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+ 168:sc= -0.202 (180deg=-0.374) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0459 USER MOD Single : A 7 LYS NZ :NH3+ -109:sc= 1.76 (180deg=0.0566) USER MOD Single : A 10 ASN : amide:sc= -0.217 X(o=-0.22,f=0) 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= -7.22! K(o=-7.2!,f=-0.29) USER MOD Single : A 20 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.14) USER MOD Single : A 29 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-5.9!) USER MOD Single : A 31 THR OG1 : rot -31:sc= 0.696 USER MOD Single : A 42 ASN : amide:sc= -0.032 X(o=-0.032,f=-0.09) USER MOD Single : A 46 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.063) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -4.27 K(o=-4.3,f=-8.2!) USER MOD Single : A 63 LYS NZ :NH3+ -131:sc= -0.993 (180deg=-3.13!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 2.532 -1.838 -2.198 1.00 64.34 N ATOM 19 CA LYS A 2 3.312 -3.063 -2.339 1.00 55.34 C ATOM 20 C LYS A 2 4.067 -3.077 -3.664 1.00 62.33 C ATOM 21 O LYS A 2 3.849 -2.224 -4.525 1.00 4.13 O ATOM 22 CB LYS A 2 2.397 -4.287 -2.248 1.00 5.31 C ATOM 23 CG LYS A 2 1.427 -4.235 -1.081 1.00 21.24 C ATOM 24 CD LYS A 2 2.158 -4.141 0.248 1.00 12.23 C ATOM 25 CE LYS A 2 1.217 -4.379 1.420 1.00 43.23 C ATOM 26 NZ LYS A 2 1.923 -4.279 2.727 1.00 24.11 N ATOM 0 HA LYS A 2 4.038 -3.098 -1.527 1.00 55.34 H new ATOM 0 HB2 LYS A 2 1.832 -4.378 -3.176 1.00 5.31 H new ATOM 0 HB3 LYS A 2 3.011 -5.183 -2.160 1.00 5.31 H new ATOM 0 HG2 LYS A 2 0.765 -3.376 -1.195 1.00 21.24 H new ATOM 0 HG3 LYS A 2 0.798 -5.125 -1.089 1.00 21.24 H new ATOM 0 HD2 LYS A 2 2.965 -4.873 0.273 1.00 12.23 H new ATOM 0 HD3 LYS A 2 2.618 -3.157 0.343 1.00 12.23 H new ATOM 0 HE2 LYS A 2 0.406 -3.651 1.388 1.00 43.23 H new ATOM 0 HE3 LYS A 2 0.763 -5.366 1.327 1.00 43.23 H new ATOM 0 HZ1 LYS A 2 1.248 -4.447 3.500 1.00 24.11 H new ATOM 0 HZ2 LYS A 2 2.680 -4.991 2.768 1.00 24.11 H new ATOM 0 HZ3 LYS A 2 2.335 -3.329 2.827 1.00 24.11 H new ATOM 40 N LYS A 3 4.955 -4.053 -3.823 1.00 42.20 N ATOM 41 CA LYS A 3 5.742 -4.181 -5.044 1.00 53.01 C ATOM 42 C LYS A 3 5.939 -5.648 -5.412 1.00 43.14 C ATOM 43 O LYS A 3 6.293 -6.468 -4.567 1.00 23.15 O ATOM 44 CB LYS A 3 7.101 -3.499 -4.874 1.00 22.34 C ATOM 45 CG LYS A 3 7.010 -2.096 -4.299 1.00 23.30 C ATOM 46 CD LYS A 3 8.376 -1.572 -3.888 1.00 62.32 C ATOM 47 CE LYS A 3 9.327 -1.506 -5.073 1.00 40.45 C ATOM 48 NZ LYS A 3 10.003 -0.182 -5.169 1.00 14.13 N ATOM 0 H LYS A 3 5.148 -4.767 -3.121 1.00 42.20 H new ATOM 0 HA LYS A 3 5.197 -3.692 -5.851 1.00 53.01 H new ATOM 0 HB2 LYS A 3 7.726 -4.110 -4.222 1.00 22.34 H new ATOM 0 HB3 LYS A 3 7.599 -3.454 -5.842 1.00 22.34 H new ATOM 0 HG2 LYS A 3 6.570 -1.427 -5.038 1.00 23.30 H new ATOM 0 HG3 LYS A 3 6.345 -2.098 -3.435 1.00 23.30 H new ATOM 0 HD2 LYS A 3 8.269 -0.580 -3.450 1.00 62.32 H new ATOM 0 HD3 LYS A 3 8.798 -2.217 -3.117 1.00 62.32 H new ATOM 0 HE2 LYS A 3 10.077 -2.291 -4.980 1.00 40.45 H new ATOM 0 HE3 LYS A 3 8.775 -1.699 -5.993 1.00 40.45 H new ATOM 0 HZ1 LYS A 3 10.783 -0.240 -5.854 1.00 14.13 H new ATOM 0 HZ2 LYS A 3 9.319 0.535 -5.483 1.00 14.13 H new ATOM 0 HZ3 LYS A 3 10.380 0.084 -4.237 1.00 14.13 H new ATOM 62 N GLY A 4 5.709 -5.971 -6.682 1.00 24.24 N ATOM 63 CA GLY A 4 5.869 -7.339 -7.139 1.00 71.03 C ATOM 64 C GLY A 4 5.770 -7.461 -8.647 1.00 34.31 C ATOM 65 O GLY A 4 5.428 -6.499 -9.335 1.00 14.31 O ATOM 0 H GLY A 4 5.415 -5.310 -7.401 1.00 24.24 H new ATOM 0 HA2 GLY A 4 6.836 -7.718 -6.809 1.00 71.03 H new ATOM 0 HA3 GLY A 4 5.106 -7.965 -6.676 1.00 71.03 H new ATOM 69 N THR A 5 6.071 -8.648 -9.164 1.00 70.41 N ATOM 70 CA THR A 5 6.017 -8.893 -10.600 1.00 11.51 C ATOM 71 C THR A 5 4.576 -8.955 -11.093 1.00 51.12 C ATOM 72 O THR A 5 3.657 -9.233 -10.323 1.00 11.03 O ATOM 73 CB THR A 5 6.733 -10.204 -10.974 1.00 71.01 C ATOM 74 OG1 THR A 5 6.540 -11.179 -9.943 1.00 54.03 O ATOM 75 CG2 THR A 5 8.221 -9.968 -11.183 1.00 1.41 C ATOM 0 H THR A 5 6.355 -9.455 -8.609 1.00 70.41 H new ATOM 0 HA THR A 5 6.528 -8.059 -11.082 1.00 11.51 H new ATOM 0 HB THR A 5 6.305 -10.572 -11.907 1.00 71.01 H new ATOM 0 HG1 THR A 5 6.997 -12.010 -10.189 1.00 54.03 H new ATOM 0 HG21 THR A 5 8.705 -10.908 -11.446 1.00 1.41 H new ATOM 0 HG22 THR A 5 8.366 -9.248 -11.988 1.00 1.41 H new ATOM 0 HG23 THR A 5 8.660 -9.579 -10.265 1.00 1.41 H new ATOM 83 N VAL A 6 4.385 -8.695 -12.383 1.00 31.03 N ATOM 84 CA VAL A 6 3.055 -8.724 -12.980 1.00 11.55 C ATOM 85 C VAL A 6 2.800 -10.048 -13.690 1.00 33.00 C ATOM 86 O VAL A 6 3.628 -10.516 -14.471 1.00 61.33 O ATOM 87 CB VAL A 6 2.865 -7.570 -13.983 1.00 21.51 C ATOM 88 CG1 VAL A 6 3.799 -7.738 -15.172 1.00 10.22 C ATOM 89 CG2 VAL A 6 1.416 -7.495 -14.439 1.00 51.02 C ATOM 0 H VAL A 6 5.135 -8.462 -13.034 1.00 31.03 H new ATOM 0 HA VAL A 6 2.340 -8.609 -12.166 1.00 11.55 H new ATOM 0 HB VAL A 6 3.114 -6.633 -13.485 1.00 21.51 H new ATOM 0 HG11 VAL A 6 3.651 -6.914 -15.870 1.00 10.22 H new ATOM 0 HG12 VAL A 6 4.832 -7.739 -14.826 1.00 10.22 H new ATOM 0 HG13 VAL A 6 3.584 -8.682 -15.673 1.00 10.22 H new ATOM 0 HG21 VAL A 6 1.299 -6.675 -15.147 1.00 51.02 H new ATOM 0 HG22 VAL A 6 1.137 -8.432 -14.921 1.00 51.02 H new ATOM 0 HG23 VAL A 6 0.772 -7.324 -13.577 1.00 51.02 H new ATOM 99 N LYS A 7 1.647 -10.648 -13.414 1.00 71.41 N ATOM 100 CA LYS A 7 1.279 -11.919 -14.028 1.00 25.14 C ATOM 101 C LYS A 7 0.827 -11.716 -15.470 1.00 35.21 C ATOM 102 O LYS A 7 1.091 -12.550 -16.336 1.00 45.54 O ATOM 103 CB LYS A 7 0.167 -12.595 -13.223 1.00 10.33 C ATOM 104 CG LYS A 7 0.503 -14.011 -12.790 1.00 63.44 C ATOM 105 CD LYS A 7 0.047 -14.283 -11.367 1.00 32.22 C ATOM 106 CE LYS A 7 -1.466 -14.421 -11.283 1.00 43.32 C ATOM 107 NZ LYS A 7 -1.928 -15.755 -11.755 1.00 73.20 N ATOM 0 H LYS A 7 0.951 -10.275 -12.769 1.00 71.41 H new ATOM 0 HA LYS A 7 2.159 -12.562 -14.029 1.00 25.14 H new ATOM 0 HB2 LYS A 7 -0.046 -11.995 -12.338 1.00 10.33 H new ATOM 0 HB3 LYS A 7 -0.743 -12.614 -13.822 1.00 10.33 H new ATOM 0 HG2 LYS A 7 0.028 -14.721 -13.467 1.00 63.44 H new ATOM 0 HG3 LYS A 7 1.579 -14.169 -12.865 1.00 63.44 H new ATOM 0 HD2 LYS A 7 0.517 -15.196 -11.001 1.00 32.22 H new ATOM 0 HD3 LYS A 7 0.376 -13.472 -10.717 1.00 32.22 H new ATOM 0 HE2 LYS A 7 -1.788 -14.269 -10.253 1.00 43.32 H new ATOM 0 HE3 LYS A 7 -1.936 -13.641 -11.882 1.00 43.32 H new ATOM 0 HZ1 LYS A 7 -2.416 -15.651 -12.667 1.00 73.20 H new ATOM 0 HZ2 LYS A 7 -1.109 -16.385 -11.871 1.00 73.20 H new ATOM 0 HZ3 LYS A 7 -2.582 -16.163 -11.057 1.00 73.20 H new ATOM 121 N TRP A 8 0.144 -10.605 -15.720 1.00 5.52 N ATOM 122 CA TRP A 8 -0.344 -10.292 -17.058 1.00 63.23 C ATOM 123 C TRP A 8 -1.024 -8.928 -17.085 1.00 50.00 C ATOM 124 O TRP A 8 -1.672 -8.528 -16.118 1.00 0.43 O ATOM 125 CB TRP A 8 -1.318 -11.371 -17.533 1.00 33.32 C ATOM 126 CG TRP A 8 -2.473 -11.581 -16.600 1.00 4.20 C ATOM 127 CD1 TRP A 8 -3.493 -10.708 -16.350 1.00 22.15 C ATOM 128 CD2 TRP A 8 -2.723 -12.736 -15.793 1.00 30.34 C ATOM 129 NE1 TRP A 8 -4.362 -11.252 -15.435 1.00 14.41 N ATOM 130 CE2 TRP A 8 -3.913 -12.496 -15.078 1.00 51.54 C ATOM 131 CE3 TRP A 8 -2.059 -13.952 -15.605 1.00 13.41 C ATOM 132 CZ2 TRP A 8 -4.450 -13.425 -14.192 1.00 22.13 C ATOM 133 CZ3 TRP A 8 -2.593 -14.873 -14.724 1.00 71.13 C ATOM 134 CH2 TRP A 8 -3.779 -14.606 -14.027 1.00 71.53 C ATOM 0 H TRP A 8 -0.085 -9.906 -15.014 1.00 5.52 H new ATOM 0 HA TRP A 8 0.512 -10.263 -17.732 1.00 63.23 H new ATOM 0 HB2 TRP A 8 -1.700 -11.098 -18.517 1.00 33.32 H new ATOM 0 HB3 TRP A 8 -0.779 -12.311 -17.650 1.00 33.32 H new ATOM 0 HD1 TRP A 8 -3.601 -9.734 -16.804 1.00 22.15 H new ATOM 0 HE1 TRP A 8 -5.205 -10.802 -15.079 1.00 14.41 H new ATOM 0 HE3 TRP A 8 -1.145 -14.168 -16.139 1.00 13.41 H new ATOM 0 HZ2 TRP A 8 -5.364 -13.221 -13.654 1.00 22.13 H new ATOM 0 HZ3 TRP A 8 -2.088 -15.815 -14.570 1.00 71.13 H new ATOM 0 HH2 TRP A 8 -4.171 -15.347 -13.346 1.00 71.53 H new ATOM 145 N PHE A 9 -0.873 -8.218 -18.198 1.00 51.11 N ATOM 146 CA PHE A 9 -1.473 -6.897 -18.350 1.00 21.41 C ATOM 147 C PHE A 9 -2.331 -6.831 -19.610 1.00 33.53 C ATOM 148 O PHE A 9 -1.818 -6.660 -20.715 1.00 34.24 O ATOM 149 CB PHE A 9 -0.385 -5.823 -18.404 1.00 10.25 C ATOM 150 CG PHE A 9 -0.922 -4.422 -18.331 1.00 0.01 C ATOM 151 CD1 PHE A 9 -1.530 -3.841 -19.432 1.00 72.22 C ATOM 152 CD2 PHE A 9 -0.819 -3.686 -17.161 1.00 72.25 C ATOM 153 CE1 PHE A 9 -2.024 -2.552 -19.368 1.00 73.12 C ATOM 154 CE2 PHE A 9 -1.312 -2.397 -17.091 1.00 41.34 C ATOM 155 CZ PHE A 9 -1.916 -1.829 -18.196 1.00 72.41 C ATOM 0 H PHE A 9 -0.340 -8.535 -19.008 1.00 51.11 H new ATOM 0 HA PHE A 9 -2.112 -6.714 -17.486 1.00 21.41 H new ATOM 0 HB2 PHE A 9 0.311 -5.980 -17.580 1.00 10.25 H new ATOM 0 HB3 PHE A 9 0.183 -5.938 -19.327 1.00 10.25 H new ATOM 0 HD1 PHE A 9 -1.619 -4.402 -20.351 1.00 72.22 H new ATOM 0 HD2 PHE A 9 -0.348 -4.125 -16.294 1.00 72.25 H new ATOM 0 HE1 PHE A 9 -2.494 -2.110 -20.234 1.00 73.12 H new ATOM 0 HE2 PHE A 9 -1.225 -1.834 -16.173 1.00 41.34 H new ATOM 0 HZ PHE A 9 -2.303 -0.822 -18.144 1.00 72.41 H new ATOM 165 N ASN A 10 -3.641 -6.969 -19.434 1.00 35.43 N ATOM 166 CA ASN A 10 -4.572 -6.927 -20.556 1.00 10.22 C ATOM 167 C ASN A 10 -4.834 -5.488 -20.991 1.00 61.21 C ATOM 168 O ASN A 10 -5.571 -4.755 -20.334 1.00 14.43 O ATOM 169 CB ASN A 10 -5.890 -7.605 -20.178 1.00 74.21 C ATOM 170 CG ASN A 10 -6.221 -8.773 -21.087 1.00 24.51 C ATOM 171 OD1 ASN A 10 -6.320 -9.915 -20.637 1.00 74.22 O ATOM 172 ND2 ASN A 10 -6.392 -8.492 -22.373 1.00 63.23 N ATOM 0 H ASN A 10 -4.082 -7.111 -18.525 1.00 35.43 H new ATOM 0 HA ASN A 10 -4.121 -7.464 -21.390 1.00 10.22 H new ATOM 0 HB2 ASN A 10 -5.833 -7.955 -19.147 1.00 74.21 H new ATOM 0 HB3 ASN A 10 -6.697 -6.874 -20.222 1.00 74.21 H new ATOM 0 HD21 ASN A 10 -6.615 -9.237 -23.033 1.00 63.23 H new ATOM 0 HD22 ASN A 10 -6.300 -7.531 -22.702 1.00 63.23 H new ATOM 179 N ALA A 11 -4.225 -5.092 -22.104 1.00 23.31 N ATOM 180 CA ALA A 11 -4.394 -3.743 -22.629 1.00 2.03 C ATOM 181 C ALA A 11 -5.671 -3.631 -23.453 1.00 55.15 C ATOM 182 O ALA A 11 -6.261 -2.556 -23.557 1.00 13.10 O ATOM 183 CB ALA A 11 -3.186 -3.347 -23.466 1.00 35.12 C ATOM 0 H ALA A 11 -3.610 -5.687 -22.659 1.00 23.31 H new ATOM 0 HA ALA A 11 -4.477 -3.059 -21.785 1.00 2.03 H new ATOM 0 HB1 ALA A 11 -3.326 -2.337 -23.852 1.00 35.12 H new ATOM 0 HB2 ALA A 11 -2.289 -3.378 -22.848 1.00 35.12 H new ATOM 0 HB3 ALA A 11 -3.077 -4.042 -24.299 1.00 35.12 H new ATOM 189 N GLU A 12 -6.093 -4.748 -24.039 1.00 4.32 N ATOM 190 CA GLU A 12 -7.300 -4.773 -24.856 1.00 11.32 C ATOM 191 C GLU A 12 -8.546 -4.605 -23.991 1.00 21.44 C ATOM 192 O GLU A 12 -9.597 -4.181 -24.471 1.00 33.21 O ATOM 193 CB GLU A 12 -7.384 -6.083 -25.642 1.00 2.22 C ATOM 194 CG GLU A 12 -6.373 -6.180 -26.772 1.00 22.31 C ATOM 195 CD GLU A 12 -4.988 -6.562 -26.285 1.00 34.01 C ATOM 196 OE1 GLU A 12 -4.795 -7.738 -25.912 1.00 21.21 O ATOM 197 OE2 GLU A 12 -4.099 -5.686 -26.276 1.00 52.54 O ATOM 0 H GLU A 12 -5.617 -5.647 -23.963 1.00 4.32 H new ATOM 0 HA GLU A 12 -7.250 -3.940 -25.557 1.00 11.32 H new ATOM 0 HB2 GLU A 12 -7.233 -6.918 -24.958 1.00 2.22 H new ATOM 0 HB3 GLU A 12 -8.388 -6.186 -26.054 1.00 2.22 H new ATOM 0 HG2 GLU A 12 -6.715 -6.918 -27.498 1.00 22.31 H new ATOM 0 HG3 GLU A 12 -6.320 -5.223 -27.291 1.00 22.31 H new ATOM 204 N LYS A 13 -8.420 -4.942 -22.712 1.00 33.44 N ATOM 205 CA LYS A 13 -9.534 -4.830 -21.777 1.00 50.12 C ATOM 206 C LYS A 13 -9.289 -3.709 -20.772 1.00 34.45 C ATOM 207 O LYS A 13 -10.204 -2.965 -20.423 1.00 13.35 O ATOM 208 CB LYS A 13 -9.744 -6.154 -21.040 1.00 20.40 C ATOM 209 CG LYS A 13 -9.679 -7.372 -21.946 1.00 3.20 C ATOM 210 CD LYS A 13 -10.801 -7.365 -22.970 1.00 61.34 C ATOM 211 CE LYS A 13 -11.049 -8.756 -23.534 1.00 43.04 C ATOM 212 NZ LYS A 13 -10.358 -8.957 -24.838 1.00 63.11 N ATOM 0 H LYS A 13 -7.557 -5.295 -22.299 1.00 33.44 H new ATOM 0 HA LYS A 13 -10.432 -4.593 -22.347 1.00 50.12 H new ATOM 0 HB2 LYS A 13 -8.988 -6.250 -20.261 1.00 20.40 H new ATOM 0 HB3 LYS A 13 -10.713 -6.133 -20.542 1.00 20.40 H new ATOM 0 HG2 LYS A 13 -8.717 -7.394 -22.459 1.00 3.20 H new ATOM 0 HG3 LYS A 13 -9.740 -8.278 -21.344 1.00 3.20 H new ATOM 0 HD2 LYS A 13 -11.714 -6.990 -22.508 1.00 61.34 H new ATOM 0 HD3 LYS A 13 -10.550 -6.682 -23.781 1.00 61.34 H new ATOM 0 HE2 LYS A 13 -10.703 -9.504 -22.821 1.00 43.04 H new ATOM 0 HE3 LYS A 13 -12.120 -8.910 -23.663 1.00 43.04 H new ATOM 0 HZ1 LYS A 13 -10.552 -9.917 -25.189 1.00 63.11 H new ATOM 0 HZ2 LYS A 13 -10.706 -8.260 -25.526 1.00 63.11 H new ATOM 0 HZ3 LYS A 13 -9.333 -8.835 -24.710 1.00 63.11 H new ATOM 226 N GLY A 14 -8.048 -3.595 -20.310 1.00 44.00 N ATOM 227 CA GLY A 14 -7.705 -2.562 -19.350 1.00 52.21 C ATOM 228 C GLY A 14 -7.614 -3.094 -17.934 1.00 10.34 C ATOM 229 O GLY A 14 -8.011 -2.419 -16.983 1.00 61.31 O ATOM 0 H GLY A 14 -7.273 -4.200 -20.583 1.00 44.00 H new ATOM 0 HA2 GLY A 14 -6.751 -2.114 -19.628 1.00 52.21 H new ATOM 0 HA3 GLY A 14 -8.453 -1.770 -19.390 1.00 52.21 H new ATOM 233 N TYR A 15 -7.092 -4.307 -17.792 1.00 4.35 N ATOM 234 CA TYR A 15 -6.954 -4.931 -16.481 1.00 5.30 C ATOM 235 C TYR A 15 -5.596 -5.613 -16.343 1.00 32.50 C ATOM 236 O TYR A 15 -4.839 -5.716 -17.307 1.00 41.51 O ATOM 237 CB TYR A 15 -8.074 -5.948 -16.257 1.00 3.25 C ATOM 238 CG TYR A 15 -9.432 -5.463 -16.710 1.00 40.43 C ATOM 239 CD1 TYR A 15 -10.001 -4.319 -16.164 1.00 74.11 C ATOM 240 CD2 TYR A 15 -10.146 -6.148 -17.686 1.00 45.42 C ATOM 241 CE1 TYR A 15 -11.242 -3.873 -16.575 1.00 54.22 C ATOM 242 CE2 TYR A 15 -11.387 -5.708 -18.104 1.00 44.25 C ATOM 243 CZ TYR A 15 -11.931 -4.570 -17.546 1.00 21.33 C ATOM 244 OH TYR A 15 -13.167 -4.128 -17.959 1.00 22.21 O ATOM 0 H TYR A 15 -6.757 -4.878 -18.568 1.00 4.35 H new ATOM 0 HA TYR A 15 -7.026 -4.149 -15.725 1.00 5.30 H new ATOM 0 HB2 TYR A 15 -7.830 -6.868 -16.789 1.00 3.25 H new ATOM 0 HB3 TYR A 15 -8.121 -6.196 -15.197 1.00 3.25 H new ATOM 0 HD1 TYR A 15 -9.464 -3.769 -15.405 1.00 74.11 H new ATOM 0 HD2 TYR A 15 -9.723 -7.040 -18.125 1.00 45.42 H new ATOM 0 HE1 TYR A 15 -11.671 -2.983 -16.138 1.00 54.22 H new ATOM 0 HE2 TYR A 15 -11.928 -6.252 -18.864 1.00 44.25 H new ATOM 0 HH TYR A 15 -13.516 -4.731 -18.648 1.00 22.21 H new ATOM 254 N GLY A 16 -5.296 -6.081 -15.135 1.00 10.42 N ATOM 255 CA GLY A 16 -4.031 -6.749 -14.891 1.00 1.40 C ATOM 256 C GLY A 16 -3.968 -7.387 -13.518 1.00 23.32 C ATOM 257 O GLY A 16 -4.817 -7.128 -12.665 1.00 31.40 O ATOM 0 H GLY A 16 -5.907 -6.009 -14.321 1.00 10.42 H new ATOM 0 HA2 GLY A 16 -3.875 -7.514 -15.651 1.00 1.40 H new ATOM 0 HA3 GLY A 16 -3.218 -6.030 -14.992 1.00 1.40 H new ATOM 261 N PHE A 17 -2.960 -8.226 -13.303 1.00 24.11 N ATOM 262 CA PHE A 17 -2.790 -8.906 -12.024 1.00 73.32 C ATOM 263 C PHE A 17 -1.331 -8.871 -11.578 1.00 74.14 C ATOM 264 O PHE A 17 -0.428 -9.193 -12.350 1.00 43.24 O ATOM 265 CB PHE A 17 -3.269 -10.356 -12.126 1.00 54.21 C ATOM 266 CG PHE A 17 -4.738 -10.522 -11.861 1.00 14.30 C ATOM 267 CD1 PHE A 17 -5.677 -10.000 -12.737 1.00 31.33 C ATOM 268 CD2 PHE A 17 -5.181 -11.199 -10.736 1.00 63.54 C ATOM 269 CE1 PHE A 17 -7.029 -10.151 -12.495 1.00 14.14 C ATOM 270 CE2 PHE A 17 -6.532 -11.354 -10.489 1.00 41.42 C ATOM 271 CZ PHE A 17 -7.457 -10.829 -11.370 1.00 74.51 C ATOM 0 H PHE A 17 -2.248 -8.451 -13.998 1.00 24.11 H new ATOM 0 HA PHE A 17 -3.391 -8.383 -11.280 1.00 73.32 H new ATOM 0 HB2 PHE A 17 -3.042 -10.736 -13.122 1.00 54.21 H new ATOM 0 HB3 PHE A 17 -2.709 -10.966 -11.417 1.00 54.21 H new ATOM 0 HD1 PHE A 17 -5.348 -9.469 -13.618 1.00 31.33 H new ATOM 0 HD2 PHE A 17 -4.462 -11.611 -10.044 1.00 63.54 H new ATOM 0 HE1 PHE A 17 -7.751 -9.739 -13.185 1.00 14.14 H new ATOM 0 HE2 PHE A 17 -6.864 -11.885 -9.609 1.00 41.42 H new ATOM 0 HZ PHE A 17 -8.513 -10.948 -11.180 1.00 74.51 H new ATOM 281 N ILE A 18 -1.110 -8.478 -10.329 1.00 13.33 N ATOM 282 CA ILE A 18 0.238 -8.401 -9.780 1.00 12.33 C ATOM 283 C ILE A 18 0.395 -9.324 -8.576 1.00 71.14 C ATOM 284 O ILE A 18 -0.559 -9.561 -7.836 1.00 23.14 O ATOM 285 CB ILE A 18 0.593 -6.962 -9.359 1.00 30.52 C ATOM 286 CG1 ILE A 18 0.401 -6.002 -10.534 1.00 43.31 C ATOM 287 CG2 ILE A 18 2.023 -6.899 -8.844 1.00 21.33 C ATOM 288 CD1 ILE A 18 0.079 -4.586 -10.111 1.00 14.23 C ATOM 0 H ILE A 18 -1.847 -8.208 -9.678 1.00 13.33 H new ATOM 0 HA ILE A 18 0.919 -8.719 -10.570 1.00 12.33 H new ATOM 0 HB ILE A 18 -0.076 -6.659 -8.554 1.00 30.52 H new ATOM 0 HG12 ILE A 18 1.308 -5.995 -11.139 1.00 43.31 H new ATOM 0 HG13 ILE A 18 -0.403 -6.374 -11.169 1.00 43.31 H new ATOM 0 HG21 ILE A 18 2.259 -5.876 -8.550 1.00 21.33 H new ATOM 0 HG22 ILE A 18 2.129 -7.558 -7.982 1.00 21.33 H new ATOM 0 HG23 ILE A 18 2.707 -7.218 -9.630 1.00 21.33 H new ATOM 0 HD11 ILE A 18 -0.044 -3.961 -10.996 1.00 14.23 H new ATOM 0 HD12 ILE A 18 -0.844 -4.580 -9.532 1.00 14.23 H new ATOM 0 HD13 ILE A 18 0.893 -4.195 -9.500 1.00 14.23 H new ATOM 300 N GLN A 19 1.605 -9.841 -8.388 1.00 11.20 N ATOM 301 CA GLN A 19 1.887 -10.738 -7.273 1.00 51.53 C ATOM 302 C GLN A 19 3.060 -10.224 -6.445 1.00 13.24 C ATOM 303 O GLN A 19 4.108 -9.875 -6.986 1.00 40.24 O ATOM 304 CB GLN A 19 2.189 -12.146 -7.788 1.00 41.11 C ATOM 305 CG GLN A 19 3.384 -12.208 -8.726 1.00 52.51 C ATOM 306 CD GLN A 19 2.978 -12.342 -10.180 1.00 74.44 C ATOM 307 OE1 GLN A 19 3.585 -13.099 -10.939 1.00 41.50 O ATOM 308 NE2 GLN A 19 1.945 -11.608 -10.578 1.00 30.15 N ATOM 0 H GLN A 19 2.405 -9.654 -8.993 1.00 11.20 H new ATOM 0 HA GLN A 19 1.004 -10.774 -6.635 1.00 51.53 H new ATOM 0 HB2 GLN A 19 2.371 -12.804 -6.938 1.00 41.11 H new ATOM 0 HB3 GLN A 19 1.311 -12.530 -8.306 1.00 41.11 H new ATOM 0 HG2 GLN A 19 3.985 -11.307 -8.602 1.00 52.51 H new ATOM 0 HG3 GLN A 19 4.015 -13.053 -8.449 1.00 52.51 H new ATOM 0 HE21 GLN A 19 1.471 -10.994 -9.916 1.00 30.15 H new ATOM 0 HE22 GLN A 19 1.626 -11.659 -11.546 1.00 30.15 H new ATOM 317 N GLN A 20 2.874 -10.180 -5.129 1.00 63.22 N ATOM 318 CA GLN A 20 3.917 -9.708 -4.227 1.00 3.25 C ATOM 319 C GLN A 20 4.508 -10.863 -3.425 1.00 64.25 C ATOM 320 O GLN A 20 4.157 -12.023 -3.640 1.00 40.32 O ATOM 321 CB GLN A 20 3.358 -8.647 -3.277 1.00 75.11 C ATOM 322 CG GLN A 20 2.065 -9.064 -2.594 1.00 10.52 C ATOM 323 CD GLN A 20 1.486 -7.967 -1.722 1.00 40.31 C ATOM 324 OE1 GLN A 20 0.284 -7.700 -1.756 1.00 44.13 O ATOM 325 NE2 GLN A 20 2.340 -7.324 -0.934 1.00 12.20 N ATOM 0 H GLN A 20 2.012 -10.465 -4.665 1.00 63.22 H new ATOM 0 HA GLN A 20 4.710 -9.265 -4.830 1.00 3.25 H new ATOM 0 HB2 GLN A 20 4.105 -8.422 -2.516 1.00 75.11 H new ATOM 0 HB3 GLN A 20 3.184 -7.727 -3.835 1.00 75.11 H new ATOM 0 HG2 GLN A 20 1.333 -9.346 -3.351 1.00 10.52 H new ATOM 0 HG3 GLN A 20 2.249 -9.948 -1.984 1.00 10.52 H new ATOM 0 HE21 GLN A 20 3.328 -7.578 -0.938 1.00 12.20 H new ATOM 0 HE22 GLN A 20 2.008 -6.576 -0.325 1.00 12.20 H new ATOM 397 N VAL A 26 -3.165 -9.730 -7.123 1.00 42.23 N ATOM 398 CA VAL A 26 -3.955 -8.544 -6.814 1.00 44.12 C ATOM 399 C VAL A 26 -4.764 -8.092 -8.025 1.00 1.25 C ATOM 400 O VAL A 26 -4.367 -8.314 -9.169 1.00 31.44 O ATOM 401 CB VAL A 26 -3.061 -7.381 -6.345 1.00 4.23 C ATOM 402 CG1 VAL A 26 -2.738 -6.453 -7.506 1.00 3.11 C ATOM 403 CG2 VAL A 26 -3.731 -6.618 -5.212 1.00 41.22 C ATOM 0 HA VAL A 26 -4.635 -8.818 -6.008 1.00 44.12 H new ATOM 0 HB VAL A 26 -2.124 -7.794 -5.971 1.00 4.23 H new ATOM 0 HG11 VAL A 26 -2.106 -5.638 -7.155 1.00 3.11 H new ATOM 0 HG12 VAL A 26 -2.214 -7.010 -8.282 1.00 3.11 H new ATOM 0 HG13 VAL A 26 -3.663 -6.045 -7.914 1.00 3.11 H new ATOM 0 HG21 VAL A 26 -3.086 -5.800 -4.893 1.00 41.22 H new ATOM 0 HG22 VAL A 26 -4.683 -6.215 -5.558 1.00 41.22 H new ATOM 0 HG23 VAL A 26 -3.905 -7.291 -4.373 1.00 41.22 H new ATOM 413 N PHE A 27 -5.901 -7.455 -7.765 1.00 30.03 N ATOM 414 CA PHE A 27 -6.768 -6.971 -8.833 1.00 63.31 C ATOM 415 C PHE A 27 -6.400 -5.544 -9.227 1.00 51.32 C ATOM 416 O PHE A 27 -6.519 -4.616 -8.426 1.00 63.33 O ATOM 417 CB PHE A 27 -8.233 -7.030 -8.396 1.00 61.53 C ATOM 418 CG PHE A 27 -9.147 -7.602 -9.442 1.00 34.34 C ATOM 419 CD1 PHE A 27 -9.078 -7.166 -10.755 1.00 34.31 C ATOM 420 CD2 PHE A 27 -10.077 -8.575 -9.111 1.00 24.54 C ATOM 421 CE1 PHE A 27 -9.918 -7.691 -11.719 1.00 52.34 C ATOM 422 CE2 PHE A 27 -10.919 -9.104 -10.071 1.00 4.22 C ATOM 423 CZ PHE A 27 -10.840 -8.660 -11.377 1.00 12.05 C ATOM 0 H PHE A 27 -6.243 -7.262 -6.824 1.00 30.03 H new ATOM 0 HA PHE A 27 -6.629 -7.616 -9.700 1.00 63.31 H new ATOM 0 HB2 PHE A 27 -8.310 -7.631 -7.490 1.00 61.53 H new ATOM 0 HB3 PHE A 27 -8.569 -6.025 -8.142 1.00 61.53 H new ATOM 0 HD1 PHE A 27 -8.360 -6.407 -11.029 1.00 34.31 H new ATOM 0 HD2 PHE A 27 -10.145 -8.924 -8.091 1.00 24.54 H new ATOM 0 HE1 PHE A 27 -9.853 -7.343 -12.739 1.00 52.34 H new ATOM 0 HE2 PHE A 27 -11.638 -9.863 -9.801 1.00 4.22 H new ATOM 0 HZ PHE A 27 -11.498 -9.070 -12.129 1.00 12.05 H new ATOM 433 N VAL A 28 -5.952 -5.375 -10.467 1.00 73.34 N ATOM 434 CA VAL A 28 -5.567 -4.062 -10.969 1.00 53.34 C ATOM 435 C VAL A 28 -6.357 -3.699 -12.222 1.00 11.10 C ATOM 436 O VAL A 28 -6.632 -4.554 -13.065 1.00 10.50 O ATOM 437 CB VAL A 28 -4.062 -4.002 -11.290 1.00 21.31 C ATOM 438 CG1 VAL A 28 -3.315 -5.101 -10.550 1.00 64.42 C ATOM 439 CG2 VAL A 28 -3.833 -4.107 -12.790 1.00 45.21 C ATOM 0 H VAL A 28 -5.847 -6.132 -11.143 1.00 73.34 H new ATOM 0 HA VAL A 28 -5.791 -3.344 -10.180 1.00 53.34 H new ATOM 0 HB VAL A 28 -3.674 -3.041 -10.953 1.00 21.31 H new ATOM 0 HG11 VAL A 28 -2.253 -5.043 -10.789 1.00 64.42 H new ATOM 0 HG12 VAL A 28 -3.453 -4.975 -9.476 1.00 64.42 H new ATOM 0 HG13 VAL A 28 -3.703 -6.073 -10.854 1.00 64.42 H new ATOM 0 HG21 VAL A 28 -2.764 -4.063 -12.999 1.00 45.21 H new ATOM 0 HG22 VAL A 28 -4.235 -5.052 -13.154 1.00 45.21 H new ATOM 0 HG23 VAL A 28 -4.335 -3.281 -13.293 1.00 45.21 H new ATOM 449 N HIS A 29 -6.719 -2.425 -12.338 1.00 75.33 N ATOM 450 CA HIS A 29 -7.477 -1.948 -13.490 1.00 35.24 C ATOM 451 C HIS A 29 -6.828 -0.705 -14.090 1.00 72.13 C ATOM 452 O HIS A 29 -6.057 -0.012 -13.426 1.00 31.41 O ATOM 453 CB HIS A 29 -8.919 -1.640 -13.085 1.00 54.22 C ATOM 454 CG HIS A 29 -9.794 -2.854 -13.013 1.00 2.31 C ATOM 455 ND1 HIS A 29 -11.037 -2.922 -13.605 1.00 12.20 N ATOM 456 CD2 HIS A 29 -9.597 -4.052 -12.415 1.00 14.13 C ATOM 457 CE1 HIS A 29 -11.569 -4.109 -13.373 1.00 4.23 C ATOM 458 NE2 HIS A 29 -10.715 -4.814 -12.653 1.00 2.13 N ATOM 0 H HIS A 29 -6.500 -1.705 -11.649 1.00 75.33 H new ATOM 0 HA HIS A 29 -7.479 -2.735 -14.244 1.00 35.24 H new ATOM 0 HB2 HIS A 29 -8.917 -1.146 -12.114 1.00 54.22 H new ATOM 0 HB3 HIS A 29 -9.346 -0.936 -13.800 1.00 54.22 H new ATOM 0 HD2 HIS A 29 -8.724 -4.353 -11.855 1.00 14.13 H new ATOM 0 HE1 HIS A 29 -12.537 -4.445 -13.714 1.00 4.23 H new ATOM 0 HE2 HIS A 29 -10.862 -5.769 -12.327 1.00 2.13 H new ATOM 466 N PHE A 30 -7.145 -0.429 -15.351 1.00 44.20 N ATOM 467 CA PHE A 30 -6.591 0.730 -16.042 1.00 24.21 C ATOM 468 C PHE A 30 -6.963 2.022 -15.321 1.00 53.24 C ATOM 469 O PHE A 30 -6.332 3.061 -15.518 1.00 3.14 O ATOM 470 CB PHE A 30 -7.091 0.776 -17.487 1.00 71.21 C ATOM 471 CG PHE A 30 -8.512 1.247 -17.615 1.00 24.31 C ATOM 472 CD1 PHE A 30 -9.564 0.425 -17.242 1.00 43.54 C ATOM 473 CD2 PHE A 30 -8.795 2.511 -18.107 1.00 21.51 C ATOM 474 CE1 PHE A 30 -10.872 0.856 -17.360 1.00 3.12 C ATOM 475 CE2 PHE A 30 -10.101 2.947 -18.226 1.00 70.11 C ATOM 476 CZ PHE A 30 -11.141 2.119 -17.851 1.00 63.20 C ATOM 0 H PHE A 30 -7.782 -0.992 -15.915 1.00 44.20 H new ATOM 0 HA PHE A 30 -5.505 0.636 -16.044 1.00 24.21 H new ATOM 0 HB2 PHE A 30 -6.444 1.436 -18.066 1.00 71.21 H new ATOM 0 HB3 PHE A 30 -7.005 -0.219 -17.924 1.00 71.21 H new ATOM 0 HD1 PHE A 30 -9.360 -0.562 -16.855 1.00 43.54 H new ATOM 0 HD2 PHE A 30 -7.986 3.163 -18.401 1.00 21.51 H new ATOM 0 HE1 PHE A 30 -11.683 0.206 -17.068 1.00 3.12 H new ATOM 0 HE2 PHE A 30 -10.308 3.934 -18.612 1.00 70.11 H new ATOM 0 HZ PHE A 30 -12.162 2.458 -17.941 1.00 63.20 H new ATOM 486 N THR A 31 -7.995 1.951 -14.486 1.00 30.31 N ATOM 487 CA THR A 31 -8.454 3.114 -13.737 1.00 72.31 C ATOM 488 C THR A 31 -7.744 3.217 -12.392 1.00 72.11 C ATOM 489 O THR A 31 -7.992 4.141 -11.618 1.00 72.11 O ATOM 490 CB THR A 31 -9.975 3.064 -13.499 1.00 53.14 C ATOM 491 OG1 THR A 31 -10.416 4.284 -12.893 1.00 32.14 O ATOM 492 CG2 THR A 31 -10.346 1.887 -12.611 1.00 30.44 C ATOM 0 H THR A 31 -8.529 1.100 -14.311 1.00 30.31 H new ATOM 0 HA THR A 31 -8.216 3.991 -14.338 1.00 72.31 H new ATOM 0 HB THR A 31 -10.467 2.939 -14.463 1.00 53.14 H new ATOM 0 HG1 THR A 31 -9.698 4.650 -12.335 1.00 32.14 H new ATOM 0 HG21 THR A 31 -11.425 1.873 -12.457 1.00 30.44 H new ATOM 0 HG22 THR A 31 -10.035 0.958 -13.089 1.00 30.44 H new ATOM 0 HG23 THR A 31 -9.844 1.985 -11.649 1.00 30.44 H new ATOM 500 N ALA A 32 -6.860 2.263 -12.120 1.00 63.04 N ATOM 501 CA ALA A 32 -6.112 2.249 -10.869 1.00 63.34 C ATOM 502 C ALA A 32 -4.615 2.399 -11.123 1.00 15.33 C ATOM 503 O ALA A 32 -3.869 2.834 -10.245 1.00 42.24 O ATOM 504 CB ALA A 32 -6.392 0.966 -10.101 1.00 73.43 C ATOM 0 H ALA A 32 -6.644 1.490 -12.749 1.00 63.04 H new ATOM 0 HA ALA A 32 -6.440 3.098 -10.269 1.00 63.34 H new ATOM 0 HB1 ALA A 32 -5.827 0.969 -9.169 1.00 73.43 H new ATOM 0 HB2 ALA A 32 -7.457 0.900 -9.879 1.00 73.43 H new ATOM 0 HB3 ALA A 32 -6.093 0.108 -10.704 1.00 73.43 H new ATOM 510 N ILE A 33 -4.184 2.037 -12.326 1.00 75.12 N ATOM 511 CA ILE A 33 -2.777 2.133 -12.694 1.00 33.52 C ATOM 512 C ILE A 33 -2.319 3.586 -12.740 1.00 42.12 C ATOM 513 O ILE A 33 -2.921 4.415 -13.422 1.00 1.14 O ATOM 514 CB ILE A 33 -2.507 1.477 -14.061 1.00 23.21 C ATOM 515 CG1 ILE A 33 -2.705 -0.038 -13.973 1.00 14.23 C ATOM 516 CG2 ILE A 33 -1.099 1.805 -14.537 1.00 14.15 C ATOM 517 CD1 ILE A 33 -3.430 -0.622 -15.165 1.00 32.42 C ATOM 0 H ILE A 33 -4.789 1.674 -13.063 1.00 75.12 H new ATOM 0 HA ILE A 33 -2.213 1.601 -11.928 1.00 33.52 H new ATOM 0 HB ILE A 33 -3.217 1.876 -14.785 1.00 23.21 H new ATOM 0 HG12 ILE A 33 -1.731 -0.519 -13.879 1.00 14.23 H new ATOM 0 HG13 ILE A 33 -3.265 -0.271 -13.067 1.00 14.23 H new ATOM 0 HG21 ILE A 33 -0.923 1.334 -15.504 1.00 14.15 H new ATOM 0 HG22 ILE A 33 -0.990 2.885 -14.634 1.00 14.15 H new ATOM 0 HG23 ILE A 33 -0.374 1.431 -13.814 1.00 14.15 H new ATOM 0 HD11 ILE A 33 -3.535 -1.699 -15.035 1.00 32.42 H new ATOM 0 HD12 ILE A 33 -4.418 -0.168 -15.248 1.00 32.42 H new ATOM 0 HD13 ILE A 33 -2.860 -0.420 -16.072 1.00 32.42 H new ATOM 529 N GLU A 34 -1.248 3.887 -12.012 1.00 30.21 N ATOM 530 CA GLU A 34 -0.708 5.241 -11.971 1.00 73.23 C ATOM 531 C GLU A 34 0.657 5.303 -12.650 1.00 70.11 C ATOM 532 O GLU A 34 1.693 5.176 -11.998 1.00 34.43 O ATOM 533 CB GLU A 34 -0.593 5.725 -10.524 1.00 71.43 C ATOM 534 CG GLU A 34 -1.863 5.529 -9.714 1.00 75.50 C ATOM 535 CD GLU A 34 -2.441 6.836 -9.209 1.00 52.53 C ATOM 536 OE1 GLU A 34 -1.761 7.517 -8.413 1.00 21.54 O ATOM 537 OE2 GLU A 34 -3.573 7.180 -9.610 1.00 63.12 O ATOM 0 H GLU A 34 -0.737 3.212 -11.443 1.00 30.21 H new ATOM 0 HA GLU A 34 -1.393 5.894 -12.511 1.00 73.23 H new ATOM 0 HB2 GLU A 34 0.225 5.194 -10.036 1.00 71.43 H new ATOM 0 HB3 GLU A 34 -0.331 6.783 -10.523 1.00 71.43 H new ATOM 0 HG2 GLU A 34 -2.606 5.021 -10.328 1.00 75.50 H new ATOM 0 HG3 GLU A 34 -1.651 4.878 -8.866 1.00 75.50 H new ATOM 631 N LEU A 41 2.136 -2.680 -19.450 1.00 13.03 N ATOM 632 CA LEU A 41 3.207 -3.386 -18.757 1.00 24.54 C ATOM 633 C LEU A 41 3.613 -4.644 -19.519 1.00 35.12 C ATOM 634 O LEU A 41 3.046 -4.957 -20.565 1.00 34.43 O ATOM 635 CB LEU A 41 2.768 -3.755 -17.338 1.00 62.15 C ATOM 636 CG LEU A 41 2.878 -2.646 -16.292 1.00 42.41 C ATOM 637 CD1 LEU A 41 4.314 -2.157 -16.181 1.00 51.44 C ATOM 638 CD2 LEU A 41 1.945 -1.494 -16.636 1.00 45.53 C ATOM 0 HA LEU A 41 4.070 -2.722 -18.703 1.00 24.54 H new ATOM 0 HB2 LEU A 41 1.731 -4.090 -17.375 1.00 62.15 H new ATOM 0 HB3 LEU A 41 3.365 -4.603 -17.003 1.00 62.15 H new ATOM 0 HG LEU A 41 2.579 -3.053 -15.326 1.00 42.41 H new ATOM 0 HD11 LEU A 41 4.373 -1.368 -15.432 1.00 51.44 H new ATOM 0 HD12 LEU A 41 4.959 -2.985 -15.887 1.00 51.44 H new ATOM 0 HD13 LEU A 41 4.641 -1.767 -17.145 1.00 51.44 H new ATOM 0 HD21 LEU A 41 2.037 -0.714 -15.881 1.00 45.53 H new ATOM 0 HD22 LEU A 41 2.213 -1.088 -17.611 1.00 45.53 H new ATOM 0 HD23 LEU A 41 0.917 -1.854 -16.663 1.00 45.53 H new ATOM 650 N ASN A 42 4.596 -5.362 -18.986 1.00 11.12 N ATOM 651 CA ASN A 42 5.076 -6.587 -19.615 1.00 52.11 C ATOM 652 C ASN A 42 5.153 -7.725 -18.602 1.00 14.01 C ATOM 653 O ASN A 42 5.745 -7.578 -17.534 1.00 22.44 O ATOM 654 CB ASN A 42 6.451 -6.356 -20.245 1.00 70.41 C ATOM 655 CG ASN A 42 6.495 -5.101 -21.095 1.00 34.03 C ATOM 656 OD1 ASN A 42 5.640 -4.891 -21.956 1.00 23.00 O ATOM 657 ND2 ASN A 42 7.493 -4.259 -20.855 1.00 64.35 N ATOM 0 H ASN A 42 5.076 -5.117 -18.120 1.00 11.12 H new ATOM 0 HA ASN A 42 4.368 -6.867 -20.395 1.00 52.11 H new ATOM 0 HB2 ASN A 42 7.201 -6.284 -19.457 1.00 70.41 H new ATOM 0 HB3 ASN A 42 6.715 -7.217 -20.859 1.00 70.41 H new ATOM 0 HD21 ASN A 42 7.574 -3.397 -21.394 1.00 64.35 H new ATOM 0 HD22 ASN A 42 8.179 -4.474 -20.131 1.00 64.35 H new ATOM 664 N GLU A 43 4.549 -8.858 -18.946 1.00 64.54 N ATOM 665 CA GLU A 43 4.550 -10.021 -18.066 1.00 73.24 C ATOM 666 C GLU A 43 5.970 -10.379 -17.638 1.00 11.44 C ATOM 667 O GLU A 43 6.828 -10.665 -18.471 1.00 42.22 O ATOM 668 CB GLU A 43 3.900 -11.217 -18.765 1.00 32.41 C ATOM 669 CG GLU A 43 3.930 -12.494 -17.941 1.00 2.41 C ATOM 670 CD GLU A 43 3.535 -13.717 -18.745 1.00 52.21 C ATOM 671 OE1 GLU A 43 2.630 -13.600 -19.598 1.00 45.11 O ATOM 672 OE2 GLU A 43 4.131 -14.791 -18.521 1.00 74.41 O ATOM 0 H GLU A 43 4.053 -8.995 -19.827 1.00 64.54 H new ATOM 0 HA GLU A 43 3.973 -9.771 -17.176 1.00 73.24 H new ATOM 0 HB2 GLU A 43 2.865 -10.971 -19.000 1.00 32.41 H new ATOM 0 HB3 GLU A 43 4.409 -11.394 -19.713 1.00 32.41 H new ATOM 0 HG2 GLU A 43 4.932 -12.638 -17.537 1.00 2.41 H new ATOM 0 HG3 GLU A 43 3.256 -12.389 -17.091 1.00 2.41 H new ATOM 679 N GLY A 44 6.210 -10.359 -16.330 1.00 32.01 N ATOM 680 CA GLY A 44 7.527 -10.682 -15.812 1.00 54.13 C ATOM 681 C GLY A 44 8.224 -9.478 -15.209 1.00 74.53 C ATOM 682 O GLY A 44 9.205 -9.623 -14.481 1.00 50.42 O ATOM 0 H GLY A 44 5.516 -10.125 -15.620 1.00 32.01 H new ATOM 0 HA2 GLY A 44 7.435 -11.462 -15.056 1.00 54.13 H new ATOM 0 HA3 GLY A 44 8.141 -11.088 -16.616 1.00 54.13 H new ATOM 686 N GLU A 45 7.716 -8.288 -15.514 1.00 63.25 N ATOM 687 CA GLU A 45 8.299 -7.055 -14.999 1.00 23.12 C ATOM 688 C GLU A 45 7.766 -6.743 -13.603 1.00 60.15 C ATOM 689 O GLU A 45 6.713 -7.240 -13.204 1.00 33.23 O ATOM 690 CB GLU A 45 8.000 -5.889 -15.944 1.00 21.25 C ATOM 691 CG GLU A 45 8.672 -4.589 -15.537 1.00 41.50 C ATOM 692 CD GLU A 45 9.036 -3.723 -16.728 1.00 14.33 C ATOM 693 OE1 GLU A 45 10.122 -3.937 -17.306 1.00 54.53 O ATOM 694 OE2 GLU A 45 8.235 -2.832 -17.081 1.00 1.14 O ATOM 0 H GLU A 45 6.903 -8.152 -16.115 1.00 63.25 H new ATOM 0 HA GLU A 45 9.378 -7.193 -14.935 1.00 23.12 H new ATOM 0 HB2 GLU A 45 8.323 -6.156 -16.950 1.00 21.25 H new ATOM 0 HB3 GLU A 45 6.922 -5.733 -15.986 1.00 21.25 H new ATOM 0 HG2 GLU A 45 8.007 -4.032 -14.877 1.00 41.50 H new ATOM 0 HG3 GLU A 45 9.573 -4.813 -14.966 1.00 41.50 H new ATOM 701 N HIS A 46 8.501 -5.917 -12.866 1.00 45.24 N ATOM 702 CA HIS A 46 8.103 -5.538 -11.515 1.00 43.23 C ATOM 703 C HIS A 46 7.247 -4.275 -11.535 1.00 43.02 C ATOM 704 O HIS A 46 7.511 -3.346 -12.298 1.00 41.25 O ATOM 705 CB HIS A 46 9.338 -5.318 -10.640 1.00 55.41 C ATOM 706 CG HIS A 46 10.547 -6.066 -11.110 1.00 74.04 C ATOM 707 ND1 HIS A 46 10.780 -7.390 -10.802 1.00 13.45 N ATOM 708 CD2 HIS A 46 11.592 -5.669 -11.873 1.00 22.41 C ATOM 709 CE1 HIS A 46 11.917 -7.774 -11.352 1.00 62.12 C ATOM 710 NE2 HIS A 46 12.430 -6.749 -12.008 1.00 40.04 N ATOM 0 H HIS A 46 9.375 -5.497 -13.181 1.00 45.24 H new ATOM 0 HA HIS A 46 7.510 -6.351 -11.096 1.00 43.23 H new ATOM 0 HB2 HIS A 46 9.568 -4.253 -10.612 1.00 55.41 H new ATOM 0 HB3 HIS A 46 9.108 -5.621 -9.619 1.00 55.41 H new ATOM 0 HD2 HIS A 46 11.739 -4.687 -12.297 1.00 22.41 H new ATOM 0 HE1 HIS A 46 12.354 -8.759 -11.278 1.00 62.12 H new ATOM 0 HE2 HIS A 46 13.306 -6.758 -12.530 1.00 40.04 H new ATOM 718 N VAL A 47 6.220 -4.249 -10.692 1.00 4.54 N ATOM 719 CA VAL A 47 5.326 -3.100 -10.612 1.00 73.01 C ATOM 720 C VAL A 47 4.688 -2.995 -9.231 1.00 42.43 C ATOM 721 O VAL A 47 4.325 -4.003 -8.626 1.00 44.32 O ATOM 722 CB VAL A 47 4.213 -3.181 -11.674 1.00 42.33 C ATOM 723 CG1 VAL A 47 4.809 -3.174 -13.074 1.00 2.23 C ATOM 724 CG2 VAL A 47 3.358 -4.420 -11.456 1.00 52.52 C ATOM 0 H VAL A 47 5.986 -5.010 -10.055 1.00 4.54 H new ATOM 0 HA VAL A 47 5.932 -2.213 -10.797 1.00 73.01 H new ATOM 0 HB VAL A 47 3.574 -2.304 -11.573 1.00 42.33 H new ATOM 0 HG11 VAL A 47 4.008 -3.232 -13.811 1.00 2.23 H new ATOM 0 HG12 VAL A 47 5.374 -2.254 -13.224 1.00 2.23 H new ATOM 0 HG13 VAL A 47 5.472 -4.031 -13.191 1.00 2.23 H new ATOM 0 HG21 VAL A 47 2.577 -4.461 -12.215 1.00 52.52 H new ATOM 0 HG22 VAL A 47 3.982 -5.310 -11.529 1.00 52.52 H new ATOM 0 HG23 VAL A 47 2.901 -4.377 -10.467 1.00 52.52 H new ATOM 734 N GLU A 48 4.555 -1.767 -8.739 1.00 52.22 N ATOM 735 CA GLU A 48 3.961 -1.530 -7.429 1.00 31.23 C ATOM 736 C GLU A 48 2.440 -1.458 -7.526 1.00 33.33 C ATOM 737 O GLU A 48 1.887 -1.181 -8.590 1.00 73.12 O ATOM 738 CB GLU A 48 4.506 -0.235 -6.823 1.00 40.14 C ATOM 739 CG GLU A 48 5.978 0.003 -7.118 1.00 75.43 C ATOM 740 CD GLU A 48 6.585 1.071 -6.231 1.00 2.51 C ATOM 741 OE1 GLU A 48 6.564 0.898 -4.994 1.00 60.52 O ATOM 742 OE2 GLU A 48 7.081 2.081 -6.772 1.00 45.32 O ATOM 0 H GLU A 48 4.850 -0.922 -9.228 1.00 52.22 H new ATOM 0 HA GLU A 48 4.228 -2.366 -6.782 1.00 31.23 H new ATOM 0 HB2 GLU A 48 3.927 0.606 -7.204 1.00 40.14 H new ATOM 0 HB3 GLU A 48 4.360 -0.259 -5.743 1.00 40.14 H new ATOM 0 HG2 GLU A 48 6.527 -0.929 -6.985 1.00 75.43 H new ATOM 0 HG3 GLU A 48 6.093 0.295 -8.162 1.00 75.43 H new ATOM 749 N PHE A 49 1.769 -1.711 -6.407 1.00 12.33 N ATOM 750 CA PHE A 49 0.312 -1.677 -6.365 1.00 15.42 C ATOM 751 C PHE A 49 -0.188 -1.509 -4.933 1.00 4.14 C ATOM 752 O PHE A 49 0.260 -2.206 -4.023 1.00 62.42 O ATOM 753 CB PHE A 49 -0.267 -2.956 -6.972 1.00 75.10 C ATOM 754 CG PHE A 49 0.116 -4.201 -6.225 1.00 31.24 C ATOM 755 CD1 PHE A 49 1.313 -4.846 -6.493 1.00 55.25 C ATOM 756 CD2 PHE A 49 -0.721 -4.727 -5.253 1.00 64.23 C ATOM 757 CE1 PHE A 49 1.669 -5.992 -5.807 1.00 54.42 C ATOM 758 CE2 PHE A 49 -0.370 -5.872 -4.564 1.00 23.34 C ATOM 759 CZ PHE A 49 0.826 -6.506 -4.842 1.00 33.03 C ATOM 0 H PHE A 49 2.211 -1.942 -5.517 1.00 12.33 H new ATOM 0 HA PHE A 49 -0.023 -0.821 -6.951 1.00 15.42 H new ATOM 0 HB2 PHE A 49 -1.354 -2.877 -6.997 1.00 75.10 H new ATOM 0 HB3 PHE A 49 0.070 -3.043 -8.005 1.00 75.10 H new ATOM 0 HD1 PHE A 49 1.976 -4.448 -7.247 1.00 55.25 H new ATOM 0 HD2 PHE A 49 -1.657 -4.236 -5.032 1.00 64.23 H new ATOM 0 HE1 PHE A 49 2.605 -6.484 -6.026 1.00 54.42 H new ATOM 0 HE2 PHE A 49 -1.030 -6.271 -3.808 1.00 23.34 H new ATOM 0 HZ PHE A 49 1.101 -7.402 -4.305 1.00 33.03 H new ATOM 769 N GLU A 50 -1.117 -0.578 -4.741 1.00 73.14 N ATOM 770 CA GLU A 50 -1.676 -0.318 -3.420 1.00 11.31 C ATOM 771 C GLU A 50 -3.008 -1.041 -3.240 1.00 64.11 C ATOM 772 O GLU A 50 -4.047 -0.577 -3.708 1.00 14.11 O ATOM 773 CB GLU A 50 -1.868 1.186 -3.210 1.00 24.20 C ATOM 774 CG GLU A 50 -1.011 1.759 -2.094 1.00 24.44 C ATOM 775 CD GLU A 50 -1.764 2.752 -1.231 1.00 40.51 C ATOM 776 OE1 GLU A 50 -2.821 2.378 -0.680 1.00 65.25 O ATOM 777 OE2 GLU A 50 -1.298 3.904 -1.107 1.00 2.20 O ATOM 0 H GLU A 50 -1.498 0.009 -5.483 1.00 73.14 H new ATOM 0 HA GLU A 50 -0.974 -0.695 -2.676 1.00 11.31 H new ATOM 0 HB2 GLU A 50 -1.636 1.707 -4.139 1.00 24.20 H new ATOM 0 HB3 GLU A 50 -2.917 1.382 -2.988 1.00 24.20 H new ATOM 0 HG2 GLU A 50 -0.644 0.945 -1.469 1.00 24.44 H new ATOM 0 HG3 GLU A 50 -0.138 2.248 -2.526 1.00 24.44 H new ATOM 784 N VAL A 51 -2.967 -2.182 -2.559 1.00 13.00 N ATOM 785 CA VAL A 51 -4.170 -2.970 -2.316 1.00 65.32 C ATOM 786 C VAL A 51 -5.180 -2.189 -1.484 1.00 54.14 C ATOM 787 O VAL A 51 -4.869 -1.722 -0.389 1.00 62.43 O ATOM 788 CB VAL A 51 -3.839 -4.290 -1.595 1.00 61.50 C ATOM 789 CG1 VAL A 51 -2.956 -5.169 -2.468 1.00 32.50 C ATOM 790 CG2 VAL A 51 -3.172 -4.013 -0.256 1.00 63.23 C ATOM 0 H VAL A 51 -2.115 -2.581 -2.166 1.00 13.00 H new ATOM 0 HA VAL A 51 -4.603 -3.195 -3.290 1.00 65.32 H new ATOM 0 HB VAL A 51 -4.770 -4.824 -1.407 1.00 61.50 H new ATOM 0 HG11 VAL A 51 -2.733 -6.097 -1.942 1.00 32.50 H new ATOM 0 HG12 VAL A 51 -3.475 -5.396 -3.399 1.00 32.50 H new ATOM 0 HG13 VAL A 51 -2.026 -4.645 -2.690 1.00 32.50 H new ATOM 0 HG21 VAL A 51 -2.945 -4.957 0.240 1.00 63.23 H new ATOM 0 HG22 VAL A 51 -2.249 -3.457 -0.418 1.00 63.23 H new ATOM 0 HG23 VAL A 51 -3.844 -3.426 0.371 1.00 63.23 H new ATOM 800 N GLU A 52 -6.393 -2.051 -2.012 1.00 44.15 N ATOM 801 CA GLU A 52 -7.450 -1.325 -1.318 1.00 25.22 C ATOM 802 C GLU A 52 -8.556 -2.275 -0.867 1.00 3.22 C ATOM 803 O GLU A 52 -8.744 -3.357 -1.423 1.00 14.03 O ATOM 804 CB GLU A 52 -8.033 -0.239 -2.224 1.00 1.45 C ATOM 805 CG GLU A 52 -7.665 1.172 -1.796 1.00 14.32 C ATOM 806 CD GLU A 52 -6.239 1.276 -1.293 1.00 2.53 C ATOM 807 OE1 GLU A 52 -5.363 0.577 -1.845 1.00 12.44 O ATOM 808 OE2 GLU A 52 -5.998 2.056 -0.348 1.00 2.14 O ATOM 0 H GLU A 52 -6.667 -2.432 -2.917 1.00 44.15 H new ATOM 0 HA GLU A 52 -7.015 -0.856 -0.435 1.00 25.22 H new ATOM 0 HB2 GLU A 52 -7.685 -0.403 -3.244 1.00 1.45 H new ATOM 0 HB3 GLU A 52 -9.119 -0.334 -2.239 1.00 1.45 H new ATOM 0 HG2 GLU A 52 -7.799 1.850 -2.639 1.00 14.32 H new ATOM 0 HG3 GLU A 52 -8.348 1.499 -1.012 1.00 14.32 H new ATOM 815 N PRO A 53 -9.305 -1.861 0.166 1.00 20.51 N ATOM 816 CA PRO A 53 -10.405 -2.660 0.715 1.00 10.43 C ATOM 817 C PRO A 53 -11.592 -2.745 -0.238 1.00 41.23 C ATOM 818 O PRO A 53 -11.657 -3.635 -1.085 1.00 55.53 O ATOM 819 CB PRO A 53 -10.794 -1.900 1.986 1.00 22.54 C ATOM 820 CG PRO A 53 -10.369 -0.495 1.733 1.00 33.12 C ATOM 821 CD PRO A 53 -9.136 -0.583 0.877 1.00 53.01 C ATOM 0 HA PRO A 53 -10.109 -3.694 0.893 1.00 10.43 H new ATOM 0 HB2 PRO A 53 -11.866 -1.962 2.172 1.00 22.54 H new ATOM 0 HB3 PRO A 53 -10.295 -2.313 2.862 1.00 22.54 H new ATOM 0 HG2 PRO A 53 -11.156 0.066 1.228 1.00 33.12 H new ATOM 0 HG3 PRO A 53 -10.158 0.023 2.668 1.00 33.12 H new ATOM 0 HD2 PRO A 53 -9.067 0.256 0.185 1.00 53.01 H new ATOM 0 HD3 PRO A 53 -8.227 -0.575 1.479 1.00 53.01 H new ATOM 829 N GLY A 54 -12.529 -1.812 -0.095 1.00 21.34 N ATOM 830 CA GLY A 54 -13.701 -1.800 -0.951 1.00 22.34 C ATOM 831 C GLY A 54 -13.442 -1.117 -2.278 1.00 41.25 C ATOM 832 O GLY A 54 -14.090 -0.124 -2.610 1.00 5.54 O ATOM 0 H GLY A 54 -12.497 -1.065 0.598 1.00 21.34 H new ATOM 0 HA2 GLY A 54 -14.026 -2.825 -1.131 1.00 22.34 H new ATOM 0 HA3 GLY A 54 -14.517 -1.292 -0.437 1.00 22.34 H new ATOM 836 N ARG A 55 -12.491 -1.648 -3.040 1.00 74.24 N ATOM 837 CA ARG A 55 -12.146 -1.081 -4.338 1.00 53.13 C ATOM 838 C ARG A 55 -12.066 -2.170 -5.404 1.00 30.33 C ATOM 839 O ARG A 55 -12.478 -1.968 -6.545 1.00 73.21 O ATOM 840 CB ARG A 55 -10.813 -0.335 -4.255 1.00 32.13 C ATOM 841 CG ARG A 55 -10.697 0.817 -5.240 1.00 22.44 C ATOM 842 CD ARG A 55 -11.286 2.098 -4.671 1.00 31.14 C ATOM 843 NE ARG A 55 -12.744 2.113 -4.751 1.00 72.32 N ATOM 844 CZ ARG A 55 -13.506 3.004 -4.126 1.00 22.50 C ATOM 845 NH1 ARG A 55 -12.950 3.947 -3.379 1.00 13.25 N ATOM 846 NH2 ARG A 55 -14.826 2.952 -4.248 1.00 71.23 N ATOM 0 H ARG A 55 -11.946 -2.470 -2.781 1.00 74.24 H new ATOM 0 HA ARG A 55 -12.931 -0.379 -4.619 1.00 53.13 H new ATOM 0 HB2 ARG A 55 -10.684 0.049 -3.243 1.00 32.13 H new ATOM 0 HB3 ARG A 55 -10.001 -1.039 -4.435 1.00 32.13 H new ATOM 0 HG2 ARG A 55 -9.649 0.978 -5.492 1.00 22.44 H new ATOM 0 HG3 ARG A 55 -11.211 0.559 -6.166 1.00 22.44 H new ATOM 0 HD2 ARG A 55 -10.979 2.207 -3.631 1.00 31.14 H new ATOM 0 HD3 ARG A 55 -10.884 2.954 -5.214 1.00 31.14 H new ATOM 0 HE ARG A 55 -13.203 1.400 -5.318 1.00 72.32 H new ATOM 0 HH11 ARG A 55 -11.935 3.990 -3.283 1.00 13.25 H new ATOM 0 HH12 ARG A 55 -13.537 4.630 -2.900 1.00 13.25 H new ATOM 0 HH21 ARG A 55 -15.257 2.227 -4.822 1.00 71.23 H new ATOM 0 HH22 ARG A 55 -15.410 3.637 -3.768 1.00 71.23 H new ATOM 860 N GLY A 56 -11.531 -3.326 -5.022 1.00 33.30 N ATOM 861 CA GLY A 56 -11.406 -4.430 -5.956 1.00 2.11 C ATOM 862 C GLY A 56 -12.468 -5.491 -5.745 1.00 64.05 C ATOM 863 O GLY A 56 -12.911 -5.721 -4.621 1.00 53.13 O ATOM 0 H GLY A 56 -11.182 -3.518 -4.083 1.00 33.30 H new ATOM 0 HA2 GLY A 56 -11.475 -4.049 -6.975 1.00 2.11 H new ATOM 0 HA3 GLY A 56 -10.420 -4.882 -5.850 1.00 2.11 H new ATOM 867 N GLY A 57 -12.878 -6.139 -6.832 1.00 31.25 N ATOM 868 CA GLY A 57 -13.893 -7.173 -6.739 1.00 43.35 C ATOM 869 C GLY A 57 -13.604 -8.172 -5.637 1.00 62.44 C ATOM 870 O GLY A 57 -14.418 -8.365 -4.734 1.00 61.31 O ATOM 0 H GLY A 57 -12.526 -5.967 -7.774 1.00 31.25 H new ATOM 0 HA2 GLY A 57 -14.863 -6.710 -6.560 1.00 43.35 H new ATOM 0 HA3 GLY A 57 -13.961 -7.698 -7.692 1.00 43.35 H new ATOM 874 N LYS A 58 -12.442 -8.812 -5.711 1.00 64.30 N ATOM 875 CA LYS A 58 -12.046 -9.799 -4.713 1.00 10.43 C ATOM 876 C LYS A 58 -11.644 -9.120 -3.407 1.00 70.10 C ATOM 877 O LYS A 58 -11.403 -9.784 -2.400 1.00 15.14 O ATOM 878 CB LYS A 58 -10.886 -10.648 -5.237 1.00 2.13 C ATOM 879 CG LYS A 58 -11.223 -11.427 -6.496 1.00 43.24 C ATOM 880 CD LYS A 58 -12.340 -12.427 -6.252 1.00 11.04 C ATOM 881 CE LYS A 58 -11.936 -13.473 -5.224 1.00 34.02 C ATOM 882 NZ LYS A 58 -12.798 -14.685 -5.298 1.00 71.33 N ATOM 0 H LYS A 58 -11.757 -8.665 -6.452 1.00 64.30 H new ATOM 0 HA LYS A 58 -12.902 -10.446 -4.518 1.00 10.43 H new ATOM 0 HB2 LYS A 58 -10.034 -9.999 -5.439 1.00 2.13 H new ATOM 0 HB3 LYS A 58 -10.578 -11.347 -4.459 1.00 2.13 H new ATOM 0 HG2 LYS A 58 -11.519 -10.735 -7.284 1.00 43.24 H new ATOM 0 HG3 LYS A 58 -10.335 -11.951 -6.849 1.00 43.24 H new ATOM 0 HD2 LYS A 58 -13.231 -11.902 -5.908 1.00 11.04 H new ATOM 0 HD3 LYS A 58 -12.601 -12.918 -7.189 1.00 11.04 H new ATOM 0 HE2 LYS A 58 -10.896 -13.757 -5.384 1.00 34.02 H new ATOM 0 HE3 LYS A 58 -11.999 -13.043 -4.224 1.00 34.02 H new ATOM 0 HZ1 LYS A 58 -12.491 -15.374 -4.582 1.00 71.33 H new ATOM 0 HZ2 LYS A 58 -13.787 -14.419 -5.120 1.00 71.33 H new ATOM 0 HZ3 LYS A 58 -12.719 -15.110 -6.244 1.00 71.33 H new ATOM 896 N GLY A 59 -11.575 -7.792 -3.432 1.00 25.40 N ATOM 897 CA GLY A 59 -11.203 -7.047 -2.244 1.00 2.41 C ATOM 898 C GLY A 59 -9.976 -6.183 -2.461 1.00 61.45 C ATOM 899 O GLY A 59 -10.072 -4.978 -2.694 1.00 22.13 O ATOM 0 H GLY A 59 -11.770 -7.220 -4.253 1.00 25.40 H new ATOM 0 HA2 GLY A 59 -12.038 -6.417 -1.938 1.00 2.41 H new ATOM 0 HA3 GLY A 59 -11.013 -7.743 -1.427 1.00 2.41 H new ATOM 903 N PRO A 60 -8.790 -6.804 -2.385 1.00 65.51 N ATOM 904 CA PRO A 60 -7.516 -6.103 -2.571 1.00 64.53 C ATOM 905 C PRO A 60 -7.302 -5.663 -4.015 1.00 52.34 C ATOM 906 O PRO A 60 -7.099 -6.491 -4.902 1.00 73.15 O ATOM 907 CB PRO A 60 -6.473 -7.151 -2.172 1.00 41.42 C ATOM 908 CG PRO A 60 -7.143 -8.461 -2.406 1.00 44.45 C ATOM 909 CD PRO A 60 -8.600 -8.239 -2.112 1.00 14.05 C ATOM 0 HA PRO A 60 -7.466 -5.186 -1.984 1.00 64.53 H new ATOM 0 HB2 PRO A 60 -5.568 -7.057 -2.772 1.00 41.42 H new ATOM 0 HB3 PRO A 60 -6.178 -7.038 -1.129 1.00 41.42 H new ATOM 0 HG2 PRO A 60 -6.999 -8.795 -3.433 1.00 44.45 H new ATOM 0 HG3 PRO A 60 -6.727 -9.233 -1.758 1.00 44.45 H new ATOM 0 HD2 PRO A 60 -9.236 -8.856 -2.746 1.00 14.05 H new ATOM 0 HD3 PRO A 60 -8.844 -8.487 -1.079 1.00 14.05 H new ATOM 917 N GLN A 61 -7.349 -4.354 -4.243 1.00 30.01 N ATOM 918 CA GLN A 61 -7.161 -3.804 -5.580 1.00 62.53 C ATOM 919 C GLN A 61 -5.887 -2.969 -5.651 1.00 65.43 C ATOM 920 O GLN A 61 -5.345 -2.558 -4.626 1.00 4.11 O ATOM 921 CB GLN A 61 -8.366 -2.951 -5.978 1.00 75.54 C ATOM 922 CG GLN A 61 -8.773 -3.115 -7.434 1.00 13.10 C ATOM 923 CD GLN A 61 -9.931 -2.216 -7.821 1.00 1.21 C ATOM 924 OE1 GLN A 61 -10.117 -1.142 -7.247 1.00 61.32 O ATOM 925 NE2 GLN A 61 -10.717 -2.650 -8.799 1.00 30.30 N ATOM 0 H GLN A 61 -7.516 -3.655 -3.519 1.00 30.01 H new ATOM 0 HA GLN A 61 -7.068 -4.636 -6.278 1.00 62.53 H new ATOM 0 HB2 GLN A 61 -9.211 -3.212 -5.341 1.00 75.54 H new ATOM 0 HB3 GLN A 61 -8.137 -1.902 -5.789 1.00 75.54 H new ATOM 0 HG2 GLN A 61 -7.918 -2.895 -8.073 1.00 13.10 H new ATOM 0 HG3 GLN A 61 -9.048 -4.154 -7.616 1.00 13.10 H new ATOM 0 HE21 GLN A 61 -10.526 -3.546 -9.247 1.00 30.30 H new ATOM 0 HE22 GLN A 61 -11.512 -2.087 -9.102 1.00 30.30 H new ATOM 934 N ALA A 62 -5.413 -2.723 -6.869 1.00 33.45 N ATOM 935 CA ALA A 62 -4.204 -1.936 -7.073 1.00 62.12 C ATOM 936 C ALA A 62 -4.519 -0.445 -7.111 1.00 54.34 C ATOM 937 O ALA A 62 -4.219 0.239 -8.090 1.00 2.41 O ATOM 938 CB ALA A 62 -3.507 -2.363 -8.357 1.00 21.24 C ATOM 0 H ALA A 62 -5.849 -3.058 -7.728 1.00 33.45 H new ATOM 0 HA ALA A 62 -3.536 -2.118 -6.231 1.00 62.12 H new ATOM 0 HB1 ALA A 62 -2.605 -1.767 -8.497 1.00 21.24 H new ATOM 0 HB2 ALA A 62 -3.238 -3.417 -8.292 1.00 21.24 H new ATOM 0 HB3 ALA A 62 -4.177 -2.211 -9.203 1.00 21.24 H new ATOM 944 N LYS A 63 -5.128 0.054 -6.041 1.00 1.13 N ATOM 945 CA LYS A 63 -5.484 1.465 -5.951 1.00 14.04 C ATOM 946 C LYS A 63 -4.380 2.343 -6.529 1.00 5.43 C ATOM 947 O LYS A 63 -4.641 3.240 -7.331 1.00 2.43 O ATOM 948 CB LYS A 63 -5.750 1.853 -4.494 1.00 44.22 C ATOM 949 CG LYS A 63 -5.914 3.348 -4.284 1.00 14.34 C ATOM 950 CD LYS A 63 -6.983 3.926 -5.196 1.00 72.44 C ATOM 951 CE LYS A 63 -8.357 3.359 -4.873 1.00 53.15 C ATOM 952 NZ LYS A 63 -8.877 3.871 -3.575 1.00 54.25 N ATOM 0 H LYS A 63 -5.386 -0.498 -5.223 1.00 1.13 H new ATOM 0 HA LYS A 63 -6.391 1.623 -6.534 1.00 14.04 H new ATOM 0 HB2 LYS A 63 -6.651 1.345 -4.150 1.00 44.22 H new ATOM 0 HB3 LYS A 63 -4.927 1.496 -3.875 1.00 44.22 H new ATOM 0 HG2 LYS A 63 -6.177 3.543 -3.244 1.00 14.34 H new ATOM 0 HG3 LYS A 63 -4.964 3.849 -4.472 1.00 14.34 H new ATOM 0 HD2 LYS A 63 -7.003 5.011 -5.093 1.00 72.44 H new ATOM 0 HD3 LYS A 63 -6.733 3.709 -6.234 1.00 72.44 H new ATOM 0 HE2 LYS A 63 -9.053 3.618 -5.671 1.00 53.15 H new ATOM 0 HE3 LYS A 63 -8.302 2.271 -4.838 1.00 53.15 H new ATOM 0 HZ1 LYS A 63 -9.217 3.075 -2.999 1.00 54.25 H new ATOM 0 HZ2 LYS A 63 -8.116 4.366 -3.067 1.00 54.25 H new ATOM 0 HZ3 LYS A 63 -9.662 4.530 -3.751 1.00 54.25 H new ATOM 966 N LYS A 64 -3.144 2.079 -6.118 1.00 1.11 N ATOM 967 CA LYS A 64 -1.998 2.843 -6.597 1.00 10.13 C ATOM 968 C LYS A 64 -0.940 1.921 -7.194 1.00 32.30 C ATOM 969 O LYS A 64 -0.138 1.330 -6.471 1.00 61.41 O ATOM 970 CB LYS A 64 -1.391 3.661 -5.454 1.00 62.43 C ATOM 971 CG LYS A 64 -1.002 5.073 -5.857 1.00 22.43 C ATOM 972 CD LYS A 64 -2.020 6.091 -5.373 1.00 12.05 C ATOM 973 CE LYS A 64 -3.361 5.912 -6.067 1.00 74.32 C ATOM 974 NZ LYS A 64 -4.212 7.128 -5.953 1.00 14.33 N ATOM 0 H LYS A 64 -2.910 1.341 -5.454 1.00 1.11 H new ATOM 0 HA LYS A 64 -2.345 3.521 -7.377 1.00 10.13 H new ATOM 0 HB2 LYS A 64 -2.107 3.710 -4.634 1.00 62.43 H new ATOM 0 HB3 LYS A 64 -0.509 3.144 -5.077 1.00 62.43 H new ATOM 0 HG2 LYS A 64 -0.022 5.313 -5.445 1.00 22.43 H new ATOM 0 HG3 LYS A 64 -0.915 5.132 -6.942 1.00 22.43 H new ATOM 0 HD2 LYS A 64 -2.151 5.992 -4.295 1.00 12.05 H new ATOM 0 HD3 LYS A 64 -1.645 7.098 -5.558 1.00 12.05 H new ATOM 0 HE2 LYS A 64 -3.197 5.681 -7.120 1.00 74.32 H new ATOM 0 HE3 LYS A 64 -3.884 5.061 -5.632 1.00 74.32 H new ATOM 0 HZ1 LYS A 64 -5.117 6.965 -6.439 1.00 14.33 H new ATOM 0 HZ2 LYS A 64 -4.390 7.334 -4.949 1.00 14.33 H new ATOM 0 HZ3 LYS A 64 -3.724 7.935 -6.391 1.00 14.33 H new ATOM 988 N VAL A 65 -0.943 1.803 -8.518 1.00 55.11 N ATOM 989 CA VAL A 65 0.018 0.955 -9.213 1.00 34.34 C ATOM 990 C VAL A 65 1.141 1.784 -9.824 1.00 61.15 C ATOM 991 O VAL A 65 0.909 2.876 -10.342 1.00 52.51 O ATOM 992 CB VAL A 65 -0.661 0.131 -10.323 1.00 61.31 C ATOM 993 CG1 VAL A 65 0.018 0.377 -11.662 1.00 10.43 C ATOM 994 CG2 VAL A 65 -0.645 -1.350 -9.973 1.00 10.43 C ATOM 0 H VAL A 65 -1.601 2.284 -9.131 1.00 55.11 H new ATOM 0 HA VAL A 65 0.436 0.275 -8.471 1.00 34.34 H new ATOM 0 HB VAL A 65 -1.700 0.451 -10.405 1.00 61.31 H new ATOM 0 HG11 VAL A 65 -0.475 -0.214 -12.434 1.00 10.43 H new ATOM 0 HG12 VAL A 65 -0.050 1.435 -11.915 1.00 10.43 H new ATOM 0 HG13 VAL A 65 1.066 0.086 -11.597 1.00 10.43 H new ATOM 0 HG21 VAL A 65 -1.129 -1.917 -10.768 1.00 10.43 H new ATOM 0 HG22 VAL A 65 0.386 -1.687 -9.863 1.00 10.43 H new ATOM 0 HG23 VAL A 65 -1.181 -1.508 -9.037 1.00 10.43 H new ATOM 1004 N ARG A 66 2.360 1.257 -9.762 1.00 35.02 N ATOM 1005 CA ARG A 66 3.520 1.949 -10.309 1.00 62.13 C ATOM 1006 C ARG A 66 4.382 0.997 -11.133 1.00 61.31 C ATOM 1007 O ARG A 66 4.281 -0.223 -10.997 1.00 44.30 O ATOM 1008 CB ARG A 66 4.353 2.562 -9.182 1.00 43.34 C ATOM 1009 CG ARG A 66 3.550 3.449 -8.245 1.00 4.22 C ATOM 1010 CD ARG A 66 4.384 4.610 -7.725 1.00 65.32 C ATOM 1011 NE ARG A 66 4.350 5.756 -8.629 1.00 44.21 N ATOM 1012 CZ ARG A 66 4.917 6.926 -8.354 1.00 73.12 C ATOM 1013 NH1 ARG A 66 5.558 7.102 -7.207 1.00 50.53 N ATOM 1014 NH2 ARG A 66 4.843 7.922 -9.228 1.00 32.11 N ATOM 0 H ARG A 66 2.569 0.353 -9.338 1.00 35.02 H new ATOM 0 HA ARG A 66 3.162 2.745 -10.962 1.00 62.13 H new ATOM 0 HB2 ARG A 66 4.813 1.760 -8.604 1.00 43.34 H new ATOM 0 HB3 ARG A 66 5.163 3.147 -9.617 1.00 43.34 H new ATOM 0 HG2 ARG A 66 2.675 3.834 -8.768 1.00 4.22 H new ATOM 0 HG3 ARG A 66 3.185 2.857 -7.406 1.00 4.22 H new ATOM 0 HD2 ARG A 66 4.015 4.911 -6.744 1.00 65.32 H new ATOM 0 HD3 ARG A 66 5.416 4.284 -7.591 1.00 65.32 H new ATOM 0 HE ARG A 66 3.865 5.653 -9.520 1.00 44.21 H new ATOM 0 HH11 ARG A 66 5.617 6.338 -6.533 1.00 50.53 H new ATOM 0 HH12 ARG A 66 5.992 8.001 -6.998 1.00 50.53 H new ATOM 0 HH21 ARG A 66 4.351 7.790 -10.111 1.00 32.11 H new ATOM 0 HH22 ARG A 66 5.278 8.820 -9.016 1.00 32.11 H new ATOM 1028 N ARG A 67 5.228 1.562 -11.988 1.00 4.13 N ATOM 1029 CA ARG A 67 6.106 0.764 -12.835 1.00 24.23 C ATOM 1030 C ARG A 67 7.465 0.561 -12.171 1.00 3.22 C ATOM 1031 O ARG A 67 8.052 1.502 -11.635 1.00 53.11 O ATOM 1032 CB ARG A 67 6.287 1.437 -14.196 1.00 44.33 C ATOM 1033 CG ARG A 67 7.239 0.696 -15.121 1.00 4.04 C ATOM 1034 CD ARG A 67 7.174 1.239 -16.539 1.00 43.44 C ATOM 1035 NE ARG A 67 7.260 2.697 -16.572 1.00 21.02 N ATOM 1036 CZ ARG A 67 7.085 3.419 -17.673 1.00 4.21 C ATOM 1037 NH1 ARG A 67 6.816 2.822 -18.826 1.00 3.04 N ATOM 1038 NH2 ARG A 67 7.179 4.742 -17.622 1.00 63.21 N ATOM 0 H ARG A 67 5.324 2.570 -12.112 1.00 4.13 H new ATOM 0 HA ARG A 67 5.642 -0.212 -12.979 1.00 24.23 H new ATOM 0 HB2 ARG A 67 5.315 1.522 -14.682 1.00 44.33 H new ATOM 0 HB3 ARG A 67 6.657 2.451 -14.044 1.00 44.33 H new ATOM 0 HG2 ARG A 67 8.258 0.784 -14.743 1.00 4.04 H new ATOM 0 HG3 ARG A 67 6.991 -0.365 -15.125 1.00 4.04 H new ATOM 0 HD2 ARG A 67 7.988 0.815 -17.127 1.00 43.44 H new ATOM 0 HD3 ARG A 67 6.243 0.920 -17.007 1.00 43.44 H new ATOM 0 HE ARG A 67 7.466 3.187 -15.702 1.00 21.02 H new ATOM 0 HH11 ARG A 67 6.743 1.806 -18.869 1.00 3.04 H new ATOM 0 HH12 ARG A 67 6.682 3.379 -19.670 1.00 3.04 H new ATOM 0 HH21 ARG A 67 7.386 5.205 -16.737 1.00 63.21 H new ATOM 0 HH22 ARG A 67 7.045 5.296 -18.468 1.00 63.21 H new ATOM 1052 N ILE A 68 7.959 -0.672 -12.210 1.00 0.21 N ATOM 1053 CA ILE A 68 9.248 -0.997 -11.613 1.00 23.11 C ATOM 1054 C ILE A 68 10.051 -1.931 -12.512 1.00 75.42 C ATOM 1055 O ILE A 68 9.851 -3.146 -12.499 1.00 72.13 O ATOM 1056 CB ILE A 68 9.079 -1.654 -10.230 1.00 72.02 C ATOM 1057 CG1 ILE A 68 8.335 -0.712 -9.281 1.00 44.43 C ATOM 1058 CG2 ILE A 68 10.435 -2.033 -9.654 1.00 71.21 C ATOM 1059 CD1 ILE A 68 9.235 -0.044 -8.265 1.00 22.21 C ATOM 0 H ILE A 68 7.486 -1.462 -12.649 1.00 0.21 H new ATOM 0 HA ILE A 68 9.787 -0.057 -11.496 1.00 23.11 H new ATOM 0 HB ILE A 68 8.489 -2.563 -10.346 1.00 72.02 H new ATOM 0 HG12 ILE A 68 7.829 0.056 -9.867 1.00 44.43 H new ATOM 0 HG13 ILE A 68 7.562 -1.274 -8.756 1.00 44.43 H new ATOM 0 HG21 ILE A 68 10.299 -2.496 -8.677 1.00 71.21 H new ATOM 0 HG22 ILE A 68 10.931 -2.737 -10.323 1.00 71.21 H new ATOM 0 HG23 ILE A 68 11.049 -1.138 -9.549 1.00 71.21 H new ATOM 0 HD11 ILE A 68 8.641 0.609 -7.626 1.00 22.21 H new ATOM 0 HD12 ILE A 68 9.721 -0.804 -7.654 1.00 22.21 H new ATOM 0 HD13 ILE A 68 9.992 0.545 -8.782 1.00 22.21 H new