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+ -156:sc= 0.576 (180deg=0.000961) USER MOD Single : A 2 THR OG1 : rot 5:sc= 0.116 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.308 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0104) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0485 K(o=-0.049,f=-1.1) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 82:sc= 0.51 USER MOD Single : A 38 SER OG : rot -82:sc= 0.696 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.053 X(o=-0.053,f=-0.36) USER MOD Single : A 56 THR OG1 : rot 91:sc= 0.955 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 1:sc= 0.13 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -2.733 -32.784 8.158 1.00 20.11 N ATOM 2 CA PHE A 1 -2.358 -34.229 8.124 1.00 71.44 C ATOM 3 C PHE A 1 -2.290 -34.805 6.676 1.00 63.12 C ATOM 4 O PHE A 1 -1.402 -35.609 6.375 1.00 30.31 O ATOM 5 CB PHE A 1 -3.319 -35.069 9.033 1.00 11.24 C ATOM 6 CG PHE A 1 -4.794 -35.102 8.603 1.00 51.03 C ATOM 7 CD1 PHE A 1 -5.614 -33.986 8.765 1.00 63.12 C ATOM 8 CD2 PHE A 1 -5.354 -36.254 8.047 1.00 73.41 C ATOM 9 CE1 PHE A 1 -6.942 -34.013 8.378 1.00 23.41 C ATOM 10 CE2 PHE A 1 -6.681 -36.283 7.663 1.00 43.03 C ATOM 11 CZ PHE A 1 -7.477 -35.165 7.831 1.00 52.13 C ATOM 0 H1 PHE A 1 -2.382 -32.355 9.038 1.00 20.11 H new ATOM 0 H2 PHE A 1 -2.310 -32.296 7.342 1.00 20.11 H new ATOM 0 H3 PHE A 1 -3.768 -32.693 8.117 1.00 20.11 H new ATOM 0 HA PHE A 1 -1.347 -34.306 8.525 1.00 71.44 H new ATOM 0 HB2 PHE A 1 -2.949 -36.094 9.070 1.00 11.24 H new ATOM 0 HB3 PHE A 1 -3.265 -34.674 10.047 1.00 11.24 H new ATOM 0 HD1 PHE A 1 -5.206 -33.086 9.200 1.00 63.12 H new ATOM 0 HD2 PHE A 1 -4.742 -37.134 7.915 1.00 73.41 H new ATOM 0 HE1 PHE A 1 -7.560 -33.136 8.503 1.00 23.41 H new ATOM 0 HE2 PHE A 1 -7.097 -37.181 7.231 1.00 43.03 H new ATOM 0 HZ PHE A 1 -8.515 -35.191 7.535 1.00 52.13 H new ATOM 23 N THR A 2 -3.225 -34.392 5.783 1.00 21.11 N ATOM 24 CA THR A 2 -3.307 -34.920 4.398 1.00 53.14 C ATOM 25 C THR A 2 -2.383 -34.142 3.443 1.00 23.12 C ATOM 26 O THR A 2 -2.371 -32.905 3.447 1.00 15.42 O ATOM 27 CB THR A 2 -4.775 -34.862 3.850 1.00 35.43 C ATOM 28 OG1 THR A 2 -5.688 -35.434 4.796 1.00 54.53 O ATOM 29 CG2 THR A 2 -4.924 -35.605 2.510 1.00 44.44 C ATOM 0 H THR A 2 -3.935 -33.692 5.999 1.00 21.11 H new ATOM 0 HA THR A 2 -2.982 -35.959 4.440 1.00 53.14 H new ATOM 0 HB THR A 2 -5.007 -33.809 3.691 1.00 35.43 H new ATOM 0 HG1 THR A 2 -5.205 -35.669 5.616 1.00 54.53 H new ATOM 0 HG21 THR A 2 -5.957 -35.538 2.170 1.00 44.44 H new ATOM 0 HG22 THR A 2 -4.267 -35.152 1.768 1.00 44.44 H new ATOM 0 HG23 THR A 2 -4.653 -36.652 2.643 1.00 44.44 H new ATOM 37 N LEU A 3 -1.628 -34.893 2.610 1.00 21.51 N ATOM 38 CA LEU A 3 -0.757 -34.323 1.553 1.00 21.31 C ATOM 39 C LEU A 3 -1.541 -33.438 0.555 1.00 4.51 C ATOM 40 O LEU A 3 -0.982 -32.511 -0.017 1.00 5.41 O ATOM 41 CB LEU A 3 0.011 -35.431 0.771 1.00 25.51 C ATOM 42 CG LEU A 3 -0.812 -36.370 -0.182 1.00 70.40 C ATOM 43 CD1 LEU A 3 0.124 -37.216 -1.077 1.00 32.24 C ATOM 44 CD2 LEU A 3 -1.785 -37.287 0.589 1.00 0.41 C ATOM 0 H LEU A 3 -1.604 -35.912 2.650 1.00 21.51 H new ATOM 0 HA LEU A 3 -0.035 -33.695 2.075 1.00 21.31 H new ATOM 0 HB2 LEU A 3 0.782 -34.944 0.174 1.00 25.51 H new ATOM 0 HB3 LEU A 3 0.521 -36.060 1.500 1.00 25.51 H new ATOM 0 HG LEU A 3 -1.411 -35.717 -0.816 1.00 70.40 H new ATOM 0 HD11 LEU A 3 -0.474 -37.856 -1.726 1.00 32.24 H new ATOM 0 HD12 LEU A 3 0.740 -36.555 -1.687 1.00 32.24 H new ATOM 0 HD13 LEU A 3 0.767 -37.834 -0.450 1.00 32.24 H new ATOM 0 HD21 LEU A 3 -2.329 -37.915 -0.116 1.00 0.41 H new ATOM 0 HD22 LEU A 3 -1.222 -37.918 1.277 1.00 0.41 H new ATOM 0 HD23 LEU A 3 -2.492 -36.677 1.151 1.00 0.41 H new ATOM 56 N ILE A 4 -2.838 -33.734 0.381 1.00 41.13 N ATOM 57 CA ILE A 4 -3.711 -33.032 -0.588 1.00 40.42 C ATOM 58 C ILE A 4 -4.281 -31.738 0.020 1.00 62.44 C ATOM 59 O ILE A 4 -4.276 -30.691 -0.630 1.00 34.40 O ATOM 60 CB ILE A 4 -4.884 -33.973 -1.078 1.00 22.43 C ATOM 61 CG1 ILE A 4 -4.310 -35.278 -1.725 1.00 75.43 C ATOM 62 CG2 ILE A 4 -5.852 -33.240 -2.043 1.00 44.43 C ATOM 63 CD1 ILE A 4 -3.371 -35.039 -2.897 1.00 43.30 C ATOM 0 H ILE A 4 -3.317 -34.466 0.906 1.00 41.13 H new ATOM 0 HA ILE A 4 -3.101 -32.766 -1.451 1.00 40.42 H new ATOM 0 HB ILE A 4 -5.468 -34.255 -0.202 1.00 22.43 H new ATOM 0 HG12 ILE A 4 -3.779 -35.845 -0.960 1.00 75.43 H new ATOM 0 HG13 ILE A 4 -5.141 -35.898 -2.062 1.00 75.43 H new ATOM 0 HG21 ILE A 4 -6.642 -33.923 -2.355 1.00 44.43 H new ATOM 0 HG22 ILE A 4 -6.293 -32.383 -1.534 1.00 44.43 H new ATOM 0 HG23 ILE A 4 -5.302 -32.898 -2.920 1.00 44.43 H new ATOM 0 HD11 ILE A 4 -3.021 -35.996 -3.284 1.00 43.30 H new ATOM 0 HD12 ILE A 4 -3.900 -34.501 -3.684 1.00 43.30 H new ATOM 0 HD13 ILE A 4 -2.518 -34.448 -2.565 1.00 43.30 H new ATOM 75 N GLU A 5 -4.757 -31.829 1.276 1.00 72.20 N ATOM 76 CA GLU A 5 -5.260 -30.656 2.027 1.00 35.43 C ATOM 77 C GLU A 5 -4.173 -29.572 2.169 1.00 72.13 C ATOM 78 O GLU A 5 -4.467 -28.392 2.022 1.00 72.12 O ATOM 79 CB GLU A 5 -5.799 -31.069 3.421 1.00 33.02 C ATOM 80 CG GLU A 5 -7.036 -31.994 3.397 1.00 21.40 C ATOM 81 CD GLU A 5 -8.271 -31.346 2.739 1.00 40.52 C ATOM 82 OE1 GLU A 5 -8.994 -30.590 3.426 1.00 1.23 O ATOM 83 OE2 GLU A 5 -8.526 -31.591 1.540 1.00 53.41 O ATOM 0 H GLU A 5 -4.805 -32.705 1.796 1.00 72.20 H new ATOM 0 HA GLU A 5 -6.086 -30.235 1.454 1.00 35.43 H new ATOM 0 HB2 GLU A 5 -5.001 -31.570 3.968 1.00 33.02 H new ATOM 0 HB3 GLU A 5 -6.050 -30.167 3.978 1.00 33.02 H new ATOM 0 HG2 GLU A 5 -6.786 -32.909 2.861 1.00 21.40 H new ATOM 0 HG3 GLU A 5 -7.286 -32.281 4.418 1.00 21.40 H new ATOM 90 N LEU A 6 -2.911 -29.987 2.412 1.00 12.21 N ATOM 91 CA LEU A 6 -1.776 -29.041 2.545 1.00 53.12 C ATOM 92 C LEU A 6 -1.434 -28.377 1.188 1.00 14.21 C ATOM 93 O LEU A 6 -0.978 -27.237 1.162 1.00 24.51 O ATOM 94 CB LEU A 6 -0.548 -29.733 3.234 1.00 62.14 C ATOM 95 CG LEU A 6 0.343 -30.734 2.417 1.00 5.04 C ATOM 96 CD1 LEU A 6 1.356 -30.025 1.483 1.00 22.12 C ATOM 97 CD2 LEU A 6 1.090 -31.701 3.362 1.00 65.31 C ATOM 0 H LEU A 6 -2.650 -30.967 2.520 1.00 12.21 H new ATOM 0 HA LEU A 6 -2.075 -28.226 3.205 1.00 53.12 H new ATOM 0 HB2 LEU A 6 0.106 -28.943 3.603 1.00 62.14 H new ATOM 0 HB3 LEU A 6 -0.924 -30.269 4.106 1.00 62.14 H new ATOM 0 HG LEU A 6 -0.341 -31.297 1.782 1.00 5.04 H new ATOM 0 HD11 LEU A 6 1.941 -30.772 0.947 1.00 22.12 H new ATOM 0 HD12 LEU A 6 0.818 -29.404 0.767 1.00 22.12 H new ATOM 0 HD13 LEU A 6 2.023 -29.400 2.077 1.00 22.12 H new ATOM 0 HD21 LEU A 6 1.701 -32.385 2.773 1.00 65.31 H new ATOM 0 HD22 LEU A 6 1.730 -31.130 4.035 1.00 65.31 H new ATOM 0 HD23 LEU A 6 0.367 -32.271 3.945 1.00 65.31 H new ATOM 109 N LEU A 7 -1.646 -29.108 0.068 1.00 31.14 N ATOM 110 CA LEU A 7 -1.524 -28.532 -1.294 1.00 32.34 C ATOM 111 C LEU A 7 -2.583 -27.428 -1.543 1.00 13.41 C ATOM 112 O LEU A 7 -2.299 -26.435 -2.216 1.00 54.03 O ATOM 113 CB LEU A 7 -1.636 -29.638 -2.375 1.00 64.21 C ATOM 114 CG LEU A 7 -0.444 -30.644 -2.452 1.00 14.02 C ATOM 115 CD1 LEU A 7 -0.753 -31.820 -3.408 1.00 31.12 C ATOM 116 CD2 LEU A 7 0.871 -29.932 -2.851 1.00 62.05 C ATOM 0 H LEU A 7 -1.902 -30.095 0.080 1.00 31.14 H new ATOM 0 HA LEU A 7 -0.538 -28.074 -1.365 1.00 32.34 H new ATOM 0 HB2 LEU A 7 -2.551 -30.203 -2.195 1.00 64.21 H new ATOM 0 HB3 LEU A 7 -1.744 -29.158 -3.348 1.00 64.21 H new ATOM 0 HG LEU A 7 -0.307 -31.059 -1.454 1.00 14.02 H new ATOM 0 HD11 LEU A 7 0.099 -32.499 -3.436 1.00 31.12 H new ATOM 0 HD12 LEU A 7 -1.633 -32.356 -3.053 1.00 31.12 H new ATOM 0 HD13 LEU A 7 -0.943 -31.434 -4.410 1.00 31.12 H new ATOM 0 HD21 LEU A 7 1.680 -30.661 -2.895 1.00 62.05 H new ATOM 0 HD22 LEU A 7 0.750 -29.465 -3.828 1.00 62.05 H new ATOM 0 HD23 LEU A 7 1.110 -29.169 -2.111 1.00 62.05 H new ATOM 128 N ILE A 8 -3.801 -27.622 -1.016 1.00 42.12 N ATOM 129 CA ILE A 8 -4.875 -26.625 -1.084 1.00 23.22 C ATOM 130 C ILE A 8 -4.558 -25.381 -0.210 1.00 13.04 C ATOM 131 O ILE A 8 -4.779 -24.247 -0.642 1.00 22.41 O ATOM 132 CB ILE A 8 -6.221 -27.298 -0.629 1.00 24.34 C ATOM 133 CG1 ILE A 8 -6.568 -28.501 -1.566 1.00 3.31 C ATOM 134 CG2 ILE A 8 -7.380 -26.283 -0.569 1.00 73.45 C ATOM 135 CD1 ILE A 8 -7.696 -29.398 -1.080 1.00 11.30 C ATOM 0 H ILE A 8 -4.068 -28.478 -0.530 1.00 42.12 H new ATOM 0 HA ILE A 8 -4.967 -26.274 -2.112 1.00 23.22 H new ATOM 0 HB ILE A 8 -6.081 -27.676 0.384 1.00 24.34 H new ATOM 0 HG12 ILE A 8 -6.834 -28.110 -2.548 1.00 3.31 H new ATOM 0 HG13 ILE A 8 -5.673 -29.109 -1.696 1.00 3.31 H new ATOM 0 HG21 ILE A 8 -8.291 -26.789 -0.250 1.00 73.45 H new ATOM 0 HG22 ILE A 8 -7.136 -25.494 0.142 1.00 73.45 H new ATOM 0 HG23 ILE A 8 -7.533 -25.847 -1.556 1.00 73.45 H new ATOM 0 HD11 ILE A 8 -7.858 -30.201 -1.799 1.00 11.30 H new ATOM 0 HD12 ILE A 8 -7.430 -29.826 -0.113 1.00 11.30 H new ATOM 0 HD13 ILE A 8 -8.609 -28.812 -0.978 1.00 11.30 H new ATOM 147 N VAL A 9 -4.049 -25.618 1.017 1.00 10.02 N ATOM 148 CA VAL A 9 -3.601 -24.557 1.933 1.00 44.11 C ATOM 149 C VAL A 9 -2.464 -23.695 1.312 1.00 2.24 C ATOM 150 O VAL A 9 -2.537 -22.468 1.331 1.00 55.52 O ATOM 151 CB VAL A 9 -3.139 -25.174 3.308 1.00 4.54 C ATOM 152 CG1 VAL A 9 -2.573 -24.106 4.252 1.00 74.02 C ATOM 153 CG2 VAL A 9 -4.297 -25.939 3.987 1.00 65.45 C ATOM 0 H VAL A 9 -3.938 -26.557 1.399 1.00 10.02 H new ATOM 0 HA VAL A 9 -4.451 -23.897 2.109 1.00 44.11 H new ATOM 0 HB VAL A 9 -2.337 -25.880 3.090 1.00 4.54 H new ATOM 0 HG11 VAL A 9 -2.266 -24.573 5.188 1.00 74.02 H new ATOM 0 HG12 VAL A 9 -1.711 -23.628 3.786 1.00 74.02 H new ATOM 0 HG13 VAL A 9 -3.338 -23.357 4.454 1.00 74.02 H new ATOM 0 HG21 VAL A 9 -3.952 -26.355 4.934 1.00 65.45 H new ATOM 0 HG22 VAL A 9 -5.126 -25.256 4.171 1.00 65.45 H new ATOM 0 HG23 VAL A 9 -4.631 -26.747 3.336 1.00 65.45 H new ATOM 163 N VAL A 10 -1.428 -24.345 0.748 1.00 55.22 N ATOM 164 CA VAL A 10 -0.301 -23.647 0.115 1.00 44.11 C ATOM 165 C VAL A 10 -0.735 -22.953 -1.209 1.00 23.34 C ATOM 166 O VAL A 10 -0.104 -21.984 -1.633 1.00 43.11 O ATOM 167 CB VAL A 10 0.908 -24.630 -0.135 1.00 73.21 C ATOM 168 CG1 VAL A 10 0.675 -25.581 -1.331 1.00 31.01 C ATOM 169 CG2 VAL A 10 2.224 -23.852 -0.283 1.00 75.03 C ATOM 0 H VAL A 10 -1.352 -25.362 0.720 1.00 55.22 H new ATOM 0 HA VAL A 10 0.032 -22.870 0.803 1.00 44.11 H new ATOM 0 HB VAL A 10 0.982 -25.267 0.746 1.00 73.21 H new ATOM 0 HG11 VAL A 10 1.541 -26.232 -1.452 1.00 31.01 H new ATOM 0 HG12 VAL A 10 -0.212 -26.187 -1.146 1.00 31.01 H new ATOM 0 HG13 VAL A 10 0.531 -24.995 -2.239 1.00 31.01 H new ATOM 0 HG21 VAL A 10 3.043 -24.551 -0.454 1.00 75.03 H new ATOM 0 HG22 VAL A 10 2.149 -23.167 -1.128 1.00 75.03 H new ATOM 0 HG23 VAL A 10 2.416 -23.285 0.628 1.00 75.03 H new ATOM 179 N ALA A 11 -1.813 -23.470 -1.857 1.00 63.20 N ATOM 180 CA ALA A 11 -2.394 -22.848 -3.066 1.00 13.31 C ATOM 181 C ALA A 11 -3.068 -21.500 -2.736 1.00 22.10 C ATOM 182 O ALA A 11 -2.714 -20.473 -3.319 1.00 54.35 O ATOM 183 CB ALA A 11 -3.394 -23.798 -3.754 1.00 54.24 C ATOM 0 H ALA A 11 -2.294 -24.318 -1.557 1.00 63.20 H new ATOM 0 HA ALA A 11 -1.575 -22.655 -3.758 1.00 13.31 H new ATOM 0 HB1 ALA A 11 -3.805 -23.314 -4.640 1.00 54.24 H new ATOM 0 HB2 ALA A 11 -2.883 -24.715 -4.046 1.00 54.24 H new ATOM 0 HB3 ALA A 11 -4.202 -24.038 -3.063 1.00 54.24 H new ATOM 189 N ILE A 12 -4.023 -21.522 -1.778 1.00 13.20 N ATOM 190 CA ILE A 12 -4.799 -20.329 -1.378 1.00 1.30 C ATOM 191 C ILE A 12 -3.900 -19.250 -0.724 1.00 12.32 C ATOM 192 O ILE A 12 -3.982 -18.082 -1.098 1.00 53.34 O ATOM 193 CB ILE A 12 -6.016 -20.712 -0.442 1.00 2.33 C ATOM 194 CG1 ILE A 12 -5.548 -21.419 0.872 1.00 30.44 C ATOM 195 CG2 ILE A 12 -7.042 -21.586 -1.215 1.00 24.41 C ATOM 196 CD1 ILE A 12 -6.663 -21.861 1.802 1.00 72.22 C ATOM 0 H ILE A 12 -4.276 -22.365 -1.263 1.00 13.20 H new ATOM 0 HA ILE A 12 -5.211 -19.896 -2.290 1.00 1.30 H new ATOM 0 HB ILE A 12 -6.506 -19.785 -0.144 1.00 2.33 H new ATOM 0 HG12 ILE A 12 -4.953 -22.292 0.603 1.00 30.44 H new ATOM 0 HG13 ILE A 12 -4.891 -20.741 1.416 1.00 30.44 H new ATOM 0 HG21 ILE A 12 -7.872 -21.840 -0.556 1.00 24.41 H new ATOM 0 HG22 ILE A 12 -7.418 -21.031 -2.075 1.00 24.41 H new ATOM 0 HG23 ILE A 12 -6.557 -22.500 -1.557 1.00 24.41 H new ATOM 0 HD11 ILE A 12 -6.234 -22.339 2.683 1.00 72.22 H new ATOM 0 HD12 ILE A 12 -7.247 -20.993 2.109 1.00 72.22 H new ATOM 0 HD13 ILE A 12 -7.310 -22.569 1.284 1.00 72.22 H new ATOM 208 N ILE A 13 -3.005 -19.660 0.206 1.00 2.01 N ATOM 209 CA ILE A 13 -2.008 -18.766 0.830 1.00 12.11 C ATOM 210 C ILE A 13 -0.951 -18.323 -0.211 1.00 13.44 C ATOM 211 O ILE A 13 -0.383 -17.234 -0.109 1.00 45.31 O ATOM 212 CB ILE A 13 -1.334 -19.479 2.071 1.00 15.35 C ATOM 213 CG1 ILE A 13 -2.400 -19.727 3.196 1.00 51.04 C ATOM 214 CG2 ILE A 13 -0.117 -18.697 2.619 1.00 41.40 C ATOM 215 CD1 ILE A 13 -1.877 -20.455 4.427 1.00 33.42 C ATOM 0 H ILE A 13 -2.956 -20.621 0.543 1.00 2.01 H new ATOM 0 HA ILE A 13 -2.513 -17.870 1.191 1.00 12.11 H new ATOM 0 HB ILE A 13 -0.951 -20.439 1.726 1.00 15.35 H new ATOM 0 HG12 ILE A 13 -2.809 -18.766 3.507 1.00 51.04 H new ATOM 0 HG13 ILE A 13 -3.224 -20.302 2.775 1.00 51.04 H new ATOM 0 HG21 ILE A 13 0.306 -19.232 3.469 1.00 41.40 H new ATOM 0 HG22 ILE A 13 0.637 -18.603 1.838 1.00 41.40 H new ATOM 0 HG23 ILE A 13 -0.436 -17.704 2.937 1.00 41.40 H new ATOM 0 HD11 ILE A 13 -2.686 -20.580 5.147 1.00 33.42 H new ATOM 0 HD12 ILE A 13 -1.496 -21.434 4.136 1.00 33.42 H new ATOM 0 HD13 ILE A 13 -1.074 -19.873 4.880 1.00 33.42 H new ATOM 227 N GLY A 14 -0.712 -19.187 -1.215 1.00 62.41 N ATOM 228 CA GLY A 14 0.145 -18.857 -2.356 1.00 23.25 C ATOM 229 C GLY A 14 -0.384 -17.676 -3.174 1.00 62.55 C ATOM 230 O GLY A 14 0.398 -16.840 -3.637 1.00 30.13 O ATOM 0 H GLY A 14 -1.107 -20.126 -1.253 1.00 62.41 H new ATOM 0 HA2 GLY A 14 1.147 -18.624 -1.996 1.00 23.25 H new ATOM 0 HA3 GLY A 14 0.233 -19.730 -3.002 1.00 23.25 H new ATOM 234 N ILE A 15 -1.723 -17.611 -3.347 1.00 62.50 N ATOM 235 CA ILE A 15 -2.392 -16.487 -4.023 1.00 10.34 C ATOM 236 C ILE A 15 -2.330 -15.230 -3.137 1.00 25.24 C ATOM 237 O ILE A 15 -2.007 -14.151 -3.626 1.00 24.14 O ATOM 238 CB ILE A 15 -3.891 -16.850 -4.350 1.00 22.43 C ATOM 239 CG1 ILE A 15 -3.968 -18.178 -5.189 1.00 41.52 C ATOM 240 CG2 ILE A 15 -4.615 -15.688 -5.086 1.00 22.04 C ATOM 241 CD1 ILE A 15 -5.227 -18.991 -4.975 1.00 53.11 C ATOM 0 H ILE A 15 -2.364 -18.335 -3.022 1.00 62.50 H new ATOM 0 HA ILE A 15 -1.875 -16.286 -4.961 1.00 10.34 H new ATOM 0 HB ILE A 15 -4.407 -17.008 -3.403 1.00 22.43 H new ATOM 0 HG12 ILE A 15 -3.889 -17.928 -6.247 1.00 41.52 H new ATOM 0 HG13 ILE A 15 -3.106 -18.798 -4.943 1.00 41.52 H new ATOM 0 HG21 ILE A 15 -5.646 -15.975 -5.294 1.00 22.04 H new ATOM 0 HG22 ILE A 15 -4.607 -14.798 -4.457 1.00 22.04 H new ATOM 0 HG23 ILE A 15 -4.101 -15.475 -6.023 1.00 22.04 H new ATOM 0 HD11 ILE A 15 -5.191 -19.887 -5.594 1.00 53.11 H new ATOM 0 HD12 ILE A 15 -5.301 -19.277 -3.926 1.00 53.11 H new ATOM 0 HD13 ILE A 15 -6.097 -18.394 -5.251 1.00 53.11 H new ATOM 253 N LEU A 16 -2.609 -15.409 -1.821 1.00 3.03 N ATOM 254 CA LEU A 16 -2.587 -14.306 -0.831 1.00 62.34 C ATOM 255 C LEU A 16 -1.204 -13.626 -0.773 1.00 21.34 C ATOM 256 O LEU A 16 -1.118 -12.416 -0.668 1.00 31.04 O ATOM 257 CB LEU A 16 -2.963 -14.800 0.599 1.00 42.23 C ATOM 258 CG LEU A 16 -4.295 -15.601 0.760 1.00 33.24 C ATOM 259 CD1 LEU A 16 -4.679 -15.801 2.248 1.00 62.10 C ATOM 260 CD2 LEU A 16 -5.443 -14.973 -0.053 1.00 65.32 C ATOM 0 H LEU A 16 -2.853 -16.315 -1.420 1.00 3.03 H new ATOM 0 HA LEU A 16 -3.333 -13.584 -1.165 1.00 62.34 H new ATOM 0 HB2 LEU A 16 -2.148 -15.426 0.963 1.00 42.23 H new ATOM 0 HB3 LEU A 16 -3.013 -13.929 1.253 1.00 42.23 H new ATOM 0 HG LEU A 16 -4.119 -16.594 0.347 1.00 33.24 H new ATOM 0 HD11 LEU A 16 -5.611 -16.363 2.311 1.00 62.10 H new ATOM 0 HD12 LEU A 16 -3.888 -16.352 2.757 1.00 62.10 H new ATOM 0 HD13 LEU A 16 -4.808 -14.829 2.724 1.00 62.10 H new ATOM 0 HD21 LEU A 16 -6.351 -15.560 0.086 1.00 65.32 H new ATOM 0 HD22 LEU A 16 -5.615 -13.952 0.289 1.00 65.32 H new ATOM 0 HD23 LEU A 16 -5.177 -14.962 -1.110 1.00 65.32 H new ATOM 272 N ALA A 17 -0.134 -14.432 -0.840 1.00 20.21 N ATOM 273 CA ALA A 17 1.254 -13.931 -0.815 1.00 15.54 C ATOM 274 C ALA A 17 1.606 -13.228 -2.144 1.00 71.21 C ATOM 275 O ALA A 17 2.027 -12.072 -2.157 1.00 54.24 O ATOM 276 CB ALA A 17 2.226 -15.081 -0.523 1.00 41.41 C ATOM 0 H ALA A 17 -0.203 -15.447 -0.913 1.00 20.21 H new ATOM 0 HA ALA A 17 1.346 -13.195 -0.017 1.00 15.54 H new ATOM 0 HB1 ALA A 17 3.247 -14.699 -0.507 1.00 41.41 H new ATOM 0 HB2 ALA A 17 1.988 -15.522 0.445 1.00 41.41 H new ATOM 0 HB3 ALA A 17 2.135 -15.841 -1.299 1.00 41.41 H new ATOM 282 N ALA A 18 1.359 -13.931 -3.259 1.00 3.32 N ATOM 283 CA ALA A 18 1.644 -13.440 -4.628 1.00 11.12 C ATOM 284 C ALA A 18 0.975 -12.076 -4.930 1.00 72.23 C ATOM 285 O ALA A 18 1.507 -11.284 -5.704 1.00 35.12 O ATOM 286 CB ALA A 18 1.217 -14.490 -5.667 1.00 22.21 C ATOM 0 H ALA A 18 0.952 -14.866 -3.243 1.00 3.32 H new ATOM 0 HA ALA A 18 2.720 -13.281 -4.691 1.00 11.12 H new ATOM 0 HB1 ALA A 18 1.431 -14.118 -6.669 1.00 22.21 H new ATOM 0 HB2 ALA A 18 1.768 -15.415 -5.497 1.00 22.21 H new ATOM 0 HB3 ALA A 18 0.148 -14.682 -5.572 1.00 22.21 H new ATOM 292 N ILE A 19 -0.195 -11.808 -4.311 1.00 44.32 N ATOM 293 CA ILE A 19 -0.867 -10.490 -4.429 1.00 23.24 C ATOM 294 C ILE A 19 -0.392 -9.486 -3.359 1.00 34.40 C ATOM 295 O ILE A 19 -0.288 -8.301 -3.642 1.00 71.13 O ATOM 296 CB ILE A 19 -2.440 -10.613 -4.453 1.00 1.31 C ATOM 297 CG1 ILE A 19 -3.051 -11.253 -3.164 1.00 54.42 C ATOM 298 CG2 ILE A 19 -2.899 -11.377 -5.716 1.00 62.45 C ATOM 299 CD1 ILE A 19 -3.341 -10.277 -2.043 1.00 3.24 C ATOM 0 H ILE A 19 -0.693 -12.480 -3.728 1.00 44.32 H new ATOM 0 HA ILE A 19 -0.566 -10.088 -5.396 1.00 23.24 H new ATOM 0 HB ILE A 19 -2.822 -9.593 -4.481 1.00 1.31 H new ATOM 0 HG12 ILE A 19 -3.977 -11.761 -3.432 1.00 54.42 H new ATOM 0 HG13 ILE A 19 -2.365 -12.015 -2.794 1.00 54.42 H new ATOM 0 HG21 ILE A 19 -3.986 -11.454 -5.719 1.00 62.45 H new ATOM 0 HG22 ILE A 19 -2.571 -10.840 -6.606 1.00 62.45 H new ATOM 0 HG23 ILE A 19 -2.464 -12.377 -5.715 1.00 62.45 H new ATOM 0 HD11 ILE A 19 -3.762 -10.814 -1.193 1.00 3.24 H new ATOM 0 HD12 ILE A 19 -2.416 -9.786 -1.740 1.00 3.24 H new ATOM 0 HD13 ILE A 19 -4.054 -9.528 -2.388 1.00 3.24 H new ATOM 311 N ALA A 20 -0.083 -9.982 -2.144 1.00 20.52 N ATOM 312 CA ALA A 20 0.247 -9.124 -0.979 1.00 5.33 C ATOM 313 C ALA A 20 1.544 -8.350 -1.181 1.00 3.53 C ATOM 314 O ALA A 20 1.550 -7.150 -1.040 1.00 41.44 O ATOM 315 CB ALA A 20 0.329 -9.936 0.317 1.00 41.22 C ATOM 0 H ALA A 20 -0.054 -10.981 -1.939 1.00 20.52 H new ATOM 0 HA ALA A 20 -0.569 -8.406 -0.894 1.00 5.33 H new ATOM 0 HB1 ALA A 20 0.573 -9.273 1.147 1.00 41.22 H new ATOM 0 HB2 ALA A 20 -0.631 -10.417 0.506 1.00 41.22 H new ATOM 0 HB3 ALA A 20 1.104 -10.697 0.221 1.00 41.22 H new ATOM 321 N ILE A 21 2.629 -9.058 -1.534 1.00 23.53 N ATOM 322 CA ILE A 21 3.980 -8.458 -1.654 1.00 63.12 C ATOM 323 C ILE A 21 4.014 -7.217 -2.622 1.00 1.45 C ATOM 324 O ILE A 21 4.473 -6.147 -2.201 1.00 61.40 O ATOM 325 CB ILE A 21 5.080 -9.543 -2.032 1.00 25.21 C ATOM 326 CG1 ILE A 21 5.442 -10.460 -0.811 1.00 0.04 C ATOM 327 CG2 ILE A 21 6.356 -8.890 -2.612 1.00 10.45 C ATOM 328 CD1 ILE A 21 4.368 -11.433 -0.356 1.00 52.22 C ATOM 0 H ILE A 21 2.602 -10.056 -1.744 1.00 23.53 H new ATOM 0 HA ILE A 21 4.233 -8.076 -0.665 1.00 63.12 H new ATOM 0 HB ILE A 21 4.640 -10.172 -2.806 1.00 25.21 H new ATOM 0 HG12 ILE A 21 6.335 -11.031 -1.065 1.00 0.04 H new ATOM 0 HG13 ILE A 21 5.702 -9.820 0.032 1.00 0.04 H new ATOM 0 HG21 ILE A 21 7.082 -9.665 -2.857 1.00 10.45 H new ATOM 0 HG22 ILE A 21 6.102 -8.333 -3.514 1.00 10.45 H new ATOM 0 HG23 ILE A 21 6.785 -8.211 -1.875 1.00 10.45 H new ATOM 0 HD11 ILE A 21 4.736 -12.010 0.493 1.00 52.22 H new ATOM 0 HD12 ILE A 21 3.477 -10.879 -0.060 1.00 52.22 H new ATOM 0 HD13 ILE A 21 4.120 -12.109 -1.174 1.00 52.22 H new ATOM 340 N PRO A 22 3.543 -7.310 -3.916 1.00 44.21 N ATOM 341 CA PRO A 22 3.472 -6.118 -4.802 1.00 44.12 C ATOM 342 C PRO A 22 2.468 -5.052 -4.306 1.00 23.21 C ATOM 343 O PRO A 22 2.764 -3.864 -4.341 1.00 74.24 O ATOM 344 CB PRO A 22 3.017 -6.693 -6.160 1.00 63.53 C ATOM 345 CG PRO A 22 2.337 -7.987 -5.815 1.00 20.42 C ATOM 346 CD PRO A 22 3.078 -8.536 -4.625 1.00 4.44 C ATOM 0 HA PRO A 22 4.430 -5.600 -4.841 1.00 44.12 H new ATOM 0 HB2 PRO A 22 2.337 -6.012 -6.671 1.00 63.53 H new ATOM 0 HB3 PRO A 22 3.865 -6.856 -6.826 1.00 63.53 H new ATOM 0 HG2 PRO A 22 1.285 -7.825 -5.580 1.00 20.42 H new ATOM 0 HG3 PRO A 22 2.373 -8.683 -6.653 1.00 20.42 H new ATOM 0 HD2 PRO A 22 2.431 -9.145 -3.994 1.00 4.44 H new ATOM 0 HD3 PRO A 22 3.914 -9.167 -4.927 1.00 4.44 H new ATOM 354 N GLN A 23 1.284 -5.507 -3.841 1.00 43.21 N ATOM 355 CA GLN A 23 0.193 -4.614 -3.371 1.00 24.22 C ATOM 356 C GLN A 23 0.641 -3.792 -2.143 1.00 74.14 C ATOM 357 O GLN A 23 0.290 -2.626 -2.009 1.00 41.23 O ATOM 358 CB GLN A 23 -1.072 -5.453 -3.020 1.00 41.43 C ATOM 359 CG GLN A 23 -2.247 -4.661 -2.397 1.00 65.21 C ATOM 360 CD GLN A 23 -3.478 -5.531 -2.111 1.00 74.10 C ATOM 361 OE1 GLN A 23 -4.363 -5.667 -2.946 1.00 72.41 O ATOM 362 NE2 GLN A 23 -3.537 -6.128 -0.932 1.00 24.40 N ATOM 0 H GLN A 23 1.055 -6.499 -3.779 1.00 43.21 H new ATOM 0 HA GLN A 23 -0.050 -3.920 -4.176 1.00 24.22 H new ATOM 0 HB2 GLN A 23 -1.427 -5.940 -3.928 1.00 41.43 H new ATOM 0 HB3 GLN A 23 -0.782 -6.243 -2.327 1.00 41.43 H new ATOM 0 HG2 GLN A 23 -1.913 -4.199 -1.468 1.00 65.21 H new ATOM 0 HG3 GLN A 23 -2.530 -3.853 -3.071 1.00 65.21 H new ATOM 0 HE21 GLN A 23 -2.785 -5.997 -0.256 1.00 24.40 H new ATOM 0 HE22 GLN A 23 -4.335 -6.720 -0.699 1.00 24.40 H new ATOM 371 N PHE A 24 1.477 -4.418 -1.305 1.00 31.31 N ATOM 372 CA PHE A 24 1.925 -3.854 -0.008 1.00 35.12 C ATOM 373 C PHE A 24 3.124 -2.921 -0.214 1.00 34.24 C ATOM 374 O PHE A 24 3.193 -1.847 0.393 1.00 22.24 O ATOM 375 CB PHE A 24 2.285 -4.988 0.985 1.00 25.41 C ATOM 376 CG PHE A 24 2.713 -4.517 2.382 1.00 21.34 C ATOM 377 CD1 PHE A 24 1.773 -4.010 3.280 1.00 51.15 C ATOM 378 CD2 PHE A 24 4.048 -4.584 2.793 1.00 5.33 C ATOM 379 CE1 PHE A 24 2.154 -3.582 4.540 1.00 15.35 C ATOM 380 CE2 PHE A 24 4.426 -4.157 4.051 1.00 11.51 C ATOM 381 CZ PHE A 24 3.478 -3.659 4.926 1.00 42.41 C ATOM 0 H PHE A 24 1.870 -5.339 -1.502 1.00 31.31 H new ATOM 0 HA PHE A 24 1.105 -3.274 0.416 1.00 35.12 H new ATOM 0 HB2 PHE A 24 1.423 -5.647 1.089 1.00 25.41 H new ATOM 0 HB3 PHE A 24 3.091 -5.583 0.556 1.00 25.41 H new ATOM 0 HD1 PHE A 24 0.735 -3.951 2.988 1.00 51.15 H new ATOM 0 HD2 PHE A 24 4.794 -4.975 2.117 1.00 5.33 H new ATOM 0 HE1 PHE A 24 1.415 -3.187 5.222 1.00 15.35 H new ATOM 0 HE2 PHE A 24 5.462 -4.212 4.351 1.00 11.51 H new ATOM 0 HZ PHE A 24 3.773 -3.330 5.912 1.00 42.41 H new ATOM 391 N SER A 25 4.068 -3.341 -1.077 1.00 61.44 N ATOM 392 CA SER A 25 5.225 -2.498 -1.449 1.00 65.13 C ATOM 393 C SER A 25 4.763 -1.271 -2.261 1.00 71.35 C ATOM 394 O SER A 25 5.392 -0.224 -2.214 1.00 62.42 O ATOM 395 CB SER A 25 6.281 -3.300 -2.237 1.00 63.11 C ATOM 396 OG SER A 25 7.451 -2.519 -2.480 1.00 21.31 O ATOM 0 H SER A 25 4.055 -4.255 -1.529 1.00 61.44 H new ATOM 0 HA SER A 25 5.691 -2.153 -0.526 1.00 65.13 H new ATOM 0 HB2 SER A 25 6.550 -4.197 -1.680 1.00 63.11 H new ATOM 0 HB3 SER A 25 5.857 -3.629 -3.186 1.00 63.11 H new ATOM 0 HG SER A 25 8.103 -3.053 -2.980 1.00 21.31 H new ATOM 402 N ALA A 26 3.642 -1.418 -2.985 1.00 23.43 N ATOM 403 CA ALA A 26 2.986 -0.302 -3.688 1.00 32.21 C ATOM 404 C ALA A 26 2.133 0.553 -2.730 1.00 32.21 C ATOM 405 O ALA A 26 1.990 1.737 -2.955 1.00 55.54 O ATOM 406 CB ALA A 26 2.120 -0.827 -4.835 1.00 11.22 C ATOM 0 H ALA A 26 3.165 -2.312 -3.100 1.00 23.43 H new ATOM 0 HA ALA A 26 3.772 0.335 -4.095 1.00 32.21 H new ATOM 0 HB1 ALA A 26 1.643 0.011 -5.344 1.00 11.22 H new ATOM 0 HB2 ALA A 26 2.745 -1.373 -5.542 1.00 11.22 H new ATOM 0 HB3 ALA A 26 1.355 -1.494 -4.437 1.00 11.22 H new ATOM 412 N TYR A 27 1.587 -0.070 -1.662 1.00 3.15 N ATOM 413 CA TYR A 27 0.664 0.589 -0.700 1.00 51.41 C ATOM 414 C TYR A 27 1.403 1.594 0.201 1.00 2.42 C ATOM 415 O TYR A 27 0.921 2.692 0.445 1.00 14.53 O ATOM 416 CB TYR A 27 -0.003 -0.477 0.188 1.00 23.51 C ATOM 417 CG TYR A 27 -1.080 0.052 1.162 1.00 72.34 C ATOM 418 CD1 TYR A 27 -2.365 0.372 0.708 1.00 3.43 C ATOM 419 CD2 TYR A 27 -0.810 0.240 2.525 1.00 62.41 C ATOM 420 CE1 TYR A 27 -3.336 0.858 1.573 1.00 3.41 C ATOM 421 CE2 TYR A 27 -1.777 0.722 3.387 1.00 15.40 C ATOM 422 CZ TYR A 27 -3.037 1.028 2.910 1.00 44.44 C ATOM 423 OH TYR A 27 -3.998 1.516 3.773 1.00 21.31 O ATOM 0 H TYR A 27 1.772 -1.048 -1.439 1.00 3.15 H new ATOM 0 HA TYR A 27 -0.085 1.130 -1.278 1.00 51.41 H new ATOM 0 HB2 TYR A 27 -0.458 -1.229 -0.456 1.00 23.51 H new ATOM 0 HB3 TYR A 27 0.772 -0.979 0.767 1.00 23.51 H new ATOM 0 HD1 TYR A 27 -2.606 0.238 -0.336 1.00 3.43 H new ATOM 0 HD2 TYR A 27 0.172 0.004 2.908 1.00 62.41 H new ATOM 0 HE1 TYR A 27 -4.320 1.102 1.202 1.00 3.41 H new ATOM 0 HE2 TYR A 27 -1.548 0.859 4.433 1.00 15.40 H new ATOM 0 HH TYR A 27 -3.626 1.574 4.678 1.00 21.31 H new ATOM 433 N ARG A 28 2.554 1.153 0.721 1.00 42.45 N ATOM 434 CA ARG A 28 3.419 1.960 1.606 1.00 2.04 C ATOM 435 C ARG A 28 4.062 3.134 0.842 1.00 10.03 C ATOM 436 O ARG A 28 4.340 4.183 1.418 1.00 23.42 O ATOM 437 CB ARG A 28 4.515 1.057 2.236 1.00 30.42 C ATOM 438 CG ARG A 28 5.494 0.456 1.203 1.00 21.34 C ATOM 439 CD ARG A 28 6.606 -0.400 1.819 1.00 14.43 C ATOM 440 NE ARG A 28 7.459 -0.993 0.775 1.00 52.22 N ATOM 441 CZ ARG A 28 8.569 -1.666 0.979 1.00 12.54 C ATOM 442 NH1 ARG A 28 9.064 -1.803 2.174 1.00 44.23 N ATOM 443 NH2 ARG A 28 9.192 -2.196 -0.024 1.00 24.25 N ATOM 0 H ARG A 28 2.920 0.218 0.541 1.00 42.45 H new ATOM 0 HA ARG A 28 2.801 2.381 2.399 1.00 2.04 H new ATOM 0 HB2 ARG A 28 5.080 1.640 2.963 1.00 30.42 H new ATOM 0 HB3 ARG A 28 4.035 0.246 2.783 1.00 30.42 H new ATOM 0 HG2 ARG A 28 4.931 -0.153 0.496 1.00 21.34 H new ATOM 0 HG3 ARG A 28 5.948 1.267 0.634 1.00 21.34 H new ATOM 0 HD2 ARG A 28 7.214 0.212 2.485 1.00 14.43 H new ATOM 0 HD3 ARG A 28 6.166 -1.191 2.426 1.00 14.43 H new ATOM 0 HE ARG A 28 7.162 -0.870 -0.193 1.00 52.22 H new ATOM 0 HH11 ARG A 28 8.589 -1.384 2.974 1.00 44.23 H new ATOM 0 HH12 ARG A 28 9.927 -2.329 2.311 1.00 44.23 H new ATOM 0 HH21 ARG A 28 8.821 -2.090 -0.968 1.00 24.25 H new ATOM 0 HH22 ARG A 28 10.054 -2.719 0.130 1.00 24.25 H new ATOM 457 N VAL A 29 4.276 2.929 -0.467 1.00 72.00 N ATOM 458 CA VAL A 29 4.865 3.962 -1.359 1.00 54.32 C ATOM 459 C VAL A 29 3.772 4.933 -1.839 1.00 30.44 C ATOM 460 O VAL A 29 4.005 6.130 -1.998 1.00 31.24 O ATOM 461 CB VAL A 29 5.627 3.301 -2.567 1.00 73.11 C ATOM 462 CG1 VAL A 29 6.092 4.342 -3.609 1.00 31.00 C ATOM 463 CG2 VAL A 29 6.831 2.478 -2.054 1.00 51.24 C ATOM 0 H VAL A 29 4.051 2.054 -0.941 1.00 72.00 H new ATOM 0 HA VAL A 29 5.600 4.534 -0.793 1.00 54.32 H new ATOM 0 HB VAL A 29 4.923 2.637 -3.069 1.00 73.11 H new ATOM 0 HG11 VAL A 29 6.612 3.836 -4.422 1.00 31.00 H new ATOM 0 HG12 VAL A 29 5.226 4.871 -4.006 1.00 31.00 H new ATOM 0 HG13 VAL A 29 6.767 5.055 -3.135 1.00 31.00 H new ATOM 0 HG21 VAL A 29 7.350 2.026 -2.900 1.00 51.24 H new ATOM 0 HG22 VAL A 29 7.516 3.133 -1.516 1.00 51.24 H new ATOM 0 HG23 VAL A 29 6.477 1.694 -1.384 1.00 51.24 H new ATOM 473 N LYS A 30 2.576 4.384 -2.043 1.00 31.44 N ATOM 474 CA LYS A 30 1.349 5.151 -2.267 1.00 13.42 C ATOM 475 C LYS A 30 1.053 6.032 -1.038 1.00 21.31 C ATOM 476 O LYS A 30 0.730 7.194 -1.180 1.00 44.33 O ATOM 477 CB LYS A 30 0.186 4.156 -2.558 1.00 10.33 C ATOM 478 CG LYS A 30 -1.201 4.508 -1.976 1.00 24.12 C ATOM 479 CD LYS A 30 -2.166 3.308 -2.037 1.00 2.50 C ATOM 480 CE LYS A 30 -3.532 3.598 -1.393 1.00 25.41 C ATOM 481 NZ LYS A 30 -4.265 4.676 -2.104 1.00 51.23 N ATOM 0 H LYS A 30 2.428 3.375 -2.058 1.00 31.44 H new ATOM 0 HA LYS A 30 1.462 5.814 -3.125 1.00 13.42 H new ATOM 0 HB2 LYS A 30 0.085 4.060 -3.639 1.00 10.33 H new ATOM 0 HB3 LYS A 30 0.475 3.177 -2.176 1.00 10.33 H new ATOM 0 HG2 LYS A 30 -1.090 4.833 -0.942 1.00 24.12 H new ATOM 0 HG3 LYS A 30 -1.626 5.345 -2.529 1.00 24.12 H new ATOM 0 HD2 LYS A 30 -2.315 3.022 -3.078 1.00 2.50 H new ATOM 0 HD3 LYS A 30 -1.708 2.456 -1.535 1.00 2.50 H new ATOM 0 HE2 LYS A 30 -4.134 2.689 -1.394 1.00 25.41 H new ATOM 0 HE3 LYS A 30 -3.388 3.884 -0.351 1.00 25.41 H new ATOM 0 HZ1 LYS A 30 -5.194 4.816 -1.658 1.00 51.23 H new ATOM 0 HZ2 LYS A 30 -3.719 5.560 -2.052 1.00 51.23 H new ATOM 0 HZ3 LYS A 30 -4.396 4.408 -3.100 1.00 51.23 H new ATOM 495 N ALA A 31 1.220 5.466 0.172 1.00 74.35 N ATOM 496 CA ALA A 31 0.902 6.178 1.425 1.00 51.33 C ATOM 497 C ALA A 31 1.929 7.285 1.671 1.00 40.52 C ATOM 498 O ALA A 31 1.574 8.401 2.051 1.00 43.01 O ATOM 499 CB ALA A 31 0.857 5.216 2.616 1.00 13.52 C ATOM 0 H ALA A 31 1.573 4.519 0.309 1.00 74.35 H new ATOM 0 HA ALA A 31 -0.087 6.624 1.322 1.00 51.33 H new ATOM 0 HB1 ALA A 31 0.620 5.771 3.524 1.00 13.52 H new ATOM 0 HB2 ALA A 31 0.092 4.459 2.444 1.00 13.52 H new ATOM 0 HB3 ALA A 31 1.827 4.732 2.729 1.00 13.52 H new ATOM 505 N TYR A 32 3.205 6.955 1.427 1.00 53.44 N ATOM 506 CA TYR A 32 4.323 7.889 1.581 1.00 12.21 C ATOM 507 C TYR A 32 4.184 9.075 0.619 1.00 71.42 C ATOM 508 O TYR A 32 3.997 10.194 1.055 1.00 4.24 O ATOM 509 CB TYR A 32 5.677 7.148 1.389 1.00 53.31 C ATOM 510 CG TYR A 32 6.926 8.041 1.547 1.00 54.40 C ATOM 511 CD1 TYR A 32 7.284 8.566 2.793 1.00 24.50 C ATOM 512 CD2 TYR A 32 7.730 8.369 0.452 1.00 3.03 C ATOM 513 CE1 TYR A 32 8.392 9.380 2.936 1.00 51.45 C ATOM 514 CE2 TYR A 32 8.835 9.183 0.594 1.00 24.41 C ATOM 515 CZ TYR A 32 9.164 9.685 1.837 1.00 44.31 C ATOM 516 OH TYR A 32 10.270 10.494 1.979 1.00 72.43 O ATOM 0 H TYR A 32 3.489 6.026 1.115 1.00 53.44 H new ATOM 0 HA TYR A 32 4.303 8.292 2.594 1.00 12.21 H new ATOM 0 HB2 TYR A 32 5.736 6.333 2.110 1.00 53.31 H new ATOM 0 HB3 TYR A 32 5.692 6.697 0.397 1.00 53.31 H new ATOM 0 HD1 TYR A 32 6.684 8.331 3.659 1.00 24.50 H new ATOM 0 HD2 TYR A 32 7.482 7.978 -0.524 1.00 3.03 H new ATOM 0 HE1 TYR A 32 8.652 9.776 3.907 1.00 51.45 H new ATOM 0 HE2 TYR A 32 9.441 9.427 -0.266 1.00 24.41 H new ATOM 0 HH TYR A 32 10.705 10.610 1.108 1.00 72.43 H new ATOM 526 N ASN A 33 4.206 8.789 -0.678 1.00 5.22 N ATOM 527 CA ASN A 33 4.202 9.818 -1.748 1.00 64.10 C ATOM 528 C ASN A 33 2.887 10.624 -1.828 1.00 44.05 C ATOM 529 O ASN A 33 2.926 11.847 -1.958 1.00 23.32 O ATOM 530 CB ASN A 33 4.519 9.181 -3.120 1.00 14.32 C ATOM 531 CG ASN A 33 5.912 8.554 -3.196 1.00 73.24 C ATOM 532 OD1 ASN A 33 6.838 8.983 -2.528 1.00 53.21 O ATOM 533 ND2 ASN A 33 6.073 7.541 -4.018 1.00 40.23 N ATOM 0 H ASN A 33 4.227 7.833 -1.034 1.00 5.22 H new ATOM 0 HA ASN A 33 4.985 10.528 -1.482 1.00 64.10 H new ATOM 0 HB2 ASN A 33 3.773 8.416 -3.337 1.00 14.32 H new ATOM 0 HB3 ASN A 33 4.430 9.943 -3.894 1.00 14.32 H new ATOM 0 HD21 ASN A 33 6.987 7.097 -4.107 1.00 40.23 H new ATOM 0 HD22 ASN A 33 5.284 7.199 -4.567 1.00 40.23 H new ATOM 540 N SER A 34 1.732 9.942 -1.747 1.00 21.31 N ATOM 541 CA SER A 34 0.401 10.612 -1.894 1.00 11.14 C ATOM 542 C SER A 34 0.120 11.545 -0.712 1.00 34.13 C ATOM 543 O SER A 34 -0.169 12.732 -0.911 1.00 75.33 O ATOM 544 CB SER A 34 -0.755 9.597 -2.031 1.00 54.34 C ATOM 545 OG SER A 34 -2.023 10.231 -2.151 1.00 40.22 O ATOM 0 H SER A 34 1.678 8.937 -1.583 1.00 21.31 H new ATOM 0 HA SER A 34 0.452 11.195 -2.813 1.00 11.14 H new ATOM 0 HB2 SER A 34 -0.582 8.969 -2.905 1.00 54.34 H new ATOM 0 HB3 SER A 34 -0.762 8.939 -1.162 1.00 54.34 H new ATOM 0 HG SER A 34 -2.722 9.550 -2.237 1.00 40.22 H new ATOM 551 N ALA A 35 0.236 11.003 0.521 1.00 34.35 N ATOM 552 CA ALA A 35 0.043 11.792 1.753 1.00 2.21 C ATOM 553 C ALA A 35 1.089 12.910 1.868 1.00 34.41 C ATOM 554 O ALA A 35 0.738 14.015 2.222 1.00 3.22 O ATOM 555 CB ALA A 35 0.057 10.907 3.001 1.00 41.00 C ATOM 0 H ALA A 35 0.462 10.022 0.687 1.00 34.35 H new ATOM 0 HA ALA A 35 -0.942 12.254 1.686 1.00 2.21 H new ATOM 0 HB1 ALA A 35 -0.088 11.525 3.887 1.00 41.00 H new ATOM 0 HB2 ALA A 35 -0.746 10.173 2.935 1.00 41.00 H new ATOM 0 HB3 ALA A 35 1.015 10.392 3.071 1.00 41.00 H new ATOM 561 N ALA A 36 2.364 12.615 1.526 1.00 23.40 N ATOM 562 CA ALA A 36 3.461 13.634 1.564 1.00 52.14 C ATOM 563 C ALA A 36 3.178 14.830 0.636 1.00 24.41 C ATOM 564 O ALA A 36 3.254 15.976 1.059 1.00 3.31 O ATOM 565 CB ALA A 36 4.819 13.021 1.203 1.00 31.25 C ATOM 0 H ALA A 36 2.666 11.690 1.222 1.00 23.40 H new ATOM 0 HA ALA A 36 3.497 13.995 2.592 1.00 52.14 H new ATOM 0 HB1 ALA A 36 5.588 13.792 1.242 1.00 31.25 H new ATOM 0 HB2 ALA A 36 5.062 12.230 1.913 1.00 31.25 H new ATOM 0 HB3 ALA A 36 4.774 12.604 0.197 1.00 31.25 H new ATOM 571 N SER A 37 2.835 14.535 -0.629 1.00 42.30 N ATOM 572 CA SER A 37 2.544 15.567 -1.658 1.00 13.01 C ATOM 573 C SER A 37 1.303 16.410 -1.293 1.00 51.21 C ATOM 574 O SER A 37 1.276 17.615 -1.535 1.00 53.05 O ATOM 575 CB SER A 37 2.334 14.908 -3.040 1.00 73.12 C ATOM 576 OG SER A 37 3.514 14.256 -3.499 1.00 33.45 O ATOM 0 H SER A 37 2.750 13.579 -0.974 1.00 42.30 H new ATOM 0 HA SER A 37 3.406 16.233 -1.698 1.00 13.01 H new ATOM 0 HB2 SER A 37 1.520 14.186 -2.978 1.00 73.12 H new ATOM 0 HB3 SER A 37 2.033 15.667 -3.763 1.00 73.12 H new ATOM 0 HG SER A 37 3.577 13.367 -3.091 1.00 33.45 H new ATOM 582 N SER A 38 0.278 15.761 -0.703 1.00 24.33 N ATOM 583 CA SER A 38 -0.987 16.433 -0.324 1.00 72.14 C ATOM 584 C SER A 38 -0.861 17.188 1.010 1.00 64.21 C ATOM 585 O SER A 38 -1.602 18.139 1.248 1.00 1.34 O ATOM 586 CB SER A 38 -2.138 15.413 -0.271 1.00 41.11 C ATOM 587 OG SER A 38 -1.877 14.395 0.676 1.00 30.34 O ATOM 0 H SER A 38 0.300 14.767 -0.477 1.00 24.33 H new ATOM 0 HA SER A 38 -1.210 17.175 -1.091 1.00 72.14 H new ATOM 0 HB2 SER A 38 -3.067 15.922 -0.015 1.00 41.11 H new ATOM 0 HB3 SER A 38 -2.279 14.969 -1.256 1.00 41.11 H new ATOM 0 HG SER A 38 -1.300 13.713 0.273 1.00 30.34 H new ATOM 593 N ASP A 39 0.071 16.749 1.873 1.00 14.43 N ATOM 594 CA ASP A 39 0.491 17.527 3.055 1.00 23.23 C ATOM 595 C ASP A 39 1.193 18.810 2.595 1.00 54.31 C ATOM 596 O ASP A 39 0.794 19.893 2.961 1.00 72.34 O ATOM 597 CB ASP A 39 1.455 16.728 3.978 1.00 72.24 C ATOM 598 CG ASP A 39 0.808 15.558 4.737 1.00 54.12 C ATOM 599 OD1 ASP A 39 -0.423 15.546 4.912 1.00 31.14 O ATOM 600 OD2 ASP A 39 1.547 14.652 5.182 1.00 12.55 O ATOM 0 H ASP A 39 0.551 15.855 1.774 1.00 14.43 H new ATOM 0 HA ASP A 39 -0.406 17.758 3.629 1.00 23.23 H new ATOM 0 HB2 ASP A 39 2.274 16.340 3.373 1.00 72.24 H new ATOM 0 HB3 ASP A 39 1.892 17.415 4.703 1.00 72.24 H new ATOM 605 N LEU A 40 2.202 18.650 1.723 1.00 30.23 N ATOM 606 CA LEU A 40 3.040 19.767 1.229 1.00 5.43 C ATOM 607 C LEU A 40 2.212 20.778 0.400 1.00 22.15 C ATOM 608 O LEU A 40 2.514 21.970 0.382 1.00 75.25 O ATOM 609 CB LEU A 40 4.234 19.219 0.402 1.00 13.01 C ATOM 610 CG LEU A 40 5.306 18.405 1.204 1.00 32.53 C ATOM 611 CD1 LEU A 40 6.354 17.764 0.266 1.00 3.45 C ATOM 612 CD2 LEU A 40 5.990 19.280 2.286 1.00 75.32 C ATOM 0 H LEU A 40 2.464 17.743 1.337 1.00 30.23 H new ATOM 0 HA LEU A 40 3.431 20.302 2.095 1.00 5.43 H new ATOM 0 HB2 LEU A 40 3.840 18.582 -0.390 1.00 13.01 H new ATOM 0 HB3 LEU A 40 4.732 20.059 -0.082 1.00 13.01 H new ATOM 0 HG LEU A 40 4.781 17.597 1.712 1.00 32.53 H new ATOM 0 HD11 LEU A 40 7.081 17.208 0.858 1.00 3.45 H new ATOM 0 HD12 LEU A 40 5.856 17.086 -0.427 1.00 3.45 H new ATOM 0 HD13 LEU A 40 6.866 18.545 -0.296 1.00 3.45 H new ATOM 0 HD21 LEU A 40 6.728 18.684 2.823 1.00 75.32 H new ATOM 0 HD22 LEU A 40 6.485 20.127 1.810 1.00 75.32 H new ATOM 0 HD23 LEU A 40 5.239 19.645 2.987 1.00 75.32 H new ATOM 624 N ARG A 41 1.156 20.279 -0.264 1.00 31.32 N ATOM 625 CA ARG A 41 0.203 21.109 -1.016 1.00 71.30 C ATOM 626 C ARG A 41 -0.749 21.855 -0.053 1.00 54.33 C ATOM 627 O ARG A 41 -1.009 23.044 -0.225 1.00 51.24 O ATOM 628 CB ARG A 41 -0.586 20.218 -2.008 1.00 42.32 C ATOM 629 CG ARG A 41 -1.552 20.980 -2.935 1.00 63.41 C ATOM 630 CD ARG A 41 -2.203 20.070 -3.993 1.00 41.52 C ATOM 631 NE ARG A 41 -2.950 18.953 -3.382 1.00 63.15 N ATOM 632 CZ ARG A 41 -3.026 17.726 -3.857 1.00 60.32 C ATOM 633 NH1 ARG A 41 -2.439 17.391 -4.962 1.00 24.35 N ATOM 634 NH2 ARG A 41 -3.710 16.836 -3.225 1.00 73.40 N ATOM 0 H ARG A 41 0.939 19.283 -0.294 1.00 31.32 H new ATOM 0 HA ARG A 41 0.750 21.863 -1.583 1.00 71.30 H new ATOM 0 HB2 ARG A 41 0.125 19.666 -2.623 1.00 42.32 H new ATOM 0 HB3 ARG A 41 -1.155 19.482 -1.440 1.00 42.32 H new ATOM 0 HG2 ARG A 41 -2.332 21.448 -2.334 1.00 63.41 H new ATOM 0 HG3 ARG A 41 -1.011 21.783 -3.436 1.00 63.41 H new ATOM 0 HD2 ARG A 41 -2.878 20.661 -4.613 1.00 41.52 H new ATOM 0 HD3 ARG A 41 -1.431 19.672 -4.652 1.00 41.52 H new ATOM 0 HE ARG A 41 -3.452 19.148 -2.516 1.00 63.15 H new ATOM 0 HH11 ARG A 41 -1.903 18.084 -5.485 1.00 24.35 H new ATOM 0 HH12 ARG A 41 -2.513 16.435 -5.309 1.00 24.35 H new ATOM 0 HH21 ARG A 41 -4.191 17.082 -2.360 1.00 73.40 H new ATOM 0 HH22 ARG A 41 -3.771 15.885 -3.590 1.00 73.40 H new ATOM 648 N ASN A 42 -1.240 21.141 0.974 1.00 54.53 N ATOM 649 CA ASN A 42 -2.172 21.700 1.991 1.00 21.33 C ATOM 650 C ASN A 42 -1.474 22.737 2.924 1.00 5.11 C ATOM 651 O ASN A 42 -2.096 23.716 3.353 1.00 23.21 O ATOM 652 CB ASN A 42 -2.780 20.550 2.827 1.00 0.12 C ATOM 653 CG ASN A 42 -3.887 20.995 3.795 1.00 34.04 C ATOM 654 OD1 ASN A 42 -4.654 21.909 3.512 1.00 23.40 O ATOM 655 ND2 ASN A 42 -3.989 20.341 4.940 1.00 0.41 N ATOM 0 H ASN A 42 -1.008 20.160 1.130 1.00 54.53 H new ATOM 0 HA ASN A 42 -2.964 22.229 1.461 1.00 21.33 H new ATOM 0 HB2 ASN A 42 -3.185 19.798 2.150 1.00 0.12 H new ATOM 0 HB3 ASN A 42 -1.985 20.070 3.397 1.00 0.12 H new ATOM 0 HD21 ASN A 42 -4.717 20.594 5.609 1.00 0.41 H new ATOM 0 HD22 ASN A 42 -3.340 19.584 5.154 1.00 0.41 H new ATOM 662 N LEU A 43 -0.187 22.515 3.231 1.00 54.12 N ATOM 663 CA LEU A 43 0.603 23.420 4.092 1.00 75.22 C ATOM 664 C LEU A 43 1.031 24.675 3.294 1.00 3.44 C ATOM 665 O LEU A 43 1.134 25.776 3.852 1.00 23.04 O ATOM 666 CB LEU A 43 1.858 22.693 4.661 1.00 53.41 C ATOM 667 CG LEU A 43 1.598 21.422 5.537 1.00 34.14 C ATOM 668 CD1 LEU A 43 2.922 20.775 6.004 1.00 62.13 C ATOM 669 CD2 LEU A 43 0.665 21.723 6.733 1.00 32.42 C ATOM 0 H LEU A 43 0.337 21.708 2.893 1.00 54.12 H new ATOM 0 HA LEU A 43 -0.023 23.726 4.930 1.00 75.22 H new ATOM 0 HB2 LEU A 43 2.493 22.405 3.823 1.00 53.41 H new ATOM 0 HB3 LEU A 43 2.424 23.408 5.258 1.00 53.41 H new ATOM 0 HG LEU A 43 1.083 20.700 4.903 1.00 34.14 H new ATOM 0 HD11 LEU A 43 2.703 19.896 6.610 1.00 62.13 H new ATOM 0 HD12 LEU A 43 3.509 20.480 5.134 1.00 62.13 H new ATOM 0 HD13 LEU A 43 3.488 21.493 6.598 1.00 62.13 H new ATOM 0 HD21 LEU A 43 0.512 20.813 7.313 1.00 32.42 H new ATOM 0 HD22 LEU A 43 1.119 22.485 7.366 1.00 32.42 H new ATOM 0 HD23 LEU A 43 -0.295 22.083 6.364 1.00 32.42 H new ATOM 681 N LYS A 44 1.254 24.494 1.974 1.00 43.01 N ATOM 682 CA LYS A 44 1.649 25.592 1.069 1.00 24.33 C ATOM 683 C LYS A 44 0.429 26.464 0.709 1.00 51.44 C ATOM 684 O LYS A 44 0.556 27.675 0.602 1.00 11.43 O ATOM 685 CB LYS A 44 2.310 25.038 -0.219 1.00 52.11 C ATOM 686 CG LYS A 44 2.798 26.121 -1.218 1.00 5.14 C ATOM 687 CD LYS A 44 3.474 25.524 -2.478 1.00 12.22 C ATOM 688 CE LYS A 44 2.537 24.600 -3.277 1.00 31.05 C ATOM 689 NZ LYS A 44 3.169 24.122 -4.534 1.00 53.20 N ATOM 0 H LYS A 44 1.166 23.590 1.510 1.00 43.01 H new ATOM 0 HA LYS A 44 2.379 26.211 1.591 1.00 24.33 H new ATOM 0 HB2 LYS A 44 3.159 24.416 0.064 1.00 52.11 H new ATOM 0 HB3 LYS A 44 1.596 24.390 -0.727 1.00 52.11 H new ATOM 0 HG2 LYS A 44 1.950 26.734 -1.524 1.00 5.14 H new ATOM 0 HG3 LYS A 44 3.503 26.782 -0.713 1.00 5.14 H new ATOM 0 HD2 LYS A 44 3.812 26.336 -3.122 1.00 12.22 H new ATOM 0 HD3 LYS A 44 4.360 24.964 -2.179 1.00 12.22 H new ATOM 0 HE2 LYS A 44 2.260 23.744 -2.662 1.00 31.05 H new ATOM 0 HE3 LYS A 44 1.616 25.133 -3.514 1.00 31.05 H new ATOM 0 HZ1 LYS A 44 2.506 23.503 -5.042 1.00 53.20 H new ATOM 0 HZ2 LYS A 44 3.410 24.937 -5.133 1.00 53.20 H new ATOM 0 HZ3 LYS A 44 4.034 23.591 -4.307 1.00 53.20 H new ATOM 703 N THR A 45 -0.743 25.828 0.543 1.00 21.41 N ATOM 704 CA THR A 45 -2.006 26.533 0.207 1.00 35.33 C ATOM 705 C THR A 45 -2.507 27.363 1.411 1.00 5.21 C ATOM 706 O THR A 45 -3.143 28.404 1.251 1.00 71.50 O ATOM 707 CB THR A 45 -3.104 25.524 -0.290 1.00 71.42 C ATOM 708 OG1 THR A 45 -4.072 26.201 -1.108 1.00 42.20 O ATOM 709 CG2 THR A 45 -3.851 24.803 0.846 1.00 74.31 C ATOM 0 H THR A 45 -0.849 24.818 0.636 1.00 21.41 H new ATOM 0 HA THR A 45 -1.801 27.222 -0.612 1.00 35.33 H new ATOM 0 HB THR A 45 -2.564 24.768 -0.859 1.00 71.42 H new ATOM 0 HG1 THR A 45 -4.749 25.561 -1.412 1.00 42.20 H new ATOM 0 HG21 THR A 45 -4.591 24.125 0.422 1.00 74.31 H new ATOM 0 HG22 THR A 45 -3.140 24.235 1.446 1.00 74.31 H new ATOM 0 HG23 THR A 45 -4.352 25.538 1.476 1.00 74.31 H new ATOM 717 N ALA A 46 -2.196 26.854 2.618 1.00 43.15 N ATOM 718 CA ALA A 46 -2.360 27.582 3.895 1.00 30.51 C ATOM 719 C ALA A 46 -1.399 28.791 3.974 1.00 64.54 C ATOM 720 O ALA A 46 -1.790 29.889 4.389 1.00 23.33 O ATOM 721 CB ALA A 46 -2.114 26.631 5.077 1.00 61.40 C ATOM 0 H ALA A 46 -1.819 25.914 2.737 1.00 43.15 H new ATOM 0 HA ALA A 46 -3.382 27.959 3.944 1.00 30.51 H new ATOM 0 HB1 ALA A 46 -2.237 27.175 6.013 1.00 61.40 H new ATOM 0 HB2 ALA A 46 -2.829 25.810 5.038 1.00 61.40 H new ATOM 0 HB3 ALA A 46 -1.101 26.233 5.019 1.00 61.40 H new ATOM 727 N LEU A 47 -0.132 28.565 3.565 1.00 13.32 N ATOM 728 CA LEU A 47 0.912 29.614 3.510 1.00 63.14 C ATOM 729 C LEU A 47 0.544 30.724 2.486 1.00 61.35 C ATOM 730 O LEU A 47 0.838 31.901 2.704 1.00 32.34 O ATOM 731 CB LEU A 47 2.283 28.966 3.163 1.00 13.54 C ATOM 732 CG LEU A 47 3.538 29.897 3.218 1.00 12.24 C ATOM 733 CD1 LEU A 47 3.720 30.521 4.620 1.00 72.13 C ATOM 734 CD2 LEU A 47 4.813 29.136 2.785 1.00 11.05 C ATOM 0 H LEU A 47 0.197 27.648 3.263 1.00 13.32 H new ATOM 0 HA LEU A 47 0.982 30.090 4.488 1.00 63.14 H new ATOM 0 HB2 LEU A 47 2.448 28.133 3.847 1.00 13.54 H new ATOM 0 HB3 LEU A 47 2.216 28.546 2.159 1.00 13.54 H new ATOM 0 HG LEU A 47 3.372 30.711 2.513 1.00 12.24 H new ATOM 0 HD11 LEU A 47 4.602 31.162 4.621 1.00 72.13 H new ATOM 0 HD12 LEU A 47 2.840 31.113 4.872 1.00 72.13 H new ATOM 0 HD13 LEU A 47 3.847 29.728 5.357 1.00 72.13 H new ATOM 0 HD21 LEU A 47 5.671 29.807 2.832 1.00 11.05 H new ATOM 0 HD22 LEU A 47 4.976 28.290 3.453 1.00 11.05 H new ATOM 0 HD23 LEU A 47 4.692 28.774 1.764 1.00 11.05 H new ATOM 746 N GLU A 48 -0.119 30.324 1.383 1.00 2.02 N ATOM 747 CA GLU A 48 -0.669 31.254 0.380 1.00 43.23 C ATOM 748 C GLU A 48 -1.824 32.066 0.989 1.00 0.55 C ATOM 749 O GLU A 48 -1.854 33.277 0.874 1.00 53.14 O ATOM 750 CB GLU A 48 -1.181 30.493 -0.880 1.00 45.00 C ATOM 751 CG GLU A 48 -0.101 29.760 -1.706 1.00 53.12 C ATOM 752 CD GLU A 48 0.978 30.673 -2.324 1.00 60.20 C ATOM 753 OE1 GLU A 48 0.652 31.801 -2.760 1.00 21.14 O ATOM 754 OE2 GLU A 48 2.147 30.242 -2.434 1.00 71.05 O ATOM 0 H GLU A 48 -0.288 29.342 1.163 1.00 2.02 H new ATOM 0 HA GLU A 48 0.134 31.925 0.076 1.00 43.23 H new ATOM 0 HB2 GLU A 48 -1.927 29.764 -0.563 1.00 45.00 H new ATOM 0 HB3 GLU A 48 -1.688 31.205 -1.531 1.00 45.00 H new ATOM 0 HG2 GLU A 48 0.389 29.026 -1.066 1.00 53.12 H new ATOM 0 HG3 GLU A 48 -0.591 29.208 -2.508 1.00 53.12 H new ATOM 761 N SER A 49 -2.748 31.363 1.663 1.00 32.03 N ATOM 762 CA SER A 49 -3.970 31.963 2.252 1.00 22.13 C ATOM 763 C SER A 49 -3.658 33.095 3.259 1.00 60.45 C ATOM 764 O SER A 49 -4.287 34.150 3.223 1.00 33.50 O ATOM 765 CB SER A 49 -4.829 30.868 2.933 1.00 50.21 C ATOM 766 OG SER A 49 -5.975 31.410 3.573 1.00 35.22 O ATOM 0 H SER A 49 -2.674 30.358 1.819 1.00 32.03 H new ATOM 0 HA SER A 49 -4.528 32.412 1.431 1.00 22.13 H new ATOM 0 HB2 SER A 49 -5.142 30.137 2.187 1.00 50.21 H new ATOM 0 HB3 SER A 49 -4.223 30.336 3.666 1.00 50.21 H new ATOM 0 HG SER A 49 -6.490 30.687 3.988 1.00 35.22 H new ATOM 772 N ALA A 50 -2.669 32.862 4.135 1.00 50.03 N ATOM 773 CA ALA A 50 -2.228 33.848 5.148 1.00 44.23 C ATOM 774 C ALA A 50 -1.445 35.028 4.529 1.00 33.04 C ATOM 775 O ALA A 50 -1.775 36.203 4.748 1.00 12.31 O ATOM 776 CB ALA A 50 -1.358 33.153 6.202 1.00 14.40 C ATOM 0 H ALA A 50 -2.148 31.985 4.166 1.00 50.03 H new ATOM 0 HA ALA A 50 -3.127 34.260 5.608 1.00 44.23 H new ATOM 0 HB1 ALA A 50 -1.035 33.882 6.946 1.00 14.40 H new ATOM 0 HB2 ALA A 50 -1.935 32.368 6.690 1.00 14.40 H new ATOM 0 HB3 ALA A 50 -0.484 32.715 5.721 1.00 14.40 H new ATOM 782 N PHE A 51 -0.415 34.690 3.738 1.00 14.32 N ATOM 783 CA PHE A 51 0.576 35.671 3.224 1.00 4.20 C ATOM 784 C PHE A 51 -0.042 36.583 2.136 1.00 23.15 C ATOM 785 O PHE A 51 0.290 37.768 2.042 1.00 64.44 O ATOM 786 CB PHE A 51 1.819 34.910 2.690 1.00 43.24 C ATOM 787 CG PHE A 51 3.006 35.787 2.271 1.00 30.05 C ATOM 788 CD1 PHE A 51 3.633 36.630 3.192 1.00 4.54 C ATOM 789 CD2 PHE A 51 3.501 35.760 0.966 1.00 10.01 C ATOM 790 CE1 PHE A 51 4.708 37.417 2.818 1.00 0.25 C ATOM 791 CE2 PHE A 51 4.577 36.546 0.595 1.00 70.13 C ATOM 792 CZ PHE A 51 5.181 37.373 1.520 1.00 3.54 C ATOM 0 H PHE A 51 -0.239 33.733 3.432 1.00 14.32 H new ATOM 0 HA PHE A 51 0.885 36.325 4.040 1.00 4.20 H new ATOM 0 HB2 PHE A 51 2.157 34.217 3.461 1.00 43.24 H new ATOM 0 HB3 PHE A 51 1.514 34.309 1.833 1.00 43.24 H new ATOM 0 HD1 PHE A 51 3.274 36.668 4.210 1.00 4.54 H new ATOM 0 HD2 PHE A 51 3.037 35.115 0.235 1.00 10.01 H new ATOM 0 HE1 PHE A 51 5.178 38.067 3.541 1.00 0.25 H new ATOM 0 HE2 PHE A 51 4.945 36.512 -0.420 1.00 70.13 H new ATOM 0 HZ PHE A 51 6.022 37.985 1.230 1.00 3.54 H new ATOM 802 N ALA A 52 -0.969 36.011 1.347 1.00 44.01 N ATOM 803 CA ALA A 52 -1.681 36.738 0.270 1.00 63.33 C ATOM 804 C ALA A 52 -2.835 37.597 0.821 1.00 1.11 C ATOM 805 O ALA A 52 -3.156 38.630 0.238 1.00 4.41 O ATOM 806 CB ALA A 52 -2.204 35.771 -0.801 1.00 42.24 C ATOM 0 H ALA A 52 -1.248 35.034 1.434 1.00 44.01 H new ATOM 0 HA ALA A 52 -0.955 37.409 -0.191 1.00 63.33 H new ATOM 0 HB1 ALA A 52 -2.722 36.334 -1.578 1.00 42.24 H new ATOM 0 HB2 ALA A 52 -1.367 35.229 -1.242 1.00 42.24 H new ATOM 0 HB3 ALA A 52 -2.895 35.062 -0.345 1.00 42.24 H new ATOM 812 N ASP A 53 -3.452 37.158 1.944 1.00 51.23 N ATOM 813 CA ASP A 53 -4.547 37.905 2.621 1.00 31.55 C ATOM 814 C ASP A 53 -4.122 39.348 2.969 1.00 75.10 C ATOM 815 O ASP A 53 -4.868 40.301 2.726 1.00 55.13 O ATOM 816 CB ASP A 53 -4.990 37.161 3.907 1.00 65.53 C ATOM 817 CG ASP A 53 -6.131 37.862 4.672 1.00 0.14 C ATOM 818 OD1 ASP A 53 -7.315 37.616 4.358 1.00 52.24 O ATOM 819 OD2 ASP A 53 -5.850 38.665 5.592 1.00 73.15 O ATOM 0 H ASP A 53 -3.209 36.282 2.406 1.00 51.23 H new ATOM 0 HA ASP A 53 -5.386 37.960 1.927 1.00 31.55 H new ATOM 0 HB2 ASP A 53 -5.310 36.154 3.640 1.00 65.53 H new ATOM 0 HB3 ASP A 53 -4.131 37.058 4.570 1.00 65.53 H new ATOM 824 N ASP A 54 -2.917 39.491 3.542 1.00 53.02 N ATOM 825 CA ASP A 54 -2.365 40.806 3.899 1.00 2.23 C ATOM 826 C ASP A 54 -2.080 41.651 2.626 1.00 20.14 C ATOM 827 O ASP A 54 -2.548 42.790 2.498 1.00 4.31 O ATOM 828 CB ASP A 54 -1.087 40.615 4.750 1.00 12.24 C ATOM 829 CG ASP A 54 -0.523 41.939 5.304 1.00 54.32 C ATOM 830 OD1 ASP A 54 -1.023 42.423 6.343 1.00 5.51 O ATOM 831 OD2 ASP A 54 0.401 42.511 4.692 1.00 50.50 O ATOM 0 H ASP A 54 -2.304 38.708 3.769 1.00 53.02 H new ATOM 0 HA ASP A 54 -3.098 41.354 4.491 1.00 2.23 H new ATOM 0 HB2 ASP A 54 -1.308 39.946 5.581 1.00 12.24 H new ATOM 0 HB3 ASP A 54 -0.324 40.128 4.143 1.00 12.24 H new ATOM 836 N GLN A 55 -1.353 41.055 1.659 1.00 10.11 N ATOM 837 CA GLN A 55 -0.893 41.760 0.432 1.00 21.33 C ATOM 838 C GLN A 55 -1.917 41.676 -0.742 1.00 72.10 C ATOM 839 O GLN A 55 -1.536 41.900 -1.902 1.00 34.55 O ATOM 840 CB GLN A 55 0.492 41.186 -0.005 1.00 64.34 C ATOM 841 CG GLN A 55 0.443 39.739 -0.525 1.00 55.42 C ATOM 842 CD GLN A 55 1.800 39.186 -0.972 1.00 71.30 C ATOM 843 OE1 GLN A 55 2.682 39.918 -1.407 1.00 11.45 O ATOM 844 NE2 GLN A 55 1.968 37.886 -0.884 1.00 34.30 N ATOM 0 H GLN A 55 -1.066 40.077 1.700 1.00 10.11 H new ATOM 0 HA GLN A 55 -0.800 42.818 0.678 1.00 21.33 H new ATOM 0 HB2 GLN A 55 0.908 41.825 -0.784 1.00 64.34 H new ATOM 0 HB3 GLN A 55 1.175 41.232 0.843 1.00 64.34 H new ATOM 0 HG2 GLN A 55 0.042 39.097 0.259 1.00 55.42 H new ATOM 0 HG3 GLN A 55 -0.251 39.690 -1.364 1.00 55.42 H new ATOM 0 HE21 GLN A 55 1.219 37.299 -0.518 1.00 34.30 H new ATOM 0 HE22 GLN A 55 2.848 37.464 -1.181 1.00 34.30 H new ATOM 853 N THR A 56 -3.212 41.383 -0.428 1.00 40.32 N ATOM 854 CA THR A 56 -4.322 41.321 -1.431 1.00 24.22 C ATOM 855 C THR A 56 -4.325 42.559 -2.359 1.00 33.22 C ATOM 856 O THR A 56 -4.482 42.447 -3.577 1.00 21.21 O ATOM 857 CB THR A 56 -5.721 41.184 -0.726 1.00 64.32 C ATOM 858 OG1 THR A 56 -5.757 39.982 0.058 1.00 72.44 O ATOM 859 CG2 THR A 56 -6.901 41.156 -1.725 1.00 75.54 C ATOM 0 H THR A 56 -3.517 41.183 0.525 1.00 40.32 H new ATOM 0 HA THR A 56 -4.145 40.434 -2.040 1.00 24.22 H new ATOM 0 HB THR A 56 -5.837 42.066 -0.097 1.00 64.32 H new ATOM 0 HG1 THR A 56 -5.450 40.176 0.968 1.00 72.44 H new ATOM 0 HG21 THR A 56 -7.839 41.060 -1.178 1.00 75.54 H new ATOM 0 HG22 THR A 56 -6.911 42.080 -2.303 1.00 75.54 H new ATOM 0 HG23 THR A 56 -6.786 40.308 -2.400 1.00 75.54 H new ATOM 867 N TYR A 57 -4.106 43.730 -1.752 1.00 70.21 N ATOM 868 CA TYR A 57 -3.932 45.008 -2.467 1.00 60.22 C ATOM 869 C TYR A 57 -2.499 45.567 -2.220 1.00 73.32 C ATOM 870 O TYR A 57 -2.038 45.598 -1.071 1.00 21.14 O ATOM 871 CB TYR A 57 -5.021 46.027 -2.017 1.00 54.24 C ATOM 872 CG TYR A 57 -5.114 46.254 -0.487 1.00 64.12 C ATOM 873 CD1 TYR A 57 -5.897 45.421 0.321 1.00 11.31 C ATOM 874 CD2 TYR A 57 -4.422 47.298 0.147 1.00 12.24 C ATOM 875 CE1 TYR A 57 -5.977 45.618 1.689 1.00 33.12 C ATOM 876 CE2 TYR A 57 -4.501 47.495 1.514 1.00 4.53 C ATOM 877 CZ TYR A 57 -5.282 46.655 2.278 1.00 53.22 C ATOM 878 OH TYR A 57 -5.364 46.844 3.641 1.00 71.30 O ATOM 0 H TYR A 57 -4.043 43.823 -0.738 1.00 70.21 H new ATOM 0 HA TYR A 57 -4.050 44.840 -3.537 1.00 60.22 H new ATOM 0 HB2 TYR A 57 -4.823 46.984 -2.500 1.00 54.24 H new ATOM 0 HB3 TYR A 57 -5.990 45.683 -2.378 1.00 54.24 H new ATOM 0 HD1 TYR A 57 -6.449 44.610 -0.131 1.00 11.31 H new ATOM 0 HD2 TYR A 57 -3.813 47.964 -0.447 1.00 12.24 H new ATOM 0 HE1 TYR A 57 -6.583 44.961 2.295 1.00 33.12 H new ATOM 0 HE2 TYR A 57 -3.954 48.302 1.979 1.00 4.53 H new ATOM 0 HH TYR A 57 -4.816 47.615 3.898 1.00 71.30 H new ATOM 888 N PRO A 58 -1.744 45.950 -3.303 1.00 31.54 N ATOM 889 CA PRO A 58 -0.486 46.752 -3.172 1.00 43.21 C ATOM 890 C PRO A 58 -0.707 48.121 -2.448 1.00 30.30 C ATOM 891 O PRO A 58 -1.830 48.639 -2.470 1.00 34.20 O ATOM 892 CB PRO A 58 -0.058 46.963 -4.653 1.00 43.20 C ATOM 893 CG PRO A 58 -0.658 45.795 -5.380 1.00 3.35 C ATOM 894 CD PRO A 58 -1.993 45.561 -4.718 1.00 21.20 C ATOM 0 HA PRO A 58 0.263 46.248 -2.561 1.00 43.21 H new ATOM 0 HB2 PRO A 58 -0.431 47.910 -5.044 1.00 43.20 H new ATOM 0 HB3 PRO A 58 1.027 46.981 -4.755 1.00 43.20 H new ATOM 0 HG2 PRO A 58 -0.777 46.011 -6.442 1.00 3.35 H new ATOM 0 HG3 PRO A 58 -0.021 44.914 -5.304 1.00 3.35 H new ATOM 0 HD2 PRO A 58 -2.778 46.167 -5.170 1.00 21.20 H new ATOM 0 HD3 PRO A 58 -2.306 44.520 -4.800 1.00 21.20 H new ATOM 902 N PRO A 59 0.342 48.714 -1.771 1.00 31.10 N ATOM 903 CA PRO A 59 0.244 50.064 -1.127 1.00 24.21 C ATOM 904 C PRO A 59 -0.164 51.208 -2.111 1.00 41.11 C ATOM 905 O PRO A 59 0.698 51.873 -2.706 1.00 21.25 O ATOM 906 CB PRO A 59 1.665 50.289 -0.532 1.00 64.11 C ATOM 907 CG PRO A 59 2.222 48.904 -0.367 1.00 5.10 C ATOM 908 CD PRO A 59 1.674 48.097 -1.526 1.00 74.53 C ATOM 0 HA PRO A 59 -0.548 50.091 -0.379 1.00 24.21 H new ATOM 0 HB2 PRO A 59 2.284 50.890 -1.198 1.00 64.11 H new ATOM 0 HB3 PRO A 59 1.618 50.815 0.421 1.00 64.11 H new ATOM 0 HG2 PRO A 59 3.312 48.917 -0.380 1.00 5.10 H new ATOM 0 HG3 PRO A 59 1.920 48.472 0.587 1.00 5.10 H new ATOM 0 HD2 PRO A 59 2.317 48.165 -2.404 1.00 74.53 H new ATOM 0 HD3 PRO A 59 1.588 47.040 -1.275 1.00 74.53 H new ATOM 916 N GLU A 60 -1.498 51.368 -2.289 1.00 24.45 N ATOM 917 CA GLU A 60 -2.148 52.357 -3.185 1.00 60.44 C ATOM 918 C GLU A 60 -1.481 52.443 -4.591 1.00 54.13 C ATOM 919 O GLU A 60 -0.791 53.421 -4.922 1.00 55.03 O ATOM 920 CB GLU A 60 -2.250 53.752 -2.502 1.00 42.31 C ATOM 921 CG GLU A 60 -3.250 54.715 -3.178 1.00 54.42 C ATOM 922 CD GLU A 60 -3.217 56.143 -2.601 1.00 72.21 C ATOM 923 OE1 GLU A 60 -3.882 56.404 -1.579 1.00 31.03 O ATOM 924 OE2 GLU A 60 -2.502 57.005 -3.160 1.00 75.12 O ATOM 0 H GLU A 60 -2.177 50.790 -1.794 1.00 24.45 H new ATOM 0 HA GLU A 60 -3.161 51.996 -3.363 1.00 60.44 H new ATOM 0 HB2 GLU A 60 -2.542 53.614 -1.461 1.00 42.31 H new ATOM 0 HB3 GLU A 60 -1.263 54.215 -2.497 1.00 42.31 H new ATOM 0 HG2 GLU A 60 -3.035 54.758 -4.246 1.00 54.42 H new ATOM 0 HG3 GLU A 60 -4.257 54.312 -3.072 1.00 54.42 H new ATOM 931 N SER A 61 -1.647 51.370 -5.380 1.00 4.34 N ATOM 932 CA SER A 61 -1.058 51.238 -6.741 1.00 24.14 C ATOM 933 C SER A 61 -1.959 50.325 -7.627 1.00 25.23 C ATOM 934 O SER A 61 -1.895 49.081 -7.486 1.00 13.13 O ATOM 935 CB SER A 61 0.390 50.682 -6.668 1.00 63.01 C ATOM 936 OG SER A 61 1.262 51.569 -5.979 1.00 61.53 O ATOM 937 OXT SER A 61 -2.743 50.862 -8.445 1.00 37.01 O ATOM 0 H SER A 61 -2.196 50.558 -5.098 1.00 4.34 H new ATOM 0 HA SER A 61 -1.011 52.228 -7.196 1.00 24.14 H new ATOM 0 HB2 SER A 61 0.383 49.715 -6.165 1.00 63.01 H new ATOM 0 HB3 SER A 61 0.766 50.513 -7.677 1.00 63.01 H new ATOM 0 HG SER A 61 0.758 52.352 -5.674 1.00 61.53 H new TER 943 SER A 61