USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=6 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= 0.0351 USER MOD Single : A 7 LYS NZ :NH3+ -179:sc=-0.00391 (180deg=-0.0123) USER MOD Single : A 10 ASN : amide:sc= -0.355 X(o=-0.36,f=-0.48) 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= -6.66! C(o=-6.7!,f=-10!) USER MOD Single : A 20 GLN : amide:sc= -2.44 K(o=-2.4,f=-9!) USER MOD Single : A 29 HIS : no HD1:sc= -2.22 X(o=-2.2,f=-2.3) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0438 X(o=-0.044,f=-0.071) USER MOD Single : A 46 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.14) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -1.92 K(o=-1.9,f=-2.8!) USER MOD Single : A 63 LYS NZ :NH3+ -115:sc= -0.92 (180deg=-5.43!) USER MOD Single : A 64 LYS NZ :NH3+ -170:sc=0.000157 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 2.562 -2.210 -2.298 1.00 31.12 N ATOM 19 CA LYS A 2 3.196 -3.506 -2.511 1.00 52.32 C ATOM 20 C LYS A 2 3.842 -3.574 -3.891 1.00 71.53 C ATOM 21 O LYS A 2 3.208 -3.267 -4.901 1.00 43.31 O ATOM 22 CB LYS A 2 2.169 -4.630 -2.361 1.00 33.13 C ATOM 23 CG LYS A 2 1.420 -4.597 -1.040 1.00 12.13 C ATOM 24 CD LYS A 2 2.341 -4.896 0.131 1.00 31.41 C ATOM 25 CE LYS A 2 1.584 -5.530 1.288 1.00 34.11 C ATOM 26 NZ LYS A 2 0.988 -4.505 2.189 1.00 55.23 N ATOM 0 HA LYS A 2 3.974 -3.631 -1.758 1.00 52.32 H new ATOM 0 HB2 LYS A 2 1.451 -4.566 -3.178 1.00 33.13 H new ATOM 0 HB3 LYS A 2 2.677 -5.590 -2.457 1.00 33.13 H new ATOM 0 HG2 LYS A 2 0.964 -3.617 -0.904 1.00 12.13 H new ATOM 0 HG3 LYS A 2 0.610 -5.326 -1.062 1.00 12.13 H new ATOM 0 HD2 LYS A 2 3.138 -5.565 -0.193 1.00 31.41 H new ATOM 0 HD3 LYS A 2 2.815 -3.974 0.467 1.00 31.41 H new ATOM 0 HE2 LYS A 2 0.795 -6.173 0.897 1.00 34.11 H new ATOM 0 HE3 LYS A 2 2.260 -6.166 1.859 1.00 34.11 H new ATOM 0 HZ1 LYS A 2 0.481 -4.977 2.964 1.00 55.23 H new ATOM 0 HZ2 LYS A 2 1.743 -3.907 2.582 1.00 55.23 H new ATOM 0 HZ3 LYS A 2 0.323 -3.914 1.650 1.00 55.23 H new ATOM 40 N LYS A 3 5.106 -3.981 -3.928 1.00 22.50 N ATOM 41 CA LYS A 3 5.838 -4.094 -5.184 1.00 2.10 C ATOM 42 C LYS A 3 6.081 -5.556 -5.543 1.00 75.35 C ATOM 43 O LYS A 3 6.506 -6.349 -4.705 1.00 24.41 O ATOM 44 CB LYS A 3 7.174 -3.353 -5.088 1.00 31.23 C ATOM 45 CG LYS A 3 7.042 -1.924 -4.591 1.00 44.24 C ATOM 46 CD LYS A 3 7.942 -1.664 -3.395 1.00 0.13 C ATOM 47 CE LYS A 3 8.414 -0.219 -3.356 1.00 3.42 C ATOM 48 NZ LYS A 3 7.648 0.589 -2.366 1.00 63.34 N ATOM 0 H LYS A 3 5.646 -4.238 -3.102 1.00 22.50 H new ATOM 0 HA LYS A 3 5.233 -3.641 -5.970 1.00 2.10 H new ATOM 0 HB2 LYS A 3 7.837 -3.902 -4.419 1.00 31.23 H new ATOM 0 HB3 LYS A 3 7.647 -3.345 -6.070 1.00 31.23 H new ATOM 0 HG2 LYS A 3 7.296 -1.233 -5.395 1.00 44.24 H new ATOM 0 HG3 LYS A 3 6.005 -1.727 -4.317 1.00 44.24 H new ATOM 0 HD2 LYS A 3 7.404 -1.897 -2.476 1.00 0.13 H new ATOM 0 HD3 LYS A 3 8.805 -2.329 -3.436 1.00 0.13 H new ATOM 0 HE2 LYS A 3 9.474 -0.190 -3.105 1.00 3.42 H new ATOM 0 HE3 LYS A 3 8.308 0.224 -4.346 1.00 3.42 H new ATOM 0 HZ1 LYS A 3 8.000 1.568 -2.370 1.00 63.34 H new ATOM 0 HZ2 LYS A 3 6.639 0.583 -2.619 1.00 63.34 H new ATOM 0 HZ3 LYS A 3 7.769 0.181 -1.417 1.00 63.34 H new ATOM 62 N GLY A 4 5.808 -5.906 -6.797 1.00 35.21 N ATOM 63 CA GLY A 4 6.004 -7.272 -7.245 1.00 74.51 C ATOM 64 C GLY A 4 5.905 -7.408 -8.752 1.00 23.23 C ATOM 65 O GLY A 4 5.529 -6.463 -9.445 1.00 52.32 O ATOM 0 H GLY A 4 5.455 -5.268 -7.510 1.00 35.21 H new ATOM 0 HA2 GLY A 4 6.982 -7.622 -6.915 1.00 74.51 H new ATOM 0 HA3 GLY A 4 5.260 -7.915 -6.776 1.00 74.51 H new ATOM 69 N THR A 5 6.246 -8.588 -9.262 1.00 4.43 N ATOM 70 CA THR A 5 6.198 -8.843 -10.696 1.00 33.13 C ATOM 71 C THR A 5 4.762 -9.037 -11.171 1.00 44.12 C ATOM 72 O THR A 5 3.875 -9.362 -10.383 1.00 30.45 O ATOM 73 CB THR A 5 7.024 -10.087 -11.073 1.00 72.20 C ATOM 74 OG1 THR A 5 6.884 -11.093 -10.064 1.00 34.14 O ATOM 75 CG2 THR A 5 8.493 -9.731 -11.240 1.00 42.22 C ATOM 0 H THR A 5 6.558 -9.382 -8.703 1.00 4.43 H new ATOM 0 HA THR A 5 6.626 -7.969 -11.188 1.00 33.13 H new ATOM 0 HB THR A 5 6.649 -10.470 -12.022 1.00 72.20 H new ATOM 0 HG1 THR A 5 7.411 -11.881 -10.312 1.00 34.14 H new ATOM 0 HG21 THR A 5 9.056 -10.625 -11.506 1.00 42.22 H new ATOM 0 HG22 THR A 5 8.600 -8.987 -12.029 1.00 42.22 H new ATOM 0 HG23 THR A 5 8.878 -9.325 -10.304 1.00 42.22 H new ATOM 83 N VAL A 6 4.541 -8.835 -12.466 1.00 74.43 N ATOM 84 CA VAL A 6 3.212 -8.990 -13.048 1.00 4.14 C ATOM 85 C VAL A 6 3.084 -10.322 -13.778 1.00 51.44 C ATOM 86 O VAL A 6 3.975 -10.720 -14.529 1.00 2.42 O ATOM 87 CB VAL A 6 2.892 -7.846 -14.028 1.00 3.10 C ATOM 88 CG1 VAL A 6 3.751 -7.958 -15.279 1.00 34.43 C ATOM 89 CG2 VAL A 6 1.413 -7.848 -14.384 1.00 64.33 C ATOM 0 H VAL A 6 5.264 -8.564 -13.132 1.00 74.43 H new ATOM 0 HA VAL A 6 2.500 -8.962 -12.224 1.00 4.14 H new ATOM 0 HB VAL A 6 3.124 -6.898 -13.542 1.00 3.10 H new ATOM 0 HG11 VAL A 6 3.511 -7.141 -15.960 1.00 34.43 H new ATOM 0 HG12 VAL A 6 4.804 -7.903 -15.003 1.00 34.43 H new ATOM 0 HG13 VAL A 6 3.554 -8.910 -15.771 1.00 34.43 H new ATOM 0 HG21 VAL A 6 1.205 -7.033 -15.077 1.00 64.33 H new ATOM 0 HG22 VAL A 6 1.153 -8.798 -14.851 1.00 64.33 H new ATOM 0 HG23 VAL A 6 0.821 -7.715 -13.479 1.00 64.33 H new ATOM 99 N LYS A 7 1.968 -11.008 -13.555 1.00 1.42 N ATOM 100 CA LYS A 7 1.720 -12.295 -14.193 1.00 10.12 C ATOM 101 C LYS A 7 1.153 -12.106 -15.596 1.00 73.31 C ATOM 102 O LYS A 7 1.476 -12.862 -16.513 1.00 13.13 O ATOM 103 CB LYS A 7 0.753 -13.128 -13.348 1.00 62.02 C ATOM 104 CG LYS A 7 1.184 -14.575 -13.180 1.00 51.13 C ATOM 105 CD LYS A 7 1.046 -15.034 -11.738 1.00 42.14 C ATOM 106 CE LYS A 7 -0.412 -15.104 -11.313 1.00 13.45 C ATOM 107 NZ LYS A 7 -1.040 -16.399 -11.694 1.00 31.14 N ATOM 0 H LYS A 7 1.220 -10.693 -12.937 1.00 1.42 H new ATOM 0 HA LYS A 7 2.670 -12.823 -14.273 1.00 10.12 H new ATOM 0 HB2 LYS A 7 0.656 -12.670 -12.364 1.00 62.02 H new ATOM 0 HB3 LYS A 7 -0.234 -13.103 -13.810 1.00 62.02 H new ATOM 0 HG2 LYS A 7 0.580 -15.213 -13.825 1.00 51.13 H new ATOM 0 HG3 LYS A 7 2.220 -14.687 -13.501 1.00 51.13 H new ATOM 0 HD2 LYS A 7 1.508 -16.015 -11.621 1.00 42.14 H new ATOM 0 HD3 LYS A 7 1.584 -14.348 -11.084 1.00 42.14 H new ATOM 0 HE2 LYS A 7 -0.482 -14.970 -10.234 1.00 13.45 H new ATOM 0 HE3 LYS A 7 -0.964 -14.284 -11.772 1.00 13.45 H new ATOM 0 HZ1 LYS A 7 -2.038 -16.400 -11.402 1.00 31.14 H new ATOM 0 HZ2 LYS A 7 -0.981 -16.523 -12.725 1.00 31.14 H new ATOM 0 HZ3 LYS A 7 -0.540 -17.179 -11.222 1.00 31.14 H new ATOM 121 N TRP A 8 0.308 -11.094 -15.757 1.00 21.25 N ATOM 122 CA TRP A 8 -0.303 -10.806 -17.049 1.00 65.04 C ATOM 123 C TRP A 8 -1.030 -9.466 -17.021 1.00 60.44 C ATOM 124 O TRP A 8 -1.626 -9.094 -16.011 1.00 14.12 O ATOM 125 CB TRP A 8 -1.276 -11.921 -17.437 1.00 4.23 C ATOM 126 CG TRP A 8 -2.537 -11.916 -16.627 1.00 22.31 C ATOM 127 CD1 TRP A 8 -3.568 -11.026 -16.722 1.00 34.44 C ATOM 128 CD2 TRP A 8 -2.898 -12.844 -15.598 1.00 61.21 C ATOM 129 NE1 TRP A 8 -4.549 -11.345 -15.814 1.00 32.34 N ATOM 130 CE2 TRP A 8 -4.162 -12.457 -15.113 1.00 14.11 C ATOM 131 CE3 TRP A 8 -2.278 -13.966 -15.041 1.00 45.41 C ATOM 132 CZ2 TRP A 8 -4.814 -13.151 -14.097 1.00 73.44 C ATOM 133 CZ3 TRP A 8 -2.926 -14.654 -14.033 1.00 43.41 C ATOM 134 CH2 TRP A 8 -4.184 -14.245 -13.570 1.00 63.42 C ATOM 0 H TRP A 8 0.030 -10.459 -15.009 1.00 21.25 H new ATOM 0 HA TRP A 8 0.491 -10.752 -17.794 1.00 65.04 H new ATOM 0 HB2 TRP A 8 -1.530 -11.821 -18.492 1.00 4.23 H new ATOM 0 HB3 TRP A 8 -0.780 -12.884 -17.318 1.00 4.23 H new ATOM 0 HD1 TRP A 8 -3.607 -10.194 -17.409 1.00 34.44 H new ATOM 0 HE1 TRP A 8 -5.423 -10.836 -15.683 1.00 32.34 H new ATOM 0 HE3 TRP A 8 -1.309 -14.290 -15.392 1.00 45.41 H new ATOM 0 HZ2 TRP A 8 -5.783 -12.837 -13.738 1.00 73.44 H new ATOM 0 HZ3 TRP A 8 -2.455 -15.521 -13.595 1.00 43.41 H new ATOM 0 HH2 TRP A 8 -4.666 -14.805 -12.782 1.00 63.42 H new ATOM 145 N PHE A 9 -0.977 -8.746 -18.137 1.00 12.23 N ATOM 146 CA PHE A 9 -1.631 -7.446 -18.239 1.00 70.40 C ATOM 147 C PHE A 9 -2.336 -7.296 -19.584 1.00 64.42 C ATOM 148 O PHE A 9 -1.699 -7.040 -20.605 1.00 1.10 O ATOM 149 CB PHE A 9 -0.609 -6.322 -18.058 1.00 13.14 C ATOM 150 CG PHE A 9 -1.227 -4.954 -18.006 1.00 44.43 C ATOM 151 CD1 PHE A 9 -1.678 -4.428 -16.807 1.00 15.43 C ATOM 152 CD2 PHE A 9 -1.354 -4.193 -19.157 1.00 75.24 C ATOM 153 CE1 PHE A 9 -2.248 -3.169 -16.757 1.00 64.11 C ATOM 154 CE2 PHE A 9 -1.922 -2.934 -19.114 1.00 14.21 C ATOM 155 CZ PHE A 9 -2.369 -2.421 -17.912 1.00 4.22 C ATOM 0 H PHE A 9 -0.489 -9.040 -18.983 1.00 12.23 H new ATOM 0 HA PHE A 9 -2.378 -7.380 -17.448 1.00 70.40 H new ATOM 0 HB2 PHE A 9 -0.050 -6.495 -17.139 1.00 13.14 H new ATOM 0 HB3 PHE A 9 0.108 -6.357 -18.879 1.00 13.14 H new ATOM 0 HD1 PHE A 9 -1.584 -5.008 -15.901 1.00 15.43 H new ATOM 0 HD2 PHE A 9 -1.005 -4.589 -20.099 1.00 75.24 H new ATOM 0 HE1 PHE A 9 -2.598 -2.771 -15.816 1.00 64.11 H new ATOM 0 HE2 PHE A 9 -2.016 -2.352 -20.019 1.00 14.21 H new ATOM 0 HZ PHE A 9 -2.812 -1.437 -17.875 1.00 4.22 H new ATOM 165 N ASN A 10 -3.655 -7.459 -19.576 1.00 24.41 N ATOM 166 CA ASN A 10 -4.447 -7.344 -20.795 1.00 3.50 C ATOM 167 C ASN A 10 -4.783 -5.885 -21.089 1.00 1.43 C ATOM 168 O ASN A 10 -5.538 -5.251 -20.353 1.00 14.24 O ATOM 169 CB ASN A 10 -5.735 -8.160 -20.671 1.00 25.23 C ATOM 170 CG ASN A 10 -6.364 -8.456 -22.018 1.00 52.54 C ATOM 171 OD1 ASN A 10 -5.678 -8.837 -22.966 1.00 63.15 O ATOM 172 ND2 ASN A 10 -7.677 -8.280 -22.109 1.00 53.51 N ATOM 0 H ASN A 10 -4.198 -7.671 -18.739 1.00 24.41 H new ATOM 0 HA ASN A 10 -3.855 -7.737 -21.622 1.00 3.50 H new ATOM 0 HB2 ASN A 10 -5.520 -9.098 -20.160 1.00 25.23 H new ATOM 0 HB3 ASN A 10 -6.448 -7.616 -20.052 1.00 25.23 H new ATOM 0 HD21 ASN A 10 -8.156 -8.462 -22.991 1.00 53.51 H new ATOM 0 HD22 ASN A 10 -8.207 -7.963 -21.297 1.00 53.51 H new ATOM 179 N ALA A 11 -4.217 -5.359 -22.170 1.00 5.31 N ATOM 180 CA ALA A 11 -4.458 -3.976 -22.563 1.00 21.02 C ATOM 181 C ALA A 11 -5.747 -3.851 -23.367 1.00 55.01 C ATOM 182 O ALA A 11 -6.354 -2.782 -23.421 1.00 13.11 O ATOM 183 CB ALA A 11 -3.280 -3.442 -23.364 1.00 50.30 C ATOM 0 H ALA A 11 -3.588 -5.870 -22.790 1.00 5.31 H new ATOM 0 HA ALA A 11 -4.567 -3.380 -21.657 1.00 21.02 H new ATOM 0 HB1 ALA A 11 -3.474 -2.408 -23.651 1.00 50.30 H new ATOM 0 HB2 ALA A 11 -2.376 -3.487 -22.756 1.00 50.30 H new ATOM 0 HB3 ALA A 11 -3.145 -4.048 -24.260 1.00 50.30 H new ATOM 189 N GLU A 12 -6.159 -4.950 -23.991 1.00 34.20 N ATOM 190 CA GLU A 12 -7.377 -4.961 -24.794 1.00 23.42 C ATOM 191 C GLU A 12 -8.589 -4.577 -23.950 1.00 24.12 C ATOM 192 O GLU A 12 -9.479 -3.863 -24.410 1.00 54.15 O ATOM 193 CB GLU A 12 -7.592 -6.343 -25.415 1.00 64.02 C ATOM 194 CG GLU A 12 -6.922 -6.513 -26.768 1.00 42.44 C ATOM 195 CD GLU A 12 -7.401 -7.748 -27.506 1.00 23.13 C ATOM 196 OE1 GLU A 12 -7.099 -8.869 -27.045 1.00 51.21 O ATOM 197 OE2 GLU A 12 -8.078 -7.594 -28.544 1.00 2.53 O ATOM 0 H GLU A 12 -5.668 -5.843 -23.956 1.00 34.20 H new ATOM 0 HA GLU A 12 -7.263 -4.226 -25.591 1.00 23.42 H new ATOM 0 HB2 GLU A 12 -7.211 -7.102 -24.732 1.00 64.02 H new ATOM 0 HB3 GLU A 12 -8.662 -6.521 -25.524 1.00 64.02 H new ATOM 0 HG2 GLU A 12 -7.116 -5.631 -27.379 1.00 42.44 H new ATOM 0 HG3 GLU A 12 -5.843 -6.573 -26.630 1.00 42.44 H new ATOM 204 N LYS A 13 -8.615 -5.057 -22.711 1.00 14.41 N ATOM 205 CA LYS A 13 -9.716 -4.764 -21.800 1.00 71.35 C ATOM 206 C LYS A 13 -9.329 -3.667 -20.814 1.00 55.11 C ATOM 207 O LYS A 13 -10.146 -2.814 -20.469 1.00 5.52 O ATOM 208 CB LYS A 13 -10.125 -6.028 -21.040 1.00 11.42 C ATOM 209 CG LYS A 13 -10.845 -7.050 -21.902 1.00 23.52 C ATOM 210 CD LYS A 13 -12.317 -6.709 -22.062 1.00 5.55 C ATOM 211 CE LYS A 13 -13.178 -7.961 -22.108 1.00 61.20 C ATOM 212 NZ LYS A 13 -14.554 -7.708 -21.598 1.00 3.44 N ATOM 0 H LYS A 13 -7.886 -5.651 -22.315 1.00 14.41 H new ATOM 0 HA LYS A 13 -10.562 -4.413 -22.392 1.00 71.35 H new ATOM 0 HB2 LYS A 13 -9.235 -6.489 -20.612 1.00 11.42 H new ATOM 0 HB3 LYS A 13 -10.770 -5.748 -20.207 1.00 11.42 H new ATOM 0 HG2 LYS A 13 -10.373 -7.096 -22.883 1.00 23.52 H new ATOM 0 HG3 LYS A 13 -10.747 -8.039 -21.454 1.00 23.52 H new ATOM 0 HD2 LYS A 13 -12.637 -6.077 -21.234 1.00 5.55 H new ATOM 0 HD3 LYS A 13 -12.461 -6.134 -22.977 1.00 5.55 H new ATOM 0 HE2 LYS A 13 -13.232 -8.327 -23.133 1.00 61.20 H new ATOM 0 HE3 LYS A 13 -12.709 -8.746 -21.514 1.00 61.20 H new ATOM 0 HZ1 LYS A 13 -15.109 -8.586 -21.646 1.00 3.44 H new ATOM 0 HZ2 LYS A 13 -14.504 -7.383 -20.611 1.00 3.44 H new ATOM 0 HZ3 LYS A 13 -15.011 -6.977 -22.180 1.00 3.44 H new ATOM 226 N GLY A 14 -8.078 -3.695 -20.365 1.00 33.03 N ATOM 227 CA GLY A 14 -7.606 -2.697 -19.424 1.00 4.45 C ATOM 228 C GLY A 14 -7.546 -3.222 -18.003 1.00 1.52 C ATOM 229 O GLY A 14 -7.973 -2.547 -17.066 1.00 14.32 O ATOM 0 H GLY A 14 -7.383 -4.391 -20.636 1.00 33.03 H new ATOM 0 HA2 GLY A 14 -6.615 -2.358 -19.725 1.00 4.45 H new ATOM 0 HA3 GLY A 14 -8.264 -1.829 -19.460 1.00 4.45 H new ATOM 233 N TYR A 15 -7.016 -4.429 -17.842 1.00 12.13 N ATOM 234 CA TYR A 15 -6.906 -5.046 -16.525 1.00 51.12 C ATOM 235 C TYR A 15 -5.647 -5.902 -16.428 1.00 42.41 C ATOM 236 O TYR A 15 -4.975 -6.154 -17.428 1.00 35.24 O ATOM 237 CB TYR A 15 -8.141 -5.901 -16.235 1.00 2.24 C ATOM 238 CG TYR A 15 -8.155 -7.217 -16.978 1.00 65.14 C ATOM 239 CD1 TYR A 15 -7.540 -8.344 -16.447 1.00 22.23 C ATOM 240 CD2 TYR A 15 -8.781 -7.334 -18.213 1.00 11.31 C ATOM 241 CE1 TYR A 15 -7.549 -9.549 -17.123 1.00 12.11 C ATOM 242 CE2 TYR A 15 -8.797 -8.535 -18.895 1.00 43.44 C ATOM 243 CZ TYR A 15 -8.179 -9.639 -18.347 1.00 33.25 C ATOM 244 OH TYR A 15 -8.191 -10.837 -19.024 1.00 14.10 O ATOM 0 H TYR A 15 -6.656 -5.000 -18.607 1.00 12.13 H new ATOM 0 HA TYR A 15 -6.840 -4.250 -15.783 1.00 51.12 H new ATOM 0 HB2 TYR A 15 -8.193 -6.098 -15.164 1.00 2.24 H new ATOM 0 HB3 TYR A 15 -9.034 -5.335 -16.499 1.00 2.24 H new ATOM 0 HD1 TYR A 15 -7.046 -8.277 -15.489 1.00 22.23 H new ATOM 0 HD2 TYR A 15 -9.263 -6.471 -18.647 1.00 11.31 H new ATOM 0 HE1 TYR A 15 -7.066 -10.415 -16.696 1.00 12.11 H new ATOM 0 HE2 TYR A 15 -9.291 -8.609 -19.853 1.00 43.44 H new ATOM 0 HH TYR A 15 -8.676 -10.731 -19.869 1.00 14.10 H new ATOM 254 N GLY A 16 -5.333 -6.346 -15.215 1.00 10.02 N ATOM 255 CA GLY A 16 -4.156 -7.169 -15.008 1.00 21.13 C ATOM 256 C GLY A 16 -4.034 -7.657 -13.578 1.00 2.13 C ATOM 257 O GLY A 16 -4.843 -7.301 -12.721 1.00 54.43 O ATOM 0 H GLY A 16 -5.873 -6.150 -14.372 1.00 10.02 H new ATOM 0 HA2 GLY A 16 -4.194 -8.027 -15.679 1.00 21.13 H new ATOM 0 HA3 GLY A 16 -3.266 -6.597 -15.271 1.00 21.13 H new ATOM 261 N PHE A 17 -3.020 -8.476 -13.318 1.00 51.01 N ATOM 262 CA PHE A 17 -2.796 -9.016 -11.982 1.00 53.02 C ATOM 263 C PHE A 17 -1.316 -8.962 -11.615 1.00 34.04 C ATOM 264 O PHE A 17 -0.450 -9.259 -12.438 1.00 33.20 O ATOM 265 CB PHE A 17 -3.301 -10.458 -11.901 1.00 34.03 C ATOM 266 CG PHE A 17 -4.795 -10.564 -11.785 1.00 31.43 C ATOM 267 CD1 PHE A 17 -5.608 -10.307 -12.877 1.00 11.24 C ATOM 268 CD2 PHE A 17 -5.386 -10.921 -10.583 1.00 72.44 C ATOM 269 CE1 PHE A 17 -6.983 -10.404 -12.773 1.00 71.14 C ATOM 270 CE2 PHE A 17 -6.760 -11.021 -10.474 1.00 53.33 C ATOM 271 CZ PHE A 17 -7.560 -10.761 -11.570 1.00 42.42 C ATOM 0 H PHE A 17 -2.340 -8.780 -14.015 1.00 51.01 H new ATOM 0 HA PHE A 17 -3.351 -8.403 -11.271 1.00 53.02 H new ATOM 0 HB2 PHE A 17 -2.974 -10.999 -12.789 1.00 34.03 H new ATOM 0 HB3 PHE A 17 -2.842 -10.948 -11.042 1.00 34.03 H new ATOM 0 HD1 PHE A 17 -5.162 -10.028 -13.820 1.00 11.24 H new ATOM 0 HD2 PHE A 17 -4.766 -11.123 -9.722 1.00 72.44 H new ATOM 0 HE1 PHE A 17 -7.606 -10.201 -13.632 1.00 71.14 H new ATOM 0 HE2 PHE A 17 -7.208 -11.302 -9.533 1.00 53.33 H new ATOM 0 HZ PHE A 17 -8.634 -10.837 -11.486 1.00 42.42 H new ATOM 281 N ILE A 18 -1.035 -8.580 -10.373 1.00 62.34 N ATOM 282 CA ILE A 18 0.339 -8.488 -9.896 1.00 44.34 C ATOM 283 C ILE A 18 0.578 -9.429 -8.720 1.00 53.25 C ATOM 284 O ILE A 18 -0.342 -9.735 -7.963 1.00 32.53 O ATOM 285 CB ILE A 18 0.691 -7.051 -9.469 1.00 2.43 C ATOM 286 CG1 ILE A 18 0.431 -6.075 -10.618 1.00 41.13 C ATOM 287 CG2 ILE A 18 2.142 -6.972 -9.018 1.00 63.23 C ATOM 288 CD1 ILE A 18 0.094 -4.674 -10.157 1.00 74.34 C ATOM 0 H ILE A 18 -1.740 -8.330 -9.680 1.00 62.34 H new ATOM 0 HA ILE A 18 0.981 -8.780 -10.727 1.00 44.34 H new ATOM 0 HB ILE A 18 0.054 -6.772 -8.629 1.00 2.43 H new ATOM 0 HG12 ILE A 18 1.313 -6.036 -11.257 1.00 41.13 H new ATOM 0 HG13 ILE A 18 -0.388 -6.455 -11.228 1.00 41.13 H new ATOM 0 HG21 ILE A 18 2.375 -5.950 -8.719 1.00 63.23 H new ATOM 0 HG22 ILE A 18 2.297 -7.641 -8.172 1.00 63.23 H new ATOM 0 HG23 ILE A 18 2.795 -7.268 -9.839 1.00 63.23 H new ATOM 0 HD11 ILE A 18 -0.078 -4.037 -11.025 1.00 74.34 H new ATOM 0 HD12 ILE A 18 -0.806 -4.700 -9.542 1.00 74.34 H new ATOM 0 HD13 ILE A 18 0.922 -4.274 -9.572 1.00 74.34 H new ATOM 300 N GLN A 19 1.819 -9.882 -8.574 1.00 54.13 N ATOM 301 CA GLN A 19 2.178 -10.787 -7.489 1.00 71.43 C ATOM 302 C GLN A 19 3.302 -10.202 -6.641 1.00 52.40 C ATOM 303 O GLN A 19 4.406 -9.970 -7.133 1.00 10.25 O ATOM 304 CB GLN A 19 2.601 -12.146 -8.050 1.00 21.31 C ATOM 305 CG GLN A 19 1.473 -12.899 -8.737 1.00 43.13 C ATOM 306 CD GLN A 19 0.972 -12.191 -9.981 1.00 25.21 C ATOM 307 OE1 GLN A 19 1.748 -11.578 -10.715 1.00 71.32 O ATOM 308 NE2 GLN A 19 -0.330 -12.272 -10.224 1.00 74.54 N ATOM 0 H GLN A 19 2.592 -9.637 -9.193 1.00 54.13 H new ATOM 0 HA GLN A 19 1.301 -10.920 -6.855 1.00 71.43 H new ATOM 0 HB2 GLN A 19 3.414 -11.999 -8.761 1.00 21.31 H new ATOM 0 HB3 GLN A 19 2.994 -12.758 -7.238 1.00 21.31 H new ATOM 0 HG2 GLN A 19 1.818 -13.897 -9.006 1.00 43.13 H new ATOM 0 HG3 GLN A 19 0.647 -13.025 -8.038 1.00 43.13 H new ATOM 0 HE21 GLN A 19 -0.936 -12.791 -9.588 1.00 74.54 H new ATOM 0 HE22 GLN A 19 -0.725 -11.815 -11.046 1.00 74.54 H new ATOM 317 N GLN A 20 3.012 -9.965 -5.366 1.00 0.33 N ATOM 318 CA GLN A 20 3.999 -9.405 -4.450 1.00 11.31 C ATOM 319 C GLN A 20 4.573 -10.486 -3.540 1.00 75.12 C ATOM 320 O GLN A 20 4.364 -11.677 -3.769 1.00 11.01 O ATOM 321 CB GLN A 20 3.371 -8.293 -3.607 1.00 71.14 C ATOM 322 CG GLN A 20 2.275 -8.782 -2.675 1.00 34.23 C ATOM 323 CD GLN A 20 2.269 -8.051 -1.347 1.00 11.12 C ATOM 324 OE1 GLN A 20 1.238 -7.534 -0.914 1.00 25.11 O ATOM 325 NE2 GLN A 20 3.423 -8.004 -0.692 1.00 1.42 N ATOM 0 H GLN A 20 2.102 -10.152 -4.944 1.00 0.33 H new ATOM 0 HA GLN A 20 4.812 -8.987 -5.044 1.00 11.31 H new ATOM 0 HB2 GLN A 20 4.151 -7.812 -3.017 1.00 71.14 H new ATOM 0 HB3 GLN A 20 2.959 -7.533 -4.271 1.00 71.14 H new ATOM 0 HG2 GLN A 20 1.307 -8.654 -3.160 1.00 34.23 H new ATOM 0 HG3 GLN A 20 2.404 -9.850 -2.497 1.00 34.23 H new ATOM 0 HE21 GLN A 20 4.253 -8.446 -1.088 1.00 1.42 H new ATOM 0 HE22 GLN A 20 3.480 -7.526 0.207 1.00 1.42 H new ATOM 397 N VAL A 26 -3.275 -9.688 -7.253 1.00 70.34 N ATOM 398 CA VAL A 26 -4.003 -8.469 -6.925 1.00 14.31 C ATOM 399 C VAL A 26 -4.809 -7.971 -8.120 1.00 31.23 C ATOM 400 O VAL A 26 -4.437 -8.199 -9.271 1.00 52.31 O ATOM 401 CB VAL A 26 -3.049 -7.352 -6.463 1.00 23.04 C ATOM 402 CG1 VAL A 26 -2.616 -6.496 -7.643 1.00 73.13 C ATOM 403 CG2 VAL A 26 -3.707 -6.500 -5.388 1.00 51.44 C ATOM 0 HA VAL A 26 -4.683 -8.717 -6.110 1.00 14.31 H new ATOM 0 HB VAL A 26 -2.159 -7.813 -6.035 1.00 23.04 H new ATOM 0 HG11 VAL A 26 -1.942 -5.712 -7.296 1.00 73.13 H new ATOM 0 HG12 VAL A 26 -2.102 -7.119 -8.375 1.00 73.13 H new ATOM 0 HG13 VAL A 26 -3.493 -6.042 -8.105 1.00 73.13 H new ATOM 0 HG21 VAL A 26 -3.019 -5.716 -5.073 1.00 51.44 H new ATOM 0 HG22 VAL A 26 -4.615 -6.047 -5.787 1.00 51.44 H new ATOM 0 HG23 VAL A 26 -3.960 -7.126 -4.532 1.00 51.44 H new ATOM 413 N PHE A 27 -5.915 -7.290 -7.838 1.00 60.13 N ATOM 414 CA PHE A 27 -6.775 -6.760 -8.890 1.00 43.21 C ATOM 415 C PHE A 27 -6.278 -5.397 -9.363 1.00 11.31 C ATOM 416 O PHE A 27 -6.270 -4.428 -8.603 1.00 23.54 O ATOM 417 CB PHE A 27 -8.216 -6.645 -8.390 1.00 52.21 C ATOM 418 CG PHE A 27 -9.243 -6.901 -9.456 1.00 43.44 C ATOM 419 CD1 PHE A 27 -9.662 -8.191 -9.738 1.00 3.11 C ATOM 420 CD2 PHE A 27 -9.788 -5.851 -10.177 1.00 53.35 C ATOM 421 CE1 PHE A 27 -10.606 -8.430 -10.718 1.00 54.12 C ATOM 422 CE2 PHE A 27 -10.734 -6.083 -11.158 1.00 65.55 C ATOM 423 CZ PHE A 27 -11.142 -7.375 -11.430 1.00 52.41 C ATOM 0 H PHE A 27 -6.237 -7.092 -6.890 1.00 60.13 H new ATOM 0 HA PHE A 27 -6.744 -7.451 -9.733 1.00 43.21 H new ATOM 0 HB2 PHE A 27 -8.367 -7.352 -7.574 1.00 52.21 H new ATOM 0 HB3 PHE A 27 -8.371 -5.647 -7.979 1.00 52.21 H new ATOM 0 HD1 PHE A 27 -9.246 -9.020 -9.185 1.00 3.11 H new ATOM 0 HD2 PHE A 27 -9.470 -4.840 -9.970 1.00 53.35 H new ATOM 0 HE1 PHE A 27 -10.924 -9.441 -10.927 1.00 54.12 H new ATOM 0 HE2 PHE A 27 -11.154 -5.256 -11.711 1.00 65.55 H new ATOM 0 HZ PHE A 27 -11.879 -7.559 -12.198 1.00 52.41 H new ATOM 433 N VAL A 28 -5.864 -5.329 -10.624 1.00 71.23 N ATOM 434 CA VAL A 28 -5.366 -4.086 -11.200 1.00 52.40 C ATOM 435 C VAL A 28 -6.123 -3.728 -12.474 1.00 61.33 C ATOM 436 O VAL A 28 -6.504 -4.606 -13.250 1.00 11.13 O ATOM 437 CB VAL A 28 -3.862 -4.177 -11.518 1.00 21.02 C ATOM 438 CG1 VAL A 28 -3.213 -5.292 -10.712 1.00 64.04 C ATOM 439 CG2 VAL A 28 -3.645 -4.389 -13.008 1.00 43.25 C ATOM 0 H VAL A 28 -5.864 -6.121 -11.267 1.00 71.23 H new ATOM 0 HA VAL A 28 -5.525 -3.306 -10.455 1.00 52.40 H new ATOM 0 HB VAL A 28 -3.391 -3.236 -11.236 1.00 21.02 H new ATOM 0 HG11 VAL A 28 -2.150 -5.342 -10.950 1.00 64.04 H new ATOM 0 HG12 VAL A 28 -3.338 -5.092 -9.648 1.00 64.04 H new ATOM 0 HG13 VAL A 28 -3.685 -6.243 -10.960 1.00 64.04 H new ATOM 0 HG21 VAL A 28 -2.577 -4.451 -13.215 1.00 43.25 H new ATOM 0 HG22 VAL A 28 -4.129 -5.315 -13.318 1.00 43.25 H new ATOM 0 HG23 VAL A 28 -4.074 -3.553 -13.561 1.00 43.25 H new ATOM 449 N HIS A 29 -6.337 -2.434 -12.686 1.00 13.55 N ATOM 450 CA HIS A 29 -7.048 -1.959 -13.868 1.00 31.15 C ATOM 451 C HIS A 29 -6.476 -0.629 -14.348 1.00 10.20 C ATOM 452 O HIS A 29 -5.779 0.063 -13.606 1.00 10.24 O ATOM 453 CB HIS A 29 -8.539 -1.807 -13.565 1.00 51.01 C ATOM 454 CG HIS A 29 -9.358 -2.989 -13.982 1.00 35.30 C ATOM 455 ND1 HIS A 29 -10.289 -2.939 -14.998 1.00 74.30 N ATOM 456 CD2 HIS A 29 -9.382 -4.260 -13.515 1.00 5.52 C ATOM 457 CE1 HIS A 29 -10.851 -4.127 -15.137 1.00 22.14 C ATOM 458 NE2 HIS A 29 -10.317 -4.946 -14.249 1.00 32.43 N ATOM 0 H HIS A 29 -6.028 -1.695 -12.055 1.00 13.55 H new ATOM 0 HA HIS A 29 -6.919 -2.697 -14.660 1.00 31.15 H new ATOM 0 HB2 HIS A 29 -8.669 -1.644 -12.495 1.00 51.01 H new ATOM 0 HB3 HIS A 29 -8.915 -0.918 -14.071 1.00 51.01 H new ATOM 0 HD2 HIS A 29 -8.778 -4.659 -12.714 1.00 5.52 H new ATOM 0 HE1 HIS A 29 -11.616 -4.384 -15.854 1.00 22.14 H new ATOM 0 HE2 HIS A 29 -10.560 -5.929 -14.128 1.00 32.43 H new ATOM 466 N PHE A 30 -6.775 -0.277 -15.594 1.00 64.53 N ATOM 467 CA PHE A 30 -6.289 0.969 -16.175 1.00 4.05 C ATOM 468 C PHE A 30 -6.767 2.170 -15.363 1.00 72.52 C ATOM 469 O PHE A 30 -6.198 3.258 -15.448 1.00 51.42 O ATOM 470 CB PHE A 30 -6.759 1.099 -17.625 1.00 32.14 C ATOM 471 CG PHE A 30 -5.653 0.948 -18.630 1.00 12.14 C ATOM 472 CD1 PHE A 30 -5.169 -0.307 -18.964 1.00 11.55 C ATOM 473 CD2 PHE A 30 -5.098 2.061 -19.241 1.00 21.33 C ATOM 474 CE1 PHE A 30 -4.151 -0.448 -19.887 1.00 41.13 C ATOM 475 CE2 PHE A 30 -4.080 1.925 -20.166 1.00 3.54 C ATOM 476 CZ PHE A 30 -3.606 0.669 -20.490 1.00 54.30 C ATOM 0 H PHE A 30 -7.352 -0.838 -16.221 1.00 64.53 H new ATOM 0 HA PHE A 30 -5.199 0.949 -16.155 1.00 4.05 H new ATOM 0 HB2 PHE A 30 -7.522 0.345 -17.820 1.00 32.14 H new ATOM 0 HB3 PHE A 30 -7.231 2.072 -17.760 1.00 32.14 H new ATOM 0 HD1 PHE A 30 -5.592 -1.184 -18.498 1.00 11.55 H new ATOM 0 HD2 PHE A 30 -5.465 3.046 -18.992 1.00 21.33 H new ATOM 0 HE1 PHE A 30 -3.781 -1.431 -20.137 1.00 41.13 H new ATOM 0 HE2 PHE A 30 -3.656 2.800 -20.635 1.00 3.54 H new ATOM 0 HZ PHE A 30 -2.811 0.560 -21.213 1.00 54.30 H new ATOM 486 N THR A 31 -7.818 1.963 -14.576 1.00 15.11 N ATOM 487 CA THR A 31 -8.376 3.027 -13.750 1.00 43.15 C ATOM 488 C THR A 31 -7.659 3.114 -12.408 1.00 31.12 C ATOM 489 O THR A 31 -8.009 3.933 -11.559 1.00 32.24 O ATOM 490 CB THR A 31 -9.881 2.816 -13.503 1.00 54.22 C ATOM 491 OG1 THR A 31 -10.492 2.240 -14.663 1.00 32.40 O ATOM 492 CG2 THR A 31 -10.564 4.133 -13.166 1.00 11.10 C ATOM 0 H THR A 31 -8.300 1.068 -14.493 1.00 15.11 H new ATOM 0 HA THR A 31 -8.233 3.959 -14.296 1.00 43.15 H new ATOM 0 HB THR A 31 -9.996 2.138 -12.657 1.00 54.22 H new ATOM 0 HG1 THR A 31 -11.449 2.107 -14.497 1.00 32.40 H new ATOM 0 HG21 THR A 31 -11.626 3.959 -12.996 1.00 11.10 H new ATOM 0 HG22 THR A 31 -10.117 4.555 -12.266 1.00 11.10 H new ATOM 0 HG23 THR A 31 -10.439 4.830 -13.995 1.00 11.10 H new ATOM 500 N ALA A 32 -6.654 2.265 -12.223 1.00 21.51 N ATOM 501 CA ALA A 32 -5.886 2.248 -10.984 1.00 31.40 C ATOM 502 C ALA A 32 -4.415 2.551 -11.246 1.00 2.33 C ATOM 503 O ALA A 32 -3.705 3.035 -10.363 1.00 40.15 O ATOM 504 CB ALA A 32 -6.034 0.902 -10.290 1.00 20.22 C ATOM 0 H ALA A 32 -6.352 1.580 -12.916 1.00 21.51 H new ATOM 0 HA ALA A 32 -6.280 3.027 -10.331 1.00 31.40 H new ATOM 0 HB1 ALA A 32 -5.455 0.903 -9.366 1.00 20.22 H new ATOM 0 HB2 ALA A 32 -7.085 0.725 -10.060 1.00 20.22 H new ATOM 0 HB3 ALA A 32 -5.668 0.112 -10.946 1.00 20.22 H new ATOM 510 N ILE A 33 -3.963 2.264 -12.462 1.00 34.42 N ATOM 511 CA ILE A 33 -2.576 2.507 -12.838 1.00 75.45 C ATOM 512 C ILE A 33 -2.213 3.979 -12.677 1.00 23.44 C ATOM 513 O ILE A 33 -2.911 4.859 -13.179 1.00 24.12 O ATOM 514 CB ILE A 33 -2.305 2.079 -14.293 1.00 50.30 C ATOM 515 CG1 ILE A 33 -2.337 0.554 -14.414 1.00 11.30 C ATOM 516 CG2 ILE A 33 -0.966 2.625 -14.764 1.00 44.43 C ATOM 517 CD1 ILE A 33 -2.853 0.065 -15.749 1.00 61.21 C ATOM 0 H ILE A 33 -4.537 1.863 -13.204 1.00 34.42 H new ATOM 0 HA ILE A 33 -1.957 1.908 -12.170 1.00 75.45 H new ATOM 0 HB ILE A 33 -3.088 2.491 -14.929 1.00 50.30 H new ATOM 0 HG12 ILE A 33 -1.331 0.164 -14.257 1.00 11.30 H new ATOM 0 HG13 ILE A 33 -2.964 0.148 -13.620 1.00 11.30 H new ATOM 0 HG21 ILE A 33 -0.788 2.314 -15.794 1.00 44.43 H new ATOM 0 HG22 ILE A 33 -0.978 3.714 -14.710 1.00 44.43 H new ATOM 0 HG23 ILE A 33 -0.171 2.239 -14.126 1.00 44.43 H new ATOM 0 HD11 ILE A 33 -2.848 -1.025 -15.764 1.00 61.21 H new ATOM 0 HD12 ILE A 33 -3.871 0.425 -15.900 1.00 61.21 H new ATOM 0 HD13 ILE A 33 -2.213 0.442 -16.547 1.00 61.21 H new ATOM 529 N GLU A 34 -1.115 4.237 -11.974 1.00 5.44 N ATOM 530 CA GLU A 34 -0.658 5.604 -11.747 1.00 23.51 C ATOM 531 C GLU A 34 0.559 5.921 -12.612 1.00 14.10 C ATOM 532 O GLU A 34 1.698 5.699 -12.205 1.00 23.43 O ATOM 533 CB GLU A 34 -0.315 5.812 -10.270 1.00 74.02 C ATOM 534 CG GLU A 34 -1.518 5.711 -9.347 1.00 4.05 C ATOM 535 CD GLU A 34 -2.176 7.054 -9.097 1.00 3.14 C ATOM 536 OE1 GLU A 34 -1.517 7.938 -8.510 1.00 51.12 O ATOM 537 OE2 GLU A 34 -3.350 7.221 -9.488 1.00 61.31 O ATOM 0 H GLU A 34 -0.526 3.519 -11.552 1.00 5.44 H new ATOM 0 HA GLU A 34 -1.466 6.281 -12.024 1.00 23.51 H new ATOM 0 HB2 GLU A 34 0.426 5.071 -9.970 1.00 74.02 H new ATOM 0 HB3 GLU A 34 0.146 6.792 -10.147 1.00 74.02 H new ATOM 0 HG2 GLU A 34 -2.248 5.028 -9.781 1.00 4.05 H new ATOM 0 HG3 GLU A 34 -1.206 5.281 -8.395 1.00 4.05 H new ATOM 631 N LEU A 41 1.993 -2.397 -18.911 1.00 3.13 N ATOM 632 CA LEU A 41 2.826 -3.333 -18.163 1.00 15.13 C ATOM 633 C LEU A 41 3.217 -4.526 -19.029 1.00 10.21 C ATOM 634 O LEU A 41 2.554 -4.830 -20.019 1.00 72.33 O ATOM 635 CB LEU A 41 2.087 -3.816 -16.913 1.00 4.10 C ATOM 636 CG LEU A 41 1.823 -2.760 -15.839 1.00 41.33 C ATOM 637 CD1 LEU A 41 0.640 -1.887 -16.229 1.00 21.11 C ATOM 638 CD2 LEU A 41 1.580 -3.420 -14.490 1.00 73.11 C ATOM 0 HA LEU A 41 3.735 -2.813 -17.862 1.00 15.13 H new ATOM 0 HB2 LEU A 41 1.131 -4.239 -17.221 1.00 4.10 H new ATOM 0 HB3 LEU A 41 2.663 -4.625 -16.465 1.00 4.10 H new ATOM 0 HG LEU A 41 2.705 -2.125 -15.756 1.00 41.33 H new ATOM 0 HD11 LEU A 41 0.467 -1.141 -15.453 1.00 21.11 H new ATOM 0 HD12 LEU A 41 0.853 -1.386 -17.173 1.00 21.11 H new ATOM 0 HD13 LEU A 41 -0.249 -2.508 -16.341 1.00 21.11 H new ATOM 0 HD21 LEU A 41 1.394 -2.653 -13.738 1.00 73.11 H new ATOM 0 HD22 LEU A 41 0.715 -4.079 -14.558 1.00 73.11 H new ATOM 0 HD23 LEU A 41 2.457 -4.001 -14.206 1.00 73.11 H new ATOM 650 N ASN A 42 4.298 -5.199 -18.647 1.00 13.31 N ATOM 651 CA ASN A 42 4.777 -6.360 -19.388 1.00 14.11 C ATOM 652 C ASN A 42 5.004 -7.545 -18.454 1.00 43.04 C ATOM 653 O ASN A 42 5.635 -7.409 -17.407 1.00 31.44 O ATOM 654 CB ASN A 42 6.074 -6.021 -20.126 1.00 15.15 C ATOM 655 CG ASN A 42 6.050 -4.629 -20.726 1.00 40.41 C ATOM 656 OD1 ASN A 42 6.235 -3.634 -20.024 1.00 61.40 O ATOM 657 ND2 ASN A 42 5.821 -4.551 -22.032 1.00 23.50 N ATOM 0 H ASN A 42 4.858 -4.960 -17.829 1.00 13.31 H new ATOM 0 HA ASN A 42 4.014 -6.635 -20.117 1.00 14.11 H new ATOM 0 HB2 ASN A 42 6.914 -6.102 -19.436 1.00 15.15 H new ATOM 0 HB3 ASN A 42 6.240 -6.752 -20.917 1.00 15.15 H new ATOM 0 HD21 ASN A 42 5.793 -3.641 -22.491 1.00 23.50 H new ATOM 0 HD22 ASN A 42 5.673 -5.401 -22.576 1.00 23.50 H new ATOM 664 N GLU A 43 4.487 -8.706 -18.844 1.00 15.15 N ATOM 665 CA GLU A 43 4.634 -9.914 -18.041 1.00 35.41 C ATOM 666 C GLU A 43 6.098 -10.158 -17.688 1.00 70.40 C ATOM 667 O GLU A 43 6.979 -10.054 -18.540 1.00 50.33 O ATOM 668 CB GLU A 43 4.070 -11.123 -18.791 1.00 21.20 C ATOM 669 CG GLU A 43 4.245 -12.437 -18.047 1.00 53.42 C ATOM 670 CD GLU A 43 3.874 -13.640 -18.893 1.00 4.42 C ATOM 671 OE1 GLU A 43 3.157 -13.458 -19.899 1.00 61.51 O ATOM 672 OE2 GLU A 43 4.301 -14.761 -18.549 1.00 22.54 O ATOM 0 H GLU A 43 3.963 -8.835 -19.710 1.00 15.15 H new ATOM 0 HA GLU A 43 4.074 -9.775 -17.116 1.00 35.41 H new ATOM 0 HB2 GLU A 43 3.009 -10.960 -18.979 1.00 21.20 H new ATOM 0 HB3 GLU A 43 4.558 -11.197 -19.763 1.00 21.20 H new ATOM 0 HG2 GLU A 43 5.281 -12.531 -17.722 1.00 53.42 H new ATOM 0 HG3 GLU A 43 3.629 -12.426 -17.148 1.00 53.42 H new ATOM 679 N GLY A 44 6.350 -10.484 -16.424 1.00 32.04 N ATOM 680 CA GLY A 44 7.708 -10.737 -15.979 1.00 71.12 C ATOM 681 C GLY A 44 8.382 -9.493 -15.436 1.00 54.50 C ATOM 682 O GLY A 44 9.434 -9.575 -14.803 1.00 74.12 O ATOM 0 H GLY A 44 5.638 -10.577 -15.700 1.00 32.04 H new ATOM 0 HA2 GLY A 44 7.697 -11.506 -15.207 1.00 71.12 H new ATOM 0 HA3 GLY A 44 8.293 -11.129 -16.811 1.00 71.12 H new ATOM 686 N GLU A 45 7.775 -8.336 -15.685 1.00 73.33 N ATOM 687 CA GLU A 45 8.325 -7.069 -15.218 1.00 61.33 C ATOM 688 C GLU A 45 7.833 -6.748 -13.810 1.00 32.30 C ATOM 689 O GLU A 45 6.821 -7.284 -13.357 1.00 15.30 O ATOM 690 CB GLU A 45 7.942 -5.938 -16.175 1.00 11.15 C ATOM 691 CG GLU A 45 8.675 -4.635 -15.901 1.00 63.54 C ATOM 692 CD GLU A 45 9.071 -3.911 -17.173 1.00 64.34 C ATOM 693 OE1 GLU A 45 8.167 -3.511 -17.935 1.00 52.31 O ATOM 694 OE2 GLU A 45 10.287 -3.745 -17.407 1.00 21.14 O ATOM 0 H GLU A 45 6.903 -8.251 -16.207 1.00 73.33 H new ATOM 0 HA GLU A 45 9.411 -7.161 -15.192 1.00 61.33 H new ATOM 0 HB2 GLU A 45 8.148 -6.253 -17.198 1.00 11.15 H new ATOM 0 HB3 GLU A 45 6.868 -5.763 -16.106 1.00 11.15 H new ATOM 0 HG2 GLU A 45 8.040 -3.985 -15.300 1.00 63.54 H new ATOM 0 HG3 GLU A 45 9.568 -4.842 -15.312 1.00 63.54 H new ATOM 701 N HIS A 46 8.557 -5.871 -13.122 1.00 32.11 N ATOM 702 CA HIS A 46 8.194 -5.478 -11.765 1.00 25.22 C ATOM 703 C HIS A 46 7.327 -4.223 -11.776 1.00 4.22 C ATOM 704 O HIS A 46 7.558 -3.304 -12.562 1.00 13.31 O ATOM 705 CB HIS A 46 9.451 -5.237 -10.928 1.00 44.44 C ATOM 706 CG HIS A 46 10.630 -6.048 -11.371 1.00 2.32 C ATOM 707 ND1 HIS A 46 10.894 -7.315 -10.894 1.00 55.41 N ATOM 708 CD2 HIS A 46 11.618 -5.766 -12.253 1.00 34.52 C ATOM 709 CE1 HIS A 46 11.993 -7.777 -11.463 1.00 12.24 C ATOM 710 NE2 HIS A 46 12.452 -6.857 -12.292 1.00 14.32 N ATOM 0 H HIS A 46 9.398 -5.419 -13.481 1.00 32.11 H new ATOM 0 HA HIS A 46 7.620 -6.290 -11.319 1.00 25.22 H new ATOM 0 HB2 HIS A 46 9.710 -4.179 -10.973 1.00 44.44 H new ATOM 0 HB3 HIS A 46 9.233 -5.468 -9.885 1.00 44.44 H new ATOM 0 HD2 HIS A 46 11.730 -4.854 -12.820 1.00 34.52 H new ATOM 0 HE1 HIS A 46 12.440 -8.743 -11.281 1.00 12.24 H new ATOM 0 HE2 HIS A 46 13.290 -6.943 -12.868 1.00 14.32 H new ATOM 718 N VAL A 47 6.329 -4.191 -10.899 1.00 31.21 N ATOM 719 CA VAL A 47 5.428 -3.049 -10.808 1.00 15.14 C ATOM 720 C VAL A 47 4.797 -2.956 -9.423 1.00 33.12 C ATOM 721 O VAL A 47 4.465 -3.972 -8.812 1.00 43.41 O ATOM 722 CB VAL A 47 4.310 -3.130 -11.864 1.00 50.14 C ATOM 723 CG1 VAL A 47 4.900 -3.142 -13.266 1.00 63.42 C ATOM 724 CG2 VAL A 47 3.444 -4.359 -11.631 1.00 2.34 C ATOM 0 H VAL A 47 6.124 -4.943 -10.241 1.00 31.21 H new ATOM 0 HA VAL A 47 6.028 -2.158 -10.992 1.00 15.14 H new ATOM 0 HB VAL A 47 3.679 -2.246 -11.768 1.00 50.14 H new ATOM 0 HG11 VAL A 47 4.095 -3.200 -13.999 1.00 63.42 H new ATOM 0 HG12 VAL A 47 5.473 -2.229 -13.427 1.00 63.42 H new ATOM 0 HG13 VAL A 47 5.555 -4.006 -13.378 1.00 63.42 H new ATOM 0 HG21 VAL A 47 2.659 -4.400 -12.387 1.00 2.34 H new ATOM 0 HG22 VAL A 47 4.060 -5.256 -11.698 1.00 2.34 H new ATOM 0 HG23 VAL A 47 2.992 -4.303 -10.641 1.00 2.34 H new ATOM 734 N GLU A 48 4.633 -1.731 -8.934 1.00 3.32 N ATOM 735 CA GLU A 48 4.042 -1.506 -7.620 1.00 50.20 C ATOM 736 C GLU A 48 2.520 -1.435 -7.713 1.00 45.31 C ATOM 737 O GLU A 48 1.962 -1.246 -8.794 1.00 14.22 O ATOM 738 CB GLU A 48 4.587 -0.215 -7.005 1.00 20.10 C ATOM 739 CG GLU A 48 4.226 -0.040 -5.539 1.00 45.44 C ATOM 740 CD GLU A 48 5.128 0.953 -4.831 1.00 65.44 C ATOM 741 OE1 GLU A 48 6.318 1.041 -5.202 1.00 20.14 O ATOM 742 OE2 GLU A 48 4.646 1.640 -3.908 1.00 14.13 O ATOM 0 H GLU A 48 4.901 -0.880 -9.428 1.00 3.32 H new ATOM 0 HA GLU A 48 4.311 -2.346 -6.980 1.00 50.20 H new ATOM 0 HB2 GLU A 48 5.672 -0.204 -7.107 1.00 20.10 H new ATOM 0 HB3 GLU A 48 4.205 0.636 -7.569 1.00 20.10 H new ATOM 0 HG2 GLU A 48 3.192 0.294 -5.461 1.00 45.44 H new ATOM 0 HG3 GLU A 48 4.288 -1.005 -5.036 1.00 45.44 H new ATOM 749 N PHE A 49 1.856 -1.588 -6.573 1.00 30.24 N ATOM 750 CA PHE A 49 0.399 -1.543 -6.524 1.00 62.25 C ATOM 751 C PHE A 49 -0.094 -1.434 -5.085 1.00 33.33 C ATOM 752 O PHE A 49 0.297 -2.221 -4.223 1.00 53.20 O ATOM 753 CB PHE A 49 -0.193 -2.790 -7.185 1.00 42.25 C ATOM 754 CG PHE A 49 0.140 -4.065 -6.466 1.00 24.41 C ATOM 755 CD1 PHE A 49 1.327 -4.733 -6.724 1.00 50.53 C ATOM 756 CD2 PHE A 49 -0.733 -4.598 -5.531 1.00 52.44 C ATOM 757 CE1 PHE A 49 1.637 -5.906 -6.064 1.00 31.43 C ATOM 758 CE2 PHE A 49 -0.429 -5.771 -4.867 1.00 44.24 C ATOM 759 CZ PHE A 49 0.757 -6.427 -5.135 1.00 3.33 C ATOM 0 H PHE A 49 2.303 -1.744 -5.670 1.00 30.24 H new ATOM 0 HA PHE A 49 0.069 -0.659 -7.070 1.00 62.25 H new ATOM 0 HB2 PHE A 49 -1.277 -2.684 -7.237 1.00 42.25 H new ATOM 0 HB3 PHE A 49 0.171 -2.855 -8.211 1.00 42.25 H new ATOM 0 HD1 PHE A 49 2.018 -4.331 -7.450 1.00 50.53 H new ATOM 0 HD2 PHE A 49 -1.662 -4.090 -5.319 1.00 52.44 H new ATOM 0 HE1 PHE A 49 2.566 -6.415 -6.274 1.00 31.43 H new ATOM 0 HE2 PHE A 49 -1.118 -6.175 -4.139 1.00 44.24 H new ATOM 0 HZ PHE A 49 0.996 -7.345 -4.619 1.00 3.33 H new ATOM 769 N GLU A 50 -0.955 -0.453 -4.833 1.00 52.02 N ATOM 770 CA GLU A 50 -1.501 -0.240 -3.498 1.00 20.12 C ATOM 771 C GLU A 50 -2.861 -0.917 -3.351 1.00 64.45 C ATOM 772 O GLU A 50 -3.877 -0.401 -3.816 1.00 31.21 O ATOM 773 CB GLU A 50 -1.631 1.257 -3.208 1.00 62.34 C ATOM 774 CG GLU A 50 -0.393 1.863 -2.569 1.00 62.31 C ATOM 775 CD GLU A 50 -0.693 3.143 -1.814 1.00 34.44 C ATOM 776 OE1 GLU A 50 -1.732 3.192 -1.122 1.00 11.41 O ATOM 777 OE2 GLU A 50 0.109 4.094 -1.914 1.00 21.11 O ATOM 0 H GLU A 50 -1.289 0.206 -5.536 1.00 52.02 H new ATOM 0 HA GLU A 50 -0.813 -0.684 -2.778 1.00 20.12 H new ATOM 0 HB2 GLU A 50 -1.843 1.782 -4.140 1.00 62.34 H new ATOM 0 HB3 GLU A 50 -2.485 1.418 -2.550 1.00 62.34 H new ATOM 0 HG2 GLU A 50 0.050 1.138 -1.886 1.00 62.31 H new ATOM 0 HG3 GLU A 50 0.348 2.067 -3.342 1.00 62.31 H new ATOM 784 N VAL A 51 -2.870 -2.078 -2.703 1.00 14.43 N ATOM 785 CA VAL A 51 -4.104 -2.826 -2.494 1.00 21.40 C ATOM 786 C VAL A 51 -5.096 -2.029 -1.655 1.00 4.25 C ATOM 787 O VAL A 51 -4.791 -1.627 -0.532 1.00 43.43 O ATOM 788 CB VAL A 51 -3.831 -4.176 -1.803 1.00 14.53 C ATOM 789 CG1 VAL A 51 -2.911 -5.036 -2.655 1.00 1.02 C ATOM 790 CG2 VAL A 51 -3.239 -3.955 -0.419 1.00 42.31 C ATOM 0 H VAL A 51 -2.037 -2.520 -2.314 1.00 14.43 H new ATOM 0 HA VAL A 51 -4.533 -3.010 -3.479 1.00 21.40 H new ATOM 0 HB VAL A 51 -4.778 -4.704 -1.688 1.00 14.53 H new ATOM 0 HG11 VAL A 51 -2.730 -5.985 -2.151 1.00 1.02 H new ATOM 0 HG12 VAL A 51 -3.379 -5.222 -3.622 1.00 1.02 H new ATOM 0 HG13 VAL A 51 -1.964 -4.518 -2.804 1.00 1.02 H new ATOM 0 HG21 VAL A 51 -3.052 -4.919 0.055 1.00 42.31 H new ATOM 0 HG22 VAL A 51 -2.301 -3.407 -0.508 1.00 42.31 H new ATOM 0 HG23 VAL A 51 -3.939 -3.381 0.189 1.00 42.31 H new ATOM 800 N GLU A 52 -6.284 -1.804 -2.207 1.00 21.44 N ATOM 801 CA GLU A 52 -7.321 -1.054 -1.508 1.00 23.13 C ATOM 802 C GLU A 52 -8.425 -1.984 -1.013 1.00 52.30 C ATOM 803 O GLU A 52 -8.610 -3.092 -1.516 1.00 72.02 O ATOM 804 CB GLU A 52 -7.913 0.016 -2.426 1.00 55.52 C ATOM 805 CG GLU A 52 -7.535 1.434 -2.032 1.00 42.21 C ATOM 806 CD GLU A 52 -6.116 1.534 -1.505 1.00 54.00 C ATOM 807 OE1 GLU A 52 -5.235 0.830 -2.040 1.00 65.20 O ATOM 808 OE2 GLU A 52 -5.888 2.315 -0.558 1.00 53.42 O ATOM 0 H GLU A 52 -6.552 -2.130 -3.136 1.00 21.44 H new ATOM 0 HA GLU A 52 -6.865 -0.570 -0.645 1.00 23.13 H new ATOM 0 HB2 GLU A 52 -7.580 -0.169 -3.447 1.00 55.52 H new ATOM 0 HB3 GLU A 52 -8.999 -0.075 -2.423 1.00 55.52 H new ATOM 0 HG2 GLU A 52 -7.645 2.089 -2.896 1.00 42.21 H new ATOM 0 HG3 GLU A 52 -8.228 1.793 -1.271 1.00 42.21 H new ATOM 815 N PRO A 53 -9.177 -1.523 -0.002 1.00 71.03 N ATOM 816 CA PRO A 53 -10.276 -2.297 0.583 1.00 0.43 C ATOM 817 C PRO A 53 -11.461 -2.431 -0.367 1.00 11.22 C ATOM 818 O PRO A 53 -11.518 -3.355 -1.177 1.00 12.20 O ATOM 819 CB PRO A 53 -10.669 -1.478 1.816 1.00 64.03 C ATOM 820 CG PRO A 53 -10.247 -0.085 1.495 1.00 33.45 C ATOM 821 CD PRO A 53 -9.013 -0.211 0.646 1.00 22.22 C ATOM 0 HA PRO A 53 -9.978 -3.320 0.811 1.00 0.43 H new ATOM 0 HB2 PRO A 53 -11.741 -1.534 2.003 1.00 64.03 H new ATOM 0 HB3 PRO A 53 -10.170 -1.847 2.712 1.00 64.03 H new ATOM 0 HG2 PRO A 53 -11.034 0.448 0.962 1.00 33.45 H new ATOM 0 HG3 PRO A 53 -10.039 0.479 2.404 1.00 33.45 H new ATOM 0 HD2 PRO A 53 -8.945 0.593 -0.087 1.00 22.22 H new ATOM 0 HD3 PRO A 53 -8.105 -0.171 1.248 1.00 22.22 H new ATOM 829 N GLY A 54 -12.406 -1.501 -0.262 1.00 34.52 N ATOM 830 CA GLY A 54 -13.577 -1.534 -1.118 1.00 75.52 C ATOM 831 C GLY A 54 -13.332 -0.877 -2.462 1.00 11.54 C ATOM 832 O GLY A 54 -13.976 0.117 -2.801 1.00 25.25 O ATOM 0 H GLY A 54 -12.381 -0.726 0.400 1.00 34.52 H new ATOM 0 HA2 GLY A 54 -13.881 -2.569 -1.273 1.00 75.52 H new ATOM 0 HA3 GLY A 54 -14.404 -1.031 -0.617 1.00 75.52 H new ATOM 836 N ARG A 55 -12.398 -1.430 -3.228 1.00 2.11 N ATOM 837 CA ARG A 55 -12.067 -0.888 -4.540 1.00 61.45 C ATOM 838 C ARG A 55 -11.993 -1.999 -5.584 1.00 31.30 C ATOM 839 O ARG A 55 -12.463 -1.840 -6.710 1.00 33.05 O ATOM 840 CB ARG A 55 -10.736 -0.137 -4.485 1.00 4.11 C ATOM 841 CG ARG A 55 -10.525 0.816 -5.650 1.00 51.01 C ATOM 842 CD ARG A 55 -11.450 2.020 -5.559 1.00 61.24 C ATOM 843 NE ARG A 55 -11.736 2.590 -6.873 1.00 55.10 N ATOM 844 CZ ARG A 55 -12.456 1.971 -7.802 1.00 71.40 C ATOM 845 NH1 ARG A 55 -12.960 0.768 -7.562 1.00 62.25 N ATOM 846 NH2 ARG A 55 -12.674 2.555 -8.973 1.00 65.24 N ATOM 0 H ARG A 55 -11.857 -2.253 -2.963 1.00 2.11 H new ATOM 0 HA ARG A 55 -12.856 -0.194 -4.828 1.00 61.45 H new ATOM 0 HB2 ARG A 55 -10.684 0.425 -3.553 1.00 4.11 H new ATOM 0 HB3 ARG A 55 -9.921 -0.860 -4.466 1.00 4.11 H new ATOM 0 HG2 ARG A 55 -9.488 1.152 -5.663 1.00 51.01 H new ATOM 0 HG3 ARG A 55 -10.702 0.290 -6.588 1.00 51.01 H new ATOM 0 HD2 ARG A 55 -12.384 1.725 -5.081 1.00 61.24 H new ATOM 0 HD3 ARG A 55 -10.994 2.781 -4.925 1.00 61.24 H new ATOM 0 HE ARG A 55 -11.362 3.514 -7.089 1.00 55.10 H new ATOM 0 HH11 ARG A 55 -12.795 0.316 -6.663 1.00 62.25 H new ATOM 0 HH12 ARG A 55 -13.513 0.295 -8.277 1.00 62.25 H new ATOM 0 HH21 ARG A 55 -12.289 3.480 -9.161 1.00 65.24 H new ATOM 0 HH22 ARG A 55 -13.227 2.079 -9.685 1.00 65.24 H new ATOM 860 N GLY A 56 -11.398 -3.125 -5.201 1.00 73.43 N ATOM 861 CA GLY A 56 -11.273 -4.246 -6.115 1.00 50.31 C ATOM 862 C GLY A 56 -12.343 -5.297 -5.894 1.00 41.42 C ATOM 863 O GLY A 56 -12.785 -5.515 -4.767 1.00 61.11 O ATOM 0 H GLY A 56 -11.001 -3.281 -4.275 1.00 73.43 H new ATOM 0 HA2 GLY A 56 -11.332 -3.882 -7.141 1.00 50.31 H new ATOM 0 HA3 GLY A 56 -10.290 -4.702 -5.994 1.00 50.31 H new ATOM 867 N GLY A 57 -12.762 -5.949 -6.975 1.00 1.25 N ATOM 868 CA GLY A 57 -13.785 -6.973 -6.872 1.00 63.24 C ATOM 869 C GLY A 57 -13.498 -7.971 -5.768 1.00 64.12 C ATOM 870 O GLY A 57 -14.329 -8.190 -4.887 1.00 71.40 O ATOM 0 H GLY A 57 -12.411 -5.786 -7.919 1.00 1.25 H new ATOM 0 HA2 GLY A 57 -14.750 -6.501 -6.689 1.00 63.24 H new ATOM 0 HA3 GLY A 57 -13.864 -7.500 -7.823 1.00 63.24 H new ATOM 874 N LYS A 58 -12.317 -8.580 -5.815 1.00 54.31 N ATOM 875 CA LYS A 58 -11.921 -9.561 -4.812 1.00 14.22 C ATOM 876 C LYS A 58 -11.520 -8.876 -3.509 1.00 52.54 C ATOM 877 O LYS A 58 -11.304 -9.533 -2.492 1.00 13.51 O ATOM 878 CB LYS A 58 -10.761 -10.412 -5.331 1.00 44.02 C ATOM 879 CG LYS A 58 -11.162 -11.386 -6.425 1.00 75.11 C ATOM 880 CD LYS A 58 -11.574 -12.731 -5.850 1.00 61.24 C ATOM 881 CE LYS A 58 -13.087 -12.872 -5.789 1.00 52.24 C ATOM 882 NZ LYS A 58 -13.516 -14.295 -5.883 1.00 52.20 N ATOM 0 H LYS A 58 -11.618 -8.411 -6.538 1.00 54.31 H new ATOM 0 HA LYS A 58 -12.777 -10.207 -4.614 1.00 14.22 H new ATOM 0 HB2 LYS A 58 -9.980 -9.753 -5.711 1.00 44.02 H new ATOM 0 HB3 LYS A 58 -10.331 -10.970 -4.499 1.00 44.02 H new ATOM 0 HG2 LYS A 58 -11.987 -10.968 -7.002 1.00 75.11 H new ATOM 0 HG3 LYS A 58 -10.329 -11.524 -7.114 1.00 75.11 H new ATOM 0 HD2 LYS A 58 -11.157 -13.532 -6.461 1.00 61.24 H new ATOM 0 HD3 LYS A 58 -11.157 -12.843 -4.849 1.00 61.24 H new ATOM 0 HE2 LYS A 58 -13.454 -12.443 -4.857 1.00 52.24 H new ATOM 0 HE3 LYS A 58 -13.538 -12.302 -6.602 1.00 52.24 H new ATOM 0 HZ1 LYS A 58 -14.554 -14.348 -5.838 1.00 52.20 H new ATOM 0 HZ2 LYS A 58 -13.188 -14.698 -6.784 1.00 52.20 H new ATOM 0 HZ3 LYS A 58 -13.107 -14.834 -5.093 1.00 52.20 H new ATOM 896 N GLY A 59 -11.424 -7.550 -3.549 1.00 4.15 N ATOM 897 CA GLY A 59 -11.050 -6.798 -2.365 1.00 21.22 C ATOM 898 C GLY A 59 -9.833 -5.924 -2.593 1.00 41.14 C ATOM 899 O GLY A 59 -9.941 -4.716 -2.807 1.00 61.32 O ATOM 0 H GLY A 59 -11.598 -6.984 -4.379 1.00 4.15 H new ATOM 0 HA2 GLY A 59 -11.888 -6.174 -2.055 1.00 21.22 H new ATOM 0 HA3 GLY A 59 -10.848 -7.490 -1.548 1.00 21.22 H new ATOM 903 N PRO A 60 -8.641 -6.538 -2.548 1.00 13.04 N ATOM 904 CA PRO A 60 -7.376 -5.826 -2.748 1.00 23.00 C ATOM 905 C PRO A 60 -7.192 -5.364 -4.190 1.00 32.34 C ATOM 906 O PRO A 60 -7.030 -6.181 -5.096 1.00 4.12 O ATOM 907 CB PRO A 60 -6.319 -6.871 -2.383 1.00 21.53 C ATOM 908 CG PRO A 60 -6.984 -8.183 -2.622 1.00 55.44 C ATOM 909 CD PRO A 60 -8.438 -7.975 -2.297 1.00 42.23 C ATOM 0 HA PRO A 60 -7.321 -4.917 -2.149 1.00 23.00 H new ATOM 0 HB2 PRO A 60 -5.426 -6.762 -2.998 1.00 21.53 H new ATOM 0 HB3 PRO A 60 -6.005 -6.770 -1.344 1.00 21.53 H new ATOM 0 HG2 PRO A 60 -6.857 -8.502 -3.656 1.00 55.44 H new ATOM 0 HG3 PRO A 60 -6.551 -8.961 -1.993 1.00 55.44 H new ATOM 0 HD2 PRO A 60 -9.082 -8.588 -2.927 1.00 42.23 H new ATOM 0 HD3 PRO A 60 -8.660 -8.238 -1.263 1.00 42.23 H new ATOM 917 N GLN A 61 -7.219 -4.051 -4.394 1.00 31.25 N ATOM 918 CA GLN A 61 -7.056 -3.482 -5.726 1.00 62.10 C ATOM 919 C GLN A 61 -5.760 -2.684 -5.822 1.00 65.31 C ATOM 920 O GLN A 61 -5.181 -2.297 -4.807 1.00 61.34 O ATOM 921 CB GLN A 61 -8.247 -2.586 -6.070 1.00 43.03 C ATOM 922 CG GLN A 61 -8.660 -2.658 -7.532 1.00 2.25 C ATOM 923 CD GLN A 61 -9.363 -1.400 -8.002 1.00 35.14 C ATOM 924 OE1 GLN A 61 -8.873 -0.289 -7.801 1.00 12.54 O ATOM 925 NE2 GLN A 61 -10.520 -1.569 -8.632 1.00 41.21 N ATOM 0 H GLN A 61 -7.352 -3.362 -3.654 1.00 31.25 H new ATOM 0 HA GLN A 61 -7.010 -4.303 -6.441 1.00 62.10 H new ATOM 0 HB2 GLN A 61 -9.096 -2.869 -5.447 1.00 43.03 H new ATOM 0 HB3 GLN A 61 -7.999 -1.554 -5.822 1.00 43.03 H new ATOM 0 HG2 GLN A 61 -7.776 -2.827 -8.147 1.00 2.25 H new ATOM 0 HG3 GLN A 61 -9.319 -3.514 -7.678 1.00 2.25 H new ATOM 0 HE21 GLN A 61 -10.889 -2.509 -8.777 1.00 41.21 H new ATOM 0 HE22 GLN A 61 -11.039 -0.759 -8.971 1.00 41.21 H new ATOM 934 N ALA A 62 -5.309 -2.442 -7.049 1.00 20.52 N ATOM 935 CA ALA A 62 -4.082 -1.689 -7.277 1.00 60.52 C ATOM 936 C ALA A 62 -4.352 -0.189 -7.286 1.00 14.20 C ATOM 937 O ALA A 62 -4.051 0.501 -8.260 1.00 55.41 O ATOM 938 CB ALA A 62 -3.435 -2.119 -8.586 1.00 12.22 C ATOM 0 H ALA A 62 -5.775 -2.757 -7.900 1.00 20.52 H new ATOM 0 HA ALA A 62 -3.396 -1.903 -6.457 1.00 60.52 H new ATOM 0 HB1 ALA A 62 -2.520 -1.549 -8.744 1.00 12.22 H new ATOM 0 HB2 ALA A 62 -3.197 -3.182 -8.543 1.00 12.22 H new ATOM 0 HB3 ALA A 62 -4.124 -1.935 -9.410 1.00 12.22 H new ATOM 944 N LYS A 63 -4.923 0.311 -6.195 1.00 42.20 N ATOM 945 CA LYS A 63 -5.234 1.731 -6.076 1.00 21.32 C ATOM 946 C LYS A 63 -4.092 2.585 -6.616 1.00 43.30 C ATOM 947 O LYS A 63 -4.316 3.547 -7.351 1.00 0.41 O ATOM 948 CB LYS A 63 -5.509 2.093 -4.615 1.00 22.35 C ATOM 949 CG LYS A 63 -5.806 3.566 -4.399 1.00 15.44 C ATOM 950 CD LYS A 63 -6.792 4.093 -5.428 1.00 71.12 C ATOM 951 CE LYS A 63 -8.090 3.299 -5.415 1.00 4.34 C ATOM 952 NZ LYS A 63 -9.083 3.844 -6.381 1.00 13.24 N ATOM 0 H LYS A 63 -5.180 -0.246 -5.380 1.00 42.20 H new ATOM 0 HA LYS A 63 -6.127 1.933 -6.668 1.00 21.32 H new ATOM 0 HB2 LYS A 63 -6.353 1.504 -4.256 1.00 22.35 H new ATOM 0 HB3 LYS A 63 -4.646 1.813 -4.011 1.00 22.35 H new ATOM 0 HG2 LYS A 63 -6.210 3.713 -3.398 1.00 15.44 H new ATOM 0 HG3 LYS A 63 -4.879 4.137 -4.456 1.00 15.44 H new ATOM 0 HD2 LYS A 63 -7.004 5.143 -5.225 1.00 71.12 H new ATOM 0 HD3 LYS A 63 -6.344 4.044 -6.421 1.00 71.12 H new ATOM 0 HE2 LYS A 63 -7.881 2.257 -5.658 1.00 4.34 H new ATOM 0 HE3 LYS A 63 -8.514 3.313 -4.411 1.00 4.34 H new ATOM 0 HZ1 LYS A 63 -9.906 4.213 -5.862 1.00 13.24 H new ATOM 0 HZ2 LYS A 63 -8.647 4.612 -6.930 1.00 13.24 H new ATOM 0 HZ3 LYS A 63 -9.391 3.088 -7.026 1.00 13.24 H new ATOM 966 N LYS A 64 -2.866 2.227 -6.249 1.00 10.45 N ATOM 967 CA LYS A 64 -1.688 2.959 -6.698 1.00 4.00 C ATOM 968 C LYS A 64 -0.672 2.016 -7.336 1.00 12.24 C ATOM 969 O LYS A 64 0.131 1.392 -6.642 1.00 70.13 O ATOM 970 CB LYS A 64 -1.044 3.701 -5.524 1.00 60.42 C ATOM 971 CG LYS A 64 -2.038 4.473 -4.674 1.00 21.20 C ATOM 972 CD LYS A 64 -2.214 5.896 -5.176 1.00 41.10 C ATOM 973 CE LYS A 64 -3.338 5.992 -6.196 1.00 42.33 C ATOM 974 NZ LYS A 64 -3.868 7.379 -6.309 1.00 3.44 N ATOM 0 H LYS A 64 -2.663 1.434 -5.641 1.00 10.45 H new ATOM 0 HA LYS A 64 -2.006 3.684 -7.447 1.00 4.00 H new ATOM 0 HB2 LYS A 64 -0.521 2.982 -4.894 1.00 60.42 H new ATOM 0 HB3 LYS A 64 -0.294 4.392 -5.909 1.00 60.42 H new ATOM 0 HG2 LYS A 64 -3.000 3.961 -4.683 1.00 21.20 H new ATOM 0 HG3 LYS A 64 -1.696 4.491 -3.639 1.00 21.20 H new ATOM 0 HD2 LYS A 64 -2.427 6.556 -4.335 1.00 41.10 H new ATOM 0 HD3 LYS A 64 -1.283 6.242 -5.625 1.00 41.10 H new ATOM 0 HE2 LYS A 64 -2.974 5.662 -7.169 1.00 42.33 H new ATOM 0 HE3 LYS A 64 -4.145 5.317 -5.912 1.00 42.33 H new ATOM 0 HZ1 LYS A 64 -4.736 7.373 -6.881 1.00 3.44 H new ATOM 0 HZ2 LYS A 64 -4.081 7.748 -5.360 1.00 3.44 H new ATOM 0 HZ3 LYS A 64 -3.157 7.986 -6.764 1.00 3.44 H new ATOM 988 N VAL A 65 -0.713 1.919 -8.661 1.00 24.43 N ATOM 989 CA VAL A 65 0.206 1.054 -9.392 1.00 32.01 C ATOM 990 C VAL A 65 1.347 1.858 -10.006 1.00 35.14 C ATOM 991 O VAL A 65 1.142 2.965 -10.503 1.00 54.22 O ATOM 992 CB VAL A 65 -0.521 0.280 -10.508 1.00 24.10 C ATOM 993 CG1 VAL A 65 0.156 0.517 -11.850 1.00 14.13 C ATOM 994 CG2 VAL A 65 -0.569 -1.205 -10.181 1.00 71.02 C ATOM 0 H VAL A 65 -1.372 2.428 -9.250 1.00 24.43 H new ATOM 0 HA VAL A 65 0.613 0.344 -8.672 1.00 32.01 H new ATOM 0 HB VAL A 65 -1.545 0.648 -10.574 1.00 24.10 H new ATOM 0 HG11 VAL A 65 -0.371 -0.038 -12.626 1.00 14.13 H new ATOM 0 HG12 VAL A 65 0.134 1.581 -12.086 1.00 14.13 H new ATOM 0 HG13 VAL A 65 1.191 0.178 -11.801 1.00 14.13 H new ATOM 0 HG21 VAL A 65 -1.086 -1.737 -10.980 1.00 71.02 H new ATOM 0 HG22 VAL A 65 0.446 -1.590 -10.087 1.00 71.02 H new ATOM 0 HG23 VAL A 65 -1.102 -1.354 -9.242 1.00 71.02 H new ATOM 1004 N ARG A 66 2.549 1.293 -9.967 1.00 71.01 N ATOM 1005 CA ARG A 66 3.723 1.958 -10.519 1.00 23.50 C ATOM 1006 C ARG A 66 4.523 1.004 -11.401 1.00 64.32 C ATOM 1007 O ARG A 66 4.473 -0.213 -11.222 1.00 20.22 O ATOM 1008 CB ARG A 66 4.610 2.492 -9.393 1.00 33.05 C ATOM 1009 CG ARG A 66 3.838 3.216 -8.302 1.00 12.14 C ATOM 1010 CD ARG A 66 4.706 4.245 -7.594 1.00 72.11 C ATOM 1011 NE ARG A 66 3.908 5.206 -6.836 1.00 64.44 N ATOM 1012 CZ ARG A 66 4.348 6.408 -6.482 1.00 31.00 C ATOM 1013 NH1 ARG A 66 5.571 6.795 -6.815 1.00 43.25 N ATOM 1014 NH2 ARG A 66 3.563 7.226 -5.793 1.00 13.11 N ATOM 0 H ARG A 66 2.735 0.377 -9.559 1.00 71.01 H new ATOM 0 HA ARG A 66 3.382 2.793 -11.131 1.00 23.50 H new ATOM 0 HB2 ARG A 66 5.158 1.661 -8.949 1.00 33.05 H new ATOM 0 HB3 ARG A 66 5.350 3.172 -9.816 1.00 33.05 H new ATOM 0 HG2 ARG A 66 2.968 3.709 -8.736 1.00 12.14 H new ATOM 0 HG3 ARG A 66 3.465 2.492 -7.577 1.00 12.14 H new ATOM 0 HD2 ARG A 66 5.396 3.736 -6.921 1.00 72.11 H new ATOM 0 HD3 ARG A 66 5.311 4.776 -8.329 1.00 72.11 H new ATOM 0 HE ARG A 66 2.962 4.939 -6.564 1.00 64.44 H new ATOM 0 HH11 ARG A 66 6.177 6.169 -7.345 1.00 43.25 H new ATOM 0 HH12 ARG A 66 5.906 7.719 -6.542 1.00 43.25 H new ATOM 0 HH21 ARG A 66 2.621 6.932 -5.535 1.00 13.11 H new ATOM 0 HH22 ARG A 66 3.901 8.149 -5.521 1.00 13.11 H new ATOM 1028 N ARG A 67 5.260 1.565 -12.354 1.00 62.13 N ATOM 1029 CA ARG A 67 6.069 0.764 -13.265 1.00 44.54 C ATOM 1030 C ARG A 67 7.485 0.589 -12.724 1.00 20.22 C ATOM 1031 O ARG A 67 8.119 1.552 -12.291 1.00 55.02 O ATOM 1032 CB ARG A 67 6.118 1.419 -14.647 1.00 41.12 C ATOM 1033 CG ARG A 67 6.630 0.496 -15.741 1.00 34.32 C ATOM 1034 CD ARG A 67 6.659 1.194 -17.091 1.00 43.51 C ATOM 1035 NE ARG A 67 7.127 0.310 -18.155 1.00 72.10 N ATOM 1036 CZ ARG A 67 7.249 0.686 -19.423 1.00 51.31 C ATOM 1037 NH1 ARG A 67 6.940 1.924 -19.783 1.00 40.33 N ATOM 1038 NH2 ARG A 67 7.681 -0.176 -20.334 1.00 23.52 N ATOM 0 H ARG A 67 5.314 2.571 -12.515 1.00 62.13 H new ATOM 0 HA ARG A 67 5.607 -0.219 -13.352 1.00 44.54 H new ATOM 0 HB2 ARG A 67 5.118 1.763 -14.912 1.00 41.12 H new ATOM 0 HB3 ARG A 67 6.757 2.301 -14.599 1.00 41.12 H new ATOM 0 HG2 ARG A 67 7.632 0.151 -15.487 1.00 34.32 H new ATOM 0 HG3 ARG A 67 5.994 -0.387 -15.801 1.00 34.32 H new ATOM 0 HD2 ARG A 67 5.660 1.555 -17.334 1.00 43.51 H new ATOM 0 HD3 ARG A 67 7.309 2.067 -17.034 1.00 43.51 H new ATOM 0 HE ARG A 67 7.374 -0.649 -17.911 1.00 72.10 H new ATOM 0 HH11 ARG A 67 6.608 2.590 -19.086 1.00 40.33 H new ATOM 0 HH12 ARG A 67 7.035 2.210 -20.757 1.00 40.33 H new ATOM 0 HH21 ARG A 67 7.920 -1.129 -20.061 1.00 23.52 H new ATOM 0 HH22 ARG A 67 7.774 0.114 -21.307 1.00 23.52 H new ATOM 1052 N ILE A 68 7.974 -0.646 -12.750 1.00 61.45 N ATOM 1053 CA ILE A 68 9.314 -0.948 -12.263 1.00 3.52 C ATOM 1054 C ILE A 68 10.022 -1.941 -13.178 1.00 40.22 C ATOM 1055 O ILE A 68 9.948 -3.152 -12.973 1.00 23.33 O ATOM 1056 CB ILE A 68 9.278 -1.520 -10.833 1.00 51.25 C ATOM 1057 CG1 ILE A 68 8.628 -0.519 -9.876 1.00 52.33 C ATOM 1058 CG2 ILE A 68 10.683 -1.871 -10.368 1.00 0.24 C ATOM 1059 CD1 ILE A 68 9.626 0.278 -9.065 1.00 60.43 C ATOM 0 H ILE A 68 7.462 -1.454 -13.103 1.00 61.45 H new ATOM 0 HA ILE A 68 9.866 -0.008 -12.256 1.00 3.52 H new ATOM 0 HB ILE A 68 8.679 -2.431 -10.837 1.00 51.25 H new ATOM 0 HG12 ILE A 68 8.007 0.169 -10.450 1.00 52.33 H new ATOM 0 HG13 ILE A 68 7.966 -1.056 -9.196 1.00 52.33 H new ATOM 0 HG21 ILE A 68 10.641 -2.274 -9.356 1.00 0.24 H new ATOM 0 HG22 ILE A 68 11.112 -2.616 -11.038 1.00 0.24 H new ATOM 0 HG23 ILE A 68 11.304 -0.975 -10.376 1.00 0.24 H new ATOM 0 HD11 ILE A 68 9.094 0.967 -8.409 1.00 60.43 H new ATOM 0 HD12 ILE A 68 10.231 -0.401 -8.464 1.00 60.43 H new ATOM 0 HD13 ILE A 68 10.273 0.843 -9.737 1.00 60.43 H new