USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 569 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 60 GLN : amide:sc= -1.71 K(o=-4.5,f=-3.9) USER MOD Set 1.2: A 67 GLN : amide:sc= -2.76 K(o=-4.5,f=-8!) USER MOD Set 2.1: A 6 MET CE :methyl 177:sc= -2.97 (180deg=-3) USER MOD Set 2.2: A 17 LYS NZ :NH3+ 148:sc= -0.202 (180deg=-0.98) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0328 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.04 X(o=-0.04,f=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 43:sc= 0.56 USER MOD Single : A 25 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0636) USER MOD Single : A 28 HIS : no HD1:sc= -0.254 X(o=-0.25,f=-0.32) USER MOD Single : A 30 SER OG : rot 150:sc= -0.0118 USER MOD Single : A 31 HIS : no HD1:sc= -0.333 K(o=-0.33,f=-0.88) USER MOD Single : A 32 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00435) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot -65:sc= 0.792 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.841 X(o=-0.84,f=-1.1) USER MOD Single : A 62 ASN : amide:sc= -0.154 K(o=-0.15,f=-3.5!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -66:sc= 0.654 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 0.777 -1.706 -3.208 1.00 0.00 N ATOM 19 CA ASP A 2 0.409 -2.950 -3.874 1.00 0.00 C ATOM 20 C ASP A 2 0.986 -3.002 -5.285 1.00 0.00 C ATOM 21 O ASP A 2 0.256 -3.188 -6.259 1.00 0.00 O ATOM 22 CB ASP A 2 -1.113 -3.095 -3.926 1.00 0.00 C ATOM 23 CG ASP A 2 -1.702 -3.498 -2.589 1.00 0.00 C ATOM 24 OD1 ASP A 2 -1.578 -4.684 -2.219 1.00 0.00 O ATOM 25 OD2 ASP A 2 -2.288 -2.627 -1.912 1.00 0.00 O ATOM 0 HA ASP A 2 0.825 -3.778 -3.300 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.554 -2.151 -4.244 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.379 -3.840 -4.676 1.00 0.00 H new ATOM 30 N ARG A 3 2.301 -2.835 -5.388 1.00 0.00 N ATOM 31 CA ARG A 3 2.975 -2.860 -6.680 1.00 0.00 C ATOM 32 C ARG A 3 2.873 -4.242 -7.320 1.00 0.00 C ATOM 33 O ARG A 3 2.705 -5.246 -6.627 1.00 0.00 O ATOM 34 CB ARG A 3 4.445 -2.468 -6.520 1.00 0.00 C ATOM 35 CG ARG A 3 5.227 -3.396 -5.605 1.00 0.00 C ATOM 36 CD ARG A 3 6.457 -2.708 -5.033 1.00 0.00 C ATOM 37 NE ARG A 3 7.422 -3.666 -4.501 1.00 0.00 N ATOM 38 CZ ARG A 3 7.291 -4.263 -3.321 1.00 0.00 C ATOM 39 NH1 ARG A 3 6.240 -4.001 -2.555 1.00 0.00 N ATOM 40 NH2 ARG A 3 8.211 -5.123 -2.905 1.00 0.00 N ATOM 0 H ARG A 3 2.920 -2.681 -4.592 1.00 0.00 H new ATOM 0 HA ARG A 3 2.482 -2.139 -7.332 1.00 0.00 H new ATOM 0 HB2 ARG A 3 4.918 -2.456 -7.502 1.00 0.00 H new ATOM 0 HB3 ARG A 3 4.501 -1.453 -6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 3 4.585 -3.732 -4.791 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.530 -4.284 -6.159 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.932 -2.109 -5.810 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.154 -2.022 -4.242 1.00 0.00 H new ATOM 0 HE ARG A 3 8.241 -3.889 -5.066 1.00 0.00 H new ATOM 0 HH11 ARG A 3 5.530 -3.340 -2.871 1.00 0.00 H new ATOM 0 HH12 ARG A 3 6.142 -4.460 -1.650 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.021 -5.327 -3.491 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.109 -5.580 -1.999 1.00 0.00 H new ATOM 54 N ILE A 4 2.976 -4.285 -8.644 1.00 0.00 N ATOM 55 CA ILE A 4 2.896 -5.543 -9.376 1.00 0.00 C ATOM 56 C ILE A 4 3.878 -5.563 -10.543 1.00 0.00 C ATOM 57 O ILE A 4 3.685 -4.871 -11.542 1.00 0.00 O ATOM 58 CB ILE A 4 1.474 -5.793 -9.912 1.00 0.00 C ATOM 59 CG1 ILE A 4 0.468 -5.817 -8.760 1.00 0.00 C ATOM 60 CG2 ILE A 4 1.425 -7.097 -10.693 1.00 0.00 C ATOM 61 CD1 ILE A 4 -0.972 -5.884 -9.216 1.00 0.00 C ATOM 0 H ILE A 4 3.115 -3.463 -9.232 1.00 0.00 H new ATOM 0 HA ILE A 4 3.155 -6.335 -8.673 1.00 0.00 H new ATOM 0 HB ILE A 4 1.207 -4.979 -10.585 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.679 -6.675 -8.122 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.606 -4.925 -8.149 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.414 -7.260 -11.066 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.117 -7.044 -11.533 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.709 -7.923 -10.041 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.629 -5.898 -8.346 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.200 -5.012 -9.829 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.126 -6.790 -9.802 1.00 0.00 H new ATOM 73 N PHE A 5 4.931 -6.363 -10.409 1.00 0.00 N ATOM 74 CA PHE A 5 5.943 -6.475 -11.452 1.00 0.00 C ATOM 75 C PHE A 5 5.567 -7.555 -12.462 1.00 0.00 C ATOM 76 O PHE A 5 5.421 -8.725 -12.109 1.00 0.00 O ATOM 77 CB PHE A 5 7.308 -6.790 -10.836 1.00 0.00 C ATOM 78 CG PHE A 5 7.899 -5.643 -10.068 1.00 0.00 C ATOM 79 CD1 PHE A 5 8.122 -4.422 -10.683 1.00 0.00 C ATOM 80 CD2 PHE A 5 8.229 -5.785 -8.730 1.00 0.00 C ATOM 81 CE1 PHE A 5 8.666 -3.364 -9.979 1.00 0.00 C ATOM 82 CE2 PHE A 5 8.773 -4.731 -8.020 1.00 0.00 C ATOM 83 CZ PHE A 5 8.991 -3.519 -8.645 1.00 0.00 C ATOM 0 H PHE A 5 5.105 -6.943 -9.588 1.00 0.00 H new ATOM 0 HA PHE A 5 5.999 -5.519 -11.973 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.208 -7.648 -10.172 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.997 -7.079 -11.629 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.868 -4.295 -11.725 1.00 0.00 H new ATOM 0 HD2 PHE A 5 8.059 -6.730 -8.236 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.837 -2.418 -10.471 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.027 -4.855 -6.978 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.415 -2.694 -8.092 1.00 0.00 H new ATOM 93 N MET A 6 5.410 -7.153 -13.719 1.00 0.00 N ATOM 94 CA MET A 6 5.051 -8.087 -14.780 1.00 0.00 C ATOM 95 C MET A 6 5.991 -7.942 -15.973 1.00 0.00 C ATOM 96 O MET A 6 6.445 -6.841 -16.289 1.00 0.00 O ATOM 97 CB MET A 6 3.605 -7.856 -15.224 1.00 0.00 C ATOM 98 CG MET A 6 2.595 -8.705 -14.470 1.00 0.00 C ATOM 99 SD MET A 6 1.013 -7.869 -14.247 1.00 0.00 S ATOM 100 CE MET A 6 0.195 -8.988 -13.113 1.00 0.00 C ATOM 0 H MET A 6 5.526 -6.188 -14.028 1.00 0.00 H new ATOM 0 HA MET A 6 5.145 -9.099 -14.387 1.00 0.00 H new ATOM 0 HB2 MET A 6 3.356 -6.804 -15.089 1.00 0.00 H new ATOM 0 HB3 MET A 6 3.522 -8.069 -16.290 1.00 0.00 H new ATOM 0 HG2 MET A 6 2.435 -9.638 -15.010 1.00 0.00 H new ATOM 0 HG3 MET A 6 3.003 -8.968 -13.494 1.00 0.00 H new ATOM 0 HE1 MET A 6 -0.777 -8.580 -12.837 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.059 -9.957 -13.593 1.00 0.00 H new ATOM 0 HE3 MET A 6 0.805 -9.109 -12.218 1.00 0.00 H new ATOM 110 N THR A 7 6.280 -9.059 -16.632 1.00 0.00 N ATOM 111 CA THR A 7 7.167 -9.056 -17.789 1.00 0.00 C ATOM 112 C THR A 7 6.427 -8.620 -19.048 1.00 0.00 C ATOM 113 O THR A 7 5.239 -8.299 -19.002 1.00 0.00 O ATOM 114 CB THR A 7 7.785 -10.447 -18.026 1.00 0.00 C ATOM 115 OG1 THR A 7 6.761 -11.383 -18.383 1.00 0.00 O ATOM 116 CG2 THR A 7 8.514 -10.935 -16.783 1.00 0.00 C ATOM 0 H THR A 7 5.913 -9.978 -16.384 1.00 0.00 H new ATOM 0 HA THR A 7 7.964 -8.344 -17.575 1.00 0.00 H new ATOM 0 HB THR A 7 8.504 -10.367 -18.841 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.162 -12.265 -18.534 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.942 -11.919 -16.975 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.311 -10.236 -16.531 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.812 -11.000 -15.952 1.00 0.00 H new ATOM 124 N ARG A 8 7.136 -8.611 -20.172 1.00 0.00 N ATOM 125 CA ARG A 8 6.546 -8.213 -21.444 1.00 0.00 C ATOM 126 C ARG A 8 5.273 -9.006 -21.725 1.00 0.00 C ATOM 127 O ARG A 8 4.283 -8.461 -22.214 1.00 0.00 O ATOM 128 CB ARG A 8 7.548 -8.417 -22.582 1.00 0.00 C ATOM 129 CG ARG A 8 8.145 -9.814 -22.624 1.00 0.00 C ATOM 130 CD ARG A 8 9.273 -9.907 -23.640 1.00 0.00 C ATOM 131 NE ARG A 8 8.771 -10.064 -25.002 1.00 0.00 N ATOM 132 CZ ARG A 8 9.491 -9.797 -26.086 1.00 0.00 C ATOM 133 NH1 ARG A 8 10.738 -9.362 -25.967 1.00 0.00 N ATOM 134 NH2 ARG A 8 8.964 -9.966 -27.292 1.00 0.00 N ATOM 0 H ARG A 8 8.120 -8.875 -20.227 1.00 0.00 H new ATOM 0 HA ARG A 8 6.289 -7.156 -21.381 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.053 -8.214 -23.532 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.353 -7.690 -22.480 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.521 -10.080 -21.636 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.368 -10.536 -22.875 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.888 -9.009 -23.582 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.916 -10.751 -23.391 1.00 0.00 H new ATOM 0 HE ARG A 8 7.815 -10.397 -25.128 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.147 -9.232 -25.042 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.289 -9.158 -26.801 1.00 0.00 H new ATOM 0 HH21 ARG A 8 8.005 -10.301 -27.387 1.00 0.00 H new ATOM 0 HH22 ARG A 8 9.518 -9.761 -28.124 1.00 0.00 H new ATOM 148 N THR A 9 5.306 -10.298 -21.412 1.00 0.00 N ATOM 149 CA THR A 9 4.156 -11.167 -21.632 1.00 0.00 C ATOM 150 C THR A 9 3.170 -11.077 -20.473 1.00 0.00 C ATOM 151 O THR A 9 1.961 -10.978 -20.682 1.00 0.00 O ATOM 152 CB THR A 9 4.588 -12.634 -21.811 1.00 0.00 C ATOM 153 OG1 THR A 9 5.651 -12.719 -22.766 1.00 0.00 O ATOM 154 CG2 THR A 9 3.417 -13.491 -22.270 1.00 0.00 C ATOM 0 H THR A 9 6.116 -10.765 -21.006 1.00 0.00 H new ATOM 0 HA THR A 9 3.670 -10.825 -22.546 1.00 0.00 H new ATOM 0 HB THR A 9 4.935 -13.007 -20.848 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.921 -13.655 -22.873 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.746 -14.523 -22.390 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.621 -13.448 -21.526 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.044 -13.117 -23.223 1.00 0.00 H new ATOM 162 N GLU A 10 3.693 -11.111 -19.252 1.00 0.00 N ATOM 163 CA GLU A 10 2.856 -11.034 -18.060 1.00 0.00 C ATOM 164 C GLU A 10 2.069 -9.727 -18.032 1.00 0.00 C ATOM 165 O GLU A 10 1.060 -9.613 -17.338 1.00 0.00 O ATOM 166 CB GLU A 10 3.714 -11.152 -16.799 1.00 0.00 C ATOM 167 CG GLU A 10 3.098 -12.032 -15.724 1.00 0.00 C ATOM 168 CD GLU A 10 3.206 -13.510 -16.047 1.00 0.00 C ATOM 169 OE1 GLU A 10 3.856 -13.849 -17.058 1.00 0.00 O ATOM 170 OE2 GLU A 10 2.641 -14.326 -15.290 1.00 0.00 O ATOM 0 H GLU A 10 4.692 -11.191 -19.062 1.00 0.00 H new ATOM 0 HA GLU A 10 2.149 -11.863 -18.089 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.690 -11.554 -17.070 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.882 -10.156 -16.389 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.591 -11.835 -14.772 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.048 -11.767 -15.600 1.00 0.00 H new ATOM 177 N ALA A 11 2.540 -8.743 -18.792 1.00 0.00 N ATOM 178 CA ALA A 11 1.881 -7.445 -18.856 1.00 0.00 C ATOM 179 C ALA A 11 0.393 -7.599 -19.152 1.00 0.00 C ATOM 180 O ALA A 11 -0.422 -6.772 -18.740 1.00 0.00 O ATOM 181 CB ALA A 11 2.543 -6.568 -19.909 1.00 0.00 C ATOM 0 H ALA A 11 3.376 -8.821 -19.372 1.00 0.00 H new ATOM 0 HA ALA A 11 1.983 -6.965 -17.883 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.040 -5.601 -19.946 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.592 -6.422 -19.653 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.471 -7.052 -20.883 1.00 0.00 H new ATOM 187 N LEU A 12 0.044 -8.661 -19.870 1.00 0.00 N ATOM 188 CA LEU A 12 -1.347 -8.923 -20.223 1.00 0.00 C ATOM 189 C LEU A 12 -2.241 -8.872 -18.988 1.00 0.00 C ATOM 190 O LEU A 12 -3.303 -8.252 -19.005 1.00 0.00 O ATOM 191 CB LEU A 12 -1.473 -10.288 -20.902 1.00 0.00 C ATOM 192 CG LEU A 12 -0.576 -10.518 -22.119 1.00 0.00 C ATOM 193 CD1 LEU A 12 -0.241 -11.994 -22.264 1.00 0.00 C ATOM 194 CD2 LEU A 12 -1.246 -9.994 -23.381 1.00 0.00 C ATOM 0 H LEU A 12 0.705 -9.355 -20.219 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.672 -8.148 -20.917 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.255 -11.060 -20.164 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.510 -10.424 -21.209 1.00 0.00 H new ATOM 0 HG LEU A 12 0.354 -9.969 -21.971 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.398 -12.138 -23.135 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.280 -12.338 -21.371 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.161 -12.565 -22.390 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.594 -10.166 -24.237 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.191 -10.515 -23.534 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.434 -8.925 -23.276 1.00 0.00 H new ATOM 206 N GLU A 13 -1.801 -9.527 -17.918 1.00 0.00 N ATOM 207 CA GLU A 13 -2.561 -9.555 -16.674 1.00 0.00 C ATOM 208 C GLU A 13 -2.933 -8.142 -16.232 1.00 0.00 C ATOM 209 O GLU A 13 -4.054 -7.894 -15.787 1.00 0.00 O ATOM 210 CB GLU A 13 -1.756 -10.250 -15.574 1.00 0.00 C ATOM 211 CG GLU A 13 -2.506 -10.375 -14.258 1.00 0.00 C ATOM 212 CD GLU A 13 -3.865 -11.028 -14.421 1.00 0.00 C ATOM 213 OE1 GLU A 13 -3.911 -12.214 -14.809 1.00 0.00 O ATOM 214 OE2 GLU A 13 -4.882 -10.352 -14.160 1.00 0.00 O ATOM 0 H GLU A 13 -0.923 -10.045 -17.888 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.479 -10.115 -16.851 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.472 -11.245 -15.917 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.833 -9.695 -15.405 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.908 -10.958 -13.557 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.633 -9.385 -13.821 1.00 0.00 H new ATOM 221 N PHE A 14 -1.985 -7.220 -16.358 1.00 0.00 N ATOM 222 CA PHE A 14 -2.211 -5.833 -15.971 1.00 0.00 C ATOM 223 C PHE A 14 -3.190 -5.154 -16.925 1.00 0.00 C ATOM 224 O PHE A 14 -4.134 -4.490 -16.495 1.00 0.00 O ATOM 225 CB PHE A 14 -0.888 -5.065 -15.949 1.00 0.00 C ATOM 226 CG PHE A 14 -1.056 -3.585 -15.755 1.00 0.00 C ATOM 227 CD1 PHE A 14 -1.921 -3.094 -14.790 1.00 0.00 C ATOM 228 CD2 PHE A 14 -0.351 -2.685 -16.538 1.00 0.00 C ATOM 229 CE1 PHE A 14 -2.078 -1.732 -14.610 1.00 0.00 C ATOM 230 CE2 PHE A 14 -0.504 -1.323 -16.362 1.00 0.00 C ATOM 231 CZ PHE A 14 -1.368 -0.846 -15.396 1.00 0.00 C ATOM 0 H PHE A 14 -1.052 -7.409 -16.725 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.643 -5.828 -14.970 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.262 -5.459 -15.149 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.359 -5.243 -16.885 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.478 -3.782 -14.172 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.326 -3.052 -17.295 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.756 -1.361 -13.855 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.051 -0.632 -16.979 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.488 0.218 -15.256 1.00 0.00 H new ATOM 241 N LEU A 15 -2.958 -5.326 -18.221 1.00 0.00 N ATOM 242 CA LEU A 15 -3.819 -4.731 -19.238 1.00 0.00 C ATOM 243 C LEU A 15 -5.282 -5.078 -18.984 1.00 0.00 C ATOM 244 O LEU A 15 -6.161 -4.220 -19.079 1.00 0.00 O ATOM 245 CB LEU A 15 -3.403 -5.210 -20.630 1.00 0.00 C ATOM 246 CG LEU A 15 -2.265 -4.434 -21.295 1.00 0.00 C ATOM 247 CD1 LEU A 15 -1.843 -5.111 -22.590 1.00 0.00 C ATOM 248 CD2 LEU A 15 -2.682 -2.994 -21.554 1.00 0.00 C ATOM 0 H LEU A 15 -2.181 -5.872 -18.593 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.708 -3.648 -19.185 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.109 -6.257 -20.559 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.275 -5.167 -21.283 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.411 -4.427 -20.618 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.033 -4.545 -23.049 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.503 -6.124 -22.377 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.691 -5.150 -23.274 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.860 -2.457 -22.027 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.551 -2.980 -22.211 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.934 -2.512 -20.609 1.00 0.00 H new ATOM 260 N LEU A 16 -5.537 -6.340 -18.659 1.00 0.00 N ATOM 261 CA LEU A 16 -6.895 -6.801 -18.388 1.00 0.00 C ATOM 262 C LEU A 16 -7.308 -6.467 -16.958 1.00 0.00 C ATOM 263 O LEU A 16 -8.492 -6.292 -16.668 1.00 0.00 O ATOM 264 CB LEU A 16 -6.998 -8.310 -18.621 1.00 0.00 C ATOM 265 CG LEU A 16 -8.306 -8.806 -19.237 1.00 0.00 C ATOM 266 CD1 LEU A 16 -9.477 -8.514 -18.311 1.00 0.00 C ATOM 267 CD2 LEU A 16 -8.530 -8.166 -20.600 1.00 0.00 C ATOM 0 H LEU A 16 -4.822 -7.063 -18.577 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.570 -6.287 -19.072 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.176 -8.614 -19.269 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.855 -8.815 -17.666 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.235 -9.885 -19.371 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.400 -8.874 -18.766 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.322 -9.019 -17.358 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.550 -7.439 -18.145 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.466 -8.531 -21.024 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.579 -7.083 -20.490 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.705 -8.426 -21.264 1.00 0.00 H new ATOM 279 N LYS A 17 -6.325 -6.376 -16.069 1.00 0.00 N ATOM 280 CA LYS A 17 -6.586 -6.058 -14.670 1.00 0.00 C ATOM 281 C LYS A 17 -7.257 -4.695 -14.537 1.00 0.00 C ATOM 282 O LYS A 17 -8.290 -4.562 -13.882 1.00 0.00 O ATOM 283 CB LYS A 17 -5.281 -6.076 -13.871 1.00 0.00 C ATOM 284 CG LYS A 17 -5.427 -5.542 -12.456 1.00 0.00 C ATOM 285 CD LYS A 17 -4.106 -5.581 -11.706 1.00 0.00 C ATOM 286 CE LYS A 17 -3.935 -6.886 -10.944 1.00 0.00 C ATOM 287 NZ LYS A 17 -3.353 -7.956 -11.800 1.00 0.00 N ATOM 0 H LYS A 17 -5.340 -6.518 -16.292 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.261 -6.815 -14.271 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.905 -7.098 -13.828 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.533 -5.484 -14.399 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.797 -4.517 -12.489 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.169 -6.132 -11.918 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.283 -5.459 -12.410 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.057 -4.743 -11.010 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.290 -6.721 -10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.902 -7.213 -10.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.769 -8.589 -11.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.120 -8.502 -12.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.763 -7.526 -12.540 1.00 0.00 H new ATOM 301 N ALA A 18 -6.663 -3.685 -15.165 1.00 0.00 N ATOM 302 CA ALA A 18 -7.206 -2.333 -15.120 1.00 0.00 C ATOM 303 C ALA A 18 -8.679 -2.319 -15.515 1.00 0.00 C ATOM 304 O ALA A 18 -9.491 -1.626 -14.900 1.00 0.00 O ATOM 305 CB ALA A 18 -6.405 -1.411 -16.028 1.00 0.00 C ATOM 0 H ALA A 18 -5.806 -3.778 -15.711 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.129 -1.972 -14.095 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.822 -0.405 -15.984 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.366 -1.388 -15.698 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.452 -1.779 -17.053 1.00 0.00 H new ATOM 311 N HIS A 19 -9.017 -3.087 -16.546 1.00 0.00 N ATOM 312 CA HIS A 19 -10.394 -3.163 -17.023 1.00 0.00 C ATOM 313 C HIS A 19 -11.276 -3.902 -16.022 1.00 0.00 C ATOM 314 O HIS A 19 -12.431 -3.532 -15.809 1.00 0.00 O ATOM 315 CB HIS A 19 -10.447 -3.863 -18.381 1.00 0.00 C ATOM 316 CG HIS A 19 -11.714 -3.607 -19.138 1.00 0.00 C ATOM 317 ND1 HIS A 19 -12.366 -4.582 -19.863 1.00 0.00 N ATOM 318 CD2 HIS A 19 -12.450 -2.480 -19.277 1.00 0.00 C ATOM 319 CE1 HIS A 19 -13.448 -4.064 -20.418 1.00 0.00 C ATOM 320 NE2 HIS A 19 -13.522 -2.790 -20.077 1.00 0.00 N ATOM 0 H HIS A 19 -8.357 -3.665 -17.067 1.00 0.00 H new ATOM 0 HA HIS A 19 -10.772 -2.146 -17.131 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -9.601 -3.534 -18.984 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -10.333 -4.937 -18.232 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -12.234 -1.516 -18.840 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -14.152 -4.592 -21.044 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -14.256 -2.142 -20.362 1.00 0.00 H new ATOM 328 N GLN A 20 -10.725 -4.946 -15.412 1.00 0.00 N ATOM 329 CA GLN A 20 -11.464 -5.737 -14.435 1.00 0.00 C ATOM 330 C GLN A 20 -11.937 -4.866 -13.276 1.00 0.00 C ATOM 331 O GLN A 20 -13.038 -5.050 -12.756 1.00 0.00 O ATOM 332 CB GLN A 20 -10.592 -6.879 -13.908 1.00 0.00 C ATOM 333 CG GLN A 20 -11.340 -7.850 -13.009 1.00 0.00 C ATOM 334 CD GLN A 20 -12.057 -8.933 -13.790 1.00 0.00 C ATOM 335 OE1 GLN A 20 -13.276 -8.887 -13.963 1.00 0.00 O ATOM 336 NE2 GLN A 20 -11.304 -9.917 -14.267 1.00 0.00 N ATOM 0 H GLN A 20 -9.770 -5.264 -15.577 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.339 -6.157 -14.931 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.175 -7.427 -14.753 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.752 -6.458 -13.355 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.637 -8.312 -12.315 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -12.065 -7.299 -12.409 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.298 -9.916 -14.100 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.732 -10.674 -14.800 1.00 0.00 H new ATOM 345 N THR A 21 -11.098 -3.917 -12.874 1.00 0.00 N ATOM 346 CA THR A 21 -11.429 -3.019 -11.775 1.00 0.00 C ATOM 347 C THR A 21 -12.299 -1.862 -12.254 1.00 0.00 C ATOM 348 O THR A 21 -13.203 -1.418 -11.546 1.00 0.00 O ATOM 349 CB THR A 21 -10.161 -2.451 -11.111 1.00 0.00 C ATOM 350 OG1 THR A 21 -9.120 -2.309 -12.084 1.00 0.00 O ATOM 351 CG2 THR A 21 -9.688 -3.358 -9.984 1.00 0.00 C ATOM 0 H THR A 21 -10.183 -3.750 -13.294 1.00 0.00 H new ATOM 0 HA THR A 21 -11.981 -3.607 -11.042 1.00 0.00 H new ATOM 0 HB THR A 21 -10.403 -1.474 -10.693 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.494 -1.940 -12.911 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.791 -2.937 -9.530 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.471 -3.441 -9.231 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.462 -4.347 -10.383 1.00 0.00 H new ATOM 359 N ALA A 22 -12.021 -1.379 -13.460 1.00 0.00 N ATOM 360 CA ALA A 22 -12.781 -0.275 -14.035 1.00 0.00 C ATOM 361 C ALA A 22 -14.250 -0.648 -14.202 1.00 0.00 C ATOM 362 O ALA A 22 -15.141 0.116 -13.832 1.00 0.00 O ATOM 363 CB ALA A 22 -12.183 0.138 -15.372 1.00 0.00 C ATOM 0 H ALA A 22 -11.275 -1.734 -14.058 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.724 0.569 -13.348 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.760 0.963 -15.790 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.150 0.455 -15.226 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.209 -0.708 -16.059 1.00 0.00 H new ATOM 369 N VAL A 23 -14.496 -1.828 -14.763 1.00 0.00 N ATOM 370 CA VAL A 23 -15.857 -2.302 -14.980 1.00 0.00 C ATOM 371 C VAL A 23 -16.616 -2.416 -13.662 1.00 0.00 C ATOM 372 O VAL A 23 -17.830 -2.222 -13.615 1.00 0.00 O ATOM 373 CB VAL A 23 -15.869 -3.671 -15.686 1.00 0.00 C ATOM 374 CG1 VAL A 23 -17.297 -4.130 -15.937 1.00 0.00 C ATOM 375 CG2 VAL A 23 -15.084 -3.605 -16.988 1.00 0.00 C ATOM 0 H VAL A 23 -13.770 -2.473 -15.075 1.00 0.00 H new ATOM 0 HA VAL A 23 -16.350 -1.568 -15.618 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.388 -4.401 -15.035 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -17.285 -5.099 -16.436 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -17.823 -4.218 -14.987 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -17.807 -3.403 -16.568 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -15.103 -4.581 -17.474 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -15.534 -2.863 -17.647 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.052 -3.324 -16.777 1.00 0.00 H new ATOM 385 N ASP A 24 -15.891 -2.731 -12.595 1.00 0.00 N ATOM 386 CA ASP A 24 -16.495 -2.869 -11.274 1.00 0.00 C ATOM 387 C ASP A 24 -16.644 -1.509 -10.600 1.00 0.00 C ATOM 388 O ASP A 24 -17.529 -1.310 -9.768 1.00 0.00 O ATOM 389 CB ASP A 24 -15.651 -3.796 -10.398 1.00 0.00 C ATOM 390 CG ASP A 24 -15.988 -3.666 -8.926 1.00 0.00 C ATOM 391 OD1 ASP A 24 -17.094 -4.089 -8.530 1.00 0.00 O ATOM 392 OD2 ASP A 24 -15.144 -3.141 -8.169 1.00 0.00 O ATOM 0 H ASP A 24 -14.885 -2.896 -12.618 1.00 0.00 H new ATOM 0 HA ASP A 24 -17.487 -3.303 -11.399 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.804 -4.828 -10.713 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.595 -3.571 -10.547 1.00 0.00 H new ATOM 397 N LYS A 25 -15.773 -0.575 -10.965 1.00 0.00 N ATOM 398 CA LYS A 25 -15.806 0.768 -10.396 1.00 0.00 C ATOM 399 C LYS A 25 -17.176 1.409 -10.596 1.00 0.00 C ATOM 400 O LYS A 25 -17.629 2.198 -9.767 1.00 0.00 O ATOM 401 CB LYS A 25 -14.724 1.642 -11.035 1.00 0.00 C ATOM 402 CG LYS A 25 -14.685 3.058 -10.487 1.00 0.00 C ATOM 403 CD LYS A 25 -13.588 3.879 -11.144 1.00 0.00 C ATOM 404 CE LYS A 25 -13.808 5.370 -10.937 1.00 0.00 C ATOM 405 NZ LYS A 25 -13.911 5.719 -9.493 1.00 0.00 N ATOM 0 H LYS A 25 -15.035 -0.723 -11.653 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.614 0.688 -9.326 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.752 1.174 -10.880 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.890 1.682 -12.112 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -15.649 3.539 -10.651 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.523 3.028 -9.410 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.621 3.592 -10.731 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.557 3.659 -12.211 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.985 5.925 -11.387 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.719 5.678 -11.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.907 6.753 -9.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.795 5.333 -9.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.102 5.314 -8.979 1.00 0.00 H new ATOM 419 N ILE A 26 -17.830 1.064 -11.700 1.00 0.00 N ATOM 420 CA ILE A 26 -19.149 1.604 -12.006 1.00 0.00 C ATOM 421 C ILE A 26 -20.240 0.855 -11.248 1.00 0.00 C ATOM 422 O ILE A 26 -21.324 1.387 -11.013 1.00 0.00 O ATOM 423 CB ILE A 26 -19.449 1.536 -13.515 1.00 0.00 C ATOM 424 CG1 ILE A 26 -18.380 2.295 -14.304 1.00 0.00 C ATOM 425 CG2 ILE A 26 -20.831 2.100 -13.806 1.00 0.00 C ATOM 426 CD1 ILE A 26 -18.455 2.066 -15.797 1.00 0.00 C ATOM 0 H ILE A 26 -17.468 0.413 -12.397 1.00 0.00 H new ATOM 0 HA ILE A 26 -19.143 2.648 -11.692 1.00 0.00 H new ATOM 0 HB ILE A 26 -19.431 0.492 -13.828 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -18.480 3.362 -14.103 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -17.395 1.994 -13.947 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -21.028 2.045 -14.877 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -21.581 1.520 -13.268 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -20.875 3.140 -13.482 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -17.668 2.635 -16.292 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -18.325 1.005 -16.009 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -19.427 2.393 -16.167 1.00 0.00 H new ATOM 438 N GLY A 27 -19.944 -0.384 -10.866 1.00 0.00 N ATOM 439 CA GLY A 27 -20.909 -1.186 -10.137 1.00 0.00 C ATOM 440 C GLY A 27 -22.103 -1.571 -10.987 1.00 0.00 C ATOM 441 O GLY A 27 -23.176 -1.871 -10.463 1.00 0.00 O ATOM 0 H GLY A 27 -19.053 -0.846 -11.048 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.422 -2.089 -9.769 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.252 -0.631 -9.264 1.00 0.00 H new ATOM 445 N HIS A 28 -21.919 -1.561 -12.303 1.00 0.00 N ATOM 446 CA HIS A 28 -22.991 -1.911 -13.228 1.00 0.00 C ATOM 447 C HIS A 28 -22.561 -3.045 -14.154 1.00 0.00 C ATOM 448 O HIS A 28 -21.374 -3.276 -14.382 1.00 0.00 O ATOM 449 CB HIS A 28 -23.399 -0.690 -14.053 1.00 0.00 C ATOM 450 CG HIS A 28 -24.292 0.260 -13.316 1.00 0.00 C ATOM 451 ND1 HIS A 28 -25.307 -0.156 -12.479 1.00 0.00 N ATOM 452 CD2 HIS A 28 -24.318 1.613 -13.291 1.00 0.00 C ATOM 453 CE1 HIS A 28 -25.918 0.900 -11.974 1.00 0.00 C ATOM 454 NE2 HIS A 28 -25.337 1.986 -12.450 1.00 0.00 N ATOM 0 H HIS A 28 -21.038 -1.314 -12.753 1.00 0.00 H new ATOM 0 HA HIS A 28 -23.847 -2.248 -12.643 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -22.501 -0.160 -14.370 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -23.907 -1.026 -14.957 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -23.659 2.276 -13.832 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -26.752 0.879 -11.288 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -25.602 2.946 -12.229 1.00 0.00 H new ATOM 462 N PRO A 29 -23.549 -3.770 -14.699 1.00 0.00 N ATOM 463 CA PRO A 29 -23.298 -4.892 -15.609 1.00 0.00 C ATOM 464 C PRO A 29 -22.756 -4.434 -16.958 1.00 0.00 C ATOM 465 O PRO A 29 -23.122 -3.370 -17.456 1.00 0.00 O ATOM 466 CB PRO A 29 -24.679 -5.530 -15.776 1.00 0.00 C ATOM 467 CG PRO A 29 -25.641 -4.425 -15.504 1.00 0.00 C ATOM 468 CD PRO A 29 -24.987 -3.550 -14.471 1.00 0.00 C ATOM 0 HA PRO A 29 -22.544 -5.574 -15.216 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -24.811 -5.932 -16.781 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -24.820 -6.358 -15.081 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -25.856 -3.862 -16.412 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -26.591 -4.816 -15.139 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -25.259 -2.503 -14.601 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -25.282 -3.833 -13.460 1.00 0.00 H new ATOM 476 N SER A 30 -21.881 -5.245 -17.546 1.00 0.00 N ATOM 477 CA SER A 30 -21.286 -4.921 -18.837 1.00 0.00 C ATOM 478 C SER A 30 -21.511 -6.051 -19.838 1.00 0.00 C ATOM 479 O SER A 30 -20.779 -6.180 -20.820 1.00 0.00 O ATOM 480 CB SER A 30 -19.788 -4.655 -18.679 1.00 0.00 C ATOM 481 OG SER A 30 -19.141 -5.742 -18.042 1.00 0.00 O ATOM 0 H SER A 30 -21.569 -6.131 -17.148 1.00 0.00 H new ATOM 0 HA SER A 30 -21.770 -4.021 -19.217 1.00 0.00 H new ATOM 0 HB2 SER A 30 -19.341 -4.485 -19.658 1.00 0.00 H new ATOM 0 HB3 SER A 30 -19.636 -3.746 -18.097 1.00 0.00 H new ATOM 0 HG SER A 30 -18.215 -5.803 -18.358 1.00 0.00 H new ATOM 487 N HIS A 31 -22.528 -6.867 -19.581 1.00 0.00 N ATOM 488 CA HIS A 31 -22.851 -7.986 -20.458 1.00 0.00 C ATOM 489 C HIS A 31 -24.277 -7.866 -20.990 1.00 0.00 C ATOM 490 O HIS A 31 -25.241 -8.155 -20.281 1.00 0.00 O ATOM 491 CB HIS A 31 -22.682 -9.311 -19.714 1.00 0.00 C ATOM 492 CG HIS A 31 -23.322 -9.323 -18.360 1.00 0.00 C ATOM 493 ND1 HIS A 31 -22.752 -8.731 -17.253 1.00 0.00 N ATOM 494 CD2 HIS A 31 -24.491 -9.859 -17.939 1.00 0.00 C ATOM 495 CE1 HIS A 31 -23.543 -8.904 -16.208 1.00 0.00 C ATOM 496 NE2 HIS A 31 -24.605 -9.585 -16.598 1.00 0.00 N ATOM 0 H HIS A 31 -23.143 -6.774 -18.772 1.00 0.00 H new ATOM 0 HA HIS A 31 -22.163 -7.963 -21.303 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -23.109 -10.113 -20.316 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -21.619 -9.525 -19.606 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -25.202 -10.401 -18.545 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -23.353 -8.549 -15.206 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -25.384 -9.862 -16.000 1.00 0.00 H new ATOM 504 N LYS A 32 -24.402 -7.437 -22.241 1.00 0.00 N ATOM 505 CA LYS A 32 -25.709 -7.279 -22.869 1.00 0.00 C ATOM 506 C LYS A 32 -25.622 -7.515 -24.373 1.00 0.00 C ATOM 507 O LYS A 32 -24.848 -6.857 -25.069 1.00 0.00 O ATOM 508 CB LYS A 32 -26.264 -5.880 -22.592 1.00 0.00 C ATOM 509 CG LYS A 32 -27.782 -5.828 -22.539 1.00 0.00 C ATOM 510 CD LYS A 32 -28.381 -5.622 -23.920 1.00 0.00 C ATOM 511 CE LYS A 32 -28.544 -4.144 -24.242 1.00 0.00 C ATOM 512 NZ LYS A 32 -29.729 -3.555 -23.560 1.00 0.00 N ATOM 0 H LYS A 32 -23.614 -7.192 -22.841 1.00 0.00 H new ATOM 0 HA LYS A 32 -26.383 -8.022 -22.441 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -25.863 -5.520 -21.645 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -25.912 -5.199 -23.367 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -28.164 -6.754 -22.110 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -28.097 -5.018 -21.880 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -27.742 -6.090 -24.669 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -29.351 -6.117 -23.975 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -27.646 -3.605 -23.939 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -28.645 -4.016 -25.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -29.845 -2.565 -23.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -30.580 -4.095 -23.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -29.591 -3.593 -22.530 1.00 0.00 H new ATOM 526 N GLN A 33 -26.421 -8.455 -24.868 1.00 0.00 N ATOM 527 CA GLN A 33 -26.434 -8.775 -26.290 1.00 0.00 C ATOM 528 C GLN A 33 -26.753 -7.538 -27.124 1.00 0.00 C ATOM 529 O GLN A 33 -27.860 -7.001 -27.059 1.00 0.00 O ATOM 530 CB GLN A 33 -27.455 -9.876 -26.577 1.00 0.00 C ATOM 531 CG GLN A 33 -28.855 -9.552 -26.082 1.00 0.00 C ATOM 532 CD GLN A 33 -29.757 -10.770 -26.042 1.00 0.00 C ATOM 533 OE1 GLN A 33 -30.514 -11.026 -26.979 1.00 0.00 O ATOM 534 NE2 GLN A 33 -29.682 -11.528 -24.955 1.00 0.00 N ATOM 0 H GLN A 33 -27.067 -9.008 -24.305 1.00 0.00 H new ATOM 0 HA GLN A 33 -25.441 -9.130 -26.566 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -27.491 -10.055 -27.652 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -27.119 -10.802 -26.110 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -28.792 -9.119 -25.084 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -29.300 -8.797 -26.730 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -29.040 -11.278 -24.202 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -30.266 -12.360 -24.872 1.00 0.00 H new ATOM 543 N THR A 34 -25.777 -7.090 -27.907 1.00 0.00 N ATOM 544 CA THR A 34 -25.954 -5.916 -28.752 1.00 0.00 C ATOM 545 C THR A 34 -25.077 -5.997 -29.997 1.00 0.00 C ATOM 546 O THR A 34 -24.089 -6.731 -30.043 1.00 0.00 O ATOM 547 CB THR A 34 -25.624 -4.620 -27.989 1.00 0.00 C ATOM 548 OG1 THR A 34 -24.593 -4.867 -27.027 1.00 0.00 O ATOM 549 CG2 THR A 34 -26.859 -4.075 -27.288 1.00 0.00 C ATOM 0 H THR A 34 -24.856 -7.523 -27.973 1.00 0.00 H new ATOM 0 HA THR A 34 -27.002 -5.896 -29.050 1.00 0.00 H new ATOM 0 HB THR A 34 -25.278 -3.879 -28.709 1.00 0.00 H new ATOM 0 HG1 THR A 34 -24.923 -5.491 -26.347 1.00 0.00 H new ATOM 0 HG21 THR A 34 -26.601 -3.159 -26.756 1.00 0.00 H new ATOM 0 HG22 THR A 34 -27.631 -3.860 -28.026 1.00 0.00 H new ATOM 0 HG23 THR A 34 -27.231 -4.814 -26.579 1.00 0.00 H new ATOM 557 N PRO A 35 -25.443 -5.226 -31.031 1.00 0.00 N ATOM 558 CA PRO A 35 -24.701 -5.192 -32.295 1.00 0.00 C ATOM 559 C PRO A 35 -23.339 -4.522 -32.150 1.00 0.00 C ATOM 560 O PRO A 35 -22.383 -4.882 -32.836 1.00 0.00 O ATOM 561 CB PRO A 35 -25.606 -4.370 -33.216 1.00 0.00 C ATOM 562 CG PRO A 35 -26.406 -3.514 -32.295 1.00 0.00 C ATOM 563 CD PRO A 35 -26.608 -4.326 -31.046 1.00 0.00 C ATOM 0 HA PRO A 35 -24.487 -6.193 -32.668 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -25.021 -3.766 -33.910 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -26.249 -5.013 -33.817 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -25.884 -2.583 -32.075 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -27.362 -3.245 -32.744 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -26.640 -3.695 -30.158 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -27.545 -4.882 -31.076 1.00 0.00 H new ATOM 571 N ALA A 36 -23.257 -3.546 -31.252 1.00 0.00 N ATOM 572 CA ALA A 36 -22.011 -2.827 -31.015 1.00 0.00 C ATOM 573 C ALA A 36 -20.928 -3.764 -30.491 1.00 0.00 C ATOM 574 O ALA A 36 -19.736 -3.506 -30.658 1.00 0.00 O ATOM 575 CB ALA A 36 -22.239 -1.683 -30.039 1.00 0.00 C ATOM 0 H ALA A 36 -24.039 -3.235 -30.676 1.00 0.00 H new ATOM 0 HA ALA A 36 -21.671 -2.416 -31.966 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -21.300 -1.155 -29.871 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -22.974 -0.993 -30.453 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -22.606 -2.080 -29.092 1.00 0.00 H new ATOM 581 N ASP A 37 -21.351 -4.852 -29.856 1.00 0.00 N ATOM 582 CA ASP A 37 -20.416 -5.828 -29.307 1.00 0.00 C ATOM 583 C ASP A 37 -19.418 -6.281 -30.368 1.00 0.00 C ATOM 584 O ASP A 37 -18.271 -6.605 -30.058 1.00 0.00 O ATOM 585 CB ASP A 37 -21.174 -7.036 -28.753 1.00 0.00 C ATOM 586 CG ASP A 37 -20.251 -8.054 -28.114 1.00 0.00 C ATOM 587 OD1 ASP A 37 -19.610 -7.718 -27.096 1.00 0.00 O ATOM 588 OD2 ASP A 37 -20.171 -9.188 -28.630 1.00 0.00 O ATOM 0 H ASP A 37 -22.334 -5.080 -29.709 1.00 0.00 H new ATOM 0 HA ASP A 37 -19.865 -5.351 -28.496 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -21.903 -6.698 -28.016 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -21.733 -7.512 -29.559 1.00 0.00 H new ATOM 593 N HIS A 38 -19.863 -6.302 -31.621 1.00 0.00 N ATOM 594 CA HIS A 38 -19.008 -6.717 -32.728 1.00 0.00 C ATOM 595 C HIS A 38 -17.890 -5.704 -32.960 1.00 0.00 C ATOM 596 O HIS A 38 -16.758 -6.075 -33.268 1.00 0.00 O ATOM 597 CB HIS A 38 -19.835 -6.882 -34.004 1.00 0.00 C ATOM 598 CG HIS A 38 -19.127 -7.642 -35.082 1.00 0.00 C ATOM 599 ND1 HIS A 38 -19.243 -9.007 -35.241 1.00 0.00 N ATOM 600 CD2 HIS A 38 -18.291 -7.221 -36.060 1.00 0.00 C ATOM 601 CE1 HIS A 38 -18.508 -9.392 -36.269 1.00 0.00 C ATOM 602 NE2 HIS A 38 -17.920 -8.327 -36.784 1.00 0.00 N ATOM 0 H HIS A 38 -20.809 -6.037 -31.895 1.00 0.00 H new ATOM 0 HA HIS A 38 -18.558 -7.675 -32.468 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -20.765 -7.395 -33.760 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -20.104 -5.896 -34.383 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -17.975 -6.204 -36.238 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -18.405 -10.406 -36.628 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -17.293 -8.326 -37.588 1.00 0.00 H new ATOM 610 N ALA A 39 -18.217 -4.425 -32.810 1.00 0.00 N ATOM 611 CA ALA A 39 -17.240 -3.360 -33.001 1.00 0.00 C ATOM 612 C ALA A 39 -16.286 -3.270 -31.815 1.00 0.00 C ATOM 613 O ALA A 39 -15.151 -2.816 -31.953 1.00 0.00 O ATOM 614 CB ALA A 39 -17.946 -2.029 -33.216 1.00 0.00 C ATOM 0 H ALA A 39 -19.150 -4.101 -32.557 1.00 0.00 H new ATOM 0 HA ALA A 39 -16.652 -3.595 -33.888 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -17.205 -1.243 -33.357 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.581 -2.092 -34.100 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -18.559 -1.797 -32.345 1.00 0.00 H new ATOM 620 N ALA A 40 -16.756 -3.704 -30.650 1.00 0.00 N ATOM 621 CA ALA A 40 -15.943 -3.674 -29.440 1.00 0.00 C ATOM 622 C ALA A 40 -14.612 -4.386 -29.655 1.00 0.00 C ATOM 623 O ALA A 40 -13.614 -4.062 -29.011 1.00 0.00 O ATOM 624 CB ALA A 40 -16.700 -4.303 -28.280 1.00 0.00 C ATOM 0 H ALA A 40 -17.695 -4.080 -30.518 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.732 -2.632 -29.199 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.081 -4.274 -27.383 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.621 -3.748 -28.103 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -16.941 -5.338 -28.521 1.00 0.00 H new ATOM 630 N ILE A 41 -14.606 -5.357 -30.562 1.00 0.00 N ATOM 631 CA ILE A 41 -13.397 -6.115 -30.860 1.00 0.00 C ATOM 632 C ILE A 41 -12.241 -5.187 -31.220 1.00 0.00 C ATOM 633 O ILE A 41 -11.076 -5.519 -31.007 1.00 0.00 O ATOM 634 CB ILE A 41 -13.624 -7.106 -32.017 1.00 0.00 C ATOM 635 CG1 ILE A 41 -14.769 -8.063 -31.679 1.00 0.00 C ATOM 636 CG2 ILE A 41 -12.348 -7.880 -32.310 1.00 0.00 C ATOM 637 CD1 ILE A 41 -15.070 -9.057 -32.779 1.00 0.00 C ATOM 0 H ILE A 41 -15.424 -5.637 -31.103 1.00 0.00 H new ATOM 0 HA ILE A 41 -13.145 -6.673 -29.959 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.897 -6.544 -32.910 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -14.521 -8.606 -30.767 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -15.667 -7.482 -31.469 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.525 -8.576 -33.130 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.556 -7.184 -32.589 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -12.047 -8.435 -31.421 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -15.892 -9.703 -32.471 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.350 -8.522 -33.686 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -14.185 -9.663 -32.974 1.00 0.00 H new ATOM 649 N GLU A 42 -12.574 -4.021 -31.766 1.00 0.00 N ATOM 650 CA GLU A 42 -11.563 -3.045 -32.155 1.00 0.00 C ATOM 651 C GLU A 42 -10.676 -2.678 -30.969 1.00 0.00 C ATOM 652 O GLU A 42 -9.510 -2.322 -31.138 1.00 0.00 O ATOM 653 CB GLU A 42 -12.227 -1.786 -32.717 1.00 0.00 C ATOM 654 CG GLU A 42 -12.872 -0.912 -31.654 1.00 0.00 C ATOM 655 CD GLU A 42 -14.061 -0.132 -32.182 1.00 0.00 C ATOM 656 OE1 GLU A 42 -14.091 0.154 -33.397 1.00 0.00 O ATOM 657 OE2 GLU A 42 -14.961 0.191 -31.380 1.00 0.00 O ATOM 0 H GLU A 42 -13.534 -3.730 -31.949 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.940 -3.495 -32.928 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.480 -1.200 -33.253 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.985 -2.079 -33.444 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.193 -1.537 -30.821 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.130 -0.216 -31.262 1.00 0.00 H new ATOM 664 N ALA A 43 -11.237 -2.767 -29.767 1.00 0.00 N ATOM 665 CA ALA A 43 -10.498 -2.447 -28.553 1.00 0.00 C ATOM 666 C ALA A 43 -9.556 -3.582 -28.168 1.00 0.00 C ATOM 667 O ALA A 43 -8.382 -3.355 -27.870 1.00 0.00 O ATOM 668 CB ALA A 43 -11.461 -2.148 -27.413 1.00 0.00 C ATOM 0 H ALA A 43 -12.202 -3.058 -29.609 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.895 -1.560 -28.747 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.896 -1.910 -26.512 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.090 -1.299 -27.681 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.088 -3.020 -27.228 1.00 0.00 H new ATOM 674 N LEU A 44 -10.076 -4.805 -28.175 1.00 0.00 N ATOM 675 CA LEU A 44 -9.281 -5.977 -27.826 1.00 0.00 C ATOM 676 C LEU A 44 -7.999 -6.030 -28.650 1.00 0.00 C ATOM 677 O LEU A 44 -6.901 -6.133 -28.103 1.00 0.00 O ATOM 678 CB LEU A 44 -10.095 -7.253 -28.044 1.00 0.00 C ATOM 679 CG LEU A 44 -11.432 -7.330 -27.307 1.00 0.00 C ATOM 680 CD1 LEU A 44 -12.393 -8.254 -28.040 1.00 0.00 C ATOM 681 CD2 LEU A 44 -11.226 -7.801 -25.874 1.00 0.00 C ATOM 0 H LEU A 44 -11.045 -5.010 -28.419 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.011 -5.902 -26.773 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.285 -7.361 -29.112 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.486 -8.105 -27.741 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.868 -6.331 -27.281 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.339 -8.297 -27.501 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.566 -7.874 -29.047 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.963 -9.254 -28.098 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.189 -7.850 -25.365 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.767 -8.790 -25.878 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.574 -7.101 -25.351 1.00 0.00 H new ATOM 693 N ASP A 45 -8.146 -5.958 -29.969 1.00 0.00 N ATOM 694 CA ASP A 45 -7.000 -5.994 -30.869 1.00 0.00 C ATOM 695 C ASP A 45 -6.029 -4.859 -30.560 1.00 0.00 C ATOM 696 O ASP A 45 -4.826 -4.977 -30.796 1.00 0.00 O ATOM 697 CB ASP A 45 -7.464 -5.902 -32.324 1.00 0.00 C ATOM 698 CG ASP A 45 -6.371 -6.278 -33.305 1.00 0.00 C ATOM 699 OD1 ASP A 45 -5.380 -5.526 -33.405 1.00 0.00 O ATOM 700 OD2 ASP A 45 -6.508 -7.324 -33.974 1.00 0.00 O ATOM 0 H ASP A 45 -9.048 -5.874 -30.438 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.482 -6.941 -30.719 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.322 -6.558 -32.471 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.801 -4.886 -32.531 1.00 0.00 H new ATOM 705 N ARG A 46 -6.559 -3.762 -30.031 1.00 0.00 N ATOM 706 CA ARG A 46 -5.740 -2.605 -29.691 1.00 0.00 C ATOM 707 C ARG A 46 -4.701 -2.966 -28.633 1.00 0.00 C ATOM 708 O ARG A 46 -3.497 -2.859 -28.867 1.00 0.00 O ATOM 709 CB ARG A 46 -6.620 -1.460 -29.186 1.00 0.00 C ATOM 710 CG ARG A 46 -5.979 -0.089 -29.331 1.00 0.00 C ATOM 711 CD ARG A 46 -6.996 1.025 -29.141 1.00 0.00 C ATOM 712 NE ARG A 46 -6.356 2.320 -28.928 1.00 0.00 N ATOM 713 CZ ARG A 46 -7.028 3.441 -28.691 1.00 0.00 C ATOM 714 NH1 ARG A 46 -8.352 3.426 -28.636 1.00 0.00 N ATOM 715 NH2 ARG A 46 -6.374 4.581 -28.507 1.00 0.00 N ATOM 0 H ARG A 46 -7.552 -3.650 -29.828 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.219 -2.283 -30.593 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.563 -1.470 -29.732 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.857 -1.631 -28.136 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.179 0.019 -28.599 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.523 -0.002 -30.317 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.642 1.080 -30.017 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.634 0.792 -28.289 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.338 2.366 -28.963 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.858 2.552 -28.776 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.865 4.289 -28.454 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.355 4.597 -28.548 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.890 5.442 -28.325 1.00 0.00 H new ATOM 729 N LEU A 47 -5.175 -3.394 -27.468 1.00 0.00 N ATOM 730 CA LEU A 47 -4.288 -3.771 -26.373 1.00 0.00 C ATOM 731 C LEU A 47 -3.318 -4.863 -26.809 1.00 0.00 C ATOM 732 O LEU A 47 -2.111 -4.764 -26.582 1.00 0.00 O ATOM 733 CB LEU A 47 -5.104 -4.248 -25.170 1.00 0.00 C ATOM 734 CG LEU A 47 -6.267 -3.349 -24.748 1.00 0.00 C ATOM 735 CD1 LEU A 47 -6.930 -3.889 -23.490 1.00 0.00 C ATOM 736 CD2 LEU A 47 -5.784 -1.922 -24.528 1.00 0.00 C ATOM 0 H LEU A 47 -6.169 -3.489 -27.257 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.711 -2.892 -26.087 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.500 -5.238 -25.395 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.430 -4.359 -24.320 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.006 -3.343 -25.549 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.755 -3.236 -23.205 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.310 -4.892 -23.681 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.200 -3.926 -22.681 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.624 -1.296 -24.228 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.026 -1.911 -23.745 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.356 -1.536 -25.453 1.00 0.00 H new ATOM 748 N LEU A 48 -3.852 -5.904 -27.440 1.00 0.00 N ATOM 749 CA LEU A 48 -3.033 -7.015 -27.911 1.00 0.00 C ATOM 750 C LEU A 48 -1.945 -6.525 -28.861 1.00 0.00 C ATOM 751 O LEU A 48 -0.765 -6.828 -28.680 1.00 0.00 O ATOM 752 CB LEU A 48 -3.906 -8.057 -28.612 1.00 0.00 C ATOM 753 CG LEU A 48 -5.081 -8.604 -27.799 1.00 0.00 C ATOM 754 CD1 LEU A 48 -6.133 -9.203 -28.719 1.00 0.00 C ATOM 755 CD2 LEU A 48 -4.598 -9.639 -26.794 1.00 0.00 C ATOM 0 H LEU A 48 -4.848 -6.001 -27.637 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.555 -7.474 -27.046 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.298 -7.616 -29.529 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.273 -8.894 -28.906 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.534 -7.778 -27.251 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.961 -9.587 -28.123 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.501 -8.435 -29.400 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.692 -10.017 -29.295 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.447 -10.017 -26.225 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.119 -10.463 -27.322 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.881 -9.179 -26.114 1.00 0.00 H new ATOM 767 N LEU A 49 -2.349 -5.765 -29.873 1.00 0.00 N ATOM 768 CA LEU A 49 -1.408 -5.231 -30.852 1.00 0.00 C ATOM 769 C LEU A 49 -0.346 -4.371 -30.173 1.00 0.00 C ATOM 770 O LEU A 49 0.839 -4.462 -30.494 1.00 0.00 O ATOM 771 CB LEU A 49 -2.151 -4.407 -31.905 1.00 0.00 C ATOM 772 CG LEU A 49 -1.282 -3.526 -32.803 1.00 0.00 C ATOM 773 CD1 LEU A 49 -0.326 -4.378 -33.623 1.00 0.00 C ATOM 774 CD2 LEU A 49 -2.152 -2.670 -33.713 1.00 0.00 C ATOM 0 H LEU A 49 -3.321 -5.505 -30.037 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.912 -6.071 -31.339 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.718 -5.090 -32.538 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.874 -3.770 -31.395 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.692 -2.864 -32.169 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.284 -3.734 -34.256 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.320 -4.946 -32.954 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.896 -5.066 -34.248 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.517 -2.049 -34.345 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.768 -3.315 -34.340 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.795 -2.032 -33.107 1.00 0.00 H new ATOM 786 N ASP A 50 -0.779 -3.539 -29.233 1.00 0.00 N ATOM 787 CA ASP A 50 0.135 -2.665 -28.506 1.00 0.00 C ATOM 788 C ASP A 50 1.209 -3.477 -27.789 1.00 0.00 C ATOM 789 O ASP A 50 2.398 -3.346 -28.079 1.00 0.00 O ATOM 790 CB ASP A 50 -0.636 -1.812 -27.497 1.00 0.00 C ATOM 791 CG ASP A 50 -1.405 -0.685 -28.159 1.00 0.00 C ATOM 792 OD1 ASP A 50 -1.627 -0.760 -29.385 1.00 0.00 O ATOM 793 OD2 ASP A 50 -1.784 0.271 -27.451 1.00 0.00 O ATOM 0 H ASP A 50 -1.757 -3.451 -28.956 1.00 0.00 H new ATOM 0 HA ASP A 50 0.622 -2.009 -29.227 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.330 -2.446 -26.945 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.061 -1.394 -26.771 1.00 0.00 H new ATOM 798 N VAL A 51 0.781 -4.316 -26.851 1.00 0.00 N ATOM 799 CA VAL A 51 1.706 -5.150 -26.092 1.00 0.00 C ATOM 800 C VAL A 51 2.501 -6.068 -27.014 1.00 0.00 C ATOM 801 O VAL A 51 3.613 -6.482 -26.686 1.00 0.00 O ATOM 802 CB VAL A 51 0.963 -6.005 -25.049 1.00 0.00 C ATOM 803 CG1 VAL A 51 0.062 -7.021 -25.735 1.00 0.00 C ATOM 804 CG2 VAL A 51 1.954 -6.698 -24.125 1.00 0.00 C ATOM 0 H VAL A 51 -0.200 -4.436 -26.598 1.00 0.00 H new ATOM 0 HA VAL A 51 2.391 -4.476 -25.577 1.00 0.00 H new ATOM 0 HB VAL A 51 0.336 -5.348 -24.446 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.455 -7.616 -24.982 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.671 -6.500 -26.351 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.665 -7.676 -26.364 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.412 -7.298 -23.394 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.608 -7.344 -24.711 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.553 -5.949 -23.607 1.00 0.00 H new ATOM 814 N ARG A 52 1.923 -6.383 -28.168 1.00 0.00 N ATOM 815 CA ARG A 52 2.577 -7.253 -29.138 1.00 0.00 C ATOM 816 C ARG A 52 3.671 -6.502 -29.892 1.00 0.00 C ATOM 817 O ARG A 52 4.676 -7.087 -30.293 1.00 0.00 O ATOM 818 CB ARG A 52 1.552 -7.811 -30.127 1.00 0.00 C ATOM 819 CG ARG A 52 2.155 -8.738 -31.170 1.00 0.00 C ATOM 820 CD ARG A 52 1.090 -9.296 -32.101 1.00 0.00 C ATOM 821 NE ARG A 52 1.673 -9.955 -33.267 1.00 0.00 N ATOM 822 CZ ARG A 52 0.971 -10.687 -34.125 1.00 0.00 C ATOM 823 NH1 ARG A 52 -0.333 -10.853 -33.948 1.00 0.00 N ATOM 824 NH2 ARG A 52 1.573 -11.255 -35.162 1.00 0.00 N ATOM 0 H ARG A 52 1.003 -6.049 -28.454 1.00 0.00 H new ATOM 0 HA ARG A 52 3.036 -8.080 -28.595 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.783 -8.351 -29.575 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.058 -6.981 -30.633 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.901 -8.197 -31.752 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.672 -9.559 -30.673 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.468 -10.007 -31.556 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.437 -8.488 -32.430 1.00 0.00 H new ATOM 0 HE ARG A 52 2.674 -9.847 -33.431 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.799 -10.418 -33.152 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.870 -11.415 -34.608 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.576 -11.130 -35.301 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.033 -11.817 -35.820 1.00 0.00 H new ATOM 838 N ALA A 53 3.466 -5.202 -30.081 1.00 0.00 N ATOM 839 CA ALA A 53 4.435 -4.371 -30.784 1.00 0.00 C ATOM 840 C ALA A 53 5.358 -3.655 -29.805 1.00 0.00 C ATOM 841 O ALA A 53 5.900 -2.593 -30.111 1.00 0.00 O ATOM 842 CB ALA A 53 3.719 -3.363 -31.672 1.00 0.00 C ATOM 0 H ALA A 53 2.638 -4.702 -29.757 1.00 0.00 H new ATOM 0 HA ALA A 53 5.047 -5.020 -31.410 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.454 -2.749 -32.191 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.107 -3.892 -32.403 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.082 -2.726 -31.059 1.00 0.00 H new ATOM 848 N ARG A 54 5.532 -4.242 -28.625 1.00 0.00 N ATOM 849 CA ARG A 54 6.388 -3.659 -27.600 1.00 0.00 C ATOM 850 C ARG A 54 6.010 -2.203 -27.339 1.00 0.00 C ATOM 851 O ARG A 54 6.878 -1.345 -27.178 1.00 0.00 O ATOM 852 CB ARG A 54 7.857 -3.747 -28.021 1.00 0.00 C ATOM 853 CG ARG A 54 8.326 -5.166 -28.299 1.00 0.00 C ATOM 854 CD ARG A 54 9.803 -5.204 -28.657 1.00 0.00 C ATOM 855 NE ARG A 54 10.055 -4.675 -29.995 1.00 0.00 N ATOM 856 CZ ARG A 54 11.263 -4.348 -30.440 1.00 0.00 C ATOM 857 NH1 ARG A 54 12.324 -4.496 -29.658 1.00 0.00 N ATOM 858 NH2 ARG A 54 11.413 -3.872 -31.670 1.00 0.00 N ATOM 0 H ARG A 54 5.091 -5.121 -28.356 1.00 0.00 H new ATOM 0 HA ARG A 54 6.246 -4.225 -26.679 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.007 -3.142 -28.915 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.478 -3.315 -27.236 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.147 -5.788 -27.422 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.742 -5.590 -29.115 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.368 -4.626 -27.926 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.164 -6.231 -28.599 1.00 0.00 H new ATOM 0 HE ARG A 54 9.260 -4.550 -30.622 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.213 -4.862 -28.712 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.250 -4.244 -30.002 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.600 -3.757 -32.275 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.341 -3.621 -32.010 1.00 0.00 H new ATOM 872 N ARG A 55 4.710 -1.934 -27.300 1.00 0.00 N ATOM 873 CA ARG A 55 4.216 -0.583 -27.060 1.00 0.00 C ATOM 874 C ARG A 55 3.593 -0.469 -25.672 1.00 0.00 C ATOM 875 O ARG A 55 2.726 0.372 -25.436 1.00 0.00 O ATOM 876 CB ARG A 55 3.189 -0.196 -28.126 1.00 0.00 C ATOM 877 CG ARG A 55 3.803 0.105 -29.483 1.00 0.00 C ATOM 878 CD ARG A 55 4.408 1.500 -29.524 1.00 0.00 C ATOM 879 NE ARG A 55 3.392 2.541 -29.399 1.00 0.00 N ATOM 880 CZ ARG A 55 2.623 2.943 -30.405 1.00 0.00 C ATOM 881 NH1 ARG A 55 2.755 2.393 -31.604 1.00 0.00 N ATOM 882 NH2 ARG A 55 1.721 3.896 -30.213 1.00 0.00 N ATOM 0 H ARG A 55 3.979 -2.633 -27.431 1.00 0.00 H new ATOM 0 HA ARG A 55 5.063 0.101 -27.115 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.468 -1.006 -28.235 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.636 0.679 -27.785 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.573 -0.633 -29.707 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.040 0.015 -30.257 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.134 1.604 -28.718 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.950 1.633 -30.460 1.00 0.00 H new ATOM 0 HE ARG A 55 3.266 2.984 -28.489 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.448 1.660 -31.755 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.164 2.703 -32.375 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.617 4.322 -29.292 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.131 4.203 -30.986 1.00 0.00 H new ATOM 896 N VAL A 56 4.040 -1.323 -24.757 1.00 0.00 N ATOM 897 CA VAL A 56 3.527 -1.319 -23.392 1.00 0.00 C ATOM 898 C VAL A 56 4.406 -0.474 -22.477 1.00 0.00 C ATOM 899 O VAL A 56 5.625 -0.421 -22.645 1.00 0.00 O ATOM 900 CB VAL A 56 3.436 -2.747 -22.822 1.00 0.00 C ATOM 901 CG1 VAL A 56 4.824 -3.348 -22.662 1.00 0.00 C ATOM 902 CG2 VAL A 56 2.690 -2.744 -21.496 1.00 0.00 C ATOM 0 H VAL A 56 4.756 -2.027 -24.936 1.00 0.00 H new ATOM 0 HA VAL A 56 2.527 -0.887 -23.431 1.00 0.00 H new ATOM 0 HB VAL A 56 2.878 -3.366 -23.525 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.739 -4.357 -22.258 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.318 -3.386 -23.633 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.411 -2.732 -21.980 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.635 -3.761 -21.107 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.218 -2.111 -20.783 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.682 -2.358 -21.647 1.00 0.00 H new ATOM 912 N ASP A 57 3.781 0.186 -21.508 1.00 0.00 N ATOM 913 CA ASP A 57 4.506 1.028 -20.565 1.00 0.00 C ATOM 914 C ASP A 57 3.853 0.987 -19.186 1.00 0.00 C ATOM 915 O ASP A 57 2.788 0.396 -19.012 1.00 0.00 O ATOM 916 CB ASP A 57 4.562 2.469 -21.073 1.00 0.00 C ATOM 917 CG ASP A 57 3.188 3.027 -21.386 1.00 0.00 C ATOM 918 OD1 ASP A 57 2.311 2.978 -20.498 1.00 0.00 O ATOM 919 OD2 ASP A 57 2.989 3.514 -22.518 1.00 0.00 O ATOM 0 H ASP A 57 2.773 0.154 -21.355 1.00 0.00 H new ATOM 0 HA ASP A 57 5.522 0.642 -20.478 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.044 3.097 -20.323 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.181 2.511 -21.969 1.00 0.00 H new ATOM 924 N GLN A 58 4.500 1.617 -18.212 1.00 0.00 N ATOM 925 CA GLN A 58 3.983 1.651 -16.849 1.00 0.00 C ATOM 926 C GLN A 58 3.175 2.921 -16.604 1.00 0.00 C ATOM 927 O GLN A 58 3.475 3.977 -17.162 1.00 0.00 O ATOM 928 CB GLN A 58 5.131 1.561 -15.842 1.00 0.00 C ATOM 929 CG GLN A 58 6.092 2.738 -15.909 1.00 0.00 C ATOM 930 CD GLN A 58 7.228 2.508 -16.886 1.00 0.00 C ATOM 931 OE1 GLN A 58 7.869 1.457 -16.876 1.00 0.00 O ATOM 932 NE2 GLN A 58 7.484 3.494 -17.739 1.00 0.00 N ATOM 0 H GLN A 58 5.383 2.111 -18.341 1.00 0.00 H new ATOM 0 HA GLN A 58 3.325 0.792 -16.717 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.717 1.498 -14.836 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.686 0.639 -16.017 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.544 3.634 -16.200 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.503 2.924 -14.917 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.928 4.349 -17.713 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.237 3.396 -18.420 1.00 0.00 H new ATOM 941 N PHE A 59 2.147 2.811 -15.768 1.00 0.00 N ATOM 942 CA PHE A 59 1.295 3.950 -15.451 1.00 0.00 C ATOM 943 C PHE A 59 0.740 3.837 -14.034 1.00 0.00 C ATOM 944 O PHE A 59 0.716 2.753 -13.452 1.00 0.00 O ATOM 945 CB PHE A 59 0.144 4.048 -16.455 1.00 0.00 C ATOM 946 CG PHE A 59 -0.455 5.422 -16.549 1.00 0.00 C ATOM 947 CD1 PHE A 59 0.337 6.518 -16.855 1.00 0.00 C ATOM 948 CD2 PHE A 59 -1.809 5.619 -16.331 1.00 0.00 C ATOM 949 CE1 PHE A 59 -0.212 7.783 -16.941 1.00 0.00 C ATOM 950 CE2 PHE A 59 -2.363 6.882 -16.416 1.00 0.00 C ATOM 951 CZ PHE A 59 -1.563 7.966 -16.723 1.00 0.00 C ATOM 0 H PHE A 59 1.885 1.944 -15.298 1.00 0.00 H new ATOM 0 HA PHE A 59 1.901 4.854 -15.514 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.505 3.750 -17.439 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.635 3.339 -16.173 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.394 6.382 -17.028 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.439 4.775 -16.092 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.416 8.629 -17.179 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.420 7.022 -16.243 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.993 8.954 -16.792 1.00 0.00 H new ATOM 961 N GLN A 60 0.297 4.964 -13.487 1.00 0.00 N ATOM 962 CA GLN A 60 -0.256 4.992 -12.138 1.00 0.00 C ATOM 963 C GLN A 60 -0.819 6.370 -11.808 1.00 0.00 C ATOM 964 O GLN A 60 -0.084 7.357 -11.766 1.00 0.00 O ATOM 965 CB GLN A 60 0.816 4.608 -11.117 1.00 0.00 C ATOM 966 CG GLN A 60 2.061 5.476 -11.186 1.00 0.00 C ATOM 967 CD GLN A 60 3.259 4.835 -10.514 1.00 0.00 C ATOM 968 OE1 GLN A 60 3.945 4.001 -11.107 1.00 0.00 O ATOM 969 NE2 GLN A 60 3.517 5.220 -9.270 1.00 0.00 N ATOM 0 H GLN A 60 0.310 5.869 -13.957 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.069 4.268 -12.091 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.392 4.675 -10.115 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.100 3.567 -11.275 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.300 5.678 -12.230 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.856 6.437 -10.714 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.922 5.914 -8.817 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.310 4.822 -8.767 1.00 0.00 H new ATOM 978 N ILE A 61 -2.126 6.430 -11.576 1.00 0.00 N ATOM 979 CA ILE A 61 -2.786 7.688 -11.249 1.00 0.00 C ATOM 980 C ILE A 61 -2.678 7.995 -9.759 1.00 0.00 C ATOM 981 O ILE A 61 -2.616 9.156 -9.357 1.00 0.00 O ATOM 982 CB ILE A 61 -4.273 7.664 -11.651 1.00 0.00 C ATOM 983 CG1 ILE A 61 -5.006 6.545 -10.909 1.00 0.00 C ATOM 984 CG2 ILE A 61 -4.412 7.489 -13.156 1.00 0.00 C ATOM 985 CD1 ILE A 61 -6.478 6.461 -11.246 1.00 0.00 C ATOM 0 H ILE A 61 -2.749 5.623 -11.608 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.277 8.468 -11.815 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.725 8.616 -11.372 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.532 5.592 -11.145 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.895 6.698 -9.836 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.468 7.474 -13.425 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.920 8.317 -13.666 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.948 6.550 -13.458 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.934 5.646 -10.684 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.965 7.400 -10.984 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.597 6.276 -12.314 1.00 0.00 H new ATOM 997 N ASN A 62 -2.655 6.945 -8.945 1.00 0.00 N ATOM 998 CA ASN A 62 -2.553 7.102 -7.498 1.00 0.00 C ATOM 999 C ASN A 62 -1.395 6.279 -6.942 1.00 0.00 C ATOM 1000 O ASN A 62 -0.699 6.711 -6.023 1.00 0.00 O ATOM 1001 CB ASN A 62 -3.861 6.682 -6.826 1.00 0.00 C ATOM 1002 CG ASN A 62 -4.912 7.775 -6.871 1.00 0.00 C ATOM 1003 OD1 ASN A 62 -5.364 8.172 -7.945 1.00 0.00 O ATOM 1004 ND2 ASN A 62 -5.304 8.267 -5.702 1.00 0.00 N ATOM 0 H ASN A 62 -2.706 5.977 -9.262 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.363 8.154 -7.284 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.248 5.789 -7.317 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.663 6.414 -5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.008 9.005 -5.669 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.902 7.907 -4.837 1.00 0.00 H new ATOM 1011 N ALA A 63 -1.195 5.092 -7.506 1.00 0.00 N ATOM 1012 CA ALA A 63 -0.120 4.210 -7.068 1.00 0.00 C ATOM 1013 C ALA A 63 -0.332 3.760 -5.627 1.00 0.00 C ATOM 1014 O ALA A 63 0.611 3.355 -4.948 1.00 0.00 O ATOM 1015 CB ALA A 63 1.225 4.905 -7.214 1.00 0.00 C ATOM 0 H ALA A 63 -1.763 4.719 -8.267 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.129 3.324 -7.702 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.019 4.235 -6.883 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.386 5.170 -8.259 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.236 5.809 -6.605 1.00 0.00 H new ATOM 1021 N SER A 64 -1.576 3.834 -5.165 1.00 0.00 N ATOM 1022 CA SER A 64 -1.911 3.438 -3.803 1.00 0.00 C ATOM 1023 C SER A 64 -2.828 2.219 -3.801 1.00 0.00 C ATOM 1024 O SER A 64 -2.785 1.397 -2.886 1.00 0.00 O ATOM 1025 CB SER A 64 -2.582 4.596 -3.062 1.00 0.00 C ATOM 1026 OG SER A 64 -1.763 5.752 -3.074 1.00 0.00 O ATOM 0 H SER A 64 -2.369 4.165 -5.715 1.00 0.00 H new ATOM 0 HA SER A 64 -0.986 3.176 -3.290 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.542 4.822 -3.527 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.787 4.303 -2.032 1.00 0.00 H new ATOM 0 HG SER A 64 -2.215 6.478 -2.596 1.00 0.00 H new ATOM 1032 N ALA A 65 -3.658 2.109 -4.833 1.00 0.00 N ATOM 1033 CA ALA A 65 -4.585 0.990 -4.953 1.00 0.00 C ATOM 1034 C ALA A 65 -4.303 0.176 -6.211 1.00 0.00 C ATOM 1035 O ALA A 65 -4.415 0.682 -7.327 1.00 0.00 O ATOM 1036 CB ALA A 65 -6.021 1.492 -4.958 1.00 0.00 C ATOM 0 H ALA A 65 -3.708 2.781 -5.598 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.443 0.339 -4.091 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.702 0.646 -5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.224 2.024 -4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.168 2.167 -5.801 1.00 0.00 H new ATOM 1042 N ALA A 66 -3.936 -1.087 -6.023 1.00 0.00 N ATOM 1043 CA ALA A 66 -3.639 -1.972 -7.143 1.00 0.00 C ATOM 1044 C ALA A 66 -2.628 -1.336 -8.091 1.00 0.00 C ATOM 1045 O ALA A 66 -2.954 -1.010 -9.232 1.00 0.00 O ATOM 1046 CB ALA A 66 -4.917 -2.324 -7.890 1.00 0.00 C ATOM 0 H ALA A 66 -3.837 -1.521 -5.105 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.200 -2.887 -6.745 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.681 -2.985 -8.724 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.608 -2.826 -7.213 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.379 -1.413 -8.269 1.00 0.00 H new ATOM 1052 N GLN A 67 -1.401 -1.162 -7.611 1.00 0.00 N ATOM 1053 CA GLN A 67 -0.343 -0.564 -8.416 1.00 0.00 C ATOM 1054 C GLN A 67 0.371 -1.622 -9.250 1.00 0.00 C ATOM 1055 O GLN A 67 0.653 -2.720 -8.768 1.00 0.00 O ATOM 1056 CB GLN A 67 0.663 0.160 -7.519 1.00 0.00 C ATOM 1057 CG GLN A 67 1.906 0.632 -8.256 1.00 0.00 C ATOM 1058 CD GLN A 67 1.577 1.451 -9.489 1.00 0.00 C ATOM 1059 OE1 GLN A 67 0.479 1.994 -9.614 1.00 0.00 O ATOM 1060 NE2 GLN A 67 2.531 1.545 -10.409 1.00 0.00 N ATOM 0 H GLN A 67 -1.115 -1.427 -6.668 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.801 0.158 -9.093 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.175 1.020 -7.060 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.962 -0.507 -6.710 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.519 1.229 -7.581 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.502 -0.233 -8.547 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.427 1.079 -10.264 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.368 2.083 -11.260 1.00 0.00 H new ATOM 1069 N ILE A 68 0.660 -1.286 -10.503 1.00 0.00 N ATOM 1070 CA ILE A 68 1.342 -2.208 -11.403 1.00 0.00 C ATOM 1071 C ILE A 68 2.486 -1.515 -12.135 1.00 0.00 C ATOM 1072 O ILE A 68 2.361 -0.365 -12.556 1.00 0.00 O ATOM 1073 CB ILE A 68 0.371 -2.805 -12.438 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -0.794 -3.503 -11.734 1.00 0.00 C ATOM 1075 CG2 ILE A 68 1.103 -3.775 -13.353 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -1.992 -2.607 -11.513 1.00 0.00 C ATOM 0 H ILE A 68 0.432 -0.382 -10.918 1.00 0.00 H new ATOM 0 HA ILE A 68 1.743 -3.013 -10.787 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.031 -1.995 -13.047 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.100 -4.366 -12.325 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.451 -3.882 -10.771 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.403 -4.189 -14.079 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.901 -3.249 -13.877 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.530 -4.583 -12.759 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.779 -3.169 -11.009 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.702 -1.757 -10.896 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.361 -2.249 -12.474 1.00 0.00 H new ATOM 1088 N ILE A 69 3.600 -2.224 -12.286 1.00 0.00 N ATOM 1089 CA ILE A 69 4.765 -1.679 -12.970 1.00 0.00 C ATOM 1090 C ILE A 69 5.236 -2.611 -14.081 1.00 0.00 C ATOM 1091 O ILE A 69 5.471 -3.798 -13.853 1.00 0.00 O ATOM 1092 CB ILE A 69 5.929 -1.434 -11.992 1.00 0.00 C ATOM 1093 CG1 ILE A 69 5.499 -0.474 -10.882 1.00 0.00 C ATOM 1094 CG2 ILE A 69 7.139 -0.886 -12.735 1.00 0.00 C ATOM 1095 CD1 ILE A 69 4.840 -1.163 -9.708 1.00 0.00 C ATOM 0 H ILE A 69 3.720 -3.177 -11.944 1.00 0.00 H new ATOM 0 HA ILE A 69 4.460 -0.727 -13.403 1.00 0.00 H new ATOM 0 HB ILE A 69 6.207 -2.384 -11.536 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.373 0.073 -10.528 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.808 0.261 -11.296 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.953 -0.718 -12.030 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.456 -1.603 -13.492 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.875 0.056 -13.216 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.562 -0.421 -8.960 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.947 -1.688 -10.048 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.536 -1.878 -9.268 1.00 0.00 H new ATOM 1107 N VAL A 70 5.374 -2.065 -15.285 1.00 0.00 N ATOM 1108 CA VAL A 70 5.821 -2.847 -16.432 1.00 0.00 C ATOM 1109 C VAL A 70 7.342 -2.883 -16.514 1.00 0.00 C ATOM 1110 O VAL A 70 7.982 -1.885 -16.848 1.00 0.00 O ATOM 1111 CB VAL A 70 5.260 -2.280 -17.750 1.00 0.00 C ATOM 1112 CG1 VAL A 70 5.758 -3.093 -18.936 1.00 0.00 C ATOM 1113 CG2 VAL A 70 3.739 -2.253 -17.714 1.00 0.00 C ATOM 0 H VAL A 70 5.183 -1.085 -15.492 1.00 0.00 H new ATOM 0 HA VAL A 70 5.444 -3.860 -16.291 1.00 0.00 H new ATOM 0 HB VAL A 70 5.617 -1.256 -17.865 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.351 -2.678 -19.858 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.847 -3.056 -18.971 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.433 -4.128 -18.830 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.360 -1.850 -18.653 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.360 -3.266 -17.575 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.406 -1.624 -16.888 1.00 0.00 H new ATOM 1123 N THR A 71 7.919 -4.041 -16.207 1.00 0.00 N ATOM 1124 CA THR A 71 9.366 -4.208 -16.245 1.00 0.00 C ATOM 1125 C THR A 71 9.873 -4.294 -17.680 1.00 0.00 C ATOM 1126 O THR A 71 10.174 -5.378 -18.179 1.00 0.00 O ATOM 1127 CB THR A 71 9.806 -5.472 -15.482 1.00 0.00 C ATOM 1128 OG1 THR A 71 9.008 -6.591 -15.886 1.00 0.00 O ATOM 1129 CG2 THR A 71 9.679 -5.268 -13.980 1.00 0.00 C ATOM 0 H THR A 71 7.405 -4.877 -15.929 1.00 0.00 H new ATOM 0 HA THR A 71 9.797 -3.331 -15.762 1.00 0.00 H new ATOM 0 HB THR A 71 10.852 -5.668 -15.719 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.079 -6.448 -15.607 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.995 -6.173 -13.462 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.310 -4.434 -13.671 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.641 -5.050 -13.729 1.00 0.00 H new ATOM 1137 N ASP A 72 9.965 -3.144 -18.339 1.00 0.00 N ATOM 1138 CA ASP A 72 10.437 -3.088 -19.718 1.00 0.00 C ATOM 1139 C ASP A 72 11.714 -2.261 -19.822 1.00 0.00 C ATOM 1140 O ASP A 72 12.414 -2.306 -20.835 1.00 0.00 O ATOM 1141 CB ASP A 72 9.357 -2.498 -20.626 1.00 0.00 C ATOM 1142 CG ASP A 72 9.134 -1.020 -20.375 1.00 0.00 C ATOM 1143 OD1 ASP A 72 8.780 -0.658 -19.234 1.00 0.00 O ATOM 1144 OD2 ASP A 72 9.315 -0.224 -21.321 1.00 0.00 O ATOM 0 H ASP A 72 9.719 -2.238 -17.941 1.00 0.00 H new ATOM 0 HA ASP A 72 10.657 -4.105 -20.042 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.641 -2.648 -21.668 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.422 -3.035 -20.470 1.00 0.00 H new