USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=14 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+ 145:sc= 0.539 (180deg=0.0805) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -2.06! K(o=-2.1!,f=-0.073) USER MOD Single : A 25 SER OG : rot 78:sc= 0.963 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 : amide:sc=-0.00638 X(o=-0.0064,f=0) 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 80:sc= 0.189 USER MOD Single : A 42 ASN : amide:sc= -0.0629 K(o=-0.063,f=-0.76!) USER MOD Single : A 44 LYS NZ :NH3+ 176:sc= 0.836 (180deg=0.802) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.188 K(o=0.19,f=-0.32) USER MOD Single : A 56 THR OG1 : rot 8:sc= 0.298 USER MOD Single : A 57 TYR OH : rot -114:sc= 0.394 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -2.991 -36.366 8.172 1.00 51.45 N ATOM 2 CA PHE A 1 -2.801 -35.192 7.279 1.00 44.15 C ATOM 3 C PHE A 1 -3.053 -35.591 5.809 1.00 61.23 C ATOM 4 O PHE A 1 -2.289 -36.377 5.238 1.00 3.30 O ATOM 5 CB PHE A 1 -1.369 -34.606 7.463 1.00 12.45 C ATOM 6 CG PHE A 1 -1.058 -34.145 8.890 1.00 60.51 C ATOM 7 CD1 PHE A 1 -0.515 -35.027 9.831 1.00 12.35 C ATOM 8 CD2 PHE A 1 -1.320 -32.834 9.295 1.00 52.24 C ATOM 9 CE1 PHE A 1 -0.242 -34.613 11.120 1.00 2.43 C ATOM 10 CE2 PHE A 1 -1.049 -32.423 10.587 1.00 61.45 C ATOM 11 CZ PHE A 1 -0.511 -33.312 11.499 1.00 1.22 C ATOM 0 H1 PHE A 1 -2.314 -36.316 8.960 1.00 51.45 H new ATOM 0 H2 PHE A 1 -3.961 -36.363 8.548 1.00 51.45 H new ATOM 0 H3 PHE A 1 -2.831 -37.241 7.633 1.00 51.45 H new ATOM 0 HA PHE A 1 -3.523 -34.420 7.547 1.00 44.15 H new ATOM 0 HB2 PHE A 1 -0.639 -35.361 7.170 1.00 12.45 H new ATOM 0 HB3 PHE A 1 -1.244 -33.762 6.785 1.00 12.45 H new ATOM 0 HD1 PHE A 1 -0.306 -36.047 9.545 1.00 12.35 H new ATOM 0 HD2 PHE A 1 -1.740 -32.132 8.590 1.00 52.24 H new ATOM 0 HE1 PHE A 1 0.182 -35.306 11.832 1.00 2.43 H new ATOM 0 HE2 PHE A 1 -1.258 -31.406 10.884 1.00 61.45 H new ATOM 0 HZ PHE A 1 -0.301 -32.989 12.508 1.00 1.22 H new ATOM 23 N THR A 2 -4.124 -35.048 5.189 1.00 64.20 N ATOM 24 CA THR A 2 -4.459 -35.342 3.782 1.00 21.14 C ATOM 25 C THR A 2 -3.543 -34.520 2.868 1.00 44.14 C ATOM 26 O THR A 2 -3.517 -33.297 2.975 1.00 52.24 O ATOM 27 CB THR A 2 -5.960 -35.018 3.470 1.00 35.02 C ATOM 28 OG1 THR A 2 -6.812 -35.729 4.382 1.00 14.41 O ATOM 29 CG2 THR A 2 -6.352 -35.376 2.026 1.00 43.51 C ATOM 0 H THR A 2 -4.771 -34.403 5.643 1.00 64.20 H new ATOM 0 HA THR A 2 -4.308 -36.407 3.603 1.00 21.14 H new ATOM 0 HB THR A 2 -6.087 -33.942 3.590 1.00 35.02 H new ATOM 0 HG1 THR A 2 -7.749 -35.522 4.184 1.00 14.41 H new ATOM 0 HG21 THR A 2 -7.402 -35.132 1.863 1.00 43.51 H new ATOM 0 HG22 THR A 2 -5.735 -34.808 1.330 1.00 43.51 H new ATOM 0 HG23 THR A 2 -6.198 -36.442 1.861 1.00 43.51 H new ATOM 37 N LEU A 3 -2.802 -35.203 1.979 1.00 33.35 N ATOM 38 CA LEU A 3 -1.829 -34.554 1.061 1.00 24.13 C ATOM 39 C LEU A 3 -2.524 -33.566 0.094 1.00 24.34 C ATOM 40 O LEU A 3 -1.880 -32.655 -0.427 1.00 51.42 O ATOM 41 CB LEU A 3 -1.006 -35.613 0.262 1.00 60.14 C ATOM 42 CG LEU A 3 0.035 -36.472 1.074 1.00 4.14 C ATOM 43 CD1 LEU A 3 1.029 -35.571 1.851 1.00 45.32 C ATOM 44 CD2 LEU A 3 -0.651 -37.509 2.005 1.00 42.51 C ATOM 0 H LEU A 3 -2.854 -36.216 1.871 1.00 33.35 H new ATOM 0 HA LEU A 3 -1.139 -33.984 1.683 1.00 24.13 H new ATOM 0 HB2 LEU A 3 -1.708 -36.296 -0.217 1.00 60.14 H new ATOM 0 HB3 LEU A 3 -0.470 -35.095 -0.534 1.00 60.14 H new ATOM 0 HG LEU A 3 0.610 -37.044 0.345 1.00 4.14 H new ATOM 0 HD11 LEU A 3 1.733 -36.196 2.400 1.00 45.32 H new ATOM 0 HD12 LEU A 3 1.574 -34.941 1.149 1.00 45.32 H new ATOM 0 HD13 LEU A 3 0.479 -34.942 2.551 1.00 45.32 H new ATOM 0 HD21 LEU A 3 0.110 -38.075 2.542 1.00 42.51 H new ATOM 0 HD22 LEU A 3 -1.289 -36.990 2.720 1.00 42.51 H new ATOM 0 HD23 LEU A 3 -1.256 -38.191 1.407 1.00 42.51 H new ATOM 56 N ILE A 4 -3.839 -33.769 -0.134 1.00 63.24 N ATOM 57 CA ILE A 4 -4.689 -32.813 -0.881 1.00 60.41 C ATOM 58 C ILE A 4 -4.904 -31.522 -0.057 1.00 11.30 C ATOM 59 O ILE A 4 -4.694 -30.427 -0.563 1.00 62.30 O ATOM 60 CB ILE A 4 -6.077 -33.452 -1.285 1.00 13.41 C ATOM 61 CG1 ILE A 4 -5.856 -34.697 -2.204 1.00 72.32 C ATOM 62 CG2 ILE A 4 -7.023 -32.423 -1.967 1.00 23.31 C ATOM 63 CD1 ILE A 4 -5.103 -34.416 -3.500 1.00 45.42 C ATOM 0 H ILE A 4 -4.341 -34.595 0.192 1.00 63.24 H new ATOM 0 HA ILE A 4 -4.166 -32.559 -1.803 1.00 60.41 H new ATOM 0 HB ILE A 4 -6.567 -33.773 -0.366 1.00 13.41 H new ATOM 0 HG12 ILE A 4 -5.309 -35.453 -1.641 1.00 72.32 H new ATOM 0 HG13 ILE A 4 -6.828 -35.124 -2.451 1.00 72.32 H new ATOM 0 HG21 ILE A 4 -7.963 -32.909 -2.226 1.00 23.31 H new ATOM 0 HG22 ILE A 4 -7.218 -31.598 -1.282 1.00 23.31 H new ATOM 0 HG23 ILE A 4 -6.552 -32.040 -2.872 1.00 23.31 H new ATOM 0 HD11 ILE A 4 -5.000 -35.340 -4.068 1.00 45.42 H new ATOM 0 HD12 ILE A 4 -5.656 -33.686 -4.091 1.00 45.42 H new ATOM 0 HD13 ILE A 4 -4.114 -34.020 -3.268 1.00 45.42 H new ATOM 75 N GLU A 5 -5.296 -31.676 1.228 1.00 41.40 N ATOM 76 CA GLU A 5 -5.463 -30.537 2.176 1.00 71.30 C ATOM 77 C GLU A 5 -4.152 -29.740 2.367 1.00 2.30 C ATOM 78 O GLU A 5 -4.184 -28.513 2.462 1.00 31.15 O ATOM 79 CB GLU A 5 -6.001 -31.032 3.550 1.00 44.22 C ATOM 80 CG GLU A 5 -7.447 -31.563 3.524 1.00 11.44 C ATOM 81 CD GLU A 5 -8.470 -30.512 3.051 1.00 74.45 C ATOM 82 OE1 GLU A 5 -8.809 -29.602 3.839 1.00 13.51 O ATOM 83 OE2 GLU A 5 -8.927 -30.579 1.887 1.00 32.55 O ATOM 0 H GLU A 5 -5.506 -32.585 1.641 1.00 41.40 H new ATOM 0 HA GLU A 5 -6.196 -29.862 1.734 1.00 71.30 H new ATOM 0 HB2 GLU A 5 -5.346 -31.821 3.918 1.00 44.22 H new ATOM 0 HB3 GLU A 5 -5.943 -30.211 4.264 1.00 44.22 H new ATOM 0 HG2 GLU A 5 -7.497 -32.431 2.867 1.00 11.44 H new ATOM 0 HG3 GLU A 5 -7.720 -31.903 4.523 1.00 11.44 H new ATOM 90 N LEU A 6 -3.013 -30.457 2.409 1.00 72.45 N ATOM 91 CA LEU A 6 -1.674 -29.837 2.519 1.00 35.43 C ATOM 92 C LEU A 6 -1.289 -29.099 1.219 1.00 33.31 C ATOM 93 O LEU A 6 -0.707 -28.019 1.269 1.00 45.05 O ATOM 94 CB LEU A 6 -0.610 -30.910 2.869 1.00 21.15 C ATOM 95 CG LEU A 6 -0.869 -31.731 4.176 1.00 1.42 C ATOM 96 CD1 LEU A 6 0.252 -32.769 4.422 1.00 2.10 C ATOM 97 CD2 LEU A 6 -1.066 -30.805 5.406 1.00 24.54 C ATOM 0 H LEU A 6 -2.992 -31.476 2.368 1.00 72.45 H new ATOM 0 HA LEU A 6 -1.709 -29.101 3.322 1.00 35.43 H new ATOM 0 HB2 LEU A 6 -0.537 -31.607 2.034 1.00 21.15 H new ATOM 0 HB3 LEU A 6 0.358 -30.418 2.959 1.00 21.15 H new ATOM 0 HG LEU A 6 -1.800 -32.280 4.034 1.00 1.42 H new ATOM 0 HD11 LEU A 6 0.041 -33.322 5.337 1.00 2.10 H new ATOM 0 HD12 LEU A 6 0.297 -33.462 3.582 1.00 2.10 H new ATOM 0 HD13 LEU A 6 1.208 -32.255 4.520 1.00 2.10 H new ATOM 0 HD21 LEU A 6 -1.243 -31.412 6.294 1.00 24.54 H new ATOM 0 HD22 LEU A 6 -0.171 -30.200 5.553 1.00 24.54 H new ATOM 0 HD23 LEU A 6 -1.922 -30.152 5.236 1.00 24.54 H new ATOM 109 N LEU A 7 -1.629 -29.704 0.066 1.00 54.15 N ATOM 110 CA LEU A 7 -1.398 -29.113 -1.266 1.00 63.40 C ATOM 111 C LEU A 7 -2.150 -27.762 -1.397 1.00 62.11 C ATOM 112 O LEU A 7 -1.560 -26.758 -1.806 1.00 31.33 O ATOM 113 CB LEU A 7 -1.846 -30.135 -2.369 1.00 14.35 C ATOM 114 CG LEU A 7 -1.296 -29.942 -3.831 1.00 20.11 C ATOM 115 CD1 LEU A 7 -1.962 -28.768 -4.587 1.00 54.42 C ATOM 116 CD2 LEU A 7 0.247 -29.805 -3.811 1.00 11.25 C ATOM 0 H LEU A 7 -2.074 -30.621 0.032 1.00 54.15 H new ATOM 0 HA LEU A 7 -0.336 -28.905 -1.398 1.00 63.40 H new ATOM 0 HB2 LEU A 7 -1.559 -31.132 -2.035 1.00 14.35 H new ATOM 0 HB3 LEU A 7 -2.935 -30.116 -2.418 1.00 14.35 H new ATOM 0 HG LEU A 7 -1.563 -30.838 -4.391 1.00 20.11 H new ATOM 0 HD11 LEU A 7 -1.536 -28.691 -5.588 1.00 54.42 H new ATOM 0 HD12 LEU A 7 -3.035 -28.945 -4.662 1.00 54.42 H new ATOM 0 HD13 LEU A 7 -1.785 -27.839 -4.045 1.00 54.42 H new ATOM 0 HD21 LEU A 7 0.614 -29.672 -4.829 1.00 11.25 H new ATOM 0 HD22 LEU A 7 0.528 -28.941 -3.208 1.00 11.25 H new ATOM 0 HD23 LEU A 7 0.687 -30.705 -3.382 1.00 11.25 H new ATOM 128 N ILE A 8 -3.448 -27.761 -1.018 1.00 75.52 N ATOM 129 CA ILE A 8 -4.327 -26.599 -1.118 1.00 51.02 C ATOM 130 C ILE A 8 -3.932 -25.481 -0.129 1.00 3.10 C ATOM 131 O ILE A 8 -3.837 -24.338 -0.539 1.00 5.44 O ATOM 132 CB ILE A 8 -5.823 -27.024 -0.886 1.00 72.41 C ATOM 133 CG1 ILE A 8 -6.269 -28.101 -1.929 1.00 63.45 C ATOM 134 CG2 ILE A 8 -6.764 -25.799 -0.934 1.00 54.31 C ATOM 135 CD1 ILE A 8 -7.598 -28.758 -1.612 1.00 35.03 C ATOM 0 H ILE A 8 -3.910 -28.584 -0.630 1.00 75.52 H new ATOM 0 HA ILE A 8 -4.217 -26.197 -2.125 1.00 51.02 H new ATOM 0 HB ILE A 8 -5.891 -27.465 0.109 1.00 72.41 H new ATOM 0 HG12 ILE A 8 -6.332 -27.635 -2.912 1.00 63.45 H new ATOM 0 HG13 ILE A 8 -5.501 -28.872 -1.990 1.00 63.45 H new ATOM 0 HG21 ILE A 8 -7.792 -26.123 -0.770 1.00 54.31 H new ATOM 0 HG22 ILE A 8 -6.479 -25.090 -0.156 1.00 54.31 H new ATOM 0 HG23 ILE A 8 -6.686 -25.318 -1.909 1.00 54.31 H new ATOM 0 HD11 ILE A 8 -7.834 -29.491 -2.383 1.00 35.03 H new ATOM 0 HD12 ILE A 8 -7.536 -29.256 -0.644 1.00 35.03 H new ATOM 0 HD13 ILE A 8 -8.380 -28.000 -1.580 1.00 35.03 H new ATOM 147 N VAL A 9 -3.707 -25.819 1.163 1.00 13.43 N ATOM 148 CA VAL A 9 -3.359 -24.823 2.204 1.00 1.43 C ATOM 149 C VAL A 9 -2.038 -24.079 1.872 1.00 55.11 C ATOM 150 O VAL A 9 -1.948 -22.861 2.032 1.00 34.25 O ATOM 151 CB VAL A 9 -3.307 -25.483 3.642 1.00 33.14 C ATOM 152 CG1 VAL A 9 -2.056 -26.365 3.881 1.00 64.31 C ATOM 153 CG2 VAL A 9 -3.481 -24.420 4.744 1.00 11.54 C ATOM 0 H VAL A 9 -3.761 -26.777 1.510 1.00 13.43 H new ATOM 0 HA VAL A 9 -4.154 -24.077 2.214 1.00 1.43 H new ATOM 0 HB VAL A 9 -4.152 -26.169 3.692 1.00 33.14 H new ATOM 0 HG11 VAL A 9 -2.092 -26.782 4.887 1.00 64.31 H new ATOM 0 HG12 VAL A 9 -2.038 -27.176 3.153 1.00 64.31 H new ATOM 0 HG13 VAL A 9 -1.157 -25.759 3.771 1.00 64.31 H new ATOM 0 HG21 VAL A 9 -3.441 -24.900 5.722 1.00 11.54 H new ATOM 0 HG22 VAL A 9 -2.681 -23.683 4.669 1.00 11.54 H new ATOM 0 HG23 VAL A 9 -4.444 -23.924 4.622 1.00 11.54 H new ATOM 163 N VAL A 10 -1.041 -24.823 1.362 1.00 1.01 N ATOM 164 CA VAL A 10 0.221 -24.253 0.868 1.00 30.31 C ATOM 165 C VAL A 10 -0.018 -23.400 -0.406 1.00 62.52 C ATOM 166 O VAL A 10 0.541 -22.304 -0.531 1.00 64.24 O ATOM 167 CB VAL A 10 1.272 -25.402 0.606 1.00 51.24 C ATOM 168 CG1 VAL A 10 2.518 -24.910 -0.159 1.00 3.22 C ATOM 169 CG2 VAL A 10 1.678 -26.089 1.938 1.00 21.00 C ATOM 0 H VAL A 10 -1.090 -25.839 1.281 1.00 1.01 H new ATOM 0 HA VAL A 10 0.628 -23.590 1.631 1.00 30.31 H new ATOM 0 HB VAL A 10 0.782 -26.135 -0.035 1.00 51.24 H new ATOM 0 HG11 VAL A 10 3.205 -25.743 -0.310 1.00 3.22 H new ATOM 0 HG12 VAL A 10 2.216 -24.509 -1.126 1.00 3.22 H new ATOM 0 HG13 VAL A 10 3.015 -24.130 0.418 1.00 3.22 H new ATOM 0 HG21 VAL A 10 2.403 -26.877 1.735 1.00 21.00 H new ATOM 0 HG22 VAL A 10 2.122 -25.352 2.607 1.00 21.00 H new ATOM 0 HG23 VAL A 10 0.795 -26.521 2.409 1.00 21.00 H new ATOM 179 N ALA A 11 -0.880 -23.891 -1.326 1.00 35.43 N ATOM 180 CA ALA A 11 -1.179 -23.197 -2.603 1.00 63.35 C ATOM 181 C ALA A 11 -1.868 -21.835 -2.373 1.00 61.12 C ATOM 182 O ALA A 11 -1.385 -20.810 -2.861 1.00 43.50 O ATOM 183 CB ALA A 11 -2.045 -24.092 -3.508 1.00 23.40 C ATOM 0 H ALA A 11 -1.384 -24.770 -1.208 1.00 35.43 H new ATOM 0 HA ALA A 11 -0.229 -23.001 -3.099 1.00 63.35 H new ATOM 0 HB1 ALA A 11 -2.256 -23.570 -4.441 1.00 23.40 H new ATOM 0 HB2 ALA A 11 -1.511 -25.017 -3.723 1.00 23.40 H new ATOM 0 HB3 ALA A 11 -2.982 -24.323 -3.001 1.00 23.40 H new ATOM 189 N ILE A 12 -2.970 -21.836 -1.585 1.00 70.03 N ATOM 190 CA ILE A 12 -3.792 -20.638 -1.340 1.00 4.24 C ATOM 191 C ILE A 12 -2.996 -19.551 -0.592 1.00 34.41 C ATOM 192 O ILE A 12 -2.987 -18.417 -1.037 1.00 41.32 O ATOM 193 CB ILE A 12 -5.136 -20.980 -0.578 1.00 15.42 C ATOM 194 CG1 ILE A 12 -4.869 -21.582 0.845 1.00 13.10 C ATOM 195 CG2 ILE A 12 -6.018 -21.927 -1.436 1.00 2.34 C ATOM 196 CD1 ILE A 12 -6.108 -21.949 1.640 1.00 63.11 C ATOM 0 H ILE A 12 -3.309 -22.669 -1.104 1.00 70.03 H new ATOM 0 HA ILE A 12 -4.067 -20.243 -2.318 1.00 4.24 H new ATOM 0 HB ILE A 12 -5.678 -20.047 -0.426 1.00 15.42 H new ATOM 0 HG12 ILE A 12 -4.252 -22.474 0.734 1.00 13.10 H new ATOM 0 HG13 ILE A 12 -4.288 -20.863 1.422 1.00 13.10 H new ATOM 0 HG21 ILE A 12 -6.939 -22.153 -0.898 1.00 2.34 H new ATOM 0 HG22 ILE A 12 -6.260 -21.442 -2.382 1.00 2.34 H new ATOM 0 HG23 ILE A 12 -5.475 -22.852 -1.631 1.00 2.34 H new ATOM 0 HD11 ILE A 12 -5.813 -22.356 2.607 1.00 63.11 H new ATOM 0 HD12 ILE A 12 -6.720 -21.060 1.792 1.00 63.11 H new ATOM 0 HD13 ILE A 12 -6.683 -22.696 1.093 1.00 63.11 H new ATOM 208 N ILE A 13 -2.274 -19.924 0.498 1.00 11.43 N ATOM 209 CA ILE A 13 -1.435 -18.989 1.274 1.00 0.53 C ATOM 210 C ILE A 13 -0.271 -18.451 0.399 1.00 62.31 C ATOM 211 O ILE A 13 0.164 -17.298 0.557 1.00 53.21 O ATOM 212 CB ILE A 13 -0.896 -19.705 2.579 1.00 24.43 C ATOM 213 CG1 ILE A 13 -2.080 -20.052 3.545 1.00 14.02 C ATOM 214 CG2 ILE A 13 0.184 -18.871 3.305 1.00 63.04 C ATOM 215 CD1 ILE A 13 -1.683 -20.823 4.799 1.00 13.42 C ATOM 0 H ILE A 13 -2.261 -20.879 0.857 1.00 11.43 H new ATOM 0 HA ILE A 13 -2.039 -18.135 1.580 1.00 0.53 H new ATOM 0 HB ILE A 13 -0.418 -20.632 2.264 1.00 24.43 H new ATOM 0 HG12 ILE A 13 -2.567 -19.125 3.846 1.00 14.02 H new ATOM 0 HG13 ILE A 13 -2.818 -20.636 2.996 1.00 14.02 H new ATOM 0 HG21 ILE A 13 0.521 -19.406 4.193 1.00 63.04 H new ATOM 0 HG22 ILE A 13 1.030 -18.710 2.636 1.00 63.04 H new ATOM 0 HG23 ILE A 13 -0.236 -17.909 3.598 1.00 63.04 H new ATOM 0 HD11 ILE A 13 -2.569 -21.016 5.403 1.00 13.42 H new ATOM 0 HD12 ILE A 13 -1.225 -21.770 4.514 1.00 13.42 H new ATOM 0 HD13 ILE A 13 -0.970 -20.235 5.377 1.00 13.42 H new ATOM 227 N GLY A 14 0.189 -19.297 -0.550 1.00 2.22 N ATOM 228 CA GLY A 14 1.193 -18.908 -1.542 1.00 50.01 C ATOM 229 C GLY A 14 0.692 -17.824 -2.505 1.00 24.14 C ATOM 230 O GLY A 14 1.432 -16.900 -2.834 1.00 74.14 O ATOM 0 H GLY A 14 -0.129 -20.262 -0.642 1.00 2.22 H new ATOM 0 HA2 GLY A 14 2.084 -18.547 -1.028 1.00 50.01 H new ATOM 0 HA3 GLY A 14 1.490 -19.787 -2.115 1.00 50.01 H new ATOM 234 N ILE A 15 -0.585 -17.944 -2.940 1.00 42.13 N ATOM 235 CA ILE A 15 -1.259 -16.938 -3.791 1.00 60.13 C ATOM 236 C ILE A 15 -1.516 -15.640 -3.005 1.00 21.32 C ATOM 237 O ILE A 15 -1.239 -14.550 -3.513 1.00 50.44 O ATOM 238 CB ILE A 15 -2.614 -17.524 -4.343 1.00 13.42 C ATOM 239 CG1 ILE A 15 -2.346 -18.796 -5.225 1.00 61.03 C ATOM 240 CG2 ILE A 15 -3.441 -16.459 -5.125 1.00 25.12 C ATOM 241 CD1 ILE A 15 -3.483 -19.797 -5.236 1.00 53.34 C ATOM 0 H ILE A 15 -1.176 -18.743 -2.710 1.00 42.13 H new ATOM 0 HA ILE A 15 -0.606 -16.700 -4.631 1.00 60.13 H new ATOM 0 HB ILE A 15 -3.216 -17.820 -3.484 1.00 13.42 H new ATOM 0 HG12 ILE A 15 -2.147 -18.479 -6.249 1.00 61.03 H new ATOM 0 HG13 ILE A 15 -1.445 -19.291 -4.864 1.00 61.03 H new ATOM 0 HG21 ILE A 15 -4.366 -16.909 -5.486 1.00 25.12 H new ATOM 0 HG22 ILE A 15 -3.677 -15.625 -4.464 1.00 25.12 H new ATOM 0 HG23 ILE A 15 -2.859 -16.097 -5.972 1.00 25.12 H new ATOM 0 HD11 ILE A 15 -3.216 -20.644 -5.868 1.00 53.34 H new ATOM 0 HD12 ILE A 15 -3.670 -20.147 -4.221 1.00 53.34 H new ATOM 0 HD13 ILE A 15 -4.382 -19.322 -5.627 1.00 53.34 H new ATOM 253 N LEU A 16 -2.013 -15.781 -1.751 1.00 44.55 N ATOM 254 CA LEU A 16 -2.350 -14.636 -0.876 1.00 44.01 C ATOM 255 C LEU A 16 -1.109 -13.778 -0.588 1.00 25.53 C ATOM 256 O LEU A 16 -1.210 -12.564 -0.522 1.00 72.34 O ATOM 257 CB LEU A 16 -2.987 -15.087 0.475 1.00 33.43 C ATOM 258 CG LEU A 16 -4.241 -16.028 0.416 1.00 2.53 C ATOM 259 CD1 LEU A 16 -4.976 -16.118 1.779 1.00 20.30 C ATOM 260 CD2 LEU A 16 -5.201 -15.652 -0.736 1.00 12.14 C ATOM 0 H LEU A 16 -2.190 -16.689 -1.321 1.00 44.55 H new ATOM 0 HA LEU A 16 -3.087 -14.044 -1.419 1.00 44.01 H new ATOM 0 HB2 LEU A 16 -2.216 -15.593 1.056 1.00 33.43 H new ATOM 0 HB3 LEU A 16 -3.267 -14.191 1.029 1.00 33.43 H new ATOM 0 HG LEU A 16 -3.865 -17.028 0.198 1.00 2.53 H new ATOM 0 HD11 LEU A 16 -5.836 -16.781 1.685 1.00 20.30 H new ATOM 0 HD12 LEU A 16 -4.295 -16.511 2.534 1.00 20.30 H new ATOM 0 HD13 LEU A 16 -5.314 -15.125 2.076 1.00 20.30 H new ATOM 0 HD21 LEU A 16 -6.053 -16.331 -0.736 1.00 12.14 H new ATOM 0 HD22 LEU A 16 -5.552 -14.629 -0.598 1.00 12.14 H new ATOM 0 HD23 LEU A 16 -4.675 -15.730 -1.688 1.00 12.14 H new ATOM 272 N ALA A 17 0.052 -14.433 -0.428 1.00 21.22 N ATOM 273 CA ALA A 17 1.343 -13.743 -0.224 1.00 33.21 C ATOM 274 C ALA A 17 1.849 -13.111 -1.547 1.00 31.04 C ATOM 275 O ALA A 17 2.176 -11.927 -1.588 1.00 74.33 O ATOM 276 CB ALA A 17 2.377 -14.720 0.354 1.00 73.25 C ATOM 0 H ALA A 17 0.126 -15.450 -0.436 1.00 21.22 H new ATOM 0 HA ALA A 17 1.196 -12.934 0.491 1.00 33.21 H new ATOM 0 HB1 ALA A 17 3.325 -14.202 0.501 1.00 73.25 H new ATOM 0 HB2 ALA A 17 2.021 -15.103 1.310 1.00 73.25 H new ATOM 0 HB3 ALA A 17 2.520 -15.550 -0.338 1.00 73.25 H new ATOM 282 N ALA A 18 1.851 -13.914 -2.627 1.00 3.31 N ATOM 283 CA ALA A 18 2.325 -13.495 -3.977 1.00 74.31 C ATOM 284 C ALA A 18 1.602 -12.236 -4.515 1.00 44.14 C ATOM 285 O ALA A 18 2.182 -11.465 -5.285 1.00 42.31 O ATOM 286 CB ALA A 18 2.181 -14.656 -4.977 1.00 70.11 C ATOM 0 H ALA A 18 1.523 -14.880 -2.597 1.00 3.31 H new ATOM 0 HA ALA A 18 3.376 -13.229 -3.867 1.00 74.31 H new ATOM 0 HB1 ALA A 18 2.531 -14.336 -5.959 1.00 70.11 H new ATOM 0 HB2 ALA A 18 2.776 -15.504 -4.638 1.00 70.11 H new ATOM 0 HB3 ALA A 18 1.134 -14.951 -5.043 1.00 70.11 H new ATOM 292 N ILE A 19 0.332 -12.040 -4.113 1.00 14.22 N ATOM 293 CA ILE A 19 -0.408 -10.801 -4.421 1.00 71.54 C ATOM 294 C ILE A 19 -0.154 -9.711 -3.356 1.00 11.33 C ATOM 295 O ILE A 19 0.005 -8.553 -3.705 1.00 3.42 O ATOM 296 CB ILE A 19 -1.953 -11.058 -4.664 1.00 43.13 C ATOM 297 CG1 ILE A 19 -2.683 -11.716 -3.438 1.00 3.04 C ATOM 298 CG2 ILE A 19 -2.165 -11.893 -5.953 1.00 63.51 C ATOM 299 CD1 ILE A 19 -3.202 -10.733 -2.407 1.00 74.50 C ATOM 0 H ILE A 19 -0.202 -12.722 -3.575 1.00 14.22 H new ATOM 0 HA ILE A 19 -0.016 -10.425 -5.366 1.00 71.54 H new ATOM 0 HB ILE A 19 -2.413 -10.078 -4.790 1.00 43.13 H new ATOM 0 HG12 ILE A 19 -3.519 -12.310 -3.807 1.00 3.04 H new ATOM 0 HG13 ILE A 19 -1.994 -12.404 -2.949 1.00 3.04 H new ATOM 0 HG21 ILE A 19 -3.231 -12.061 -6.106 1.00 63.51 H new ATOM 0 HG22 ILE A 19 -1.756 -11.353 -6.807 1.00 63.51 H new ATOM 0 HG23 ILE A 19 -1.657 -12.852 -5.853 1.00 63.51 H new ATOM 0 HD11 ILE A 19 -3.690 -11.277 -1.599 1.00 74.50 H new ATOM 0 HD12 ILE A 19 -2.370 -10.155 -2.005 1.00 74.50 H new ATOM 0 HD13 ILE A 19 -3.919 -10.059 -2.876 1.00 74.50 H new ATOM 311 N ALA A 20 -0.052 -10.118 -2.075 1.00 75.12 N ATOM 312 CA ALA A 20 0.022 -9.194 -0.912 1.00 41.24 C ATOM 313 C ALA A 20 1.252 -8.282 -0.941 1.00 63.32 C ATOM 314 O ALA A 20 1.102 -7.069 -0.863 1.00 44.33 O ATOM 315 CB ALA A 20 -0.017 -9.977 0.412 1.00 62.12 C ATOM 0 H ALA A 20 -0.018 -11.102 -1.810 1.00 75.12 H new ATOM 0 HA ALA A 20 -0.855 -8.550 -0.984 1.00 41.24 H new ATOM 0 HB1 ALA A 20 0.038 -9.280 1.248 1.00 62.12 H new ATOM 0 HB2 ALA A 20 -0.946 -10.543 0.472 1.00 62.12 H new ATOM 0 HB3 ALA A 20 0.829 -10.663 0.454 1.00 62.12 H new ATOM 321 N ILE A 21 2.455 -8.876 -1.063 1.00 53.52 N ATOM 322 CA ILE A 21 3.733 -8.122 -0.998 1.00 34.31 C ATOM 323 C ILE A 21 3.807 -6.965 -2.060 1.00 33.34 C ATOM 324 O ILE A 21 4.016 -5.815 -1.663 1.00 14.10 O ATOM 325 CB ILE A 21 5.016 -9.067 -1.054 1.00 32.43 C ATOM 326 CG1 ILE A 21 5.194 -9.890 0.274 1.00 54.13 C ATOM 327 CG2 ILE A 21 6.303 -8.259 -1.376 1.00 44.21 C ATOM 328 CD1 ILE A 21 4.261 -11.078 0.460 1.00 34.45 C ATOM 0 H ILE A 21 2.574 -9.879 -1.208 1.00 53.52 H new ATOM 0 HA ILE A 21 3.744 -7.648 -0.017 1.00 34.31 H new ATOM 0 HB ILE A 21 4.851 -9.777 -1.864 1.00 32.43 H new ATOM 0 HG12 ILE A 21 6.221 -10.251 0.318 1.00 54.13 H new ATOM 0 HG13 ILE A 21 5.058 -9.213 1.117 1.00 54.13 H new ATOM 0 HG21 ILE A 21 7.158 -8.934 -1.406 1.00 44.21 H new ATOM 0 HG22 ILE A 21 6.193 -7.769 -2.343 1.00 44.21 H new ATOM 0 HG23 ILE A 21 6.462 -7.506 -0.604 1.00 44.21 H new ATOM 0 HD11 ILE A 21 4.478 -11.566 1.410 1.00 34.45 H new ATOM 0 HD12 ILE A 21 3.227 -10.733 0.458 1.00 34.45 H new ATOM 0 HD13 ILE A 21 4.408 -11.787 -0.354 1.00 34.45 H new ATOM 340 N PRO A 22 3.608 -7.213 -3.404 1.00 3.40 N ATOM 341 CA PRO A 22 3.595 -6.116 -4.424 1.00 1.52 C ATOM 342 C PRO A 22 2.418 -5.123 -4.242 1.00 54.22 C ATOM 343 O PRO A 22 2.577 -3.915 -4.436 1.00 4.53 O ATOM 344 CB PRO A 22 3.458 -6.864 -5.767 1.00 13.42 C ATOM 345 CG PRO A 22 2.849 -8.184 -5.403 1.00 75.22 C ATOM 346 CD PRO A 22 3.416 -8.539 -4.053 1.00 14.14 C ATOM 0 HA PRO A 22 4.491 -5.500 -4.347 1.00 1.52 H new ATOM 0 HB2 PRO A 22 2.826 -6.314 -6.464 1.00 13.42 H new ATOM 0 HB3 PRO A 22 4.427 -6.994 -6.249 1.00 13.42 H new ATOM 0 HG2 PRO A 22 1.762 -8.116 -5.365 1.00 75.22 H new ATOM 0 HG3 PRO A 22 3.095 -8.946 -6.143 1.00 75.22 H new ATOM 0 HD2 PRO A 22 2.734 -9.171 -3.484 1.00 14.14 H new ATOM 0 HD3 PRO A 22 4.356 -9.084 -4.142 1.00 14.14 H new ATOM 354 N GLN A 23 1.241 -5.674 -3.891 1.00 43.15 N ATOM 355 CA GLN A 23 -0.013 -4.897 -3.687 1.00 65.51 C ATOM 356 C GLN A 23 0.172 -3.860 -2.570 1.00 52.41 C ATOM 357 O GLN A 23 -0.202 -2.694 -2.713 1.00 42.42 O ATOM 358 CB GLN A 23 -1.161 -5.869 -3.298 1.00 51.43 C ATOM 359 CG GLN A 23 -2.518 -5.226 -2.923 1.00 12.42 C ATOM 360 CD GLN A 23 -3.472 -6.187 -2.200 1.00 43.52 C ATOM 361 OE1 GLN A 23 -4.682 -6.119 -2.356 1.00 44.30 O ATOM 362 NE2 GLN A 23 -2.940 -7.068 -1.361 1.00 51.04 N ATOM 0 H GLN A 23 1.124 -6.676 -3.738 1.00 43.15 H new ATOM 0 HA GLN A 23 -0.259 -4.377 -4.613 1.00 65.51 H new ATOM 0 HB2 GLN A 23 -1.326 -6.551 -4.132 1.00 51.43 H new ATOM 0 HB3 GLN A 23 -0.825 -6.472 -2.454 1.00 51.43 H new ATOM 0 HG2 GLN A 23 -2.337 -4.359 -2.287 1.00 12.42 H new ATOM 0 HG3 GLN A 23 -3.001 -4.861 -3.829 1.00 12.42 H new ATOM 0 HE21 GLN A 23 -1.928 -7.112 -1.242 1.00 51.04 H new ATOM 0 HE22 GLN A 23 -3.543 -7.701 -0.836 1.00 51.04 H new ATOM 371 N PHE A 24 0.815 -4.311 -1.485 1.00 40.12 N ATOM 372 CA PHE A 24 0.950 -3.523 -0.233 1.00 1.23 C ATOM 373 C PHE A 24 2.191 -2.617 -0.274 1.00 22.41 C ATOM 374 O PHE A 24 2.204 -1.571 0.378 1.00 13.02 O ATOM 375 CB PHE A 24 0.976 -4.426 1.033 1.00 45.53 C ATOM 376 CG PHE A 24 -0.379 -5.071 1.383 1.00 71.14 C ATOM 377 CD1 PHE A 24 -1.564 -4.329 1.316 1.00 10.13 C ATOM 378 CD2 PHE A 24 -0.469 -6.408 1.781 1.00 74.32 C ATOM 379 CE1 PHE A 24 -2.784 -4.902 1.632 1.00 55.54 C ATOM 380 CE2 PHE A 24 -1.690 -6.977 2.096 1.00 74.22 C ATOM 381 CZ PHE A 24 -2.846 -6.227 2.022 1.00 13.12 C ATOM 0 H PHE A 24 1.258 -5.229 -1.441 1.00 40.12 H new ATOM 0 HA PHE A 24 0.064 -2.892 -0.166 1.00 1.23 H new ATOM 0 HB2 PHE A 24 1.713 -5.215 0.886 1.00 45.53 H new ATOM 0 HB3 PHE A 24 1.311 -3.831 1.882 1.00 45.53 H new ATOM 0 HD1 PHE A 24 -1.526 -3.293 1.013 1.00 10.13 H new ATOM 0 HD2 PHE A 24 0.428 -7.006 1.844 1.00 74.32 H new ATOM 0 HE1 PHE A 24 -3.688 -4.314 1.574 1.00 55.54 H new ATOM 0 HE2 PHE A 24 -1.739 -8.012 2.401 1.00 74.22 H new ATOM 0 HZ PHE A 24 -3.798 -6.674 2.268 1.00 13.12 H new ATOM 391 N SER A 25 3.232 -3.028 -1.029 1.00 21.21 N ATOM 392 CA SER A 25 4.360 -2.131 -1.372 1.00 33.10 C ATOM 393 C SER A 25 3.832 -0.914 -2.144 1.00 42.34 C ATOM 394 O SER A 25 3.908 0.206 -1.658 1.00 21.33 O ATOM 395 CB SER A 25 5.443 -2.865 -2.203 1.00 13.14 C ATOM 396 OG SER A 25 6.060 -3.895 -1.452 1.00 74.22 O ATOM 0 H SER A 25 3.316 -3.970 -1.412 1.00 21.21 H new ATOM 0 HA SER A 25 4.827 -1.802 -0.444 1.00 33.10 H new ATOM 0 HB2 SER A 25 4.991 -3.288 -3.100 1.00 13.14 H new ATOM 0 HB3 SER A 25 6.198 -2.151 -2.532 1.00 13.14 H new ATOM 0 HG SER A 25 5.467 -4.674 -1.416 1.00 74.22 H new ATOM 402 N ALA A 26 3.190 -1.187 -3.298 1.00 51.31 N ATOM 403 CA ALA A 26 2.612 -0.152 -4.192 1.00 21.42 C ATOM 404 C ALA A 26 1.493 0.675 -3.506 1.00 10.00 C ATOM 405 O ALA A 26 1.267 1.830 -3.874 1.00 51.24 O ATOM 406 CB ALA A 26 2.083 -0.806 -5.480 1.00 31.50 C ATOM 0 H ALA A 26 3.055 -2.138 -3.642 1.00 51.31 H new ATOM 0 HA ALA A 26 3.413 0.546 -4.437 1.00 21.42 H new ATOM 0 HB1 ALA A 26 1.661 -0.040 -6.130 1.00 31.50 H new ATOM 0 HB2 ALA A 26 2.901 -1.309 -5.995 1.00 31.50 H new ATOM 0 HB3 ALA A 26 1.312 -1.534 -5.228 1.00 31.50 H new ATOM 412 N TYR A 27 0.808 0.070 -2.510 1.00 4.30 N ATOM 413 CA TYR A 27 -0.234 0.751 -1.702 1.00 41.21 C ATOM 414 C TYR A 27 0.394 1.807 -0.774 1.00 52.43 C ATOM 415 O TYR A 27 -0.016 2.965 -0.760 1.00 4.32 O ATOM 416 CB TYR A 27 -1.011 -0.284 -0.854 1.00 30.10 C ATOM 417 CG TYR A 27 -2.107 0.314 0.054 1.00 43.35 C ATOM 418 CD1 TYR A 27 -3.210 0.982 -0.495 1.00 65.41 C ATOM 419 CD2 TYR A 27 -2.033 0.222 1.450 1.00 65.23 C ATOM 420 CE1 TYR A 27 -4.190 1.527 0.310 1.00 62.14 C ATOM 421 CE2 TYR A 27 -3.015 0.769 2.251 1.00 21.02 C ATOM 422 CZ TYR A 27 -4.087 1.416 1.679 1.00 21.13 C ATOM 423 OH TYR A 27 -5.068 1.955 2.478 1.00 53.11 O ATOM 0 H TYR A 27 0.960 -0.902 -2.242 1.00 4.30 H new ATOM 0 HA TYR A 27 -0.920 1.250 -2.386 1.00 41.21 H new ATOM 0 HB2 TYR A 27 -1.471 -1.010 -1.524 1.00 30.10 H new ATOM 0 HB3 TYR A 27 -0.301 -0.829 -0.232 1.00 30.10 H new ATOM 0 HD1 TYR A 27 -3.295 1.072 -1.568 1.00 65.41 H new ATOM 0 HD2 TYR A 27 -1.195 -0.284 1.906 1.00 65.23 H new ATOM 0 HE1 TYR A 27 -5.033 2.038 -0.131 1.00 62.14 H new ATOM 0 HE2 TYR A 27 -2.942 0.689 3.326 1.00 21.02 H new ATOM 0 HH TYR A 27 -4.850 1.792 3.419 1.00 53.11 H new ATOM 433 N ARG A 28 1.393 1.375 0.011 1.00 40.33 N ATOM 434 CA ARG A 28 2.114 2.253 0.952 1.00 45.13 C ATOM 435 C ARG A 28 3.032 3.238 0.213 1.00 54.34 C ATOM 436 O ARG A 28 3.402 4.259 0.775 1.00 44.32 O ATOM 437 CB ARG A 28 2.934 1.399 1.953 1.00 24.12 C ATOM 438 CG ARG A 28 2.076 0.484 2.854 1.00 72.23 C ATOM 439 CD ARG A 28 2.927 -0.410 3.774 1.00 73.10 C ATOM 440 NE ARG A 28 3.791 0.377 4.676 1.00 20.45 N ATOM 441 CZ ARG A 28 4.698 -0.124 5.488 1.00 14.23 C ATOM 442 NH1 ARG A 28 4.876 -1.406 5.610 1.00 42.31 N ATOM 443 NH2 ARG A 28 5.422 0.670 6.198 1.00 1.51 N ATOM 0 H ARG A 28 1.725 0.410 0.013 1.00 40.33 H new ATOM 0 HA ARG A 28 1.375 2.838 1.500 1.00 45.13 H new ATOM 0 HB2 ARG A 28 3.640 0.783 1.395 1.00 24.12 H new ATOM 0 HB3 ARG A 28 3.522 2.065 2.585 1.00 24.12 H new ATOM 0 HG2 ARG A 28 1.413 1.099 3.463 1.00 72.23 H new ATOM 0 HG3 ARG A 28 1.442 -0.144 2.228 1.00 72.23 H new ATOM 0 HD2 ARG A 28 2.270 -1.047 4.367 1.00 73.10 H new ATOM 0 HD3 ARG A 28 3.546 -1.069 3.165 1.00 73.10 H new ATOM 0 HE ARG A 28 3.676 1.390 4.670 1.00 20.45 H new ATOM 0 HH11 ARG A 28 4.305 -2.054 5.068 1.00 42.31 H new ATOM 0 HH12 ARG A 28 5.587 -1.764 6.248 1.00 42.31 H new ATOM 0 HH21 ARG A 28 5.290 1.679 6.129 1.00 1.51 H new ATOM 0 HH22 ARG A 28 6.127 0.290 6.830 1.00 1.51 H new ATOM 457 N VAL A 29 3.391 2.918 -1.045 1.00 14.34 N ATOM 458 CA VAL A 29 4.185 3.830 -1.912 1.00 23.24 C ATOM 459 C VAL A 29 3.296 4.950 -2.465 1.00 64.21 C ATOM 460 O VAL A 29 3.683 6.123 -2.441 1.00 32.25 O ATOM 461 CB VAL A 29 4.921 3.067 -3.091 1.00 2.12 C ATOM 462 CG1 VAL A 29 5.461 4.027 -4.189 1.00 4.45 C ATOM 463 CG2 VAL A 29 6.071 2.197 -2.536 1.00 2.32 C ATOM 0 H VAL A 29 3.146 2.034 -1.491 1.00 14.34 H new ATOM 0 HA VAL A 29 4.964 4.266 -1.286 1.00 23.24 H new ATOM 0 HB VAL A 29 4.174 2.429 -3.564 1.00 2.12 H new ATOM 0 HG11 VAL A 29 5.954 3.447 -4.969 1.00 4.45 H new ATOM 0 HG12 VAL A 29 4.632 4.587 -4.623 1.00 4.45 H new ATOM 0 HG13 VAL A 29 6.175 4.721 -3.746 1.00 4.45 H new ATOM 0 HG21 VAL A 29 6.566 1.680 -3.358 1.00 2.32 H new ATOM 0 HG22 VAL A 29 6.792 2.832 -2.021 1.00 2.32 H new ATOM 0 HG23 VAL A 29 5.668 1.464 -1.837 1.00 2.32 H new ATOM 473 N LYS A 30 2.093 4.578 -2.932 1.00 4.43 N ATOM 474 CA LYS A 30 1.116 5.551 -3.467 1.00 10.55 C ATOM 475 C LYS A 30 0.529 6.404 -2.325 1.00 11.15 C ATOM 476 O LYS A 30 0.112 7.527 -2.560 1.00 30.32 O ATOM 477 CB LYS A 30 -0.030 4.852 -4.260 1.00 3.20 C ATOM 478 CG LYS A 30 -1.195 4.302 -3.402 1.00 53.42 C ATOM 479 CD LYS A 30 -2.245 3.521 -4.217 1.00 73.51 C ATOM 480 CE LYS A 30 -2.902 4.371 -5.322 1.00 63.02 C ATOM 481 NZ LYS A 30 -3.907 3.593 -6.092 1.00 22.41 N ATOM 0 H LYS A 30 1.770 3.611 -2.951 1.00 4.43 H new ATOM 0 HA LYS A 30 1.649 6.199 -4.163 1.00 10.55 H new ATOM 0 HB2 LYS A 30 -0.436 5.563 -4.980 1.00 3.20 H new ATOM 0 HB3 LYS A 30 0.397 4.028 -4.832 1.00 3.20 H new ATOM 0 HG2 LYS A 30 -0.789 3.650 -2.628 1.00 53.42 H new ATOM 0 HG3 LYS A 30 -1.685 5.133 -2.894 1.00 53.42 H new ATOM 0 HD2 LYS A 30 -1.771 2.650 -4.669 1.00 73.51 H new ATOM 0 HD3 LYS A 30 -3.018 3.150 -3.544 1.00 73.51 H new ATOM 0 HE2 LYS A 30 -3.381 5.242 -4.874 1.00 63.02 H new ATOM 0 HE3 LYS A 30 -2.134 4.743 -6.000 1.00 63.02 H new ATOM 0 HZ1 LYS A 30 -4.327 4.199 -6.826 1.00 22.41 H new ATOM 0 HZ2 LYS A 30 -3.445 2.776 -6.540 1.00 22.41 H new ATOM 0 HZ3 LYS A 30 -4.654 3.259 -5.450 1.00 22.41 H new ATOM 495 N ALA A 31 0.504 5.840 -1.086 1.00 13.43 N ATOM 496 CA ALA A 31 0.007 6.550 0.115 1.00 4.22 C ATOM 497 C ALA A 31 1.095 7.463 0.685 1.00 40.21 C ATOM 498 O ALA A 31 0.795 8.522 1.240 1.00 54.25 O ATOM 499 CB ALA A 31 -0.464 5.564 1.188 1.00 13.02 C ATOM 0 H ALA A 31 0.825 4.890 -0.898 1.00 13.43 H new ATOM 0 HA ALA A 31 -0.846 7.158 -0.188 1.00 4.22 H new ATOM 0 HB1 ALA A 31 -0.823 6.116 2.057 1.00 13.02 H new ATOM 0 HB2 ALA A 31 -1.272 4.950 0.789 1.00 13.02 H new ATOM 0 HB3 ALA A 31 0.367 4.923 1.483 1.00 13.02 H new ATOM 505 N TYR A 32 2.363 7.028 0.545 1.00 42.13 N ATOM 506 CA TYR A 32 3.537 7.835 0.936 1.00 75.42 C ATOM 507 C TYR A 32 3.610 9.068 0.039 1.00 73.13 C ATOM 508 O TYR A 32 3.752 10.174 0.509 1.00 64.11 O ATOM 509 CB TYR A 32 4.845 6.997 0.834 1.00 4.41 C ATOM 510 CG TYR A 32 6.071 7.622 1.524 1.00 4.31 C ATOM 511 CD1 TYR A 32 6.209 7.570 2.917 1.00 51.23 C ATOM 512 CD2 TYR A 32 7.090 8.246 0.798 1.00 72.24 C ATOM 513 CE1 TYR A 32 7.312 8.110 3.549 1.00 24.21 C ATOM 514 CE2 TYR A 32 8.192 8.787 1.431 1.00 61.44 C ATOM 515 CZ TYR A 32 8.300 8.717 2.804 1.00 13.15 C ATOM 516 OH TYR A 32 9.404 9.251 3.433 1.00 70.23 O ATOM 0 H TYR A 32 2.602 6.114 0.161 1.00 42.13 H new ATOM 0 HA TYR A 32 3.431 8.148 1.975 1.00 75.42 H new ATOM 0 HB2 TYR A 32 4.664 6.014 1.268 1.00 4.41 H new ATOM 0 HB3 TYR A 32 5.079 6.842 -0.219 1.00 4.41 H new ATOM 0 HD1 TYR A 32 5.438 7.099 3.508 1.00 51.23 H new ATOM 0 HD2 TYR A 32 7.014 8.306 -0.278 1.00 72.24 H new ATOM 0 HE1 TYR A 32 7.400 8.057 4.624 1.00 24.21 H new ATOM 0 HE2 TYR A 32 8.968 9.264 0.851 1.00 61.44 H new ATOM 0 HH TYR A 32 10.005 9.640 2.764 1.00 70.23 H new ATOM 526 N ASN A 33 3.441 8.821 -1.259 1.00 1.43 N ATOM 527 CA ASN A 33 3.411 9.846 -2.319 1.00 51.41 C ATOM 528 C ASN A 33 2.176 10.769 -2.197 1.00 12.32 C ATOM 529 O ASN A 33 2.305 11.983 -2.324 1.00 74.40 O ATOM 530 CB ASN A 33 3.430 9.137 -3.693 1.00 12.22 C ATOM 531 CG ASN A 33 3.465 10.092 -4.891 1.00 2.43 C ATOM 532 OD1 ASN A 33 4.526 10.502 -5.344 1.00 52.42 O ATOM 533 ND2 ASN A 33 2.310 10.466 -5.407 1.00 65.23 N ATOM 0 H ASN A 33 3.317 7.875 -1.620 1.00 1.43 H new ATOM 0 HA ASN A 33 4.289 10.484 -2.215 1.00 51.41 H new ATOM 0 HB2 ASN A 33 4.300 8.482 -3.739 1.00 12.22 H new ATOM 0 HB3 ASN A 33 2.548 8.502 -3.774 1.00 12.22 H new ATOM 0 HD21 ASN A 33 2.289 11.109 -6.199 1.00 65.23 H new ATOM 0 HD22 ASN A 33 1.438 10.112 -5.014 1.00 65.23 H new ATOM 540 N SER A 34 0.989 10.174 -1.962 1.00 55.11 N ATOM 541 CA SER A 34 -0.293 10.926 -1.839 1.00 20.54 C ATOM 542 C SER A 34 -0.289 11.872 -0.624 1.00 52.42 C ATOM 543 O SER A 34 -0.499 13.079 -0.768 1.00 40.33 O ATOM 544 CB SER A 34 -1.496 9.958 -1.727 1.00 42.11 C ATOM 545 OG SER A 34 -2.727 10.648 -1.557 1.00 11.22 O ATOM 0 H SER A 34 0.884 9.165 -1.851 1.00 55.11 H new ATOM 0 HA SER A 34 -0.392 11.525 -2.744 1.00 20.54 H new ATOM 0 HB2 SER A 34 -1.548 9.341 -2.624 1.00 42.11 H new ATOM 0 HB3 SER A 34 -1.340 9.284 -0.885 1.00 42.11 H new ATOM 0 HG SER A 34 -3.459 10.000 -1.492 1.00 11.22 H new ATOM 551 N ALA A 35 -0.050 11.298 0.569 1.00 34.33 N ATOM 552 CA ALA A 35 -0.026 12.052 1.836 1.00 45.30 C ATOM 553 C ALA A 35 1.143 13.054 1.889 1.00 1.11 C ATOM 554 O ALA A 35 0.980 14.138 2.437 1.00 51.24 O ATOM 555 CB ALA A 35 0.034 11.103 3.036 1.00 21.33 C ATOM 0 H ALA A 35 0.132 10.301 0.682 1.00 34.33 H new ATOM 0 HA ALA A 35 -0.954 12.622 1.885 1.00 45.30 H new ATOM 0 HB1 ALA A 35 0.051 11.683 3.958 1.00 21.33 H new ATOM 0 HB2 ALA A 35 -0.842 10.455 3.031 1.00 21.33 H new ATOM 0 HB3 ALA A 35 0.936 10.494 2.974 1.00 21.33 H new ATOM 561 N ALA A 36 2.322 12.684 1.317 1.00 24.41 N ATOM 562 CA ALA A 36 3.502 13.602 1.276 1.00 3.24 C ATOM 563 C ALA A 36 3.266 14.787 0.324 1.00 4.14 C ATOM 564 O ALA A 36 3.632 15.914 0.642 1.00 62.41 O ATOM 565 CB ALA A 36 4.788 12.867 0.882 1.00 71.11 C ATOM 0 H ALA A 36 2.483 11.774 0.885 1.00 24.41 H new ATOM 0 HA ALA A 36 3.625 13.987 2.288 1.00 3.24 H new ATOM 0 HB1 ALA A 36 5.619 13.572 0.865 1.00 71.11 H new ATOM 0 HB2 ALA A 36 4.994 12.080 1.608 1.00 71.11 H new ATOM 0 HB3 ALA A 36 4.666 12.425 -0.107 1.00 71.11 H new ATOM 571 N SER A 37 2.645 14.511 -0.844 1.00 72.22 N ATOM 572 CA SER A 37 2.256 15.556 -1.823 1.00 10.21 C ATOM 573 C SER A 37 1.230 16.523 -1.211 1.00 53.21 C ATOM 574 O SER A 37 1.364 17.736 -1.331 1.00 40.14 O ATOM 575 CB SER A 37 1.678 14.928 -3.111 1.00 1.34 C ATOM 576 OG SER A 37 1.282 15.917 -4.054 1.00 71.32 O ATOM 0 H SER A 37 2.400 13.565 -1.135 1.00 72.22 H new ATOM 0 HA SER A 37 3.157 16.112 -2.082 1.00 10.21 H new ATOM 0 HB2 SER A 37 2.425 14.275 -3.563 1.00 1.34 H new ATOM 0 HB3 SER A 37 0.821 14.305 -2.857 1.00 1.34 H new ATOM 0 HG SER A 37 0.923 15.480 -4.855 1.00 71.32 H new ATOM 582 N SER A 38 0.229 15.961 -0.516 1.00 72.20 N ATOM 583 CA SER A 38 -0.822 16.753 0.168 1.00 21.32 C ATOM 584 C SER A 38 -0.274 17.486 1.400 1.00 24.23 C ATOM 585 O SER A 38 -0.819 18.508 1.802 1.00 40.43 O ATOM 586 CB SER A 38 -2.011 15.858 0.578 1.00 54.33 C ATOM 587 OG SER A 38 -2.644 15.279 -0.546 1.00 41.12 O ATOM 0 H SER A 38 0.119 14.953 -0.409 1.00 72.20 H new ATOM 0 HA SER A 38 -1.169 17.500 -0.545 1.00 21.32 H new ATOM 0 HB2 SER A 38 -1.660 15.070 1.244 1.00 54.33 H new ATOM 0 HB3 SER A 38 -2.735 16.449 1.138 1.00 54.33 H new ATOM 0 HG SER A 38 -2.130 14.500 -0.846 1.00 41.12 H new ATOM 593 N ASP A 39 0.791 16.941 1.996 1.00 41.02 N ATOM 594 CA ASP A 39 1.527 17.596 3.092 1.00 73.14 C ATOM 595 C ASP A 39 2.230 18.880 2.580 1.00 31.04 C ATOM 596 O ASP A 39 2.047 19.958 3.140 1.00 64.10 O ATOM 597 CB ASP A 39 2.561 16.603 3.670 1.00 10.00 C ATOM 598 CG ASP A 39 3.334 17.133 4.883 1.00 31.11 C ATOM 599 OD1 ASP A 39 2.784 17.120 5.998 1.00 31.45 O ATOM 600 OD2 ASP A 39 4.491 17.568 4.726 1.00 55.44 O ATOM 0 H ASP A 39 1.171 16.031 1.734 1.00 41.02 H new ATOM 0 HA ASP A 39 0.829 17.886 3.877 1.00 73.14 H new ATOM 0 HB2 ASP A 39 2.046 15.685 3.954 1.00 10.00 H new ATOM 0 HB3 ASP A 39 3.272 16.340 2.887 1.00 10.00 H new ATOM 605 N LEU A 40 2.996 18.761 1.474 1.00 13.22 N ATOM 606 CA LEU A 40 3.814 19.888 0.943 1.00 43.22 C ATOM 607 C LEU A 40 2.961 20.905 0.163 1.00 4.13 C ATOM 608 O LEU A 40 3.395 22.031 -0.088 1.00 41.04 O ATOM 609 CB LEU A 40 5.036 19.362 0.121 1.00 24.33 C ATOM 610 CG LEU A 40 4.765 18.351 -1.050 1.00 2.44 C ATOM 611 CD1 LEU A 40 4.237 19.032 -2.328 1.00 33.30 C ATOM 612 CD2 LEU A 40 6.014 17.494 -1.351 1.00 63.44 C ATOM 0 H LEU A 40 3.069 17.902 0.929 1.00 13.22 H new ATOM 0 HA LEU A 40 4.219 20.433 1.796 1.00 43.22 H new ATOM 0 HB2 LEU A 40 5.552 20.226 -0.298 1.00 24.33 H new ATOM 0 HB3 LEU A 40 5.726 18.886 0.818 1.00 24.33 H new ATOM 0 HG LEU A 40 3.970 17.691 -0.703 1.00 2.44 H new ATOM 0 HD11 LEU A 40 4.070 18.280 -3.099 1.00 33.30 H new ATOM 0 HD12 LEU A 40 3.298 19.541 -2.108 1.00 33.30 H new ATOM 0 HD13 LEU A 40 4.969 19.758 -2.682 1.00 33.30 H new ATOM 0 HD21 LEU A 40 5.794 16.804 -2.166 1.00 63.44 H new ATOM 0 HD22 LEU A 40 6.841 18.144 -1.638 1.00 63.44 H new ATOM 0 HD23 LEU A 40 6.290 16.928 -0.461 1.00 63.44 H new ATOM 624 N ARG A 41 1.759 20.472 -0.251 1.00 23.24 N ATOM 625 CA ARG A 41 0.753 21.362 -0.873 1.00 2.22 C ATOM 626 C ARG A 41 -0.093 22.106 0.179 1.00 35.12 C ATOM 627 O ARG A 41 -0.060 23.329 0.208 1.00 23.42 O ATOM 628 CB ARG A 41 -0.141 20.599 -1.900 1.00 74.53 C ATOM 629 CG ARG A 41 0.621 20.153 -3.174 1.00 61.23 C ATOM 630 CD ARG A 41 1.263 21.337 -3.924 1.00 24.25 C ATOM 631 NE ARG A 41 2.203 20.903 -4.967 1.00 51.35 N ATOM 632 CZ ARG A 41 2.808 21.698 -5.824 1.00 72.40 C ATOM 633 NH1 ARG A 41 2.529 22.964 -5.902 1.00 32.12 N ATOM 634 NH2 ARG A 41 3.684 21.209 -6.634 1.00 44.52 N ATOM 0 H ARG A 41 1.454 19.502 -0.167 1.00 23.24 H new ATOM 0 HA ARG A 41 1.305 22.120 -1.428 1.00 2.22 H new ATOM 0 HB2 ARG A 41 -0.568 19.721 -1.416 1.00 74.53 H new ATOM 0 HB3 ARG A 41 -0.974 21.239 -2.190 1.00 74.53 H new ATOM 0 HG2 ARG A 41 1.397 19.439 -2.898 1.00 61.23 H new ATOM 0 HG3 ARG A 41 -0.067 19.634 -3.842 1.00 61.23 H new ATOM 0 HD2 ARG A 41 0.479 21.944 -4.377 1.00 24.25 H new ATOM 0 HD3 ARG A 41 1.786 21.973 -3.210 1.00 24.25 H new ATOM 0 HE ARG A 41 2.403 19.905 -5.032 1.00 51.35 H new ATOM 0 HH11 ARG A 41 1.823 23.369 -5.288 1.00 32.12 H new ATOM 0 HH12 ARG A 41 3.016 23.553 -6.577 1.00 32.12 H new ATOM 0 HH21 ARG A 41 3.903 20.213 -6.607 1.00 44.52 H new ATOM 0 HH22 ARG A 41 4.158 21.818 -7.301 1.00 44.52 H new ATOM 648 N ASN A 42 -0.815 21.367 1.056 1.00 53.41 N ATOM 649 CA ASN A 42 -1.766 21.970 2.042 1.00 14.02 C ATOM 650 C ASN A 42 -1.047 22.939 3.019 1.00 53.41 C ATOM 651 O ASN A 42 -1.538 24.037 3.275 1.00 44.10 O ATOM 652 CB ASN A 42 -2.521 20.859 2.840 1.00 12.24 C ATOM 653 CG ASN A 42 -3.735 21.347 3.659 1.00 13.13 C ATOM 654 OD1 ASN A 42 -3.843 22.498 4.058 1.00 62.35 O ATOM 655 ND2 ASN A 42 -4.652 20.450 3.957 1.00 32.34 N ATOM 0 H ASN A 42 -0.762 20.350 1.106 1.00 53.41 H new ATOM 0 HA ASN A 42 -2.493 22.549 1.473 1.00 14.02 H new ATOM 0 HB2 ASN A 42 -2.859 20.097 2.138 1.00 12.24 H new ATOM 0 HB3 ASN A 42 -1.816 20.378 3.518 1.00 12.24 H new ATOM 0 HD21 ASN A 42 -5.458 20.714 4.524 1.00 32.34 H new ATOM 0 HD22 ASN A 42 -4.556 19.492 3.621 1.00 32.34 H new ATOM 662 N LEU A 43 0.142 22.544 3.511 1.00 41.24 N ATOM 663 CA LEU A 43 0.883 23.330 4.531 1.00 23.51 C ATOM 664 C LEU A 43 1.542 24.575 3.913 1.00 73.51 C ATOM 665 O LEU A 43 1.732 25.582 4.594 1.00 73.03 O ATOM 666 CB LEU A 43 1.955 22.453 5.226 1.00 21.43 C ATOM 667 CG LEU A 43 1.421 21.245 6.066 1.00 71.51 C ATOM 668 CD1 LEU A 43 2.585 20.416 6.651 1.00 53.21 C ATOM 669 CD2 LEU A 43 0.454 21.708 7.187 1.00 2.31 C ATOM 0 H LEU A 43 0.615 21.687 3.223 1.00 41.24 H new ATOM 0 HA LEU A 43 0.160 23.662 5.276 1.00 23.51 H new ATOM 0 HB2 LEU A 43 2.630 22.067 4.462 1.00 21.43 H new ATOM 0 HB3 LEU A 43 2.547 23.091 5.882 1.00 21.43 H new ATOM 0 HG LEU A 43 0.855 20.605 5.389 1.00 71.51 H new ATOM 0 HD11 LEU A 43 2.184 19.584 7.230 1.00 53.21 H new ATOM 0 HD12 LEU A 43 3.201 20.030 5.839 1.00 53.21 H new ATOM 0 HD13 LEU A 43 3.193 21.048 7.298 1.00 53.21 H new ATOM 0 HD21 LEU A 43 0.105 20.841 7.748 1.00 2.31 H new ATOM 0 HD22 LEU A 43 0.976 22.389 7.859 1.00 2.31 H new ATOM 0 HD23 LEU A 43 -0.399 22.220 6.743 1.00 2.31 H new ATOM 681 N LYS A 44 1.881 24.499 2.618 1.00 61.32 N ATOM 682 CA LYS A 44 2.492 25.628 1.893 1.00 74.34 C ATOM 683 C LYS A 44 1.398 26.641 1.492 1.00 12.43 C ATOM 684 O LYS A 44 1.511 27.833 1.772 1.00 64.41 O ATOM 685 CB LYS A 44 3.249 25.105 0.648 1.00 52.34 C ATOM 686 CG LYS A 44 4.055 26.177 -0.127 1.00 4.20 C ATOM 687 CD LYS A 44 4.899 25.595 -1.287 1.00 52.21 C ATOM 688 CE LYS A 44 4.055 25.080 -2.464 1.00 33.12 C ATOM 689 NZ LYS A 44 3.319 26.174 -3.144 1.00 73.54 N ATOM 0 H LYS A 44 1.743 23.665 2.047 1.00 61.32 H new ATOM 0 HA LYS A 44 3.209 26.134 2.540 1.00 74.34 H new ATOM 0 HB2 LYS A 44 3.932 24.315 0.962 1.00 52.34 H new ATOM 0 HB3 LYS A 44 2.528 24.651 -0.033 1.00 52.34 H new ATOM 0 HG2 LYS A 44 3.365 26.920 -0.527 1.00 4.20 H new ATOM 0 HG3 LYS A 44 4.715 26.696 0.567 1.00 4.20 H new ATOM 0 HD2 LYS A 44 5.582 26.363 -1.649 1.00 52.21 H new ATOM 0 HD3 LYS A 44 5.512 24.778 -0.905 1.00 52.21 H new ATOM 0 HE2 LYS A 44 4.704 24.579 -3.183 1.00 33.12 H new ATOM 0 HE3 LYS A 44 3.345 24.336 -2.102 1.00 33.12 H new ATOM 0 HZ1 LYS A 44 2.817 25.793 -3.971 1.00 73.54 H new ATOM 0 HZ2 LYS A 44 2.632 26.592 -2.485 1.00 73.54 H new ATOM 0 HZ3 LYS A 44 3.991 26.905 -3.453 1.00 73.54 H new ATOM 703 N THR A 45 0.306 26.108 0.907 1.00 25.01 N ATOM 704 CA THR A 45 -0.811 26.908 0.337 1.00 60.44 C ATOM 705 C THR A 45 -1.641 27.599 1.428 1.00 32.33 C ATOM 706 O THR A 45 -2.272 28.616 1.171 1.00 71.11 O ATOM 707 CB THR A 45 -1.746 26.030 -0.568 1.00 64.45 C ATOM 708 OG1 THR A 45 -2.520 26.866 -1.449 1.00 2.43 O ATOM 709 CG2 THR A 45 -2.709 25.142 0.231 1.00 15.42 C ATOM 0 H THR A 45 0.168 25.102 0.813 1.00 25.01 H new ATOM 0 HA THR A 45 -0.351 27.680 -0.280 1.00 60.44 H new ATOM 0 HB THR A 45 -1.082 25.376 -1.134 1.00 64.45 H new ATOM 0 HG1 THR A 45 -3.097 26.306 -2.008 1.00 2.43 H new ATOM 0 HG21 THR A 45 -3.325 24.563 -0.457 1.00 15.42 H new ATOM 0 HG22 THR A 45 -2.138 24.464 0.865 1.00 15.42 H new ATOM 0 HG23 THR A 45 -3.349 25.767 0.853 1.00 15.42 H new ATOM 717 N ALA A 46 -1.655 26.997 2.625 1.00 63.44 N ATOM 718 CA ALA A 46 -2.277 27.594 3.826 1.00 43.04 C ATOM 719 C ALA A 46 -1.601 28.930 4.189 1.00 72.24 C ATOM 720 O ALA A 46 -2.271 29.948 4.354 1.00 72.01 O ATOM 721 CB ALA A 46 -2.216 26.611 5.002 1.00 72.23 C ATOM 0 H ALA A 46 -1.237 26.082 2.793 1.00 63.44 H new ATOM 0 HA ALA A 46 -3.324 27.801 3.605 1.00 43.04 H new ATOM 0 HB1 ALA A 46 -2.678 27.064 5.879 1.00 72.23 H new ATOM 0 HB2 ALA A 46 -2.751 25.698 4.741 1.00 72.23 H new ATOM 0 HB3 ALA A 46 -1.176 26.371 5.222 1.00 72.23 H new ATOM 727 N LEU A 47 -0.261 28.899 4.273 1.00 42.31 N ATOM 728 CA LEU A 47 0.576 30.102 4.526 1.00 51.53 C ATOM 729 C LEU A 47 0.493 31.116 3.346 1.00 3.22 C ATOM 730 O LEU A 47 0.473 32.338 3.572 1.00 24.22 O ATOM 731 CB LEU A 47 2.056 29.681 4.818 1.00 13.10 C ATOM 732 CG LEU A 47 2.380 29.196 6.282 1.00 53.31 C ATOM 733 CD1 LEU A 47 2.248 30.348 7.302 1.00 23.02 C ATOM 734 CD2 LEU A 47 1.511 27.987 6.703 1.00 73.51 C ATOM 0 H LEU A 47 0.281 28.042 4.168 1.00 42.31 H new ATOM 0 HA LEU A 47 0.185 30.610 5.408 1.00 51.53 H new ATOM 0 HB2 LEU A 47 2.324 28.881 4.128 1.00 13.10 H new ATOM 0 HB3 LEU A 47 2.702 30.529 4.590 1.00 13.10 H new ATOM 0 HG LEU A 47 3.418 28.864 6.278 1.00 53.31 H new ATOM 0 HD11 LEU A 47 2.478 29.978 8.301 1.00 23.02 H new ATOM 0 HD12 LEU A 47 2.943 31.146 7.041 1.00 23.02 H new ATOM 0 HD13 LEU A 47 1.229 30.734 7.285 1.00 23.02 H new ATOM 0 HD21 LEU A 47 1.770 27.689 7.719 1.00 73.51 H new ATOM 0 HD22 LEU A 47 0.458 28.265 6.664 1.00 73.51 H new ATOM 0 HD23 LEU A 47 1.692 27.154 6.023 1.00 73.51 H new ATOM 746 N GLU A 48 0.404 30.596 2.099 1.00 1.04 N ATOM 747 CA GLU A 48 0.244 31.433 0.885 1.00 74.11 C ATOM 748 C GLU A 48 -1.140 32.124 0.851 1.00 73.25 C ATOM 749 O GLU A 48 -1.275 33.223 0.335 1.00 63.40 O ATOM 750 CB GLU A 48 0.430 30.577 -0.396 1.00 55.01 C ATOM 751 CG GLU A 48 1.842 29.978 -0.574 1.00 44.43 C ATOM 752 CD GLU A 48 1.957 29.065 -1.808 1.00 64.44 C ATOM 753 OE1 GLU A 48 1.496 27.912 -1.744 1.00 41.11 O ATOM 754 OE2 GLU A 48 2.493 29.495 -2.849 1.00 52.23 O ATOM 0 H GLU A 48 0.441 29.595 1.906 1.00 1.04 H new ATOM 0 HA GLU A 48 1.013 32.205 0.918 1.00 74.11 H new ATOM 0 HB2 GLU A 48 -0.295 29.764 -0.381 1.00 55.01 H new ATOM 0 HB3 GLU A 48 0.200 31.194 -1.265 1.00 55.01 H new ATOM 0 HG2 GLU A 48 2.566 30.788 -0.660 1.00 44.43 H new ATOM 0 HG3 GLU A 48 2.104 29.409 0.318 1.00 44.43 H new ATOM 761 N SER A 49 -2.167 31.444 1.378 1.00 21.32 N ATOM 762 CA SER A 49 -3.546 31.988 1.466 1.00 43.33 C ATOM 763 C SER A 49 -3.730 32.890 2.707 1.00 20.12 C ATOM 764 O SER A 49 -4.610 33.752 2.732 1.00 13.43 O ATOM 765 CB SER A 49 -4.576 30.834 1.486 1.00 33.54 C ATOM 766 OG SER A 49 -5.911 31.315 1.550 1.00 21.25 O ATOM 0 H SER A 49 -2.075 30.502 1.757 1.00 21.32 H new ATOM 0 HA SER A 49 -3.714 32.605 0.583 1.00 43.33 H new ATOM 0 HB2 SER A 49 -4.453 30.223 0.592 1.00 33.54 H new ATOM 0 HB3 SER A 49 -4.381 30.189 2.343 1.00 33.54 H new ATOM 0 HG SER A 49 -6.532 30.557 1.559 1.00 21.25 H new ATOM 772 N ALA A 50 -2.879 32.686 3.730 1.00 22.34 N ATOM 773 CA ALA A 50 -2.977 33.391 5.034 1.00 5.42 C ATOM 774 C ALA A 50 -2.406 34.821 4.977 1.00 43.25 C ATOM 775 O ALA A 50 -2.861 35.710 5.705 1.00 51.51 O ATOM 776 CB ALA A 50 -2.250 32.579 6.118 1.00 12.51 C ATOM 0 H ALA A 50 -2.101 32.028 3.681 1.00 22.34 H new ATOM 0 HA ALA A 50 -4.036 33.478 5.278 1.00 5.42 H new ATOM 0 HB1 ALA A 50 -2.324 33.099 7.073 1.00 12.51 H new ATOM 0 HB2 ALA A 50 -2.709 31.594 6.204 1.00 12.51 H new ATOM 0 HB3 ALA A 50 -1.200 32.467 5.846 1.00 12.51 H new ATOM 782 N PHE A 51 -1.404 35.030 4.103 1.00 40.23 N ATOM 783 CA PHE A 51 -0.714 36.327 3.951 1.00 23.20 C ATOM 784 C PHE A 51 -0.963 36.898 2.543 1.00 32.23 C ATOM 785 O PHE A 51 -0.883 38.111 2.352 1.00 25.30 O ATOM 786 CB PHE A 51 0.815 36.141 4.189 1.00 15.24 C ATOM 787 CG PHE A 51 1.635 37.436 4.177 1.00 64.42 C ATOM 788 CD1 PHE A 51 1.625 38.293 5.277 1.00 54.41 C ATOM 789 CD2 PHE A 51 2.409 37.796 3.066 1.00 24.34 C ATOM 790 CE1 PHE A 51 2.356 39.465 5.267 1.00 14.03 C ATOM 791 CE2 PHE A 51 3.137 38.966 3.061 1.00 42.14 C ATOM 792 CZ PHE A 51 3.114 39.801 4.161 1.00 54.04 C ATOM 0 H PHE A 51 -1.049 34.304 3.481 1.00 40.23 H new ATOM 0 HA PHE A 51 -1.108 37.027 4.688 1.00 23.20 H new ATOM 0 HB2 PHE A 51 0.960 35.646 5.149 1.00 15.24 H new ATOM 0 HB3 PHE A 51 1.208 35.473 3.423 1.00 15.24 H new ATOM 0 HD1 PHE A 51 1.039 38.037 6.147 1.00 54.41 H new ATOM 0 HD2 PHE A 51 2.435 37.148 2.202 1.00 24.34 H new ATOM 0 HE1 PHE A 51 2.335 40.120 6.125 1.00 14.03 H new ATOM 0 HE2 PHE A 51 3.726 39.230 2.196 1.00 42.14 H new ATOM 0 HZ PHE A 51 3.688 40.716 4.157 1.00 54.04 H new ATOM 802 N ALA A 52 -1.308 35.996 1.595 1.00 65.30 N ATOM 803 CA ALA A 52 -1.289 36.247 0.140 1.00 72.13 C ATOM 804 C ALA A 52 0.178 36.345 -0.351 1.00 12.51 C ATOM 805 O ALA A 52 0.784 37.415 -0.307 1.00 50.20 O ATOM 806 CB ALA A 52 -2.153 37.457 -0.262 1.00 42.35 C ATOM 0 H ALA A 52 -1.614 35.052 1.829 1.00 65.30 H new ATOM 0 HA ALA A 52 -1.753 35.401 -0.368 1.00 72.13 H new ATOM 0 HB1 ALA A 52 -2.103 37.597 -1.342 1.00 42.35 H new ATOM 0 HB2 ALA A 52 -3.187 37.280 0.034 1.00 42.35 H new ATOM 0 HB3 ALA A 52 -1.781 38.352 0.237 1.00 42.35 H new ATOM 812 N ASP A 53 0.730 35.168 -0.740 1.00 14.11 N ATOM 813 CA ASP A 53 2.159 34.969 -1.146 1.00 34.54 C ATOM 814 C ASP A 53 2.725 36.126 -2.012 1.00 14.00 C ATOM 815 O ASP A 53 3.787 36.686 -1.700 1.00 74.24 O ATOM 816 CB ASP A 53 2.289 33.616 -1.905 1.00 52.11 C ATOM 817 CG ASP A 53 3.750 33.196 -2.149 1.00 11.40 C ATOM 818 OD1 ASP A 53 4.357 32.585 -1.247 1.00 32.11 O ATOM 819 OD2 ASP A 53 4.309 33.498 -3.223 1.00 21.32 O ATOM 0 H ASP A 53 0.187 34.306 -0.784 1.00 14.11 H new ATOM 0 HA ASP A 53 2.754 34.958 -0.233 1.00 34.54 H new ATOM 0 HB2 ASP A 53 1.784 32.837 -1.334 1.00 52.11 H new ATOM 0 HB3 ASP A 53 1.775 33.693 -2.863 1.00 52.11 H new ATOM 824 N ASP A 54 2.011 36.464 -3.097 1.00 12.50 N ATOM 825 CA ASP A 54 2.302 37.653 -3.928 1.00 11.25 C ATOM 826 C ASP A 54 1.122 38.653 -3.806 1.00 65.34 C ATOM 827 O ASP A 54 -0.034 38.289 -4.047 1.00 14.33 O ATOM 828 CB ASP A 54 2.538 37.242 -5.407 1.00 32.43 C ATOM 829 CG ASP A 54 3.127 38.387 -6.255 1.00 32.04 C ATOM 830 OD1 ASP A 54 2.361 39.184 -6.825 1.00 51.22 O ATOM 831 OD2 ASP A 54 4.362 38.502 -6.332 1.00 32.25 O ATOM 0 H ASP A 54 1.213 35.922 -3.427 1.00 12.50 H new ATOM 0 HA ASP A 54 3.214 38.133 -3.574 1.00 11.25 H new ATOM 0 HB2 ASP A 54 3.213 36.387 -5.439 1.00 32.43 H new ATOM 0 HB3 ASP A 54 1.594 36.919 -5.845 1.00 32.43 H new ATOM 836 N GLN A 55 1.431 39.912 -3.447 1.00 10.22 N ATOM 837 CA GLN A 55 0.409 40.956 -3.175 1.00 32.00 C ATOM 838 C GLN A 55 -0.124 41.628 -4.467 1.00 25.42 C ATOM 839 O GLN A 55 -1.138 42.323 -4.425 1.00 4.43 O ATOM 840 CB GLN A 55 0.992 42.051 -2.234 1.00 43.25 C ATOM 841 CG GLN A 55 1.502 41.540 -0.871 1.00 35.54 C ATOM 842 CD GLN A 55 0.450 40.802 -0.036 1.00 25.14 C ATOM 843 OE1 GLN A 55 -0.745 41.051 -0.138 1.00 14.12 O ATOM 844 NE2 GLN A 55 0.892 39.896 0.806 1.00 64.22 N ATOM 0 H GLN A 55 2.390 40.240 -3.336 1.00 10.22 H new ATOM 0 HA GLN A 55 -0.429 40.450 -2.695 1.00 32.00 H new ATOM 0 HB2 GLN A 55 1.814 42.550 -2.748 1.00 43.25 H new ATOM 0 HB3 GLN A 55 0.223 42.803 -2.058 1.00 43.25 H new ATOM 0 HG2 GLN A 55 2.347 40.873 -1.040 1.00 35.54 H new ATOM 0 HG3 GLN A 55 1.875 42.387 -0.296 1.00 35.54 H new ATOM 0 HE21 GLN A 55 1.892 39.706 0.873 1.00 64.22 H new ATOM 0 HE22 GLN A 55 0.235 39.382 1.393 1.00 64.22 H new ATOM 853 N THR A 56 0.570 41.435 -5.597 1.00 1.22 N ATOM 854 CA THR A 56 0.278 42.162 -6.868 1.00 35.44 C ATOM 855 C THR A 56 -0.119 41.224 -8.032 1.00 4.44 C ATOM 856 O THR A 56 -0.301 41.706 -9.155 1.00 43.04 O ATOM 857 CB THR A 56 1.522 43.012 -7.313 1.00 72.34 C ATOM 858 OG1 THR A 56 2.695 42.172 -7.390 1.00 72.43 O ATOM 859 CG2 THR A 56 1.798 44.195 -6.358 1.00 60.23 C ATOM 0 H THR A 56 1.347 40.778 -5.670 1.00 1.22 H new ATOM 0 HA THR A 56 -0.574 42.806 -6.653 1.00 35.44 H new ATOM 0 HB THR A 56 1.292 43.425 -8.295 1.00 72.34 H new ATOM 0 HG1 THR A 56 2.435 41.235 -7.265 1.00 72.43 H new ATOM 0 HG21 THR A 56 2.667 44.751 -6.709 1.00 60.23 H new ATOM 0 HG22 THR A 56 0.930 44.854 -6.335 1.00 60.23 H new ATOM 0 HG23 THR A 56 1.991 43.815 -5.355 1.00 60.23 H new ATOM 867 N TYR A 57 -0.266 39.913 -7.753 1.00 33.13 N ATOM 868 CA TYR A 57 -0.510 38.863 -8.780 1.00 53.13 C ATOM 869 C TYR A 57 -1.737 39.178 -9.692 1.00 23.52 C ATOM 870 O TYR A 57 -2.880 39.166 -9.218 1.00 62.04 O ATOM 871 CB TYR A 57 -0.679 37.464 -8.110 1.00 12.33 C ATOM 872 CG TYR A 57 -0.779 36.298 -9.127 1.00 3.21 C ATOM 873 CD1 TYR A 57 0.368 35.790 -9.746 1.00 42.03 C ATOM 874 CD2 TYR A 57 -2.011 35.731 -9.485 1.00 3.24 C ATOM 875 CE1 TYR A 57 0.289 34.777 -10.680 1.00 4.33 C ATOM 876 CE2 TYR A 57 -2.088 34.712 -10.416 1.00 1.20 C ATOM 877 CZ TYR A 57 -0.935 34.239 -11.009 1.00 14.11 C ATOM 878 OH TYR A 57 -1.007 33.239 -11.949 1.00 15.21 O ATOM 0 H TYR A 57 -0.219 39.544 -6.803 1.00 33.13 H new ATOM 0 HA TYR A 57 0.369 38.850 -9.424 1.00 53.13 H new ATOM 0 HB2 TYR A 57 0.166 37.284 -7.445 1.00 12.33 H new ATOM 0 HB3 TYR A 57 -1.576 37.473 -7.490 1.00 12.33 H new ATOM 0 HD1 TYR A 57 1.334 36.198 -9.488 1.00 42.03 H new ATOM 0 HD2 TYR A 57 -2.917 36.097 -9.025 1.00 3.24 H new ATOM 0 HE1 TYR A 57 1.187 34.407 -11.153 1.00 4.33 H new ATOM 0 HE2 TYR A 57 -3.046 34.288 -10.678 1.00 1.20 H new ATOM 0 HH TYR A 57 -1.492 33.564 -12.736 1.00 15.21 H new ATOM 888 N PRO A 58 -1.512 39.506 -11.008 1.00 25.32 N ATOM 889 CA PRO A 58 -2.611 39.745 -11.973 1.00 52.22 C ATOM 890 C PRO A 58 -3.094 38.436 -12.677 1.00 15.43 C ATOM 891 O PRO A 58 -2.458 37.383 -12.545 1.00 24.42 O ATOM 892 CB PRO A 58 -1.930 40.715 -12.969 1.00 72.25 C ATOM 893 CG PRO A 58 -0.514 40.219 -13.053 1.00 43.20 C ATOM 894 CD PRO A 58 -0.177 39.695 -11.662 1.00 53.34 C ATOM 0 HA PRO A 58 -3.519 40.133 -11.512 1.00 52.22 H new ATOM 0 HB2 PRO A 58 -2.418 40.694 -13.943 1.00 72.25 H new ATOM 0 HB3 PRO A 58 -1.971 41.745 -12.614 1.00 72.25 H new ATOM 0 HG2 PRO A 58 -0.419 39.432 -13.801 1.00 43.20 H new ATOM 0 HG3 PRO A 58 0.165 41.020 -13.345 1.00 43.20 H new ATOM 0 HD2 PRO A 58 0.378 38.758 -11.713 1.00 53.34 H new ATOM 0 HD3 PRO A 58 0.441 40.402 -11.109 1.00 53.34 H new ATOM 902 N PRO A 59 -4.262 38.468 -13.398 1.00 21.12 N ATOM 903 CA PRO A 59 -4.628 37.404 -14.380 1.00 10.31 C ATOM 904 C PRO A 59 -3.670 37.393 -15.608 1.00 4.44 C ATOM 905 O PRO A 59 -3.087 38.430 -15.958 1.00 24.43 O ATOM 906 CB PRO A 59 -6.088 37.770 -14.795 1.00 33.21 C ATOM 907 CG PRO A 59 -6.568 38.714 -13.722 1.00 74.44 C ATOM 908 CD PRO A 59 -5.341 39.479 -13.275 1.00 20.11 C ATOM 0 HA PRO A 59 -4.548 36.402 -13.957 1.00 10.31 H new ATOM 0 HB2 PRO A 59 -6.114 38.242 -15.777 1.00 33.21 H new ATOM 0 HB3 PRO A 59 -6.718 36.882 -14.851 1.00 33.21 H new ATOM 0 HG2 PRO A 59 -7.332 39.389 -14.107 1.00 74.44 H new ATOM 0 HG3 PRO A 59 -7.014 38.168 -12.891 1.00 74.44 H new ATOM 0 HD2 PRO A 59 -5.154 40.349 -13.905 1.00 20.11 H new ATOM 0 HD3 PRO A 59 -5.441 39.842 -12.252 1.00 20.11 H new ATOM 916 N GLU A 60 -3.514 36.218 -16.253 1.00 2.25 N ATOM 917 CA GLU A 60 -2.657 36.061 -17.451 1.00 61.44 C ATOM 918 C GLU A 60 -3.282 36.808 -18.653 1.00 63.04 C ATOM 919 O GLU A 60 -4.346 36.418 -19.139 1.00 54.24 O ATOM 920 CB GLU A 60 -2.428 34.555 -17.810 1.00 32.30 C ATOM 921 CG GLU A 60 -1.686 33.708 -16.739 1.00 41.03 C ATOM 922 CD GLU A 60 -2.550 33.352 -15.510 1.00 11.30 C ATOM 923 OE1 GLU A 60 -3.331 32.379 -15.587 1.00 30.22 O ATOM 924 OE2 GLU A 60 -2.476 34.051 -14.474 1.00 74.34 O ATOM 0 H GLU A 60 -3.974 35.356 -15.962 1.00 2.25 H new ATOM 0 HA GLU A 60 -1.684 36.495 -17.221 1.00 61.44 H new ATOM 0 HB2 GLU A 60 -3.398 34.095 -18.001 1.00 32.30 H new ATOM 0 HB3 GLU A 60 -1.863 34.505 -18.741 1.00 32.30 H new ATOM 0 HG2 GLU A 60 -1.332 32.786 -17.201 1.00 41.03 H new ATOM 0 HG3 GLU A 60 -0.805 34.255 -16.404 1.00 41.03 H new ATOM 931 N SER A 61 -2.624 37.899 -19.091 1.00 13.32 N ATOM 932 CA SER A 61 -3.098 38.749 -20.216 1.00 64.44 C ATOM 933 C SER A 61 -3.084 37.976 -21.574 1.00 42.03 C ATOM 934 O SER A 61 -1.996 37.803 -22.168 1.00 41.51 O ATOM 935 CB SER A 61 -2.240 40.035 -20.313 1.00 62.52 C ATOM 936 OG SER A 61 -2.614 40.828 -21.434 1.00 3.20 O ATOM 937 OXT SER A 61 -4.164 37.544 -22.037 1.00 36.16 O ATOM 0 H SER A 61 -1.748 38.221 -18.679 1.00 13.32 H new ATOM 0 HA SER A 61 -4.132 39.026 -20.010 1.00 64.44 H new ATOM 0 HB2 SER A 61 -2.353 40.619 -19.399 1.00 62.52 H new ATOM 0 HB3 SER A 61 -1.187 39.766 -20.392 1.00 62.52 H new ATOM 0 HG SER A 61 -2.055 41.633 -21.466 1.00 3.20 H new TER 943 SER A 61