2.496 5.887 1.00 0.00 O ATOM 495 ND2 ASN A 33 4.390 2.024 4.400 1.00 0.00 N ATOM 0 H ASN A 33 2.358 -0.064 5.399 1.00 0.00 H new ATOM 0 HA ASN A 33 5.102 -0.478 6.349 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.017 1.694 6.601 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.407 1.651 7.668 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.926 2.430 3.633 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.471 1.620 4.221 1.00 0.00 H new ATOM 502 N ARG A 34 2.636 -1.642 7.811 1.00 0.00 N ATOM 503 CA ARG A 34 2.008 -2.217 8.987 1.00 0.00 C ATOM 504 C ARG A 34 2.551 -3.627 9.177 1.00 0.00 C ATOM 505 O ARG A 34 2.000 -4.431 9.931 1.00 0.00 O ATOM 506 CB ARG A 34 0.489 -2.271 8.793 1.00 0.00 C ATOM 507 CG ARG A 34 -0.207 -0.923 8.871 1.00 0.00 C ATOM 508 CD ARG A 34 -0.437 -0.511 10.313 1.00 0.00 C ATOM 509 NE ARG A 34 -1.227 0.712 10.424 1.00 0.00 N ATOM 510 CZ ARG A 34 -2.409 0.776 11.042 1.00 0.00 C ATOM 511 NH1 ARG A 34 -2.971 -0.324 11.535 1.00 0.00 N ATOM 512 NH2 ARG A 34 -3.046 1.934 11.137 1.00 0.00 N ATOM 0 H ARG A 34 2.227 -1.950 6.929 1.00 0.00 H new ATOM 0 HA ARG A 34 2.226 -1.607 9.863 1.00 0.00 H new ATOM 0 HB2 ARG A 34 0.276 -2.720 7.823 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.063 -2.930 9.550 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.396 -0.169 8.366 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.161 -0.972 8.347 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.945 -1.318 10.842 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.525 -0.364 10.804 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.855 1.565 10.006 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.499 -1.223 11.442 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.874 -0.268 12.006 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.634 2.777 10.738 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.949 1.982 11.609 1.00 0.00 H new ATOM 526 N GLY A 35 3.647 -3.900 8.484 1.00 0.00 N ATOM 527 CA GLY A 35 4.194 -5.212 8.382 1.00 0.00 C ATOM 528 C GLY A 35 5.337 -5.175 7.426 1.00 0.00 C ATOM 529 O GLY A 35 6.037 -4.166 7.301 1.00 0.00 O ATOM 0 H GLY A 35 4.177 -3.193 7.975 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.529 -5.560 9.359 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.434 -5.913 8.037 1.00 0.00 H new ATOM 533 N SER A 36 5.486 -6.256 6.747 1.00 0.00 N ATOM 534 CA SER A 36 6.459 -6.398 5.688 1.00 0.00 C ATOM 535 C SER A 36 5.928 -7.359 4.653 1.00 0.00 C ATOM 536 O SER A 36 6.026 -7.107 3.452 1.00 0.00 O ATOM 537 CB SER A 36 7.796 -6.919 6.226 1.00 0.00 C ATOM 538 OG SER A 36 8.417 -5.972 7.081 1.00 0.00 O ATOM 0 H SER A 36 4.928 -7.095 6.905 1.00 0.00 H new ATOM 0 HA SER A 36 6.630 -5.417 5.244 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.633 -7.850 6.770 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.460 -7.149 5.393 1.00 0.00 H new ATOM 0 HG SER A 36 9.266 -6.335 7.409 1.00 0.00 H new ATOM 544 N GLY A 37 5.317 -8.442 5.132 1.00 0.00 N ATOM 545 CA GLY A 37 4.997 -9.547 4.250 1.00 0.00 C ATOM 546 C GLY A 37 6.190 -9.890 3.386 1.00 0.00 C ATOM 547 O GLY A 37 7.332 -9.819 3.849 1.00 0.00 O ATOM 0 H GLY A 37 5.041 -8.571 6.106 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.702 -10.417 4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.147 -9.285 3.621 1.00 0.00 H new ATOM 551 N THR A 38 5.932 -10.248 2.141 1.00 0.00 N ATOM 552 CA THR A 38 6.986 -10.356 1.140 1.00 0.00 C ATOM 553 C THR A 38 6.400 -10.093 -0.234 1.00 0.00 C ATOM 554 O THR A 38 5.200 -9.881 -0.359 1.00 0.00 O ATOM 555 CB THR A 38 7.685 -11.738 1.103 1.00 0.00 C ATOM 556 OG1 THR A 38 6.717 -12.774 0.924 1.00 0.00 O ATOM 557 CG2 THR A 38 8.501 -12.009 2.357 1.00 0.00 C ATOM 0 H THR A 38 4.999 -10.470 1.795 1.00 0.00 H new ATOM 0 HA THR A 38 7.739 -9.619 1.418 1.00 0.00 H new ATOM 0 HB THR A 38 8.375 -11.725 0.259 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.169 -13.643 0.901 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.970 -12.990 2.281 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.272 -11.245 2.462 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.847 -11.986 3.229 1.00 0.00 H new ATOM 565 N LYS A 39 7.231 -10.103 -1.256 1.00 0.00 N ATOM 566 CA LYS A 39 6.736 -10.020 -2.618 1.00 0.00 C ATOM 567 C LYS A 39 5.963 -11.289 -2.967 1.00 0.00 C ATOM 568 O LYS A 39 4.990 -11.268 -3.729 1.00 0.00 O ATOM 569 CB LYS A 39 7.894 -9.820 -3.587 1.00 0.00 C ATOM 570 CG LYS A 39 7.466 -9.894 -5.034 1.00 0.00 C ATOM 571 CD LYS A 39 8.625 -9.648 -5.984 1.00 0.00 C ATOM 572 CE LYS A 39 8.687 -8.200 -6.431 1.00 0.00 C ATOM 573 NZ LYS A 39 9.930 -7.908 -7.192 1.00 0.00 N ATOM 0 H LYS A 39 8.246 -10.167 -1.173 1.00 0.00 H new ATOM 0 HA LYS A 39 6.065 -9.165 -2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.356 -8.851 -3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.654 -10.578 -3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.035 -10.875 -5.235 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.684 -9.158 -5.219 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.561 -9.918 -5.494 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.524 -10.294 -6.856 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.820 -7.974 -7.052 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.633 -7.548 -5.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.934 -6.909 -7.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.758 -8.099 -6.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.969 -8.512 -8.038 1.00 0.00 H new ATOM 587 N ALA A 40 6.400 -12.385 -2.372 1.00 0.00 N ATOM 588 CA ALA A 40 5.799 -13.690 -2.598 1.00 0.00 C ATOM 589 C ALA A 40 4.447 -13.779 -1.912 1.00 0.00 C ATOM 590 O ALA A 40 3.493 -14.350 -2.449 1.00 0.00 O ATOM 591 CB ALA A 40 6.720 -14.788 -2.091 1.00 0.00 C ATOM 0 H ALA A 40 7.182 -12.396 -1.718 1.00 0.00 H new ATOM 0 HA ALA A 40 5.652 -13.823 -3.670 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.258 -15.760 -2.266 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.672 -14.738 -2.620 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.891 -14.655 -1.023 1.00 0.00 H new ATOM 597 N ASN A 41 4.378 -13.213 -0.720 1.00 0.00 N ATOM 598 CA ASN A 41 3.135 -13.148 0.031 1.00 0.00 C ATOM 599 C ASN A 41 2.904 -11.739 0.577 1.00 0.00 C ATOM 600 O ASN A 41 3.101 -11.474 1.763 1.00 0.00 O ATOM 601 CB ASN A 41 3.111 -14.194 1.162 1.00 0.00 C ATOM 602 CG ASN A 41 4.372 -14.231 2.019 1.00 0.00 C ATOM 603 OD1 ASN A 41 5.274 -15.035 1.776 1.00 0.00 O ATOM 604 ND2 ASN A 41 4.458 -13.360 3.013 1.00 0.00 N ATOM 0 H ASN A 41 5.176 -12.788 -0.247 1.00 0.00 H new ATOM 0 HA ASN A 41 2.318 -13.383 -0.651 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.255 -13.993 1.807 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.956 -15.180 0.724 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.289 -13.341 3.604 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.693 -12.708 3.187 1.00 0.00 H new ATOM 611 N PRO A 42 2.500 -10.799 -0.292 1.00 0.00 N ATOM 612 CA PRO A 42 2.211 -9.424 0.119 1.00 0.00 C ATOM 613 C PRO A 42 1.041 -9.365 1.087 1.00 0.00 C ATOM 614 O PRO A 42 0.207 -10.277 1.137 1.00 0.00 O ATOM 615 CB PRO A 42 1.849 -8.717 -1.196 1.00 0.00 C ATOM 616 CG PRO A 42 2.409 -9.585 -2.265 1.00 0.00 C ATOM 617 CD PRO A 42 2.308 -10.986 -1.737 1.00 0.00 C ATOM 0 HA PRO A 42 3.052 -8.966 0.639 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.770 -8.607 -1.301 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.277 -7.715 -1.236 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.849 -9.474 -3.194 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.444 -9.321 -2.483 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.341 -11.435 -1.963 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.070 -11.637 -2.166 1.00 0.00 H new ATOM 625 N ASP A 43 0.967 -8.290 1.846 1.00 0.00 N ATOM 626 CA ASP A 43 -0.140 -8.091 2.753 1.00 0.00 C ATOM 627 C ASP A 43 -1.227 -7.372 1.981 1.00 0.00 C ATOM 628 O ASP A 43 -1.438 -6.173 2.141 1.00 0.00 O ATOM 629 CB ASP A 43 0.284 -7.285 3.984 1.00 0.00 C ATOM 630 CG ASP A 43 -0.636 -7.513 5.168 1.00 0.00 C ATOM 631 OD1 ASP A 43 -0.398 -8.477 5.926 1.00 0.00 O ATOM 632 OD2 ASP A 43 -1.601 -6.739 5.347 1.00 0.00 O ATOM 0 H ASP A 43 1.661 -7.543 1.851 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.502 -9.050 3.124 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.302 -7.558 4.261 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.295 -6.224 3.734 1.00 0.00 H new ATOM 637 N ILE A 44 -1.862 -8.122 1.085 1.00 0.00 N ATOM 638 CA ILE A 44 -2.852 -7.587 0.171 1.00 0.00 C ATOM 639 C ILE A 44 -3.950 -6.857 0.943 1.00 0.00 C ATOM 640 O ILE A 44 -4.473 -7.365 1.938 1.00 0.00 O ATOM 641 CB ILE A 44 -3.424 -8.729 -0.722 1.00 0.00 C ATOM 642 CG1 ILE A 44 -3.880 -8.197 -2.084 1.00 0.00 C ATOM 643 CG2 ILE A 44 -4.562 -9.478 -0.036 1.00 0.00 C ATOM 644 CD1 ILE A 44 -5.097 -7.302 -2.032 1.00 0.00 C ATOM 0 H ILE A 44 -1.699 -9.123 0.976 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.381 -6.857 -0.487 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.611 -9.437 -0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.057 -7.644 -2.538 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.094 -9.043 -2.737 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.929 -10.264 -0.695 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.199 -9.922 0.891 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.372 -8.784 0.187 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.349 -6.972 -3.040 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.937 -7.854 -1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.884 -6.434 -1.408 1.00 0.00 H new ATOM 656 N ILE A 45 -4.262 -5.640 0.518 1.00 0.00 N ATOM 657 CA ILE A 45 -5.281 -4.860 1.182 1.00 0.00 C ATOM 658 C ILE A 45 -6.301 -4.351 0.190 1.00 0.00 C ATOM 659 O ILE A 45 -6.017 -4.160 -0.996 1.00 0.00 O ATOM 660 CB ILE A 45 -4.714 -3.641 1.958 1.00 0.00 C ATOM 661 CG1 ILE A 45 -4.208 -2.540 1.011 1.00 0.00 C ATOM 662 CG2 ILE A 45 -3.604 -4.086 2.883 1.00 0.00 C ATOM 663 CD1 ILE A 45 -2.806 -2.758 0.486 1.00 0.00 C ATOM 0 H ILE A 45 -3.823 -5.179 -0.279 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.742 -5.538 1.900 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.528 -3.217 2.546 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.891 -2.464 0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.242 -1.585 1.535 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.213 -3.224 3.423 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.993 -4.814 3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.804 -4.542 2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.532 -1.934 -0.173 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.107 -2.802 1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.767 -3.695 -0.069 1.00 0.00 H new ATOM 675 N ARG A 46 -7.491 -4.138 0.691 1.00 0.00 N ATOM 676 CA ARG A 46 -8.520 -3.465 -0.054 1.00 0.00 C ATOM 677 C ARG A 46 -8.645 -2.074 0.527 1.00 0.00 C ATOM 678 O ARG A 46 -8.804 -1.944 1.738 1.00 0.00 O ATOM 679 CB ARG A 46 -9.848 -4.214 0.075 1.00 0.00 C ATOM 680 CG ARG A 46 -10.391 -4.713 -1.247 1.00 0.00 C ATOM 681 CD ARG A 46 -11.886 -4.445 -1.358 1.00 0.00 C ATOM 682 NE ARG A 46 -12.254 -3.081 -0.921 1.00 0.00 N ATOM 683 CZ ARG A 46 -11.687 -1.952 -1.360 1.00 0.00 C ATOM 684 NH1 ARG A 46 -10.675 -1.983 -2.226 1.00 0.00 N ATOM 685 NH2 ARG A 46 -12.143 -0.787 -0.933 1.00 0.00 N ATOM 0 H ARG A 46 -7.772 -4.427 1.628 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.268 -3.424 -1.114 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.714 -5.062 0.747 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.584 -3.555 0.536 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.868 -4.222 -2.068 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.201 -5.782 -1.342 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.201 -4.589 -2.391 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.428 -5.174 -0.755 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.999 -2.994 -0.230 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.321 -2.878 -2.565 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.254 -1.112 -2.550 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.921 -0.754 -0.274 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.717 0.079 -1.262 1.00 0.00 H new ATOM 699 N LEU A 47 -8.578 -1.024 -0.277 1.00 0.00 N ATOM 700 CA LEU A 47 -8.580 0.311 0.274 1.00 0.00 C ATOM 701 C LEU A 47 -9.807 1.032 -0.244 1.00 0.00 C ATOM 702 O LEU A 47 -10.098 0.989 -1.444 1.00 0.00 O ATOM 703 CB LEU A 47 -7.336 1.093 -0.151 1.00 0.00 C ATOM 704 CG LEU A 47 -6.452 1.632 0.981 1.00 0.00 C ATOM 705 CD1 LEU A 47 -7.147 1.564 2.330 1.00 0.00 C ATOM 706 CD2 LEU A 47 -5.139 0.890 1.020 1.00 0.00 C ATOM 0 H LEU A 47 -8.523 -1.073 -1.294 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.585 0.243 1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.726 0.448 -0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.655 1.934 -0.766 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.258 2.684 0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.484 1.956 3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.060 2.159 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.397 0.528 2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.523 1.284 1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.325 -0.171 1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.619 1.020 0.071 1.00 0.00 H new ATOM 718 N ARG A 48 -10.525 1.677 0.641 1.00 0.00 N ATOM 719 CA ARG A 48 -11.744 2.374 0.280 1.00 0.00 C ATOM 720 C ARG A 48 -11.688 3.766 0.866 1.00 0.00 C ATOM 721 O ARG A 48 -11.421 3.910 2.058 1.00 0.00 O ATOM 722 CB ARG A 48 -12.956 1.606 0.820 1.00 0.00 C ATOM 723 CG ARG A 48 -14.277 2.344 0.681 1.00 0.00 C ATOM 724 CD ARG A 48 -15.439 1.474 1.133 1.00 0.00 C ATOM 725 NE ARG A 48 -16.678 2.235 1.288 1.00 0.00 N ATOM 726 CZ ARG A 48 -17.615 1.957 2.195 1.00 0.00 C ATOM 727 NH1 ARG A 48 -17.431 0.964 3.057 1.00 0.00 N ATOM 728 NH2 ARG A 48 -18.722 2.687 2.256 1.00 0.00 N ATOM 0 H ARG A 48 -10.286 1.737 1.631 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.840 2.440 -0.804 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -13.029 0.652 0.297 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -12.788 1.380 1.873 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.251 3.258 1.274 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.424 2.642 -0.357 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.595 0.675 0.408 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.186 0.999 2.081 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.835 3.027 0.664 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.573 0.414 3.025 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -18.148 0.751 3.751 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.858 3.463 1.608 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -19.437 2.472 2.951 1.00 0.00 H new ATOM 742 N GLU A 49 -11.904 4.799 0.058 1.00 0.00 N ATOM 743 CA GLU A 49 -11.844 6.156 0.546 1.00 0.00 C ATOM 744 C GLU A 49 -13.058 6.393 1.424 1.00 0.00 C ATOM 745 O GLU A 49 -14.118 5.809 1.183 1.00 0.00 O ATOM 746 CB GLU A 49 -11.823 7.105 -0.655 1.00 0.00 C ATOM 747 CG GLU A 49 -11.413 8.529 -0.328 1.00 0.00 C ATOM 748 CD GLU A 49 -11.336 9.398 -1.566 1.00 0.00 C ATOM 749 OE1 GLU A 49 -10.268 9.437 -2.202 1.00 0.00 O ATOM 750 OE2 GLU A 49 -12.347 10.046 -1.914 1.00 0.00 O ATOM 0 H GLU A 49 -12.121 4.714 -0.935 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.945 6.334 1.136 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.139 6.707 -1.404 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.815 7.121 -1.106 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.128 8.960 0.373 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.443 8.521 0.170 1.00 0.00 H new ATOM 757 N ARG A 50 -12.924 7.256 2.414 1.00 0.00 N ATOM 758 CA ARG A 50 -13.907 7.310 3.488 1.00 0.00 C ATOM 759 C ARG A 50 -15.246 7.823 2.982 1.00 0.00 C ATOM 760 O ARG A 50 -15.367 8.966 2.530 1.00 0.00 O ATOM 761 CB ARG A 50 -13.438 8.176 4.646 1.00 0.00 C ATOM 762 CG ARG A 50 -12.003 7.917 5.066 1.00 0.00 C ATOM 763 CD ARG A 50 -11.698 8.542 6.420 1.00 0.00 C ATOM 764 NE ARG A 50 -12.191 9.913 6.513 1.00 0.00 N ATOM 765 CZ ARG A 50 -12.634 10.467 7.637 1.00 0.00 C ATOM 766 NH1 ARG A 50 -12.610 9.782 8.773 1.00 0.00 N ATOM 767 NH2 ARG A 50 -13.101 11.707 7.620 1.00 0.00 N ATOM 0 H ARG A 50 -12.156 7.922 2.500 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.027 6.289 3.850 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.541 9.225 4.367 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.093 8.008 5.501 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -11.824 6.843 5.111 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.324 8.322 4.316 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.151 7.940 7.208 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.621 8.532 6.590 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.196 10.480 5.665 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -12.251 8.827 8.785 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.951 10.210 9.634 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.120 12.233 6.746 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.442 12.135 8.481 1.00 0.00 H new ATOM 781 N GLY A 51 -16.235 6.955 3.059 1.00 0.00 N ATOM 782 CA GLY A 51 -17.584 7.297 2.652 1.00 0.00 C ATOM 783 C GLY A 51 -17.855 7.022 1.182 1.00 0.00 C ATOM 784 O GLY A 51 -18.999 7.101 0.732 1.00 0.00 O ATOM 0 H GLY A 51 -16.128 6.000 3.402 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.293 6.732 3.257 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.761 8.353 2.856 1.00 0.00 H new ATOM 788 N THR A 52 -16.811 6.691 0.434 1.00 0.00 N ATOM 789 CA THR A 52 -16.930 6.510 -1.008 1.00 0.00 C ATOM 790 C THR A 52 -17.103 5.039 -1.374 1.00 0.00 C ATOM 791 O THR A 52 -16.981 4.157 -0.524 1.00 0.00 O ATOM 792 CB THR A 52 -15.673 7.031 -1.728 1.00 0.00 C ATOM 793 OG1 THR A 52 -14.577 6.141 -1.493 1.00 0.00 O ATOM 794 CG2 THR A 52 -15.299 8.423 -1.247 1.00 0.00 C ATOM 0 H THR A 52 -15.871 6.542 0.801 1.00 0.00 H new ATOM 0 HA THR A 52 -17.809 7.072 -1.323 1.00 0.00 H new ATOM 0 HB THR A 52 -15.893 7.081 -2.794 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.496 5.968 -0.532 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.408 8.763 -1.774 1.00 0.00 H new ATOM 0 HG22 THR A 52 -16.122 9.110 -1.445 1.00 0.00 H new ATOM 0 HG23 THR A 52 -15.099 8.396 -0.176 1.00 0.00 H new ATOM 802 N LYS A 53 -17.406 4.789 -2.643 1.00 0.00 N ATOM 803 CA LYS A 53 -17.422 3.437 -3.186 1.00 0.00 C ATOM 804 C LYS A 53 -16.059 3.088 -3.771 1.00 0.00 C ATOM 805 O LYS A 53 -15.838 1.947 -4.163 1.00 0.00 O ATOM 806 CB LYS A 53 -18.474 3.277 -4.296 1.00 0.00 C ATOM 807 CG LYS A 53 -19.912 3.556 -3.885 1.00 0.00 C ATOM 808 CD LYS A 53 -20.408 2.601 -2.810 1.00 0.00 C ATOM 809 CE LYS A 53 -20.282 3.211 -1.428 1.00 0.00 C ATOM 810 NZ LYS A 53 -20.978 4.523 -1.343 1.00 0.00 N ATOM 0 H LYS A 53 -17.646 5.513 -3.320 1.00 0.00 H new ATOM 0 HA LYS A 53 -17.671 2.768 -2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -18.214 3.945 -5.117 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -18.416 2.259 -4.682 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -19.990 4.580 -3.520 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -20.558 3.480 -4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -21.450 2.344 -3.002 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -19.837 1.673 -2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -20.700 2.528 -0.689 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -19.228 3.341 -1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -21.334 4.665 -0.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -20.312 5.285 -1.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -21.775 4.537 -2.011 1.00 0.00 H new ATOM 824 N LYS A 54 -15.161 4.083 -3.852 1.00 0.00 N ATOM 825 CA LYS A 54 -13.829 3.879 -4.435 1.00 0.00 C ATOM 826 C LYS A 54 -13.142 2.652 -3.857 1.00 0.00 C ATOM 827 O LYS A 54 -12.622 2.672 -2.738 1.00 0.00 O ATOM 828 CB LYS A 54 -12.915 5.089 -4.187 1.00 0.00 C ATOM 829 CG LYS A 54 -13.387 6.399 -4.790 1.00 0.00 C ATOM 830 CD LYS A 54 -12.291 7.454 -4.698 1.00 0.00 C ATOM 831 CE LYS A 54 -12.753 8.822 -5.182 1.00 0.00 C ATOM 832 NZ LYS A 54 -13.698 9.455 -4.228 1.00 0.00 N ATOM 0 H LYS A 54 -15.334 5.033 -3.522 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.988 3.743 -5.505 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.804 5.224 -3.111 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.925 4.862 -4.584 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.667 6.247 -5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -14.279 6.746 -4.268 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.954 7.533 -3.664 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.433 7.134 -5.290 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.887 9.470 -5.320 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.233 8.720 -6.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.016 10.369 -4.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.520 8.833 -4.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.221 9.607 -3.316 1.00 0.00 H new ATOM 846 N VAL A 55 -13.139 1.588 -4.636 1.00 0.00 N ATOM 847 CA VAL A 55 -12.498 0.357 -4.247 1.00 0.00 C ATOM 848 C VAL A 55 -11.254 0.109 -5.089 1.00 0.00 C ATOM 849 O VAL A 55 -11.332 -0.284 -6.252 1.00 0.00 O ATOM 850 CB VAL A 55 -13.481 -0.836 -4.336 1.00 0.00 C ATOM 851 CG1 VAL A 55 -12.739 -2.160 -4.376 1.00 0.00 C ATOM 852 CG2 VAL A 55 -14.415 -0.807 -3.141 1.00 0.00 C ATOM 0 H VAL A 55 -13.582 1.557 -5.554 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.188 0.451 -3.206 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.053 -0.743 -5.259 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.457 -2.978 -4.438 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.085 -2.184 -5.247 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.142 -2.270 -3.471 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.108 -1.646 -3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -13.833 -0.882 -2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -14.976 0.128 -3.140 1.00 0.00 H new ATOM 862 N HIS A 56 -10.099 0.390 -4.499 1.00 0.00 N ATOM 863 CA HIS A 56 -8.832 0.055 -5.126 1.00 0.00 C ATOM 864 C HIS A 56 -8.137 -1.048 -4.354 1.00 0.00 C ATOM 865 O HIS A 56 -7.995 -0.965 -3.132 1.00 0.00 O ATOM 866 CB HIS A 56 -7.895 1.262 -5.266 1.00 0.00 C ATOM 867 CG HIS A 56 -7.863 2.236 -4.115 1.00 0.00 C ATOM 868 ND1 HIS A 56 -6.849 2.241 -3.183 1.00 0.00 N ATOM 869 CD2 HIS A 56 -8.667 3.287 -3.782 1.00 0.00 C ATOM 870 CE1 HIS A 56 -7.025 3.238 -2.346 1.00 0.00 C ATOM 871 NE2 HIS A 56 -8.116 3.881 -2.687 1.00 0.00 N ATOM 0 H HIS A 56 -10.016 0.847 -3.591 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.066 -0.288 -6.134 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.883 0.890 -5.424 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -8.178 1.809 -6.166 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -6.079 1.573 -3.148 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.570 3.591 -4.291 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.380 3.486 -1.516 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -8.493 4.698 -2.207 1.00 0.00 H new ATOM 880 N VAL A 57 -7.745 -2.095 -5.063 1.00 0.00 N ATOM 881 CA VAL A 57 -7.062 -3.225 -4.459 1.00 0.00 C ATOM 882 C VAL A 57 -5.593 -3.257 -4.879 1.00 0.00 C ATOM 883 O VAL A 57 -5.284 -3.427 -6.062 1.00 0.00 O ATOM 884 CB VAL A 57 -7.737 -4.549 -4.884 1.00 0.00 C ATOM 885 CG1 VAL A 57 -7.103 -5.736 -4.184 1.00 0.00 C ATOM 886 CG2 VAL A 57 -9.234 -4.508 -4.615 1.00 0.00 C ATOM 0 H VAL A 57 -7.891 -2.184 -6.069 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.123 -3.114 -3.376 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.585 -4.668 -5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.598 -6.653 -4.502 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.045 -5.787 -4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.210 -5.622 -3.105 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.685 -5.451 -4.923 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.408 -4.353 -3.550 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.683 -3.690 -5.179 1.00 0.00 H new ATOM 896 N PHE A 58 -4.688 -3.090 -3.918 1.00 0.00 N ATOM 897 CA PHE A 58 -3.263 -3.182 -4.201 1.00 0.00 C ATOM 898 C PHE A 58 -2.643 -4.224 -3.268 1.00 0.00 C ATOM 899 O PHE A 58 -2.932 -4.207 -2.075 1.00 0.00 O ATOM 900 CB PHE A 58 -2.496 -1.869 -3.937 1.00 0.00 C ATOM 901 CG PHE A 58 -3.006 -0.553 -4.474 1.00 0.00 C ATOM 902 CD1 PHE A 58 -4.313 -0.087 -4.294 1.00 0.00 C ATOM 903 CD2 PHE A 58 -2.095 0.280 -5.101 1.00 0.00 C ATOM 904 CE1 PHE A 58 -4.664 1.161 -4.752 1.00 0.00 C ATOM 905 CE2 PHE A 58 -2.456 1.529 -5.539 1.00 0.00 C ATOM 906 CZ PHE A 58 -3.742 1.968 -5.370 1.00 0.00 C ATOM 0 H PHE A 58 -4.916 -2.892 -2.944 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.180 -3.434 -5.258 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.409 -1.761 -2.856 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.487 -2.004 -4.326 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.045 -0.706 -3.796 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.081 -0.060 -5.248 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.678 1.510 -4.624 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.726 2.166 -6.017 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.030 2.947 -5.722 1.00 0.00 H new ATOM 916 N LYS A 59 -1.839 -5.163 -3.768 1.00 0.00 N ATOM 917 CA LYS A 59 -0.975 -5.948 -2.885 1.00 0.00 C ATOM 918 C LYS A 59 0.181 -5.108 -2.373 1.00 0.00 C ATOM 919 O LYS A 59 1.000 -4.634 -3.153 1.00 0.00 O ATOM 920 CB LYS A 59 -0.415 -7.157 -3.639 1.00 0.00 C ATOM 921 CG LYS A 59 -1.412 -7.796 -4.589 1.00 0.00 C ATOM 922 CD LYS A 59 -0.830 -9.019 -5.281 1.00 0.00 C ATOM 923 CE LYS A 59 -0.681 -10.187 -4.323 1.00 0.00 C ATOM 924 NZ LYS A 59 -0.205 -11.413 -5.011 1.00 0.00 N ATOM 0 H LYS A 59 -1.767 -5.396 -4.759 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.574 -6.283 -2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.465 -6.847 -4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.084 -7.903 -2.917 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.307 -8.082 -4.037 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.719 -7.066 -5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.474 -9.309 -6.111 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.143 -8.769 -5.705 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.020 -9.920 -3.532 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.640 -10.388 -3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.117 -12.186 -4.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.886 -11.683 -5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.722 -11.230 -5.446 1.00 0.00 H new ATOM 938 N ALA A 60 0.241 -4.925 -1.068 1.00 0.00 N ATOM 939 CA ALA A 60 1.314 -4.162 -0.457 1.00 0.00 C ATOM 940 C ALA A 60 2.269 -5.068 0.308 1.00 0.00 C ATOM 941 O ALA A 60 1.841 -5.984 1.000 1.00 0.00 O ATOM 942 CB ALA A 60 0.736 -3.120 0.476 1.00 0.00 C ATOM 0 H ALA A 60 -0.443 -5.295 -0.408 1.00 0.00 H new ATOM 0 HA ALA A 60 1.876 -3.670 -1.251 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.546 -2.550 0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.090 -2.446 -0.087 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.155 -3.612 1.256 1.00 0.00 H new ATOM 948 N TRP A 61 3.557 -4.816 0.175 1.00 0.00 N ATOM 949 CA TRP A 61 4.561 -5.530 0.946 1.00 0.00 C ATOM 950 C TRP A 61 5.753 -4.621 1.169 1.00 0.00 C ATOM 951 O TRP A 61 5.705 -3.442 0.835 1.00 0.00 O ATOM 952 CB TRP A 61 4.996 -6.834 0.249 1.00 0.00 C ATOM 953 CG TRP A 61 5.797 -6.656 -1.011 1.00 0.00 C ATOM 954 CD1 TRP A 61 7.159 -6.751 -1.145 1.00 0.00 C ATOM 955 CD2 TRP A 61 5.286 -6.378 -2.319 1.00 0.00 C ATOM 956 NE1 TRP A 61 7.519 -6.553 -2.450 1.00 0.00 N ATOM 957 CE2 TRP A 61 6.387 -6.318 -3.194 1.00 0.00 C ATOM 958 CE3 TRP A 61 4.002 -6.174 -2.835 1.00 0.00 C ATOM 959 CZ2 TRP A 61 6.241 -6.064 -4.556 1.00 0.00 C ATOM 960 CZ3 TRP A 61 3.860 -5.921 -4.184 1.00 0.00 C ATOM 961 CH2 TRP A 61 4.973 -5.866 -5.032 1.00 0.00 C ATOM 0 H TRP A 61 3.936 -4.117 -0.464 1.00 0.00 H new ATOM 0 HA TRP A 61 4.127 -5.811 1.905 1.00 0.00 H new ATOM 0 HB2 TRP A 61 5.584 -7.423 0.953 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.104 -7.415 0.013 1.00 0.00 H new ATOM 0 HD1 TRP A 61 7.847 -6.953 -0.338 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.472 -6.576 -2.812 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.137 -6.214 -2.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 7.098 -6.025 -5.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 2.873 -5.763 -4.593 1.00 0.00 H new ATOM 0 HH2 TRP A 61 4.828 -5.663 -6.083 1.00 0.00 H new ATOM 972 N LYS A 62 6.801 -5.155 1.756 1.00 0.00 N ATOM 973 CA LYS A 62 8.024 -4.405 1.948 1.00 0.00 C ATOM 974 C LYS A 62 9.214 -5.324 1.758 1.00 0.00 C ATOM 975 O LYS A 62 9.344 -6.332 2.455 1.00 0.00 O ATOM 976 CB LYS A 62 8.057 -3.789 3.351 1.00 0.00 C ATOM 977 CG LYS A 62 7.483 -2.384 3.418 1.00 0.00 C ATOM 978 CD LYS A 62 7.192 -1.944 4.845 1.00 0.00 C ATOM 979 CE LYS A 62 8.324 -2.278 5.795 1.00 0.00 C ATOM 980 NZ LYS A 62 7.928 -2.113 7.215 1.00 0.00 N ATOM 0 H LYS A 62 6.831 -6.111 2.111 1.00 0.00 H new ATOM 0 HA LYS A 62 8.067 -3.599 1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.500 -4.432 4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.088 -3.767 3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.184 -1.686 2.961 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.564 -2.341 2.833 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.013 -0.869 4.861 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.277 -2.425 5.191 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.647 -3.305 5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.178 -1.636 5.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.770 -2.185 7.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.486 -1.181 7.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.250 -2.857 7.475 1.00 0.00 H new ATOM 994 N GLU A 63 10.088 -4.974 0.832 1.00 0.00 N ATOM 995 CA GLU A 63 11.251 -5.793 0.550 1.00 0.00 C ATOM 996 C GLU A 63 12.410 -4.916 0.076 1.00 0.00 C ATOM 997 O GLU A 63 12.251 -3.705 -0.096 1.00 0.00 O ATOM 998 CB GLU A 63 10.924 -6.856 -0.504 1.00 0.00 C ATOM 999 CG GLU A 63 10.948 -6.343 -1.925 1.00 0.00 C ATOM 1000 CD GLU A 63 10.626 -7.409 -2.946 1.00 0.00 C ATOM 1001 OE1 GLU A 63 11.240 -8.498 -2.898 1.00 0.00 O ATOM 1002 OE2 GLU A 63 9.766 -7.154 -3.808 1.00 0.00 O ATOM 0 H GLU A 63 10.014 -4.130 0.264 1.00 0.00 H new ATOM 0 HA GLU A 63 11.545 -6.301 1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.638 -7.675 -0.412 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.937 -7.269 -0.295 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.232 -5.527 -2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.934 -5.929 -2.139 1.00 0.00 H new ATOM 1009 N ILE A 64 13.575 -5.520 -0.101 1.00 0.00 N ATOM 1010 CA ILE A 64 14.683 -4.851 -0.761 1.00 0.00 C ATOM 1011 C ILE A 64 15.007 -5.575 -2.058 1.00 0.00 C ATOM 1012 O ILE A 64 15.495 -6.709 -2.057 1.00 0.00 O ATOM 1013 CB ILE A 64 15.949 -4.747 0.123 1.00 0.00 C ATOM 1014 CG1 ILE A 64 17.118 -4.205 -0.707 1.00 0.00 C ATOM 1015 CG2 ILE A 64 16.297 -6.083 0.762 1.00 0.00 C ATOM 1016 CD1 ILE A 64 18.372 -3.890 0.079 1.00 0.00 C ATOM 0 H ILE A 64 13.777 -6.472 0.204 1.00 0.00 H new ATOM 0 HA ILE A 64 14.367 -3.828 -0.964 1.00 0.00 H new ATOM 0 HB ILE A 64 15.745 -4.051 0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 64 17.365 -4.935 -1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 64 16.791 -3.299 -1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 64 17.191 -5.971 1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 64 15.468 -6.414 1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 64 16.482 -6.822 -0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 64 19.140 -3.513 -0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 64 18.149 -3.134 0.832 1.00 0.00 H new ATOM 0 HD13 ILE A 64 18.732 -4.795 0.568 1.00 0.00 H new ATOM 1028 N VAL A 65 14.700 -4.932 -3.162 1.00 0.00 N ATOM 1029 CA VAL A 65 14.902 -5.554 -4.460 1.00 0.00 C ATOM 1030 C VAL A 65 16.268 -5.230 -5.016 1.00 0.00 C ATOM 1031 O VAL A 65 16.828 -4.163 -4.761 1.00 0.00 O ATOM 1032 CB VAL A 65 13.846 -5.155 -5.515 1.00 0.00 C ATOM 1033 CG1 VAL A 65 12.441 -5.400 -5.001 1.00 0.00 C ATOM 1034 CG2 VAL A 65 14.006 -3.710 -5.963 1.00 0.00 C ATOM 0 H VAL A 65 14.313 -3.989 -3.193 1.00 0.00 H new ATOM 0 HA VAL A 65 14.804 -6.623 -4.272 1.00 0.00 H new ATOM 0 HB VAL A 65 14.011 -5.789 -6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.719 -5.110 -5.764 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.318 -6.458 -4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 65 12.275 -4.808 -4.101 1.00 0.00 H new ATOM 0 HG21 VAL A 65 13.243 -3.472 -6.705 1.00 0.00 H new ATOM 0 HG22 VAL A 65 13.895 -3.048 -5.104 1.00 0.00 H new ATOM 0 HG23 VAL A 65 14.994 -3.572 -6.402 1.00 0.00 H new ATOM 1044 N ASP A 66 16.817 -6.191 -5.726 1.00 0.00 N ATOM 1045 CA ASP A 66 18.022 -5.971 -6.490 1.00 0.00 C ATOM 1046 C ASP A 66 17.686 -5.284 -7.802 1.00 0.00 C ATOM 1047 O ASP A 66 17.004 -5.839 -8.666 1.00 0.00 O ATOM 1048 CB ASP A 66 18.788 -7.283 -6.725 1.00 0.00 C ATOM 1049 CG ASP A 66 17.973 -8.353 -7.417 1.00 0.00 C ATOM 1050 OD1 ASP A 66 16.939 -8.774 -6.859 1.00 0.00 O ATOM 1051 OD2 ASP A 66 18.386 -8.807 -8.505 1.00 0.00 O ATOM 0 H ASP A 66 16.444 -7.138 -5.789 1.00 0.00 H new ATOM 0 HA ASP A 66 18.679 -5.319 -5.915 1.00 0.00 H new ATOM 0 HB2 ASP A 66 19.675 -7.072 -7.322 1.00 0.00 H new ATOM 0 HB3 ASP A 66 19.134 -7.667 -5.765 1.00 0.00 H new ATOM 1056 N ALA A 67 18.155 -4.060 -7.910 1.00 0.00 N ATOM 1057 CA ALA A 67 17.948 -3.275 -9.109 1.00 0.00 C ATOM 1058 C ALA A 67 18.912 -3.748 -10.185 1.00 0.00 C ATOM 1059 O ALA A 67 20.109 -3.892 -9.932 1.00 0.00 O ATOM 1060 CB ALA A 67 18.113 -1.792 -8.837 1.00 0.00 C ATOM 0 H ALA A 67 18.684 -3.585 -7.179 1.00 0.00 H new ATOM 0 HA ALA A 67 16.924 -3.419 -9.455 1.00 0.00 H new ATOM 0 HB1 ALA A 67 17.951 -1.233 -9.758 1.00 0.00 H new ATOM 0 HB2 ALA A 67 17.386 -1.476 -8.088 1.00 0.00 H new ATOM 0 HB3 ALA A 67 19.121 -1.600 -8.468 1.00 0.00 H new ATOM 1066 N PRO A 68 18.401 -4.022 -11.389 1.00 0.00 N ATOM 1067 CA PRO A 68 19.189 -4.589 -12.473 1.00 0.00 C ATOM 1068 C PRO A 68 20.022 -3.526 -13.172 1.00 0.00 C ATOM 1069 O PRO A 68 20.018 -2.368 -12.759 1.00 0.00 O ATOM 1070 CB PRO A 68 18.134 -5.168 -13.429 1.00 0.00 C ATOM 1071 CG PRO A 68 16.798 -4.867 -12.817 1.00 0.00 C ATOM 1072 CD PRO A 68 17.023 -3.777 -11.810 1.00 0.00 C ATOM 0 HA PRO A 68 19.901 -5.335 -12.120 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.218 -4.719 -14.418 1.00 0.00 H new ATOM 0 HB3 PRO A 68 18.271 -6.242 -13.554 1.00 0.00 H new ATOM 0 HG2 PRO A 68 16.086 -4.550 -13.579 1.00 0.00 H new ATOM 0 HG3 PRO A 68 16.381 -5.754 -12.341 1.00 0.00 H new ATOM 0 HD2 PRO A 68 16.902 -2.787 -12.249 1.00 0.00 H new ATOM 0 HD3 PRO A 68 16.325 -3.844 -10.976 1.00 0.00 H new ATOM 1080 N LYS A 69 20.740 -3.922 -14.214 1.00 0.00 N ATOM 1081 CA LYS A 69 21.516 -2.976 -15.010 1.00 0.00 C ATOM 1082 C LYS A 69 20.644 -1.790 -15.409 1.00 0.00 C ATOM 1083 O LYS A 69 20.955 -0.641 -15.099 1.00 0.00 O ATOM 1084 CB LYS A 69 22.067 -3.658 -16.266 1.00 0.00 C ATOM 1085 CG LYS A 69 22.839 -4.941 -15.992 1.00 0.00 C ATOM 1086 CD LYS A 69 23.938 -4.727 -14.968 1.00 0.00 C ATOM 1087 CE LYS A 69 24.776 -5.982 -14.782 1.00 0.00 C ATOM 1088 NZ LYS A 69 25.871 -5.778 -13.797 1.00 0.00 N ATOM 0 H LYS A 69 20.802 -4.890 -14.529 1.00 0.00 H new ATOM 0 HA LYS A 69 22.352 -2.621 -14.407 1.00 0.00 H new ATOM 0 HB2 LYS A 69 21.238 -3.882 -16.937 1.00 0.00 H new ATOM 0 HB3 LYS A 69 22.720 -2.959 -16.789 1.00 0.00 H new ATOM 0 HG2 LYS A 69 22.153 -5.709 -15.635 1.00 0.00 H new ATOM 0 HG3 LYS A 69 23.274 -5.309 -16.921 1.00 0.00 H new ATOM 0 HD2 LYS A 69 24.578 -3.904 -15.286 1.00 0.00 H new ATOM 0 HD3 LYS A 69 23.497 -4.438 -14.014 1.00 0.00 H new ATOM 0 HE2 LYS A 69 24.136 -6.799 -14.449 1.00 0.00 H new ATOM 0 HE3 LYS A 69 25.201 -6.280 -15.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 26.418 -6.657 -13.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 26.497 -5.015 -14.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 25.465 -5.519 -12.875 1.00 0.00 H new ATOM 1102 N ASN A 70 19.557 -2.090 -16.110 1.00 0.00 N ATOM 1103 CA ASN A 70 18.556 -1.092 -16.494 1.00 0.00 C ATOM 1104 C ASN A 70 17.751 -0.528 -15.316 1.00 0.00 C ATOM 1105 O ASN A 70 16.571 -0.207 -15.481 1.00 0.00 O ATOM 1106 CB ASN A 70 17.576 -1.702 -17.504 1.00 0.00 C ATOM 1107 CG ASN A 70 18.204 -2.029 -18.846 1.00 0.00 C ATOM 1108 OD1 ASN A 70 19.391 -2.342 -18.941 1.00 0.00 O ATOM 1109 ND2 ASN A 70 17.406 -1.956 -19.899 1.00 0.00 N ATOM 0 H ASN A 70 19.341 -3.034 -16.431 1.00 0.00 H new ATOM 0 HA ASN A 70 19.116 -0.263 -16.927 1.00 0.00 H new ATOM 0 HB2 ASN A 70 17.152 -2.612 -17.080 1.00 0.00 H new ATOM 0 HB3 ASN A 70 16.750 -1.008 -17.659 1.00 0.00 H new ATOM 0 HD21 ASN A 70 17.769 -2.163 -20.829 1.00 0.00 H new ATOM 0 HD22 ASN A 70 16.428 -1.693 -19.780 1.00 0.00 H new ATOM 1116 N ARG A 71 18.343 -0.425 -14.131 1.00 0.00 N ATOM 1117 CA ARG A 71 17.663 0.221 -13.019 1.00 0.00 C ATOM 1118 C ARG A 71 17.437 1.697 -13.330 1.00 0.00 C ATOM 1119 O ARG A 71 18.197 2.298 -14.092 1.00 0.00 O ATOM 1120 CB ARG A 71 18.474 0.096 -11.727 1.00 0.00 C ATOM 1121 CG ARG A 71 19.785 0.855 -11.737 1.00 0.00 C ATOM 1122 CD ARG A 71 20.139 1.293 -10.335 1.00 0.00 C ATOM 1123 NE ARG A 71 21.409 2.007 -10.275 1.00 0.00 N ATOM 1124 CZ ARG A 71 21.523 3.314 -10.031 1.00 0.00 C ATOM 1125 NH1 ARG A 71 20.440 4.066 -9.875 1.00 0.00 N ATOM 1126 NH2 ARG A 71 22.722 3.870 -9.937 1.00 0.00 N ATOM 0 H ARG A 71 19.277 -0.775 -13.919 1.00 0.00 H new ATOM 0 HA ARG A 71 16.704 -0.278 -12.879 1.00 0.00 H new ATOM 0 HB2 ARG A 71 17.867 0.454 -10.895 1.00 0.00 H new ATOM 0 HB3 ARG A 71 18.680 -0.958 -11.542 1.00 0.00 H new ATOM 0 HG2 ARG A 71 20.577 0.224 -12.141 1.00 0.00 H new ATOM 0 HG3 ARG A 71 19.706 1.725 -12.390 1.00 0.00 H new ATOM 0 HD2 ARG A 71 19.347 1.934 -9.948 1.00 0.00 H new ATOM 0 HD3 ARG A 71 20.187 0.418 -9.686 1.00 0.00 H new ATOM 0 HE ARG A 71 22.265 1.474 -10.429 1.00 0.00 H new ATOM 0 HH11 ARG A 71 19.513 3.645 -9.941 1.00 0.00 H new ATOM 0 HH12 ARG A 71 20.535 5.064 -9.689 1.00 0.00 H new ATOM 0 HH21 ARG A 71 23.559 3.299 -10.051 1.00 0.00 H new ATOM 0 HH22 ARG A 71 22.808 4.869 -9.750 1.00 0.00 H new ATOM 1140 N PRO A 72 16.377 2.296 -12.769 1.00 0.00 N ATOM 1141 CA PRO A 72 16.128 3.727 -12.915 1.00 0.00 C ATOM 1142 C PRO A 72 17.246 4.556 -12.299 1.00 0.00 C ATOM 1143 O PRO A 72 17.822 4.181 -11.274 1.00 0.00 O ATOM 1144 CB PRO A 72 14.819 3.955 -12.161 1.00 0.00 C ATOM 1145 CG PRO A 72 14.196 2.612 -12.030 1.00 0.00 C ATOM 1146 CD PRO A 72 15.334 1.638 -11.965 1.00 0.00 C ATOM 0 HA PRO A 72 16.077 4.027 -13.962 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.002 4.400 -11.183 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.167 4.639 -12.705 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.579 2.553 -11.133 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.546 2.398 -12.879 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.662 1.468 -10.940 1.00 0.00 H new ATOM 0 HD3 PRO A 72 15.059 0.667 -12.377 1.00 0.00 H new ATOM 1154 N ALA A 73 17.507 5.705 -12.902 1.00 0.00 N ATOM 1155 CA ALA A 73 18.646 6.543 -12.543 1.00 0.00 C ATOM 1156 C ALA A 73 18.432 7.284 -11.228 1.00 0.00 C ATOM 1157 O ALA A 73 19.261 8.097 -10.820 1.00 0.00 O ATOM 1158 CB ALA A 73 18.910 7.532 -13.661 1.00 0.00 C ATOM 0 H ALA A 73 16.935 6.086 -13.656 1.00 0.00 H new ATOM 0 HA ALA A 73 19.509 5.892 -12.403 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.760 8.161 -13.397 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.130 6.991 -14.581 1.00 0.00 H new ATOM 0 HB3 ALA A 73 18.029 8.157 -13.810 1.00 0.00 H new ATOM 1164 N TRP A 74 17.325 7.002 -10.564 1.00 0.00 N ATOM 1165 CA TRP A 74 17.008 7.646 -9.301 1.00 0.00 C ATOM 1166 C TRP A 74 17.026 6.631 -8.159 1.00 0.00 C ATOM 1167 O TRP A 74 17.228 6.995 -7.000 1.00 0.00 O ATOM 1168 CB TRP A 74 15.633 8.329 -9.380 1.00 0.00 C ATOM 1169 CG TRP A 74 14.546 7.389 -9.788 1.00 0.00 C ATOM 1170 CD1 TRP A 74 14.060 7.198 -11.046 1.00 0.00 C ATOM 1171 CD2 TRP A 74 13.828 6.492 -8.937 1.00 0.00 C ATOM 1172 NE1 TRP A 74 13.098 6.222 -11.029 1.00 0.00 N ATOM 1173 CE2 TRP A 74 12.943 5.771 -9.750 1.00 0.00 C ATOM 1174 CE3 TRP A 74 13.856 6.221 -7.566 1.00 0.00 C ATOM 1175 CZ2 TRP A 74 12.102 4.795 -9.245 1.00 0.00 C ATOM 1176 CZ3 TRP A 74 13.019 5.251 -7.066 1.00 0.00 C ATOM 1177 CH2 TRP A 74 12.157 4.546 -7.903 1.00 0.00 C ATOM 0 H TRP A 74 16.628 6.328 -10.880 1.00 0.00 H new ATOM 0 HA TRP A 74 17.767 8.403 -9.103 1.00 0.00 H new ATOM 0 HB2 TRP A 74 15.390 8.760 -8.409 1.00 0.00 H new ATOM 0 HB3 TRP A 74 15.681 9.153 -10.092 1.00 0.00 H new ATOM 0 HD1 TRP A 74 14.384 7.735 -11.925 1.00 0.00 H new ATOM 0 HE1 TRP A 74 12.581 5.886 -11.842 1.00 0.00 H new ATOM 0 HE3 TRP A 74 14.522 6.763 -6.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 11.427 4.250 -9.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 13.030 5.033 -6.008 1.00 0.00 H new ATOM 0 HH2 TRP A 74 11.517 3.785 -7.481 1.00 0.00 H new ATOM 1188 N MET A 75 16.806 5.352 -8.484 1.00 0.00 N ATOM 1189 CA MET A 75 16.698 4.323 -7.463 1.00 0.00 C ATOM 1190 C MET A 75 17.996 3.531 -7.371 1.00 0.00 C ATOM 1191 O MET A 75 18.407 2.908 -8.348 1.00 0.00 O ATOM 1192 CB MET A 75 15.557 3.373 -7.786 1.00 0.00 C ATOM 1193 CG MET A 75 15.135 2.518 -6.605 1.00 0.00 C ATOM 1194 SD MET A 75 13.667 1.548 -6.970 1.00 0.00 S ATOM 1195 CE MET A 75 14.161 0.852 -8.539 1.00 0.00 C ATOM 0 H MET A 75 16.701 5.014 -9.441 1.00 0.00 H new ATOM 0 HA MET A 75 16.502 4.811 -6.508 1.00 0.00 H new ATOM 0 HB2 MET A 75 14.700 3.950 -8.132 1.00 0.00 H new ATOM 0 HB3 MET A 75 15.856 2.723 -8.608 1.00 0.00 H new ATOM 0 HG2 MET A 75 15.952 1.851 -6.330 1.00 0.00 H new ATOM 0 HG3 MET A 75 14.942 3.158 -5.744 1.00 0.00 H new ATOM 0 HE1 MET A 75 13.559 -0.032 -8.751 1.00 0.00 H new ATOM 0 HE2 MET A 75 14.012 1.590 -9.327 1.00 0.00 H new ATOM 0 HE3 MET A 75 15.214 0.572 -8.498 1.00 0.00 H new ATOM 1205 N PRO A 76 18.661 3.547 -6.212 1.00 0.00 N ATOM 1206 CA PRO A 76 19.917 2.824 -6.015 1.00 0.00 C ATOM 1207 C PRO A 76 19.759 1.305 -6.085 1.00 0.00 C ATOM 1208 O PRO A 76 18.722 0.764 -5.711 1.00 0.00 O ATOM 1209 CB PRO A 76 20.383 3.237 -4.625 1.00 0.00 C ATOM 1210 CG PRO A 76 19.521 4.388 -4.221 1.00 0.00 C ATOM 1211 CD PRO A 76 18.250 4.277 -5.010 1.00 0.00 C ATOM 0 HA PRO A 76 20.626 3.070 -6.806 1.00 0.00 H new ATOM 0 HB2 PRO A 76 20.285 2.411 -3.920 1.00 0.00 H new ATOM 0 HB3 PRO A 76 21.435 3.523 -4.636 1.00 0.00 H new ATOM 0 HG2 PRO A 76 19.315 4.360 -3.151 1.00 0.00 H new ATOM 0 HG3 PRO A 76 20.021 5.335 -4.425 1.00 0.00 H new ATOM 0 HD2 PRO A 76 17.479 3.740 -4.457 1.00 0.00 H new ATOM 0 HD3 PRO A 76 17.842 5.258 -5.255 1.00 0.00 H new ATOM 1219 N GLU A 77 20.794 0.669 -6.632 1.00 0.00 N ATOM 1220 CA GLU A 77 20.869 -0.785 -6.836 1.00 0.00 C ATOM 1221 C GLU A 77 20.114 -1.554 -5.774 1.00 0.00 C ATOM 1222 O GLU A 77 19.260 -2.387 -6.077 1.00 0.00 O ATOM 1223 CB GLU A 77 22.321 -1.260 -6.851 1.00 0.00 C ATOM 1224 CG GLU A 77 23.167 -0.646 -7.951 1.00 0.00 C ATOM 1225 CD GLU A 77 23.624 0.766 -7.637 1.00 0.00 C ATOM 1226 OE1 GLU A 77 23.792 1.090 -6.440 1.00 0.00 O ATOM 1227 OE2 GLU A 77 23.827 1.550 -8.584 1.00 0.00 O ATOM 0 H GLU A 77 21.628 1.160 -6.955 1.00 0.00 H new ATOM 0 HA GLU A 77 20.404 -0.982 -7.802 1.00 0.00 H new ATOM 0 HB2 GLU A 77 22.776 -1.030 -5.888 1.00 0.00 H new ATOM 0 HB3 GLU A 77 22.335 -2.344 -6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 77 24.041 -1.274 -8.121 1.00 0.00 H new ATOM 0 HG3 GLU A 77 22.595 -0.638 -8.879 1.00 0.00 H new ATOM 1234 N LYS A 78 20.441 -1.293 -4.535 1.00 0.00 N ATOM 1235 CA LYS A 78 19.719 -1.896 -3.440 1.00 0.00 C ATOM 1236 C LYS A 78 18.935 -0.848 -2.683 1.00 0.00 C ATOM 1237 O LYS A 78 19.450 0.227 -2.369 1.00 0.00 O ATOM 1238 CB LYS A 78 20.659 -2.651 -2.501 1.00 0.00 C ATOM 1239 CG LYS A 78 21.214 -3.932 -3.100 1.00 0.00 C ATOM 1240 CD LYS A 78 20.098 -4.803 -3.656 1.00 0.00 C ATOM 1241 CE LYS A 78 20.596 -6.178 -4.072 1.00 0.00 C ATOM 1242 NZ LYS A 78 21.002 -7.002 -2.905 1.00 0.00 N ATOM 0 H LYS A 78 21.199 -0.670 -4.257 1.00 0.00 H new ATOM 0 HA LYS A 78 19.019 -2.619 -3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 78 21.488 -1.998 -2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 78 20.125 -2.891 -1.581 1.00 0.00 H new ATOM 0 HG2 LYS A 78 21.921 -3.690 -3.894 1.00 0.00 H new ATOM 0 HG3 LYS A 78 21.766 -4.484 -2.339 1.00 0.00 H new ATOM 0 HD2 LYS A 78 19.317 -4.914 -2.904 1.00 0.00 H new ATOM 0 HD3 LYS A 78 19.646 -4.307 -4.515 1.00 0.00 H new ATOM 0 HE2 LYS A 78 19.812 -6.695 -4.625 1.00 0.00 H new ATOM 0 HE3 LYS A 78 21.443 -6.067 -4.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 21.140 -7.988 -3.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 21.891 -6.633 -2.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 20.260 -6.963 -2.178 1.00 0.00 H new ATOM 1256 N ILE A 79 17.690 -1.178 -2.389 1.00 0.00 N ATOM 1257 CA ILE A 79 16.767 -0.243 -1.773 1.00 0.00 C ATOM 1258 C ILE A 79 15.679 -0.981 -1.010 1.00 0.00 C ATOM 1259 O ILE A 79 15.231 -2.048 -1.417 1.00 0.00 O ATOM 1260 CB ILE A 79 16.124 0.716 -2.806 1.00 0.00 C ATOM 1261 CG1 ILE A 79 16.116 0.109 -4.215 1.00 0.00 C ATOM 1262 CG2 ILE A 79 16.859 2.041 -2.819 1.00 0.00 C ATOM 1263 CD1 ILE A 79 15.177 -1.058 -4.387 1.00 0.00 C ATOM 0 H ILE A 79 17.292 -2.099 -2.570 1.00 0.00 H new ATOM 0 HA ILE A 79 17.351 0.360 -1.077 1.00 0.00 H new ATOM 0 HB ILE A 79 15.089 0.878 -2.505 1.00 0.00 H new ATOM 0 HG12 ILE A 79 15.845 0.886 -4.930 1.00 0.00 H new ATOM 0 HG13 ILE A 79 17.127 -0.214 -4.463 1.00 0.00 H new ATOM 0 HG21 ILE A 79 16.397 2.706 -3.549 1.00 0.00 H new ATOM 0 HG22 ILE A 79 16.807 2.496 -1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 79 17.902 1.876 -3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.236 -1.424 -5.412 1.00 0.00 H new ATOM 0 HD12 ILE A 79 15.459 -1.856 -3.700 1.00 0.00 H new ATOM 0 HD13 ILE A 79 14.157 -0.739 -4.174 1.00 0.00 H new ATOM 1275 N SER A 80 15.239 -0.379 0.069 1.00 0.00 N ATOM 1276 CA SER A 80 14.283 -1.000 0.960 1.00 0.00 C ATOM 1277 C SER A 80 13.079 -0.085 1.055 1.00 0.00 C ATOM 1278 O SER A 80 13.205 1.081 1.439 1.00 0.00 O ATOM 1279 CB SER A 80 14.911 -1.235 2.337 1.00 0.00 C ATOM 1280 OG SER A 80 14.231 -2.251 3.059 1.00 0.00 O ATOM 0 H SER A 80 15.532 0.555 0.356 1.00 0.00 H new ATOM 0 HA SER A 80 13.977 -1.974 0.577 1.00 0.00 H new ATOM 0 HB2 SER A 80 15.958 -1.513 2.217 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.891 -0.307 2.909 1.00 0.00 H new ATOM 0 HG SER A 80 14.660 -2.375 3.931 1.00 0.00 H new ATOM 1286 N LYS A 81 11.920 -0.595 0.703 1.00 0.00 N ATOM 1287 CA LYS A 81 10.766 0.259 0.533 1.00 0.00 C ATOM 1288 C LYS A 81 9.479 -0.503 0.741 1.00 0.00 C ATOM 1289 O LYS A 81 9.400 -1.697 0.446 1.00 0.00 O ATOM 1290 CB LYS A 81 10.751 0.836 -0.884 1.00 0.00 C ATOM 1291 CG LYS A 81 10.133 2.206 -0.971 1.00 0.00 C ATOM 1292 CD LYS A 81 11.054 3.211 -0.332 1.00 0.00 C ATOM 1293 CE LYS A 81 12.330 3.381 -1.139 1.00 0.00 C ATOM 1294 NZ LYS A 81 13.245 4.369 -0.514 1.00 0.00 N ATOM 0 H LYS A 81 11.752 -1.586 0.530 1.00 0.00 H new ATOM 0 HA LYS A 81 10.837 1.054 1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.773 0.883 -1.259 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.203 0.157 -1.538 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.954 2.471 -2.013 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.165 2.213 -0.470 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.545 4.171 -0.246 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.301 2.889 0.680 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.837 2.420 -1.226 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.081 3.703 -2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.105 4.459 -1.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.770 5.292 -0.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.502 4.048 0.441 1.00 0.00 H new ATOM 1308 N PRO A 82 8.467 0.172 1.301 1.00 0.00 N ATOM 1309 CA PRO A 82 7.089 -0.230 1.108 1.00 0.00 C ATOM 1310 C PRO A 82 6.805 -0.367 -0.377 1.00 0.00 C ATOM 1311 O PRO A 82 7.310 0.414 -1.185 1.00 0.00 O ATOM 1312 CB PRO A 82 6.284 0.922 1.705 1.00 0.00 C ATOM 1313 CG PRO A 82 7.193 1.559 2.698 1.00 0.00 C ATOM 1314 CD PRO A 82 8.597 1.322 2.212 1.00 0.00 C ATOM 0 HA PRO A 82 6.848 -1.188 1.570 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.982 1.632 0.935 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.372 0.561 2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.987 2.626 2.782 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.048 1.127 3.688 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.995 2.197 1.697 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.274 1.103 3.038 1.00 0.00 H new ATOM 1322 N PHE A 83 5.946 -1.294 -0.721 1.00 0.00 N ATOM 1323 CA PHE A 83 5.734 -1.684 -2.084 1.00 0.00 C ATOM 1324 C PHE A 83 4.269 -2.010 -2.256 1.00 0.00 C ATOM 1325 O PHE A 83 3.622 -2.460 -1.312 1.00 0.00 O ATOM 1326 CB PHE A 83 6.575 -2.896 -2.439 1.00 0.00 C ATOM 1327 CG PHE A 83 8.035 -2.608 -2.604 1.00 0.00 C ATOM 1328 CD1 PHE A 83 8.467 -1.380 -3.069 1.00 0.00 C ATOM 1329 CD2 PHE A 83 8.972 -3.567 -2.300 1.00 0.00 C ATOM 1330 CE1 PHE A 83 9.812 -1.117 -3.231 1.00 0.00 C ATOM 1331 CE2 PHE A 83 10.318 -3.317 -2.464 1.00 0.00 C ATOM 1332 CZ PHE A 83 10.742 -2.090 -2.929 1.00 0.00 C ATOM 0 H PHE A 83 5.369 -1.803 -0.051 1.00 0.00 H new ATOM 0 HA PHE A 83 6.028 -0.869 -2.746 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.451 -3.650 -1.661 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.195 -3.328 -3.365 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.742 -0.616 -3.309 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.650 -4.528 -1.928 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.135 -0.152 -3.593 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.041 -4.083 -2.228 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.796 -1.892 -3.056 1.00 0.00 H new ATOM 1342 N VAL A 84 3.741 -1.787 -3.445 1.00 0.00 N ATOM 1343 CA VAL A 84 2.317 -1.957 -3.677 1.00 0.00 C ATOM 1344 C VAL A 84 2.067 -2.295 -5.129 1.00 0.00 C ATOM 1345 O VAL A 84 2.832 -1.897 -6.009 1.00 0.00 O ATOM 1346 CB VAL A 84 1.482 -0.703 -3.316 1.00 0.00 C ATOM 1347 CG1 VAL A 84 0.200 -1.110 -2.648 1.00 0.00 C ATOM 1348 CG2 VAL A 84 2.257 0.256 -2.437 1.00 0.00 C ATOM 0 H VAL A 84 4.273 -1.489 -4.263 1.00 0.00 H new ATOM 0 HA VAL A 84 1.999 -2.768 -3.022 1.00 0.00 H new ATOM 0 HB VAL A 84 1.251 -0.179 -4.244 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.379 -0.221 -2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.378 -1.741 -3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.425 -1.664 -1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.636 1.122 -2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.538 -0.245 -1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.156 0.583 -2.960 1.00 0.00 H new ATOM 1358 N LYS A 85 1.003 -3.030 -5.372 1.00 0.00 N ATOM 1359 CA LYS A 85 0.653 -3.420 -6.717 1.00 0.00 C ATOM 1360 C LYS A 85 -0.851 -3.387 -6.925 1.00 0.00 C ATOM 1361 O LYS A 85 -1.581 -4.252 -6.438 1.00 0.00 O ATOM 1362 CB LYS A 85 1.219 -4.813 -7.037 1.00 0.00 C ATOM 1363 CG LYS A 85 0.653 -5.451 -8.304 1.00 0.00 C ATOM 1364 CD LYS A 85 0.846 -4.570 -9.528 1.00 0.00 C ATOM 1365 CE LYS A 85 0.274 -5.223 -10.776 1.00 0.00 C ATOM 1366 NZ LYS A 85 1.059 -6.416 -11.188 1.00 0.00 N ATOM 0 H LYS A 85 0.365 -3.369 -4.652 1.00 0.00 H new ATOM 0 HA LYS A 85 1.098 -2.700 -7.404 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.302 -4.737 -7.136 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.022 -5.474 -6.193 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.137 -6.413 -8.471 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.410 -5.649 -8.165 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.362 -3.607 -9.365 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.908 -4.373 -9.673 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.760 -5.515 -10.591 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.260 -4.499 -11.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.722 -6.751 -12.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.065 -6.162 -11.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.940 -7.170 -10.482 1.00 0.00 H new ATOM 1380 N LYS A 86 -1.303 -2.377 -7.650 1.00 0.00 N ATOM 1381 CA LYS A 86 -2.694 -2.239 -8.025 1.00 0.00 C ATOM 1382 C LYS A 86 -3.017 -3.260 -9.102 1.00 0.00 C ATOM 1383 O LYS A 86 -2.675 -3.079 -10.272 1.00 0.00 O ATOM 1384 CB LYS A 86 -2.893 -0.810 -8.538 1.00 0.00 C ATOM 1385 CG LYS A 86 -4.319 -0.414 -8.867 1.00 0.00 C ATOM 1386 CD LYS A 86 -4.342 1.004 -9.421 1.00 0.00 C ATOM 1387 CE LYS A 86 -5.753 1.512 -9.640 1.00 0.00 C ATOM 1388 NZ LYS A 86 -5.773 2.883 -10.213 1.00 0.00 N ATOM 0 H LYS A 86 -0.707 -1.625 -7.996 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.359 -2.417 -7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.509 -0.119 -7.787 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.285 -0.679 -9.433 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.740 -1.107 -9.596 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.939 -0.476 -7.973 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.821 1.669 -8.732 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.797 1.032 -10.365 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.282 0.833 -10.308 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.290 1.509 -8.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.758 3.189 -10.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.291 3.538 -9.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.284 2.883 -11.131 1.00 0.00 H new ATOM 1402 N GLU A 87 -3.668 -4.336 -8.697 1.00 0.00 N ATOM 1403 CA GLU A 87 -3.916 -5.449 -9.596 1.00 0.00 C ATOM 1404 C GLU A 87 -5.392 -5.534 -9.952 1.00 0.00 C ATOM 1405 O GLU A 87 -5.754 -5.861 -11.083 1.00 0.00 O ATOM 1406 CB GLU A 87 -3.440 -6.770 -8.979 1.00 0.00 C ATOM 1407 CG GLU A 87 -4.194 -7.180 -7.723 1.00 0.00 C ATOM 1408 CD GLU A 87 -4.179 -8.678 -7.488 1.00 0.00 C ATOM 1409 OE1 GLU A 87 -3.081 -9.257 -7.383 1.00 0.00 O ATOM 1410 OE2 GLU A 87 -5.273 -9.283 -7.403 1.00 0.00 O ATOM 0 H GLU A 87 -4.034 -4.463 -7.753 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.348 -5.274 -10.510 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.538 -7.561 -9.722 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.380 -6.686 -8.741 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.754 -6.678 -6.861 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.227 -6.839 -7.798 1.00 0.00 H new ATOM 1417 N ARG A 88 -6.245 -5.232 -8.983 1.00 0.00 N ATOM 1418 CA ARG A 88 -7.679 -5.298 -9.202 1.00 0.00 C ATOM 1419 C ARG A 88 -8.338 -4.003 -8.782 1.00 0.00 C ATOM 1420 O ARG A 88 -7.861 -3.305 -7.888 1.00 0.00 O ATOM 1421 CB ARG A 88 -8.308 -6.450 -8.428 1.00 0.00 C ATOM 1422 CG ARG A 88 -9.743 -6.736 -8.826 1.00 0.00 C ATOM 1423 CD ARG A 88 -10.336 -7.846 -7.986 1.00 0.00 C ATOM 1424 NE ARG A 88 -11.791 -7.834 -8.032 1.00 0.00 N ATOM 1425 CZ ARG A 88 -12.542 -8.929 -8.011 1.00 0.00 C ATOM 1426 NH1 ARG A 88 -11.970 -10.128 -8.080 1.00 0.00 N ATOM 1427 NH2 ARG A 88 -13.864 -8.825 -7.948 1.00 0.00 N ATOM 0 H ARG A 88 -5.970 -4.941 -8.045 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.837 -5.464 -10.268 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -7.711 -7.349 -8.582 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -8.274 -6.223 -7.363 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -10.341 -5.832 -8.712 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -9.782 -7.014 -9.879 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -9.968 -8.808 -8.342 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -10.003 -7.739 -6.954 1.00 0.00 H new ATOM 0 HE ARG A 88 -12.262 -6.931 -8.083 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -10.955 -10.206 -8.149 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -12.546 -10.970 -8.064 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.302 -7.904 -7.916 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.442 -9.666 -7.932 1.00 0.00 H new ATOM 1441 N ILE A 89 -9.458 -3.726 -9.412 1.00 0.00 N ATOM 1442 CA ILE A 89 -10.196 -2.494 -9.210 1.00 0.00 C ATOM 1443 C ILE A 89 -11.693 -2.780 -9.288 1.00 0.00 C ATOM 1444 O ILE A 89 -12.111 -3.778 -9.879 1.00 0.00 O ATOM 1445 CB ILE A 89 -9.773 -1.420 -10.257 1.00 0.00 C ATOM 1446 CG1 ILE A 89 -8.352 -0.950 -9.971 1.00 0.00 C ATOM 1447 CG2 ILE A 89 -10.711 -0.220 -10.271 1.00 0.00 C ATOM 1448 CD1 ILE A 89 -8.200 -0.342 -8.593 1.00 0.00 C ATOM 0 H ILE A 89 -9.889 -4.356 -10.088 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.966 -2.095 -8.222 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.825 -1.890 -11.239 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.669 -1.794 -10.068 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.059 -0.215 -10.721 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -10.372 0.498 -11.017 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -11.720 -0.550 -10.517 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.713 0.252 -9.288 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.167 -0.026 -8.447 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.860 0.521 -8.501 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -8.463 -1.082 -7.838 1.00 0.00 H new ATOM 1460 N GLU A 90 -12.478 -1.882 -8.724 1.00 0.00 N ATOM 1461 CA GLU A 90 -13.910 -2.025 -8.619 1.00 0.00 C ATOM 1462 C GLU A 90 -14.484 -0.638 -8.840 1.00 0.00 C ATOM 1463 O GLU A 90 -13.726 0.315 -9.031 1.00 0.00 O ATOM 1464 CB GLU A 90 -14.307 -2.579 -7.254 1.00 0.00 C ATOM 1465 CG GLU A 90 -13.640 -3.907 -6.899 1.00 0.00 C ATOM 1466 CD GLU A 90 -14.239 -5.112 -7.602 1.00 0.00 C ATOM 1467 OE1 GLU A 90 -15.379 -5.492 -7.272 1.00 0.00 O ATOM 1468 OE2 GLU A 90 -13.553 -5.719 -8.449 1.00 0.00 O ATOM 0 H GLU A 90 -12.126 -1.015 -8.318 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.295 -2.732 -9.354 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.057 -1.844 -6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.389 -2.710 -7.228 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.580 -3.846 -7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.708 -4.058 -5.822 1.00 0.00 H new ATOM 1475 N LYS A 91 -15.787 -0.502 -8.810 1.00 0.00 N ATOM 1476 CA LYS A 91 -16.399 0.764 -9.202 1.00 0.00 C ATOM 1477 C LYS A 91 -16.287 1.823 -8.112 1.00 0.00 C ATOM 1478 O LYS A 91 -16.867 1.715 -7.032 1.00 0.00 O ATOM 1479 CB LYS A 91 -17.844 0.573 -9.650 1.00 0.00 C ATOM 1480 CG LYS A 91 -18.705 -0.252 -8.711 1.00 0.00 C ATOM 1481 CD LYS A 91 -19.974 -0.705 -9.416 1.00 0.00 C ATOM 1482 CE LYS A 91 -19.653 -1.665 -10.554 1.00 0.00 C ATOM 1483 NZ LYS A 91 -20.814 -1.878 -11.456 1.00 0.00 N ATOM 0 H LYS A 91 -16.442 -1.231 -8.526 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.835 1.133 -10.058 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -18.303 1.554 -9.772 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -17.844 0.097 -10.631 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -18.145 -1.120 -8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -18.961 0.337 -7.830 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -20.637 -1.192 -8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -20.507 0.162 -9.806 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -18.815 -1.274 -11.131 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -19.337 -2.623 -10.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -20.548 -2.538 -12.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -21.607 -2.276 -10.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -21.101 -0.969 -11.873 1.00 0.00 H new