USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 477 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 1 PHE N :NH3+ 144:sc= 0.374 (180deg=0.0403) USER MOD Single : A 2 THR OG1 : rot -170:sc= -0.679 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc=-0.000819 F(o=-1.6,f=-0.00082) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -8:sc= -0.333 USER MOD Single : A 42 ASN : amide:sc= -0.045 K(o=-0.045,f=-1!) USER MOD Single : A 44 LYS NZ :NH3+ 166:sc= 0.632 (180deg=0.386) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 78:sc= 0.454 USER MOD Single : A 55 GLN : amide:sc= -0.467 X(o=-0.47,f=-0.83) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -6.186 -35.362 7.949 1.00 24.31 N ATOM 2 CA PHE A 1 -4.914 -34.684 7.612 1.00 2.24 C ATOM 3 C PHE A 1 -4.253 -35.368 6.398 1.00 3.41 C ATOM 4 O PHE A 1 -3.846 -36.528 6.485 1.00 14.12 O ATOM 5 CB PHE A 1 -3.959 -34.706 8.830 1.00 2.13 C ATOM 6 CG PHE A 1 -4.528 -34.032 10.083 1.00 55.12 C ATOM 7 CD1 PHE A 1 -4.456 -32.647 10.247 1.00 32.43 C ATOM 8 CD2 PHE A 1 -5.147 -34.780 11.088 1.00 61.13 C ATOM 9 CE1 PHE A 1 -4.973 -32.036 11.375 1.00 3.51 C ATOM 10 CE2 PHE A 1 -5.665 -34.168 12.215 1.00 12.24 C ATOM 11 CZ PHE A 1 -5.580 -32.794 12.359 1.00 20.35 C ATOM 0 H1 PHE A 1 -6.313 -35.368 8.981 1.00 24.31 H new ATOM 0 H2 PHE A 1 -6.978 -34.854 7.506 1.00 24.31 H new ATOM 0 H3 PHE A 1 -6.162 -36.340 7.597 1.00 24.31 H new ATOM 0 HA PHE A 1 -5.125 -33.646 7.354 1.00 2.24 H new ATOM 0 HB2 PHE A 1 -3.713 -35.741 9.067 1.00 2.13 H new ATOM 0 HB3 PHE A 1 -3.027 -34.212 8.556 1.00 2.13 H new ATOM 0 HD1 PHE A 1 -3.990 -32.044 9.482 1.00 32.43 H new ATOM 0 HD2 PHE A 1 -5.222 -35.852 10.983 1.00 61.13 H new ATOM 0 HE1 PHE A 1 -4.902 -30.964 11.487 1.00 3.51 H new ATOM 0 HE2 PHE A 1 -6.136 -34.763 12.983 1.00 12.24 H new ATOM 0 HZ PHE A 1 -5.987 -32.315 13.238 1.00 20.35 H new ATOM 23 N THR A 2 -4.180 -34.651 5.256 1.00 44.22 N ATOM 24 CA THR A 2 -3.524 -35.141 4.010 1.00 11.01 C ATOM 25 C THR A 2 -2.557 -34.084 3.448 1.00 33.55 C ATOM 26 O THR A 2 -2.737 -32.882 3.680 1.00 34.10 O ATOM 27 CB THR A 2 -4.559 -35.515 2.886 1.00 3.31 C ATOM 28 OG1 THR A 2 -5.291 -34.347 2.479 1.00 5.35 O ATOM 29 CG2 THR A 2 -5.544 -36.613 3.339 1.00 74.51 C ATOM 0 H THR A 2 -4.573 -33.714 5.165 1.00 44.22 H new ATOM 0 HA THR A 2 -2.980 -36.042 4.293 1.00 11.01 H new ATOM 0 HB THR A 2 -3.990 -35.909 2.044 1.00 3.31 H new ATOM 0 HG1 THR A 2 -6.035 -34.613 1.899 1.00 5.35 H new ATOM 0 HG21 THR A 2 -6.238 -36.836 2.529 1.00 74.51 H new ATOM 0 HG22 THR A 2 -4.989 -37.514 3.600 1.00 74.51 H new ATOM 0 HG23 THR A 2 -6.102 -36.265 4.209 1.00 74.51 H new ATOM 37 N LEU A 3 -1.543 -34.553 2.691 1.00 35.34 N ATOM 38 CA LEU A 3 -0.625 -33.678 1.911 1.00 22.12 C ATOM 39 C LEU A 3 -1.399 -32.848 0.853 1.00 34.22 C ATOM 40 O LEU A 3 -0.915 -31.811 0.394 1.00 63.44 O ATOM 41 CB LEU A 3 0.503 -34.511 1.211 1.00 51.30 C ATOM 42 CG LEU A 3 0.110 -35.392 -0.035 1.00 13.23 C ATOM 43 CD1 LEU A 3 1.366 -35.997 -0.711 1.00 25.13 C ATOM 44 CD2 LEU A 3 -0.896 -36.511 0.323 1.00 75.30 C ATOM 0 H LEU A 3 -1.333 -35.547 2.599 1.00 35.34 H new ATOM 0 HA LEU A 3 -0.161 -32.993 2.620 1.00 22.12 H new ATOM 0 HB2 LEU A 3 1.283 -33.818 0.897 1.00 51.30 H new ATOM 0 HB3 LEU A 3 0.944 -35.169 1.959 1.00 51.30 H new ATOM 0 HG LEU A 3 -0.383 -34.724 -0.741 1.00 13.23 H new ATOM 0 HD11 LEU A 3 1.064 -36.600 -1.567 1.00 25.13 H new ATOM 0 HD12 LEU A 3 2.022 -35.193 -1.046 1.00 25.13 H new ATOM 0 HD13 LEU A 3 1.898 -36.624 0.004 1.00 25.13 H new ATOM 0 HD21 LEU A 3 -1.133 -37.087 -0.571 1.00 75.30 H new ATOM 0 HD22 LEU A 3 -0.457 -37.169 1.073 1.00 75.30 H new ATOM 0 HD23 LEU A 3 -1.809 -36.066 0.720 1.00 75.30 H new ATOM 56 N ILE A 4 -2.609 -33.333 0.488 1.00 11.53 N ATOM 57 CA ILE A 4 -3.526 -32.642 -0.447 1.00 55.04 C ATOM 58 C ILE A 4 -4.095 -31.362 0.207 1.00 31.01 C ATOM 59 O ILE A 4 -4.083 -30.298 -0.400 1.00 73.31 O ATOM 60 CB ILE A 4 -4.710 -33.592 -0.895 1.00 72.04 C ATOM 61 CG1 ILE A 4 -4.155 -34.912 -1.536 1.00 11.14 C ATOM 62 CG2 ILE A 4 -5.703 -32.875 -1.856 1.00 13.53 C ATOM 63 CD1 ILE A 4 -3.284 -34.701 -2.769 1.00 11.11 C ATOM 0 H ILE A 4 -2.977 -34.218 0.836 1.00 11.53 H new ATOM 0 HA ILE A 4 -2.955 -32.367 -1.334 1.00 55.04 H new ATOM 0 HB ILE A 4 -5.270 -33.857 0.002 1.00 72.04 H new ATOM 0 HG12 ILE A 4 -3.575 -35.449 -0.785 1.00 11.14 H new ATOM 0 HG13 ILE A 4 -4.996 -35.551 -1.806 1.00 11.14 H new ATOM 0 HG21 ILE A 4 -6.499 -33.565 -2.137 1.00 13.53 H new ATOM 0 HG22 ILE A 4 -6.134 -32.009 -1.354 1.00 13.53 H new ATOM 0 HG23 ILE A 4 -5.172 -32.549 -2.750 1.00 13.53 H new ATOM 0 HD11 ILE A 4 -2.945 -35.666 -3.145 1.00 11.11 H new ATOM 0 HD12 ILE A 4 -3.863 -34.194 -3.541 1.00 11.11 H new ATOM 0 HD13 ILE A 4 -2.420 -34.091 -2.504 1.00 11.11 H new ATOM 75 N GLU A 5 -4.572 -31.496 1.461 1.00 73.33 N ATOM 76 CA GLU A 5 -5.063 -30.357 2.275 1.00 30.43 C ATOM 77 C GLU A 5 -3.954 -29.304 2.496 1.00 34.12 C ATOM 78 O GLU A 5 -4.207 -28.115 2.396 1.00 53.41 O ATOM 79 CB GLU A 5 -5.609 -30.863 3.637 1.00 33.53 C ATOM 80 CG GLU A 5 -6.874 -31.742 3.550 1.00 74.14 C ATOM 81 CD GLU A 5 -8.088 -31.000 2.958 1.00 54.11 C ATOM 82 OE1 GLU A 5 -8.785 -30.280 3.714 1.00 70.12 O ATOM 83 OE2 GLU A 5 -8.353 -31.115 1.743 1.00 22.22 O ATOM 0 H GLU A 5 -4.629 -32.394 1.941 1.00 73.33 H new ATOM 0 HA GLU A 5 -5.874 -29.878 1.726 1.00 30.43 H new ATOM 0 HB2 GLU A 5 -4.824 -31.431 4.137 1.00 33.53 H new ATOM 0 HB3 GLU A 5 -5.828 -30.000 4.266 1.00 33.53 H new ATOM 0 HG2 GLU A 5 -6.658 -32.618 2.939 1.00 74.14 H new ATOM 0 HG3 GLU A 5 -7.127 -32.103 4.547 1.00 74.14 H new ATOM 90 N LEU A 6 -2.723 -29.778 2.782 1.00 3.13 N ATOM 91 CA LEU A 6 -1.532 -28.903 2.948 1.00 2.51 C ATOM 92 C LEU A 6 -1.179 -28.159 1.641 1.00 72.44 C ATOM 93 O LEU A 6 -0.746 -27.002 1.677 1.00 11.41 O ATOM 94 CB LEU A 6 -0.319 -29.743 3.417 1.00 11.34 C ATOM 95 CG LEU A 6 -0.513 -30.530 4.753 1.00 64.22 C ATOM 96 CD1 LEU A 6 0.723 -31.404 5.075 1.00 33.05 C ATOM 97 CD2 LEU A 6 -0.854 -29.580 5.936 1.00 22.11 C ATOM 0 H LEU A 6 -2.522 -30.770 2.905 1.00 3.13 H new ATOM 0 HA LEU A 6 -1.775 -28.155 3.702 1.00 2.51 H new ATOM 0 HB2 LEU A 6 -0.068 -30.455 2.631 1.00 11.34 H new ATOM 0 HB3 LEU A 6 0.537 -29.078 3.530 1.00 11.34 H new ATOM 0 HG LEU A 6 -1.365 -31.196 4.615 1.00 64.22 H new ATOM 0 HD11 LEU A 6 0.557 -31.939 6.010 1.00 33.05 H new ATOM 0 HD12 LEU A 6 0.881 -32.122 4.270 1.00 33.05 H new ATOM 0 HD13 LEU A 6 1.603 -30.768 5.172 1.00 33.05 H new ATOM 0 HD21 LEU A 6 -0.981 -30.165 6.847 1.00 22.11 H new ATOM 0 HD22 LEU A 6 -0.043 -28.865 6.074 1.00 22.11 H new ATOM 0 HD23 LEU A 6 -1.777 -29.043 5.717 1.00 22.11 H new ATOM 109 N LEU A 7 -1.351 -28.857 0.504 1.00 22.33 N ATOM 110 CA LEU A 7 -1.143 -28.300 -0.846 1.00 53.33 C ATOM 111 C LEU A 7 -2.169 -27.174 -1.121 1.00 20.04 C ATOM 112 O LEU A 7 -1.808 -26.134 -1.659 1.00 30.03 O ATOM 113 CB LEU A 7 -1.248 -29.468 -1.882 1.00 35.13 C ATOM 114 CG LEU A 7 -0.764 -29.226 -3.361 1.00 33.24 C ATOM 115 CD1 LEU A 7 -0.583 -30.577 -4.088 1.00 41.14 C ATOM 116 CD2 LEU A 7 -1.722 -28.318 -4.178 1.00 63.32 C ATOM 0 H LEU A 7 -1.642 -29.835 0.496 1.00 22.33 H new ATOM 0 HA LEU A 7 -0.154 -27.850 -0.932 1.00 53.33 H new ATOM 0 HB2 LEU A 7 -0.682 -30.311 -1.485 1.00 35.13 H new ATOM 0 HB3 LEU A 7 -2.293 -29.777 -1.924 1.00 35.13 H new ATOM 0 HG LEU A 7 0.190 -28.702 -3.293 1.00 33.24 H new ATOM 0 HD11 LEU A 7 -0.248 -30.398 -5.110 1.00 41.14 H new ATOM 0 HD12 LEU A 7 0.160 -31.176 -3.562 1.00 41.14 H new ATOM 0 HD13 LEU A 7 -1.533 -31.111 -4.106 1.00 41.14 H new ATOM 0 HD21 LEU A 7 -1.331 -28.191 -5.187 1.00 63.32 H new ATOM 0 HD22 LEU A 7 -2.708 -28.780 -4.226 1.00 63.32 H new ATOM 0 HD23 LEU A 7 -1.801 -27.344 -3.695 1.00 63.32 H new ATOM 128 N ILE A 8 -3.440 -27.395 -0.743 1.00 55.11 N ATOM 129 CA ILE A 8 -4.517 -26.421 -0.920 1.00 74.54 C ATOM 130 C ILE A 8 -4.323 -25.179 -0.014 1.00 2.13 C ATOM 131 O ILE A 8 -4.536 -24.061 -0.469 1.00 5.24 O ATOM 132 CB ILE A 8 -5.892 -27.126 -0.648 1.00 22.04 C ATOM 133 CG1 ILE A 8 -6.141 -28.250 -1.713 1.00 73.13 C ATOM 134 CG2 ILE A 8 -7.062 -26.119 -0.612 1.00 21.21 C ATOM 135 CD1 ILE A 8 -7.299 -29.176 -1.402 1.00 25.13 C ATOM 0 H ILE A 8 -3.745 -28.263 -0.303 1.00 55.11 H new ATOM 0 HA ILE A 8 -4.500 -26.055 -1.946 1.00 74.54 H new ATOM 0 HB ILE A 8 -5.844 -27.584 0.340 1.00 22.04 H new ATOM 0 HG12 ILE A 8 -6.319 -27.781 -2.681 1.00 73.13 H new ATOM 0 HG13 ILE A 8 -5.234 -28.846 -1.810 1.00 73.13 H new ATOM 0 HG21 ILE A 8 -7.994 -26.651 -0.421 1.00 21.21 H new ATOM 0 HG22 ILE A 8 -6.891 -25.391 0.181 1.00 21.21 H new ATOM 0 HG23 ILE A 8 -7.128 -25.604 -1.570 1.00 21.21 H new ATOM 0 HD11 ILE A 8 -7.393 -29.919 -2.194 1.00 25.13 H new ATOM 0 HD12 ILE A 8 -7.118 -29.679 -0.452 1.00 25.13 H new ATOM 0 HD13 ILE A 8 -8.220 -28.597 -1.336 1.00 25.13 H new ATOM 147 N VAL A 9 -3.917 -25.389 1.255 1.00 2.51 N ATOM 148 CA VAL A 9 -3.627 -24.300 2.202 1.00 1.52 C ATOM 149 C VAL A 9 -2.430 -23.429 1.724 1.00 11.32 C ATOM 150 O VAL A 9 -2.513 -22.195 1.747 1.00 33.22 O ATOM 151 CB VAL A 9 -3.368 -24.876 3.649 1.00 73.33 C ATOM 152 CG1 VAL A 9 -2.880 -23.790 4.624 1.00 12.31 C ATOM 153 CG2 VAL A 9 -4.641 -25.564 4.200 1.00 40.25 C ATOM 0 H VAL A 9 -3.782 -26.320 1.649 1.00 2.51 H new ATOM 0 HA VAL A 9 -4.503 -23.652 2.243 1.00 1.52 H new ATOM 0 HB VAL A 9 -2.575 -25.618 3.563 1.00 73.33 H new ATOM 0 HG11 VAL A 9 -2.715 -24.231 5.607 1.00 12.31 H new ATOM 0 HG12 VAL A 9 -1.947 -23.363 4.256 1.00 12.31 H new ATOM 0 HG13 VAL A 9 -3.632 -23.005 4.701 1.00 12.31 H new ATOM 0 HG21 VAL A 9 -4.441 -25.954 5.198 1.00 40.25 H new ATOM 0 HG22 VAL A 9 -5.454 -24.839 4.250 1.00 40.25 H new ATOM 0 HG23 VAL A 9 -4.926 -26.384 3.541 1.00 40.25 H new ATOM 163 N VAL A 10 -1.335 -24.070 1.277 1.00 71.13 N ATOM 164 CA VAL A 10 -0.158 -23.352 0.756 1.00 44.50 C ATOM 165 C VAL A 10 -0.464 -22.662 -0.609 1.00 33.33 C ATOM 166 O VAL A 10 0.171 -21.662 -0.958 1.00 74.22 O ATOM 167 CB VAL A 10 1.091 -24.319 0.633 1.00 20.22 C ATOM 168 CG1 VAL A 10 1.060 -25.203 -0.639 1.00 24.01 C ATOM 169 CG2 VAL A 10 2.407 -23.531 0.747 1.00 31.01 C ATOM 0 H VAL A 10 -1.241 -25.086 1.266 1.00 71.13 H new ATOM 0 HA VAL A 10 0.089 -22.569 1.473 1.00 44.50 H new ATOM 0 HB VAL A 10 1.032 -25.012 1.473 1.00 20.22 H new ATOM 0 HG11 VAL A 10 1.944 -25.841 -0.661 1.00 24.01 H new ATOM 0 HG12 VAL A 10 0.164 -25.824 -0.629 1.00 24.01 H new ATOM 0 HG13 VAL A 10 1.050 -24.567 -1.524 1.00 24.01 H new ATOM 0 HG21 VAL A 10 3.250 -24.216 0.660 1.00 31.01 H new ATOM 0 HG22 VAL A 10 2.458 -22.790 -0.051 1.00 31.01 H new ATOM 0 HG23 VAL A 10 2.447 -23.028 1.713 1.00 31.01 H new ATOM 179 N ALA A 11 -1.443 -23.212 -1.374 1.00 73.23 N ATOM 180 CA ALA A 11 -1.864 -22.653 -2.678 1.00 21.32 C ATOM 181 C ALA A 11 -2.696 -21.363 -2.493 1.00 50.22 C ATOM 182 O ALA A 11 -2.347 -20.319 -3.042 1.00 22.42 O ATOM 183 CB ALA A 11 -2.650 -23.703 -3.489 1.00 70.12 C ATOM 0 H ALA A 11 -1.957 -24.050 -1.103 1.00 73.23 H new ATOM 0 HA ALA A 11 -0.966 -22.389 -3.237 1.00 21.32 H new ATOM 0 HB1 ALA A 11 -2.951 -23.274 -4.445 1.00 70.12 H new ATOM 0 HB2 ALA A 11 -2.019 -24.574 -3.665 1.00 70.12 H new ATOM 0 HB3 ALA A 11 -3.537 -24.005 -2.931 1.00 70.12 H new ATOM 189 N ILE A 12 -3.791 -21.448 -1.703 1.00 21.33 N ATOM 190 CA ILE A 12 -4.681 -20.300 -1.438 1.00 72.30 C ATOM 191 C ILE A 12 -3.901 -19.108 -0.822 1.00 60.44 C ATOM 192 O ILE A 12 -3.896 -18.021 -1.403 1.00 44.34 O ATOM 193 CB ILE A 12 -5.931 -20.704 -0.550 1.00 64.30 C ATOM 194 CG1 ILE A 12 -5.502 -21.340 0.817 1.00 70.01 C ATOM 195 CG2 ILE A 12 -6.871 -21.651 -1.337 1.00 32.14 C ATOM 196 CD1 ILE A 12 -6.630 -21.862 1.693 1.00 4.10 C ATOM 0 H ILE A 12 -4.079 -22.308 -1.236 1.00 21.33 H new ATOM 0 HA ILE A 12 -5.074 -19.973 -2.401 1.00 72.30 H new ATOM 0 HB ILE A 12 -6.477 -19.790 -0.315 1.00 64.30 H new ATOM 0 HG12 ILE A 12 -4.817 -22.163 0.613 1.00 70.01 H new ATOM 0 HG13 ILE A 12 -4.945 -20.594 1.383 1.00 70.01 H new ATOM 0 HG21 ILE A 12 -7.724 -21.918 -0.713 1.00 32.14 H new ATOM 0 HG22 ILE A 12 -7.224 -21.148 -2.237 1.00 32.14 H new ATOM 0 HG23 ILE A 12 -6.328 -22.554 -1.615 1.00 32.14 H new ATOM 0 HD11 ILE A 12 -6.215 -22.279 2.611 1.00 4.10 H new ATOM 0 HD12 ILE A 12 -7.307 -21.044 1.940 1.00 4.10 H new ATOM 0 HD13 ILE A 12 -7.177 -22.638 1.157 1.00 4.10 H new ATOM 208 N ILE A 13 -3.161 -19.358 0.279 1.00 34.33 N ATOM 209 CA ILE A 13 -2.371 -18.332 0.987 1.00 21.23 C ATOM 210 C ILE A 13 -1.200 -17.830 0.104 1.00 21.04 C ATOM 211 O ILE A 13 -0.835 -16.654 0.166 1.00 45.20 O ATOM 212 CB ILE A 13 -1.832 -18.919 2.356 1.00 24.55 C ATOM 213 CG1 ILE A 13 -3.027 -19.327 3.289 1.00 45.23 C ATOM 214 CG2 ILE A 13 -0.883 -17.937 3.081 1.00 71.12 C ATOM 215 CD1 ILE A 13 -2.627 -19.987 4.601 1.00 43.44 C ATOM 0 H ILE A 13 -3.095 -20.283 0.703 1.00 34.33 H new ATOM 0 HA ILE A 13 -3.015 -17.479 1.200 1.00 21.23 H new ATOM 0 HB ILE A 13 -1.250 -19.809 2.119 1.00 24.55 H new ATOM 0 HG12 ILE A 13 -3.613 -18.436 3.513 1.00 45.23 H new ATOM 0 HG13 ILE A 13 -3.679 -20.008 2.742 1.00 45.23 H new ATOM 0 HG21 ILE A 13 -0.540 -18.384 4.014 1.00 71.12 H new ATOM 0 HG22 ILE A 13 -0.025 -17.723 2.444 1.00 71.12 H new ATOM 0 HG23 ILE A 13 -1.414 -17.010 3.297 1.00 71.12 H new ATOM 0 HD11 ILE A 13 -3.522 -20.231 5.173 1.00 43.44 H new ATOM 0 HD12 ILE A 13 -2.069 -20.900 4.394 1.00 43.44 H new ATOM 0 HD13 ILE A 13 -2.003 -19.303 5.177 1.00 43.44 H new ATOM 227 N GLY A 14 -0.653 -18.741 -0.733 1.00 61.34 N ATOM 228 CA GLY A 14 0.416 -18.407 -1.682 1.00 2.10 C ATOM 229 C GLY A 14 0.015 -17.341 -2.711 1.00 43.51 C ATOM 230 O GLY A 14 0.794 -16.425 -2.995 1.00 74.44 O ATOM 0 H GLY A 14 -0.942 -19.719 -0.764 1.00 61.34 H new ATOM 0 HA2 GLY A 14 1.286 -18.055 -1.127 1.00 2.10 H new ATOM 0 HA3 GLY A 14 0.719 -19.312 -2.208 1.00 2.10 H new ATOM 234 N ILE A 15 -1.217 -17.449 -3.255 1.00 2.11 N ATOM 235 CA ILE A 15 -1.762 -16.459 -4.217 1.00 43.04 C ATOM 236 C ILE A 15 -2.195 -15.164 -3.475 1.00 62.54 C ATOM 237 O ILE A 15 -2.012 -14.059 -4.003 1.00 53.02 O ATOM 238 CB ILE A 15 -2.955 -17.071 -5.096 1.00 23.41 C ATOM 239 CG1 ILE A 15 -2.425 -17.981 -6.271 1.00 12.53 C ATOM 240 CG2 ILE A 15 -3.890 -15.977 -5.676 1.00 43.22 C ATOM 241 CD1 ILE A 15 -1.695 -19.249 -5.864 1.00 23.33 C ATOM 0 H ILE A 15 -1.857 -18.215 -3.045 1.00 2.11 H new ATOM 0 HA ILE A 15 -0.968 -16.198 -4.917 1.00 43.04 H new ATOM 0 HB ILE A 15 -3.532 -17.688 -4.407 1.00 23.41 H new ATOM 0 HG12 ILE A 15 -3.273 -18.260 -6.896 1.00 12.53 H new ATOM 0 HG13 ILE A 15 -1.755 -17.384 -6.890 1.00 12.53 H new ATOM 0 HG21 ILE A 15 -4.680 -16.447 -6.262 1.00 43.22 H new ATOM 0 HG22 ILE A 15 -4.334 -15.408 -4.859 1.00 43.22 H new ATOM 0 HG23 ILE A 15 -3.314 -15.307 -6.314 1.00 43.22 H new ATOM 0 HD11 ILE A 15 -1.379 -19.790 -6.756 1.00 23.33 H new ATOM 0 HD12 ILE A 15 -0.820 -18.990 -5.268 1.00 23.33 H new ATOM 0 HD13 ILE A 15 -2.361 -19.879 -5.275 1.00 23.33 H new ATOM 253 N LEU A 16 -2.716 -15.305 -2.230 1.00 31.34 N ATOM 254 CA LEU A 16 -3.095 -14.137 -1.387 1.00 44.41 C ATOM 255 C LEU A 16 -1.869 -13.265 -1.066 1.00 60.25 C ATOM 256 O LEU A 16 -1.963 -12.054 -1.055 1.00 73.55 O ATOM 257 CB LEU A 16 -3.772 -14.558 -0.052 1.00 42.42 C ATOM 258 CG LEU A 16 -5.044 -15.460 -0.142 1.00 61.15 C ATOM 259 CD1 LEU A 16 -5.792 -15.528 1.211 1.00 13.51 C ATOM 260 CD2 LEU A 16 -5.971 -15.047 -1.306 1.00 12.11 C ATOM 0 H LEU A 16 -2.883 -16.209 -1.788 1.00 31.34 H new ATOM 0 HA LEU A 16 -3.815 -13.566 -1.973 1.00 44.41 H new ATOM 0 HB2 LEU A 16 -3.030 -15.082 0.551 1.00 42.42 H new ATOM 0 HB3 LEU A 16 -4.040 -13.651 0.490 1.00 42.42 H new ATOM 0 HG LEU A 16 -4.704 -16.471 -0.367 1.00 61.15 H new ATOM 0 HD11 LEU A 16 -6.671 -16.164 1.109 1.00 13.51 H new ATOM 0 HD12 LEU A 16 -5.131 -15.942 1.972 1.00 13.51 H new ATOM 0 HD13 LEU A 16 -6.102 -14.526 1.506 1.00 13.51 H new ATOM 0 HD21 LEU A 16 -6.841 -15.703 -1.328 1.00 12.11 H new ATOM 0 HD22 LEU A 16 -6.296 -14.016 -1.164 1.00 12.11 H new ATOM 0 HD23 LEU A 16 -5.430 -15.130 -2.249 1.00 12.11 H new ATOM 272 N ALA A 17 -0.728 -13.917 -0.809 1.00 63.03 N ATOM 273 CA ALA A 17 0.555 -13.239 -0.535 1.00 71.43 C ATOM 274 C ALA A 17 1.157 -12.653 -1.830 1.00 63.23 C ATOM 275 O ALA A 17 1.680 -11.541 -1.841 1.00 63.11 O ATOM 276 CB ALA A 17 1.527 -14.223 0.123 1.00 11.52 C ATOM 0 H ALA A 17 -0.664 -14.935 -0.784 1.00 63.03 H new ATOM 0 HA ALA A 17 0.376 -12.409 0.149 1.00 71.43 H new ATOM 0 HB1 ALA A 17 2.473 -13.720 0.324 1.00 11.52 H new ATOM 0 HB2 ALA A 17 1.101 -14.584 1.059 1.00 11.52 H new ATOM 0 HB3 ALA A 17 1.699 -15.066 -0.546 1.00 11.52 H new ATOM 282 N ALA A 18 1.038 -13.419 -2.927 1.00 2.44 N ATOM 283 CA ALA A 18 1.528 -13.023 -4.269 1.00 74.30 C ATOM 284 C ALA A 18 0.828 -11.762 -4.817 1.00 23.54 C ATOM 285 O ALA A 18 1.382 -11.083 -5.681 1.00 31.24 O ATOM 286 CB ALA A 18 1.392 -14.191 -5.262 1.00 13.04 C ATOM 0 H ALA A 18 0.597 -14.338 -2.913 1.00 2.44 H new ATOM 0 HA ALA A 18 2.582 -12.771 -4.154 1.00 74.30 H new ATOM 0 HB1 ALA A 18 1.757 -13.881 -6.241 1.00 13.04 H new ATOM 0 HB2 ALA A 18 1.978 -15.039 -4.909 1.00 13.04 H new ATOM 0 HB3 ALA A 18 0.344 -14.482 -5.341 1.00 13.04 H new ATOM 292 N ILE A 19 -0.399 -11.468 -4.338 1.00 45.35 N ATOM 293 CA ILE A 19 -1.090 -10.194 -4.653 1.00 32.23 C ATOM 294 C ILE A 19 -0.900 -9.147 -3.537 1.00 13.34 C ATOM 295 O ILE A 19 -0.709 -7.980 -3.831 1.00 44.43 O ATOM 296 CB ILE A 19 -2.614 -10.410 -4.998 1.00 60.43 C ATOM 297 CG1 ILE A 19 -3.421 -11.106 -3.844 1.00 10.02 C ATOM 298 CG2 ILE A 19 -2.758 -11.182 -6.334 1.00 43.35 C ATOM 299 CD1 ILE A 19 -4.031 -10.155 -2.835 1.00 72.54 C ATOM 0 H ILE A 19 -0.933 -12.092 -3.733 1.00 45.35 H new ATOM 0 HA ILE A 19 -0.618 -9.797 -5.552 1.00 32.23 H new ATOM 0 HB ILE A 19 -3.056 -9.420 -5.110 1.00 60.43 H new ATOM 0 HG12 ILE A 19 -4.217 -11.705 -4.286 1.00 10.02 H new ATOM 0 HG13 ILE A 19 -2.758 -11.794 -3.320 1.00 10.02 H new ATOM 0 HG21 ILE A 19 -3.815 -11.324 -6.560 1.00 43.35 H new ATOM 0 HG22 ILE A 19 -2.289 -10.612 -7.136 1.00 43.35 H new ATOM 0 HG23 ILE A 19 -2.272 -12.154 -6.247 1.00 43.35 H new ATOM 0 HD11 ILE A 19 -4.568 -10.725 -2.077 1.00 72.54 H new ATOM 0 HD12 ILE A 19 -3.241 -9.573 -2.360 1.00 72.54 H new ATOM 0 HD13 ILE A 19 -4.723 -9.482 -3.341 1.00 72.54 H new ATOM 311 N ALA A 20 -0.904 -9.590 -2.267 1.00 43.42 N ATOM 312 CA ALA A 20 -0.883 -8.679 -1.084 1.00 73.14 C ATOM 313 C ALA A 20 0.439 -7.913 -0.944 1.00 65.35 C ATOM 314 O ALA A 20 0.435 -6.707 -0.753 1.00 34.33 O ATOM 315 CB ALA A 20 -1.192 -9.440 0.220 1.00 42.41 C ATOM 0 H ALA A 20 -0.922 -10.580 -2.022 1.00 43.42 H new ATOM 0 HA ALA A 20 -1.669 -7.945 -1.260 1.00 73.14 H new ATOM 0 HB1 ALA A 20 -1.168 -8.746 1.060 1.00 42.41 H new ATOM 0 HB2 ALA A 20 -2.181 -9.893 0.151 1.00 42.41 H new ATOM 0 HB3 ALA A 20 -0.446 -10.220 0.372 1.00 42.41 H new ATOM 321 N ILE A 21 1.558 -8.643 -1.038 1.00 71.41 N ATOM 322 CA ILE A 21 2.924 -8.084 -0.898 1.00 31.02 C ATOM 323 C ILE A 21 3.238 -6.967 -1.935 1.00 74.21 C ATOM 324 O ILE A 21 3.662 -5.902 -1.520 1.00 72.21 O ATOM 325 CB ILE A 21 4.005 -9.234 -0.929 1.00 63.11 C ATOM 326 CG1 ILE A 21 3.874 -10.127 0.353 1.00 60.44 C ATOM 327 CG2 ILE A 21 5.445 -8.677 -1.101 1.00 64.32 C ATOM 328 CD1 ILE A 21 4.343 -11.562 0.174 1.00 13.44 C ATOM 0 H ILE A 21 1.549 -9.648 -1.215 1.00 71.41 H new ATOM 0 HA ILE A 21 2.968 -7.599 0.077 1.00 31.02 H new ATOM 0 HB ILE A 21 3.814 -9.857 -1.803 1.00 63.11 H new ATOM 0 HG12 ILE A 21 4.447 -9.669 1.159 1.00 60.44 H new ATOM 0 HG13 ILE A 21 2.831 -10.136 0.669 1.00 60.44 H new ATOM 0 HG21 ILE A 21 6.155 -9.504 -1.117 1.00 64.32 H new ATOM 0 HG22 ILE A 21 5.511 -8.123 -2.038 1.00 64.32 H new ATOM 0 HG23 ILE A 21 5.680 -8.013 -0.269 1.00 64.32 H new ATOM 0 HD11 ILE A 21 4.216 -12.106 1.110 1.00 13.44 H new ATOM 0 HD12 ILE A 21 3.754 -12.042 -0.607 1.00 13.44 H new ATOM 0 HD13 ILE A 21 5.396 -11.568 -0.109 1.00 13.44 H new ATOM 340 N PRO A 22 3.055 -7.160 -3.287 1.00 15.01 N ATOM 341 CA PRO A 22 3.232 -6.053 -4.265 1.00 35.43 C ATOM 342 C PRO A 22 2.166 -4.942 -4.124 1.00 0.30 C ATOM 343 O PRO A 22 2.476 -3.770 -4.288 1.00 42.41 O ATOM 344 CB PRO A 22 3.100 -6.748 -5.635 1.00 25.31 C ATOM 345 CG PRO A 22 2.293 -7.974 -5.357 1.00 54.44 C ATOM 346 CD PRO A 22 2.712 -8.434 -3.982 1.00 31.35 C ATOM 0 HA PRO A 22 4.185 -5.545 -4.116 1.00 35.43 H new ATOM 0 HB2 PRO A 22 2.605 -6.103 -6.361 1.00 25.31 H new ATOM 0 HB3 PRO A 22 4.077 -7.001 -6.047 1.00 25.31 H new ATOM 0 HG2 PRO A 22 1.226 -7.756 -5.389 1.00 54.44 H new ATOM 0 HG3 PRO A 22 2.483 -8.746 -6.103 1.00 54.44 H new ATOM 0 HD2 PRO A 22 1.909 -8.967 -3.473 1.00 31.35 H new ATOM 0 HD3 PRO A 22 3.565 -9.111 -4.026 1.00 31.35 H new ATOM 354 N GLN A 23 0.914 -5.332 -3.815 1.00 64.32 N ATOM 355 CA GLN A 23 -0.225 -4.377 -3.698 1.00 30.32 C ATOM 356 C GLN A 23 -0.019 -3.434 -2.493 1.00 32.11 C ATOM 357 O GLN A 23 -0.399 -2.262 -2.532 1.00 41.31 O ATOM 358 CB GLN A 23 -1.571 -5.144 -3.562 1.00 45.05 C ATOM 359 CG GLN A 23 -2.826 -4.259 -3.416 1.00 32.10 C ATOM 360 CD GLN A 23 -4.118 -5.070 -3.241 1.00 32.52 C ATOM 361 OE1 GLN A 23 -4.789 -5.414 -4.206 1.00 10.00 O ATOM 362 NE2 GLN A 23 -4.469 -5.385 -2.007 1.00 15.43 N ATOM 0 H GLN A 23 0.657 -6.303 -3.640 1.00 64.32 H new ATOM 0 HA GLN A 23 -0.262 -3.775 -4.606 1.00 30.32 H new ATOM 0 HB2 GLN A 23 -1.696 -5.781 -4.437 1.00 45.05 H new ATOM 0 HB3 GLN A 23 -1.509 -5.802 -2.695 1.00 45.05 H new ATOM 0 HG2 GLN A 23 -2.700 -3.599 -2.558 1.00 32.10 H new ATOM 0 HG3 GLN A 23 -2.920 -3.623 -4.297 1.00 32.10 H new ATOM 0 HE21 GLN A 23 -3.892 -5.086 -1.221 1.00 15.43 H new ATOM 0 HE22 GLN A 23 -5.317 -5.927 -1.841 1.00 15.43 H new ATOM 371 N PHE A 24 0.628 -3.969 -1.450 1.00 42.42 N ATOM 372 CA PHE A 24 0.897 -3.237 -0.184 1.00 62.30 C ATOM 373 C PHE A 24 2.250 -2.494 -0.239 1.00 4.23 C ATOM 374 O PHE A 24 2.370 -1.388 0.285 1.00 63.11 O ATOM 375 CB PHE A 24 0.863 -4.194 1.033 1.00 23.11 C ATOM 376 CG PHE A 24 1.100 -3.506 2.386 1.00 50.12 C ATOM 377 CD1 PHE A 24 0.106 -2.711 2.962 1.00 11.41 C ATOM 378 CD2 PHE A 24 2.313 -3.643 3.069 1.00 13.43 C ATOM 379 CE1 PHE A 24 0.319 -2.074 4.171 1.00 54.22 C ATOM 380 CE2 PHE A 24 2.523 -3.007 4.278 1.00 3.30 C ATOM 381 CZ PHE A 24 1.525 -2.225 4.832 1.00 62.43 C ATOM 0 H PHE A 24 0.985 -4.924 -1.450 1.00 42.42 H new ATOM 0 HA PHE A 24 0.105 -2.497 -0.065 1.00 62.30 H new ATOM 0 HB2 PHE A 24 -0.104 -4.696 1.059 1.00 23.11 H new ATOM 0 HB3 PHE A 24 1.619 -4.966 0.894 1.00 23.11 H new ATOM 0 HD1 PHE A 24 -0.841 -2.592 2.457 1.00 11.41 H new ATOM 0 HD2 PHE A 24 3.096 -4.254 2.646 1.00 13.43 H new ATOM 0 HE1 PHE A 24 -0.457 -1.458 4.600 1.00 54.22 H new ATOM 0 HE2 PHE A 24 3.467 -3.121 4.791 1.00 3.30 H new ATOM 0 HZ PHE A 24 1.687 -1.733 5.780 1.00 62.43 H new ATOM 391 N SER A 25 3.270 -3.143 -0.829 1.00 31.30 N ATOM 392 CA SER A 25 4.585 -2.502 -1.101 1.00 34.10 C ATOM 393 C SER A 25 4.410 -1.235 -1.967 1.00 42.04 C ATOM 394 O SER A 25 4.807 -0.148 -1.565 1.00 42.30 O ATOM 395 CB SER A 25 5.559 -3.487 -1.787 1.00 55.30 C ATOM 396 OG SER A 25 6.840 -2.903 -1.989 1.00 45.54 O ATOM 0 H SER A 25 3.215 -4.116 -1.131 1.00 31.30 H new ATOM 0 HA SER A 25 5.014 -2.213 -0.141 1.00 34.10 H new ATOM 0 HB2 SER A 25 5.660 -4.384 -1.176 1.00 55.30 H new ATOM 0 HB3 SER A 25 5.146 -3.799 -2.746 1.00 55.30 H new ATOM 0 HG SER A 25 7.431 -3.553 -2.423 1.00 45.54 H new ATOM 402 N ALA A 26 3.761 -1.396 -3.131 1.00 64.53 N ATOM 403 CA ALA A 26 3.417 -0.269 -4.038 1.00 74.53 C ATOM 404 C ALA A 26 2.462 0.759 -3.375 1.00 41.24 C ATOM 405 O ALA A 26 2.474 1.935 -3.746 1.00 3.34 O ATOM 406 CB ALA A 26 2.802 -0.806 -5.341 1.00 72.04 C ATOM 0 H ALA A 26 3.457 -2.306 -3.477 1.00 64.53 H new ATOM 0 HA ALA A 26 4.345 0.257 -4.263 1.00 74.53 H new ATOM 0 HB1 ALA A 26 2.554 0.028 -5.997 1.00 72.04 H new ATOM 0 HB2 ALA A 26 3.518 -1.459 -5.839 1.00 72.04 H new ATOM 0 HB3 ALA A 26 1.897 -1.368 -5.111 1.00 72.04 H new ATOM 412 N TYR A 27 1.656 0.305 -2.388 1.00 10.24 N ATOM 413 CA TYR A 27 0.718 1.176 -1.645 1.00 32.21 C ATOM 414 C TYR A 27 1.474 2.135 -0.713 1.00 34.30 C ATOM 415 O TYR A 27 1.248 3.337 -0.738 1.00 0.43 O ATOM 416 CB TYR A 27 -0.253 0.320 -0.812 1.00 51.20 C ATOM 417 CG TYR A 27 -1.175 1.115 0.132 1.00 25.43 C ATOM 418 CD1 TYR A 27 -2.154 1.979 -0.371 1.00 10.42 C ATOM 419 CD2 TYR A 27 -1.052 1.015 1.525 1.00 72.43 C ATOM 420 CE1 TYR A 27 -2.961 2.715 0.474 1.00 61.42 C ATOM 421 CE2 TYR A 27 -1.854 1.755 2.367 1.00 14.10 C ATOM 422 CZ TYR A 27 -2.811 2.596 1.842 1.00 23.01 C ATOM 423 OH TYR A 27 -3.605 3.340 2.691 1.00 55.02 O ATOM 0 H TYR A 27 1.638 -0.669 -2.086 1.00 10.24 H new ATOM 0 HA TYR A 27 0.159 1.763 -2.374 1.00 32.21 H new ATOM 0 HB2 TYR A 27 -0.872 -0.266 -1.492 1.00 51.20 H new ATOM 0 HB3 TYR A 27 0.327 -0.387 -0.219 1.00 51.20 H new ATOM 0 HD1 TYR A 27 -2.281 2.072 -1.439 1.00 10.42 H new ATOM 0 HD2 TYR A 27 -0.316 0.346 1.946 1.00 72.43 H new ATOM 0 HE1 TYR A 27 -3.707 3.381 0.067 1.00 61.42 H new ATOM 0 HE2 TYR A 27 -1.732 1.676 3.437 1.00 14.10 H new ATOM 0 HH TYR A 27 -3.371 3.136 3.621 1.00 55.02 H new ATOM 433 N ARG A 28 2.367 1.570 0.111 1.00 34.34 N ATOM 434 CA ARG A 28 3.145 2.334 1.105 1.00 74.32 C ATOM 435 C ARG A 28 4.197 3.227 0.419 1.00 20.01 C ATOM 436 O ARG A 28 4.642 4.232 0.987 1.00 2.22 O ATOM 437 CB ARG A 28 3.792 1.354 2.123 1.00 64.34 C ATOM 438 CG ARG A 28 4.895 0.441 1.550 1.00 20.10 C ATOM 439 CD ARG A 28 5.474 -0.527 2.596 1.00 1.14 C ATOM 440 NE ARG A 28 6.099 0.195 3.722 1.00 33.31 N ATOM 441 CZ ARG A 28 5.919 -0.064 5.000 1.00 23.12 C ATOM 442 NH1 ARG A 28 5.117 -1.000 5.397 1.00 50.31 N ATOM 443 NH2 ARG A 28 6.545 0.646 5.878 1.00 71.22 N ATOM 0 H ARG A 28 2.573 0.571 0.110 1.00 34.34 H new ATOM 0 HA ARG A 28 2.475 3.001 1.648 1.00 74.32 H new ATOM 0 HB2 ARG A 28 4.214 1.935 2.943 1.00 64.34 H new ATOM 0 HB3 ARG A 28 3.008 0.727 2.547 1.00 64.34 H new ATOM 0 HG2 ARG A 28 4.488 -0.133 0.717 1.00 20.10 H new ATOM 0 HG3 ARG A 28 5.699 1.058 1.149 1.00 20.10 H new ATOM 0 HD2 ARG A 28 4.681 -1.172 2.973 1.00 1.14 H new ATOM 0 HD3 ARG A 28 6.213 -1.174 2.123 1.00 1.14 H new ATOM 0 HE ARG A 28 6.727 0.964 3.489 1.00 33.31 H new ATOM 0 HH11 ARG A 28 4.606 -1.558 4.713 1.00 50.31 H new ATOM 0 HH12 ARG A 28 4.996 -1.179 6.394 1.00 50.31 H new ATOM 0 HH21 ARG A 28 7.168 1.395 5.578 1.00 71.22 H new ATOM 0 HH22 ARG A 28 6.416 0.458 6.872 1.00 71.22 H new ATOM 457 N VAL A 29 4.556 2.865 -0.826 1.00 32.41 N ATOM 458 CA VAL A 29 5.435 3.700 -1.672 1.00 14.51 C ATOM 459 C VAL A 29 4.655 4.923 -2.191 1.00 64.24 C ATOM 460 O VAL A 29 5.075 6.061 -1.986 1.00 13.11 O ATOM 461 CB VAL A 29 6.071 2.871 -2.858 1.00 54.02 C ATOM 462 CG1 VAL A 29 6.759 3.777 -3.913 1.00 14.42 C ATOM 463 CG2 VAL A 29 7.071 1.826 -2.308 1.00 21.00 C ATOM 0 H VAL A 29 4.252 1.999 -1.271 1.00 32.41 H new ATOM 0 HA VAL A 29 6.266 4.051 -1.060 1.00 14.51 H new ATOM 0 HB VAL A 29 5.254 2.356 -3.364 1.00 54.02 H new ATOM 0 HG11 VAL A 29 7.179 3.158 -4.706 1.00 14.42 H new ATOM 0 HG12 VAL A 29 6.026 4.462 -4.338 1.00 14.42 H new ATOM 0 HG13 VAL A 29 7.556 4.348 -3.438 1.00 14.42 H new ATOM 0 HG21 VAL A 29 7.501 1.263 -3.136 1.00 21.00 H new ATOM 0 HG22 VAL A 29 7.866 2.335 -1.764 1.00 21.00 H new ATOM 0 HG23 VAL A 29 6.551 1.143 -1.636 1.00 21.00 H new ATOM 473 N LYS A 30 3.488 4.675 -2.812 1.00 5.44 N ATOM 474 CA LYS A 30 2.616 5.755 -3.350 1.00 11.33 C ATOM 475 C LYS A 30 1.944 6.564 -2.205 1.00 74.43 C ATOM 476 O LYS A 30 1.418 7.641 -2.444 1.00 73.31 O ATOM 477 CB LYS A 30 1.529 5.186 -4.307 1.00 72.02 C ATOM 478 CG LYS A 30 0.360 4.475 -3.596 1.00 32.44 C ATOM 479 CD LYS A 30 -0.682 3.876 -4.563 1.00 21.20 C ATOM 480 CE LYS A 30 -1.393 4.945 -5.408 1.00 33.12 C ATOM 481 NZ LYS A 30 -2.442 4.358 -6.281 1.00 44.21 N ATOM 0 H LYS A 30 3.119 3.735 -2.958 1.00 5.44 H new ATOM 0 HA LYS A 30 3.258 6.427 -3.919 1.00 11.33 H new ATOM 0 HB2 LYS A 30 1.129 6.002 -4.909 1.00 72.02 H new ATOM 0 HB3 LYS A 30 2.000 4.484 -4.995 1.00 72.02 H new ATOM 0 HG2 LYS A 30 0.759 3.679 -2.967 1.00 32.44 H new ATOM 0 HG3 LYS A 30 -0.137 5.185 -2.935 1.00 32.44 H new ATOM 0 HD2 LYS A 30 -0.189 3.164 -5.225 1.00 21.20 H new ATOM 0 HD3 LYS A 30 -1.424 3.319 -3.991 1.00 21.20 H new ATOM 0 HE2 LYS A 30 -1.843 5.687 -4.749 1.00 33.12 H new ATOM 0 HE3 LYS A 30 -0.660 5.467 -6.023 1.00 33.12 H new ATOM 0 HZ1 LYS A 30 -2.896 5.113 -6.833 1.00 44.21 H new ATOM 0 HZ2 LYS A 30 -2.009 3.668 -6.928 1.00 44.21 H new ATOM 0 HZ3 LYS A 30 -3.156 3.881 -5.694 1.00 44.21 H new ATOM 495 N ALA A 31 1.945 6.027 -0.970 1.00 45.01 N ATOM 496 CA ALA A 31 1.472 6.771 0.220 1.00 24.31 C ATOM 497 C ALA A 31 2.545 7.790 0.658 1.00 1.31 C ATOM 498 O ALA A 31 2.239 8.914 1.071 1.00 53.21 O ATOM 499 CB ALA A 31 1.136 5.799 1.363 1.00 64.01 C ATOM 0 H ALA A 31 2.268 5.081 -0.767 1.00 45.01 H new ATOM 0 HA ALA A 31 0.562 7.313 -0.036 1.00 24.31 H new ATOM 0 HB1 ALA A 31 0.790 6.362 2.230 1.00 64.01 H new ATOM 0 HB2 ALA A 31 0.353 5.114 1.039 1.00 64.01 H new ATOM 0 HB3 ALA A 31 2.027 5.231 1.631 1.00 64.01 H new ATOM 505 N TYR A 32 3.812 7.379 0.515 1.00 74.31 N ATOM 506 CA TYR A 32 4.986 8.202 0.881 1.00 42.40 C ATOM 507 C TYR A 32 5.373 9.183 -0.244 1.00 53.43 C ATOM 508 O TYR A 32 6.093 10.163 -0.024 1.00 5.05 O ATOM 509 CB TYR A 32 6.165 7.267 1.229 1.00 50.03 C ATOM 510 CG TYR A 32 7.323 7.969 1.960 1.00 73.23 C ATOM 511 CD1 TYR A 32 7.165 8.418 3.276 1.00 23.22 C ATOM 512 CD2 TYR A 32 8.552 8.204 1.337 1.00 23.14 C ATOM 513 CE1 TYR A 32 8.188 9.065 3.938 1.00 52.43 C ATOM 514 CE2 TYR A 32 9.574 8.854 1.998 1.00 41.45 C ATOM 515 CZ TYR A 32 9.389 9.279 3.296 1.00 1.52 C ATOM 516 OH TYR A 32 10.408 9.926 3.960 1.00 42.30 O ATOM 0 H TYR A 32 4.059 6.463 0.141 1.00 74.31 H new ATOM 0 HA TYR A 32 4.731 8.809 1.750 1.00 42.40 H new ATOM 0 HB2 TYR A 32 5.797 6.451 1.851 1.00 50.03 H new ATOM 0 HB3 TYR A 32 6.546 6.821 0.310 1.00 50.03 H new ATOM 0 HD1 TYR A 32 6.225 8.255 3.783 1.00 23.22 H new ATOM 0 HD2 TYR A 32 8.704 7.871 0.321 1.00 23.14 H new ATOM 0 HE1 TYR A 32 8.049 9.402 4.954 1.00 52.43 H new ATOM 0 HE2 TYR A 32 10.516 9.029 1.500 1.00 41.45 H new ATOM 0 HH TYR A 32 11.188 9.998 3.371 1.00 42.30 H new ATOM 526 N ASN A 33 4.900 8.888 -1.449 1.00 75.20 N ATOM 527 CA ASN A 33 5.092 9.752 -2.627 1.00 24.20 C ATOM 528 C ASN A 33 3.915 10.723 -2.797 1.00 71.40 C ATOM 529 O ASN A 33 4.099 11.939 -2.808 1.00 1.12 O ATOM 530 CB ASN A 33 5.269 8.891 -3.907 1.00 71.33 C ATOM 531 CG ASN A 33 6.611 8.134 -4.009 1.00 23.31 C ATOM 532 OD1 ASN A 33 7.168 7.695 -2.902 1.00 42.41 O flip ATOM 533 ND2 ASN A 33 7.123 7.918 -5.098 1.00 61.04 N flip ATOM 0 H ASN A 33 4.368 8.040 -1.646 1.00 75.20 H new ATOM 0 HA ASN A 33 5.997 10.339 -2.470 1.00 24.20 H new ATOM 0 HB2 ASN A 33 4.457 8.166 -3.953 1.00 71.33 H new ATOM 0 HB3 ASN A 33 5.168 9.538 -4.778 1.00 71.33 H new ATOM 0 HD21 ASN A 33 6.679 8.265 -5.948 1.00 61.04 H new ATOM 0 HD22 ASN A 33 7.994 7.391 -5.156 1.00 61.04 H new ATOM 540 N SER A 34 2.699 10.169 -2.893 1.00 33.25 N ATOM 541 CA SER A 34 1.488 10.947 -3.303 1.00 22.33 C ATOM 542 C SER A 34 0.790 11.585 -2.093 1.00 30.44 C ATOM 543 O SER A 34 0.533 12.789 -2.088 1.00 11.43 O ATOM 544 CB SER A 34 0.491 10.054 -4.080 1.00 60.54 C ATOM 545 OG SER A 34 -0.657 10.779 -4.488 1.00 64.05 O ATOM 0 H SER A 34 2.512 9.186 -2.695 1.00 33.25 H new ATOM 0 HA SER A 34 1.828 11.747 -3.960 1.00 22.33 H new ATOM 0 HB2 SER A 34 0.986 9.634 -4.956 1.00 60.54 H new ATOM 0 HB3 SER A 34 0.188 9.216 -3.452 1.00 60.54 H new ATOM 0 HG SER A 34 -1.263 10.184 -4.977 1.00 64.05 H new ATOM 551 N ALA A 35 0.497 10.767 -1.060 1.00 53.23 N ATOM 552 CA ALA A 35 -0.212 11.236 0.157 1.00 42.15 C ATOM 553 C ALA A 35 0.685 12.138 1.038 1.00 54.44 C ATOM 554 O ALA A 35 0.175 12.961 1.805 1.00 64.43 O ATOM 555 CB ALA A 35 -0.750 10.049 0.972 1.00 22.34 C ATOM 0 H ALA A 35 0.740 9.776 -1.041 1.00 53.23 H new ATOM 0 HA ALA A 35 -1.056 11.839 -0.177 1.00 42.15 H new ATOM 0 HB1 ALA A 35 -1.265 10.420 1.858 1.00 22.34 H new ATOM 0 HB2 ALA A 35 -1.446 9.474 0.361 1.00 22.34 H new ATOM 0 HB3 ALA A 35 0.079 9.410 1.275 1.00 22.34 H new ATOM 561 N ALA A 36 2.021 11.974 0.924 1.00 54.45 N ATOM 562 CA ALA A 36 2.992 12.854 1.614 1.00 4.55 C ATOM 563 C ALA A 36 3.163 14.190 0.850 1.00 71.04 C ATOM 564 O ALA A 36 3.301 15.250 1.470 1.00 11.02 O ATOM 565 CB ALA A 36 4.334 12.137 1.781 1.00 63.45 C ATOM 0 H ALA A 36 2.452 11.241 0.361 1.00 54.45 H new ATOM 0 HA ALA A 36 2.605 13.087 2.606 1.00 4.55 H new ATOM 0 HB1 ALA A 36 5.038 12.796 2.290 1.00 63.45 H new ATOM 0 HB2 ALA A 36 4.192 11.232 2.372 1.00 63.45 H new ATOM 0 HB3 ALA A 36 4.729 11.872 0.800 1.00 63.45 H new ATOM 571 N SER A 37 3.139 14.120 -0.505 1.00 70.55 N ATOM 572 CA SER A 37 3.143 15.328 -1.384 1.00 50.25 C ATOM 573 C SER A 37 1.898 16.206 -1.144 1.00 75.15 C ATOM 574 O SER A 37 2.007 17.427 -1.046 1.00 72.34 O ATOM 575 CB SER A 37 3.199 14.930 -2.880 1.00 11.32 C ATOM 576 OG SER A 37 3.115 16.064 -3.734 1.00 35.24 O ATOM 0 H SER A 37 3.117 13.239 -1.018 1.00 70.55 H new ATOM 0 HA SER A 37 4.035 15.900 -1.128 1.00 50.25 H new ATOM 0 HB2 SER A 37 4.127 14.394 -3.079 1.00 11.32 H new ATOM 0 HB3 SER A 37 2.381 14.245 -3.104 1.00 11.32 H new ATOM 0 HG SER A 37 3.155 15.773 -4.669 1.00 35.24 H new ATOM 582 N SER A 38 0.726 15.554 -1.028 1.00 41.53 N ATOM 583 CA SER A 38 -0.582 16.223 -0.840 1.00 33.13 C ATOM 584 C SER A 38 -0.755 16.730 0.591 1.00 24.23 C ATOM 585 O SER A 38 -1.498 17.680 0.819 1.00 51.13 O ATOM 586 CB SER A 38 -1.735 15.264 -1.201 1.00 54.15 C ATOM 587 OG SER A 38 -1.708 14.110 -0.384 1.00 4.32 O ATOM 0 H SER A 38 0.656 14.537 -1.062 1.00 41.53 H new ATOM 0 HA SER A 38 -0.608 17.084 -1.508 1.00 33.13 H new ATOM 0 HB2 SER A 38 -2.690 15.776 -1.082 1.00 54.15 H new ATOM 0 HB3 SER A 38 -1.657 14.974 -2.249 1.00 54.15 H new ATOM 0 HG SER A 38 -0.889 14.109 0.153 1.00 4.32 H new ATOM 593 N ASP A 39 -0.087 16.068 1.548 1.00 1.14 N ATOM 594 CA ASP A 39 0.029 16.579 2.928 1.00 5.13 C ATOM 595 C ASP A 39 0.803 17.925 2.952 1.00 64.35 C ATOM 596 O ASP A 39 0.359 18.894 3.565 1.00 1.32 O ATOM 597 CB ASP A 39 0.746 15.546 3.816 1.00 30.11 C ATOM 598 CG ASP A 39 0.651 15.883 5.311 1.00 14.14 C ATOM 599 OD1 ASP A 39 -0.355 15.504 5.942 1.00 62.13 O ATOM 600 OD2 ASP A 39 1.546 16.565 5.847 1.00 63.21 O ATOM 0 H ASP A 39 0.383 15.176 1.394 1.00 1.14 H new ATOM 0 HA ASP A 39 -0.975 16.750 3.316 1.00 5.13 H new ATOM 0 HB2 ASP A 39 0.314 14.561 3.642 1.00 30.11 H new ATOM 0 HB3 ASP A 39 1.795 15.490 3.526 1.00 30.11 H new ATOM 605 N LEU A 40 1.959 17.956 2.256 1.00 13.44 N ATOM 606 CA LEU A 40 2.817 19.163 2.159 1.00 64.33 C ATOM 607 C LEU A 40 2.159 20.248 1.279 1.00 4.15 C ATOM 608 O LEU A 40 2.418 21.439 1.454 1.00 14.00 O ATOM 609 CB LEU A 40 4.215 18.787 1.599 1.00 64.44 C ATOM 610 CG LEU A 40 5.073 17.832 2.499 1.00 11.42 C ATOM 611 CD1 LEU A 40 6.397 17.432 1.801 1.00 31.03 C ATOM 612 CD2 LEU A 40 5.339 18.460 3.894 1.00 1.22 C ATOM 0 H LEU A 40 2.325 17.151 1.747 1.00 13.44 H new ATOM 0 HA LEU A 40 2.937 19.572 3.162 1.00 64.33 H new ATOM 0 HB2 LEU A 40 4.081 18.316 0.625 1.00 64.44 H new ATOM 0 HB3 LEU A 40 4.779 19.705 1.434 1.00 64.44 H new ATOM 0 HG LEU A 40 4.495 16.920 2.651 1.00 11.42 H new ATOM 0 HD11 LEU A 40 6.967 16.770 2.453 1.00 31.03 H new ATOM 0 HD12 LEU A 40 6.174 16.917 0.866 1.00 31.03 H new ATOM 0 HD13 LEU A 40 6.983 18.327 1.592 1.00 31.03 H new ATOM 0 HD21 LEU A 40 5.936 17.774 4.494 1.00 1.22 H new ATOM 0 HD22 LEU A 40 5.878 19.400 3.773 1.00 1.22 H new ATOM 0 HD23 LEU A 40 4.390 18.648 4.395 1.00 1.22 H new ATOM 624 N ARG A 41 1.307 19.802 0.339 1.00 25.15 N ATOM 625 CA ARG A 41 0.502 20.681 -0.521 1.00 44.11 C ATOM 626 C ARG A 41 -0.635 21.335 0.301 1.00 2.23 C ATOM 627 O ARG A 41 -0.972 22.496 0.088 1.00 50.14 O ATOM 628 CB ARG A 41 -0.081 19.860 -1.703 1.00 1.10 C ATOM 629 CG ARG A 41 -0.923 20.669 -2.705 1.00 32.21 C ATOM 630 CD ARG A 41 -0.104 21.737 -3.453 1.00 0.32 C ATOM 631 NE ARG A 41 -0.955 22.588 -4.293 1.00 21.24 N ATOM 632 CZ ARG A 41 -0.523 23.545 -5.078 1.00 64.11 C ATOM 633 NH1 ARG A 41 0.736 23.790 -5.212 1.00 41.42 N ATOM 634 NH2 ARG A 41 -1.369 24.237 -5.756 1.00 61.31 N ATOM 0 H ARG A 41 1.158 18.810 0.155 1.00 25.15 H new ATOM 0 HA ARG A 41 1.135 21.474 -0.920 1.00 44.11 H new ATOM 0 HB2 ARG A 41 0.743 19.390 -2.240 1.00 1.10 H new ATOM 0 HB3 ARG A 41 -0.697 19.057 -1.299 1.00 1.10 H new ATOM 0 HG2 ARG A 41 -1.370 19.988 -3.429 1.00 32.21 H new ATOM 0 HG3 ARG A 41 -1.743 21.153 -2.175 1.00 32.21 H new ATOM 0 HD2 ARG A 41 0.430 22.356 -2.732 1.00 0.32 H new ATOM 0 HD3 ARG A 41 0.648 21.250 -4.074 1.00 0.32 H new ATOM 0 HE ARG A 41 -1.961 22.422 -4.264 1.00 21.24 H new ATOM 0 HH11 ARG A 41 1.421 23.233 -4.701 1.00 41.42 H new ATOM 0 HH12 ARG A 41 1.047 24.540 -5.829 1.00 41.42 H new ATOM 0 HH21 ARG A 41 -2.367 24.039 -5.680 1.00 61.31 H new ATOM 0 HH22 ARG A 41 -1.042 24.984 -6.369 1.00 61.31 H new ATOM 648 N ASN A 42 -1.210 20.551 1.228 1.00 44.42 N ATOM 649 CA ASN A 42 -2.230 21.017 2.196 1.00 15.34 C ATOM 650 C ASN A 42 -1.608 22.051 3.184 1.00 23.33 C ATOM 651 O ASN A 42 -2.241 23.060 3.529 1.00 55.35 O ATOM 652 CB ASN A 42 -2.820 19.781 2.942 1.00 43.11 C ATOM 653 CG ASN A 42 -4.070 20.058 3.806 1.00 11.24 C ATOM 654 OD1 ASN A 42 -4.236 21.121 4.392 1.00 50.52 O ATOM 655 ND2 ASN A 42 -4.961 19.090 3.897 1.00 23.23 N ATOM 0 H ASN A 42 -0.980 19.563 1.332 1.00 44.42 H new ATOM 0 HA ASN A 42 -3.040 21.524 1.672 1.00 15.34 H new ATOM 0 HB2 ASN A 42 -3.072 19.020 2.204 1.00 43.11 H new ATOM 0 HB3 ASN A 42 -2.044 19.360 3.582 1.00 43.11 H new ATOM 0 HD21 ASN A 42 -5.801 19.221 4.461 1.00 23.23 H new ATOM 0 HD22 ASN A 42 -4.810 18.210 3.404 1.00 23.23 H new ATOM 662 N LEU A 43 -0.353 21.798 3.597 1.00 10.54 N ATOM 663 CA LEU A 43 0.416 22.720 4.465 1.00 42.30 C ATOM 664 C LEU A 43 0.798 24.009 3.702 1.00 52.22 C ATOM 665 O LEU A 43 0.848 25.099 4.291 1.00 65.01 O ATOM 666 CB LEU A 43 1.686 22.009 5.001 1.00 62.41 C ATOM 667 CG LEU A 43 1.437 20.784 5.940 1.00 44.22 C ATOM 668 CD1 LEU A 43 2.760 20.069 6.300 1.00 24.23 C ATOM 669 CD2 LEU A 43 0.651 21.193 7.211 1.00 3.23 C ATOM 0 H LEU A 43 0.159 20.953 3.342 1.00 10.54 H new ATOM 0 HA LEU A 43 -0.213 23.004 5.309 1.00 42.30 H new ATOM 0 HB2 LEU A 43 2.279 21.675 4.149 1.00 62.41 H new ATOM 0 HB3 LEU A 43 2.288 22.740 5.541 1.00 62.41 H new ATOM 0 HG LEU A 43 0.820 20.073 5.390 1.00 44.22 H new ATOM 0 HD11 LEU A 43 2.550 19.223 6.954 1.00 24.23 H new ATOM 0 HD12 LEU A 43 3.241 19.713 5.389 1.00 24.23 H new ATOM 0 HD13 LEU A 43 3.423 20.767 6.812 1.00 24.23 H new ATOM 0 HD21 LEU A 43 0.496 20.317 7.841 1.00 3.23 H new ATOM 0 HD22 LEU A 43 1.218 21.942 7.764 1.00 3.23 H new ATOM 0 HD23 LEU A 43 -0.315 21.609 6.924 1.00 3.23 H new ATOM 681 N LYS A 44 1.040 23.868 2.383 1.00 21.12 N ATOM 682 CA LYS A 44 1.414 24.998 1.513 1.00 65.33 C ATOM 683 C LYS A 44 0.194 25.895 1.240 1.00 2.31 C ATOM 684 O LYS A 44 0.288 27.103 1.354 1.00 34.24 O ATOM 685 CB LYS A 44 2.006 24.498 0.167 1.00 23.13 C ATOM 686 CG LYS A 44 2.264 25.629 -0.864 1.00 12.41 C ATOM 687 CD LYS A 44 2.809 25.133 -2.219 1.00 23.44 C ATOM 688 CE LYS A 44 2.957 26.283 -3.235 1.00 62.31 C ATOM 689 NZ LYS A 44 3.786 27.402 -2.704 1.00 54.53 N ATOM 0 H LYS A 44 0.982 22.974 1.895 1.00 21.12 H new ATOM 0 HA LYS A 44 2.177 25.577 2.033 1.00 65.33 H new ATOM 0 HB2 LYS A 44 2.944 23.978 0.364 1.00 23.13 H new ATOM 0 HB3 LYS A 44 1.324 23.769 -0.271 1.00 23.13 H new ATOM 0 HG2 LYS A 44 1.333 26.170 -1.035 1.00 12.41 H new ATOM 0 HG3 LYS A 44 2.972 26.340 -0.438 1.00 12.41 H new ATOM 0 HD2 LYS A 44 3.777 24.655 -2.068 1.00 23.44 H new ATOM 0 HD3 LYS A 44 2.139 24.375 -2.624 1.00 23.44 H new ATOM 0 HE2 LYS A 44 3.409 25.901 -4.150 1.00 62.31 H new ATOM 0 HE3 LYS A 44 1.969 26.660 -3.501 1.00 62.31 H new ATOM 0 HZ1 LYS A 44 4.056 28.034 -3.484 1.00 54.53 H new ATOM 0 HZ2 LYS A 44 3.238 27.936 -1.999 1.00 54.53 H new ATOM 0 HZ3 LYS A 44 4.643 27.018 -2.257 1.00 54.53 H new ATOM 703 N THR A 45 -0.946 25.270 0.898 1.00 13.52 N ATOM 704 CA THR A 45 -2.184 25.984 0.488 1.00 3.44 C ATOM 705 C THR A 45 -2.745 26.841 1.648 1.00 64.24 C ATOM 706 O THR A 45 -3.325 27.910 1.433 1.00 32.24 O ATOM 707 CB THR A 45 -3.260 24.972 -0.047 1.00 41.02 C ATOM 708 OG1 THR A 45 -4.244 25.648 -0.850 1.00 14.00 O ATOM 709 CG2 THR A 45 -3.990 24.199 1.061 1.00 70.30 C ATOM 0 H THR A 45 -1.043 24.255 0.896 1.00 13.52 H new ATOM 0 HA THR A 45 -1.929 26.662 -0.326 1.00 3.44 H new ATOM 0 HB THR A 45 -2.700 24.251 -0.642 1.00 41.02 H new ATOM 0 HG1 THR A 45 -4.903 24.999 -1.174 1.00 14.00 H new ATOM 0 HG21 THR A 45 -4.717 23.521 0.613 1.00 70.30 H new ATOM 0 HG22 THR A 45 -3.267 23.625 1.641 1.00 70.30 H new ATOM 0 HG23 THR A 45 -4.505 24.902 1.716 1.00 70.30 H new ATOM 717 N ALA A 46 -2.533 26.340 2.882 1.00 41.24 N ATOM 718 CA ALA A 46 -2.823 27.080 4.128 1.00 40.00 C ATOM 719 C ALA A 46 -1.857 28.274 4.322 1.00 74.30 C ATOM 720 O ALA A 46 -2.284 29.373 4.703 1.00 14.34 O ATOM 721 CB ALA A 46 -2.749 26.123 5.326 1.00 43.23 C ATOM 0 H ALA A 46 -2.154 25.407 3.043 1.00 41.24 H new ATOM 0 HA ALA A 46 -3.831 27.489 4.055 1.00 40.00 H new ATOM 0 HB1 ALA A 46 -2.963 26.671 6.243 1.00 43.23 H new ATOM 0 HB2 ALA A 46 -3.481 25.326 5.200 1.00 43.23 H new ATOM 0 HB3 ALA A 46 -1.750 25.692 5.386 1.00 43.23 H new ATOM 727 N LEU A 47 -0.557 28.029 4.057 1.00 65.35 N ATOM 728 CA LEU A 47 0.508 29.059 4.111 1.00 0.10 C ATOM 729 C LEU A 47 0.220 30.197 3.094 1.00 3.33 C ATOM 730 O LEU A 47 0.407 31.377 3.409 1.00 13.41 O ATOM 731 CB LEU A 47 1.890 28.363 3.862 1.00 70.32 C ATOM 732 CG LEU A 47 3.204 29.233 3.997 1.00 42.20 C ATOM 733 CD1 LEU A 47 4.422 28.341 4.323 1.00 4.01 C ATOM 734 CD2 LEU A 47 3.496 30.075 2.724 1.00 21.24 C ATOM 0 H LEU A 47 -0.212 27.105 3.797 1.00 65.35 H new ATOM 0 HA LEU A 47 0.533 29.529 5.094 1.00 0.10 H new ATOM 0 HB2 LEU A 47 1.972 27.528 4.558 1.00 70.32 H new ATOM 0 HB3 LEU A 47 1.873 27.940 2.857 1.00 70.32 H new ATOM 0 HG LEU A 47 3.031 29.927 4.819 1.00 42.20 H new ATOM 0 HD11 LEU A 47 5.314 28.961 4.411 1.00 4.01 H new ATOM 0 HD12 LEU A 47 4.249 27.819 5.264 1.00 4.01 H new ATOM 0 HD13 LEU A 47 4.564 27.613 3.524 1.00 4.01 H new ATOM 0 HD21 LEU A 47 4.409 30.653 2.871 1.00 21.24 H new ATOM 0 HD22 LEU A 47 3.621 29.411 1.869 1.00 21.24 H new ATOM 0 HD23 LEU A 47 2.663 30.753 2.538 1.00 21.24 H new ATOM 746 N GLU A 48 -0.270 29.825 1.890 1.00 63.42 N ATOM 747 CA GLU A 48 -0.595 30.785 0.817 1.00 74.53 C ATOM 748 C GLU A 48 -1.759 31.695 1.243 1.00 13.54 C ATOM 749 O GLU A 48 -1.675 32.911 1.126 1.00 60.40 O ATOM 750 CB GLU A 48 -0.962 30.045 -0.508 1.00 62.11 C ATOM 751 CG GLU A 48 0.133 29.109 -1.074 1.00 74.50 C ATOM 752 CD GLU A 48 1.520 29.764 -1.217 1.00 62.33 C ATOM 753 OE1 GLU A 48 1.622 30.818 -1.882 1.00 72.22 O ATOM 754 OE2 GLU A 48 2.520 29.210 -0.703 1.00 14.12 O ATOM 0 H GLU A 48 -0.450 28.853 1.638 1.00 63.42 H new ATOM 0 HA GLU A 48 0.290 31.396 0.639 1.00 74.53 H new ATOM 0 HB2 GLU A 48 -1.865 29.458 -0.338 1.00 62.11 H new ATOM 0 HB3 GLU A 48 -1.205 30.791 -1.265 1.00 62.11 H new ATOM 0 HG2 GLU A 48 0.221 28.239 -0.424 1.00 74.50 H new ATOM 0 HG3 GLU A 48 -0.186 28.746 -2.051 1.00 74.50 H new ATOM 761 N SER A 49 -2.834 31.072 1.776 1.00 74.14 N ATOM 762 CA SER A 49 -4.041 31.791 2.250 1.00 5.42 C ATOM 763 C SER A 49 -3.717 32.777 3.407 1.00 32.03 C ATOM 764 O SER A 49 -4.354 33.832 3.528 1.00 11.10 O ATOM 765 CB SER A 49 -5.132 30.780 2.693 1.00 74.45 C ATOM 766 OG SER A 49 -5.534 29.940 1.617 1.00 2.14 O ATOM 0 H SER A 49 -2.891 30.060 1.890 1.00 74.14 H new ATOM 0 HA SER A 49 -4.417 32.382 1.415 1.00 5.42 H new ATOM 0 HB2 SER A 49 -4.752 30.168 3.511 1.00 74.45 H new ATOM 0 HB3 SER A 49 -5.997 31.321 3.076 1.00 74.45 H new ATOM 0 HG SER A 49 -4.863 29.239 1.481 1.00 2.14 H new ATOM 772 N ALA A 50 -2.717 32.431 4.239 1.00 20.40 N ATOM 773 CA ALA A 50 -2.312 33.250 5.406 1.00 64.30 C ATOM 774 C ALA A 50 -1.445 34.457 4.991 1.00 71.30 C ATOM 775 O ALA A 50 -1.746 35.608 5.327 1.00 42.11 O ATOM 776 CB ALA A 50 -1.547 32.369 6.407 1.00 72.52 C ATOM 0 H ALA A 50 -2.166 31.580 4.125 1.00 20.40 H new ATOM 0 HA ALA A 50 -3.215 33.644 5.871 1.00 64.30 H new ATOM 0 HB1 ALA A 50 -1.248 32.970 7.266 1.00 72.52 H new ATOM 0 HB2 ALA A 50 -2.190 31.554 6.740 1.00 72.52 H new ATOM 0 HB3 ALA A 50 -0.660 31.958 5.926 1.00 72.52 H new ATOM 782 N PHE A 51 -0.386 34.162 4.224 1.00 25.55 N ATOM 783 CA PHE A 51 0.685 35.130 3.890 1.00 33.24 C ATOM 784 C PHE A 51 0.360 36.008 2.660 1.00 35.33 C ATOM 785 O PHE A 51 1.038 37.010 2.430 1.00 31.32 O ATOM 786 CB PHE A 51 2.035 34.380 3.699 1.00 1.13 C ATOM 787 CG PHE A 51 2.668 33.904 5.013 1.00 55.24 C ATOM 788 CD1 PHE A 51 3.529 34.738 5.730 1.00 51.13 C ATOM 789 CD2 PHE A 51 2.390 32.643 5.546 1.00 32.54 C ATOM 790 CE1 PHE A 51 4.098 34.322 6.917 1.00 24.12 C ATOM 791 CE2 PHE A 51 2.958 32.229 6.737 1.00 14.42 C ATOM 792 CZ PHE A 51 3.810 33.071 7.427 1.00 44.53 C ATOM 0 H PHE A 51 -0.241 33.240 3.812 1.00 25.55 H new ATOM 0 HA PHE A 51 0.764 35.819 4.731 1.00 33.24 H new ATOM 0 HB2 PHE A 51 1.873 33.519 3.051 1.00 1.13 H new ATOM 0 HB3 PHE A 51 2.736 35.038 3.186 1.00 1.13 H new ATOM 0 HD1 PHE A 51 3.753 35.724 5.350 1.00 51.13 H new ATOM 0 HD2 PHE A 51 1.720 31.980 5.019 1.00 32.54 H new ATOM 0 HE1 PHE A 51 4.771 34.978 7.449 1.00 24.12 H new ATOM 0 HE2 PHE A 51 2.736 31.247 7.128 1.00 14.42 H new ATOM 0 HZ PHE A 51 4.249 32.752 8.361 1.00 44.53 H new ATOM 802 N ALA A 52 -0.669 35.635 1.876 1.00 3.35 N ATOM 803 CA ALA A 52 -1.138 36.464 0.729 1.00 2.54 C ATOM 804 C ALA A 52 -2.024 37.642 1.197 1.00 0.23 C ATOM 805 O ALA A 52 -2.263 38.578 0.432 1.00 14.04 O ATOM 806 CB ALA A 52 -1.879 35.603 -0.308 1.00 64.05 C ATOM 0 H ALA A 52 -1.195 34.771 2.008 1.00 3.35 H new ATOM 0 HA ALA A 52 -0.253 36.887 0.254 1.00 2.54 H new ATOM 0 HB1 ALA A 52 -2.210 36.233 -1.134 1.00 64.05 H new ATOM 0 HB2 ALA A 52 -1.208 34.831 -0.686 1.00 64.05 H new ATOM 0 HB3 ALA A 52 -2.744 35.134 0.160 1.00 64.05 H new ATOM 812 N ASP A 53 -2.507 37.597 2.453 1.00 32.13 N ATOM 813 CA ASP A 53 -3.345 38.676 3.024 1.00 30.03 C ATOM 814 C ASP A 53 -2.648 39.342 4.238 1.00 24.34 C ATOM 815 O ASP A 53 -2.768 40.550 4.438 1.00 73.33 O ATOM 816 CB ASP A 53 -4.727 38.104 3.426 1.00 24.32 C ATOM 817 CG ASP A 53 -5.745 39.202 3.778 1.00 22.43 C ATOM 818 OD1 ASP A 53 -6.296 39.831 2.850 1.00 63.34 O ATOM 819 OD2 ASP A 53 -5.987 39.460 4.971 1.00 1.23 O ATOM 0 H ASP A 53 -2.332 36.824 3.095 1.00 32.13 H new ATOM 0 HA ASP A 53 -3.487 39.447 2.266 1.00 30.03 H new ATOM 0 HB2 ASP A 53 -5.118 37.501 2.607 1.00 24.32 H new ATOM 0 HB3 ASP A 53 -4.606 37.439 4.281 1.00 24.32 H new ATOM 824 N ASP A 54 -1.928 38.541 5.050 1.00 34.24 N ATOM 825 CA ASP A 54 -1.254 39.021 6.290 1.00 22.33 C ATOM 826 C ASP A 54 0.266 38.749 6.291 1.00 24.44 C ATOM 827 O ASP A 54 0.720 37.605 6.204 1.00 54.11 O ATOM 828 CB ASP A 54 -1.888 38.368 7.549 1.00 40.11 C ATOM 829 CG ASP A 54 -3.332 38.810 7.775 1.00 60.13 C ATOM 830 OD1 ASP A 54 -4.254 38.173 7.239 1.00 3.02 O ATOM 831 OD2 ASP A 54 -3.554 39.809 8.495 1.00 63.05 O ATOM 0 H ASP A 54 -1.793 37.546 4.872 1.00 34.24 H new ATOM 0 HA ASP A 54 -1.400 40.101 6.314 1.00 22.33 H new ATOM 0 HB2 ASP A 54 -1.856 37.283 7.447 1.00 40.11 H new ATOM 0 HB3 ASP A 54 -1.292 38.623 8.425 1.00 40.11 H new ATOM 836 N GLN A 55 1.043 39.838 6.391 1.00 24.23 N ATOM 837 CA GLN A 55 2.480 39.811 6.760 1.00 63.11 C ATOM 838 C GLN A 55 2.648 40.120 8.275 1.00 33.12 C ATOM 839 O GLN A 55 3.763 40.360 8.748 1.00 31.01 O ATOM 840 CB GLN A 55 3.275 40.837 5.894 1.00 54.32 C ATOM 841 CG GLN A 55 3.425 40.458 4.394 1.00 71.15 C ATOM 842 CD GLN A 55 2.128 40.484 3.575 1.00 61.42 C ATOM 843 OE1 GLN A 55 1.211 41.257 3.841 1.00 33.33 O ATOM 844 NE2 GLN A 55 2.040 39.639 2.576 1.00 61.12 N ATOM 0 H GLN A 55 0.692 40.780 6.217 1.00 24.23 H new ATOM 0 HA GLN A 55 2.879 38.816 6.566 1.00 63.11 H new ATOM 0 HB2 GLN A 55 2.780 41.806 5.960 1.00 54.32 H new ATOM 0 HB3 GLN A 55 4.270 40.958 6.323 1.00 54.32 H new ATOM 0 HG2 GLN A 55 4.139 41.141 3.934 1.00 71.15 H new ATOM 0 HG3 GLN A 55 3.855 39.458 4.331 1.00 71.15 H new ATOM 0 HE21 GLN A 55 2.814 39.006 2.373 1.00 61.12 H new ATOM 0 HE22 GLN A 55 1.198 39.614 2.001 1.00 61.12 H new ATOM 853 N THR A 56 1.508 40.089 9.011 1.00 5.25 N ATOM 854 CA THR A 56 1.421 40.358 10.476 1.00 64.43 C ATOM 855 C THR A 56 2.392 39.473 11.295 1.00 1.11 C ATOM 856 O THR A 56 2.983 39.917 12.287 1.00 11.23 O ATOM 857 CB THR A 56 -0.050 40.124 10.988 1.00 72.30 C ATOM 858 OG1 THR A 56 -0.978 40.832 10.148 1.00 72.04 O ATOM 859 CG2 THR A 56 -0.252 40.573 12.454 1.00 21.02 C ATOM 0 H THR A 56 0.602 39.872 8.597 1.00 5.25 H new ATOM 0 HA THR A 56 1.708 41.399 10.624 1.00 64.43 H new ATOM 0 HB THR A 56 -0.232 39.050 10.943 1.00 72.30 H new ATOM 0 HG1 THR A 56 -1.891 40.681 10.470 1.00 72.04 H new ATOM 0 HG21 THR A 56 -1.284 40.388 12.752 1.00 21.02 H new ATOM 0 HG22 THR A 56 0.420 40.011 13.103 1.00 21.02 H new ATOM 0 HG23 THR A 56 -0.034 41.637 12.542 1.00 21.02 H new ATOM 867 N TYR A 57 2.523 38.211 10.867 1.00 15.31 N ATOM 868 CA TYR A 57 3.514 37.255 11.394 1.00 21.43 C ATOM 869 C TYR A 57 4.615 37.035 10.318 1.00 41.14 C ATOM 870 O TYR A 57 4.418 36.231 9.400 1.00 45.42 O ATOM 871 CB TYR A 57 2.798 35.921 11.763 1.00 32.50 C ATOM 872 CG TYR A 57 3.687 34.870 12.466 1.00 61.02 C ATOM 873 CD1 TYR A 57 4.474 33.962 11.737 1.00 43.05 C ATOM 874 CD2 TYR A 57 3.735 34.791 13.858 1.00 65.43 C ATOM 875 CE1 TYR A 57 5.265 33.031 12.372 1.00 3.43 C ATOM 876 CE2 TYR A 57 4.528 33.857 14.494 1.00 14.24 C ATOM 877 CZ TYR A 57 5.288 32.979 13.749 1.00 73.31 C ATOM 878 OH TYR A 57 6.080 32.052 14.389 1.00 35.02 O ATOM 0 H TYR A 57 1.935 37.816 10.133 1.00 15.31 H new ATOM 0 HA TYR A 57 3.985 37.643 12.297 1.00 21.43 H new ATOM 0 HB2 TYR A 57 1.951 36.149 12.410 1.00 32.50 H new ATOM 0 HB3 TYR A 57 2.393 35.480 10.852 1.00 32.50 H new ATOM 0 HD1 TYR A 57 4.458 33.995 10.658 1.00 43.05 H new ATOM 0 HD2 TYR A 57 3.141 35.473 14.449 1.00 65.43 H new ATOM 0 HE1 TYR A 57 5.865 32.344 11.793 1.00 3.43 H new ATOM 0 HE2 TYR A 57 4.553 33.814 15.573 1.00 14.24 H new ATOM 0 HH TYR A 57 5.981 32.151 15.359 1.00 35.02 H new ATOM 888 N PRO A 58 5.758 37.796 10.354 1.00 74.13 N ATOM 889 CA PRO A 58 6.872 37.571 9.418 1.00 61.12 C ATOM 890 C PRO A 58 7.843 36.444 9.904 1.00 70.13 C ATOM 891 O PRO A 58 8.256 36.431 11.072 1.00 43.34 O ATOM 892 CB PRO A 58 7.555 38.960 9.376 1.00 5.53 C ATOM 893 CG PRO A 58 7.319 39.555 10.735 1.00 54.03 C ATOM 894 CD PRO A 58 6.025 38.947 11.264 1.00 75.14 C ATOM 0 HA PRO A 58 6.547 37.220 8.439 1.00 61.12 H new ATOM 0 HB2 PRO A 58 8.621 38.869 9.165 1.00 5.53 H new ATOM 0 HB3 PRO A 58 7.128 39.586 8.592 1.00 5.53 H new ATOM 0 HG2 PRO A 58 8.151 39.334 11.403 1.00 54.03 H new ATOM 0 HG3 PRO A 58 7.239 40.640 10.673 1.00 54.03 H new ATOM 0 HD2 PRO A 58 6.133 38.619 12.298 1.00 75.14 H new ATOM 0 HD3 PRO A 58 5.209 39.669 11.242 1.00 75.14 H new ATOM 902 N PRO A 59 8.211 35.458 9.021 1.00 3.52 N ATOM 903 CA PRO A 59 9.209 34.424 9.351 1.00 1.53 C ATOM 904 C PRO A 59 10.656 34.849 8.947 1.00 53.23 C ATOM 905 O PRO A 59 10.978 34.968 7.758 1.00 4.21 O ATOM 906 CB PRO A 59 8.687 33.208 8.551 1.00 54.32 C ATOM 907 CG PRO A 59 8.017 33.793 7.330 1.00 13.52 C ATOM 908 CD PRO A 59 7.650 35.240 7.661 1.00 14.44 C ATOM 0 HA PRO A 59 9.303 34.224 10.418 1.00 1.53 H new ATOM 0 HB2 PRO A 59 9.503 32.542 8.271 1.00 54.32 H new ATOM 0 HB3 PRO A 59 7.984 32.621 9.142 1.00 54.32 H new ATOM 0 HG2 PRO A 59 8.685 33.753 6.469 1.00 13.52 H new ATOM 0 HG3 PRO A 59 7.127 33.221 7.069 1.00 13.52 H new ATOM 0 HD2 PRO A 59 8.078 35.934 6.938 1.00 14.44 H new ATOM 0 HD3 PRO A 59 6.570 35.390 7.647 1.00 14.44 H new ATOM 916 N GLU A 60 11.514 35.117 9.950 1.00 3.13 N ATOM 917 CA GLU A 60 12.920 35.525 9.718 1.00 30.05 C ATOM 918 C GLU A 60 13.793 34.312 9.289 1.00 64.05 C ATOM 919 O GLU A 60 13.912 33.318 10.016 1.00 44.21 O ATOM 920 CB GLU A 60 13.497 36.245 10.977 1.00 1.33 C ATOM 921 CG GLU A 60 13.436 35.448 12.297 1.00 61.22 C ATOM 922 CD GLU A 60 13.984 36.236 13.500 1.00 71.41 C ATOM 923 OE1 GLU A 60 13.209 36.974 14.145 1.00 52.05 O ATOM 924 OE2 GLU A 60 15.200 36.149 13.782 1.00 31.01 O ATOM 0 H GLU A 60 11.259 35.059 10.936 1.00 3.13 H new ATOM 0 HA GLU A 60 12.941 36.238 8.894 1.00 30.05 H new ATOM 0 HB2 GLU A 60 14.537 36.503 10.779 1.00 1.33 H new ATOM 0 HB3 GLU A 60 12.957 37.182 11.115 1.00 1.33 H new ATOM 0 HG2 GLU A 60 12.403 35.164 12.496 1.00 61.22 H new ATOM 0 HG3 GLU A 60 14.005 34.525 12.185 1.00 61.22 H new ATOM 931 N SER A 61 14.376 34.399 8.080 1.00 45.20 N ATOM 932 CA SER A 61 15.193 33.309 7.486 1.00 23.30 C ATOM 933 C SER A 61 16.647 33.346 8.034 1.00 52.12 C ATOM 934 O SER A 61 16.961 32.574 8.965 1.00 2.02 O ATOM 935 CB SER A 61 15.176 33.424 5.938 1.00 75.11 C ATOM 936 OG SER A 61 15.893 32.363 5.320 1.00 35.04 O ATOM 937 OXT SER A 61 17.451 34.184 7.570 1.00 36.97 O ATOM 0 H SER A 61 14.298 35.222 7.483 1.00 45.20 H new ATOM 0 HA SER A 61 14.760 32.349 7.769 1.00 23.30 H new ATOM 0 HB2 SER A 61 14.145 33.419 5.585 1.00 75.11 H new ATOM 0 HB3 SER A 61 15.611 34.378 5.640 1.00 75.11 H new ATOM 0 HG SER A 61 15.859 32.469 4.346 1.00 35.04 H new TER 943 SER A 61