USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=9 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -109:sc= -2.02 (180deg=-4.74!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.72 K(o=-2.7,f=-3.6) USER MOD Single : A 29 SER OG : rot 90:sc= 1.22 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 93:sc= 1.29 USER MOD Single : A 36 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.0055) USER MOD Single : A 43 CYS SG : rot 180:sc= -0.0719 USER MOD Single : A 45 LYS NZ :NH3+ -139:sc= -0.971 (180deg=-3.76!) USER MOD Single : A 48 HIS : no HE2:sc= -9.76! C(o=-9.8!,f=-13!) USER MOD Single : A 50 LYS NZ :NH3+ -156:sc= 0.218 (180deg=0.0775) USER MOD Single : A 52 SER OG : rot 180:sc= -1.5! USER MOD Single : A 54 SER OG : rot 180:sc= 0.00786 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N VAL A 3 2.071 2.401 -5.855 1.00 62.04 N ATOM 43 CA VAL A 3 2.613 2.099 -7.175 1.00 33.10 C ATOM 44 C VAL A 3 2.195 3.152 -8.195 1.00 1.32 C ATOM 45 O VAL A 3 2.979 3.537 -9.062 1.00 15.34 O ATOM 46 CB VAL A 3 2.153 0.714 -7.667 1.00 31.53 C ATOM 47 CG1 VAL A 3 3.026 0.239 -8.818 1.00 73.24 C ATOM 48 CG2 VAL A 3 2.172 -0.290 -6.524 1.00 33.23 C ATOM 0 HA VAL A 3 3.699 2.101 -7.079 1.00 33.10 H new ATOM 0 HB VAL A 3 1.129 0.798 -8.030 1.00 31.53 H new ATOM 0 HG11 VAL A 3 2.686 -0.741 -9.152 1.00 73.24 H new ATOM 0 HG12 VAL A 3 2.957 0.948 -9.643 1.00 73.24 H new ATOM 0 HG13 VAL A 3 4.061 0.169 -8.485 1.00 73.24 H new ATOM 0 HG21 VAL A 3 1.844 -1.263 -6.889 1.00 33.23 H new ATOM 0 HG22 VAL A 3 3.185 -0.373 -6.129 1.00 33.23 H new ATOM 0 HG23 VAL A 3 1.501 0.046 -5.734 1.00 33.23 H new ATOM 58 N GLY A 4 0.954 3.616 -8.084 1.00 73.14 N ATOM 59 CA GLY A 4 0.453 4.621 -9.003 1.00 51.41 C ATOM 60 C GLY A 4 -0.920 4.278 -9.546 1.00 41.04 C ATOM 61 O GLY A 4 -1.459 4.995 -10.390 1.00 62.32 O ATOM 0 H GLY A 4 0.287 3.314 -7.374 1.00 73.14 H new ATOM 0 HA2 GLY A 4 0.409 5.584 -8.494 1.00 51.41 H new ATOM 0 HA3 GLY A 4 1.151 4.730 -9.833 1.00 51.41 H new ATOM 65 N PHE A 5 -1.487 3.178 -9.064 1.00 34.44 N ATOM 66 CA PHE A 5 -2.805 2.739 -9.508 1.00 70.22 C ATOM 67 C PHE A 5 -3.847 3.831 -9.283 1.00 23.32 C ATOM 68 O PHE A 5 -4.912 3.825 -9.900 1.00 40.21 O ATOM 69 CB PHE A 5 -3.218 1.464 -8.769 1.00 43.21 C ATOM 70 CG PHE A 5 -2.987 1.530 -7.286 1.00 62.44 C ATOM 71 CD1 PHE A 5 -3.895 2.170 -6.458 1.00 63.32 C ATOM 72 CD2 PHE A 5 -1.862 0.951 -6.721 1.00 34.52 C ATOM 73 CE1 PHE A 5 -3.684 2.232 -5.094 1.00 31.03 C ATOM 74 CE2 PHE A 5 -1.647 1.009 -5.357 1.00 3.23 C ATOM 75 CZ PHE A 5 -2.559 1.650 -4.542 1.00 74.01 C ATOM 0 H PHE A 5 -1.055 2.574 -8.365 1.00 34.44 H new ATOM 0 HA PHE A 5 -2.749 2.529 -10.576 1.00 70.22 H new ATOM 0 HB2 PHE A 5 -4.274 1.271 -8.956 1.00 43.21 H new ATOM 0 HB3 PHE A 5 -2.662 0.620 -9.178 1.00 43.21 H new ATOM 0 HD1 PHE A 5 -4.777 2.625 -6.883 1.00 63.32 H new ATOM 0 HD2 PHE A 5 -1.145 0.449 -7.354 1.00 34.52 H new ATOM 0 HE1 PHE A 5 -4.398 2.735 -4.459 1.00 31.03 H new ATOM 0 HE2 PHE A 5 -0.766 0.553 -4.929 1.00 3.23 H new ATOM 0 HZ PHE A 5 -2.393 1.696 -3.476 1.00 74.01 H new ATOM 85 N PHE A 6 -3.531 4.766 -8.393 1.00 52.55 N ATOM 86 CA PHE A 6 -4.440 5.865 -8.084 1.00 64.43 C ATOM 87 C PHE A 6 -4.758 6.676 -9.337 1.00 35.31 C ATOM 88 O PHE A 6 -5.820 7.292 -9.439 1.00 23.45 O ATOM 89 CB PHE A 6 -3.829 6.774 -7.016 1.00 32.01 C ATOM 90 CG PHE A 6 -4.659 6.873 -5.768 1.00 23.34 C ATOM 91 CD1 PHE A 6 -4.878 5.757 -4.976 1.00 1.13 C ATOM 92 CD2 PHE A 6 -5.219 8.081 -5.386 1.00 3.21 C ATOM 93 CE1 PHE A 6 -5.641 5.845 -3.827 1.00 55.20 C ATOM 94 CE2 PHE A 6 -5.983 8.175 -4.238 1.00 1.41 C ATOM 95 CZ PHE A 6 -6.194 7.056 -3.457 1.00 44.00 C ATOM 0 H PHE A 6 -2.654 4.785 -7.873 1.00 52.55 H new ATOM 0 HA PHE A 6 -5.368 5.440 -7.702 1.00 64.43 H new ATOM 0 HB2 PHE A 6 -2.839 6.401 -6.756 1.00 32.01 H new ATOM 0 HB3 PHE A 6 -3.694 7.772 -7.433 1.00 32.01 H new ATOM 0 HD1 PHE A 6 -4.448 4.808 -5.260 1.00 1.13 H new ATOM 0 HD2 PHE A 6 -5.057 8.960 -5.992 1.00 3.21 H new ATOM 0 HE1 PHE A 6 -5.805 4.968 -3.219 1.00 55.20 H new ATOM 0 HE2 PHE A 6 -6.415 9.123 -3.952 1.00 1.41 H new ATOM 0 HZ PHE A 6 -6.790 7.127 -2.559 1.00 44.00 H new ATOM 105 N LYS A 7 -3.832 6.672 -10.289 1.00 24.41 N ATOM 106 CA LYS A 7 -4.012 7.405 -11.536 1.00 3.41 C ATOM 107 C LYS A 7 -5.229 6.892 -12.298 1.00 15.50 C ATOM 108 O LYS A 7 -5.733 7.559 -13.202 1.00 74.11 O ATOM 109 CB LYS A 7 -2.761 7.282 -12.409 1.00 52.13 C ATOM 110 CG LYS A 7 -2.722 8.274 -13.559 1.00 1.11 C ATOM 111 CD LYS A 7 -2.022 9.563 -13.160 1.00 31.50 C ATOM 112 CE LYS A 7 -0.559 9.320 -12.820 1.00 54.23 C ATOM 113 NZ LYS A 7 0.351 9.887 -13.853 1.00 42.50 N ATOM 0 H LYS A 7 -2.948 6.168 -10.221 1.00 24.41 H new ATOM 0 HA LYS A 7 -4.175 8.455 -11.291 1.00 3.41 H new ATOM 0 HB2 LYS A 7 -1.878 7.426 -11.786 1.00 52.13 H new ATOM 0 HB3 LYS A 7 -2.707 6.270 -12.811 1.00 52.13 H new ATOM 0 HG2 LYS A 7 -2.206 7.827 -14.409 1.00 1.11 H new ATOM 0 HG3 LYS A 7 -3.739 8.496 -13.884 1.00 1.11 H new ATOM 0 HD2 LYS A 7 -2.093 10.284 -13.975 1.00 31.50 H new ATOM 0 HD3 LYS A 7 -2.528 10.002 -12.301 1.00 31.50 H new ATOM 0 HE2 LYS A 7 -0.332 9.766 -11.852 1.00 54.23 H new ATOM 0 HE3 LYS A 7 -0.381 8.249 -12.727 1.00 54.23 H new ATOM 0 HZ1 LYS A 7 1.339 9.701 -13.585 1.00 42.50 H new ATOM 0 HZ2 LYS A 7 0.152 9.443 -14.772 1.00 42.50 H new ATOM 0 HZ3 LYS A 7 0.199 10.913 -13.924 1.00 42.50 H new ATOM 127 N ARG A 8 -5.698 5.706 -11.926 1.00 21.30 N ATOM 128 CA ARG A 8 -6.857 5.104 -12.575 1.00 1.34 C ATOM 129 C ARG A 8 -8.011 6.099 -12.658 1.00 4.50 C ATOM 130 O ARG A 8 -8.702 6.179 -13.672 1.00 54.00 O ATOM 131 CB ARG A 8 -7.302 3.854 -11.814 1.00 61.21 C ATOM 132 CG ARG A 8 -8.626 3.285 -12.298 1.00 42.42 C ATOM 133 CD ARG A 8 -9.758 3.617 -11.339 1.00 54.11 C ATOM 134 NE ARG A 8 -11.064 3.553 -11.991 1.00 21.33 N ATOM 135 CZ ARG A 8 -12.215 3.536 -11.329 1.00 35.51 C ATOM 136 NH1 ARG A 8 -12.223 3.578 -10.004 1.00 10.13 N ATOM 137 NH2 ARG A 8 -13.363 3.476 -11.993 1.00 2.12 N ATOM 0 H ARG A 8 -5.293 5.142 -11.178 1.00 21.30 H new ATOM 0 HA ARG A 8 -6.569 4.822 -13.588 1.00 1.34 H new ATOM 0 HB2 ARG A 8 -6.532 3.089 -11.907 1.00 61.21 H new ATOM 0 HB3 ARG A 8 -7.385 4.095 -10.754 1.00 61.21 H new ATOM 0 HG2 ARG A 8 -8.856 3.684 -13.286 1.00 42.42 H new ATOM 0 HG3 ARG A 8 -8.542 2.203 -12.403 1.00 42.42 H new ATOM 0 HD2 ARG A 8 -9.737 2.922 -10.499 1.00 54.11 H new ATOM 0 HD3 ARG A 8 -9.606 4.616 -10.930 1.00 54.11 H new ATOM 0 HE ARG A 8 -11.093 3.520 -13.010 1.00 21.33 H new ATOM 0 HH11 ARG A 8 -11.343 3.624 -9.490 1.00 10.13 H new ATOM 0 HH12 ARG A 8 -13.109 3.565 -9.499 1.00 10.13 H new ATOM 0 HH21 ARG A 8 -13.361 3.443 -13.012 1.00 2.12 H new ATOM 0 HH22 ARG A 8 -14.247 3.463 -11.484 1.00 2.12 H new ATOM 151 N ASN A 9 -8.211 6.856 -11.584 1.00 15.02 N ATOM 152 CA ASN A 9 -9.282 7.845 -11.535 1.00 41.31 C ATOM 153 C ASN A 9 -8.853 9.145 -12.210 1.00 30.40 C ATOM 154 O ASN A 9 -9.618 9.748 -12.963 1.00 74.25 O ATOM 155 CB ASN A 9 -9.685 8.120 -10.085 1.00 33.21 C ATOM 156 CG ASN A 9 -10.618 7.059 -9.534 1.00 34.03 C ATOM 157 OD1 ASN A 9 -11.809 7.040 -9.848 1.00 23.35 O ATOM 158 ND2 ASN A 9 -10.081 6.170 -8.707 1.00 25.21 N ATOM 0 H ASN A 9 -7.646 6.804 -10.736 1.00 15.02 H new ATOM 0 HA ASN A 9 -10.140 7.442 -12.073 1.00 41.31 H new ATOM 0 HB2 ASN A 9 -8.790 8.170 -9.465 1.00 33.21 H new ATOM 0 HB3 ASN A 9 -10.170 9.094 -10.024 1.00 33.21 H new ATOM 0 HD21 ASN A 9 -10.660 5.433 -8.304 1.00 25.21 H new ATOM 0 HD22 ASN A 9 -9.089 6.224 -8.474 1.00 25.21 H new ATOM 165 N LEU A 10 -7.625 9.570 -11.935 1.00 61.03 N ATOM 166 CA LEU A 10 -7.093 10.798 -12.516 1.00 63.32 C ATOM 167 C LEU A 10 -7.122 10.736 -14.040 1.00 41.40 C ATOM 168 O LEU A 10 -7.286 11.756 -14.710 1.00 43.14 O ATOM 169 CB LEU A 10 -5.662 11.036 -12.031 1.00 44.04 C ATOM 170 CG LEU A 10 -5.272 12.493 -11.779 1.00 33.04 C ATOM 171 CD1 LEU A 10 -3.761 12.634 -11.688 1.00 62.32 C ATOM 172 CD2 LEU A 10 -5.829 13.391 -12.874 1.00 1.34 C ATOM 0 H LEU A 10 -6.979 9.083 -11.314 1.00 61.03 H new ATOM 0 HA LEU A 10 -7.723 11.627 -12.192 1.00 63.32 H new ATOM 0 HB2 LEU A 10 -5.515 10.477 -11.107 1.00 44.04 H new ATOM 0 HB3 LEU A 10 -4.976 10.620 -12.768 1.00 44.04 H new ATOM 0 HG LEU A 10 -5.702 12.805 -10.827 1.00 33.04 H new ATOM 0 HD11 LEU A 10 -3.503 13.678 -11.508 1.00 62.32 H new ATOM 0 HD12 LEU A 10 -3.387 12.022 -10.867 1.00 62.32 H new ATOM 0 HD13 LEU A 10 -3.308 12.304 -12.623 1.00 62.32 H new ATOM 0 HD21 LEU A 10 -5.542 14.424 -12.678 1.00 1.34 H new ATOM 0 HD22 LEU A 10 -5.429 13.079 -13.839 1.00 1.34 H new ATOM 0 HD23 LEU A 10 -6.916 13.314 -12.890 1.00 1.34 H new ATOM 184 N LYS A 11 -6.964 9.533 -14.582 1.00 10.53 N ATOM 185 CA LYS A 11 -6.976 9.337 -16.026 1.00 64.14 C ATOM 186 C LYS A 11 -8.376 8.981 -16.516 1.00 2.12 C ATOM 187 O LYS A 11 -8.703 9.179 -17.685 1.00 44.15 O ATOM 188 CB LYS A 11 -5.991 8.233 -16.420 1.00 3.55 C ATOM 189 CG LYS A 11 -4.998 8.657 -17.488 1.00 71.34 C ATOM 190 CD LYS A 11 -4.430 10.037 -17.206 1.00 41.54 C ATOM 191 CE LYS A 11 -3.895 10.141 -15.786 1.00 73.32 C ATOM 192 NZ LYS A 11 -3.629 11.553 -15.395 1.00 61.30 N ATOM 0 H LYS A 11 -6.826 8.679 -14.042 1.00 10.53 H new ATOM 0 HA LYS A 11 -6.672 10.272 -16.496 1.00 64.14 H new ATOM 0 HB2 LYS A 11 -5.444 7.913 -15.533 1.00 3.55 H new ATOM 0 HB3 LYS A 11 -6.551 7.369 -16.779 1.00 3.55 H new ATOM 0 HG2 LYS A 11 -4.186 7.932 -17.539 1.00 71.34 H new ATOM 0 HG3 LYS A 11 -5.488 8.656 -18.462 1.00 71.34 H new ATOM 0 HD2 LYS A 11 -3.630 10.254 -17.914 1.00 41.54 H new ATOM 0 HD3 LYS A 11 -5.204 10.789 -17.360 1.00 41.54 H new ATOM 0 HE2 LYS A 11 -4.614 9.702 -15.094 1.00 73.32 H new ATOM 0 HE3 LYS A 11 -2.976 9.561 -15.701 1.00 73.32 H new ATOM 0 HZ1 LYS A 11 -2.602 11.710 -15.337 1.00 61.30 H new ATOM 0 HZ2 LYS A 11 -4.038 12.193 -16.106 1.00 61.30 H new ATOM 0 HZ3 LYS A 11 -4.061 11.744 -14.468 1.00 61.30 H new ATOM 206 N GLU A 12 -9.198 8.457 -15.613 1.00 32.44 N ATOM 207 CA GLU A 12 -10.563 8.075 -15.954 1.00 74.51 C ATOM 208 C GLU A 12 -11.270 9.197 -16.709 1.00 1.14 C ATOM 209 O GLU A 12 -12.156 8.949 -17.527 1.00 43.30 O ATOM 210 CB GLU A 12 -11.349 7.722 -14.690 1.00 33.44 C ATOM 211 CG GLU A 12 -12.077 8.905 -14.075 1.00 1.51 C ATOM 212 CD GLU A 12 -13.468 9.096 -14.647 1.00 51.42 C ATOM 213 OE1 GLU A 12 -14.145 8.082 -14.913 1.00 72.34 O ATOM 214 OE2 GLU A 12 -13.879 10.262 -14.829 1.00 34.34 O ATOM 0 H GLU A 12 -8.943 8.287 -14.640 1.00 32.44 H new ATOM 0 HA GLU A 12 -10.516 7.199 -16.600 1.00 74.51 H new ATOM 0 HB2 GLU A 12 -12.074 6.944 -14.929 1.00 33.44 H new ATOM 0 HB3 GLU A 12 -10.665 7.304 -13.952 1.00 33.44 H new ATOM 0 HG2 GLU A 12 -12.148 8.762 -12.997 1.00 1.51 H new ATOM 0 HG3 GLU A 12 -11.493 9.811 -14.239 1.00 1.51 H new ATOM 221 N LYS A 13 -10.872 10.433 -16.427 1.00 11.12 N ATOM 222 CA LYS A 13 -11.465 11.595 -17.078 1.00 1.43 C ATOM 223 C LYS A 13 -10.885 11.791 -18.475 1.00 12.11 C ATOM 224 O LYS A 13 -11.595 12.183 -19.402 1.00 3.32 O ATOM 225 CB LYS A 13 -11.230 12.852 -16.236 1.00 74.21 C ATOM 226 CG LYS A 13 -9.783 13.312 -16.220 1.00 61.22 C ATOM 227 CD LYS A 13 -9.611 14.584 -15.408 1.00 11.33 C ATOM 228 CE LYS A 13 -10.279 15.772 -16.084 1.00 31.22 C ATOM 229 NZ LYS A 13 -9.339 16.914 -16.255 1.00 63.32 N ATOM 0 H LYS A 13 -10.141 10.656 -15.752 1.00 11.12 H new ATOM 0 HA LYS A 13 -12.537 11.421 -17.170 1.00 1.43 H new ATOM 0 HB2 LYS A 13 -11.855 13.658 -16.620 1.00 74.21 H new ATOM 0 HB3 LYS A 13 -11.552 12.659 -15.213 1.00 74.21 H new ATOM 0 HG2 LYS A 13 -9.155 12.525 -15.802 1.00 61.22 H new ATOM 0 HG3 LYS A 13 -9.443 13.483 -17.242 1.00 61.22 H new ATOM 0 HD2 LYS A 13 -10.037 14.443 -14.414 1.00 11.33 H new ATOM 0 HD3 LYS A 13 -8.549 14.790 -15.274 1.00 11.33 H new ATOM 0 HE2 LYS A 13 -10.661 15.468 -17.058 1.00 31.22 H new ATOM 0 HE3 LYS A 13 -11.136 16.093 -15.491 1.00 31.22 H new ATOM 0 HZ1 LYS A 13 -9.832 17.703 -16.719 1.00 63.32 H new ATOM 0 HZ2 LYS A 13 -8.993 17.222 -15.324 1.00 63.32 H new ATOM 0 HZ3 LYS A 13 -8.534 16.616 -16.842 1.00 63.32 H new ATOM 243 N ILE A 14 -9.594 11.514 -18.619 1.00 3.32 N ATOM 244 CA ILE A 14 -8.921 11.658 -19.904 1.00 23.32 C ATOM 245 C ILE A 14 -9.577 10.785 -20.968 1.00 42.14 C ATOM 246 O ILE A 14 -9.806 11.229 -22.093 1.00 61.40 O ATOM 247 CB ILE A 14 -7.429 11.289 -19.802 1.00 43.41 C ATOM 248 CG1 ILE A 14 -6.615 12.495 -19.328 1.00 24.15 C ATOM 249 CG2 ILE A 14 -6.914 10.791 -21.144 1.00 23.30 C ATOM 250 CD1 ILE A 14 -6.854 12.853 -17.878 1.00 35.14 C ATOM 0 H ILE A 14 -8.993 11.189 -17.862 1.00 3.32 H new ATOM 0 HA ILE A 14 -9.009 12.706 -20.191 1.00 23.32 H new ATOM 0 HB ILE A 14 -7.317 10.488 -19.071 1.00 43.41 H new ATOM 0 HG12 ILE A 14 -5.555 12.287 -19.472 1.00 24.15 H new ATOM 0 HG13 ILE A 14 -6.859 13.355 -19.951 1.00 24.15 H new ATOM 0 HG21 ILE A 14 -5.858 10.534 -21.056 1.00 23.30 H new ATOM 0 HG22 ILE A 14 -7.478 9.908 -21.445 1.00 23.30 H new ATOM 0 HG23 ILE A 14 -7.036 11.573 -21.893 1.00 23.30 H new ATOM 0 HD11 ILE A 14 -6.245 13.716 -17.611 1.00 35.14 H new ATOM 0 HD12 ILE A 14 -7.907 13.093 -17.731 1.00 35.14 H new ATOM 0 HD13 ILE A 14 -6.583 12.008 -17.245 1.00 35.14 H new ATOM 262 N GLU A 15 -9.878 9.543 -20.604 1.00 70.52 N ATOM 263 CA GLU A 15 -10.509 8.608 -21.529 1.00 12.13 C ATOM 264 C GLU A 15 -11.704 9.254 -22.225 1.00 5.42 C ATOM 265 O GLU A 15 -12.158 8.783 -23.267 1.00 4.30 O ATOM 266 CB GLU A 15 -10.958 7.347 -20.787 1.00 52.31 C ATOM 267 CG GLU A 15 -11.940 6.495 -21.574 1.00 43.20 C ATOM 268 CD GLU A 15 -12.097 5.102 -20.996 1.00 12.32 C ATOM 269 OE1 GLU A 15 -11.109 4.575 -20.444 1.00 21.51 O ATOM 270 OE2 GLU A 15 -13.208 4.540 -21.095 1.00 44.03 O ATOM 0 H GLU A 15 -9.696 9.161 -19.676 1.00 70.52 H new ATOM 0 HA GLU A 15 -9.774 8.334 -22.286 1.00 12.13 H new ATOM 0 HB2 GLU A 15 -10.081 6.746 -20.545 1.00 52.31 H new ATOM 0 HB3 GLU A 15 -11.417 7.636 -19.842 1.00 52.31 H new ATOM 0 HG2 GLU A 15 -12.912 6.989 -21.591 1.00 43.20 H new ATOM 0 HG3 GLU A 15 -11.603 6.420 -22.608 1.00 43.20 H new ATOM 277 N ALA A 16 -12.208 10.336 -21.640 1.00 4.12 N ATOM 278 CA ALA A 16 -13.348 11.048 -22.204 1.00 4.35 C ATOM 279 C ALA A 16 -13.017 12.519 -22.435 1.00 25.23 C ATOM 280 O ALA A 16 -13.644 13.184 -23.257 1.00 42.45 O ATOM 281 CB ALA A 16 -14.557 10.915 -21.290 1.00 73.14 C ATOM 0 H ALA A 16 -11.845 10.738 -20.776 1.00 4.12 H new ATOM 0 HA ALA A 16 -13.584 10.600 -23.169 1.00 4.35 H new ATOM 0 HB1 ALA A 16 -15.401 11.451 -21.723 1.00 73.14 H new ATOM 0 HB2 ALA A 16 -14.815 9.862 -21.179 1.00 73.14 H new ATOM 0 HB3 ALA A 16 -14.322 11.336 -20.313 1.00 73.14 H new ATOM 287 N GLY A 17 -12.027 13.020 -21.702 1.00 44.32 N ATOM 288 CA GLY A 17 -11.630 14.409 -21.842 1.00 54.30 C ATOM 289 C GLY A 17 -10.871 14.669 -23.128 1.00 72.00 C ATOM 290 O GLY A 17 -11.449 14.638 -24.215 1.00 23.42 O ATOM 0 H GLY A 17 -11.493 12.489 -21.014 1.00 44.32 H new ATOM 0 HA2 GLY A 17 -12.517 15.042 -21.813 1.00 54.30 H new ATOM 0 HA3 GLY A 17 -11.008 14.693 -20.993 1.00 54.30 H new ATOM 294 N ARG A 18 -9.573 14.928 -23.005 1.00 74.22 N ATOM 295 CA ARG A 18 -8.735 15.197 -24.167 1.00 42.10 C ATOM 296 C ARG A 18 -7.263 14.959 -23.842 1.00 50.20 C ATOM 297 O ARG A 18 -6.376 15.506 -24.496 1.00 11.31 O ATOM 298 CB ARG A 18 -8.936 16.636 -24.646 1.00 13.14 C ATOM 299 CG ARG A 18 -8.694 17.677 -23.565 1.00 33.13 C ATOM 300 CD ARG A 18 -7.484 18.540 -23.884 1.00 4.15 C ATOM 301 NE ARG A 18 -7.391 19.701 -23.002 1.00 33.43 N ATOM 302 CZ ARG A 18 -6.437 20.620 -23.095 1.00 12.12 C ATOM 303 NH1 ARG A 18 -5.499 20.515 -24.026 1.00 12.21 N ATOM 304 NH2 ARG A 18 -6.420 21.648 -22.256 1.00 35.25 N ATOM 0 H ARG A 18 -9.079 14.957 -22.113 1.00 74.22 H new ATOM 0 HA ARG A 18 -9.030 14.512 -24.962 1.00 42.10 H new ATOM 0 HB2 ARG A 18 -8.263 16.829 -25.482 1.00 13.14 H new ATOM 0 HB3 ARG A 18 -9.953 16.746 -25.023 1.00 13.14 H new ATOM 0 HG2 ARG A 18 -9.576 18.309 -23.463 1.00 33.13 H new ATOM 0 HG3 ARG A 18 -8.545 17.180 -22.606 1.00 33.13 H new ATOM 0 HD2 ARG A 18 -6.578 17.942 -23.792 1.00 4.15 H new ATOM 0 HD3 ARG A 18 -7.541 18.875 -24.920 1.00 4.15 H new ATOM 0 HE ARG A 18 -8.098 19.812 -22.275 1.00 33.43 H new ATOM 0 HH11 ARG A 18 -5.509 19.727 -24.673 1.00 12.21 H new ATOM 0 HH12 ARG A 18 -4.767 21.222 -24.095 1.00 12.21 H new ATOM 0 HH21 ARG A 18 -7.140 21.733 -21.539 1.00 35.25 H new ATOM 0 HH22 ARG A 18 -5.687 22.353 -22.328 1.00 35.25 H new ATOM 318 N GLY A 19 -7.011 14.139 -22.826 1.00 75.01 N ATOM 319 CA GLY A 19 -5.646 13.844 -22.432 1.00 35.34 C ATOM 320 C GLY A 19 -4.811 15.096 -22.252 1.00 32.34 C ATOM 321 O GLY A 19 -5.327 16.211 -22.327 1.00 41.13 O ATOM 0 H GLY A 19 -7.728 13.674 -22.269 1.00 75.01 H new ATOM 0 HA2 GLY A 19 -5.654 13.279 -21.500 1.00 35.34 H new ATOM 0 HA3 GLY A 19 -5.183 13.208 -23.186 1.00 35.34 H new ATOM 325 N VAL A 20 -3.517 14.912 -22.011 1.00 1.32 N ATOM 326 CA VAL A 20 -2.608 16.036 -21.819 1.00 12.23 C ATOM 327 C VAL A 20 -2.006 16.489 -23.144 1.00 71.11 C ATOM 328 O VAL A 20 -2.252 17.598 -23.620 1.00 22.44 O ATOM 329 CB VAL A 20 -1.469 15.677 -20.846 1.00 12.21 C ATOM 330 CG1 VAL A 20 -0.247 16.542 -21.112 1.00 41.41 C ATOM 331 CG2 VAL A 20 -1.934 15.825 -19.405 1.00 24.21 C ATOM 0 H VAL A 20 -3.074 13.995 -21.944 1.00 1.32 H new ATOM 0 HA VAL A 20 -3.196 16.849 -21.394 1.00 12.23 H new ATOM 0 HB VAL A 20 -1.190 14.636 -21.009 1.00 12.21 H new ATOM 0 HG11 VAL A 20 0.547 16.274 -20.415 1.00 41.41 H new ATOM 0 HG12 VAL A 20 0.097 16.381 -22.134 1.00 41.41 H new ATOM 0 HG13 VAL A 20 -0.508 17.592 -20.978 1.00 41.41 H new ATOM 0 HG21 VAL A 20 -1.117 15.567 -18.731 1.00 24.21 H new ATOM 0 HG22 VAL A 20 -2.241 16.855 -19.226 1.00 24.21 H new ATOM 0 HG23 VAL A 20 -2.777 15.158 -19.224 1.00 24.21 H new ATOM 341 N PRO A 21 -1.198 15.611 -23.757 1.00 42.41 N ATOM 342 CA PRO A 21 -0.544 15.898 -25.037 1.00 51.05 C ATOM 343 C PRO A 21 -1.534 15.945 -26.196 1.00 71.32 C ATOM 344 O PRO A 21 -1.481 16.844 -27.034 1.00 71.22 O ATOM 345 CB PRO A 21 0.426 14.727 -25.210 1.00 64.02 C ATOM 346 CG PRO A 21 -0.172 13.619 -24.414 1.00 64.22 C ATOM 347 CD PRO A 21 -0.860 14.272 -23.248 1.00 33.43 C ATOM 0 HA PRO A 21 -0.060 16.874 -25.037 1.00 51.05 H new ATOM 0 HB2 PRO A 21 0.529 14.450 -26.259 1.00 64.02 H new ATOM 0 HB3 PRO A 21 1.422 14.981 -24.848 1.00 64.02 H new ATOM 0 HG2 PRO A 21 -0.879 13.045 -25.013 1.00 64.22 H new ATOM 0 HG3 PRO A 21 0.596 12.924 -24.075 1.00 64.22 H new ATOM 0 HD2 PRO A 21 -1.750 13.720 -22.947 1.00 33.43 H new ATOM 0 HD3 PRO A 21 -0.208 14.326 -22.376 1.00 33.43 H new ATOM 355 N ASN A 22 -2.437 14.970 -26.237 1.00 10.23 N ATOM 356 CA ASN A 22 -3.440 14.901 -27.294 1.00 23.35 C ATOM 357 C ASN A 22 -2.870 15.400 -28.618 1.00 23.32 C ATOM 358 O ASN A 22 -3.040 16.563 -28.980 1.00 2.01 O ATOM 359 CB ASN A 22 -4.671 15.725 -26.912 1.00 43.33 C ATOM 360 CG ASN A 22 -4.311 16.974 -26.131 1.00 3.21 C ATOM 361 OD1 ASN A 22 -4.359 16.986 -24.901 1.00 32.21 O ATOM 362 ND2 ASN A 22 -3.947 18.034 -26.844 1.00 73.21 N ATOM 0 H ASN A 22 -2.495 14.217 -25.551 1.00 10.23 H new ATOM 0 HA ASN A 22 -3.733 13.858 -27.415 1.00 23.35 H new ATOM 0 HB2 ASN A 22 -5.210 16.008 -27.816 1.00 43.33 H new ATOM 0 HB3 ASN A 22 -5.346 15.110 -26.317 1.00 43.33 H new ATOM 0 HD21 ASN A 22 -3.693 18.903 -26.373 1.00 73.21 H new ATOM 0 HD22 ASN A 22 -3.921 17.979 -27.862 1.00 73.21 H new ATOM 369 N GLY A 23 -2.192 14.510 -29.337 1.00 72.03 N ATOM 370 CA GLY A 23 -1.608 14.878 -30.614 1.00 2.35 C ATOM 371 C GLY A 23 -1.697 13.762 -31.636 1.00 2.44 C ATOM 372 O GLY A 23 -2.744 13.132 -31.786 1.00 42.13 O ATOM 0 H GLY A 23 -2.037 13.541 -29.058 1.00 72.03 H new ATOM 0 HA2 GLY A 23 -2.115 15.762 -31.001 1.00 2.35 H new ATOM 0 HA3 GLY A 23 -0.563 15.149 -30.467 1.00 2.35 H new ATOM 376 N ILE A 24 -0.597 13.519 -32.340 1.00 71.43 N ATOM 377 CA ILE A 24 -0.556 12.472 -33.354 1.00 31.34 C ATOM 378 C ILE A 24 -0.458 11.091 -32.714 1.00 25.01 C ATOM 379 O ILE A 24 -1.250 10.192 -32.994 1.00 33.41 O ATOM 380 CB ILE A 24 0.631 12.665 -34.316 1.00 11.45 C ATOM 381 CG1 ILE A 24 1.088 14.125 -34.308 1.00 43.44 C ATOM 382 CG2 ILE A 24 0.249 12.231 -35.723 1.00 13.23 C ATOM 383 CD1 ILE A 24 -0.009 15.104 -34.665 1.00 44.02 C ATOM 0 H ILE A 24 0.277 14.032 -32.227 1.00 71.43 H new ATOM 0 HA ILE A 24 -1.485 12.543 -33.919 1.00 31.34 H new ATOM 0 HB ILE A 24 1.459 12.042 -33.978 1.00 11.45 H new ATOM 0 HG12 ILE A 24 1.475 14.371 -33.319 1.00 43.44 H new ATOM 0 HG13 ILE A 24 1.912 14.243 -35.011 1.00 43.44 H new ATOM 0 HG21 ILE A 24 1.098 12.374 -36.391 1.00 13.23 H new ATOM 0 HG22 ILE A 24 -0.034 11.178 -35.715 1.00 13.23 H new ATOM 0 HG23 ILE A 24 -0.592 12.830 -36.073 1.00 13.23 H new ATOM 0 HD11 ILE A 24 0.387 16.119 -34.639 1.00 44.02 H new ATOM 0 HD12 ILE A 24 -0.381 14.885 -35.666 1.00 44.02 H new ATOM 0 HD13 ILE A 24 -0.824 15.014 -33.947 1.00 44.02 H new ATOM 395 N PRO A 25 0.538 10.917 -31.832 1.00 11.43 N ATOM 396 CA PRO A 25 0.763 9.649 -31.131 1.00 53.44 C ATOM 397 C PRO A 25 -0.328 9.351 -30.108 1.00 43.01 C ATOM 398 O PRO A 25 -0.337 8.287 -29.489 1.00 40.42 O ATOM 399 CB PRO A 25 2.108 9.864 -30.433 1.00 34.34 C ATOM 400 CG PRO A 25 2.215 11.340 -30.262 1.00 34.25 C ATOM 401 CD PRO A 25 1.520 11.946 -31.450 1.00 21.33 C ATOM 0 HA PRO A 25 0.753 8.798 -31.812 1.00 53.44 H new ATOM 0 HB2 PRO A 25 2.142 9.351 -29.472 1.00 34.34 H new ATOM 0 HB3 PRO A 25 2.931 9.474 -31.032 1.00 34.34 H new ATOM 0 HG2 PRO A 25 1.747 11.660 -29.331 1.00 34.25 H new ATOM 0 HG3 PRO A 25 3.258 11.653 -30.218 1.00 34.25 H new ATOM 0 HD2 PRO A 25 1.036 12.889 -31.195 1.00 21.33 H new ATOM 0 HD3 PRO A 25 2.218 12.156 -32.260 1.00 21.33 H new ATOM 409 N ALA A 26 -1.246 10.297 -29.935 1.00 65.45 N ATOM 410 CA ALA A 26 -2.342 10.133 -28.989 1.00 1.41 C ATOM 411 C ALA A 26 -3.194 8.919 -29.340 1.00 71.42 C ATOM 412 O ALA A 26 -3.562 8.134 -28.466 1.00 53.43 O ATOM 413 CB ALA A 26 -3.200 11.390 -28.953 1.00 25.41 C ATOM 0 H ALA A 26 -1.252 11.184 -30.438 1.00 65.45 H new ATOM 0 HA ALA A 26 -1.914 9.969 -28.000 1.00 1.41 H new ATOM 0 HB1 ALA A 26 -4.015 11.254 -28.242 1.00 25.41 H new ATOM 0 HB2 ALA A 26 -2.589 12.239 -28.646 1.00 25.41 H new ATOM 0 HB3 ALA A 26 -3.611 11.578 -29.945 1.00 25.41 H new ATOM 419 N GLU A 27 -3.504 8.770 -30.624 1.00 53.33 N ATOM 420 CA GLU A 27 -4.315 7.651 -31.089 1.00 70.03 C ATOM 421 C GLU A 27 -3.497 6.363 -31.120 1.00 74.14 C ATOM 422 O GLU A 27 -3.976 5.302 -30.719 1.00 64.34 O ATOM 423 CB GLU A 27 -4.878 7.944 -32.481 1.00 54.14 C ATOM 424 CG GLU A 27 -3.934 8.743 -33.364 1.00 54.12 C ATOM 425 CD GLU A 27 -4.075 8.395 -34.833 1.00 40.44 C ATOM 426 OE1 GLU A 27 -5.220 8.189 -35.287 1.00 34.04 O ATOM 427 OE2 GLU A 27 -3.041 8.329 -35.530 1.00 4.43 O ATOM 0 H GLU A 27 -3.206 9.410 -31.360 1.00 53.33 H new ATOM 0 HA GLU A 27 -5.142 7.520 -30.391 1.00 70.03 H new ATOM 0 HB2 GLU A 27 -5.113 7.001 -32.975 1.00 54.14 H new ATOM 0 HB3 GLU A 27 -5.815 8.491 -32.377 1.00 54.14 H new ATOM 0 HG2 GLU A 27 -4.127 9.807 -33.226 1.00 54.12 H new ATOM 0 HG3 GLU A 27 -2.907 8.562 -33.048 1.00 54.12 H new ATOM 434 N ASP A 28 -2.263 6.465 -31.600 1.00 23.52 N ATOM 435 CA ASP A 28 -1.377 5.309 -31.683 1.00 74.33 C ATOM 436 C ASP A 28 -1.045 4.777 -30.293 1.00 32.14 C ATOM 437 O ASP A 28 -0.802 3.583 -30.115 1.00 51.34 O ATOM 438 CB ASP A 28 -0.090 5.678 -32.423 1.00 33.43 C ATOM 439 CG ASP A 28 -0.352 6.520 -33.655 1.00 51.35 C ATOM 440 OD1 ASP A 28 -0.531 7.748 -33.509 1.00 24.23 O ATOM 441 OD2 ASP A 28 -0.378 5.953 -34.767 1.00 64.52 O ATOM 0 H ASP A 28 -1.853 7.336 -31.938 1.00 23.52 H new ATOM 0 HA ASP A 28 -1.894 4.526 -32.237 1.00 74.33 H new ATOM 0 HB2 ASP A 28 0.570 6.223 -31.748 1.00 33.43 H new ATOM 0 HB3 ASP A 28 0.433 4.767 -32.714 1.00 33.43 H new ATOM 446 N SER A 29 -1.036 5.671 -29.309 1.00 42.23 N ATOM 447 CA SER A 29 -0.729 5.293 -27.935 1.00 25.00 C ATOM 448 C SER A 29 -1.917 4.589 -27.287 1.00 24.42 C ATOM 449 O SER A 29 -1.755 3.578 -26.603 1.00 44.51 O ATOM 450 CB SER A 29 -0.345 6.528 -27.117 1.00 72.13 C ATOM 451 OG SER A 29 0.888 7.069 -27.559 1.00 13.41 O ATOM 0 H SER A 29 -1.238 6.662 -29.438 1.00 42.23 H new ATOM 0 HA SER A 29 0.114 4.602 -27.954 1.00 25.00 H new ATOM 0 HB2 SER A 29 -1.128 7.282 -27.202 1.00 72.13 H new ATOM 0 HB3 SER A 29 -0.272 6.261 -26.063 1.00 72.13 H new ATOM 0 HG SER A 29 0.722 7.725 -28.268 1.00 13.41 H new ATOM 457 N GLU A 30 -3.110 5.130 -27.508 1.00 13.53 N ATOM 458 CA GLU A 30 -4.326 4.555 -26.944 1.00 62.34 C ATOM 459 C GLU A 30 -4.522 3.120 -27.426 1.00 53.25 C ATOM 460 O GLU A 30 -5.091 2.290 -26.718 1.00 65.42 O ATOM 461 CB GLU A 30 -5.542 5.403 -27.324 1.00 24.24 C ATOM 462 CG GLU A 30 -6.320 5.921 -26.126 1.00 22.22 C ATOM 463 CD GLU A 30 -7.745 5.403 -26.088 1.00 3.43 C ATOM 464 OE1 GLU A 30 -8.485 5.635 -27.066 1.00 74.34 O ATOM 465 OE2 GLU A 30 -8.119 4.768 -25.080 1.00 51.02 O ATOM 0 H GLU A 30 -3.261 5.965 -28.073 1.00 13.53 H new ATOM 0 HA GLU A 30 -4.224 4.546 -25.859 1.00 62.34 H new ATOM 0 HB2 GLU A 30 -5.211 6.250 -27.925 1.00 24.24 H new ATOM 0 HB3 GLU A 30 -6.208 4.809 -27.950 1.00 24.24 H new ATOM 0 HG2 GLU A 30 -5.807 5.629 -25.210 1.00 22.22 H new ATOM 0 HG3 GLU A 30 -6.334 7.011 -26.150 1.00 22.22 H new ATOM 472 N GLN A 31 -4.048 2.838 -28.636 1.00 15.51 N ATOM 473 CA GLN A 31 -4.173 1.505 -29.213 1.00 52.31 C ATOM 474 C GLN A 31 -3.624 0.447 -28.263 1.00 24.15 C ATOM 475 O GLN A 31 -4.227 -0.611 -28.078 1.00 54.12 O ATOM 476 CB GLN A 31 -3.438 1.436 -30.553 1.00 31.22 C ATOM 477 CG GLN A 31 -3.806 0.219 -31.386 1.00 63.30 C ATOM 478 CD GLN A 31 -3.045 0.157 -32.696 1.00 31.20 C ATOM 479 OE1 GLN A 31 -1.814 0.123 -32.712 1.00 13.45 O ATOM 480 NE2 GLN A 31 -3.776 0.141 -33.805 1.00 4.12 N ATOM 0 H GLN A 31 -3.574 3.514 -29.235 1.00 15.51 H new ATOM 0 HA GLN A 31 -5.232 1.305 -29.377 1.00 52.31 H new ATOM 0 HB2 GLN A 31 -3.657 2.337 -31.125 1.00 31.22 H new ATOM 0 HB3 GLN A 31 -2.364 1.429 -30.369 1.00 31.22 H new ATOM 0 HG2 GLN A 31 -3.605 -0.685 -30.810 1.00 63.30 H new ATOM 0 HG3 GLN A 31 -4.876 0.235 -31.592 1.00 63.30 H new ATOM 0 HE21 GLN A 31 -4.794 0.171 -33.745 1.00 4.12 H new ATOM 0 HE22 GLN A 31 -3.319 0.099 -34.716 1.00 4.12 H new ATOM 489 N LEU A 32 -2.475 0.738 -27.661 1.00 73.14 N ATOM 490 CA LEU A 32 -1.843 -0.189 -26.729 1.00 73.32 C ATOM 491 C LEU A 32 -2.340 0.046 -25.306 1.00 72.13 C ATOM 492 O LEU A 32 -2.403 -0.881 -24.499 1.00 51.12 O ATOM 493 CB LEU A 32 -0.322 -0.038 -26.782 1.00 20.43 C ATOM 494 CG LEU A 32 0.373 -0.663 -27.992 1.00 40.33 C ATOM 495 CD1 LEU A 32 0.020 -2.137 -28.108 1.00 64.54 C ATOM 496 CD2 LEU A 32 -0.005 0.080 -29.266 1.00 22.23 C ATOM 0 H LEU A 32 -1.963 1.609 -27.802 1.00 73.14 H new ATOM 0 HA LEU A 32 -2.112 -1.203 -27.025 1.00 73.32 H new ATOM 0 HB2 LEU A 32 -0.082 1.025 -26.759 1.00 20.43 H new ATOM 0 HB3 LEU A 32 0.099 -0.480 -25.879 1.00 20.43 H new ATOM 0 HG LEU A 32 1.451 -0.579 -27.852 1.00 40.33 H new ATOM 0 HD11 LEU A 32 0.524 -2.565 -28.975 1.00 64.54 H new ATOM 0 HD12 LEU A 32 0.341 -2.660 -27.207 1.00 64.54 H new ATOM 0 HD13 LEU A 32 -1.058 -2.245 -28.225 1.00 64.54 H new ATOM 0 HD21 LEU A 32 0.499 -0.378 -30.117 1.00 22.23 H new ATOM 0 HD22 LEU A 32 -1.084 0.027 -29.411 1.00 22.23 H new ATOM 0 HD23 LEU A 32 0.300 1.123 -29.183 1.00 22.23 H new ATOM 508 N ALA A 33 -2.694 1.291 -25.007 1.00 10.41 N ATOM 509 CA ALA A 33 -3.190 1.648 -23.683 1.00 64.52 C ATOM 510 C ALA A 33 -4.515 0.953 -23.388 1.00 41.31 C ATOM 511 O ALA A 33 -4.716 0.415 -22.300 1.00 25.34 O ATOM 512 CB ALA A 33 -3.344 3.157 -23.566 1.00 74.40 C ATOM 0 H ALA A 33 -2.647 2.070 -25.664 1.00 10.41 H new ATOM 0 HA ALA A 33 -2.461 1.311 -22.946 1.00 64.52 H new ATOM 0 HB1 ALA A 33 -3.715 3.409 -22.573 1.00 74.40 H new ATOM 0 HB2 ALA A 33 -2.377 3.635 -23.724 1.00 74.40 H new ATOM 0 HB3 ALA A 33 -4.050 3.510 -24.317 1.00 74.40 H new ATOM 518 N SER A 34 -5.417 0.971 -24.364 1.00 61.53 N ATOM 519 CA SER A 34 -6.725 0.346 -24.207 1.00 53.41 C ATOM 520 C SER A 34 -6.586 -1.151 -23.950 1.00 4.00 C ATOM 521 O SER A 34 -7.232 -1.703 -23.061 1.00 15.43 O ATOM 522 CB SER A 34 -7.580 0.584 -25.453 1.00 72.34 C ATOM 523 OG SER A 34 -7.543 1.945 -25.845 1.00 53.04 O ATOM 0 H SER A 34 -5.266 1.411 -25.272 1.00 61.53 H new ATOM 0 HA SER A 34 -7.215 0.800 -23.346 1.00 53.41 H new ATOM 0 HB2 SER A 34 -7.221 -0.043 -26.269 1.00 72.34 H new ATOM 0 HB3 SER A 34 -8.610 0.288 -25.253 1.00 72.34 H new ATOM 0 HG SER A 34 -6.836 2.074 -26.511 1.00 53.04 H new ATOM 529 N GLY A 35 -5.735 -1.803 -24.737 1.00 21.44 N ATOM 530 CA GLY A 35 -5.525 -3.231 -24.579 1.00 43.34 C ATOM 531 C GLY A 35 -4.701 -3.564 -23.352 1.00 4.45 C ATOM 532 O GLY A 35 -4.788 -4.670 -22.819 1.00 55.32 O ATOM 0 H GLY A 35 -5.188 -1.369 -25.480 1.00 21.44 H new ATOM 0 HA2 GLY A 35 -6.491 -3.732 -24.511 1.00 43.34 H new ATOM 0 HA3 GLY A 35 -5.025 -3.622 -25.465 1.00 43.34 H new ATOM 536 N GLN A 36 -3.897 -2.605 -22.902 1.00 61.14 N ATOM 537 CA GLN A 36 -3.052 -2.804 -21.731 1.00 1.11 C ATOM 538 C GLN A 36 -3.862 -2.665 -20.446 1.00 24.31 C ATOM 539 O GLN A 36 -3.494 -3.215 -19.408 1.00 74.11 O ATOM 540 CB GLN A 36 -1.898 -1.800 -21.732 1.00 12.44 C ATOM 541 CG GLN A 36 -0.712 -2.236 -22.576 1.00 60.21 C ATOM 542 CD GLN A 36 0.503 -2.584 -21.740 1.00 24.35 C ATOM 543 OE1 GLN A 36 1.050 -3.683 -21.845 1.00 12.33 O ATOM 544 NE2 GLN A 36 0.934 -1.648 -20.902 1.00 71.00 N ATOM 0 H GLN A 36 -3.814 -1.683 -23.331 1.00 61.14 H new ATOM 0 HA GLN A 36 -2.645 -3.814 -21.775 1.00 1.11 H new ATOM 0 HB2 GLN A 36 -2.262 -0.841 -22.100 1.00 12.44 H new ATOM 0 HB3 GLN A 36 -1.565 -1.642 -20.706 1.00 12.44 H new ATOM 0 HG2 GLN A 36 -0.996 -3.101 -23.175 1.00 60.21 H new ATOM 0 HG3 GLN A 36 -0.453 -1.438 -23.272 1.00 60.21 H new ATOM 0 HE21 GLN A 36 0.451 -0.751 -20.847 1.00 71.00 H new ATOM 0 HE22 GLN A 36 1.748 -1.826 -20.314 1.00 71.00 H new ATOM 553 N GLU A 37 -4.964 -1.927 -20.524 1.00 12.23 N ATOM 554 CA GLU A 37 -5.825 -1.716 -19.365 1.00 44.45 C ATOM 555 C GLU A 37 -6.317 -3.046 -18.803 1.00 64.23 C ATOM 556 O GLU A 37 -6.746 -3.125 -17.653 1.00 32.22 O ATOM 557 CB GLU A 37 -7.019 -0.836 -19.743 1.00 24.22 C ATOM 558 CG GLU A 37 -6.666 0.633 -19.901 1.00 13.41 C ATOM 559 CD GLU A 37 -7.542 1.337 -20.920 1.00 20.15 C ATOM 560 OE1 GLU A 37 -8.694 0.897 -21.117 1.00 44.04 O ATOM 561 OE2 GLU A 37 -7.075 2.328 -21.519 1.00 3.24 O ATOM 0 H GLU A 37 -5.282 -1.465 -21.376 1.00 12.23 H new ATOM 0 HA GLU A 37 -5.239 -1.212 -18.596 1.00 44.45 H new ATOM 0 HB2 GLU A 37 -7.447 -1.201 -20.677 1.00 24.22 H new ATOM 0 HB3 GLU A 37 -7.790 -0.936 -18.979 1.00 24.22 H new ATOM 0 HG2 GLU A 37 -6.764 1.132 -18.937 1.00 13.41 H new ATOM 0 HG3 GLU A 37 -5.622 0.722 -20.202 1.00 13.41 H new ATOM 568 N ALA A 38 -6.251 -4.089 -19.624 1.00 63.22 N ATOM 569 CA ALA A 38 -6.688 -5.417 -19.210 1.00 4.44 C ATOM 570 C ALA A 38 -5.945 -5.873 -17.958 1.00 54.30 C ATOM 571 O ALA A 38 -6.363 -6.814 -17.285 1.00 52.00 O ATOM 572 CB ALA A 38 -6.485 -6.416 -20.339 1.00 52.41 C ATOM 0 H ALA A 38 -5.899 -4.040 -20.580 1.00 63.22 H new ATOM 0 HA ALA A 38 -7.751 -5.365 -18.973 1.00 4.44 H new ATOM 0 HB1 ALA A 38 -6.816 -7.403 -20.015 1.00 52.41 H new ATOM 0 HB2 ALA A 38 -7.065 -6.106 -21.208 1.00 52.41 H new ATOM 0 HB3 ALA A 38 -5.428 -6.456 -20.604 1.00 52.41 H new ATOM 578 N GLY A 39 -4.841 -5.199 -17.652 1.00 4.11 N ATOM 579 CA GLY A 39 -4.057 -5.551 -16.482 1.00 14.31 C ATOM 580 C GLY A 39 -4.921 -6.005 -15.322 1.00 5.15 C ATOM 581 O GLY A 39 -5.558 -5.188 -14.656 1.00 63.31 O ATOM 0 H GLY A 39 -4.475 -4.416 -18.193 1.00 4.11 H new ATOM 0 HA2 GLY A 39 -3.357 -6.345 -16.743 1.00 14.31 H new ATOM 0 HA3 GLY A 39 -3.463 -4.691 -16.174 1.00 14.31 H new ATOM 585 N ASP A 40 -4.943 -7.311 -15.079 1.00 12.21 N ATOM 586 CA ASP A 40 -5.735 -7.873 -13.991 1.00 54.31 C ATOM 587 C ASP A 40 -5.298 -7.298 -12.647 1.00 60.33 C ATOM 588 O ASP A 40 -6.110 -6.821 -11.854 1.00 71.34 O ATOM 589 CB ASP A 40 -5.609 -9.397 -13.974 1.00 5.21 C ATOM 590 CG ASP A 40 -6.929 -10.091 -14.247 1.00 4.23 C ATOM 591 OD1 ASP A 40 -7.974 -9.570 -13.806 1.00 13.00 O ATOM 592 OD2 ASP A 40 -6.916 -11.155 -14.900 1.00 62.21 O ATOM 0 H ASP A 40 -4.422 -8.000 -15.621 1.00 12.21 H new ATOM 0 HA ASP A 40 -6.778 -7.605 -14.158 1.00 54.31 H new ATOM 0 HB2 ASP A 40 -4.878 -9.706 -14.721 1.00 5.21 H new ATOM 0 HB3 ASP A 40 -5.228 -9.716 -13.004 1.00 5.21 H new ATOM 597 N PRO A 41 -3.984 -7.345 -12.383 1.00 42.10 N ATOM 598 CA PRO A 41 -3.409 -6.834 -11.135 1.00 63.12 C ATOM 599 C PRO A 41 -3.472 -5.313 -11.048 1.00 21.03 C ATOM 600 O PRO A 41 -3.747 -4.636 -12.037 1.00 52.40 O ATOM 601 CB PRO A 41 -1.954 -7.306 -11.196 1.00 22.23 C ATOM 602 CG PRO A 41 -1.666 -7.462 -12.649 1.00 52.21 C ATOM 603 CD PRO A 41 -2.958 -7.899 -13.282 1.00 70.43 C ATOM 0 HA PRO A 41 -3.951 -7.191 -10.260 1.00 63.12 H new ATOM 0 HB2 PRO A 41 -1.283 -6.581 -10.735 1.00 22.23 H new ATOM 0 HB3 PRO A 41 -1.821 -8.247 -10.663 1.00 22.23 H new ATOM 0 HG2 PRO A 41 -1.318 -6.524 -13.081 1.00 52.21 H new ATOM 0 HG3 PRO A 41 -0.881 -8.200 -12.814 1.00 52.21 H new ATOM 0 HD2 PRO A 41 -3.060 -7.511 -14.295 1.00 70.43 H new ATOM 0 HD3 PRO A 41 -3.026 -8.985 -13.348 1.00 70.43 H new ATOM 611 N GLY A 42 -3.214 -4.782 -9.856 1.00 54.12 N ATOM 612 CA GLY A 42 -3.247 -3.344 -9.662 1.00 70.13 C ATOM 613 C GLY A 42 -1.924 -2.684 -9.996 1.00 51.25 C ATOM 614 O GLY A 42 -1.892 -1.547 -10.469 1.00 50.12 O ATOM 0 H GLY A 42 -2.983 -5.322 -9.022 1.00 54.12 H new ATOM 0 HA2 GLY A 42 -4.031 -2.914 -10.285 1.00 70.13 H new ATOM 0 HA3 GLY A 42 -3.507 -3.126 -8.626 1.00 70.13 H new ATOM 618 N CYS A 43 -0.830 -3.396 -9.750 1.00 14.05 N ATOM 619 CA CYS A 43 0.502 -2.871 -10.025 1.00 43.02 C ATOM 620 C CYS A 43 0.654 -2.521 -11.502 1.00 21.01 C ATOM 621 O CYS A 43 1.551 -1.768 -11.884 1.00 22.24 O ATOM 622 CB CYS A 43 1.568 -3.889 -9.618 1.00 4.14 C ATOM 623 SG CYS A 43 1.366 -5.515 -10.381 1.00 64.41 S ATOM 0 H CYS A 43 -0.839 -4.339 -9.360 1.00 14.05 H new ATOM 0 HA CYS A 43 0.635 -1.962 -9.439 1.00 43.02 H new ATOM 0 HB2 CYS A 43 2.550 -3.496 -9.881 1.00 4.14 H new ATOM 0 HB3 CYS A 43 1.551 -4.004 -8.534 1.00 4.14 H new ATOM 0 HG CYS A 43 2.316 -6.305 -9.977 1.00 64.41 H new ATOM 629 N LEU A 44 -0.227 -3.073 -12.329 1.00 21.22 N ATOM 630 CA LEU A 44 -0.190 -2.821 -13.765 1.00 54.12 C ATOM 631 C LEU A 44 -1.042 -1.608 -14.127 1.00 30.31 C ATOM 632 O LEU A 44 -0.918 -1.052 -15.218 1.00 5.51 O ATOM 633 CB LEU A 44 -0.682 -4.050 -14.531 1.00 63.44 C ATOM 634 CG LEU A 44 0.396 -4.883 -15.227 1.00 1.40 C ATOM 635 CD1 LEU A 44 1.216 -4.014 -16.168 1.00 64.43 C ATOM 636 CD2 LEU A 44 1.295 -5.556 -14.200 1.00 70.45 C ATOM 0 H LEU A 44 -0.976 -3.698 -12.030 1.00 21.22 H new ATOM 0 HA LEU A 44 0.843 -2.614 -14.046 1.00 54.12 H new ATOM 0 HB2 LEU A 44 -1.219 -4.695 -13.836 1.00 63.44 H new ATOM 0 HB3 LEU A 44 -1.401 -3.722 -15.282 1.00 63.44 H new ATOM 0 HG LEU A 44 -0.094 -5.659 -15.816 1.00 1.40 H new ATOM 0 HD11 LEU A 44 1.978 -4.623 -16.654 1.00 64.43 H new ATOM 0 HD12 LEU A 44 0.562 -3.579 -16.924 1.00 64.43 H new ATOM 0 HD13 LEU A 44 1.696 -3.217 -15.601 1.00 64.43 H new ATOM 0 HD21 LEU A 44 2.056 -6.144 -14.713 1.00 70.45 H new ATOM 0 HD22 LEU A 44 1.777 -4.796 -13.585 1.00 70.45 H new ATOM 0 HD23 LEU A 44 0.697 -6.210 -13.566 1.00 70.45 H new ATOM 648 N LYS A 45 -1.907 -1.202 -13.203 1.00 64.32 N ATOM 649 CA LYS A 45 -2.777 -0.053 -13.422 1.00 32.31 C ATOM 650 C LYS A 45 -1.959 1.207 -13.686 1.00 72.34 C ATOM 651 O LYS A 45 -2.274 2.007 -14.567 1.00 73.25 O ATOM 652 CB LYS A 45 -3.687 0.161 -12.210 1.00 3.40 C ATOM 653 CG LYS A 45 -5.140 0.409 -12.576 1.00 43.53 C ATOM 654 CD LYS A 45 -6.085 -0.209 -11.559 1.00 45.43 C ATOM 655 CE LYS A 45 -6.371 0.748 -10.412 1.00 35.21 C ATOM 656 NZ LYS A 45 -7.829 1.016 -10.264 1.00 61.35 N ATOM 0 H LYS A 45 -2.024 -1.652 -12.295 1.00 64.32 H new ATOM 0 HA LYS A 45 -3.391 -0.256 -14.299 1.00 32.31 H new ATOM 0 HB2 LYS A 45 -3.628 -0.714 -11.563 1.00 3.40 H new ATOM 0 HB3 LYS A 45 -3.317 1.009 -11.633 1.00 3.40 H new ATOM 0 HG2 LYS A 45 -5.322 1.482 -12.638 1.00 43.53 H new ATOM 0 HG3 LYS A 45 -5.344 -0.007 -13.563 1.00 43.53 H new ATOM 0 HD2 LYS A 45 -7.020 -0.482 -12.048 1.00 45.43 H new ATOM 0 HD3 LYS A 45 -5.650 -1.128 -11.167 1.00 45.43 H new ATOM 0 HE2 LYS A 45 -5.983 0.329 -9.484 1.00 35.21 H new ATOM 0 HE3 LYS A 45 -5.845 1.687 -10.583 1.00 35.21 H new ATOM 0 HZ1 LYS A 45 -7.978 2.025 -10.061 1.00 61.35 H new ATOM 0 HZ2 LYS A 45 -8.320 0.764 -11.146 1.00 61.35 H new ATOM 0 HZ3 LYS A 45 -8.209 0.446 -9.482 1.00 61.35 H new ATOM 670 N PRO A 46 -0.882 1.388 -12.908 1.00 13.54 N ATOM 671 CA PRO A 46 0.004 2.548 -13.041 1.00 1.43 C ATOM 672 C PRO A 46 0.820 2.510 -14.328 1.00 62.32 C ATOM 673 O PRO A 46 1.468 3.491 -14.695 1.00 10.24 O ATOM 674 CB PRO A 46 0.923 2.435 -11.822 1.00 32.53 C ATOM 675 CG PRO A 46 0.923 0.984 -11.481 1.00 54.14 C ATOM 676 CD PRO A 46 -0.447 0.475 -11.838 1.00 1.44 C ATOM 0 HA PRO A 46 -0.554 3.483 -13.086 1.00 1.43 H new ATOM 0 HB2 PRO A 46 1.929 2.788 -12.050 1.00 32.53 H new ATOM 0 HB3 PRO A 46 0.555 3.037 -10.991 1.00 32.53 H new ATOM 0 HG2 PRO A 46 1.694 0.452 -12.038 1.00 54.14 H new ATOM 0 HG3 PRO A 46 1.132 0.832 -10.422 1.00 54.14 H new ATOM 0 HD2 PRO A 46 -0.415 -0.559 -12.181 1.00 1.44 H new ATOM 0 HD3 PRO A 46 -1.123 0.507 -10.983 1.00 1.44 H new ATOM 684 N LEU A 47 0.785 1.371 -15.012 1.00 14.14 N ATOM 685 CA LEU A 47 1.521 1.205 -16.260 1.00 30.41 C ATOM 686 C LEU A 47 0.652 1.574 -17.458 1.00 4.50 C ATOM 687 O LEU A 47 1.156 2.023 -18.488 1.00 51.52 O ATOM 688 CB LEU A 47 2.012 -0.238 -16.397 1.00 54.20 C ATOM 689 CG LEU A 47 3.496 -0.471 -16.115 1.00 21.50 C ATOM 690 CD1 LEU A 47 3.720 -0.762 -14.639 1.00 73.41 C ATOM 691 CD2 LEU A 47 4.029 -1.611 -16.972 1.00 11.33 C ATOM 0 H LEU A 47 0.255 0.549 -14.723 1.00 14.14 H new ATOM 0 HA LEU A 47 2.381 1.875 -16.238 1.00 30.41 H new ATOM 0 HB2 LEU A 47 1.431 -0.864 -15.720 1.00 54.20 H new ATOM 0 HB3 LEU A 47 1.797 -0.579 -17.410 1.00 54.20 H new ATOM 0 HG LEU A 47 4.042 0.437 -16.372 1.00 21.50 H new ATOM 0 HD11 LEU A 47 4.782 -0.925 -14.457 1.00 73.41 H new ATOM 0 HD12 LEU A 47 3.376 0.085 -14.045 1.00 73.41 H new ATOM 0 HD13 LEU A 47 3.162 -1.654 -14.355 1.00 73.41 H new ATOM 0 HD21 LEU A 47 5.087 -1.763 -16.758 1.00 11.33 H new ATOM 0 HD22 LEU A 47 3.478 -2.524 -16.746 1.00 11.33 H new ATOM 0 HD23 LEU A 47 3.904 -1.363 -18.026 1.00 11.33 H new ATOM 703 N HIS A 48 -0.656 1.385 -17.315 1.00 65.23 N ATOM 704 CA HIS A 48 -1.595 1.701 -18.385 1.00 51.31 C ATOM 705 C HIS A 48 -2.034 3.161 -18.309 1.00 23.40 C ATOM 706 O HIS A 48 -2.113 3.848 -19.327 1.00 22.15 O ATOM 707 CB HIS A 48 -2.817 0.785 -18.307 1.00 65.15 C ATOM 708 CG HIS A 48 -2.491 -0.612 -17.877 1.00 63.22 C ATOM 709 ND1 HIS A 48 -1.344 -1.272 -18.267 1.00 1.55 N ATOM 710 CD2 HIS A 48 -3.168 -1.475 -17.085 1.00 35.32 C ATOM 711 CE1 HIS A 48 -1.331 -2.480 -17.734 1.00 32.33 C ATOM 712 NE2 HIS A 48 -2.427 -2.629 -17.012 1.00 11.14 N ATOM 0 H HIS A 48 -1.089 1.015 -16.469 1.00 65.23 H new ATOM 0 HA HIS A 48 -1.090 1.540 -19.337 1.00 51.31 H new ATOM 0 HB2 HIS A 48 -3.537 1.212 -17.610 1.00 65.15 H new ATOM 0 HB3 HIS A 48 -3.300 0.753 -19.284 1.00 65.15 H new ATOM 0 HD1 HIS A 48 -0.619 -0.887 -18.873 1.00 1.55 H new ATOM 0 HD2 HIS A 48 -4.115 -1.291 -16.600 1.00 35.32 H new ATOM 0 HE1 HIS A 48 -0.556 -3.220 -17.866 1.00 32.33 H new ATOM 720 N GLU A 49 -2.318 3.626 -17.096 1.00 71.35 N ATOM 721 CA GLU A 49 -2.750 5.003 -16.889 1.00 72.13 C ATOM 722 C GLU A 49 -1.781 5.982 -17.546 1.00 30.21 C ATOM 723 O GLU A 49 -2.190 7.006 -18.093 1.00 13.34 O ATOM 724 CB GLU A 49 -2.863 5.306 -15.394 1.00 31.13 C ATOM 725 CG GLU A 49 -1.684 4.801 -14.580 1.00 5.33 C ATOM 726 CD GLU A 49 -0.714 5.907 -14.210 1.00 42.04 C ATOM 727 OE1 GLU A 49 -0.387 6.729 -15.092 1.00 24.23 O ATOM 728 OE2 GLU A 49 -0.283 5.950 -13.039 1.00 45.21 O ATOM 0 H GLU A 49 -2.257 3.070 -16.243 1.00 71.35 H new ATOM 0 HA GLU A 49 -3.730 5.123 -17.352 1.00 72.13 H new ATOM 0 HB2 GLU A 49 -2.954 6.383 -15.256 1.00 31.13 H new ATOM 0 HB3 GLU A 49 -3.779 4.857 -15.009 1.00 31.13 H new ATOM 0 HG2 GLU A 49 -2.052 4.326 -13.670 1.00 5.33 H new ATOM 0 HG3 GLU A 49 -1.156 4.035 -15.148 1.00 5.33 H new ATOM 735 N LYS A 50 -0.493 5.659 -17.488 1.00 14.24 N ATOM 736 CA LYS A 50 0.536 6.508 -18.076 1.00 71.22 C ATOM 737 C LYS A 50 0.245 6.774 -19.550 1.00 15.04 C ATOM 738 O LYS A 50 0.330 7.911 -20.013 1.00 53.33 O ATOM 739 CB LYS A 50 1.911 5.854 -17.927 1.00 65.15 C ATOM 740 CG LYS A 50 2.861 6.169 -19.070 1.00 5.11 C ATOM 741 CD LYS A 50 3.146 7.659 -19.163 1.00 64.34 C ATOM 742 CE LYS A 50 3.701 8.035 -20.529 1.00 1.44 C ATOM 743 NZ LYS A 50 2.926 9.141 -21.156 1.00 41.34 N ATOM 0 H LYS A 50 -0.137 4.815 -17.039 1.00 14.24 H new ATOM 0 HA LYS A 50 0.533 7.460 -17.546 1.00 71.22 H new ATOM 0 HB2 LYS A 50 2.361 6.183 -16.990 1.00 65.15 H new ATOM 0 HB3 LYS A 50 1.785 4.774 -17.858 1.00 65.15 H new ATOM 0 HG2 LYS A 50 3.796 5.627 -18.927 1.00 5.11 H new ATOM 0 HG3 LYS A 50 2.431 5.821 -20.009 1.00 5.11 H new ATOM 0 HD2 LYS A 50 2.230 8.218 -18.975 1.00 64.34 H new ATOM 0 HD3 LYS A 50 3.858 7.944 -18.389 1.00 64.34 H new ATOM 0 HE2 LYS A 50 4.744 8.334 -20.428 1.00 1.44 H new ATOM 0 HE3 LYS A 50 3.682 7.162 -21.182 1.00 1.44 H new ATOM 0 HZ1 LYS A 50 3.042 9.104 -22.189 1.00 41.34 H new ATOM 0 HZ2 LYS A 50 1.919 9.038 -20.917 1.00 41.34 H new ATOM 0 HZ3 LYS A 50 3.275 10.054 -20.801 1.00 41.34 H new ATOM 757 N ASP A 51 -0.101 5.719 -20.280 1.00 5.24 N ATOM 758 CA ASP A 51 -0.407 5.840 -21.700 1.00 72.22 C ATOM 759 C ASP A 51 -1.806 6.413 -21.908 1.00 5.25 C ATOM 760 O ASP A 51 -2.139 6.885 -22.994 1.00 41.15 O ATOM 761 CB ASP A 51 -0.295 4.477 -22.386 1.00 5.14 C ATOM 762 CG ASP A 51 0.803 3.618 -21.789 1.00 42.12 C ATOM 763 OD1 ASP A 51 1.991 3.942 -22.000 1.00 70.53 O ATOM 764 OD2 ASP A 51 0.474 2.623 -21.111 1.00 25.14 O ATOM 0 H ASP A 51 -0.176 4.771 -19.911 1.00 5.24 H new ATOM 0 HA ASP A 51 0.316 6.523 -22.145 1.00 72.22 H new ATOM 0 HB2 ASP A 51 -1.247 3.953 -22.305 1.00 5.14 H new ATOM 0 HB3 ASP A 51 -0.101 4.623 -23.449 1.00 5.14 H new ATOM 769 N SER A 52 -2.620 6.368 -20.858 1.00 22.21 N ATOM 770 CA SER A 52 -3.984 6.878 -20.926 1.00 51.22 C ATOM 771 C SER A 52 -3.991 8.402 -20.999 1.00 41.21 C ATOM 772 O SER A 52 -4.821 8.997 -21.685 1.00 51.13 O ATOM 773 CB SER A 52 -4.787 6.411 -19.711 1.00 74.10 C ATOM 774 OG SER A 52 -6.073 7.006 -19.690 1.00 11.52 O ATOM 0 H SER A 52 -2.358 5.984 -19.950 1.00 22.21 H new ATOM 0 HA SER A 52 -4.447 6.486 -21.831 1.00 51.22 H new ATOM 0 HB2 SER A 52 -4.885 5.326 -19.732 1.00 74.10 H new ATOM 0 HB3 SER A 52 -4.250 6.665 -18.797 1.00 74.10 H new ATOM 0 HG SER A 52 -6.567 6.690 -18.905 1.00 11.52 H new ATOM 780 N GLU A 53 -3.059 9.027 -20.286 1.00 21.32 N ATOM 781 CA GLU A 53 -2.958 10.481 -20.269 1.00 0.22 C ATOM 782 C GLU A 53 -2.785 11.031 -21.682 1.00 1.23 C ATOM 783 O GLU A 53 -3.346 12.071 -22.028 1.00 33.43 O ATOM 784 CB GLU A 53 -1.785 10.923 -19.391 1.00 14.04 C ATOM 785 CG GLU A 53 -2.084 12.154 -18.551 1.00 45.14 C ATOM 786 CD GLU A 53 -1.339 12.154 -17.230 1.00 71.04 C ATOM 787 OE1 GLU A 53 -0.557 11.210 -16.991 1.00 43.32 O ATOM 788 OE2 GLU A 53 -1.539 13.096 -16.436 1.00 43.40 O ATOM 0 H GLU A 53 -2.364 8.549 -19.713 1.00 21.32 H new ATOM 0 HA GLU A 53 -3.884 10.879 -19.853 1.00 0.22 H new ATOM 0 HB2 GLU A 53 -1.507 10.102 -18.731 1.00 14.04 H new ATOM 0 HB3 GLU A 53 -0.923 11.127 -20.026 1.00 14.04 H new ATOM 0 HG2 GLU A 53 -1.816 13.048 -19.115 1.00 45.14 H new ATOM 0 HG3 GLU A 53 -3.156 12.207 -18.359 1.00 45.14 H new ATOM 795 N SER A 54 -2.003 10.326 -22.493 1.00 53.02 N ATOM 796 CA SER A 54 -1.752 10.745 -23.867 1.00 60.02 C ATOM 797 C SER A 54 -2.863 10.262 -24.794 1.00 54.42 C ATOM 798 O SER A 54 -3.225 10.941 -25.754 1.00 51.42 O ATOM 799 CB SER A 54 -0.402 10.208 -24.348 1.00 34.03 C ATOM 800 OG SER A 54 0.432 9.872 -23.253 1.00 1.54 O ATOM 0 H SER A 54 -1.532 9.462 -22.223 1.00 53.02 H new ATOM 0 HA SER A 54 -1.731 11.835 -23.890 1.00 60.02 H new ATOM 0 HB2 SER A 54 -0.559 9.329 -24.973 1.00 34.03 H new ATOM 0 HB3 SER A 54 0.091 10.957 -24.968 1.00 34.03 H new ATOM 0 HG SER A 54 1.288 9.530 -23.586 1.00 1.54 H new ATOM 806 N GLY A 55 -3.402 9.083 -24.499 1.00 22.03 N ATOM 807 CA GLY A 55 -4.466 8.528 -25.314 1.00 53.22 C ATOM 808 C GLY A 55 -5.693 9.418 -25.350 1.00 30.01 C ATOM 809 O GLY A 55 -6.570 9.245 -26.196 1.00 4.14 O ATOM 0 H GLY A 55 -3.120 8.502 -23.709 1.00 22.03 H new ATOM 0 HA2 GLY A 55 -4.100 8.377 -26.330 1.00 53.22 H new ATOM 0 HA3 GLY A 55 -4.743 7.548 -24.926 1.00 53.22 H new ATOM 813 N GLY A 56 -5.757 10.373 -24.427 1.00 43.20 N ATOM 814 CA GLY A 56 -6.890 11.278 -24.373 1.00 31.12 C ATOM 815 C GLY A 56 -7.116 12.004 -25.684 1.00 62.33 C ATOM 816 O GLY A 56 -8.239 12.391 -26.002 1.00 53.21 O ATOM 0 H GLY A 56 -5.044 10.536 -23.716 1.00 43.20 H new ATOM 0 HA2 GLY A 56 -7.787 10.716 -24.113 1.00 31.12 H new ATOM 0 HA3 GLY A 56 -6.730 12.008 -23.580 1.00 31.12 H new ATOM 820 N GLY A 57 -6.043 12.190 -26.448 1.00 55.12 N ATOM 821 CA GLY A 57 -6.151 12.876 -27.723 1.00 22.42 C ATOM 822 C GLY A 57 -7.147 12.215 -28.654 1.00 72.35 C ATOM 823 O GLY A 57 -7.962 12.889 -29.285 1.00 2.43 O ATOM 0 H GLY A 57 -5.102 11.878 -26.207 1.00 55.12 H new ATOM 0 HA2 GLY A 57 -6.450 13.910 -27.552 1.00 22.42 H new ATOM 0 HA3 GLY A 57 -5.172 12.902 -28.202 1.00 22.42 H new ATOM 827 N LYS A 58 -7.083 10.891 -28.744 1.00 64.33 N ATOM 828 CA LYS A 58 -7.985 10.137 -29.606 1.00 73.21 C ATOM 829 C LYS A 58 -9.300 9.841 -28.891 1.00 40.41 C ATOM 830 O LYS A 58 -10.332 9.635 -29.530 1.00 20.22 O ATOM 831 CB LYS A 58 -7.327 8.828 -30.048 1.00 33.43 C ATOM 832 CG LYS A 58 -8.198 7.990 -30.968 1.00 21.50 C ATOM 833 CD LYS A 58 -8.921 6.892 -30.205 1.00 41.31 C ATOM 834 CE LYS A 58 -9.631 5.933 -31.148 1.00 21.22 C ATOM 835 NZ LYS A 58 -10.997 5.589 -30.664 1.00 41.35 N ATOM 0 H LYS A 58 -6.415 10.317 -28.230 1.00 64.33 H new ATOM 0 HA LYS A 58 -8.198 10.744 -30.486 1.00 73.21 H new ATOM 0 HB2 LYS A 58 -6.390 9.056 -30.556 1.00 33.43 H new ATOM 0 HB3 LYS A 58 -7.076 8.241 -29.165 1.00 33.43 H new ATOM 0 HG2 LYS A 58 -8.927 8.631 -31.463 1.00 21.50 H new ATOM 0 HG3 LYS A 58 -7.581 7.546 -31.749 1.00 21.50 H new ATOM 0 HD2 LYS A 58 -8.206 6.341 -29.594 1.00 41.31 H new ATOM 0 HD3 LYS A 58 -9.646 7.338 -29.524 1.00 41.31 H new ATOM 0 HE2 LYS A 58 -9.699 6.382 -32.139 1.00 21.22 H new ATOM 0 HE3 LYS A 58 -9.042 5.022 -31.251 1.00 21.22 H new ATOM 0 HZ1 LYS A 58 -11.448 4.934 -31.334 1.00 41.35 H new ATOM 0 HZ2 LYS A 58 -10.931 5.138 -29.729 1.00 41.35 H new ATOM 0 HZ3 LYS A 58 -11.568 6.455 -30.590 1.00 41.35 H new ATOM 849 N ASP A 59 -9.255 9.825 -27.564 1.00 32.54 N ATOM 850 CA ASP A 59 -10.444 9.557 -26.762 1.00 4.12 C ATOM 851 C ASP A 59 -11.361 10.775 -26.728 1.00 14.14 C ATOM 852 O ASP A 59 -12.579 10.645 -26.608 1.00 22.42 O ATOM 853 CB ASP A 59 -10.046 9.162 -25.339 1.00 15.24 C ATOM 854 CG ASP A 59 -10.310 7.697 -25.049 1.00 44.45 C ATOM 855 OD1 ASP A 59 -11.355 7.183 -25.499 1.00 23.22 O ATOM 856 OD2 ASP A 59 -9.471 7.066 -24.373 1.00 63.32 O ATOM 0 H ASP A 59 -8.409 9.994 -27.020 1.00 32.54 H new ATOM 0 HA ASP A 59 -10.985 8.730 -27.222 1.00 4.12 H new ATOM 0 HB2 ASP A 59 -8.987 9.374 -25.189 1.00 15.24 H new ATOM 0 HB3 ASP A 59 -10.598 9.775 -24.627 1.00 15.24 H new ATOM 861 N GLY A 60 -10.768 11.960 -26.833 1.00 0.42 N ATOM 862 CA GLY A 60 -11.547 13.185 -26.811 1.00 20.45 C ATOM 863 C GLY A 60 -10.680 14.425 -26.895 1.00 40.13 C ATOM 864 O GLY A 60 -11.101 15.449 -27.432 1.00 53.44 O ATOM 0 H GLY A 60 -9.762 12.094 -26.933 1.00 0.42 H new ATOM 0 HA2 GLY A 60 -12.250 13.180 -27.644 1.00 20.45 H new ATOM 0 HA3 GLY A 60 -12.138 13.220 -25.896 1.00 20.45 H new