USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 405 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 7 LYS NZ :NH3+ 162:sc= 0.349 (180deg=0.211) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= -3.56 (180deg=-3.98) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.49 K(o=-2.5,f=-6.6!) USER MOD Single : A 29 SER OG : rot 68:sc= -0.467 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 83:sc= 1.25 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -150:sc= -1.54 (180deg=-3.51) USER MOD Single : A 48 HIS : no HE2:sc= -1.95 K(o=-1.9,f=-6.6!) USER MOD Single : A 50 LYS NZ :NH3+ -147:sc= 0.934 (180deg=0.274) USER MOD Single : A 52 SER OG : rot 90:sc= -1.58 USER MOD Single : A 54 SER OG : rot 180:sc= -0.132 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N VAL A 3 2.888 2.050 -7.025 1.00 72.33 N ATOM 43 CA VAL A 3 3.666 2.600 -8.128 1.00 43.05 C ATOM 44 C VAL A 3 3.073 3.917 -8.616 1.00 62.03 C ATOM 45 O VAL A 3 3.764 4.933 -8.686 1.00 35.11 O ATOM 46 CB VAL A 3 3.741 1.614 -9.310 1.00 15.34 C ATOM 47 CG1 VAL A 3 4.760 2.086 -10.335 1.00 60.54 C ATOM 48 CG2 VAL A 3 4.077 0.215 -8.815 1.00 51.52 C ATOM 0 HA VAL A 3 4.672 2.776 -7.748 1.00 43.05 H new ATOM 0 HB VAL A 3 2.765 1.578 -9.794 1.00 15.34 H new ATOM 0 HG11 VAL A 3 4.799 1.377 -11.162 1.00 60.54 H new ATOM 0 HG12 VAL A 3 4.470 3.067 -10.711 1.00 60.54 H new ATOM 0 HG13 VAL A 3 5.742 2.152 -9.867 1.00 60.54 H new ATOM 0 HG21 VAL A 3 4.126 -0.469 -9.662 1.00 51.52 H new ATOM 0 HG22 VAL A 3 5.040 0.231 -8.305 1.00 51.52 H new ATOM 0 HG23 VAL A 3 3.306 -0.121 -8.122 1.00 51.52 H new ATOM 58 N GLY A 4 1.787 3.892 -8.953 1.00 61.13 N ATOM 59 CA GLY A 4 1.122 5.090 -9.430 1.00 52.23 C ATOM 60 C GLY A 4 -0.350 4.862 -9.714 1.00 2.54 C ATOM 61 O GLY A 4 -0.928 5.508 -10.588 1.00 73.11 O ATOM 0 H GLY A 4 1.194 3.063 -8.904 1.00 61.13 H new ATOM 0 HA2 GLY A 4 1.227 5.881 -8.687 1.00 52.23 H new ATOM 0 HA3 GLY A 4 1.614 5.438 -10.338 1.00 52.23 H new ATOM 65 N PHE A 5 -0.957 3.941 -8.974 1.00 35.21 N ATOM 66 CA PHE A 5 -2.370 3.627 -9.152 1.00 15.32 C ATOM 67 C PHE A 5 -3.233 4.870 -8.952 1.00 3.32 C ATOM 68 O PHE A 5 -4.388 4.913 -9.376 1.00 43.21 O ATOM 69 CB PHE A 5 -2.799 2.533 -8.173 1.00 31.45 C ATOM 70 CG PHE A 5 -2.790 2.975 -6.737 1.00 42.02 C ATOM 71 CD1 PHE A 5 -1.601 3.051 -6.029 1.00 72.05 C ATOM 72 CD2 PHE A 5 -3.970 3.315 -6.096 1.00 31.54 C ATOM 73 CE1 PHE A 5 -1.589 3.458 -4.709 1.00 11.14 C ATOM 74 CE2 PHE A 5 -3.964 3.723 -4.775 1.00 72.32 C ATOM 75 CZ PHE A 5 -2.772 3.793 -4.080 1.00 54.45 C ATOM 0 H PHE A 5 -0.493 3.399 -8.245 1.00 35.21 H new ATOM 0 HA PHE A 5 -2.510 3.268 -10.172 1.00 15.32 H new ATOM 0 HB2 PHE A 5 -3.802 2.196 -8.435 1.00 31.45 H new ATOM 0 HB3 PHE A 5 -2.135 1.676 -8.285 1.00 31.45 H new ATOM 0 HD1 PHE A 5 -0.673 2.789 -6.515 1.00 72.05 H new ATOM 0 HD2 PHE A 5 -4.905 3.261 -6.634 1.00 31.54 H new ATOM 0 HE1 PHE A 5 -0.655 3.514 -4.169 1.00 11.14 H new ATOM 0 HE2 PHE A 5 -4.890 3.987 -4.287 1.00 72.32 H new ATOM 0 HZ PHE A 5 -2.765 4.109 -3.047 1.00 54.45 H new ATOM 85 N PHE A 6 -2.663 5.880 -8.302 1.00 71.10 N ATOM 86 CA PHE A 6 -3.379 7.124 -8.044 1.00 30.34 C ATOM 87 C PHE A 6 -3.838 7.768 -9.348 1.00 42.44 C ATOM 88 O PHE A 6 -4.796 8.541 -9.369 1.00 42.55 O ATOM 89 CB PHE A 6 -2.490 8.096 -7.266 1.00 51.50 C ATOM 90 CG PHE A 6 -2.942 8.322 -5.851 1.00 60.54 C ATOM 91 CD1 PHE A 6 -3.287 7.251 -5.042 1.00 54.20 C ATOM 92 CD2 PHE A 6 -3.021 9.603 -5.331 1.00 2.12 C ATOM 93 CE1 PHE A 6 -3.704 7.456 -3.740 1.00 72.33 C ATOM 94 CE2 PHE A 6 -3.437 9.814 -4.030 1.00 24.34 C ATOM 95 CZ PHE A 6 -3.778 8.738 -3.233 1.00 42.30 C ATOM 0 H PHE A 6 -1.708 5.861 -7.945 1.00 71.10 H new ATOM 0 HA PHE A 6 -4.260 6.890 -7.446 1.00 30.34 H new ATOM 0 HB2 PHE A 6 -1.469 7.714 -7.256 1.00 51.50 H new ATOM 0 HB3 PHE A 6 -2.467 9.052 -7.789 1.00 51.50 H new ATOM 0 HD1 PHE A 6 -3.229 6.246 -5.433 1.00 54.20 H new ATOM 0 HD2 PHE A 6 -2.754 10.447 -5.949 1.00 2.12 H new ATOM 0 HE1 PHE A 6 -3.972 6.614 -3.120 1.00 72.33 H new ATOM 0 HE2 PHE A 6 -3.495 10.818 -3.637 1.00 24.34 H new ATOM 0 HZ PHE A 6 -4.102 8.900 -2.215 1.00 42.30 H new ATOM 105 N LYS A 7 -3.147 7.445 -10.436 1.00 65.00 N ATOM 106 CA LYS A 7 -3.481 7.990 -11.746 1.00 52.42 C ATOM 107 C LYS A 7 -4.861 7.519 -12.195 1.00 44.25 C ATOM 108 O LYS A 7 -5.403 8.012 -13.185 1.00 32.42 O ATOM 109 CB LYS A 7 -2.429 7.577 -12.777 1.00 44.44 C ATOM 110 CG LYS A 7 -2.450 8.422 -14.040 1.00 21.41 C ATOM 111 CD LYS A 7 -1.885 9.810 -13.792 1.00 13.33 C ATOM 112 CE LYS A 7 -0.378 9.771 -13.588 1.00 54.14 C ATOM 113 NZ LYS A 7 0.355 9.721 -14.884 1.00 11.45 N ATOM 0 H LYS A 7 -2.351 6.807 -10.436 1.00 65.00 H new ATOM 0 HA LYS A 7 -3.495 9.077 -11.667 1.00 52.42 H new ATOM 0 HB2 LYS A 7 -1.441 7.643 -12.322 1.00 44.44 H new ATOM 0 HB3 LYS A 7 -2.587 6.533 -13.046 1.00 44.44 H new ATOM 0 HG2 LYS A 7 -1.871 7.927 -14.820 1.00 21.41 H new ATOM 0 HG3 LYS A 7 -3.473 8.505 -14.406 1.00 21.41 H new ATOM 0 HD2 LYS A 7 -2.122 10.457 -14.637 1.00 13.33 H new ATOM 0 HD3 LYS A 7 -2.361 10.246 -12.914 1.00 13.33 H new ATOM 0 HE2 LYS A 7 -0.064 10.651 -13.027 1.00 54.14 H new ATOM 0 HE3 LYS A 7 -0.115 8.900 -12.988 1.00 54.14 H new ATOM 0 HZ1 LYS A 7 1.346 9.999 -14.733 1.00 11.45 H new ATOM 0 HZ2 LYS A 7 0.321 8.754 -15.265 1.00 11.45 H new ATOM 0 HZ3 LYS A 7 -0.089 10.375 -15.559 1.00 11.45 H new ATOM 127 N ARG A 8 -5.423 6.564 -11.462 1.00 2.33 N ATOM 128 CA ARG A 8 -6.739 6.027 -11.785 1.00 51.40 C ATOM 129 C ARG A 8 -7.710 7.148 -12.144 1.00 14.35 C ATOM 130 O ARG A 8 -8.512 7.016 -13.067 1.00 15.22 O ATOM 131 CB ARG A 8 -7.288 5.220 -10.607 1.00 4.20 C ATOM 132 CG ARG A 8 -8.743 4.814 -10.772 1.00 10.31 C ATOM 133 CD ARG A 8 -9.150 3.771 -9.744 1.00 32.53 C ATOM 134 NE ARG A 8 -10.416 4.104 -9.097 1.00 11.45 N ATOM 135 CZ ARG A 8 -11.020 3.317 -8.213 1.00 1.41 C ATOM 136 NH1 ARG A 8 -10.476 2.157 -7.873 1.00 4.32 N ATOM 137 NH2 ARG A 8 -12.170 3.691 -7.667 1.00 73.22 N ATOM 0 H ARG A 8 -4.987 6.146 -10.640 1.00 2.33 H new ATOM 0 HA ARG A 8 -6.634 5.370 -12.648 1.00 51.40 H new ATOM 0 HB2 ARG A 8 -6.682 4.323 -10.478 1.00 4.20 H new ATOM 0 HB3 ARG A 8 -7.185 5.808 -9.695 1.00 4.20 H new ATOM 0 HG2 ARG A 8 -9.381 5.693 -10.673 1.00 10.31 H new ATOM 0 HG3 ARG A 8 -8.900 4.418 -11.775 1.00 10.31 H new ATOM 0 HD2 ARG A 8 -9.236 2.799 -10.229 1.00 32.53 H new ATOM 0 HD3 ARG A 8 -8.369 3.683 -8.989 1.00 32.53 H new ATOM 0 HE ARG A 8 -10.861 4.990 -9.337 1.00 11.45 H new ATOM 0 HH11 ARG A 8 -9.592 1.867 -8.290 1.00 4.32 H new ATOM 0 HH12 ARG A 8 -10.942 1.555 -7.194 1.00 4.32 H new ATOM 0 HH21 ARG A 8 -12.591 4.583 -7.926 1.00 73.22 H new ATOM 0 HH22 ARG A 8 -12.633 3.086 -6.989 1.00 73.22 H new ATOM 151 N ASN A 9 -7.632 8.251 -11.406 1.00 4.12 N ATOM 152 CA ASN A 9 -8.504 9.395 -11.645 1.00 74.31 C ATOM 153 C ASN A 9 -8.302 9.949 -13.052 1.00 62.42 C ATOM 154 O ASN A 9 -9.263 10.305 -13.735 1.00 43.33 O ATOM 155 CB ASN A 9 -8.239 10.490 -10.611 1.00 13.44 C ATOM 156 CG ASN A 9 -9.165 10.391 -9.414 1.00 11.45 C ATOM 157 OD1 ASN A 9 -10.120 11.159 -9.288 1.00 23.41 O ATOM 158 ND2 ASN A 9 -8.886 9.443 -8.527 1.00 2.33 N ATOM 0 H ASN A 9 -6.973 8.376 -10.637 1.00 4.12 H new ATOM 0 HA ASN A 9 -9.536 9.058 -11.551 1.00 74.31 H new ATOM 0 HB2 ASN A 9 -7.205 10.424 -10.273 1.00 13.44 H new ATOM 0 HB3 ASN A 9 -8.360 11.466 -11.081 1.00 13.44 H new ATOM 0 HD21 ASN A 9 -9.473 9.329 -7.701 1.00 2.33 H new ATOM 0 HD22 ASN A 9 -8.084 8.829 -8.672 1.00 2.33 H new ATOM 165 N LEU A 10 -7.046 10.017 -13.480 1.00 1.23 N ATOM 166 CA LEU A 10 -6.716 10.527 -14.806 1.00 70.12 C ATOM 167 C LEU A 10 -7.387 9.692 -15.893 1.00 5.24 C ATOM 168 O LEU A 10 -7.524 10.133 -17.034 1.00 0.22 O ATOM 169 CB LEU A 10 -5.200 10.529 -15.011 1.00 31.40 C ATOM 170 CG LEU A 10 -4.523 11.900 -15.001 1.00 60.51 C ATOM 171 CD1 LEU A 10 -5.092 12.784 -16.099 1.00 55.12 C ATOM 172 CD2 LEU A 10 -4.684 12.564 -13.641 1.00 64.15 C ATOM 0 H LEU A 10 -6.240 9.725 -12.928 1.00 1.23 H new ATOM 0 HA LEU A 10 -7.087 11.549 -14.878 1.00 70.12 H new ATOM 0 HB2 LEU A 10 -4.747 9.917 -14.231 1.00 31.40 H new ATOM 0 HB3 LEU A 10 -4.982 10.045 -15.963 1.00 31.40 H new ATOM 0 HG LEU A 10 -3.459 11.760 -15.191 1.00 60.51 H new ATOM 0 HD11 LEU A 10 -4.598 13.755 -16.076 1.00 55.12 H new ATOM 0 HD12 LEU A 10 -4.924 12.314 -17.068 1.00 55.12 H new ATOM 0 HD13 LEU A 10 -6.162 12.917 -15.941 1.00 55.12 H new ATOM 0 HD21 LEU A 10 -4.196 13.539 -13.652 1.00 64.15 H new ATOM 0 HD22 LEU A 10 -5.744 12.691 -13.421 1.00 64.15 H new ATOM 0 HD23 LEU A 10 -4.227 11.938 -12.874 1.00 64.15 H new ATOM 184 N LYS A 11 -7.804 8.484 -15.530 1.00 15.22 N ATOM 185 CA LYS A 11 -8.464 7.588 -16.471 1.00 74.44 C ATOM 186 C LYS A 11 -9.938 7.950 -16.627 1.00 2.24 C ATOM 187 O LYS A 11 -10.478 7.930 -17.732 1.00 44.42 O ATOM 188 CB LYS A 11 -8.332 6.136 -16.004 1.00 42.41 C ATOM 189 CG LYS A 11 -7.587 5.247 -16.985 1.00 14.11 C ATOM 190 CD LYS A 11 -6.326 5.919 -17.501 1.00 0.35 C ATOM 191 CE LYS A 11 -5.464 6.438 -16.359 1.00 74.14 C ATOM 192 NZ LYS A 11 -4.428 7.395 -16.837 1.00 55.01 N ATOM 0 H LYS A 11 -7.696 8.103 -14.590 1.00 15.22 H new ATOM 0 HA LYS A 11 -7.977 7.698 -17.440 1.00 74.44 H new ATOM 0 HB2 LYS A 11 -7.815 6.117 -15.045 1.00 42.41 H new ATOM 0 HB3 LYS A 11 -9.328 5.725 -15.838 1.00 42.41 H new ATOM 0 HG2 LYS A 11 -7.326 4.307 -16.499 1.00 14.11 H new ATOM 0 HG3 LYS A 11 -8.239 5.003 -17.824 1.00 14.11 H new ATOM 0 HD2 LYS A 11 -5.753 5.210 -18.098 1.00 0.35 H new ATOM 0 HD3 LYS A 11 -6.596 6.745 -18.159 1.00 0.35 H new ATOM 0 HE2 LYS A 11 -6.097 6.928 -15.619 1.00 74.14 H new ATOM 0 HE3 LYS A 11 -4.980 5.599 -15.859 1.00 74.14 H new ATOM 0 HZ1 LYS A 11 -3.940 7.815 -16.020 1.00 55.01 H new ATOM 0 HZ2 LYS A 11 -3.738 6.892 -17.431 1.00 55.01 H new ATOM 0 HZ3 LYS A 11 -4.881 8.147 -17.394 1.00 55.01 H new ATOM 206 N GLU A 12 -10.582 8.282 -15.512 1.00 4.22 N ATOM 207 CA GLU A 12 -11.993 8.650 -15.526 1.00 24.20 C ATOM 208 C GLU A 12 -12.252 9.774 -16.524 1.00 42.53 C ATOM 209 O GLU A 12 -13.298 9.816 -17.173 1.00 5.12 O ATOM 210 CB GLU A 12 -12.445 9.079 -14.129 1.00 4.24 C ATOM 211 CG GLU A 12 -12.352 10.577 -13.892 1.00 44.34 C ATOM 212 CD GLU A 12 -12.521 10.949 -12.432 1.00 41.21 C ATOM 213 OE1 GLU A 12 -13.678 11.009 -11.966 1.00 72.11 O ATOM 214 OE2 GLU A 12 -11.497 11.181 -11.756 1.00 33.23 O ATOM 0 H GLU A 12 -10.149 8.304 -14.589 1.00 4.22 H new ATOM 0 HA GLU A 12 -12.567 7.776 -15.833 1.00 24.20 H new ATOM 0 HB2 GLU A 12 -13.476 8.759 -13.976 1.00 4.24 H new ATOM 0 HB3 GLU A 12 -11.837 8.564 -13.385 1.00 4.24 H new ATOM 0 HG2 GLU A 12 -11.386 10.937 -14.245 1.00 44.34 H new ATOM 0 HG3 GLU A 12 -13.116 11.082 -14.482 1.00 44.34 H new ATOM 221 N LYS A 13 -11.292 10.686 -16.642 1.00 71.10 N ATOM 222 CA LYS A 13 -11.414 11.811 -17.561 1.00 2.52 C ATOM 223 C LYS A 13 -10.881 11.446 -18.943 1.00 10.05 C ATOM 224 O LYS A 13 -11.482 11.791 -19.961 1.00 30.54 O ATOM 225 CB LYS A 13 -10.658 13.025 -17.016 1.00 1.33 C ATOM 226 CG LYS A 13 -9.169 12.785 -16.839 1.00 45.30 C ATOM 227 CD LYS A 13 -8.618 13.552 -15.648 1.00 65.04 C ATOM 228 CE LYS A 13 -8.814 15.051 -15.812 1.00 4.41 C ATOM 229 NZ LYS A 13 -7.964 15.828 -14.867 1.00 40.11 N ATOM 0 H LYS A 13 -10.421 10.667 -16.112 1.00 71.10 H new ATOM 0 HA LYS A 13 -12.471 12.059 -17.653 1.00 2.52 H new ATOM 0 HB2 LYS A 13 -10.804 13.867 -17.693 1.00 1.33 H new ATOM 0 HB3 LYS A 13 -11.088 13.309 -16.056 1.00 1.33 H new ATOM 0 HG2 LYS A 13 -8.985 11.719 -16.703 1.00 45.30 H new ATOM 0 HG3 LYS A 13 -8.641 13.087 -17.743 1.00 45.30 H new ATOM 0 HD2 LYS A 13 -9.114 13.217 -14.737 1.00 65.04 H new ATOM 0 HD3 LYS A 13 -7.556 13.333 -15.532 1.00 65.04 H new ATOM 0 HE2 LYS A 13 -8.575 15.339 -16.836 1.00 4.41 H new ATOM 0 HE3 LYS A 13 -9.862 15.300 -15.647 1.00 4.41 H new ATOM 0 HZ1 LYS A 13 -8.126 16.845 -15.010 1.00 40.11 H new ATOM 0 HZ2 LYS A 13 -8.209 15.572 -13.889 1.00 40.11 H new ATOM 0 HZ3 LYS A 13 -6.962 15.610 -15.041 1.00 40.11 H new ATOM 243 N ILE A 14 -9.752 10.746 -18.970 1.00 41.22 N ATOM 244 CA ILE A 14 -9.141 10.332 -20.227 1.00 42.31 C ATOM 245 C ILE A 14 -10.070 9.414 -21.014 1.00 23.22 C ATOM 246 O ILE A 14 -10.229 9.566 -22.224 1.00 55.22 O ATOM 247 CB ILE A 14 -7.802 9.609 -19.991 1.00 3.32 C ATOM 248 CG1 ILE A 14 -6.636 10.591 -20.126 1.00 51.33 C ATOM 249 CG2 ILE A 14 -7.644 8.454 -20.968 1.00 31.32 C ATOM 250 CD1 ILE A 14 -6.758 11.801 -19.227 1.00 40.50 C ATOM 0 H ILE A 14 -9.242 10.454 -18.136 1.00 41.22 H new ATOM 0 HA ILE A 14 -8.958 11.239 -20.803 1.00 42.31 H new ATOM 0 HB ILE A 14 -7.798 9.206 -18.978 1.00 3.32 H new ATOM 0 HG12 ILE A 14 -5.706 10.071 -19.898 1.00 51.33 H new ATOM 0 HG13 ILE A 14 -6.570 10.923 -21.162 1.00 51.33 H new ATOM 0 HG21 ILE A 14 -6.693 7.953 -20.788 1.00 31.32 H new ATOM 0 HG22 ILE A 14 -8.460 7.745 -20.828 1.00 31.32 H new ATOM 0 HG23 ILE A 14 -7.666 8.835 -21.989 1.00 31.32 H new ATOM 0 HD11 ILE A 14 -5.897 12.453 -19.376 1.00 40.50 H new ATOM 0 HD12 ILE A 14 -7.671 12.344 -19.470 1.00 40.50 H new ATOM 0 HD13 ILE A 14 -6.794 11.479 -18.186 1.00 40.50 H new ATOM 262 N GLU A 15 -10.681 8.461 -20.316 1.00 51.34 N ATOM 263 CA GLU A 15 -11.595 7.519 -20.950 1.00 74.25 C ATOM 264 C GLU A 15 -12.746 8.253 -21.633 1.00 71.42 C ATOM 265 O GLU A 15 -13.469 7.676 -22.445 1.00 41.13 O ATOM 266 CB GLU A 15 -12.146 6.534 -19.917 1.00 2.13 C ATOM 267 CG GLU A 15 -13.205 7.135 -19.008 1.00 32.51 C ATOM 268 CD GLU A 15 -14.611 6.937 -19.541 1.00 10.22 C ATOM 269 OE1 GLU A 15 -14.899 5.839 -20.061 1.00 20.45 O ATOM 270 OE2 GLU A 15 -15.423 7.880 -19.439 1.00 3.44 O ATOM 0 H GLU A 15 -10.559 8.322 -19.313 1.00 51.34 H new ATOM 0 HA GLU A 15 -11.038 6.967 -21.707 1.00 74.25 H new ATOM 0 HB2 GLU A 15 -12.570 5.675 -20.437 1.00 2.13 H new ATOM 0 HB3 GLU A 15 -11.323 6.163 -19.306 1.00 2.13 H new ATOM 0 HG2 GLU A 15 -13.128 6.684 -18.019 1.00 32.51 H new ATOM 0 HG3 GLU A 15 -13.013 8.201 -18.888 1.00 32.51 H new ATOM 277 N ALA A 16 -12.909 9.528 -21.297 1.00 35.24 N ATOM 278 CA ALA A 16 -13.970 10.341 -21.877 1.00 55.34 C ATOM 279 C ALA A 16 -13.412 11.322 -22.903 1.00 24.22 C ATOM 280 O ALA A 16 -13.937 11.445 -24.008 1.00 43.35 O ATOM 281 CB ALA A 16 -14.721 11.088 -20.785 1.00 11.03 C ATOM 0 H ALA A 16 -12.319 10.020 -20.626 1.00 35.24 H new ATOM 0 HA ALA A 16 -14.664 9.675 -22.389 1.00 55.34 H new ATOM 0 HB1 ALA A 16 -15.510 11.691 -21.234 1.00 11.03 H new ATOM 0 HB2 ALA A 16 -15.161 10.372 -20.091 1.00 11.03 H new ATOM 0 HB3 ALA A 16 -14.030 11.737 -20.247 1.00 11.03 H new ATOM 287 N GLY A 17 -12.343 12.018 -22.528 1.00 2.32 N ATOM 288 CA GLY A 17 -11.731 12.980 -23.426 1.00 72.24 C ATOM 289 C GLY A 17 -10.850 13.976 -22.698 1.00 35.50 C ATOM 290 O GLY A 17 -11.343 14.950 -22.129 1.00 21.32 O ATOM 0 H GLY A 17 -11.890 11.933 -21.618 1.00 2.32 H new ATOM 0 HA2 GLY A 17 -11.136 12.450 -24.170 1.00 72.24 H new ATOM 0 HA3 GLY A 17 -12.512 13.517 -23.965 1.00 72.24 H new ATOM 294 N ARG A 18 -9.544 13.730 -22.714 1.00 14.31 N ATOM 295 CA ARG A 18 -8.593 14.612 -22.047 1.00 74.42 C ATOM 296 C ARG A 18 -7.216 14.515 -22.696 1.00 25.34 C ATOM 297 O ARG A 18 -6.904 15.253 -23.629 1.00 1.32 O ATOM 298 CB ARG A 18 -8.495 14.261 -20.561 1.00 75.34 C ATOM 299 CG ARG A 18 -9.448 15.056 -19.684 1.00 31.02 C ATOM 300 CD ARG A 18 -9.167 16.548 -19.765 1.00 44.15 C ATOM 301 NE ARG A 18 -10.280 17.284 -20.358 1.00 75.41 N ATOM 302 CZ ARG A 18 -10.222 18.571 -20.681 1.00 72.22 C ATOM 303 NH1 ARG A 18 -9.110 19.261 -20.470 1.00 61.15 N ATOM 304 NH2 ARG A 18 -11.278 19.170 -21.217 1.00 1.11 N ATOM 0 H ARG A 18 -9.120 12.928 -23.181 1.00 14.31 H new ATOM 0 HA ARG A 18 -8.952 15.636 -22.148 1.00 74.42 H new ATOM 0 HB2 ARG A 18 -8.698 13.198 -20.433 1.00 75.34 H new ATOM 0 HB3 ARG A 18 -7.473 14.433 -20.222 1.00 75.34 H new ATOM 0 HG2 ARG A 18 -10.475 14.861 -19.992 1.00 31.02 H new ATOM 0 HG3 ARG A 18 -9.356 14.723 -18.650 1.00 31.02 H new ATOM 0 HD2 ARG A 18 -8.969 16.934 -18.765 1.00 44.15 H new ATOM 0 HD3 ARG A 18 -8.266 16.716 -20.356 1.00 44.15 H new ATOM 0 HE ARG A 18 -11.150 16.782 -20.534 1.00 75.41 H new ATOM 0 HH11 ARG A 18 -8.296 18.804 -20.059 1.00 61.15 H new ATOM 0 HH12 ARG A 18 -9.068 20.249 -20.719 1.00 61.15 H new ATOM 0 HH21 ARG A 18 -12.135 18.642 -21.381 1.00 1.11 H new ATOM 0 HH22 ARG A 18 -11.233 20.158 -21.465 1.00 1.11 H new ATOM 318 N GLY A 19 -6.394 13.598 -22.193 1.00 63.02 N ATOM 319 CA GLY A 19 -5.059 13.422 -22.735 1.00 21.31 C ATOM 320 C GLY A 19 -4.204 14.665 -22.587 1.00 33.23 C ATOM 321 O GLY A 19 -4.674 15.780 -22.811 1.00 40.51 O ATOM 0 H GLY A 19 -6.629 12.975 -21.421 1.00 63.02 H new ATOM 0 HA2 GLY A 19 -4.572 12.588 -22.230 1.00 21.31 H new ATOM 0 HA3 GLY A 19 -5.131 13.158 -23.790 1.00 21.31 H new ATOM 325 N VAL A 20 -2.945 14.474 -22.206 1.00 31.50 N ATOM 326 CA VAL A 20 -2.023 15.588 -22.027 1.00 43.42 C ATOM 327 C VAL A 20 -1.595 16.168 -23.371 1.00 3.44 C ATOM 328 O VAL A 20 -1.859 17.329 -23.687 1.00 30.44 O ATOM 329 CB VAL A 20 -0.769 15.159 -21.243 1.00 3.12 C ATOM 330 CG1 VAL A 20 0.425 16.017 -21.634 1.00 24.45 C ATOM 331 CG2 VAL A 20 -1.025 15.238 -19.745 1.00 64.43 C ATOM 0 H VAL A 20 -2.540 13.557 -22.015 1.00 31.50 H new ATOM 0 HA VAL A 20 -2.555 16.350 -21.458 1.00 43.42 H new ATOM 0 HB VAL A 20 -0.540 14.124 -21.496 1.00 3.12 H new ATOM 0 HG11 VAL A 20 1.302 15.699 -21.070 1.00 24.45 H new ATOM 0 HG12 VAL A 20 0.620 15.905 -22.701 1.00 24.45 H new ATOM 0 HG13 VAL A 20 0.210 17.062 -21.412 1.00 24.45 H new ATOM 0 HG21 VAL A 20 -0.129 14.931 -19.206 1.00 64.43 H new ATOM 0 HG22 VAL A 20 -1.279 16.262 -19.473 1.00 64.43 H new ATOM 0 HG23 VAL A 20 -1.851 14.577 -19.482 1.00 64.43 H new ATOM 341 N PRO A 21 -0.917 15.343 -24.182 1.00 54.15 N ATOM 342 CA PRO A 21 -0.439 15.752 -25.506 1.00 62.34 C ATOM 343 C PRO A 21 -1.579 15.951 -26.499 1.00 32.10 C ATOM 344 O PRO A 21 -1.654 16.976 -27.176 1.00 24.35 O ATOM 345 CB PRO A 21 0.449 14.582 -25.939 1.00 53.14 C ATOM 346 CG PRO A 21 -0.077 13.409 -25.186 1.00 63.04 C ATOM 347 CD PRO A 21 -0.567 13.947 -23.871 1.00 11.22 C ATOM 0 HA PRO A 21 0.080 16.710 -25.474 1.00 62.34 H new ATOM 0 HB2 PRO A 21 0.393 14.419 -27.015 1.00 53.14 H new ATOM 0 HB3 PRO A 21 1.496 14.769 -25.699 1.00 53.14 H new ATOM 0 HG2 PRO A 21 -0.884 12.924 -25.734 1.00 63.04 H new ATOM 0 HG3 PRO A 21 0.701 12.661 -25.036 1.00 63.04 H new ATOM 0 HD2 PRO A 21 -1.429 13.389 -23.505 1.00 11.22 H new ATOM 0 HD3 PRO A 21 0.202 13.888 -23.101 1.00 11.22 H new ATOM 355 N ASN A 22 -2.466 14.964 -26.580 1.00 51.41 N ATOM 356 CA ASN A 22 -3.603 15.032 -27.491 1.00 33.14 C ATOM 357 C ASN A 22 -3.328 16.004 -28.634 1.00 63.41 C ATOM 358 O ASN A 22 -3.668 17.183 -28.556 1.00 10.30 O ATOM 359 CB ASN A 22 -4.863 15.460 -26.735 1.00 73.14 C ATOM 360 CG ASN A 22 -4.687 16.787 -26.022 1.00 74.35 C ATOM 361 OD1 ASN A 22 -3.949 16.884 -25.042 1.00 43.45 O ATOM 362 ND2 ASN A 22 -5.368 17.816 -26.513 1.00 3.42 N ATOM 0 H ASN A 22 -2.419 14.109 -26.026 1.00 51.41 H new ATOM 0 HA ASN A 22 -3.759 14.039 -27.912 1.00 33.14 H new ATOM 0 HB2 ASN A 22 -5.696 15.534 -27.435 1.00 73.14 H new ATOM 0 HB3 ASN A 22 -5.125 14.692 -26.008 1.00 73.14 H new ATOM 0 HD21 ASN A 22 -5.291 18.734 -26.075 1.00 3.42 H new ATOM 0 HD22 ASN A 22 -5.968 17.688 -27.328 1.00 3.42 H new ATOM 369 N GLY A 23 -2.709 15.498 -29.697 1.00 3.31 N ATOM 370 CA GLY A 23 -2.398 16.334 -30.842 1.00 11.54 C ATOM 371 C GLY A 23 -2.283 15.539 -32.127 1.00 34.23 C ATOM 372 O GLY A 23 -2.801 15.948 -33.166 1.00 51.32 O ATOM 0 H GLY A 23 -2.418 14.525 -29.785 1.00 3.31 H new ATOM 0 HA2 GLY A 23 -3.173 17.092 -30.956 1.00 11.54 H new ATOM 0 HA3 GLY A 23 -1.461 16.861 -30.659 1.00 11.54 H new ATOM 376 N ILE A 24 -1.603 14.400 -32.057 1.00 24.12 N ATOM 377 CA ILE A 24 -1.421 13.546 -33.224 1.00 74.11 C ATOM 378 C ILE A 24 -1.005 12.137 -32.815 1.00 51.11 C ATOM 379 O ILE A 24 -1.700 11.156 -33.080 1.00 15.13 O ATOM 380 CB ILE A 24 -0.365 14.123 -34.185 1.00 71.41 C ATOM 381 CG1 ILE A 24 0.211 15.424 -33.623 1.00 25.43 C ATOM 382 CG2 ILE A 24 -0.972 14.357 -35.560 1.00 61.34 C ATOM 383 CD1 ILE A 24 1.646 15.675 -34.031 1.00 41.02 C ATOM 0 H ILE A 24 -1.169 14.047 -31.204 1.00 24.12 H new ATOM 0 HA ILE A 24 -2.382 13.504 -33.737 1.00 74.11 H new ATOM 0 HB ILE A 24 0.446 13.402 -34.285 1.00 71.41 H new ATOM 0 HG12 ILE A 24 -0.405 16.259 -33.957 1.00 25.43 H new ATOM 0 HG13 ILE A 24 0.150 15.399 -32.535 1.00 25.43 H new ATOM 0 HG21 ILE A 24 -0.213 14.765 -36.228 1.00 61.34 H new ATOM 0 HG22 ILE A 24 -1.339 13.412 -35.961 1.00 61.34 H new ATOM 0 HG23 ILE A 24 -1.799 15.062 -35.477 1.00 61.34 H new ATOM 0 HD11 ILE A 24 1.989 16.614 -33.597 1.00 41.02 H new ATOM 0 HD12 ILE A 24 2.274 14.859 -33.673 1.00 41.02 H new ATOM 0 HD13 ILE A 24 1.711 15.733 -35.118 1.00 41.02 H new ATOM 395 N PRO A 25 0.156 12.032 -32.152 1.00 43.24 N ATOM 396 CA PRO A 25 0.691 10.748 -31.690 1.00 73.21 C ATOM 397 C PRO A 25 -0.128 10.157 -30.547 1.00 43.11 C ATOM 398 O PRO A 25 0.140 9.047 -30.089 1.00 21.13 O ATOM 399 CB PRO A 25 2.101 11.102 -31.211 1.00 14.11 C ATOM 400 CG PRO A 25 2.027 12.546 -30.852 1.00 11.04 C ATOM 401 CD PRO A 25 1.037 13.159 -31.803 1.00 11.43 C ATOM 0 HA PRO A 25 0.671 9.992 -32.475 1.00 73.21 H new ATOM 0 HB2 PRO A 25 2.392 10.495 -30.354 1.00 14.11 H new ATOM 0 HB3 PRO A 25 2.841 10.925 -31.992 1.00 14.11 H new ATOM 0 HG2 PRO A 25 1.706 12.675 -29.818 1.00 11.04 H new ATOM 0 HG3 PRO A 25 3.003 13.022 -30.945 1.00 11.04 H new ATOM 0 HD2 PRO A 25 0.482 13.973 -31.336 1.00 11.43 H new ATOM 0 HD3 PRO A 25 1.529 13.572 -32.684 1.00 11.43 H new ATOM 409 N ALA A 26 -1.126 10.906 -30.092 1.00 15.23 N ATOM 410 CA ALA A 26 -1.985 10.455 -29.004 1.00 14.01 C ATOM 411 C ALA A 26 -2.656 9.129 -29.348 1.00 12.53 C ATOM 412 O ALA A 26 -2.708 8.218 -28.523 1.00 22.11 O ATOM 413 CB ALA A 26 -3.033 11.512 -28.685 1.00 64.23 C ATOM 0 H ALA A 26 -1.360 11.828 -30.460 1.00 15.23 H new ATOM 0 HA ALA A 26 -1.362 10.300 -28.123 1.00 14.01 H new ATOM 0 HB1 ALA A 26 -3.667 11.161 -27.871 1.00 64.23 H new ATOM 0 HB2 ALA A 26 -2.538 12.437 -28.387 1.00 64.23 H new ATOM 0 HB3 ALA A 26 -3.645 11.696 -29.568 1.00 64.23 H new ATOM 419 N GLU A 27 -3.169 9.031 -30.570 1.00 71.42 N ATOM 420 CA GLU A 27 -3.838 7.816 -31.021 1.00 71.12 C ATOM 421 C GLU A 27 -2.903 6.614 -30.930 1.00 22.31 C ATOM 422 O GLU A 27 -3.310 5.526 -30.520 1.00 52.54 O ATOM 423 CB GLU A 27 -4.332 7.983 -32.460 1.00 14.45 C ATOM 424 CG GLU A 27 -3.414 8.831 -33.324 1.00 31.11 C ATOM 425 CD GLU A 27 -3.463 8.438 -34.788 1.00 35.44 C ATOM 426 OE1 GLU A 27 -3.341 7.230 -35.083 1.00 11.54 O ATOM 427 OE2 GLU A 27 -3.625 9.338 -35.638 1.00 21.10 O ATOM 0 H GLU A 27 -3.134 9.777 -31.265 1.00 71.42 H new ATOM 0 HA GLU A 27 -4.693 7.640 -30.369 1.00 71.12 H new ATOM 0 HB2 GLU A 27 -4.438 6.998 -32.915 1.00 14.45 H new ATOM 0 HB3 GLU A 27 -5.323 8.436 -32.445 1.00 14.45 H new ATOM 0 HG2 GLU A 27 -3.693 9.880 -33.224 1.00 31.11 H new ATOM 0 HG3 GLU A 27 -2.391 8.738 -32.961 1.00 31.11 H new ATOM 434 N ASP A 28 -1.648 6.818 -31.315 1.00 21.52 N ATOM 435 CA ASP A 28 -0.654 5.751 -31.276 1.00 44.45 C ATOM 436 C ASP A 28 -0.366 5.328 -29.839 1.00 42.14 C ATOM 437 O ASP A 28 0.043 4.195 -29.586 1.00 10.25 O ATOM 438 CB ASP A 28 0.639 6.206 -31.956 1.00 21.11 C ATOM 439 CG ASP A 28 0.380 7.053 -33.186 1.00 73.13 C ATOM 440 OD1 ASP A 28 -0.635 6.808 -33.871 1.00 60.14 O ATOM 441 OD2 ASP A 28 1.192 7.960 -33.464 1.00 52.25 O ATOM 0 H ASP A 28 -1.295 7.712 -31.657 1.00 21.52 H new ATOM 0 HA ASP A 28 -1.057 4.893 -31.814 1.00 44.45 H new ATOM 0 HB2 ASP A 28 1.238 6.776 -31.246 1.00 21.11 H new ATOM 0 HB3 ASP A 28 1.225 5.331 -32.238 1.00 21.11 H new ATOM 446 N SER A 29 -0.581 6.247 -28.903 1.00 32.51 N ATOM 447 CA SER A 29 -0.340 5.970 -27.492 1.00 14.24 C ATOM 448 C SER A 29 -1.491 5.168 -26.891 1.00 0.30 C ATOM 449 O SER A 29 -1.273 4.222 -26.135 1.00 13.20 O ATOM 450 CB SER A 29 -0.157 7.277 -26.718 1.00 44.43 C ATOM 451 OG SER A 29 0.408 8.282 -27.542 1.00 44.34 O ATOM 0 H SER A 29 -0.921 7.189 -29.096 1.00 32.51 H new ATOM 0 HA SER A 29 0.572 5.378 -27.414 1.00 14.24 H new ATOM 0 HB2 SER A 29 -1.120 7.615 -26.335 1.00 44.43 H new ATOM 0 HB3 SER A 29 0.486 7.105 -25.855 1.00 44.43 H new ATOM 0 HG SER A 29 -0.238 8.540 -28.233 1.00 44.34 H new ATOM 457 N GLU A 30 -2.716 5.555 -27.234 1.00 22.21 N ATOM 458 CA GLU A 30 -3.901 4.873 -26.728 1.00 31.40 C ATOM 459 C GLU A 30 -3.920 3.413 -27.172 1.00 70.15 C ATOM 460 O GLU A 30 -4.474 2.553 -26.488 1.00 63.12 O ATOM 461 CB GLU A 30 -5.169 5.580 -27.210 1.00 50.52 C ATOM 462 CG GLU A 30 -5.773 4.963 -28.460 1.00 71.30 C ATOM 463 CD GLU A 30 -7.122 5.560 -28.813 1.00 23.24 C ATOM 464 OE1 GLU A 30 -7.611 6.416 -28.046 1.00 63.24 O ATOM 465 OE2 GLU A 30 -7.688 5.170 -29.856 1.00 3.43 O ATOM 0 H GLU A 30 -2.913 6.336 -27.859 1.00 22.21 H new ATOM 0 HA GLU A 30 -3.868 4.903 -25.639 1.00 31.40 H new ATOM 0 HB2 GLU A 30 -5.911 5.562 -26.411 1.00 50.52 H new ATOM 0 HB3 GLU A 30 -4.938 6.627 -27.407 1.00 50.52 H new ATOM 0 HG2 GLU A 30 -5.088 5.102 -29.297 1.00 71.30 H new ATOM 0 HG3 GLU A 30 -5.883 3.888 -28.313 1.00 71.30 H new ATOM 472 N GLN A 31 -3.312 3.143 -28.323 1.00 23.11 N ATOM 473 CA GLN A 31 -3.260 1.788 -28.859 1.00 41.15 C ATOM 474 C GLN A 31 -2.693 0.816 -27.830 1.00 45.31 C ATOM 475 O GLN A 31 -3.185 -0.303 -27.679 1.00 53.53 O ATOM 476 CB GLN A 31 -2.413 1.753 -30.133 1.00 5.24 C ATOM 477 CG GLN A 31 -1.892 0.368 -30.479 1.00 74.44 C ATOM 478 CD GLN A 31 -1.854 0.116 -31.974 1.00 31.32 C ATOM 479 OE1 GLN A 31 -0.813 0.265 -32.614 1.00 23.33 O ATOM 480 NE2 GLN A 31 -2.993 -0.269 -32.539 1.00 4.40 N ATOM 0 H GLN A 31 -2.849 3.844 -28.902 1.00 23.11 H new ATOM 0 HA GLN A 31 -4.278 1.480 -29.099 1.00 41.15 H new ATOM 0 HB2 GLN A 31 -3.009 2.126 -30.966 1.00 5.24 H new ATOM 0 HB3 GLN A 31 -1.568 2.431 -30.016 1.00 5.24 H new ATOM 0 HG2 GLN A 31 -0.889 0.248 -30.068 1.00 74.44 H new ATOM 0 HG3 GLN A 31 -2.523 -0.383 -30.004 1.00 74.44 H new ATOM 0 HE21 GLN A 31 -3.832 -0.380 -31.970 1.00 4.40 H new ATOM 0 HE22 GLN A 31 -3.028 -0.454 -33.542 1.00 4.40 H new ATOM 489 N LEU A 32 -1.654 1.250 -27.124 1.00 70.22 N ATOM 490 CA LEU A 32 -1.019 0.418 -26.108 1.00 64.33 C ATOM 491 C LEU A 32 -1.710 0.583 -24.759 1.00 31.42 C ATOM 492 O LEU A 32 -1.807 -0.365 -23.980 1.00 24.12 O ATOM 493 CB LEU A 32 0.463 0.775 -25.982 1.00 3.31 C ATOM 494 CG LEU A 32 1.345 0.417 -27.179 1.00 33.11 C ATOM 495 CD1 LEU A 32 1.656 1.657 -28.003 1.00 23.24 C ATOM 496 CD2 LEU A 32 2.629 -0.253 -26.714 1.00 23.23 C ATOM 0 H LEU A 32 -1.234 2.173 -27.237 1.00 70.22 H new ATOM 0 HA LEU A 32 -1.111 -0.623 -26.417 1.00 64.33 H new ATOM 0 HB2 LEU A 32 0.544 1.847 -25.805 1.00 3.31 H new ATOM 0 HB3 LEU A 32 0.863 0.275 -25.100 1.00 3.31 H new ATOM 0 HG LEU A 32 0.800 -0.286 -27.810 1.00 33.11 H new ATOM 0 HD11 LEU A 32 2.284 1.383 -28.850 1.00 23.24 H new ATOM 0 HD12 LEU A 32 0.726 2.094 -28.367 1.00 23.24 H new ATOM 0 HD13 LEU A 32 2.180 2.384 -27.383 1.00 23.24 H new ATOM 0 HD21 LEU A 32 3.244 -0.501 -27.579 1.00 23.23 H new ATOM 0 HD22 LEU A 32 3.178 0.426 -26.061 1.00 23.23 H new ATOM 0 HD23 LEU A 32 2.387 -1.165 -26.168 1.00 23.23 H new ATOM 508 N ALA A 33 -2.192 1.792 -24.490 1.00 64.13 N ATOM 509 CA ALA A 33 -2.878 2.080 -23.237 1.00 71.11 C ATOM 510 C ALA A 33 -4.127 1.218 -23.085 1.00 11.41 C ATOM 511 O ALA A 33 -4.387 0.669 -22.015 1.00 30.25 O ATOM 512 CB ALA A 33 -3.240 3.556 -23.161 1.00 31.33 C ATOM 0 H ALA A 33 -2.120 2.588 -25.124 1.00 64.13 H new ATOM 0 HA ALA A 33 -2.201 1.841 -22.417 1.00 71.11 H new ATOM 0 HB1 ALA A 33 -3.752 3.757 -22.220 1.00 31.33 H new ATOM 0 HB2 ALA A 33 -2.332 4.157 -23.216 1.00 31.33 H new ATOM 0 HB3 ALA A 33 -3.896 3.813 -23.993 1.00 31.33 H new ATOM 518 N SER A 34 -4.897 1.105 -24.162 1.00 55.42 N ATOM 519 CA SER A 34 -6.122 0.314 -24.147 1.00 12.24 C ATOM 520 C SER A 34 -5.820 -1.149 -23.837 1.00 42.14 C ATOM 521 O SER A 34 -6.514 -1.784 -23.045 1.00 11.12 O ATOM 522 CB SER A 34 -6.843 0.425 -25.492 1.00 21.54 C ATOM 523 OG SER A 34 -6.959 1.777 -25.899 1.00 23.14 O ATOM 0 H SER A 34 -4.694 1.551 -25.057 1.00 55.42 H new ATOM 0 HA SER A 34 -6.770 0.707 -23.363 1.00 12.24 H new ATOM 0 HB2 SER A 34 -6.298 -0.140 -26.248 1.00 21.54 H new ATOM 0 HB3 SER A 34 -7.835 -0.021 -25.414 1.00 21.54 H new ATOM 0 HG SER A 34 -6.129 2.059 -26.337 1.00 23.14 H new ATOM 529 N GLY A 35 -4.777 -1.678 -24.470 1.00 41.13 N ATOM 530 CA GLY A 35 -4.400 -3.062 -24.251 1.00 2.14 C ATOM 531 C GLY A 35 -3.762 -3.281 -22.893 1.00 41.41 C ATOM 532 O GLY A 35 -3.810 -4.383 -22.349 1.00 22.32 O ATOM 0 H GLY A 35 -4.187 -1.173 -25.131 1.00 41.13 H new ATOM 0 HA2 GLY A 35 -5.283 -3.694 -24.340 1.00 2.14 H new ATOM 0 HA3 GLY A 35 -3.705 -3.374 -25.030 1.00 2.14 H new ATOM 536 N GLN A 36 -3.162 -2.228 -22.347 1.00 22.15 N ATOM 537 CA GLN A 36 -2.509 -2.312 -21.045 1.00 55.11 C ATOM 538 C GLN A 36 -3.536 -2.264 -19.918 1.00 4.12 C ATOM 539 O GLN A 36 -3.273 -2.725 -18.808 1.00 1.04 O ATOM 540 CB GLN A 36 -1.502 -1.173 -20.882 1.00 45.11 C ATOM 541 CG GLN A 36 -0.214 -1.383 -21.663 1.00 74.02 C ATOM 542 CD GLN A 36 0.973 -1.671 -20.765 1.00 74.43 C ATOM 543 OE1 GLN A 36 1.317 -0.870 -19.896 1.00 30.52 O ATOM 544 NE2 GLN A 36 1.606 -2.820 -20.971 1.00 73.34 N ATOM 0 H GLN A 36 -3.114 -1.308 -22.785 1.00 22.15 H new ATOM 0 HA GLN A 36 -1.981 -3.264 -20.991 1.00 55.11 H new ATOM 0 HB2 GLN A 36 -1.965 -0.241 -21.205 1.00 45.11 H new ATOM 0 HB3 GLN A 36 -1.262 -1.060 -19.825 1.00 45.11 H new ATOM 0 HG2 GLN A 36 -0.347 -2.211 -22.360 1.00 74.02 H new ATOM 0 HG3 GLN A 36 -0.006 -0.495 -22.259 1.00 74.02 H new ATOM 0 HE21 GLN A 36 1.286 -3.454 -21.703 1.00 73.34 H new ATOM 0 HE22 GLN A 36 2.412 -3.068 -20.397 1.00 73.34 H new ATOM 553 N GLU A 37 -4.704 -1.703 -20.211 1.00 54.34 N ATOM 554 CA GLU A 37 -5.769 -1.594 -19.221 1.00 10.00 C ATOM 555 C GLU A 37 -6.255 -2.975 -18.791 1.00 32.00 C ATOM 556 O GLU A 37 -6.897 -3.123 -17.751 1.00 45.02 O ATOM 557 CB GLU A 37 -6.938 -0.782 -19.783 1.00 3.10 C ATOM 558 CG GLU A 37 -7.574 0.153 -18.767 1.00 63.55 C ATOM 559 CD GLU A 37 -9.013 -0.213 -18.460 1.00 2.24 C ATOM 560 OE1 GLU A 37 -9.832 -0.246 -19.402 1.00 3.34 O ATOM 561 OE2 GLU A 37 -9.320 -0.466 -17.276 1.00 24.22 O ATOM 0 H GLU A 37 -4.937 -1.317 -21.126 1.00 54.34 H new ATOM 0 HA GLU A 37 -5.367 -1.081 -18.348 1.00 10.00 H new ATOM 0 HB2 GLU A 37 -6.587 -0.197 -20.633 1.00 3.10 H new ATOM 0 HB3 GLU A 37 -7.698 -1.467 -20.159 1.00 3.10 H new ATOM 0 HG2 GLU A 37 -6.993 0.132 -17.845 1.00 63.55 H new ATOM 0 HG3 GLU A 37 -7.535 1.175 -19.145 1.00 63.55 H new ATOM 568 N ALA A 38 -5.945 -3.983 -19.600 1.00 34.24 N ATOM 569 CA ALA A 38 -6.349 -5.352 -19.303 1.00 62.11 C ATOM 570 C ALA A 38 -5.855 -5.784 -17.927 1.00 24.22 C ATOM 571 O ALA A 38 -6.338 -6.764 -17.362 1.00 74.22 O ATOM 572 CB ALA A 38 -5.829 -6.299 -20.374 1.00 63.32 C ATOM 0 H ALA A 38 -5.416 -3.877 -20.466 1.00 34.24 H new ATOM 0 HA ALA A 38 -7.438 -5.390 -19.297 1.00 62.11 H new ATOM 0 HB1 ALA A 38 -6.138 -7.318 -20.140 1.00 63.32 H new ATOM 0 HB2 ALA A 38 -6.235 -6.010 -21.343 1.00 63.32 H new ATOM 0 HB3 ALA A 38 -4.741 -6.248 -20.407 1.00 63.32 H new ATOM 578 N GLY A 39 -4.887 -5.046 -17.392 1.00 25.02 N ATOM 579 CA GLY A 39 -4.342 -5.370 -16.086 1.00 54.30 C ATOM 580 C GLY A 39 -5.422 -5.690 -15.071 1.00 42.02 C ATOM 581 O GLY A 39 -6.078 -4.789 -14.547 1.00 65.32 O ATOM 0 H GLY A 39 -4.470 -4.230 -17.840 1.00 25.02 H new ATOM 0 HA2 GLY A 39 -3.669 -6.223 -16.178 1.00 54.30 H new ATOM 0 HA3 GLY A 39 -3.746 -4.531 -15.726 1.00 54.30 H new ATOM 585 N ASP A 40 -5.608 -6.976 -14.794 1.00 54.34 N ATOM 586 CA ASP A 40 -6.617 -7.413 -13.836 1.00 2.00 C ATOM 587 C ASP A 40 -6.388 -6.767 -12.473 1.00 43.33 C ATOM 588 O ASP A 40 -7.285 -6.160 -11.888 1.00 31.22 O ATOM 589 CB ASP A 40 -6.597 -8.936 -13.702 1.00 22.44 C ATOM 590 CG ASP A 40 -7.594 -9.612 -14.622 1.00 14.02 C ATOM 591 OD1 ASP A 40 -8.809 -9.518 -14.351 1.00 15.45 O ATOM 592 OD2 ASP A 40 -7.160 -10.236 -15.613 1.00 1.11 O ATOM 0 H ASP A 40 -5.074 -7.734 -15.219 1.00 54.34 H new ATOM 0 HA ASP A 40 -7.594 -7.101 -14.206 1.00 2.00 H new ATOM 0 HB2 ASP A 40 -5.595 -9.304 -13.924 1.00 22.44 H new ATOM 0 HB3 ASP A 40 -6.816 -9.210 -12.670 1.00 22.44 H new ATOM 597 N PRO A 41 -5.158 -6.899 -11.954 1.00 60.14 N ATOM 598 CA PRO A 41 -4.782 -6.335 -10.654 1.00 74.34 C ATOM 599 C PRO A 41 -4.713 -4.812 -10.681 1.00 75.22 C ATOM 600 O PRO A 41 -4.804 -4.196 -11.742 1.00 2.40 O ATOM 601 CB PRO A 41 -3.395 -6.929 -10.398 1.00 0.12 C ATOM 602 CG PRO A 41 -2.854 -7.228 -11.753 1.00 73.04 C ATOM 603 CD PRO A 41 -4.039 -7.609 -12.597 1.00 74.10 C ATOM 0 HA PRO A 41 -5.512 -6.572 -9.880 1.00 74.34 H new ATOM 0 HB2 PRO A 41 -2.756 -6.226 -9.863 1.00 0.12 H new ATOM 0 HB3 PRO A 41 -3.457 -7.831 -9.789 1.00 0.12 H new ATOM 0 HG2 PRO A 41 -2.342 -6.360 -12.169 1.00 73.04 H new ATOM 0 HG3 PRO A 41 -2.127 -8.039 -11.713 1.00 73.04 H new ATOM 0 HD2 PRO A 41 -3.910 -7.300 -13.634 1.00 74.10 H new ATOM 0 HD3 PRO A 41 -4.198 -8.687 -12.603 1.00 74.10 H new ATOM 611 N GLY A 42 -4.552 -4.211 -9.506 1.00 52.34 N ATOM 612 CA GLY A 42 -4.474 -2.764 -9.418 1.00 64.32 C ATOM 613 C GLY A 42 -3.070 -2.244 -9.656 1.00 63.42 C ATOM 614 O GLY A 42 -2.888 -1.119 -10.122 1.00 51.12 O ATOM 0 H GLY A 42 -4.474 -4.700 -8.614 1.00 52.34 H new ATOM 0 HA2 GLY A 42 -5.151 -2.322 -10.149 1.00 64.32 H new ATOM 0 HA3 GLY A 42 -4.815 -2.444 -8.433 1.00 64.32 H new ATOM 618 N CYS A 43 -2.075 -3.064 -9.335 1.00 1.35 N ATOM 619 CA CYS A 43 -0.679 -2.679 -9.514 1.00 33.12 C ATOM 620 C CYS A 43 -0.342 -2.530 -10.994 1.00 32.12 C ATOM 621 O CYS A 43 0.714 -2.007 -11.351 1.00 40.15 O ATOM 622 CB CYS A 43 0.243 -3.715 -8.870 1.00 5.32 C ATOM 623 SG CYS A 43 0.191 -5.341 -9.658 1.00 23.33 S ATOM 0 H CYS A 43 -2.209 -3.999 -8.950 1.00 1.35 H new ATOM 0 HA CYS A 43 -0.527 -1.716 -9.027 1.00 33.12 H new ATOM 0 HB2 CYS A 43 1.267 -3.342 -8.899 1.00 5.32 H new ATOM 0 HB3 CYS A 43 -0.028 -3.823 -7.820 1.00 5.32 H new ATOM 0 HG CYS A 43 1.006 -6.147 -9.044 1.00 23.33 H new ATOM 629 N LEU A 44 -1.245 -2.995 -11.850 1.00 51.33 N ATOM 630 CA LEU A 44 -1.043 -2.915 -13.293 1.00 12.11 C ATOM 631 C LEU A 44 -1.715 -1.673 -13.869 1.00 12.41 C ATOM 632 O LEU A 44 -1.444 -1.276 -15.002 1.00 50.44 O ATOM 633 CB LEU A 44 -1.593 -4.169 -13.975 1.00 13.22 C ATOM 634 CG LEU A 44 -0.766 -4.718 -15.138 1.00 32.03 C ATOM 635 CD1 LEU A 44 -0.749 -3.730 -16.294 1.00 31.30 C ATOM 636 CD2 LEU A 44 0.651 -5.033 -14.682 1.00 61.21 C ATOM 0 H LEU A 44 -2.124 -3.431 -11.571 1.00 51.33 H new ATOM 0 HA LEU A 44 0.028 -2.846 -13.482 1.00 12.11 H new ATOM 0 HB2 LEU A 44 -1.692 -4.953 -13.224 1.00 13.22 H new ATOM 0 HB3 LEU A 44 -2.596 -3.949 -14.341 1.00 13.22 H new ATOM 0 HG LEU A 44 -1.229 -5.642 -15.484 1.00 32.03 H new ATOM 0 HD11 LEU A 44 -0.156 -4.138 -17.112 1.00 31.30 H new ATOM 0 HD12 LEU A 44 -1.768 -3.554 -16.637 1.00 31.30 H new ATOM 0 HD13 LEU A 44 -0.311 -2.789 -15.962 1.00 31.30 H new ATOM 0 HD21 LEU A 44 1.225 -5.423 -15.522 1.00 61.21 H new ATOM 0 HD22 LEU A 44 1.124 -4.124 -14.309 1.00 61.21 H new ATOM 0 HD23 LEU A 44 0.620 -5.778 -13.887 1.00 61.21 H new ATOM 648 N LYS A 45 -2.592 -1.061 -13.080 1.00 31.11 N ATOM 649 CA LYS A 45 -3.301 0.139 -13.509 1.00 32.34 C ATOM 650 C LYS A 45 -2.338 1.310 -13.674 1.00 12.13 C ATOM 651 O LYS A 45 -2.501 2.159 -14.550 1.00 44.50 O ATOM 652 CB LYS A 45 -4.392 0.500 -12.498 1.00 21.13 C ATOM 653 CG LYS A 45 -4.139 1.811 -11.773 1.00 34.41 C ATOM 654 CD LYS A 45 -5.074 1.981 -10.587 1.00 10.00 C ATOM 655 CE LYS A 45 -6.529 1.806 -10.994 1.00 60.23 C ATOM 656 NZ LYS A 45 -6.852 2.561 -12.236 1.00 51.13 N ATOM 0 H LYS A 45 -2.829 -1.377 -12.139 1.00 31.11 H new ATOM 0 HA LYS A 45 -3.763 -0.067 -14.475 1.00 32.34 H new ATOM 0 HB2 LYS A 45 -5.350 0.559 -13.015 1.00 21.13 H new ATOM 0 HB3 LYS A 45 -4.475 -0.301 -11.764 1.00 21.13 H new ATOM 0 HG2 LYS A 45 -3.105 1.845 -11.430 1.00 34.41 H new ATOM 0 HG3 LYS A 45 -4.273 2.642 -12.465 1.00 34.41 H new ATOM 0 HD2 LYS A 45 -4.821 1.253 -9.816 1.00 10.00 H new ATOM 0 HD3 LYS A 45 -4.934 2.970 -10.151 1.00 10.00 H new ATOM 0 HE2 LYS A 45 -6.738 0.747 -11.148 1.00 60.23 H new ATOM 0 HE3 LYS A 45 -7.176 2.145 -10.185 1.00 60.23 H new ATOM 0 HZ1 LYS A 45 -7.851 2.850 -12.217 1.00 51.13 H new ATOM 0 HZ2 LYS A 45 -6.248 3.406 -12.296 1.00 51.13 H new ATOM 0 HZ3 LYS A 45 -6.683 1.955 -13.064 1.00 51.13 H new ATOM 670 N PRO A 46 -1.310 1.358 -12.814 1.00 32.15 N ATOM 671 CA PRO A 46 -0.300 2.419 -12.846 1.00 2.52 C ATOM 672 C PRO A 46 0.603 2.324 -14.071 1.00 74.12 C ATOM 673 O PRO A 46 1.254 3.297 -14.453 1.00 1.23 O ATOM 674 CB PRO A 46 0.507 2.180 -11.567 1.00 63.14 C ATOM 675 CG PRO A 46 0.330 0.730 -11.273 1.00 52.33 C ATOM 676 CD PRO A 46 -1.055 0.379 -11.744 1.00 24.14 C ATOM 0 HA PRO A 46 -0.752 3.409 -12.903 1.00 2.52 H new ATOM 0 HB2 PRO A 46 1.558 2.430 -11.710 1.00 63.14 H new ATOM 0 HB3 PRO A 46 0.141 2.798 -10.747 1.00 63.14 H new ATOM 0 HG2 PRO A 46 1.081 0.132 -11.789 1.00 52.33 H new ATOM 0 HG3 PRO A 46 0.442 0.531 -10.207 1.00 52.33 H new ATOM 0 HD2 PRO A 46 -1.106 -0.645 -12.115 1.00 24.14 H new ATOM 0 HD3 PRO A 46 -1.786 0.463 -10.940 1.00 24.14 H new ATOM 684 N LEU A 47 0.636 1.146 -14.685 1.00 4.13 N ATOM 685 CA LEU A 47 1.459 0.923 -15.869 1.00 2.43 C ATOM 686 C LEU A 47 0.693 1.278 -17.139 1.00 32.11 C ATOM 687 O LEU A 47 1.282 1.700 -18.135 1.00 31.42 O ATOM 688 CB LEU A 47 1.920 -0.534 -15.927 1.00 74.11 C ATOM 689 CG LEU A 47 3.334 -0.812 -15.418 1.00 23.11 C ATOM 690 CD1 LEU A 47 3.376 -0.752 -13.899 1.00 22.21 C ATOM 691 CD2 LEU A 47 3.823 -2.165 -15.914 1.00 25.01 C ATOM 0 H LEU A 47 0.103 0.331 -14.383 1.00 4.13 H new ATOM 0 HA LEU A 47 2.333 1.571 -15.801 1.00 2.43 H new ATOM 0 HB2 LEU A 47 1.222 -1.138 -15.348 1.00 74.11 H new ATOM 0 HB3 LEU A 47 1.854 -0.874 -16.961 1.00 74.11 H new ATOM 0 HG LEU A 47 3.999 -0.042 -15.810 1.00 23.11 H new ATOM 0 HD11 LEU A 47 4.391 -0.952 -13.555 1.00 22.21 H new ATOM 0 HD12 LEU A 47 3.069 0.239 -13.565 1.00 22.21 H new ATOM 0 HD13 LEU A 47 2.699 -1.500 -13.486 1.00 22.21 H new ATOM 0 HD21 LEU A 47 4.831 -2.346 -15.542 1.00 25.01 H new ATOM 0 HD22 LEU A 47 3.157 -2.948 -15.552 1.00 25.01 H new ATOM 0 HD23 LEU A 47 3.832 -2.171 -17.004 1.00 25.01 H new ATOM 703 N HIS A 48 -0.625 1.106 -17.097 1.00 3.15 N ATOM 704 CA HIS A 48 -1.473 1.411 -18.244 1.00 23.34 C ATOM 705 C HIS A 48 -1.837 2.892 -18.272 1.00 0.03 C ATOM 706 O HIS A 48 -1.881 3.509 -19.335 1.00 41.23 O ATOM 707 CB HIS A 48 -2.744 0.562 -18.205 1.00 24.43 C ATOM 708 CG HIS A 48 -3.976 1.343 -17.866 1.00 23.12 C ATOM 709 ND1 HIS A 48 -4.357 1.623 -16.571 1.00 3.04 N ATOM 710 CD2 HIS A 48 -4.914 1.906 -18.663 1.00 31.24 C ATOM 711 CE1 HIS A 48 -5.477 2.323 -16.585 1.00 70.11 C ATOM 712 NE2 HIS A 48 -5.836 2.509 -17.843 1.00 31.54 N ATOM 0 H HIS A 48 -1.128 0.757 -16.281 1.00 3.15 H new ATOM 0 HA HIS A 48 -0.915 1.175 -19.150 1.00 23.34 H new ATOM 0 HB2 HIS A 48 -2.882 0.085 -19.175 1.00 24.43 H new ATOM 0 HB3 HIS A 48 -2.616 -0.235 -17.473 1.00 24.43 H new ATOM 0 HD1 HIS A 48 -3.853 1.335 -15.733 1.00 3.04 H new ATOM 0 HD2 HIS A 48 -4.934 1.885 -19.743 1.00 31.24 H new ATOM 0 HE1 HIS A 48 -6.009 2.682 -15.716 1.00 70.11 H new ATOM 720 N GLU A 49 -2.098 3.455 -17.096 1.00 22.10 N ATOM 721 CA GLU A 49 -2.460 4.863 -16.988 1.00 1.34 C ATOM 722 C GLU A 49 -1.434 5.745 -17.694 1.00 22.31 C ATOM 723 O GLU A 49 -1.777 6.777 -18.271 1.00 22.21 O ATOM 724 CB GLU A 49 -2.574 5.272 -15.517 1.00 64.15 C ATOM 725 CG GLU A 49 -1.375 4.864 -14.678 1.00 22.22 C ATOM 726 CD GLU A 49 -0.402 6.006 -14.455 1.00 75.12 C ATOM 727 OE1 GLU A 49 -0.095 6.723 -15.430 1.00 62.54 O ATOM 728 OE2 GLU A 49 0.050 6.183 -13.305 1.00 24.12 O ATOM 0 H GLU A 49 -2.065 2.958 -16.206 1.00 22.10 H new ATOM 0 HA GLU A 49 -3.427 5.001 -17.472 1.00 1.34 H new ATOM 0 HB2 GLU A 49 -2.697 6.353 -15.458 1.00 64.15 H new ATOM 0 HB3 GLU A 49 -3.473 4.825 -15.093 1.00 64.15 H new ATOM 0 HG2 GLU A 49 -1.721 4.493 -13.713 1.00 22.22 H new ATOM 0 HG3 GLU A 49 -0.856 4.041 -15.169 1.00 22.22 H new ATOM 735 N LYS A 50 -0.172 5.330 -17.644 1.00 13.43 N ATOM 736 CA LYS A 50 0.906 6.080 -18.278 1.00 75.12 C ATOM 737 C LYS A 50 0.610 6.312 -19.756 1.00 53.25 C ATOM 738 O LYS A 50 0.767 7.423 -20.264 1.00 23.14 O ATOM 739 CB LYS A 50 2.233 5.334 -18.124 1.00 32.21 C ATOM 740 CG LYS A 50 3.179 5.528 -19.296 1.00 23.41 C ATOM 741 CD LYS A 50 3.581 6.984 -19.453 1.00 5.51 C ATOM 742 CE LYS A 50 4.113 7.269 -20.849 1.00 63.53 C ATOM 743 NZ LYS A 50 3.189 8.138 -21.628 1.00 43.35 N ATOM 0 H LYS A 50 0.129 4.478 -17.171 1.00 13.43 H new ATOM 0 HA LYS A 50 0.981 7.049 -17.784 1.00 75.12 H new ATOM 0 HB2 LYS A 50 2.725 5.670 -17.211 1.00 32.21 H new ATOM 0 HB3 LYS A 50 2.030 4.270 -18.004 1.00 32.21 H new ATOM 0 HG2 LYS A 50 4.070 4.917 -19.150 1.00 23.41 H new ATOM 0 HG3 LYS A 50 2.701 5.181 -20.212 1.00 23.41 H new ATOM 0 HD2 LYS A 50 2.721 7.623 -19.253 1.00 5.51 H new ATOM 0 HD3 LYS A 50 4.343 7.234 -18.714 1.00 5.51 H new ATOM 0 HE2 LYS A 50 5.088 7.750 -20.775 1.00 63.53 H new ATOM 0 HE3 LYS A 50 4.261 6.329 -21.380 1.00 63.53 H new ATOM 0 HZ1 LYS A 50 3.236 7.881 -22.635 1.00 43.35 H new ATOM 0 HZ2 LYS A 50 2.217 8.008 -21.283 1.00 43.35 H new ATOM 0 HZ3 LYS A 50 3.468 9.133 -21.512 1.00 43.35 H new ATOM 757 N ASP A 51 0.179 5.259 -20.442 1.00 24.44 N ATOM 758 CA ASP A 51 -0.141 5.349 -21.861 1.00 71.34 C ATOM 759 C ASP A 51 -1.482 6.045 -22.073 1.00 3.33 C ATOM 760 O ASP A 51 -1.784 6.512 -23.171 1.00 5.52 O ATOM 761 CB ASP A 51 -0.173 3.954 -22.489 1.00 4.15 C ATOM 762 CG ASP A 51 1.141 3.215 -22.322 1.00 74.23 C ATOM 763 OD1 ASP A 51 2.181 3.748 -22.761 1.00 12.33 O ATOM 764 OD2 ASP A 51 1.128 2.102 -21.755 1.00 11.34 O ATOM 0 H ASP A 51 0.043 4.333 -20.037 1.00 24.44 H new ATOM 0 HA ASP A 51 0.636 5.940 -22.346 1.00 71.34 H new ATOM 0 HB2 ASP A 51 -0.975 3.372 -22.034 1.00 4.15 H new ATOM 0 HB3 ASP A 51 -0.405 4.041 -23.550 1.00 4.15 H new ATOM 769 N SER A 52 -2.283 6.110 -21.014 1.00 4.12 N ATOM 770 CA SER A 52 -3.593 6.745 -21.085 1.00 14.25 C ATOM 771 C SER A 52 -3.457 8.261 -21.198 1.00 74.55 C ATOM 772 O SER A 52 -4.242 8.914 -21.885 1.00 2.41 O ATOM 773 CB SER A 52 -4.424 6.388 -19.850 1.00 60.35 C ATOM 774 OG SER A 52 -5.632 5.745 -20.218 1.00 32.33 O ATOM 0 H SER A 52 -2.047 5.731 -20.097 1.00 4.12 H new ATOM 0 HA SER A 52 -4.100 6.375 -21.976 1.00 14.25 H new ATOM 0 HB2 SER A 52 -3.846 5.736 -19.195 1.00 60.35 H new ATOM 0 HB3 SER A 52 -4.647 7.292 -19.284 1.00 60.35 H new ATOM 0 HG SER A 52 -5.488 4.776 -20.258 1.00 32.33 H new ATOM 780 N GLU A 53 -2.456 8.811 -20.520 1.00 4.21 N ATOM 781 CA GLU A 53 -2.217 10.250 -20.544 1.00 70.51 C ATOM 782 C GLU A 53 -2.017 10.744 -21.974 1.00 20.11 C ATOM 783 O GLU A 53 -2.473 11.828 -22.337 1.00 2.34 O ATOM 784 CB GLU A 53 -0.993 10.600 -19.696 1.00 1.33 C ATOM 785 CG GLU A 53 -1.007 9.965 -18.315 1.00 42.05 C ATOM 786 CD GLU A 53 -2.223 10.363 -17.502 1.00 72.02 C ATOM 787 OE1 GLU A 53 -2.722 11.492 -17.693 1.00 61.31 O ATOM 788 OE2 GLU A 53 -2.676 9.545 -16.675 1.00 35.52 O ATOM 0 H GLU A 53 -1.797 8.283 -19.947 1.00 4.21 H new ATOM 0 HA GLU A 53 -3.093 10.745 -20.126 1.00 70.51 H new ATOM 0 HB2 GLU A 53 -0.093 10.283 -20.223 1.00 1.33 H new ATOM 0 HB3 GLU A 53 -0.934 11.683 -19.588 1.00 1.33 H new ATOM 0 HG2 GLU A 53 -0.983 8.880 -18.418 1.00 42.05 H new ATOM 0 HG3 GLU A 53 -0.104 10.255 -17.777 1.00 42.05 H new ATOM 795 N SER A 54 -1.332 9.940 -22.781 1.00 44.51 N ATOM 796 CA SER A 54 -1.067 10.297 -24.170 1.00 2.20 C ATOM 797 C SER A 54 -2.191 9.811 -25.080 1.00 12.34 C ATOM 798 O SER A 54 -2.468 10.411 -26.118 1.00 30.24 O ATOM 799 CB SER A 54 0.267 9.702 -24.626 1.00 52.01 C ATOM 800 OG SER A 54 1.358 10.471 -24.150 1.00 32.31 O ATOM 0 H SER A 54 -0.951 9.038 -22.497 1.00 44.51 H new ATOM 0 HA SER A 54 -1.014 11.384 -24.236 1.00 2.20 H new ATOM 0 HB2 SER A 54 0.355 8.678 -24.264 1.00 52.01 H new ATOM 0 HB3 SER A 54 0.296 9.659 -25.715 1.00 52.01 H new ATOM 0 HG SER A 54 2.199 10.069 -24.454 1.00 32.31 H new ATOM 806 N GLY A 55 -2.836 8.719 -24.681 1.00 14.21 N ATOM 807 CA GLY A 55 -3.923 8.170 -25.470 1.00 72.04 C ATOM 808 C GLY A 55 -5.204 8.968 -25.328 1.00 40.24 C ATOM 809 O GLY A 55 -6.136 8.805 -26.115 1.00 43.30 O ATOM 0 H GLY A 55 -2.625 8.205 -23.826 1.00 14.21 H new ATOM 0 HA2 GLY A 55 -3.629 8.144 -26.519 1.00 72.04 H new ATOM 0 HA3 GLY A 55 -4.105 7.140 -25.165 1.00 72.04 H new ATOM 813 N GLY A 56 -5.252 9.834 -24.320 1.00 64.30 N ATOM 814 CA GLY A 56 -6.433 10.646 -24.095 1.00 20.12 C ATOM 815 C GLY A 56 -6.785 11.503 -25.295 1.00 23.05 C ATOM 816 O GLY A 56 -7.927 11.936 -25.444 1.00 24.33 O ATOM 0 H GLY A 56 -4.494 9.987 -23.655 1.00 64.30 H new ATOM 0 HA2 GLY A 56 -7.276 9.997 -23.856 1.00 20.12 H new ATOM 0 HA3 GLY A 56 -6.269 11.288 -23.229 1.00 20.12 H new ATOM 820 N GLY A 57 -5.800 11.751 -26.152 1.00 65.45 N ATOM 821 CA GLY A 57 -6.031 12.562 -27.333 1.00 45.31 C ATOM 822 C GLY A 57 -7.007 11.919 -28.297 1.00 71.42 C ATOM 823 O GLY A 57 -7.921 12.575 -28.798 1.00 62.51 O ATOM 0 H GLY A 57 -4.846 11.405 -26.050 1.00 65.45 H new ATOM 0 HA2 GLY A 57 -6.413 13.537 -27.031 1.00 45.31 H new ATOM 0 HA3 GLY A 57 -5.083 12.735 -27.842 1.00 45.31 H new ATOM 827 N LYS A 58 -6.814 10.631 -28.560 1.00 72.43 N ATOM 828 CA LYS A 58 -7.684 9.897 -29.471 1.00 74.44 C ATOM 829 C LYS A 58 -8.959 9.448 -28.763 1.00 61.05 C ATOM 830 O LYS A 58 -10.004 9.280 -29.393 1.00 25.01 O ATOM 831 CB LYS A 58 -6.950 8.681 -30.042 1.00 55.01 C ATOM 832 CG LYS A 58 -7.812 7.822 -30.952 1.00 1.15 C ATOM 833 CD LYS A 58 -8.306 8.607 -32.155 1.00 74.43 C ATOM 834 CE LYS A 58 -9.139 7.736 -33.084 1.00 51.20 C ATOM 835 NZ LYS A 58 -10.582 8.102 -33.042 1.00 41.41 N ATOM 0 H LYS A 58 -6.062 10.074 -28.155 1.00 72.43 H new ATOM 0 HA LYS A 58 -7.959 10.565 -30.288 1.00 74.44 H new ATOM 0 HB2 LYS A 58 -6.077 9.022 -30.598 1.00 55.01 H new ATOM 0 HB3 LYS A 58 -6.584 8.068 -29.218 1.00 55.01 H new ATOM 0 HG2 LYS A 58 -7.238 6.959 -31.290 1.00 1.15 H new ATOM 0 HG3 LYS A 58 -8.665 7.438 -30.392 1.00 1.15 H new ATOM 0 HD2 LYS A 58 -8.902 9.455 -31.818 1.00 74.43 H new ATOM 0 HD3 LYS A 58 -7.454 9.013 -32.701 1.00 74.43 H new ATOM 0 HE2 LYS A 58 -8.769 7.836 -34.104 1.00 51.20 H new ATOM 0 HE3 LYS A 58 -9.021 6.689 -32.803 1.00 51.20 H new ATOM 0 HZ1 LYS A 58 -11.115 7.486 -33.688 1.00 41.41 H new ATOM 0 HZ2 LYS A 58 -10.942 7.983 -32.074 1.00 41.41 H new ATOM 0 HZ3 LYS A 58 -10.697 9.093 -33.335 1.00 41.41 H new ATOM 849 N ASP A 59 -8.866 9.257 -27.452 1.00 42.21 N ATOM 850 CA ASP A 59 -10.012 8.831 -26.658 1.00 73.43 C ATOM 851 C ASP A 59 -11.061 9.935 -26.581 1.00 54.55 C ATOM 852 O ASP A 59 -12.246 9.668 -26.384 1.00 41.10 O ATOM 853 CB ASP A 59 -9.566 8.435 -25.250 1.00 2.42 C ATOM 854 CG ASP A 59 -9.893 6.992 -24.923 1.00 25.44 C ATOM 855 OD1 ASP A 59 -11.063 6.595 -25.097 1.00 74.40 O ATOM 856 OD2 ASP A 59 -8.978 6.259 -24.491 1.00 65.14 O ATOM 0 H ASP A 59 -8.008 9.391 -26.916 1.00 42.21 H new ATOM 0 HA ASP A 59 -10.458 7.965 -27.146 1.00 73.43 H new ATOM 0 HB2 ASP A 59 -8.491 8.591 -25.155 1.00 2.42 H new ATOM 0 HB3 ASP A 59 -10.048 9.088 -24.522 1.00 2.42 H new ATOM 861 N GLY A 60 -10.617 11.179 -26.738 1.00 61.20 N ATOM 862 CA GLY A 60 -11.530 12.306 -26.682 1.00 23.42 C ATOM 863 C GLY A 60 -12.115 12.646 -28.038 1.00 72.41 C ATOM 864 O GLY A 60 -11.749 12.045 -29.048 1.00 24.10 O ATOM 0 H GLY A 60 -9.641 11.426 -26.903 1.00 61.20 H new ATOM 0 HA2 GLY A 60 -12.339 12.080 -25.987 1.00 23.42 H new ATOM 0 HA3 GLY A 60 -11.005 13.176 -26.288 1.00 23.42 H new