USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 293 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 Single : A 5 SER OG : rot 180:sc= -0.171 USER MOD Single : A 7 SER OG : rot 180:sc= 0.0631 USER MOD Single : A 11 THR OG1 : rot 105:sc= 1 USER MOD Single : A 13 HIS : no HE2:sc= 1.02 K(o=1,f=-4.5!) USER MOD Single : A 17 THR OG1 : rot 90:sc= 1.21 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.84 K(o=-1.8,f=-13!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.816 K(o=-0.82,f=-8.2!) USER MOD Single : A 33 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.042) USER MOD Single : A 34 ASN : amide:sc= 0.32 X(o=0.32,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N SER A 5 1.574 27.807 -8.938 1.00 0.00 N ATOM 44 CA SER A 5 1.279 26.375 -8.795 1.00 0.00 C ATOM 45 C SER A 5 2.420 25.590 -8.139 1.00 0.00 C ATOM 46 O SER A 5 2.364 24.357 -8.066 1.00 0.00 O ATOM 47 CB SER A 5 0.952 25.767 -10.161 1.00 0.00 C ATOM 48 OG SER A 5 0.337 24.498 -10.020 1.00 0.00 O ATOM 0 HA SER A 5 0.417 26.298 -8.133 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.291 26.436 -10.711 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.866 25.669 -10.747 1.00 0.00 H new ATOM 0 HG SER A 5 0.137 24.131 -10.906 1.00 0.00 H new ATOM 54 N LEU A 6 3.438 26.293 -7.646 1.00 0.00 N ATOM 55 CA LEU A 6 4.572 25.635 -6.988 1.00 0.00 C ATOM 56 C LEU A 6 4.122 24.887 -5.733 1.00 0.00 C ATOM 57 O LEU A 6 4.569 23.770 -5.474 1.00 0.00 O ATOM 58 CB LEU A 6 5.682 26.639 -6.645 1.00 0.00 C ATOM 59 CG LEU A 6 5.233 27.900 -5.907 1.00 0.00 C ATOM 60 CD1 LEU A 6 5.256 27.684 -4.402 1.00 0.00 C ATOM 61 CD2 LEU A 6 6.116 29.078 -6.284 1.00 0.00 C ATOM 0 H LEU A 6 3.504 27.310 -7.687 1.00 0.00 H new ATOM 0 HA LEU A 6 4.979 24.910 -7.693 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.430 26.131 -6.036 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.174 26.938 -7.570 1.00 0.00 H new ATOM 0 HG LEU A 6 4.208 28.121 -6.205 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.933 28.595 -3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.583 26.867 -4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.269 27.435 -4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.783 29.968 -5.750 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.149 28.859 -6.015 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.050 29.253 -7.358 1.00 0.00 H new ATOM 73 N SER A 7 3.221 25.501 -4.970 1.00 0.00 N ATOM 74 CA SER A 7 2.692 24.886 -3.752 1.00 0.00 C ATOM 75 C SER A 7 1.626 23.839 -4.081 1.00 0.00 C ATOM 76 O SER A 7 1.372 22.928 -3.289 1.00 0.00 O ATOM 77 CB SER A 7 2.106 25.954 -2.822 1.00 0.00 C ATOM 78 OG SER A 7 1.477 26.990 -3.563 1.00 0.00 O ATOM 0 H SER A 7 2.841 26.425 -5.173 1.00 0.00 H new ATOM 0 HA SER A 7 3.518 24.388 -3.245 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.383 25.496 -2.147 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.898 26.375 -2.203 1.00 0.00 H new ATOM 0 HG SER A 7 1.110 27.657 -2.946 1.00 0.00 H new ATOM 84 N ILE A 8 1.005 23.972 -5.253 1.00 0.00 N ATOM 85 CA ILE A 8 -0.032 23.040 -5.694 1.00 0.00 C ATOM 86 C ILE A 8 0.554 21.684 -6.046 1.00 0.00 C ATOM 87 O ILE A 8 0.085 20.649 -5.568 1.00 0.00 O ATOM 88 CB ILE A 8 -0.813 23.598 -6.907 1.00 0.00 C ATOM 89 CG1 ILE A 8 -1.354 24.997 -6.599 1.00 0.00 C ATOM 90 CG2 ILE A 8 -1.953 22.667 -7.292 1.00 0.00 C ATOM 91 CD1 ILE A 8 -1.972 25.685 -7.797 1.00 0.00 C ATOM 0 H ILE A 8 1.204 24.720 -5.917 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.722 22.917 -4.859 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.125 23.666 -7.750 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.100 24.923 -5.808 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.542 25.615 -6.214 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.487 23.081 -8.147 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.551 21.688 -7.554 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.639 22.564 -6.451 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.333 26.671 -7.504 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.223 25.792 -8.582 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.805 25.089 -8.169 1.00 0.00 H new ATOM 103 N ASP A 9 1.577 21.710 -6.875 1.00 0.00 N ATOM 104 CA ASP A 9 2.263 20.490 -7.317 1.00 0.00 C ATOM 105 C ASP A 9 2.586 19.560 -6.142 1.00 0.00 C ATOM 106 O ASP A 9 2.402 18.342 -6.230 1.00 0.00 O ATOM 107 CB ASP A 9 3.545 20.848 -8.083 1.00 0.00 C ATOM 108 CG ASP A 9 4.046 19.707 -8.951 1.00 0.00 C ATOM 109 OD1 ASP A 9 4.381 18.639 -8.395 1.00 0.00 O ATOM 110 OD2 ASP A 9 4.105 19.882 -10.186 1.00 0.00 O ATOM 0 H ASP A 9 1.964 22.569 -7.266 1.00 0.00 H new ATOM 0 HA ASP A 9 1.586 19.954 -7.983 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.358 21.720 -8.709 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.323 21.127 -7.372 1.00 0.00 H new ATOM 115 N LEU A 10 3.063 20.143 -5.045 1.00 0.00 N ATOM 116 CA LEU A 10 3.413 19.373 -3.849 1.00 0.00 C ATOM 117 C LEU A 10 2.178 19.070 -2.989 1.00 0.00 C ATOM 118 O LEU A 10 1.966 17.922 -2.586 1.00 0.00 O ATOM 119 CB LEU A 10 4.473 20.116 -3.022 1.00 0.00 C ATOM 120 CG LEU A 10 4.058 21.494 -2.498 1.00 0.00 C ATOM 121 CD1 LEU A 10 3.620 21.404 -1.045 1.00 0.00 C ATOM 122 CD2 LEU A 10 5.199 22.487 -2.648 1.00 0.00 C ATOM 0 H LEU A 10 3.217 21.147 -4.957 1.00 0.00 H new ATOM 0 HA LEU A 10 3.827 18.421 -4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.748 19.492 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.368 20.234 -3.633 1.00 0.00 H new ATOM 0 HG LEU A 10 3.214 21.846 -3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.329 22.393 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.772 20.725 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.445 21.030 -0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.886 23.461 -2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.062 22.138 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.468 22.575 -3.700 1.00 0.00 H new ATOM 134 N THR A 11 1.364 20.093 -2.712 1.00 0.00 N ATOM 135 CA THR A 11 0.153 19.914 -1.902 1.00 0.00 C ATOM 136 C THR A 11 -0.787 18.911 -2.555 1.00 0.00 C ATOM 137 O THR A 11 -1.248 17.973 -1.903 1.00 0.00 O ATOM 138 CB THR A 11 -0.570 21.245 -1.684 1.00 0.00 C ATOM 139 OG1 THR A 11 0.333 22.250 -1.264 1.00 0.00 O ATOM 140 CG2 THR A 11 -1.666 21.170 -0.644 1.00 0.00 C ATOM 0 H THR A 11 1.519 21.048 -3.034 1.00 0.00 H new ATOM 0 HA THR A 11 0.460 19.528 -0.930 1.00 0.00 H new ATOM 0 HB THR A 11 -1.013 21.485 -2.650 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.517 22.857 -2.011 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.136 22.148 -0.540 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.413 20.439 -0.954 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.240 20.869 0.313 1.00 0.00 H new ATOM 148 N PHE A 12 -1.052 19.092 -3.852 1.00 0.00 N ATOM 149 CA PHE A 12 -1.917 18.179 -4.587 1.00 0.00 C ATOM 150 C PHE A 12 -1.314 16.769 -4.627 1.00 0.00 C ATOM 151 O PHE A 12 -2.027 15.786 -4.823 1.00 0.00 O ATOM 152 CB PHE A 12 -2.141 18.705 -6.002 1.00 0.00 C ATOM 153 CG PHE A 12 -3.572 19.050 -6.288 1.00 0.00 C ATOM 154 CD1 PHE A 12 -4.105 20.246 -5.835 1.00 0.00 C ATOM 155 CD2 PHE A 12 -4.383 18.185 -7.001 1.00 0.00 C ATOM 156 CE1 PHE A 12 -5.425 20.571 -6.090 1.00 0.00 C ATOM 157 CE2 PHE A 12 -5.703 18.503 -7.259 1.00 0.00 C ATOM 158 CZ PHE A 12 -6.225 19.698 -6.803 1.00 0.00 C ATOM 0 H PHE A 12 -0.679 19.861 -4.409 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.877 18.119 -4.074 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.524 19.590 -6.155 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.805 17.955 -6.718 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.484 20.931 -5.277 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.980 17.250 -7.360 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.830 21.506 -5.732 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.325 17.818 -7.816 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.256 19.950 -7.003 1.00 0.00 H new ATOM 168 N HIS A 13 0.003 16.683 -4.422 1.00 0.00 N ATOM 169 CA HIS A 13 0.710 15.415 -4.410 1.00 0.00 C ATOM 170 C HIS A 13 0.606 14.766 -3.026 1.00 0.00 C ATOM 171 O HIS A 13 0.276 13.580 -2.902 1.00 0.00 O ATOM 172 CB HIS A 13 2.175 15.664 -4.766 1.00 0.00 C ATOM 173 CG HIS A 13 2.580 15.141 -6.107 1.00 0.00 C ATOM 174 ND1 HIS A 13 2.964 15.966 -7.141 1.00 0.00 N ATOM 175 CD2 HIS A 13 2.668 13.878 -6.580 1.00 0.00 C ATOM 176 CE1 HIS A 13 3.272 15.233 -8.195 1.00 0.00 C ATOM 177 NE2 HIS A 13 3.101 13.960 -7.882 1.00 0.00 N ATOM 0 H HIS A 13 0.602 17.493 -4.261 1.00 0.00 H new ATOM 0 HA HIS A 13 0.265 14.739 -5.140 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.367 16.736 -4.734 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.805 15.204 -4.004 1.00 0.00 H new ATOM 0 HD1 HIS A 13 3.004 16.984 -7.099 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.441 12.973 -6.036 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.607 15.609 -9.150 1.00 0.00 H new ATOM 186 N LEU A 14 0.887 15.555 -1.984 1.00 0.00 N ATOM 187 CA LEU A 14 0.822 15.067 -0.607 1.00 0.00 C ATOM 188 C LEU A 14 -0.621 14.754 -0.199 1.00 0.00 C ATOM 189 O LEU A 14 -0.897 13.672 0.326 1.00 0.00 O ATOM 190 CB LEU A 14 1.458 16.074 0.367 1.00 0.00 C ATOM 191 CG LEU A 14 0.928 17.506 0.292 1.00 0.00 C ATOM 192 CD1 LEU A 14 -0.134 17.746 1.352 1.00 0.00 C ATOM 193 CD2 LEU A 14 2.069 18.497 0.452 1.00 0.00 C ATOM 0 H LEU A 14 1.161 16.534 -2.070 1.00 0.00 H new ATOM 0 HA LEU A 14 1.394 14.141 -0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.314 15.707 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.533 16.096 0.186 1.00 0.00 H new ATOM 0 HG LEU A 14 0.470 17.651 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.496 18.772 1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.964 17.056 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.295 17.582 2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.679 19.513 0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.550 18.345 1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.798 18.344 -0.344 1.00 0.00 H new ATOM 205 N LEU A 15 -1.543 15.691 -0.452 1.00 0.00 N ATOM 206 CA LEU A 15 -2.951 15.477 -0.109 1.00 0.00 C ATOM 207 C LEU A 15 -3.514 14.285 -0.876 1.00 0.00 C ATOM 208 O LEU A 15 -4.251 13.467 -0.320 1.00 0.00 O ATOM 209 CB LEU A 15 -3.787 16.744 -0.364 1.00 0.00 C ATOM 210 CG LEU A 15 -4.063 17.085 -1.834 1.00 0.00 C ATOM 211 CD1 LEU A 15 -5.281 16.331 -2.343 1.00 0.00 C ATOM 212 CD2 LEU A 15 -4.264 18.582 -2.001 1.00 0.00 C ATOM 0 H LEU A 15 -1.342 16.592 -0.887 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.009 15.255 0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.743 16.633 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.276 17.591 0.095 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.199 16.779 -2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.458 16.588 -3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.107 15.258 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.153 16.605 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.459 18.808 -3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.112 18.905 -1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.366 19.108 -1.677 1.00 0.00 H new ATOM 224 N ARG A 16 -3.126 14.170 -2.143 1.00 0.00 N ATOM 225 CA ARG A 16 -3.558 13.052 -2.971 1.00 0.00 C ATOM 226 C ARG A 16 -3.095 11.751 -2.336 1.00 0.00 C ATOM 227 O ARG A 16 -3.886 10.845 -2.099 1.00 0.00 O ATOM 228 CB ARG A 16 -2.985 13.176 -4.380 1.00 0.00 C ATOM 229 CG ARG A 16 -3.006 11.869 -5.157 1.00 0.00 C ATOM 230 CD ARG A 16 -3.458 12.064 -6.593 1.00 0.00 C ATOM 231 NE ARG A 16 -2.912 13.287 -7.189 1.00 0.00 N ATOM 232 CZ ARG A 16 -3.250 13.745 -8.385 1.00 0.00 C ATOM 233 NH1 ARG A 16 -4.123 13.089 -9.124 1.00 0.00 N ATOM 234 NH2 ARG A 16 -2.713 14.860 -8.838 1.00 0.00 N ATOM 0 H ARG A 16 -2.515 14.836 -2.616 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.646 13.060 -3.041 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.552 13.927 -4.930 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.958 13.536 -4.316 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.010 11.427 -5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.672 11.164 -4.661 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.150 11.204 -7.188 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.547 12.101 -6.627 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.229 13.818 -6.649 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.540 12.226 -8.775 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.381 13.444 -10.045 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.038 15.369 -8.268 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.973 15.214 -9.759 1.00 0.00 H new ATOM 248 N THR A 17 -1.801 11.681 -2.044 1.00 0.00 N ATOM 249 CA THR A 17 -1.215 10.501 -1.416 1.00 0.00 C ATOM 250 C THR A 17 -1.936 10.159 -0.112 1.00 0.00 C ATOM 251 O THR A 17 -2.167 8.988 0.181 1.00 0.00 O ATOM 252 CB THR A 17 0.278 10.725 -1.150 1.00 0.00 C ATOM 253 OG1 THR A 17 0.933 11.216 -2.309 1.00 0.00 O ATOM 254 CG2 THR A 17 1.005 9.469 -0.727 1.00 0.00 C ATOM 0 H THR A 17 -1.135 12.430 -2.233 1.00 0.00 H new ATOM 0 HA THR A 17 -1.331 9.661 -2.101 1.00 0.00 H new ATOM 0 HB THR A 17 0.314 11.448 -0.335 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.899 12.195 -2.314 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.057 9.698 -0.555 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.562 9.084 0.192 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.921 8.718 -1.512 1.00 0.00 H new ATOM 262 N LEU A 18 -2.299 11.184 0.666 1.00 0.00 N ATOM 263 CA LEU A 18 -2.998 10.966 1.934 1.00 0.00 C ATOM 264 C LEU A 18 -4.426 10.451 1.705 1.00 0.00 C ATOM 265 O LEU A 18 -4.927 9.634 2.480 1.00 0.00 O ATOM 266 CB LEU A 18 -3.004 12.260 2.772 1.00 0.00 C ATOM 267 CG LEU A 18 -4.323 13.040 2.801 1.00 0.00 C ATOM 268 CD1 LEU A 18 -5.241 12.505 3.889 1.00 0.00 C ATOM 269 CD2 LEU A 18 -4.060 14.522 3.016 1.00 0.00 C ATOM 0 H LEU A 18 -2.122 12.163 0.442 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.460 10.197 2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.733 12.006 3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.224 12.919 2.390 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.817 12.909 1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.171 13.073 3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.458 11.454 3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.753 12.604 4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.007 15.061 3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.543 14.666 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.441 14.903 2.204 1.00 0.00 H new ATOM 281 N LEU A 19 -5.079 10.933 0.645 1.00 0.00 N ATOM 282 CA LEU A 19 -6.447 10.513 0.335 1.00 0.00 C ATOM 283 C LEU A 19 -6.485 9.259 -0.543 1.00 0.00 C ATOM 284 O LEU A 19 -7.412 8.455 -0.443 1.00 0.00 O ATOM 285 CB LEU A 19 -7.218 11.658 -0.336 1.00 0.00 C ATOM 286 CG LEU A 19 -6.908 11.887 -1.819 1.00 0.00 C ATOM 287 CD1 LEU A 19 -7.850 11.081 -2.697 1.00 0.00 C ATOM 288 CD2 LEU A 19 -7.004 13.365 -2.158 1.00 0.00 C ATOM 0 H LEU A 19 -4.686 11.610 -0.009 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.928 10.260 1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.285 11.463 -0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.009 12.580 0.207 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.889 11.550 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.612 11.259 -3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.737 10.020 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.878 11.385 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.781 13.511 -3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.012 13.722 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.288 13.924 -1.556 1.00 0.00 H new ATOM 315 N LEU A 21 -4.200 6.920 -0.466 1.00 0.00 N ATOM 316 CA LEU A 21 -3.506 5.836 0.229 1.00 0.00 C ATOM 317 C LEU A 21 -4.443 4.642 0.417 1.00 0.00 C ATOM 318 O LEU A 21 -4.043 3.494 0.213 1.00 0.00 O ATOM 319 CB LEU A 21 -2.941 6.314 1.577 1.00 0.00 C ATOM 320 CG LEU A 21 -3.955 6.486 2.713 1.00 0.00 C ATOM 321 CD1 LEU A 21 -4.265 5.149 3.367 1.00 0.00 C ATOM 322 CD2 LEU A 21 -3.427 7.465 3.747 1.00 0.00 C ATOM 0 HA LEU A 21 -2.663 5.518 -0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.181 5.603 1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.439 7.268 1.419 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.877 6.883 2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.987 5.296 4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.682 4.469 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.349 4.723 3.776 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.158 7.577 4.548 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.491 7.089 4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.253 8.433 3.276 1.00 0.00 H new ATOM 334 N ALA A 22 -5.701 4.920 0.770 1.00 0.00 N ATOM 335 CA ALA A 22 -6.696 3.864 0.945 1.00 0.00 C ATOM 336 C ALA A 22 -6.844 3.070 -0.349 1.00 0.00 C ATOM 337 O ALA A 22 -6.834 1.837 -0.345 1.00 0.00 O ATOM 338 CB ALA A 22 -8.033 4.457 1.377 1.00 0.00 C ATOM 0 H ALA A 22 -6.051 5.863 0.939 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.360 3.187 1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.762 3.657 1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.908 4.986 2.322 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.385 5.153 0.616 1.00 0.00 H new ATOM 344 N ARG A 23 -6.942 3.799 -1.457 1.00 0.00 N ATOM 345 CA ARG A 23 -7.052 3.186 -2.777 1.00 0.00 C ATOM 346 C ARG A 23 -5.796 2.379 -3.076 1.00 0.00 C ATOM 347 O ARG A 23 -5.875 1.201 -3.431 1.00 0.00 O ATOM 348 CB ARG A 23 -7.255 4.260 -3.853 1.00 0.00 C ATOM 349 CG ARG A 23 -8.680 4.783 -3.933 1.00 0.00 C ATOM 350 CD ARG A 23 -9.480 4.066 -5.007 1.00 0.00 C ATOM 351 NE ARG A 23 -10.902 4.413 -4.940 1.00 0.00 N ATOM 352 CZ ARG A 23 -11.715 4.484 -5.991 1.00 0.00 C ATOM 353 NH1 ARG A 23 -11.282 4.192 -7.202 1.00 0.00 N ATOM 354 NH2 ARG A 23 -12.973 4.838 -5.821 1.00 0.00 N ATOM 0 H ARG A 23 -6.947 4.819 -1.467 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.916 2.522 -2.784 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.582 5.094 -3.653 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.973 3.848 -4.822 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.170 4.655 -2.968 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.664 5.852 -4.143 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.087 4.327 -5.990 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.362 2.989 -4.892 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.297 4.615 -4.022 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.313 3.907 -7.342 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.917 4.251 -7.998 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.320 5.056 -4.887 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.600 4.894 -6.624 1.00 0.00 H new ATOM 368 N THR A 24 -4.633 3.013 -2.907 1.00 0.00 N ATOM 369 CA THR A 24 -3.357 2.339 -3.142 1.00 0.00 C ATOM 370 C THR A 24 -3.242 1.100 -2.255 1.00 0.00 C ATOM 371 O THR A 24 -2.813 0.041 -2.715 1.00 0.00 O ATOM 372 CB THR A 24 -2.179 3.300 -2.911 1.00 0.00 C ATOM 373 OG1 THR A 24 -1.249 3.208 -3.974 1.00 0.00 O ATOM 374 CG2 THR A 24 -1.414 3.064 -1.626 1.00 0.00 C ATOM 0 H THR A 24 -4.550 3.985 -2.610 1.00 0.00 H new ATOM 0 HA THR A 24 -3.320 2.018 -4.183 1.00 0.00 H new ATOM 0 HB THR A 24 -2.641 4.285 -2.850 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.506 3.827 -3.813 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.602 3.787 -1.548 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.086 3.180 -0.776 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.002 2.055 -1.628 1.00 0.00 H new ATOM 382 N GLN A 25 -3.656 1.230 -0.991 1.00 0.00 N ATOM 383 CA GLN A 25 -3.621 0.104 -0.064 1.00 0.00 C ATOM 384 C GLN A 25 -4.623 -0.957 -0.502 1.00 0.00 C ATOM 385 O GLN A 25 -4.277 -2.132 -0.635 1.00 0.00 O ATOM 386 CB GLN A 25 -3.909 0.562 1.369 1.00 0.00 C ATOM 387 CG GLN A 25 -2.994 -0.078 2.406 1.00 0.00 C ATOM 388 CD GLN A 25 -1.521 0.159 2.122 1.00 0.00 C ATOM 389 OE1 GLN A 25 -0.917 -0.520 1.290 1.00 0.00 O ATOM 390 NE2 GLN A 25 -0.933 1.128 2.809 1.00 0.00 N ATOM 0 H GLN A 25 -4.016 2.097 -0.592 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.620 -0.327 -0.079 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.805 1.646 1.424 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.945 0.328 1.616 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.237 0.319 3.392 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.184 -1.151 2.438 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.468 1.668 3.489 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.054 1.334 2.657 1.00 0.00 H new ATOM 399 N SER A 26 -5.857 -0.533 -0.765 1.00 0.00 N ATOM 400 CA SER A 26 -6.898 -1.451 -1.230 1.00 0.00 C ATOM 401 C SER A 26 -6.455 -2.138 -2.523 1.00 0.00 C ATOM 402 O SER A 26 -6.732 -3.319 -2.734 1.00 0.00 O ATOM 403 CB SER A 26 -8.220 -0.713 -1.453 1.00 0.00 C ATOM 404 OG SER A 26 -9.330 -1.568 -1.213 1.00 0.00 O ATOM 0 H SER A 26 -6.161 0.435 -0.665 1.00 0.00 H new ATOM 0 HA SER A 26 -7.055 -2.206 -0.460 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.273 0.152 -0.792 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.262 -0.336 -2.475 1.00 0.00 H new ATOM 0 HG SER A 26 -10.163 -1.072 -1.361 1.00 0.00 H new ATOM 410 N GLN A 27 -5.745 -1.387 -3.378 1.00 0.00 N ATOM 411 CA GLN A 27 -5.241 -1.914 -4.646 1.00 0.00 C ATOM 412 C GLN A 27 -4.472 -3.220 -4.435 1.00 0.00 C ATOM 413 O GLN A 27 -4.633 -4.171 -5.199 1.00 0.00 O ATOM 414 CB GLN A 27 -4.362 -0.872 -5.348 1.00 0.00 C ATOM 415 CG GLN A 27 -4.120 -1.178 -6.821 1.00 0.00 C ATOM 416 CD GLN A 27 -5.409 -1.418 -7.588 1.00 0.00 C ATOM 417 OE1 GLN A 27 -5.807 -2.561 -7.816 1.00 0.00 O ATOM 418 NE2 GLN A 27 -6.070 -0.343 -7.987 1.00 0.00 N ATOM 0 H GLN A 27 -5.508 -0.409 -3.209 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.096 -2.132 -5.286 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.832 0.107 -5.261 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.402 -0.812 -4.835 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.580 -0.348 -7.277 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.482 -2.058 -6.905 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.706 0.587 -7.778 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.944 -0.444 -8.504 1.00 0.00 H new ATOM 427 N ARG A 28 -3.667 -3.273 -3.376 1.00 0.00 N ATOM 428 CA ARG A 28 -2.920 -4.490 -3.052 1.00 0.00 C ATOM 429 C ARG A 28 -3.777 -5.390 -2.161 1.00 0.00 C ATOM 430 O ARG A 28 -3.785 -6.615 -2.314 1.00 0.00 O ATOM 431 CB ARG A 28 -1.578 -4.174 -2.378 1.00 0.00 C ATOM 432 CG ARG A 28 -1.675 -3.200 -1.220 1.00 0.00 C ATOM 433 CD ARG A 28 -0.409 -3.208 -0.379 1.00 0.00 C ATOM 434 NE ARG A 28 0.774 -2.838 -1.165 1.00 0.00 N ATOM 435 CZ ARG A 28 1.371 -1.649 -1.126 1.00 0.00 C ATOM 436 NH1 ARG A 28 0.914 -0.681 -0.352 1.00 0.00 N ATOM 437 NH2 ARG A 28 2.436 -1.428 -1.872 1.00 0.00 N ATOM 0 H ARG A 28 -3.515 -2.497 -2.732 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.692 -5.011 -3.982 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.137 -5.104 -2.019 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.897 -3.766 -3.125 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.853 -2.195 -1.602 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.530 -3.459 -0.595 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.523 -2.514 0.454 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.264 -4.200 0.049 1.00 0.00 H new ATOM 0 HE ARG A 28 1.168 -3.544 -1.787 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.090 -0.838 0.229 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.385 0.224 -0.335 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.798 -2.166 -2.475 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.897 -0.519 -1.846 1.00 0.00 H new ATOM 451 N GLU A 29 -4.522 -4.758 -1.248 1.00 0.00 N ATOM 452 CA GLU A 29 -5.418 -5.459 -0.340 1.00 0.00 C ATOM 453 C GLU A 29 -6.265 -6.485 -1.087 1.00 0.00 C ATOM 454 O GLU A 29 -6.342 -7.644 -0.689 1.00 0.00 O ATOM 455 CB GLU A 29 -6.324 -4.442 0.360 1.00 0.00 C ATOM 456 CG GLU A 29 -6.529 -4.719 1.835 1.00 0.00 C ATOM 457 CD GLU A 29 -7.973 -4.550 2.268 1.00 0.00 C ATOM 458 OE1 GLU A 29 -8.458 -3.398 2.288 1.00 0.00 O ATOM 459 OE2 GLU A 29 -8.619 -5.568 2.583 1.00 0.00 O ATOM 0 H GLU A 29 -4.516 -3.746 -1.123 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.820 -5.992 0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.895 -3.447 0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.294 -4.432 -0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.204 -5.735 2.058 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.898 -4.047 2.418 1.00 0.00 H new ATOM 466 N ARG A 30 -6.891 -6.044 -2.177 1.00 0.00 N ATOM 467 CA ARG A 30 -7.740 -6.913 -3.000 1.00 0.00 C ATOM 468 C ARG A 30 -7.025 -8.211 -3.390 1.00 0.00 C ATOM 469 O ARG A 30 -7.648 -9.272 -3.457 1.00 0.00 O ATOM 470 CB ARG A 30 -8.197 -6.170 -4.260 1.00 0.00 C ATOM 471 CG ARG A 30 -7.053 -5.533 -5.031 1.00 0.00 C ATOM 472 CD ARG A 30 -7.490 -5.022 -6.394 1.00 0.00 C ATOM 473 NE ARG A 30 -7.372 -6.058 -7.424 1.00 0.00 N ATOM 474 CZ ARG A 30 -6.759 -5.903 -8.598 1.00 0.00 C ATOM 475 NH1 ARG A 30 -6.158 -4.767 -8.914 1.00 0.00 N ATOM 476 NH2 ARG A 30 -6.739 -6.903 -9.460 1.00 0.00 N ATOM 0 H ARG A 30 -6.827 -5.084 -2.515 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.609 -7.181 -2.400 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.723 -6.866 -4.913 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.911 -5.396 -3.978 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.642 -4.707 -4.450 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.253 -6.262 -5.158 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.523 -4.678 -6.340 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.882 -4.161 -6.672 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.791 -6.967 -7.228 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.158 -3.989 -8.254 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.695 -4.669 -9.817 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.191 -7.787 -9.226 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.272 -6.791 -10.360 1.00 0.00 H new ATOM 490 N ALA A 31 -5.720 -8.118 -3.641 1.00 0.00 N ATOM 491 CA ALA A 31 -4.923 -9.284 -4.018 1.00 0.00 C ATOM 492 C ALA A 31 -4.560 -10.116 -2.789 1.00 0.00 C ATOM 493 O ALA A 31 -4.645 -11.346 -2.811 1.00 0.00 O ATOM 494 CB ALA A 31 -3.670 -8.844 -4.762 1.00 0.00 C ATOM 0 H ALA A 31 -5.192 -7.247 -3.590 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.519 -9.911 -4.681 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.084 -9.721 -5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.954 -8.299 -5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.074 -8.197 -4.119 1.00 0.00 H new ATOM 500 N GLU A 32 -4.172 -9.432 -1.718 1.00 0.00 N ATOM 501 CA GLU A 32 -3.806 -10.093 -0.465 1.00 0.00 C ATOM 502 C GLU A 32 -5.037 -10.678 0.213 1.00 0.00 C ATOM 503 O GLU A 32 -5.053 -11.851 0.583 1.00 0.00 O ATOM 504 CB GLU A 32 -3.111 -9.103 0.473 1.00 0.00 C ATOM 505 CG GLU A 32 -1.659 -9.458 0.784 1.00 0.00 C ATOM 506 CD GLU A 32 -0.843 -9.795 -0.452 1.00 0.00 C ATOM 507 OE1 GLU A 32 -0.790 -8.961 -1.378 1.00 0.00 O ATOM 508 OE2 GLU A 32 -0.247 -10.893 -0.486 1.00 0.00 O ATOM 0 H GLU A 32 -4.102 -8.415 -1.690 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.117 -10.906 -0.695 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.144 -8.110 0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.670 -9.050 1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.191 -8.621 1.302 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.638 -10.307 1.467 1.00 0.00 H new ATOM 515 N GLN A 33 -6.078 -9.869 0.358 1.00 0.00 N ATOM 516 CA GLN A 33 -7.313 -10.339 0.974 1.00 0.00 C ATOM 517 C GLN A 33 -7.845 -11.554 0.220 1.00 0.00 C ATOM 518 O GLN A 33 -8.384 -12.484 0.822 1.00 0.00 O ATOM 519 CB GLN A 33 -8.361 -9.227 1.008 1.00 0.00 C ATOM 520 CG GLN A 33 -8.607 -8.676 2.404 1.00 0.00 C ATOM 521 CD GLN A 33 -9.660 -9.454 3.162 1.00 0.00 C ATOM 522 OE1 GLN A 33 -9.357 -10.417 3.862 1.00 0.00 O ATOM 523 NE2 GLN A 33 -10.908 -9.039 3.028 1.00 0.00 N ATOM 0 H GLN A 33 -6.094 -8.893 0.061 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.098 -10.630 2.002 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.040 -8.415 0.355 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.299 -9.609 0.605 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.674 -8.693 2.966 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.915 -7.633 2.329 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.117 -8.235 2.437 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.662 -9.523 3.516 1.00 0.00 H new ATOM 532 N ASN A 34 -7.658 -11.554 -1.104 1.00 0.00 N ATOM 533 CA ASN A 34 -8.085 -12.665 -1.938 1.00 0.00 C ATOM 534 C ASN A 34 -7.366 -13.949 -1.525 1.00 0.00 C ATOM 535 O ASN A 34 -7.989 -15.004 -1.414 1.00 0.00 O ATOM 536 CB ASN A 34 -7.815 -12.355 -3.412 1.00 0.00 C ATOM 537 CG ASN A 34 -9.073 -12.401 -4.252 1.00 0.00 C ATOM 538 OD1 ASN A 34 -9.489 -13.461 -4.710 1.00 0.00 O ATOM 539 ND2 ASN A 34 -9.688 -11.248 -4.459 1.00 0.00 N ATOM 0 H ASN A 34 -7.212 -10.792 -1.615 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.157 -12.810 -1.802 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.362 -11.367 -3.495 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.093 -13.071 -3.805 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.541 -11.218 -5.017 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.309 -10.389 -4.060 1.00 0.00 H new ATOM 546 N ARG A 35 -6.053 -13.853 -1.278 1.00 0.00 N ATOM 547 CA ARG A 35 -5.280 -15.020 -0.858 1.00 0.00 C ATOM 548 C ARG A 35 -5.508 -15.325 0.623 1.00 0.00 C ATOM 549 O ARG A 35 -5.474 -16.482 1.035 1.00 0.00 O ATOM 550 CB ARG A 35 -3.787 -14.834 -1.160 1.00 0.00 C ATOM 551 CG ARG A 35 -3.075 -13.908 -0.190 1.00 0.00 C ATOM 552 CD ARG A 35 -1.639 -13.647 -0.607 1.00 0.00 C ATOM 553 NE ARG A 35 -0.699 -14.541 0.078 1.00 0.00 N ATOM 554 CZ ARG A 35 0.481 -14.171 0.573 1.00 0.00 C ATOM 555 NH1 ARG A 35 0.897 -12.919 0.481 1.00 0.00 N ATOM 556 NH2 ARG A 35 1.250 -15.063 1.167 1.00 0.00 N ATOM 0 H ARG A 35 -5.514 -12.991 -1.361 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.631 -15.876 -1.434 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.298 -15.808 -1.142 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.677 -14.440 -2.170 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.613 -12.962 -0.130 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.089 -14.347 0.808 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.545 -13.778 -1.685 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.380 -12.611 -0.388 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.969 -15.519 0.183 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.311 -12.219 0.025 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.804 -12.653 0.866 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.940 -16.032 1.246 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.154 -14.784 1.547 1.00 0.00 H new ATOM 570 N ILE A 36 -5.762 -14.282 1.414 1.00 0.00 N ATOM 571 CA ILE A 36 -6.016 -14.449 2.848 1.00 0.00 C ATOM 572 C ILE A 36 -7.280 -15.270 3.084 1.00 0.00 C ATOM 573 O ILE A 36 -7.268 -16.251 3.827 1.00 0.00 O ATOM 574 CB ILE A 36 -6.152 -13.088 3.570 1.00 0.00 C ATOM 575 CG1 ILE A 36 -4.826 -12.327 3.539 1.00 0.00 C ATOM 576 CG2 ILE A 36 -6.612 -13.287 5.009 1.00 0.00 C ATOM 577 CD1 ILE A 36 -4.966 -10.852 3.841 1.00 0.00 C ATOM 0 H ILE A 36 -5.798 -13.316 1.089 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.156 -14.976 3.261 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.903 -12.498 3.044 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.143 -12.774 4.262 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.371 -12.446 2.556 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.702 -12.318 5.500 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.580 -13.788 5.016 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.884 -13.898 5.543 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.985 -10.378 3.801 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.623 -10.390 3.104 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.391 -10.723 4.836 1.00 0.00 H new ATOM 589 N ILE A 37 -8.364 -14.860 2.435 1.00 0.00 N ATOM 590 CA ILE A 37 -9.648 -15.551 2.560 1.00 0.00 C ATOM 591 C ILE A 37 -9.619 -16.911 1.855 1.00 0.00 C ATOM 592 O ILE A 37 -10.297 -17.851 2.277 1.00 0.00 O ATOM 593 CB ILE A 37 -10.806 -14.699 1.990 1.00 0.00 C ATOM 594 CG1 ILE A 37 -10.910 -13.372 2.746 1.00 0.00 C ATOM 595 CG2 ILE A 37 -12.124 -15.455 2.074 1.00 0.00 C ATOM 596 CD1 ILE A 37 -11.637 -12.293 1.973 1.00 0.00 C ATOM 0 H ILE A 37 -8.382 -14.051 1.815 1.00 0.00 H new ATOM 0 HA ILE A 37 -9.820 -15.709 3.625 1.00 0.00 H new ATOM 0 HB ILE A 37 -10.594 -14.492 0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -11.426 -13.541 3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.907 -13.021 2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -12.925 -14.837 1.668 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -12.051 -16.378 1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.342 -15.692 3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.673 -11.381 2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.110 -12.096 1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.652 -12.624 1.754 1.00 0.00 H new ATOM 608 N PHE A 38 -8.828 -17.012 0.782 1.00 0.00 N ATOM 609 CA PHE A 38 -8.706 -18.258 0.019 1.00 0.00 C ATOM 610 C PHE A 38 -8.403 -19.459 0.924 1.00 0.00 C ATOM 611 O PHE A 38 -8.821 -20.580 0.632 1.00 0.00 O ATOM 612 CB PHE A 38 -7.613 -18.119 -1.048 1.00 0.00 C ATOM 613 CG PHE A 38 -8.075 -18.464 -2.436 1.00 0.00 C ATOM 614 CD1 PHE A 38 -8.619 -17.492 -3.263 1.00 0.00 C ATOM 615 CD2 PHE A 38 -7.966 -19.758 -2.916 1.00 0.00 C ATOM 616 CE1 PHE A 38 -9.043 -17.805 -4.540 1.00 0.00 C ATOM 617 CE2 PHE A 38 -8.388 -20.078 -4.192 1.00 0.00 C ATOM 618 CZ PHE A 38 -8.928 -19.101 -5.006 1.00 0.00 C ATOM 0 H PHE A 38 -8.262 -16.244 0.422 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.667 -18.441 -0.463 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -7.241 -17.094 -1.043 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.775 -18.764 -0.783 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.712 -16.478 -2.904 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.546 -20.527 -2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -9.464 -17.038 -5.173 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.296 -21.092 -4.553 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.259 -19.349 -6.004 1.00 0.00 H new