USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 451 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.24) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -5.58 K(o=-5.6,f=-3.9!) USER MOD Single : A 20 GLN : amide:sc= -2.86 K(o=-2.9,f=-5.9!) USER MOD Single : A 29 HIS : no HD1:sc= -2.6 X(o=-2.6,f=-2.8) USER MOD Single : A 31 THR OG1 : rot -38:sc= 0.69 USER MOD Single : A 42 ASN : amide:sc= -0.0238 X(o=-0.024,f=-0.18) USER MOD Single : A 46 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.052) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -3.32 K(o=-3.3,f=-5.2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 2.433 -2.395 -1.981 1.00 64.54 N ATOM 19 CA LYS A 2 3.053 -3.678 -2.292 1.00 72.24 C ATOM 20 C LYS A 2 3.695 -3.651 -3.676 1.00 5.05 C ATOM 21 O LYS A 2 3.078 -3.221 -4.650 1.00 61.02 O ATOM 22 CB LYS A 2 2.014 -4.800 -2.223 1.00 52.32 C ATOM 23 CG LYS A 2 1.244 -4.836 -0.914 1.00 52.54 C ATOM 24 CD LYS A 2 2.160 -5.121 0.264 1.00 72.32 C ATOM 25 CE LYS A 2 1.417 -5.011 1.587 1.00 62.14 C ATOM 26 NZ LYS A 2 2.158 -5.674 2.695 1.00 1.35 N ATOM 0 HA LYS A 2 3.832 -3.865 -1.553 1.00 72.24 H new ATOM 0 HB2 LYS A 2 1.309 -4.682 -3.046 1.00 52.32 H new ATOM 0 HB3 LYS A 2 2.515 -5.757 -2.367 1.00 52.32 H new ATOM 0 HG2 LYS A 2 0.740 -3.882 -0.761 1.00 52.54 H new ATOM 0 HG3 LYS A 2 0.470 -5.601 -0.967 1.00 52.54 H new ATOM 0 HD2 LYS A 2 2.582 -6.121 0.165 1.00 72.32 H new ATOM 0 HD3 LYS A 2 2.995 -4.420 0.255 1.00 72.32 H new ATOM 0 HE2 LYS A 2 1.263 -3.960 1.831 1.00 62.14 H new ATOM 0 HE3 LYS A 2 0.430 -5.463 1.488 1.00 62.14 H new ATOM 0 HZ1 LYS A 2 1.619 -5.577 3.579 1.00 1.35 H new ATOM 0 HZ2 LYS A 2 2.283 -6.683 2.474 1.00 1.35 H new ATOM 0 HZ3 LYS A 2 3.090 -5.226 2.806 1.00 1.35 H new ATOM 40 N LYS A 3 4.938 -4.114 -3.755 1.00 4.14 N ATOM 41 CA LYS A 3 5.665 -4.146 -5.019 1.00 14.44 C ATOM 42 C LYS A 3 5.971 -5.581 -5.434 1.00 53.13 C ATOM 43 O LYS A 3 6.359 -6.407 -4.610 1.00 4.15 O ATOM 44 CB LYS A 3 6.966 -3.348 -4.903 1.00 32.41 C ATOM 45 CG LYS A 3 6.758 -1.901 -4.492 1.00 32.01 C ATOM 46 CD LYS A 3 7.948 -1.366 -3.713 1.00 50.15 C ATOM 47 CE LYS A 3 7.952 -1.877 -2.281 1.00 4.11 C ATOM 48 NZ LYS A 3 9.301 -1.771 -1.658 1.00 61.24 N ATOM 0 H LYS A 3 5.464 -4.473 -2.958 1.00 4.14 H new ATOM 0 HA LYS A 3 5.035 -3.692 -5.784 1.00 14.44 H new ATOM 0 HB2 LYS A 3 7.616 -3.834 -4.175 1.00 32.41 H new ATOM 0 HB3 LYS A 3 7.485 -3.374 -5.861 1.00 32.41 H new ATOM 0 HG2 LYS A 3 6.598 -1.289 -5.380 1.00 32.01 H new ATOM 0 HG3 LYS A 3 5.857 -1.821 -3.883 1.00 32.01 H new ATOM 0 HD2 LYS A 3 8.872 -1.663 -4.209 1.00 50.15 H new ATOM 0 HD3 LYS A 3 7.923 -0.276 -3.711 1.00 50.15 H new ATOM 0 HE2 LYS A 3 7.234 -1.308 -1.690 1.00 4.11 H new ATOM 0 HE3 LYS A 3 7.625 -2.917 -2.266 1.00 4.11 H new ATOM 0 HZ1 LYS A 3 9.262 -2.129 -0.682 1.00 61.24 H new ATOM 0 HZ2 LYS A 3 9.982 -2.334 -2.207 1.00 61.24 H new ATOM 0 HZ3 LYS A 3 9.602 -0.776 -1.649 1.00 61.24 H new ATOM 62 N GLY A 4 5.794 -5.871 -6.720 1.00 0.40 N ATOM 63 CA GLY A 4 6.057 -7.206 -7.222 1.00 64.35 C ATOM 64 C GLY A 4 5.930 -7.294 -8.730 1.00 62.14 C ATOM 65 O GLY A 4 5.496 -6.343 -9.381 1.00 62.15 O ATOM 0 H GLY A 4 5.473 -5.205 -7.422 1.00 0.40 H new ATOM 0 HA2 GLY A 4 7.061 -7.511 -6.927 1.00 64.35 H new ATOM 0 HA3 GLY A 4 5.362 -7.908 -6.760 1.00 64.35 H new ATOM 69 N THR A 5 6.311 -8.439 -9.289 1.00 42.44 N ATOM 70 CA THR A 5 6.240 -8.646 -10.730 1.00 65.22 C ATOM 71 C THR A 5 4.796 -8.802 -11.193 1.00 44.41 C ATOM 72 O THR A 5 3.916 -9.151 -10.407 1.00 30.12 O ATOM 73 CB THR A 5 7.042 -9.890 -11.158 1.00 74.25 C ATOM 74 OG1 THR A 5 6.836 -10.952 -10.220 1.00 72.34 O ATOM 75 CG2 THR A 5 8.526 -9.572 -11.254 1.00 0.52 C ATOM 0 H THR A 5 6.672 -9.237 -8.765 1.00 42.44 H new ATOM 0 HA THR A 5 6.675 -7.763 -11.198 1.00 65.22 H new ATOM 0 HB THR A 5 6.690 -10.201 -12.142 1.00 74.25 H new ATOM 0 HG1 THR A 5 7.348 -11.740 -10.500 1.00 72.34 H new ATOM 0 HG21 THR A 5 9.071 -10.466 -11.558 1.00 0.52 H new ATOM 0 HG22 THR A 5 8.682 -8.784 -11.991 1.00 0.52 H new ATOM 0 HG23 THR A 5 8.890 -9.238 -10.282 1.00 0.52 H new ATOM 83 N VAL A 6 4.559 -8.540 -12.475 1.00 22.43 N ATOM 84 CA VAL A 6 3.221 -8.653 -13.043 1.00 63.20 C ATOM 85 C VAL A 6 3.028 -10.000 -13.731 1.00 44.45 C ATOM 86 O VAL A 6 3.844 -10.410 -14.558 1.00 12.23 O ATOM 87 CB VAL A 6 2.945 -7.527 -14.056 1.00 42.44 C ATOM 88 CG1 VAL A 6 3.820 -7.691 -15.290 1.00 32.51 C ATOM 89 CG2 VAL A 6 1.472 -7.502 -14.436 1.00 44.45 C ATOM 0 H VAL A 6 5.276 -8.248 -13.139 1.00 22.43 H new ATOM 0 HA VAL A 6 2.517 -8.567 -12.215 1.00 63.20 H new ATOM 0 HB VAL A 6 3.193 -6.574 -13.589 1.00 42.44 H new ATOM 0 HG11 VAL A 6 3.610 -6.886 -15.994 1.00 32.51 H new ATOM 0 HG12 VAL A 6 4.870 -7.655 -14.999 1.00 32.51 H new ATOM 0 HG13 VAL A 6 3.607 -8.650 -15.762 1.00 32.51 H new ATOM 0 HG21 VAL A 6 1.295 -6.700 -15.153 1.00 44.45 H new ATOM 0 HG22 VAL A 6 1.195 -8.457 -14.884 1.00 44.45 H new ATOM 0 HG23 VAL A 6 0.869 -7.331 -13.544 1.00 44.45 H new ATOM 99 N LYS A 7 1.943 -10.684 -13.386 1.00 63.31 N ATOM 100 CA LYS A 7 1.640 -11.985 -13.971 1.00 42.14 C ATOM 101 C LYS A 7 1.151 -11.834 -15.408 1.00 73.22 C ATOM 102 O LYS A 7 1.512 -12.622 -16.283 1.00 1.24 O ATOM 103 CB LYS A 7 0.583 -12.710 -13.135 1.00 5.21 C ATOM 104 CG LYS A 7 0.716 -14.223 -13.166 1.00 1.44 C ATOM 105 CD LYS A 7 -0.359 -14.894 -12.328 1.00 13.22 C ATOM 106 CE LYS A 7 0.118 -15.145 -10.906 1.00 30.04 C ATOM 107 NZ LYS A 7 0.136 -16.597 -10.575 1.00 13.22 N ATOM 0 H LYS A 7 1.258 -10.359 -12.704 1.00 63.31 H new ATOM 0 HA LYS A 7 2.556 -12.575 -13.977 1.00 42.14 H new ATOM 0 HB2 LYS A 7 0.652 -12.369 -12.102 1.00 5.21 H new ATOM 0 HB3 LYS A 7 -0.407 -12.433 -13.497 1.00 5.21 H new ATOM 0 HG2 LYS A 7 0.648 -14.574 -14.196 1.00 1.44 H new ATOM 0 HG3 LYS A 7 1.700 -14.510 -12.795 1.00 1.44 H new ATOM 0 HD2 LYS A 7 -1.251 -14.267 -12.308 1.00 13.22 H new ATOM 0 HD3 LYS A 7 -0.644 -15.839 -12.789 1.00 13.22 H new ATOM 0 HE2 LYS A 7 1.119 -14.731 -10.780 1.00 30.04 H new ATOM 0 HE3 LYS A 7 -0.534 -14.621 -10.207 1.00 30.04 H new ATOM 0 HZ1 LYS A 7 0.467 -16.726 -9.598 1.00 13.22 H new ATOM 0 HZ2 LYS A 7 -0.824 -16.987 -10.670 1.00 13.22 H new ATOM 0 HZ3 LYS A 7 0.777 -17.094 -11.226 1.00 13.22 H new ATOM 121 N TRP A 8 0.329 -10.818 -15.645 1.00 32.24 N ATOM 122 CA TRP A 8 -0.209 -10.564 -16.977 1.00 24.15 C ATOM 123 C TRP A 8 -0.989 -9.255 -17.008 1.00 42.50 C ATOM 124 O TRP A 8 -1.615 -8.870 -16.020 1.00 51.12 O ATOM 125 CB TRP A 8 -1.110 -11.720 -17.414 1.00 40.33 C ATOM 126 CG TRP A 8 -2.403 -11.783 -16.659 1.00 72.14 C ATOM 127 CD1 TRP A 8 -3.444 -10.903 -16.742 1.00 12.03 C ATOM 128 CD2 TRP A 8 -2.791 -12.779 -15.707 1.00 14.24 C ATOM 129 NE1 TRP A 8 -4.456 -11.292 -15.897 1.00 52.53 N ATOM 130 CE2 TRP A 8 -4.081 -12.440 -15.252 1.00 2.24 C ATOM 131 CE3 TRP A 8 -2.176 -13.925 -15.195 1.00 14.40 C ATOM 132 CZ2 TRP A 8 -4.763 -13.205 -14.310 1.00 24.43 C ATOM 133 CZ3 TRP A 8 -2.854 -14.683 -14.260 1.00 34.21 C ATOM 134 CH2 TRP A 8 -4.137 -14.322 -13.826 1.00 3.14 C ATOM 0 H TRP A 8 0.020 -10.157 -14.932 1.00 32.24 H new ATOM 0 HA TRP A 8 0.628 -10.483 -17.671 1.00 24.15 H new ATOM 0 HB2 TRP A 8 -1.323 -11.623 -18.478 1.00 40.33 H new ATOM 0 HB3 TRP A 8 -0.574 -12.660 -17.281 1.00 40.33 H new ATOM 0 HD1 TRP A 8 -3.469 -10.030 -17.378 1.00 12.03 H new ATOM 0 HE1 TRP A 8 -5.343 -10.804 -15.771 1.00 52.53 H new ATOM 0 HE3 TRP A 8 -1.189 -14.213 -15.524 1.00 14.40 H new ATOM 0 HZ2 TRP A 8 -5.751 -12.927 -13.973 1.00 24.43 H new ATOM 0 HZ3 TRP A 8 -2.387 -15.569 -13.856 1.00 34.21 H new ATOM 0 HH2 TRP A 8 -4.641 -14.937 -13.096 1.00 3.14 H new ATOM 145 N PHE A 9 -0.947 -8.573 -18.148 1.00 73.22 N ATOM 146 CA PHE A 9 -1.650 -7.306 -18.307 1.00 54.44 C ATOM 147 C PHE A 9 -2.433 -7.279 -19.617 1.00 14.42 C ATOM 148 O PHE A 9 -1.867 -7.057 -20.686 1.00 73.12 O ATOM 149 CB PHE A 9 -0.660 -6.140 -18.268 1.00 63.24 C ATOM 150 CG PHE A 9 -1.319 -4.796 -18.149 1.00 35.33 C ATOM 151 CD1 PHE A 9 -1.681 -4.295 -16.908 1.00 72.45 C ATOM 152 CD2 PHE A 9 -1.577 -4.034 -19.276 1.00 55.52 C ATOM 153 CE1 PHE A 9 -2.289 -3.059 -16.796 1.00 32.42 C ATOM 154 CE2 PHE A 9 -2.185 -2.796 -19.170 1.00 21.53 C ATOM 155 CZ PHE A 9 -2.540 -2.308 -17.928 1.00 32.45 C ATOM 0 H PHE A 9 -0.433 -8.877 -18.975 1.00 73.22 H new ATOM 0 HA PHE A 9 -2.354 -7.204 -17.481 1.00 54.44 H new ATOM 0 HB2 PHE A 9 0.019 -6.278 -17.426 1.00 63.24 H new ATOM 0 HB3 PHE A 9 -0.053 -6.159 -19.173 1.00 63.24 H new ATOM 0 HD1 PHE A 9 -1.486 -4.877 -16.019 1.00 72.45 H new ATOM 0 HD2 PHE A 9 -1.300 -4.411 -20.250 1.00 55.52 H new ATOM 0 HE1 PHE A 9 -2.568 -2.680 -15.824 1.00 32.42 H new ATOM 0 HE2 PHE A 9 -2.382 -2.212 -20.057 1.00 21.53 H new ATOM 0 HZ PHE A 9 -3.013 -1.341 -17.842 1.00 32.45 H new ATOM 165 N ASN A 10 -3.739 -7.507 -19.523 1.00 54.30 N ATOM 166 CA ASN A 10 -4.601 -7.510 -20.700 1.00 11.13 C ATOM 167 C ASN A 10 -4.976 -6.087 -21.103 1.00 74.10 C ATOM 168 O ASN A 10 -5.877 -5.483 -20.521 1.00 72.43 O ATOM 169 CB ASN A 10 -5.867 -8.326 -20.428 1.00 42.34 C ATOM 170 CG ASN A 10 -6.492 -8.863 -21.701 1.00 61.42 C ATOM 171 OD1 ASN A 10 -5.815 -9.474 -22.529 1.00 2.42 O ATOM 172 ND2 ASN A 10 -7.791 -8.638 -21.863 1.00 65.22 N ATOM 0 H ASN A 10 -4.224 -7.692 -18.645 1.00 54.30 H new ATOM 0 HA ASN A 10 -4.051 -7.968 -21.522 1.00 11.13 H new ATOM 0 HB2 ASN A 10 -5.625 -9.158 -19.766 1.00 42.34 H new ATOM 0 HB3 ASN A 10 -6.592 -7.703 -19.905 1.00 42.34 H new ATOM 0 HD21 ASN A 10 -8.267 -8.976 -22.699 1.00 65.22 H new ATOM 0 HD22 ASN A 10 -8.313 -8.127 -21.151 1.00 65.22 H new ATOM 179 N ALA A 11 -4.279 -5.558 -22.103 1.00 73.23 N ATOM 180 CA ALA A 11 -4.541 -4.208 -22.586 1.00 62.15 C ATOM 181 C ALA A 11 -5.829 -4.156 -23.401 1.00 62.31 C ATOM 182 O ALA A 11 -6.443 -3.099 -23.541 1.00 63.21 O ATOM 183 CB ALA A 11 -3.368 -3.709 -23.417 1.00 51.53 C ATOM 0 H ALA A 11 -3.529 -6.044 -22.594 1.00 73.23 H new ATOM 0 HA ALA A 11 -4.664 -3.556 -21.721 1.00 62.15 H new ATOM 0 HB1 ALA A 11 -3.577 -2.700 -23.772 1.00 51.53 H new ATOM 0 HB2 ALA A 11 -2.466 -3.699 -22.805 1.00 51.53 H new ATOM 0 HB3 ALA A 11 -3.220 -4.370 -24.271 1.00 51.53 H new ATOM 189 N GLU A 12 -6.232 -5.305 -23.937 1.00 4.54 N ATOM 190 CA GLU A 12 -7.446 -5.388 -24.739 1.00 14.03 C ATOM 191 C GLU A 12 -8.671 -5.001 -23.914 1.00 23.41 C ATOM 192 O GLU A 12 -9.670 -4.523 -24.451 1.00 1.21 O ATOM 193 CB GLU A 12 -7.620 -6.802 -25.297 1.00 24.13 C ATOM 194 CG GLU A 12 -6.887 -7.033 -26.608 1.00 14.00 C ATOM 195 CD GLU A 12 -7.441 -8.211 -27.386 1.00 22.35 C ATOM 196 OE1 GLU A 12 -8.395 -8.012 -28.166 1.00 61.51 O ATOM 197 OE2 GLU A 12 -6.919 -9.333 -27.213 1.00 41.21 O ATOM 0 H GLU A 12 -5.735 -6.189 -23.830 1.00 4.54 H new ATOM 0 HA GLU A 12 -7.351 -4.687 -25.568 1.00 14.03 H new ATOM 0 HB2 GLU A 12 -7.264 -7.521 -24.559 1.00 24.13 H new ATOM 0 HB3 GLU A 12 -8.682 -6.997 -25.445 1.00 24.13 H new ATOM 0 HG2 GLU A 12 -6.954 -6.134 -27.221 1.00 14.00 H new ATOM 0 HG3 GLU A 12 -5.830 -7.202 -26.404 1.00 14.00 H new ATOM 204 N LYS A 13 -8.586 -5.213 -22.605 1.00 24.01 N ATOM 205 CA LYS A 13 -9.684 -4.887 -21.704 1.00 34.14 C ATOM 206 C LYS A 13 -9.287 -3.772 -20.742 1.00 42.30 C ATOM 207 O LYS A 13 -10.099 -2.913 -20.402 1.00 54.35 O ATOM 208 CB LYS A 13 -10.109 -6.128 -20.915 1.00 12.33 C ATOM 209 CG LYS A 13 -10.827 -7.168 -21.757 1.00 65.23 C ATOM 210 CD LYS A 13 -12.265 -6.765 -22.036 1.00 21.34 C ATOM 211 CE LYS A 13 -13.182 -7.977 -22.091 1.00 74.13 C ATOM 212 NZ LYS A 13 -14.619 -7.588 -22.044 1.00 0.11 N ATOM 0 H LYS A 13 -7.767 -5.610 -22.145 1.00 24.01 H new ATOM 0 HA LYS A 13 -10.524 -4.541 -22.306 1.00 34.14 H new ATOM 0 HB2 LYS A 13 -9.226 -6.583 -20.466 1.00 12.33 H new ATOM 0 HB3 LYS A 13 -10.761 -5.822 -20.097 1.00 12.33 H new ATOM 0 HG2 LYS A 13 -10.297 -7.303 -22.700 1.00 65.23 H new ATOM 0 HG3 LYS A 13 -10.811 -8.128 -21.242 1.00 65.23 H new ATOM 0 HD2 LYS A 13 -12.610 -6.081 -21.260 1.00 21.34 H new ATOM 0 HD3 LYS A 13 -12.316 -6.225 -22.982 1.00 21.34 H new ATOM 0 HE2 LYS A 13 -12.987 -8.538 -23.005 1.00 74.13 H new ATOM 0 HE3 LYS A 13 -12.958 -8.640 -21.256 1.00 74.13 H new ATOM 0 HZ1 LYS A 13 -15.211 -8.442 -22.084 1.00 0.11 H new ATOM 0 HZ2 LYS A 13 -14.811 -7.074 -21.160 1.00 0.11 H new ATOM 0 HZ3 LYS A 13 -14.840 -6.976 -22.855 1.00 0.11 H new ATOM 226 N GLY A 14 -8.030 -3.791 -20.307 1.00 53.24 N ATOM 227 CA GLY A 14 -7.547 -2.775 -19.390 1.00 70.24 C ATOM 228 C GLY A 14 -7.469 -3.274 -17.961 1.00 63.43 C ATOM 229 O GLY A 14 -7.860 -2.572 -17.029 1.00 34.33 O ATOM 0 H GLY A 14 -7.338 -4.492 -20.573 1.00 53.24 H new ATOM 0 HA2 GLY A 14 -6.560 -2.441 -19.709 1.00 70.24 H new ATOM 0 HA3 GLY A 14 -8.206 -1.908 -19.433 1.00 70.24 H new ATOM 233 N TYR A 15 -6.963 -4.491 -17.788 1.00 53.51 N ATOM 234 CA TYR A 15 -6.839 -5.085 -16.463 1.00 1.15 C ATOM 235 C TYR A 15 -5.597 -5.967 -16.375 1.00 42.51 C ATOM 236 O TYR A 15 -4.959 -6.262 -17.385 1.00 3.43 O ATOM 237 CB TYR A 15 -8.086 -5.907 -16.130 1.00 45.41 C ATOM 238 CG TYR A 15 -8.139 -7.240 -16.841 1.00 55.22 C ATOM 239 CD1 TYR A 15 -7.528 -8.364 -16.300 1.00 13.24 C ATOM 240 CD2 TYR A 15 -8.803 -7.375 -18.055 1.00 23.53 C ATOM 241 CE1 TYR A 15 -7.575 -9.583 -16.946 1.00 65.54 C ATOM 242 CE2 TYR A 15 -8.855 -8.592 -18.708 1.00 13.31 C ATOM 243 CZ TYR A 15 -8.239 -9.693 -18.150 1.00 53.50 C ATOM 244 OH TYR A 15 -8.289 -10.906 -18.797 1.00 22.12 O ATOM 0 H TYR A 15 -6.633 -5.084 -18.549 1.00 53.51 H new ATOM 0 HA TYR A 15 -6.741 -4.276 -15.739 1.00 1.15 H new ATOM 0 HB2 TYR A 15 -8.122 -6.077 -15.054 1.00 45.41 H new ATOM 0 HB3 TYR A 15 -8.972 -5.329 -16.392 1.00 45.41 H new ATOM 0 HD1 TYR A 15 -7.007 -8.283 -15.357 1.00 13.24 H new ATOM 0 HD2 TYR A 15 -9.286 -6.515 -18.495 1.00 23.53 H new ATOM 0 HE1 TYR A 15 -7.094 -10.447 -16.511 1.00 65.54 H new ATOM 0 HE2 TYR A 15 -9.375 -8.681 -19.650 1.00 13.31 H new ATOM 0 HH TYR A 15 -8.796 -10.811 -19.631 1.00 22.12 H new ATOM 254 N GLY A 16 -5.260 -6.385 -15.159 1.00 12.23 N ATOM 255 CA GLY A 16 -4.097 -7.229 -14.960 1.00 44.10 C ATOM 256 C GLY A 16 -3.957 -7.695 -13.524 1.00 45.24 C ATOM 257 O GLY A 16 -4.765 -7.338 -12.667 1.00 23.23 O ATOM 0 H GLY A 16 -5.772 -6.154 -14.308 1.00 12.23 H new ATOM 0 HA2 GLY A 16 -4.166 -8.097 -15.615 1.00 44.10 H new ATOM 0 HA3 GLY A 16 -3.200 -6.681 -15.250 1.00 44.10 H new ATOM 261 N PHE A 17 -2.929 -8.495 -13.261 1.00 71.54 N ATOM 262 CA PHE A 17 -2.687 -9.013 -11.920 1.00 33.51 C ATOM 263 C PHE A 17 -1.207 -8.922 -11.560 1.00 73.21 C ATOM 264 O PHE A 17 -0.338 -9.171 -12.396 1.00 51.42 O ATOM 265 CB PHE A 17 -3.160 -10.465 -11.818 1.00 20.21 C ATOM 266 CG PHE A 17 -4.655 -10.609 -11.798 1.00 0.24 C ATOM 267 CD1 PHE A 17 -5.404 -10.358 -12.936 1.00 43.11 C ATOM 268 CD2 PHE A 17 -5.311 -10.995 -10.640 1.00 74.23 C ATOM 269 CE1 PHE A 17 -6.780 -10.489 -12.920 1.00 5.42 C ATOM 270 CE2 PHE A 17 -6.687 -11.128 -10.618 1.00 71.00 C ATOM 271 CZ PHE A 17 -7.422 -10.875 -11.760 1.00 21.32 C ATOM 0 H PHE A 17 -2.250 -8.799 -13.959 1.00 71.54 H new ATOM 0 HA PHE A 17 -3.252 -8.403 -11.215 1.00 33.51 H new ATOM 0 HB2 PHE A 17 -2.760 -11.029 -12.661 1.00 20.21 H new ATOM 0 HB3 PHE A 17 -2.748 -10.910 -10.912 1.00 20.21 H new ATOM 0 HD1 PHE A 17 -4.907 -10.056 -13.846 1.00 43.11 H new ATOM 0 HD2 PHE A 17 -4.741 -11.194 -9.745 1.00 74.23 H new ATOM 0 HE1 PHE A 17 -7.352 -10.290 -13.814 1.00 5.42 H new ATOM 0 HE2 PHE A 17 -7.187 -11.429 -9.709 1.00 71.00 H new ATOM 0 HZ PHE A 17 -8.497 -10.979 -11.746 1.00 21.32 H new ATOM 281 N ILE A 18 -0.929 -8.564 -10.311 1.00 52.22 N ATOM 282 CA ILE A 18 0.445 -8.440 -9.840 1.00 73.14 C ATOM 283 C ILE A 18 0.720 -9.403 -8.690 1.00 45.24 C ATOM 284 O ILE A 18 -0.151 -9.657 -7.859 1.00 63.12 O ATOM 285 CB ILE A 18 0.754 -7.004 -9.378 1.00 43.13 C ATOM 286 CG1 ILE A 18 0.507 -6.014 -10.518 1.00 54.41 C ATOM 287 CG2 ILE A 18 2.190 -6.904 -8.885 1.00 61.13 C ATOM 288 CD1 ILE A 18 0.115 -4.632 -10.044 1.00 3.35 C ATOM 0 H ILE A 18 -1.637 -8.355 -9.607 1.00 52.22 H new ATOM 0 HA ILE A 18 1.091 -8.689 -10.682 1.00 73.14 H new ATOM 0 HB ILE A 18 0.088 -6.752 -8.552 1.00 43.13 H new ATOM 0 HG12 ILE A 18 1.409 -5.939 -11.125 1.00 54.41 H new ATOM 0 HG13 ILE A 18 -0.280 -6.405 -11.164 1.00 54.41 H new ATOM 0 HG21 ILE A 18 2.393 -5.883 -8.562 1.00 61.13 H new ATOM 0 HG22 ILE A 18 2.335 -7.586 -8.047 1.00 61.13 H new ATOM 0 HG23 ILE A 18 2.871 -7.172 -9.693 1.00 61.13 H new ATOM 0 HD11 ILE A 18 -0.044 -3.983 -10.905 1.00 3.35 H new ATOM 0 HD12 ILE A 18 -0.804 -4.694 -9.462 1.00 3.35 H new ATOM 0 HD13 ILE A 18 0.911 -4.221 -9.423 1.00 3.35 H new ATOM 300 N GLN A 19 1.938 -9.933 -8.649 1.00 65.21 N ATOM 301 CA GLN A 19 2.329 -10.867 -7.600 1.00 22.13 C ATOM 302 C GLN A 19 3.445 -10.284 -6.740 1.00 4.44 C ATOM 303 O GLN A 19 4.514 -9.939 -7.244 1.00 15.51 O ATOM 304 CB GLN A 19 2.781 -12.194 -8.211 1.00 63.23 C ATOM 305 CG GLN A 19 1.992 -12.595 -9.447 1.00 41.33 C ATOM 306 CD GLN A 19 0.496 -12.617 -9.203 1.00 2.42 C ATOM 307 OE1 GLN A 19 0.006 -13.353 -8.346 1.00 2.31 O ATOM 308 NE2 GLN A 19 -0.239 -11.807 -9.956 1.00 70.23 N ATOM 0 H GLN A 19 2.671 -9.732 -9.330 1.00 65.21 H new ATOM 0 HA GLN A 19 1.461 -11.044 -6.965 1.00 22.13 H new ATOM 0 HB2 GLN A 19 3.837 -12.123 -8.471 1.00 63.23 H new ATOM 0 HB3 GLN A 19 2.689 -12.980 -7.461 1.00 63.23 H new ATOM 0 HG2 GLN A 19 2.214 -11.900 -10.256 1.00 41.33 H new ATOM 0 HG3 GLN A 19 2.317 -13.582 -9.776 1.00 41.33 H new ATOM 0 HE21 GLN A 19 0.209 -11.214 -10.655 1.00 70.23 H new ATOM 0 HE22 GLN A 19 -1.251 -11.778 -9.836 1.00 70.23 H new ATOM 317 N GLN A 20 3.190 -10.176 -5.440 1.00 35.32 N ATOM 318 CA GLN A 20 4.173 -9.633 -4.510 1.00 61.34 C ATOM 319 C GLN A 20 4.719 -10.725 -3.596 1.00 71.00 C ATOM 320 O GLN A 20 4.500 -11.912 -3.833 1.00 34.40 O ATOM 321 CB GLN A 20 3.551 -8.514 -3.673 1.00 64.13 C ATOM 322 CG GLN A 20 2.427 -8.986 -2.766 1.00 53.10 C ATOM 323 CD GLN A 20 2.410 -8.264 -1.433 1.00 51.43 C ATOM 324 OE1 GLN A 20 1.383 -7.726 -1.019 1.00 11.54 O ATOM 325 NE2 GLN A 20 3.551 -8.248 -0.754 1.00 14.13 N ATOM 0 H GLN A 20 2.311 -10.458 -5.007 1.00 35.32 H new ATOM 0 HA GLN A 20 5.000 -9.225 -5.092 1.00 61.34 H new ATOM 0 HB2 GLN A 20 4.328 -8.052 -3.064 1.00 64.13 H new ATOM 0 HB3 GLN A 20 3.168 -7.742 -4.341 1.00 64.13 H new ATOM 0 HG2 GLN A 20 1.472 -8.835 -3.269 1.00 53.10 H new ATOM 0 HG3 GLN A 20 2.530 -10.057 -2.593 1.00 53.10 H new ATOM 0 HE21 GLN A 20 4.378 -8.707 -1.136 1.00 14.13 H new ATOM 0 HE22 GLN A 20 3.600 -7.777 0.149 1.00 14.13 H new ATOM 397 N VAL A 26 -3.206 -9.753 -7.194 1.00 54.34 N ATOM 398 CA VAL A 26 -3.942 -8.537 -6.868 1.00 31.04 C ATOM 399 C VAL A 26 -4.738 -8.037 -8.068 1.00 44.40 C ATOM 400 O VAL A 26 -4.356 -8.261 -9.217 1.00 22.32 O ATOM 401 CB VAL A 26 -2.996 -7.419 -6.391 1.00 23.33 C ATOM 402 CG1 VAL A 26 -2.566 -6.548 -7.561 1.00 10.20 C ATOM 403 CG2 VAL A 26 -3.662 -6.583 -5.309 1.00 13.11 C ATOM 0 HA VAL A 26 -4.629 -8.790 -6.061 1.00 31.04 H new ATOM 0 HB VAL A 26 -2.104 -7.879 -5.965 1.00 23.33 H new ATOM 0 HG11 VAL A 26 -1.898 -5.764 -7.205 1.00 10.20 H new ATOM 0 HG12 VAL A 26 -2.046 -7.160 -8.298 1.00 10.20 H new ATOM 0 HG13 VAL A 26 -3.445 -6.095 -8.020 1.00 10.20 H new ATOM 0 HG21 VAL A 26 -2.979 -5.798 -4.984 1.00 13.11 H new ATOM 0 HG22 VAL A 26 -4.571 -6.132 -5.706 1.00 13.11 H new ATOM 0 HG23 VAL A 26 -3.913 -7.219 -4.461 1.00 13.11 H new ATOM 413 N PHE A 27 -5.846 -7.356 -7.794 1.00 61.35 N ATOM 414 CA PHE A 27 -6.697 -6.824 -8.852 1.00 43.43 C ATOM 415 C PHE A 27 -6.198 -5.458 -9.315 1.00 15.42 C ATOM 416 O PHE A 27 -6.195 -4.494 -8.549 1.00 44.40 O ATOM 417 CB PHE A 27 -8.143 -6.714 -8.366 1.00 11.44 C ATOM 418 CG PHE A 27 -9.159 -6.937 -9.449 1.00 62.23 C ATOM 419 CD1 PHE A 27 -9.568 -8.219 -9.780 1.00 21.13 C ATOM 420 CD2 PHE A 27 -9.705 -5.866 -10.137 1.00 41.42 C ATOM 421 CE1 PHE A 27 -10.502 -8.428 -10.777 1.00 43.40 C ATOM 422 CE2 PHE A 27 -10.640 -6.068 -11.135 1.00 45.12 C ATOM 423 CZ PHE A 27 -11.039 -7.351 -11.455 1.00 11.32 C ATOM 0 H PHE A 27 -6.175 -7.160 -6.849 1.00 61.35 H new ATOM 0 HA PHE A 27 -6.657 -7.512 -9.697 1.00 43.43 H new ATOM 0 HB2 PHE A 27 -8.307 -7.441 -7.570 1.00 11.44 H new ATOM 0 HB3 PHE A 27 -8.298 -5.726 -7.932 1.00 11.44 H new ATOM 0 HD1 PHE A 27 -9.152 -9.065 -9.253 1.00 21.13 H new ATOM 0 HD2 PHE A 27 -9.396 -4.861 -9.891 1.00 41.42 H new ATOM 0 HE1 PHE A 27 -10.812 -9.432 -11.026 1.00 43.40 H new ATOM 0 HE2 PHE A 27 -11.058 -5.224 -11.664 1.00 45.12 H new ATOM 0 HZ PHE A 27 -11.770 -7.512 -12.234 1.00 11.32 H new ATOM 433 N VAL A 28 -5.778 -5.383 -10.574 1.00 2.24 N ATOM 434 CA VAL A 28 -5.278 -4.136 -11.140 1.00 3.33 C ATOM 435 C VAL A 28 -6.035 -3.766 -12.410 1.00 72.10 C ATOM 436 O VAL A 28 -6.427 -4.637 -13.188 1.00 3.20 O ATOM 437 CB VAL A 28 -3.774 -4.228 -11.460 1.00 60.13 C ATOM 438 CG1 VAL A 28 -3.126 -5.351 -10.664 1.00 11.51 C ATOM 439 CG2 VAL A 28 -3.559 -4.429 -12.953 1.00 32.43 C ATOM 0 H VAL A 28 -5.774 -6.171 -11.221 1.00 2.24 H new ATOM 0 HA VAL A 28 -5.435 -3.362 -10.389 1.00 3.33 H new ATOM 0 HB VAL A 28 -3.300 -3.290 -11.170 1.00 60.13 H new ATOM 0 HG11 VAL A 28 -2.064 -5.401 -10.903 1.00 11.51 H new ATOM 0 HG12 VAL A 28 -3.249 -5.160 -9.598 1.00 11.51 H new ATOM 0 HG13 VAL A 28 -3.600 -6.299 -10.920 1.00 11.51 H new ATOM 0 HG21 VAL A 28 -2.491 -4.492 -13.162 1.00 32.43 H new ATOM 0 HG22 VAL A 28 -4.046 -5.352 -13.270 1.00 32.43 H new ATOM 0 HG23 VAL A 28 -3.986 -3.588 -13.499 1.00 32.43 H new ATOM 449 N HIS A 29 -6.238 -2.469 -12.615 1.00 15.51 N ATOM 450 CA HIS A 29 -6.949 -1.983 -13.793 1.00 3.44 C ATOM 451 C HIS A 29 -6.361 -0.660 -14.274 1.00 44.24 C ATOM 452 O HIS A 29 -5.690 0.045 -13.520 1.00 23.43 O ATOM 453 CB HIS A 29 -8.436 -1.810 -13.482 1.00 42.11 C ATOM 454 CG HIS A 29 -9.272 -2.985 -13.885 1.00 32.33 C ATOM 455 ND1 HIS A 29 -10.228 -2.925 -14.877 1.00 45.42 N ATOM 456 CD2 HIS A 29 -9.291 -4.258 -13.424 1.00 12.24 C ATOM 457 CE1 HIS A 29 -10.799 -4.108 -15.008 1.00 72.30 C ATOM 458 NE2 HIS A 29 -10.249 -4.935 -14.138 1.00 23.43 N ATOM 0 H HIS A 29 -5.921 -1.735 -11.981 1.00 15.51 H new ATOM 0 HA HIS A 29 -6.835 -2.722 -14.586 1.00 3.44 H new ATOM 0 HB2 HIS A 29 -8.558 -1.638 -12.413 1.00 42.11 H new ATOM 0 HB3 HIS A 29 -8.804 -0.920 -13.992 1.00 42.11 H new ATOM 0 HD2 HIS A 29 -8.669 -4.665 -12.641 1.00 12.24 H new ATOM 0 HE1 HIS A 29 -11.583 -4.357 -15.708 1.00 72.30 H new ATOM 0 HE2 HIS A 29 -10.496 -5.917 -14.016 1.00 23.43 H new ATOM 466 N PHE A 30 -6.616 -0.329 -15.536 1.00 2.11 N ATOM 467 CA PHE A 30 -6.110 0.908 -16.119 1.00 12.40 C ATOM 468 C PHE A 30 -6.632 2.122 -15.356 1.00 1.33 C ATOM 469 O PHE A 30 -6.073 3.216 -15.448 1.00 54.10 O ATOM 470 CB PHE A 30 -6.514 1.006 -17.592 1.00 32.54 C ATOM 471 CG PHE A 30 -7.943 1.421 -17.795 1.00 12.01 C ATOM 472 CD1 PHE A 30 -8.951 0.473 -17.865 1.00 20.31 C ATOM 473 CD2 PHE A 30 -8.279 2.760 -17.916 1.00 22.14 C ATOM 474 CE1 PHE A 30 -10.267 0.852 -18.053 1.00 5.42 C ATOM 475 CE2 PHE A 30 -9.593 3.146 -18.103 1.00 62.32 C ATOM 476 CZ PHE A 30 -10.588 2.191 -18.171 1.00 20.52 C ATOM 0 H PHE A 30 -7.170 -0.900 -16.174 1.00 2.11 H new ATOM 0 HA PHE A 30 -5.022 0.895 -16.048 1.00 12.40 H new ATOM 0 HB2 PHE A 30 -5.862 1.721 -18.093 1.00 32.54 H new ATOM 0 HB3 PHE A 30 -6.353 0.040 -18.070 1.00 32.54 H new ATOM 0 HD1 PHE A 30 -8.706 -0.575 -17.772 1.00 20.31 H new ATOM 0 HD2 PHE A 30 -7.505 3.511 -17.864 1.00 22.14 H new ATOM 0 HE1 PHE A 30 -11.043 0.103 -18.108 1.00 5.42 H new ATOM 0 HE2 PHE A 30 -9.841 4.193 -18.196 1.00 62.32 H new ATOM 0 HZ PHE A 30 -11.616 2.490 -18.316 1.00 20.52 H new ATOM 486 N THR A 31 -7.708 1.922 -14.601 1.00 21.10 N ATOM 487 CA THR A 31 -8.307 2.999 -13.823 1.00 30.32 C ATOM 488 C THR A 31 -7.617 3.151 -12.472 1.00 44.14 C ATOM 489 O THR A 31 -8.035 3.953 -11.638 1.00 20.12 O ATOM 490 CB THR A 31 -9.811 2.756 -13.593 1.00 42.54 C ATOM 491 OG1 THR A 31 -10.411 3.919 -13.011 1.00 21.34 O ATOM 492 CG2 THR A 31 -10.033 1.556 -12.686 1.00 73.32 C ATOM 0 H THR A 31 -8.182 1.023 -14.512 1.00 21.10 H new ATOM 0 HA THR A 31 -8.178 3.915 -14.399 1.00 30.32 H new ATOM 0 HB THR A 31 -10.276 2.552 -14.558 1.00 42.54 H new ATOM 0 HG1 THR A 31 -9.792 4.318 -12.365 1.00 21.34 H new ATOM 0 HG21 THR A 31 -11.102 1.404 -12.538 1.00 73.32 H new ATOM 0 HG22 THR A 31 -9.601 0.667 -13.146 1.00 73.32 H new ATOM 0 HG23 THR A 31 -9.555 1.735 -11.723 1.00 73.32 H new ATOM 500 N ALA A 32 -6.557 2.377 -12.264 1.00 45.03 N ATOM 501 CA ALA A 32 -5.806 2.429 -11.016 1.00 34.54 C ATOM 502 C ALA A 32 -4.333 2.725 -11.272 1.00 63.43 C ATOM 503 O ALA A 32 -3.670 3.374 -10.463 1.00 14.35 O ATOM 504 CB ALA A 32 -5.959 1.120 -10.254 1.00 0.31 C ATOM 0 H ALA A 32 -6.199 1.706 -12.944 1.00 45.03 H new ATOM 0 HA ALA A 32 -6.211 3.240 -10.411 1.00 34.54 H new ATOM 0 HB1 ALA A 32 -5.393 1.172 -9.324 1.00 0.31 H new ATOM 0 HB2 ALA A 32 -7.012 0.951 -10.029 1.00 0.31 H new ATOM 0 HB3 ALA A 32 -5.582 0.298 -10.863 1.00 0.31 H new ATOM 510 N ILE A 33 -3.826 2.244 -12.402 1.00 64.04 N ATOM 511 CA ILE A 33 -2.430 2.458 -12.765 1.00 11.11 C ATOM 512 C ILE A 33 -2.060 3.935 -12.677 1.00 24.31 C ATOM 513 O ILE A 33 -2.760 4.793 -13.213 1.00 21.12 O ATOM 514 CB ILE A 33 -2.134 1.950 -14.188 1.00 62.02 C ATOM 515 CG1 ILE A 33 -2.252 0.426 -14.244 1.00 73.50 C ATOM 516 CG2 ILE A 33 -0.749 2.396 -14.632 1.00 65.40 C ATOM 517 CD1 ILE A 33 -2.718 -0.096 -15.585 1.00 53.44 C ATOM 0 H ILE A 33 -4.361 1.704 -13.082 1.00 64.04 H new ATOM 0 HA ILE A 33 -1.828 1.892 -12.054 1.00 11.11 H new ATOM 0 HB ILE A 33 -2.868 2.378 -14.871 1.00 62.02 H new ATOM 0 HG12 ILE A 33 -1.283 -0.014 -14.009 1.00 73.50 H new ATOM 0 HG13 ILE A 33 -2.948 0.095 -13.473 1.00 73.50 H new ATOM 0 HG21 ILE A 33 -0.554 2.029 -15.640 1.00 65.40 H new ATOM 0 HG22 ILE A 33 -0.698 3.485 -14.626 1.00 65.40 H new ATOM 0 HG23 ILE A 33 -0.001 1.994 -13.949 1.00 65.40 H new ATOM 0 HD11 ILE A 33 -2.778 -1.184 -15.551 1.00 53.44 H new ATOM 0 HD12 ILE A 33 -3.701 0.315 -15.814 1.00 53.44 H new ATOM 0 HD13 ILE A 33 -2.011 0.204 -16.358 1.00 53.44 H new ATOM 529 N GLU A 34 -0.953 4.222 -11.999 1.00 10.24 N ATOM 530 CA GLU A 34 -0.489 5.596 -11.842 1.00 32.33 C ATOM 531 C GLU A 34 0.790 5.832 -12.639 1.00 4.21 C ATOM 532 O GLU A 34 1.895 5.681 -12.119 1.00 3.14 O ATOM 533 CB GLU A 34 -0.248 5.910 -10.364 1.00 1.41 C ATOM 534 CG GLU A 34 -1.474 5.707 -9.490 1.00 53.22 C ATOM 535 CD GLU A 34 -2.261 6.987 -9.282 1.00 62.10 C ATOM 536 OE1 GLU A 34 -1.919 8.004 -9.920 1.00 1.53 O ATOM 537 OE2 GLU A 34 -3.219 6.970 -8.481 1.00 22.11 O ATOM 0 H GLU A 34 -0.362 3.523 -11.550 1.00 10.24 H new ATOM 0 HA GLU A 34 -1.263 6.261 -12.226 1.00 32.33 H new ATOM 0 HB2 GLU A 34 0.560 5.278 -9.994 1.00 1.41 H new ATOM 0 HB3 GLU A 34 0.087 6.943 -10.271 1.00 1.41 H new ATOM 0 HG2 GLU A 34 -2.121 4.957 -9.946 1.00 53.22 H new ATOM 0 HG3 GLU A 34 -1.164 5.314 -8.522 1.00 53.22 H new ATOM 631 N LEU A 41 1.825 -2.495 -19.138 1.00 1.34 N ATOM 632 CA LEU A 41 2.936 -3.187 -18.494 1.00 20.22 C ATOM 633 C LEU A 41 3.358 -4.409 -19.303 1.00 22.30 C ATOM 634 O LEU A 41 2.745 -4.736 -20.318 1.00 42.44 O ATOM 635 CB LEU A 41 2.547 -3.610 -17.076 1.00 53.51 C ATOM 636 CG LEU A 41 2.405 -2.481 -16.054 1.00 43.34 C ATOM 637 CD1 LEU A 41 3.636 -1.587 -16.073 1.00 14.11 C ATOM 638 CD2 LEU A 41 1.149 -1.667 -16.329 1.00 32.43 C ATOM 0 HA LEU A 41 3.779 -2.499 -18.442 1.00 20.22 H new ATOM 0 HB2 LEU A 41 1.601 -4.149 -17.126 1.00 53.51 H new ATOM 0 HB3 LEU A 41 3.295 -4.313 -16.710 1.00 53.51 H new ATOM 0 HG LEU A 41 2.317 -2.924 -15.062 1.00 43.34 H new ATOM 0 HD11 LEU A 41 3.518 -0.789 -15.340 1.00 14.11 H new ATOM 0 HD12 LEU A 41 4.518 -2.178 -15.827 1.00 14.11 H new ATOM 0 HD13 LEU A 41 3.755 -1.153 -17.066 1.00 14.11 H new ATOM 0 HD21 LEU A 41 1.064 -0.868 -15.592 1.00 32.43 H new ATOM 0 HD22 LEU A 41 1.207 -1.234 -17.328 1.00 32.43 H new ATOM 0 HD23 LEU A 41 0.274 -2.314 -16.264 1.00 32.43 H new ATOM 650 N ASN A 42 4.408 -5.082 -18.844 1.00 63.51 N ATOM 651 CA ASN A 42 4.912 -6.270 -19.525 1.00 34.35 C ATOM 652 C ASN A 42 5.100 -7.421 -18.541 1.00 65.42 C ATOM 653 O ASN A 42 5.697 -7.251 -17.479 1.00 2.23 O ATOM 654 CB ASN A 42 6.236 -5.960 -20.224 1.00 44.22 C ATOM 655 CG ASN A 42 6.235 -4.595 -20.885 1.00 3.21 C ATOM 656 OD1 ASN A 42 6.492 -3.579 -20.238 1.00 25.52 O ATOM 657 ND2 ASN A 42 5.945 -4.565 -22.180 1.00 54.13 N ATOM 0 H ASN A 42 4.926 -4.826 -18.004 1.00 63.51 H new ATOM 0 HA ASN A 42 4.177 -6.570 -20.272 1.00 34.35 H new ATOM 0 HB2 ASN A 42 7.047 -6.008 -19.498 1.00 44.22 H new ATOM 0 HB3 ASN A 42 6.435 -6.724 -20.975 1.00 44.22 H new ATOM 0 HD21 ASN A 42 5.929 -3.675 -22.679 1.00 54.13 H new ATOM 0 HD22 ASN A 42 5.738 -5.432 -22.677 1.00 54.13 H new ATOM 664 N GLU A 43 4.588 -8.593 -18.905 1.00 22.14 N ATOM 665 CA GLU A 43 4.701 -9.772 -18.054 1.00 34.01 C ATOM 666 C GLU A 43 6.157 -10.040 -17.685 1.00 70.14 C ATOM 667 O GLU A 43 7.026 -10.107 -18.553 1.00 61.24 O ATOM 668 CB GLU A 43 4.108 -10.995 -18.758 1.00 11.43 C ATOM 669 CG GLU A 43 4.261 -12.285 -17.970 1.00 5.54 C ATOM 670 CD GLU A 43 3.907 -13.512 -18.786 1.00 20.54 C ATOM 671 OE1 GLU A 43 3.043 -13.402 -19.680 1.00 33.00 O ATOM 672 OE2 GLU A 43 4.495 -14.584 -18.529 1.00 71.24 O ATOM 0 H GLU A 43 4.092 -8.751 -19.782 1.00 22.14 H new ATOM 0 HA GLU A 43 4.142 -9.582 -17.138 1.00 34.01 H new ATOM 0 HB2 GLU A 43 3.049 -10.817 -18.946 1.00 11.43 H new ATOM 0 HB3 GLU A 43 4.589 -11.113 -19.729 1.00 11.43 H new ATOM 0 HG2 GLU A 43 5.289 -12.372 -17.618 1.00 5.54 H new ATOM 0 HG3 GLU A 43 3.624 -12.244 -17.087 1.00 5.54 H new ATOM 679 N GLY A 44 6.415 -10.192 -16.390 1.00 3.11 N ATOM 680 CA GLY A 44 7.767 -10.450 -15.928 1.00 53.02 C ATOM 681 C GLY A 44 8.432 -9.211 -15.362 1.00 24.51 C ATOM 682 O GLY A 44 9.449 -9.305 -14.675 1.00 61.22 O ATOM 0 H GLY A 44 5.712 -10.141 -15.652 1.00 3.11 H new ATOM 0 HA2 GLY A 44 7.745 -11.228 -15.165 1.00 53.02 H new ATOM 0 HA3 GLY A 44 8.364 -10.833 -16.756 1.00 53.02 H new ATOM 686 N GLU A 45 7.858 -8.048 -15.652 1.00 4.13 N ATOM 687 CA GLU A 45 8.405 -6.786 -15.168 1.00 2.31 C ATOM 688 C GLU A 45 7.909 -6.483 -13.757 1.00 24.33 C ATOM 689 O GLU A 45 6.878 -6.999 -13.325 1.00 55.23 O ATOM 690 CB GLU A 45 8.021 -5.643 -16.111 1.00 25.32 C ATOM 691 CG GLU A 45 8.756 -4.345 -15.824 1.00 0.42 C ATOM 692 CD GLU A 45 9.203 -3.636 -17.088 1.00 3.24 C ATOM 693 OE1 GLU A 45 9.712 -4.319 -18.002 1.00 14.44 O ATOM 694 OE2 GLU A 45 9.046 -2.399 -17.163 1.00 34.53 O ATOM 0 H GLU A 45 7.015 -7.953 -16.219 1.00 4.13 H new ATOM 0 HA GLU A 45 9.491 -6.877 -15.141 1.00 2.31 H new ATOM 0 HB2 GLU A 45 8.224 -5.947 -17.138 1.00 25.32 H new ATOM 0 HB3 GLU A 45 6.948 -5.467 -16.037 1.00 25.32 H new ATOM 0 HG2 GLU A 45 8.107 -3.683 -15.251 1.00 0.42 H new ATOM 0 HG3 GLU A 45 9.626 -4.554 -15.202 1.00 0.42 H new ATOM 701 N HIS A 46 8.652 -5.644 -13.042 1.00 25.42 N ATOM 702 CA HIS A 46 8.289 -5.273 -11.679 1.00 2.31 C ATOM 703 C HIS A 46 7.409 -4.027 -11.672 1.00 0.50 C ATOM 704 O HIS A 46 7.632 -3.092 -12.442 1.00 3.03 O ATOM 705 CB HIS A 46 9.546 -5.029 -10.842 1.00 55.33 C ATOM 706 CG HIS A 46 10.735 -5.813 -11.305 1.00 12.31 C ATOM 707 ND1 HIS A 46 11.001 -7.097 -10.879 1.00 45.14 N ATOM 708 CD2 HIS A 46 11.730 -5.488 -12.163 1.00 2.13 C ATOM 709 CE1 HIS A 46 12.110 -7.527 -11.454 1.00 63.51 C ATOM 710 NE2 HIS A 46 12.572 -6.570 -12.238 1.00 61.12 N ATOM 0 H HIS A 46 9.509 -5.208 -13.384 1.00 25.42 H new ATOM 0 HA HIS A 46 7.725 -6.097 -11.242 1.00 2.31 H new ATOM 0 HB2 HIS A 46 9.789 -3.967 -10.868 1.00 55.33 H new ATOM 0 HB3 HIS A 46 9.336 -5.283 -9.803 1.00 55.33 H new ATOM 0 HD2 HIS A 46 11.841 -4.552 -12.690 1.00 2.13 H new ATOM 0 HE1 HIS A 46 12.562 -8.497 -11.308 1.00 63.51 H new ATOM 0 HE2 HIS A 46 13.417 -6.626 -12.807 1.00 61.12 H new ATOM 718 N VAL A 47 6.407 -4.020 -10.798 1.00 63.22 N ATOM 719 CA VAL A 47 5.494 -2.889 -10.691 1.00 34.12 C ATOM 720 C VAL A 47 4.854 -2.829 -9.308 1.00 52.34 C ATOM 721 O VAL A 47 4.524 -3.859 -8.721 1.00 52.44 O ATOM 722 CB VAL A 47 4.383 -2.962 -11.756 1.00 1.43 C ATOM 723 CG1 VAL A 47 4.982 -2.945 -13.154 1.00 31.52 C ATOM 724 CG2 VAL A 47 3.526 -4.201 -11.548 1.00 24.31 C ATOM 0 H VAL A 47 6.207 -4.785 -10.154 1.00 63.22 H new ATOM 0 HA VAL A 47 6.085 -1.988 -10.854 1.00 34.12 H new ATOM 0 HB VAL A 47 3.744 -2.085 -11.650 1.00 1.43 H new ATOM 0 HG11 VAL A 47 4.183 -2.997 -13.893 1.00 31.52 H new ATOM 0 HG12 VAL A 47 5.548 -2.024 -13.296 1.00 31.52 H new ATOM 0 HG13 VAL A 47 5.645 -3.801 -13.276 1.00 31.52 H new ATOM 0 HG21 VAL A 47 2.747 -4.236 -12.309 1.00 24.31 H new ATOM 0 HG22 VAL A 47 4.149 -5.092 -11.626 1.00 24.31 H new ATOM 0 HG23 VAL A 47 3.067 -4.164 -10.560 1.00 24.31 H new ATOM 734 N GLU A 48 4.681 -1.615 -8.795 1.00 3.25 N ATOM 735 CA GLU A 48 4.081 -1.421 -7.480 1.00 12.20 C ATOM 736 C GLU A 48 2.559 -1.361 -7.580 1.00 43.54 C ATOM 737 O GLU A 48 2.005 -1.136 -8.657 1.00 25.11 O ATOM 738 CB GLU A 48 4.612 -0.138 -6.837 1.00 34.15 C ATOM 739 CG GLU A 48 4.226 0.014 -5.375 1.00 12.42 C ATOM 740 CD GLU A 48 5.164 0.933 -4.616 1.00 64.35 C ATOM 741 OE1 GLU A 48 6.339 1.050 -5.024 1.00 72.22 O ATOM 742 OE2 GLU A 48 4.724 1.535 -3.615 1.00 35.32 O ATOM 0 H GLU A 48 4.947 -0.752 -9.269 1.00 3.25 H new ATOM 0 HA GLU A 48 4.354 -2.272 -6.855 1.00 12.20 H new ATOM 0 HB2 GLU A 48 5.699 -0.122 -6.921 1.00 34.15 H new ATOM 0 HB3 GLU A 48 4.237 0.720 -7.394 1.00 34.15 H new ATOM 0 HG2 GLU A 48 3.210 0.404 -5.310 1.00 12.42 H new ATOM 0 HG3 GLU A 48 4.222 -0.967 -4.900 1.00 12.42 H new ATOM 749 N PHE A 49 1.889 -1.563 -6.451 1.00 22.21 N ATOM 750 CA PHE A 49 0.432 -1.534 -6.411 1.00 12.32 C ATOM 751 C PHE A 49 -0.070 -1.403 -4.976 1.00 13.32 C ATOM 752 O PHE A 49 0.352 -2.145 -4.090 1.00 11.01 O ATOM 753 CB PHE A 49 -0.143 -2.799 -7.051 1.00 21.25 C ATOM 754 CG PHE A 49 0.241 -4.061 -6.332 1.00 62.35 C ATOM 755 CD1 PHE A 49 1.466 -4.665 -6.571 1.00 15.53 C ATOM 756 CD2 PHE A 49 -0.623 -4.645 -5.420 1.00 4.14 C ATOM 757 CE1 PHE A 49 1.822 -5.826 -5.911 1.00 42.24 C ATOM 758 CE2 PHE A 49 -0.271 -5.806 -4.757 1.00 52.30 C ATOM 759 CZ PHE A 49 0.952 -6.398 -5.004 1.00 41.41 C ATOM 0 H PHE A 49 2.332 -1.749 -5.551 1.00 22.21 H new ATOM 0 HA PHE A 49 0.095 -0.665 -6.976 1.00 12.32 H new ATOM 0 HB2 PHE A 49 -1.230 -2.722 -7.078 1.00 21.25 H new ATOM 0 HB3 PHE A 49 0.198 -2.861 -8.085 1.00 21.25 H new ATOM 0 HD1 PHE A 49 2.150 -4.223 -7.281 1.00 15.53 H new ATOM 0 HD2 PHE A 49 -1.582 -4.188 -5.225 1.00 4.14 H new ATOM 0 HE1 PHE A 49 2.780 -6.286 -6.105 1.00 42.24 H new ATOM 0 HE2 PHE A 49 -0.952 -6.250 -4.046 1.00 52.30 H new ATOM 0 HZ PHE A 49 1.227 -7.306 -4.489 1.00 41.41 H new ATOM 769 N GLU A 50 -0.974 -0.453 -4.756 1.00 4.54 N ATOM 770 CA GLU A 50 -1.532 -0.223 -3.428 1.00 70.22 C ATOM 771 C GLU A 50 -2.879 -0.924 -3.276 1.00 52.33 C ATOM 772 O GLU A 50 -3.905 -0.429 -3.743 1.00 51.24 O ATOM 773 CB GLU A 50 -1.693 1.276 -3.170 1.00 44.43 C ATOM 774 CG GLU A 50 -0.478 1.915 -2.519 1.00 44.50 C ATOM 775 CD GLU A 50 0.797 1.684 -3.308 1.00 34.34 C ATOM 776 OE1 GLU A 50 1.217 0.514 -3.426 1.00 43.11 O ATOM 777 OE2 GLU A 50 1.373 2.673 -3.807 1.00 10.04 O ATOM 0 H GLU A 50 -1.335 0.169 -5.479 1.00 4.54 H new ATOM 0 HA GLU A 50 -0.840 -0.638 -2.695 1.00 70.22 H new ATOM 0 HB2 GLU A 50 -1.895 1.779 -4.116 1.00 44.43 H new ATOM 0 HB3 GLU A 50 -2.562 1.435 -2.532 1.00 44.43 H new ATOM 0 HG2 GLU A 50 -0.648 2.987 -2.416 1.00 44.50 H new ATOM 0 HG3 GLU A 50 -0.356 1.513 -1.513 1.00 44.50 H new ATOM 784 N VAL A 51 -2.868 -2.080 -2.620 1.00 1.52 N ATOM 785 CA VAL A 51 -4.088 -2.849 -2.405 1.00 42.22 C ATOM 786 C VAL A 51 -5.066 -2.091 -1.515 1.00 1.22 C ATOM 787 O VAL A 51 -4.709 -1.642 -0.426 1.00 41.12 O ATOM 788 CB VAL A 51 -3.783 -4.217 -1.767 1.00 15.14 C ATOM 789 CG1 VAL A 51 -2.840 -5.020 -2.649 1.00 30.22 C ATOM 790 CG2 VAL A 51 -3.200 -4.036 -0.374 1.00 24.14 C ATOM 0 H VAL A 51 -2.027 -2.505 -2.228 1.00 1.52 H new ATOM 0 HA VAL A 51 -4.540 -3.006 -3.384 1.00 42.22 H new ATOM 0 HB VAL A 51 -4.716 -4.772 -1.676 1.00 15.14 H new ATOM 0 HG11 VAL A 51 -2.636 -5.983 -2.181 1.00 30.22 H new ATOM 0 HG12 VAL A 51 -3.301 -5.180 -3.624 1.00 30.22 H new ATOM 0 HG13 VAL A 51 -1.906 -4.473 -2.775 1.00 30.22 H new ATOM 0 HG21 VAL A 51 -2.990 -5.013 0.062 1.00 24.14 H new ATOM 0 HG22 VAL A 51 -2.276 -3.461 -0.438 1.00 24.14 H new ATOM 0 HG23 VAL A 51 -3.915 -3.504 0.253 1.00 24.14 H new ATOM 800 N GLU A 52 -6.302 -1.953 -1.985 1.00 45.15 N ATOM 801 CA GLU A 52 -7.331 -1.249 -1.231 1.00 15.50 C ATOM 802 C GLU A 52 -8.508 -2.171 -0.925 1.00 53.40 C ATOM 803 O GLU A 52 -8.710 -3.197 -1.574 1.00 74.02 O ATOM 804 CB GLU A 52 -7.818 -0.024 -2.009 1.00 63.23 C ATOM 805 CG GLU A 52 -7.281 1.292 -1.472 1.00 25.42 C ATOM 806 CD GLU A 52 -5.820 1.206 -1.073 1.00 50.10 C ATOM 807 OE1 GLU A 52 -4.955 1.303 -1.968 1.00 44.13 O ATOM 808 OE2 GLU A 52 -5.542 1.042 0.133 1.00 34.02 O ATOM 0 H GLU A 52 -6.614 -2.320 -2.884 1.00 45.15 H new ATOM 0 HA GLU A 52 -6.893 -0.921 -0.288 1.00 15.50 H new ATOM 0 HB2 GLU A 52 -7.524 -0.127 -3.054 1.00 63.23 H new ATOM 0 HB3 GLU A 52 -8.907 0.001 -1.985 1.00 63.23 H new ATOM 0 HG2 GLU A 52 -7.402 2.066 -2.230 1.00 25.42 H new ATOM 0 HG3 GLU A 52 -7.872 1.596 -0.608 1.00 25.42 H new ATOM 815 N PRO A 53 -9.304 -1.798 0.088 1.00 2.54 N ATOM 816 CA PRO A 53 -10.474 -2.576 0.504 1.00 21.54 C ATOM 817 C PRO A 53 -11.598 -2.529 -0.525 1.00 0.51 C ATOM 818 O PRO A 53 -11.666 -3.366 -1.423 1.00 74.32 O ATOM 819 CB PRO A 53 -10.910 -1.895 1.804 1.00 25.42 C ATOM 820 CG PRO A 53 -10.404 -0.499 1.688 1.00 1.01 C ATOM 821 CD PRO A 53 -9.123 -0.586 0.906 1.00 64.21 C ATOM 0 HA PRO A 53 -10.239 -3.634 0.619 1.00 21.54 H new ATOM 0 HB2 PRO A 53 -11.994 -1.915 1.917 1.00 25.42 H new ATOM 0 HB3 PRO A 53 -10.489 -2.398 2.675 1.00 25.42 H new ATOM 0 HG2 PRO A 53 -11.129 0.138 1.180 1.00 1.01 H new ATOM 0 HG3 PRO A 53 -10.231 -0.063 2.672 1.00 1.01 H new ATOM 0 HD2 PRO A 53 -8.970 0.298 0.287 1.00 64.21 H new ATOM 0 HD3 PRO A 53 -8.257 -0.670 1.562 1.00 64.21 H new ATOM 829 N GLY A 54 -12.478 -1.541 -0.388 1.00 32.42 N ATOM 830 CA GLY A 54 -13.587 -1.403 -1.313 1.00 54.23 C ATOM 831 C GLY A 54 -13.176 -0.748 -2.617 1.00 13.20 C ATOM 832 O GLY A 54 -13.683 0.317 -2.971 1.00 62.13 O ATOM 0 H GLY A 54 -12.442 -0.834 0.347 1.00 32.42 H new ATOM 0 HA2 GLY A 54 -14.007 -2.387 -1.521 1.00 54.23 H new ATOM 0 HA3 GLY A 54 -14.375 -0.812 -0.846 1.00 54.23 H new ATOM 836 N ARG A 55 -12.254 -1.384 -3.332 1.00 73.11 N ATOM 837 CA ARG A 55 -11.773 -0.855 -4.603 1.00 12.15 C ATOM 838 C ARG A 55 -11.804 -1.929 -5.686 1.00 23.45 C ATOM 839 O ARG A 55 -12.182 -1.665 -6.826 1.00 62.20 O ATOM 840 CB ARG A 55 -10.351 -0.312 -4.448 1.00 34.14 C ATOM 841 CG ARG A 55 -10.297 1.178 -4.155 1.00 10.44 C ATOM 842 CD ARG A 55 -10.811 1.996 -5.329 1.00 51.11 C ATOM 843 NE ARG A 55 -11.767 3.017 -4.909 1.00 1.25 N ATOM 844 CZ ARG A 55 -12.472 3.757 -5.757 1.00 14.25 C ATOM 845 NH1 ARG A 55 -12.330 3.590 -7.064 1.00 54.11 N ATOM 846 NH2 ARG A 55 -13.323 4.666 -5.297 1.00 4.41 N ATOM 0 H ARG A 55 -11.825 -2.266 -3.053 1.00 73.11 H new ATOM 0 HA ARG A 55 -12.434 -0.042 -4.903 1.00 12.15 H new ATOM 0 HB2 ARG A 55 -9.851 -0.850 -3.643 1.00 34.14 H new ATOM 0 HB3 ARG A 55 -9.792 -0.515 -5.362 1.00 34.14 H new ATOM 0 HG2 ARG A 55 -10.893 1.397 -3.269 1.00 10.44 H new ATOM 0 HG3 ARG A 55 -9.271 1.469 -3.929 1.00 10.44 H new ATOM 0 HD2 ARG A 55 -9.971 2.472 -5.834 1.00 51.11 H new ATOM 0 HD3 ARG A 55 -11.284 1.333 -6.053 1.00 51.11 H new ATOM 0 HE ARG A 55 -11.901 3.170 -3.909 1.00 1.25 H new ATOM 0 HH11 ARG A 55 -11.678 2.892 -7.421 1.00 54.11 H new ATOM 0 HH12 ARG A 55 -12.873 4.160 -7.713 1.00 54.11 H new ATOM 0 HH21 ARG A 55 -13.436 4.796 -4.292 1.00 4.41 H new ATOM 0 HH22 ARG A 55 -13.864 5.234 -5.949 1.00 4.41 H new ATOM 860 N GLY A 56 -11.402 -3.143 -5.320 1.00 20.04 N ATOM 861 CA GLY A 56 -11.390 -4.239 -6.271 1.00 53.21 C ATOM 862 C GLY A 56 -12.456 -5.275 -5.975 1.00 54.12 C ATOM 863 O GLY A 56 -12.832 -5.478 -4.821 1.00 43.42 O ATOM 0 H GLY A 56 -11.085 -3.386 -4.382 1.00 20.04 H new ATOM 0 HA2 GLY A 56 -11.540 -3.845 -7.276 1.00 53.21 H new ATOM 0 HA3 GLY A 56 -10.410 -4.716 -6.258 1.00 53.21 H new ATOM 867 N GLY A 57 -12.947 -5.932 -7.021 1.00 75.35 N ATOM 868 CA GLY A 57 -13.974 -6.944 -6.847 1.00 45.42 C ATOM 869 C GLY A 57 -13.628 -7.938 -5.757 1.00 32.05 C ATOM 870 O GLY A 57 -14.375 -8.096 -4.790 1.00 42.23 O ATOM 0 H GLY A 57 -12.652 -5.782 -7.986 1.00 75.35 H new ATOM 0 HA2 GLY A 57 -14.920 -6.460 -6.606 1.00 45.42 H new ATOM 0 HA3 GLY A 57 -14.119 -7.476 -7.787 1.00 45.42 H new ATOM 874 N LYS A 58 -12.494 -8.613 -5.911 1.00 1.43 N ATOM 875 CA LYS A 58 -12.050 -9.598 -4.932 1.00 11.11 C ATOM 876 C LYS A 58 -11.669 -8.925 -3.617 1.00 35.22 C ATOM 877 O LYS A 58 -11.484 -9.591 -2.599 1.00 2.30 O ATOM 878 CB LYS A 58 -10.858 -10.387 -5.477 1.00 23.40 C ATOM 879 CG LYS A 58 -11.088 -10.954 -6.867 1.00 61.22 C ATOM 880 CD LYS A 58 -12.207 -11.982 -6.872 1.00 50.01 C ATOM 881 CE LYS A 58 -13.167 -11.756 -8.030 1.00 44.53 C ATOM 882 NZ LYS A 58 -14.381 -12.611 -7.920 1.00 44.11 N ATOM 0 H LYS A 58 -11.865 -8.496 -6.705 1.00 1.43 H new ATOM 0 HA LYS A 58 -12.876 -10.283 -4.743 1.00 11.11 H new ATOM 0 HB2 LYS A 58 -9.983 -9.738 -5.499 1.00 23.40 H new ATOM 0 HB3 LYS A 58 -10.631 -11.205 -4.793 1.00 23.40 H new ATOM 0 HG2 LYS A 58 -11.333 -10.145 -7.555 1.00 61.22 H new ATOM 0 HG3 LYS A 58 -10.169 -11.414 -7.230 1.00 61.22 H new ATOM 0 HD2 LYS A 58 -11.782 -12.983 -6.941 1.00 50.01 H new ATOM 0 HD3 LYS A 58 -12.753 -11.931 -5.930 1.00 50.01 H new ATOM 0 HE2 LYS A 58 -13.463 -10.707 -8.057 1.00 44.53 H new ATOM 0 HE3 LYS A 58 -12.658 -11.968 -8.970 1.00 44.53 H new ATOM 0 HZ1 LYS A 58 -15.010 -12.427 -8.728 1.00 44.11 H new ATOM 0 HZ2 LYS A 58 -14.101 -13.613 -7.920 1.00 44.11 H new ATOM 0 HZ3 LYS A 58 -14.881 -12.391 -7.035 1.00 44.11 H new ATOM 896 N GLY A 59 -11.556 -7.601 -3.646 1.00 13.33 N ATOM 897 CA GLY A 59 -11.200 -6.860 -2.449 1.00 61.44 C ATOM 898 C GLY A 59 -9.967 -6.001 -2.645 1.00 40.35 C ATOM 899 O GLY A 59 -10.055 -4.794 -2.873 1.00 12.12 O ATOM 0 H GLY A 59 -11.704 -7.028 -4.477 1.00 13.33 H new ATOM 0 HA2 GLY A 59 -12.037 -6.227 -2.155 1.00 61.44 H new ATOM 0 HA3 GLY A 59 -11.026 -7.559 -1.631 1.00 61.44 H new ATOM 903 N PRO A 60 -8.784 -6.626 -2.556 1.00 30.53 N ATOM 904 CA PRO A 60 -7.505 -5.929 -2.721 1.00 31.34 C ATOM 905 C PRO A 60 -7.270 -5.482 -4.159 1.00 50.13 C ATOM 906 O PRO A 60 -7.093 -6.308 -5.054 1.00 73.10 O ATOM 907 CB PRO A 60 -6.472 -6.982 -2.312 1.00 61.34 C ATOM 908 CG PRO A 60 -7.143 -8.289 -2.563 1.00 10.52 C ATOM 909 CD PRO A 60 -8.604 -8.063 -2.287 1.00 21.10 C ATOM 0 HA PRO A 60 -7.459 -5.015 -2.129 1.00 31.34 H new ATOM 0 HB2 PRO A 60 -5.557 -6.888 -2.898 1.00 61.34 H new ATOM 0 HB3 PRO A 60 -6.192 -6.876 -1.264 1.00 61.34 H new ATOM 0 HG2 PRO A 60 -6.986 -8.618 -3.590 1.00 10.52 H new ATOM 0 HG3 PRO A 60 -6.739 -9.066 -1.915 1.00 10.52 H new ATOM 0 HD2 PRO A 60 -9.234 -8.675 -2.933 1.00 21.10 H new ATOM 0 HD3 PRO A 60 -8.862 -8.315 -1.258 1.00 21.10 H new ATOM 917 N GLN A 61 -7.269 -4.170 -4.374 1.00 21.24 N ATOM 918 CA GLN A 61 -7.055 -3.614 -5.705 1.00 34.34 C ATOM 919 C GLN A 61 -5.781 -2.778 -5.747 1.00 40.31 C ATOM 920 O GLN A 61 -5.257 -2.374 -4.709 1.00 62.34 O ATOM 921 CB GLN A 61 -8.254 -2.761 -6.122 1.00 52.30 C ATOM 922 CG GLN A 61 -8.704 -3.003 -7.554 1.00 11.42 C ATOM 923 CD GLN A 61 -9.684 -1.954 -8.043 1.00 21.14 C ATOM 924 OE1 GLN A 61 -9.636 -0.799 -7.620 1.00 54.51 O ATOM 925 NE2 GLN A 61 -10.580 -2.352 -8.938 1.00 64.44 N ATOM 0 H GLN A 61 -7.414 -3.473 -3.644 1.00 21.24 H new ATOM 0 HA GLN A 61 -6.946 -4.442 -6.405 1.00 34.34 H new ATOM 0 HB2 GLN A 61 -9.087 -2.966 -5.449 1.00 52.30 H new ATOM 0 HB3 GLN A 61 -7.999 -1.708 -6.003 1.00 52.30 H new ATOM 0 HG2 GLN A 61 -7.832 -3.013 -8.208 1.00 11.42 H new ATOM 0 HG3 GLN A 61 -9.166 -3.988 -7.624 1.00 11.42 H new ATOM 0 HE21 GLN A 61 -10.583 -3.320 -9.261 1.00 64.44 H new ATOM 0 HE22 GLN A 61 -11.265 -1.690 -9.303 1.00 64.44 H new ATOM 934 N ALA A 62 -5.288 -2.521 -6.954 1.00 65.12 N ATOM 935 CA ALA A 62 -4.075 -1.731 -7.132 1.00 35.22 C ATOM 936 C ALA A 62 -4.396 -0.242 -7.201 1.00 40.02 C ATOM 937 O ALA A 62 -4.099 0.422 -8.194 1.00 41.34 O ATOM 938 CB ALA A 62 -3.337 -2.173 -8.386 1.00 62.05 C ATOM 0 H ALA A 62 -5.710 -2.848 -7.823 1.00 65.12 H new ATOM 0 HA ALA A 62 -3.432 -1.898 -6.268 1.00 35.22 H new ATOM 0 HB1 ALA A 62 -2.434 -1.575 -8.506 1.00 62.05 H new ATOM 0 HB2 ALA A 62 -3.066 -3.225 -8.297 1.00 62.05 H new ATOM 0 HB3 ALA A 62 -3.981 -2.036 -9.255 1.00 62.05 H new ATOM 944 N LYS A 63 -5.005 0.277 -6.140 1.00 43.45 N ATOM 945 CA LYS A 63 -5.366 1.689 -6.080 1.00 23.23 C ATOM 946 C LYS A 63 -4.230 2.564 -6.600 1.00 23.13 C ATOM 947 O LYS A 63 -4.457 3.516 -7.347 1.00 32.32 O ATOM 948 CB LYS A 63 -5.713 2.086 -4.643 1.00 53.13 C ATOM 949 CG LYS A 63 -6.871 3.065 -4.546 1.00 61.30 C ATOM 950 CD LYS A 63 -6.651 4.278 -5.433 1.00 51.44 C ATOM 951 CE LYS A 63 -7.367 4.131 -6.767 1.00 34.00 C ATOM 952 NZ LYS A 63 -7.702 5.453 -7.366 1.00 63.31 N ATOM 0 H LYS A 63 -5.259 -0.259 -5.310 1.00 43.45 H new ATOM 0 HA LYS A 63 -6.239 1.843 -6.715 1.00 23.23 H new ATOM 0 HB2 LYS A 63 -5.959 1.188 -4.076 1.00 53.13 H new ATOM 0 HB3 LYS A 63 -4.834 2.528 -4.175 1.00 53.13 H new ATOM 0 HG2 LYS A 63 -7.796 2.565 -4.834 1.00 61.30 H new ATOM 0 HG3 LYS A 63 -6.991 3.387 -3.511 1.00 61.30 H new ATOM 0 HD2 LYS A 63 -7.009 5.172 -4.923 1.00 51.44 H new ATOM 0 HD3 LYS A 63 -5.583 4.415 -5.605 1.00 51.44 H new ATOM 0 HE2 LYS A 63 -6.738 3.569 -7.457 1.00 34.00 H new ATOM 0 HE3 LYS A 63 -8.281 3.554 -6.627 1.00 34.00 H new ATOM 0 HZ1 LYS A 63 -8.189 5.309 -8.274 1.00 63.31 H new ATOM 0 HZ2 LYS A 63 -8.323 5.980 -6.719 1.00 63.31 H new ATOM 0 HZ3 LYS A 63 -6.828 5.994 -7.524 1.00 63.31 H new ATOM 966 N LYS A 64 -3.006 2.235 -6.201 1.00 64.12 N ATOM 967 CA LYS A 64 -1.833 2.988 -6.629 1.00 1.53 C ATOM 968 C LYS A 64 -0.776 2.061 -7.219 1.00 64.01 C ATOM 969 O LYS A 64 -0.014 1.427 -6.489 1.00 2.12 O ATOM 970 CB LYS A 64 -1.243 3.766 -5.450 1.00 13.21 C ATOM 971 CG LYS A 64 -1.006 5.236 -5.749 1.00 4.20 C ATOM 972 CD LYS A 64 -2.314 5.991 -5.909 1.00 54.50 C ATOM 973 CE LYS A 64 -3.083 6.058 -4.598 1.00 51.33 C ATOM 974 NZ LYS A 64 -4.185 7.059 -4.652 1.00 23.02 N ATOM 0 H LYS A 64 -2.801 1.451 -5.581 1.00 64.12 H new ATOM 0 HA LYS A 64 -2.146 3.691 -7.401 1.00 1.53 H new ATOM 0 HB2 LYS A 64 -1.916 3.681 -4.597 1.00 13.21 H new ATOM 0 HB3 LYS A 64 -0.299 3.306 -5.158 1.00 13.21 H new ATOM 0 HG2 LYS A 64 -0.423 5.683 -4.943 1.00 4.20 H new ATOM 0 HG3 LYS A 64 -0.416 5.332 -6.660 1.00 4.20 H new ATOM 0 HD2 LYS A 64 -2.111 7.001 -6.265 1.00 54.50 H new ATOM 0 HD3 LYS A 64 -2.927 5.503 -6.667 1.00 54.50 H new ATOM 0 HE2 LYS A 64 -3.496 5.076 -4.368 1.00 51.33 H new ATOM 0 HE3 LYS A 64 -2.399 6.314 -3.789 1.00 51.33 H new ATOM 0 HZ1 LYS A 64 -4.685 7.075 -3.740 1.00 23.02 H new ATOM 0 HZ2 LYS A 64 -3.789 8.001 -4.846 1.00 23.02 H new ATOM 0 HZ3 LYS A 64 -4.851 6.801 -5.408 1.00 23.02 H new ATOM 988 N VAL A 65 -0.734 1.987 -8.546 1.00 3.33 N ATOM 989 CA VAL A 65 0.232 1.139 -9.234 1.00 41.32 C ATOM 990 C VAL A 65 1.376 1.966 -9.811 1.00 71.33 C ATOM 991 O VAL A 65 1.173 3.089 -10.272 1.00 74.14 O ATOM 992 CB VAL A 65 -0.433 0.339 -10.370 1.00 42.31 C ATOM 993 CG1 VAL A 65 0.308 0.556 -11.681 1.00 11.42 C ATOM 994 CG2 VAL A 65 -0.488 -1.140 -10.018 1.00 51.41 C ATOM 0 H VAL A 65 -1.358 2.504 -9.166 1.00 3.33 H new ATOM 0 HA VAL A 65 0.628 0.444 -8.494 1.00 41.32 H new ATOM 0 HB VAL A 65 -1.455 0.698 -10.494 1.00 42.31 H new ATOM 0 HG11 VAL A 65 -0.176 -0.017 -12.472 1.00 11.42 H new ATOM 0 HG12 VAL A 65 0.291 1.615 -11.938 1.00 11.42 H new ATOM 0 HG13 VAL A 65 1.341 0.225 -11.574 1.00 11.42 H new ATOM 0 HG21 VAL A 65 -0.961 -1.690 -10.831 1.00 51.41 H new ATOM 0 HG22 VAL A 65 0.524 -1.516 -9.866 1.00 51.41 H new ATOM 0 HG23 VAL A 65 -1.067 -1.275 -9.104 1.00 51.41 H new ATOM 1004 N ARG A 66 2.579 1.402 -9.783 1.00 30.22 N ATOM 1005 CA ARG A 66 3.756 2.087 -10.303 1.00 23.23 C ATOM 1006 C ARG A 66 4.568 1.163 -11.207 1.00 14.43 C ATOM 1007 O ARG A 66 4.538 -0.057 -11.051 1.00 21.45 O ATOM 1008 CB ARG A 66 4.630 2.588 -9.152 1.00 4.42 C ATOM 1009 CG ARG A 66 3.841 3.227 -8.021 1.00 32.44 C ATOM 1010 CD ARG A 66 4.760 3.855 -6.985 1.00 51.42 C ATOM 1011 NE ARG A 66 4.032 4.281 -5.793 1.00 35.41 N ATOM 1012 CZ ARG A 66 3.252 5.355 -5.752 1.00 52.34 C ATOM 1013 NH1 ARG A 66 3.100 6.109 -6.832 1.00 51.43 N ATOM 1014 NH2 ARG A 66 2.622 5.677 -4.630 1.00 13.31 N ATOM 0 H ARG A 66 2.764 0.473 -9.406 1.00 30.22 H new ATOM 0 HA ARG A 66 3.419 2.939 -10.893 1.00 23.23 H new ATOM 0 HB2 ARG A 66 5.206 1.753 -8.755 1.00 4.42 H new ATOM 0 HB3 ARG A 66 5.345 3.313 -9.539 1.00 4.42 H new ATOM 0 HG2 ARG A 66 3.174 3.988 -8.426 1.00 32.44 H new ATOM 0 HG3 ARG A 66 3.213 2.475 -7.544 1.00 32.44 H new ATOM 0 HD2 ARG A 66 5.531 3.138 -6.702 1.00 51.42 H new ATOM 0 HD3 ARG A 66 5.269 4.713 -7.425 1.00 51.42 H new ATOM 0 HE ARG A 66 4.128 3.723 -4.945 1.00 35.41 H new ATOM 0 HH11 ARG A 66 3.583 5.865 -7.697 1.00 51.43 H new ATOM 0 HH12 ARG A 66 2.500 6.933 -6.798 1.00 51.43 H new ATOM 0 HH21 ARG A 66 2.736 5.099 -3.797 1.00 13.31 H new ATOM 0 HH22 ARG A 66 2.023 6.502 -4.600 1.00 13.31 H new ATOM 1028 N ARG A 67 5.291 1.755 -12.152 1.00 75.11 N ATOM 1029 CA ARG A 67 6.108 0.986 -13.082 1.00 63.41 C ATOM 1030 C ARG A 67 7.525 0.810 -12.544 1.00 2.34 C ATOM 1031 O ARG A 67 8.154 1.771 -12.100 1.00 43.50 O ATOM 1032 CB ARG A 67 6.152 1.675 -14.447 1.00 53.01 C ATOM 1033 CG ARG A 67 7.066 0.988 -15.448 1.00 22.32 C ATOM 1034 CD ARG A 67 6.706 1.359 -16.878 1.00 22.02 C ATOM 1035 NE ARG A 67 7.693 0.867 -17.836 1.00 35.11 N ATOM 1036 CZ ARG A 67 7.576 1.013 -19.151 1.00 71.41 C ATOM 1037 NH1 ARG A 67 6.521 1.633 -19.662 1.00 5.33 N ATOM 1038 NH2 ARG A 67 8.516 0.537 -19.958 1.00 54.44 N ATOM 0 H ARG A 67 5.327 2.764 -12.293 1.00 75.11 H new ATOM 0 HA ARG A 67 5.655 0.001 -13.194 1.00 63.41 H new ATOM 0 HB2 ARG A 67 5.143 1.714 -14.857 1.00 53.01 H new ATOM 0 HB3 ARG A 67 6.482 2.705 -14.314 1.00 53.01 H new ATOM 0 HG2 ARG A 67 8.101 1.267 -15.248 1.00 22.32 H new ATOM 0 HG3 ARG A 67 6.997 -0.093 -15.323 1.00 22.32 H new ATOM 0 HD2 ARG A 67 5.727 0.948 -17.123 1.00 22.02 H new ATOM 0 HD3 ARG A 67 6.628 2.443 -16.963 1.00 22.02 H new ATOM 0 HE ARG A 67 8.517 0.385 -17.476 1.00 35.11 H new ATOM 0 HH11 ARG A 67 5.796 1.999 -19.045 1.00 5.33 H new ATOM 0 HH12 ARG A 67 6.434 1.743 -20.672 1.00 5.33 H new ATOM 0 HH21 ARG A 67 9.328 0.059 -19.568 1.00 54.44 H new ATOM 0 HH22 ARG A 67 8.426 0.649 -20.968 1.00 54.44 H new ATOM 1052 N ILE A 68 8.020 -0.422 -12.585 1.00 62.03 N ATOM 1053 CA ILE A 68 9.362 -0.722 -12.102 1.00 62.42 C ATOM 1054 C ILE A 68 10.077 -1.695 -13.034 1.00 42.33 C ATOM 1055 O ILE A 68 10.015 -2.910 -12.847 1.00 41.14 O ATOM 1056 CB ILE A 68 9.329 -1.320 -10.683 1.00 1.30 C ATOM 1057 CG1 ILE A 68 8.661 -0.345 -9.711 1.00 40.22 C ATOM 1058 CG2 ILE A 68 10.737 -1.658 -10.218 1.00 25.12 C ATOM 1059 CD1 ILE A 68 9.645 0.471 -8.902 1.00 32.33 C ATOM 0 H ILE A 68 7.512 -1.229 -12.948 1.00 62.03 H new ATOM 0 HA ILE A 68 9.907 0.222 -12.078 1.00 62.42 H new ATOM 0 HB ILE A 68 8.744 -2.240 -10.705 1.00 1.30 H new ATOM 0 HG12 ILE A 68 8.016 0.331 -10.273 1.00 40.22 H new ATOM 0 HG13 ILE A 68 8.020 -0.905 -9.030 1.00 40.22 H new ATOM 0 HG21 ILE A 68 10.697 -2.080 -9.214 1.00 25.12 H new ATOM 0 HG22 ILE A 68 11.181 -2.384 -10.899 1.00 25.12 H new ATOM 0 HG23 ILE A 68 11.344 -0.753 -10.208 1.00 25.12 H new ATOM 0 HD11 ILE A 68 9.101 1.140 -8.235 1.00 32.33 H new ATOM 0 HD12 ILE A 68 10.274 -0.197 -8.313 1.00 32.33 H new ATOM 0 HD13 ILE A 68 10.270 1.059 -9.574 1.00 32.33 H new