USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 527 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 1 MET CE :methyl 179:sc= 0 (180deg=-0.00303) USER MOD Single : A 1 MET N :NH3+ 147:sc= -0.559 (180deg=-0.813) 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= 0.029 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.541 X(o=-0.54,f=-0.46) 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= -7.07! K(o=-7.1!,f=-0.27) USER MOD Single : A 20 GLN : amide:sc= -2.38 K(o=-2.4,f=-5.1!) USER MOD Single : A 29 HIS : no HD1:sc= -2.59 X(o=-2.6,f=-2.9) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.039 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0122 X(o=-0.012,f=-0.012) USER MOD Single : A 46 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.048) USER MOD Single : A 58 LYS NZ :NH3+ 159:sc= -0.0162 (180deg=-0.194) USER MOD Single : A 61 GLN : amide:sc= -2.16 K(o=-2.2,f=-8.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.213 0.249 -0.168 1.00 21.23 N ATOM 2 CA MET A 1 2.175 0.363 -1.258 1.00 3.04 C ATOM 3 C MET A 1 3.045 -0.887 -1.348 1.00 3.42 C ATOM 4 O MET A 1 4.071 -0.991 -0.675 1.00 63.42 O ATOM 5 CB MET A 1 3.056 1.599 -1.062 1.00 32.33 C ATOM 6 CG MET A 1 4.043 1.827 -2.195 1.00 3.05 C ATOM 7 SD MET A 1 4.624 3.532 -2.277 1.00 55.20 S ATOM 8 CE MET A 1 5.549 3.649 -0.748 1.00 12.32 C ATOM 0 H1 MET A 1 1.042 1.189 0.243 1.00 21.23 H new ATOM 0 H2 MET A 1 0.319 -0.138 -0.533 1.00 21.23 H new ATOM 0 H3 MET A 1 1.591 -0.386 0.564 1.00 21.23 H new ATOM 0 HA MET A 1 1.620 0.466 -2.190 1.00 3.04 H new ATOM 0 HB2 MET A 1 2.419 2.478 -0.964 1.00 32.33 H new ATOM 0 HB3 MET A 1 3.606 1.498 -0.126 1.00 32.33 H new ATOM 0 HG2 MET A 1 4.897 1.162 -2.067 1.00 3.05 H new ATOM 0 HG3 MET A 1 3.572 1.562 -3.141 1.00 3.05 H new ATOM 0 HE1 MET A 1 5.987 4.644 -0.663 1.00 12.32 H new ATOM 0 HE2 MET A 1 4.882 3.473 0.095 1.00 12.32 H new ATOM 0 HE3 MET A 1 6.343 2.902 -0.745 1.00 12.32 H new ATOM 18 N LYS A 2 2.629 -1.833 -2.183 1.00 3.23 N ATOM 19 CA LYS A 2 3.371 -3.076 -2.362 1.00 55.52 C ATOM 20 C LYS A 2 4.045 -3.114 -3.730 1.00 34.31 C ATOM 21 O LYS A 2 3.696 -2.347 -4.628 1.00 30.14 O ATOM 22 CB LYS A 2 2.436 -4.278 -2.208 1.00 41.41 C ATOM 23 CG LYS A 2 1.893 -4.450 -0.800 1.00 5.31 C ATOM 24 CD LYS A 2 2.923 -5.083 0.121 1.00 60.12 C ATOM 25 CE LYS A 2 2.296 -5.535 1.431 1.00 41.30 C ATOM 26 NZ LYS A 2 2.567 -4.573 2.536 1.00 74.34 N ATOM 0 H LYS A 2 1.782 -1.763 -2.747 1.00 3.23 H new ATOM 0 HA LYS A 2 4.143 -3.124 -1.594 1.00 55.52 H new ATOM 0 HB2 LYS A 2 1.601 -4.169 -2.900 1.00 41.41 H new ATOM 0 HB3 LYS A 2 2.971 -5.183 -2.495 1.00 41.41 H new ATOM 0 HG2 LYS A 2 1.596 -3.480 -0.403 1.00 5.31 H new ATOM 0 HG3 LYS A 2 0.998 -5.071 -0.828 1.00 5.31 H new ATOM 0 HD2 LYS A 2 3.382 -5.937 -0.377 1.00 60.12 H new ATOM 0 HD3 LYS A 2 3.719 -4.367 0.325 1.00 60.12 H new ATOM 0 HE2 LYS A 2 1.219 -5.644 1.300 1.00 41.30 H new ATOM 0 HE3 LYS A 2 2.685 -6.517 1.700 1.00 41.30 H new ATOM 0 HZ1 LYS A 2 2.123 -4.916 3.412 1.00 74.34 H new ATOM 0 HZ2 LYS A 2 3.594 -4.488 2.678 1.00 74.34 H new ATOM 0 HZ3 LYS A 2 2.173 -3.642 2.290 1.00 74.34 H new ATOM 40 N LYS A 3 5.011 -4.013 -3.883 1.00 31.31 N ATOM 41 CA LYS A 3 5.733 -4.155 -5.142 1.00 14.11 C ATOM 42 C LYS A 3 5.913 -5.626 -5.503 1.00 42.22 C ATOM 43 O LYS A 3 6.307 -6.437 -4.666 1.00 40.21 O ATOM 44 CB LYS A 3 7.098 -3.470 -5.051 1.00 1.14 C ATOM 45 CG LYS A 3 7.034 -2.056 -4.498 1.00 73.44 C ATOM 46 CD LYS A 3 8.401 -1.393 -4.504 1.00 13.12 C ATOM 47 CE LYS A 3 9.363 -2.091 -3.554 1.00 54.54 C ATOM 48 NZ LYS A 3 10.482 -1.198 -3.144 1.00 71.11 N ATOM 0 H LYS A 3 5.312 -4.655 -3.150 1.00 31.31 H new ATOM 0 HA LYS A 3 5.145 -3.676 -5.925 1.00 14.11 H new ATOM 0 HB2 LYS A 3 7.754 -4.069 -4.419 1.00 1.14 H new ATOM 0 HB3 LYS A 3 7.548 -3.443 -6.043 1.00 1.14 H new ATOM 0 HG2 LYS A 3 6.338 -1.463 -5.092 1.00 73.44 H new ATOM 0 HG3 LYS A 3 6.644 -2.080 -3.480 1.00 73.44 H new ATOM 0 HD2 LYS A 3 8.810 -1.409 -5.514 1.00 13.12 H new ATOM 0 HD3 LYS A 3 8.300 -0.346 -4.217 1.00 13.12 H new ATOM 0 HE2 LYS A 3 8.821 -2.425 -2.669 1.00 54.54 H new ATOM 0 HE3 LYS A 3 9.767 -2.982 -4.035 1.00 54.54 H new ATOM 0 HZ1 LYS A 3 11.115 -1.710 -2.497 1.00 71.11 H new ATOM 0 HZ2 LYS A 3 11.014 -0.900 -3.986 1.00 71.11 H new ATOM 0 HZ3 LYS A 3 10.099 -0.360 -2.662 1.00 71.11 H new ATOM 62 N GLY A 4 5.624 -5.963 -6.756 1.00 54.25 N ATOM 63 CA GLY A 4 5.762 -7.336 -7.206 1.00 53.43 C ATOM 64 C GLY A 4 5.676 -7.463 -8.714 1.00 74.12 C ATOM 65 O GLY A 4 5.358 -6.498 -9.410 1.00 43.30 O ATOM 0 H GLY A 4 5.297 -5.310 -7.468 1.00 54.25 H new ATOM 0 HA2 GLY A 4 6.718 -7.733 -6.865 1.00 53.43 H new ATOM 0 HA3 GLY A 4 4.983 -7.945 -6.748 1.00 53.43 H new ATOM 69 N THR A 5 5.960 -8.658 -9.223 1.00 3.10 N ATOM 70 CA THR A 5 5.916 -8.908 -10.658 1.00 44.21 C ATOM 71 C THR A 5 4.479 -9.025 -11.152 1.00 50.31 C ATOM 72 O THR A 5 3.570 -9.333 -10.381 1.00 61.43 O ATOM 73 CB THR A 5 6.681 -10.193 -11.028 1.00 75.02 C ATOM 74 OG1 THR A 5 6.455 -11.200 -10.036 1.00 33.22 O ATOM 75 CG2 THR A 5 8.172 -9.920 -11.150 1.00 40.44 C ATOM 0 H THR A 5 6.223 -9.468 -8.662 1.00 3.10 H new ATOM 0 HA THR A 5 6.395 -8.057 -11.142 1.00 44.21 H new ATOM 0 HB THR A 5 6.312 -10.544 -11.992 1.00 75.02 H new ATOM 0 HG1 THR A 5 6.943 -12.014 -10.279 1.00 33.22 H new ATOM 0 HG21 THR A 5 8.691 -10.842 -11.412 1.00 40.44 H new ATOM 0 HG22 THR A 5 8.343 -9.175 -11.927 1.00 40.44 H new ATOM 0 HG23 THR A 5 8.553 -9.547 -10.199 1.00 40.44 H new ATOM 83 N VAL A 6 4.280 -8.777 -12.443 1.00 14.22 N ATOM 84 CA VAL A 6 2.952 -8.856 -13.040 1.00 61.23 C ATOM 85 C VAL A 6 2.739 -10.199 -13.729 1.00 61.35 C ATOM 86 O VAL A 6 3.590 -10.662 -14.489 1.00 63.11 O ATOM 87 CB VAL A 6 2.728 -7.726 -14.062 1.00 41.14 C ATOM 88 CG1 VAL A 6 3.639 -7.907 -15.267 1.00 3.31 C ATOM 89 CG2 VAL A 6 1.269 -7.676 -14.490 1.00 61.20 C ATOM 0 H VAL A 6 5.021 -8.520 -13.095 1.00 14.22 H new ATOM 0 HA VAL A 6 2.233 -8.749 -12.228 1.00 61.23 H new ATOM 0 HB VAL A 6 2.977 -6.777 -13.588 1.00 41.14 H new ATOM 0 HG11 VAL A 6 3.466 -7.099 -15.978 1.00 3.31 H new ATOM 0 HG12 VAL A 6 4.679 -7.889 -14.943 1.00 3.31 H new ATOM 0 HG13 VAL A 6 3.425 -8.863 -15.745 1.00 3.31 H new ATOM 0 HG21 VAL A 6 1.129 -6.872 -15.212 1.00 61.20 H new ATOM 0 HG22 VAL A 6 0.991 -8.626 -14.946 1.00 61.20 H new ATOM 0 HG23 VAL A 6 0.640 -7.494 -13.618 1.00 61.20 H new ATOM 99 N LYS A 7 1.596 -10.822 -13.460 1.00 5.41 N ATOM 100 CA LYS A 7 1.269 -12.112 -14.055 1.00 14.22 C ATOM 101 C LYS A 7 0.775 -11.940 -15.488 1.00 32.52 C ATOM 102 O LYS A 7 1.048 -12.774 -16.352 1.00 12.31 O ATOM 103 CB LYS A 7 0.204 -12.826 -13.219 1.00 72.02 C ATOM 104 CG LYS A 7 0.635 -14.197 -12.727 1.00 4.52 C ATOM 105 CD LYS A 7 0.163 -14.453 -11.305 1.00 41.45 C ATOM 106 CE LYS A 7 -1.254 -15.005 -11.280 1.00 23.30 C ATOM 107 NZ LYS A 7 -1.270 -16.481 -11.082 1.00 61.12 N ATOM 0 H LYS A 7 0.881 -10.454 -12.833 1.00 5.41 H new ATOM 0 HA LYS A 7 2.175 -12.717 -14.072 1.00 14.22 H new ATOM 0 HB2 LYS A 7 -0.049 -12.204 -12.360 1.00 72.02 H new ATOM 0 HB3 LYS A 7 -0.703 -12.931 -13.814 1.00 72.02 H new ATOM 0 HG2 LYS A 7 0.233 -14.965 -13.388 1.00 4.52 H new ATOM 0 HG3 LYS A 7 1.721 -14.275 -12.770 1.00 4.52 H new ATOM 0 HD2 LYS A 7 0.838 -15.157 -10.818 1.00 41.45 H new ATOM 0 HD3 LYS A 7 0.204 -13.525 -10.734 1.00 41.45 H new ATOM 0 HE2 LYS A 7 -1.817 -14.525 -10.479 1.00 23.30 H new ATOM 0 HE3 LYS A 7 -1.757 -14.758 -12.215 1.00 23.30 H new ATOM 0 HZ1 LYS A 7 -2.253 -16.819 -11.071 1.00 61.12 H new ATOM 0 HZ2 LYS A 7 -0.755 -16.941 -11.859 1.00 61.12 H new ATOM 0 HZ3 LYS A 7 -0.813 -16.715 -10.177 1.00 61.12 H new ATOM 121 N TRP A 8 0.049 -10.856 -15.733 1.00 12.35 N ATOM 122 CA TRP A 8 -0.481 -10.575 -17.062 1.00 75.10 C ATOM 123 C TRP A 8 -1.195 -9.228 -17.090 1.00 42.13 C ATOM 124 O TRP A 8 -1.822 -8.826 -16.110 1.00 40.11 O ATOM 125 CB TRP A 8 -1.442 -11.684 -17.495 1.00 0.11 C ATOM 126 CG TRP A 8 -2.561 -11.912 -16.525 1.00 33.43 C ATOM 127 CD1 TRP A 8 -3.587 -11.057 -16.241 1.00 14.00 C ATOM 128 CD2 TRP A 8 -2.766 -13.072 -15.710 1.00 4.44 C ATOM 129 NE1 TRP A 8 -4.417 -11.615 -15.298 1.00 52.43 N ATOM 130 CE2 TRP A 8 -3.935 -12.851 -14.957 1.00 15.53 C ATOM 131 CE3 TRP A 8 -2.076 -14.275 -15.544 1.00 25.42 C ATOM 132 CZ2 TRP A 8 -4.427 -13.789 -14.053 1.00 0.41 C ATOM 133 CZ3 TRP A 8 -2.564 -15.205 -14.646 1.00 75.21 C ATOM 134 CH2 TRP A 8 -3.731 -14.958 -13.911 1.00 33.35 C ATOM 0 H TRP A 8 -0.186 -10.157 -15.029 1.00 12.35 H new ATOM 0 HA TRP A 8 0.356 -10.536 -17.759 1.00 75.10 H new ATOM 0 HB2 TRP A 8 -1.861 -11.432 -18.469 1.00 0.11 H new ATOM 0 HB3 TRP A 8 -0.883 -12.612 -17.619 1.00 0.11 H new ATOM 0 HD1 TRP A 8 -3.726 -10.085 -16.691 1.00 14.00 H new ATOM 0 HE1 TRP A 8 -5.256 -11.179 -14.914 1.00 52.43 H new ATOM 0 HE3 TRP A 8 -1.177 -14.475 -16.108 1.00 25.42 H new ATOM 0 HZ2 TRP A 8 -5.326 -13.600 -13.485 1.00 0.41 H new ATOM 0 HZ3 TRP A 8 -2.037 -16.138 -14.508 1.00 75.21 H new ATOM 0 HH2 TRP A 8 -4.088 -15.706 -13.218 1.00 33.35 H new ATOM 145 N PHE A 9 -1.095 -8.534 -18.219 1.00 74.14 N ATOM 146 CA PHE A 9 -1.731 -7.231 -18.374 1.00 51.14 C ATOM 147 C PHE A 9 -2.402 -7.112 -19.740 1.00 4.21 C ATOM 148 O PHE A 9 -1.735 -7.129 -20.774 1.00 13.32 O ATOM 149 CB PHE A 9 -0.701 -6.113 -18.200 1.00 64.25 C ATOM 150 CG PHE A 9 -1.310 -4.742 -18.128 1.00 62.23 C ATOM 151 CD1 PHE A 9 -1.693 -4.203 -16.911 1.00 22.23 C ATOM 152 CD2 PHE A 9 -1.499 -3.992 -19.278 1.00 22.31 C ATOM 153 CE1 PHE A 9 -2.254 -2.942 -16.842 1.00 33.23 C ATOM 154 CE2 PHE A 9 -2.059 -2.730 -19.215 1.00 74.41 C ATOM 155 CZ PHE A 9 -2.437 -2.204 -17.995 1.00 63.41 C ATOM 0 H PHE A 9 -0.580 -8.852 -19.040 1.00 74.14 H new ATOM 0 HA PHE A 9 -2.496 -7.134 -17.603 1.00 51.14 H new ATOM 0 HB2 PHE A 9 -0.129 -6.296 -17.291 1.00 64.25 H new ATOM 0 HB3 PHE A 9 0.003 -6.146 -19.032 1.00 64.25 H new ATOM 0 HD1 PHE A 9 -1.552 -4.775 -16.006 1.00 22.23 H new ATOM 0 HD2 PHE A 9 -1.205 -4.398 -20.235 1.00 22.31 H new ATOM 0 HE1 PHE A 9 -2.549 -2.534 -15.887 1.00 33.23 H new ATOM 0 HE2 PHE A 9 -2.201 -2.156 -20.119 1.00 74.41 H new ATOM 0 HZ PHE A 9 -2.875 -1.218 -17.943 1.00 63.41 H new ATOM 165 N ASN A 10 -3.725 -6.992 -19.734 1.00 33.00 N ATOM 166 CA ASN A 10 -4.487 -6.871 -20.972 1.00 33.34 C ATOM 167 C ASN A 10 -4.833 -5.413 -21.258 1.00 22.13 C ATOM 168 O ASN A 10 -5.544 -4.770 -20.486 1.00 74.44 O ATOM 169 CB ASN A 10 -5.768 -7.704 -20.889 1.00 53.15 C ATOM 170 CG ASN A 10 -6.311 -8.067 -22.258 1.00 42.23 C ATOM 171 OD1 ASN A 10 -5.561 -8.468 -23.149 1.00 14.11 O ATOM 172 ND2 ASN A 10 -7.620 -7.927 -22.432 1.00 1.21 N ATOM 0 H ASN A 10 -4.292 -6.976 -18.886 1.00 33.00 H new ATOM 0 HA ASN A 10 -3.869 -7.246 -21.788 1.00 33.34 H new ATOM 0 HB2 ASN A 10 -5.569 -8.616 -20.326 1.00 53.15 H new ATOM 0 HB3 ASN A 10 -6.525 -7.147 -20.337 1.00 53.15 H new ATOM 0 HD21 ASN A 10 -8.042 -8.155 -23.332 1.00 1.21 H new ATOM 0 HD22 ASN A 10 -8.203 -7.591 -21.666 1.00 1.21 H new ATOM 179 N ALA A 11 -4.324 -4.898 -22.372 1.00 41.21 N ATOM 180 CA ALA A 11 -4.581 -3.517 -22.762 1.00 5.12 C ATOM 181 C ALA A 11 -5.892 -3.398 -23.531 1.00 30.14 C ATOM 182 O ALA A 11 -6.491 -2.325 -23.591 1.00 41.12 O ATOM 183 CB ALA A 11 -3.427 -2.981 -23.596 1.00 62.04 C ATOM 0 H ALA A 11 -3.731 -5.416 -23.020 1.00 41.21 H new ATOM 0 HA ALA A 11 -4.668 -2.919 -21.854 1.00 5.12 H new ATOM 0 HB1 ALA A 11 -3.632 -1.949 -23.880 1.00 62.04 H new ATOM 0 HB2 ALA A 11 -2.507 -3.021 -23.012 1.00 62.04 H new ATOM 0 HB3 ALA A 11 -3.314 -3.589 -24.494 1.00 62.04 H new ATOM 189 N GLU A 12 -6.332 -4.507 -24.117 1.00 23.32 N ATOM 190 CA GLU A 12 -7.572 -4.525 -24.883 1.00 71.32 C ATOM 191 C GLU A 12 -8.775 -4.277 -23.977 1.00 61.44 C ATOM 192 O GLU A 12 -9.816 -3.795 -24.425 1.00 65.55 O ATOM 193 CB GLU A 12 -7.732 -5.864 -25.606 1.00 64.51 C ATOM 194 CG GLU A 12 -7.080 -5.897 -26.978 1.00 65.01 C ATOM 195 CD GLU A 12 -7.196 -7.253 -27.647 1.00 42.32 C ATOM 196 OE1 GLU A 12 -7.646 -8.208 -26.980 1.00 40.44 O ATOM 197 OE2 GLU A 12 -6.836 -7.358 -28.839 1.00 34.23 O ATOM 0 H GLU A 12 -5.848 -5.404 -24.076 1.00 23.32 H new ATOM 0 HA GLU A 12 -7.524 -3.725 -25.622 1.00 71.32 H new ATOM 0 HB2 GLU A 12 -7.302 -6.654 -24.990 1.00 64.51 H new ATOM 0 HB3 GLU A 12 -8.794 -6.085 -25.712 1.00 64.51 H new ATOM 0 HG2 GLU A 12 -7.542 -5.142 -27.614 1.00 65.01 H new ATOM 0 HG3 GLU A 12 -6.027 -5.632 -26.882 1.00 65.01 H new ATOM 204 N LYS A 13 -8.625 -4.611 -22.700 1.00 42.20 N ATOM 205 CA LYS A 13 -9.697 -4.425 -21.729 1.00 45.31 C ATOM 206 C LYS A 13 -9.302 -3.398 -20.673 1.00 4.41 C ATOM 207 O LYS A 13 -10.115 -2.571 -20.262 1.00 61.11 O ATOM 208 CB LYS A 13 -10.041 -5.756 -21.058 1.00 20.05 C ATOM 209 CG LYS A 13 -10.755 -6.733 -21.975 1.00 73.20 C ATOM 210 CD LYS A 13 -12.256 -6.728 -21.736 1.00 1.41 C ATOM 211 CE LYS A 13 -12.998 -6.035 -22.869 1.00 32.34 C ATOM 212 NZ LYS A 13 -13.262 -6.960 -24.006 1.00 2.12 N ATOM 0 H LYS A 13 -7.771 -5.012 -22.313 1.00 42.20 H new ATOM 0 HA LYS A 13 -10.574 -4.055 -22.260 1.00 45.31 H new ATOM 0 HB2 LYS A 13 -9.123 -6.217 -20.694 1.00 20.05 H new ATOM 0 HB3 LYS A 13 -10.668 -5.563 -20.188 1.00 20.05 H new ATOM 0 HG2 LYS A 13 -10.550 -6.474 -23.014 1.00 73.20 H new ATOM 0 HG3 LYS A 13 -10.363 -7.737 -21.814 1.00 73.20 H new ATOM 0 HD2 LYS A 13 -12.614 -7.753 -21.639 1.00 1.41 H new ATOM 0 HD3 LYS A 13 -12.474 -6.224 -20.795 1.00 1.41 H new ATOM 0 HE2 LYS A 13 -13.943 -5.639 -22.496 1.00 32.34 H new ATOM 0 HE3 LYS A 13 -12.413 -5.185 -23.220 1.00 32.34 H new ATOM 0 HZ1 LYS A 13 -13.769 -6.450 -24.758 1.00 2.12 H new ATOM 0 HZ2 LYS A 13 -12.360 -7.318 -24.379 1.00 2.12 H new ATOM 0 HZ3 LYS A 13 -13.842 -7.758 -23.677 1.00 2.12 H new ATOM 226 N GLY A 14 -8.046 -3.455 -20.238 1.00 33.11 N ATOM 227 CA GLY A 14 -7.566 -2.523 -19.234 1.00 64.54 C ATOM 228 C GLY A 14 -7.543 -3.129 -17.845 1.00 14.42 C ATOM 229 O GLY A 14 -8.062 -2.540 -16.896 1.00 22.24 O ATOM 0 H GLY A 14 -7.353 -4.129 -20.563 1.00 33.11 H new ATOM 0 HA2 GLY A 14 -6.562 -2.193 -19.500 1.00 64.54 H new ATOM 0 HA3 GLY A 14 -8.202 -1.638 -19.231 1.00 64.54 H new ATOM 233 N TYR A 15 -6.943 -4.308 -17.724 1.00 54.54 N ATOM 234 CA TYR A 15 -6.860 -4.995 -16.441 1.00 44.12 C ATOM 235 C TYR A 15 -5.557 -5.782 -16.329 1.00 13.44 C ATOM 236 O TYR A 15 -4.850 -5.979 -17.316 1.00 13.40 O ATOM 237 CB TYR A 15 -8.053 -5.935 -16.263 1.00 52.24 C ATOM 238 CG TYR A 15 -7.965 -7.191 -17.101 1.00 11.50 C ATOM 239 CD1 TYR A 15 -7.293 -8.314 -16.636 1.00 34.24 C ATOM 240 CD2 TYR A 15 -8.555 -7.254 -18.358 1.00 4.53 C ATOM 241 CE1 TYR A 15 -7.210 -9.463 -17.398 1.00 22.12 C ATOM 242 CE2 TYR A 15 -8.477 -8.399 -19.126 1.00 53.13 C ATOM 243 CZ TYR A 15 -7.804 -9.501 -18.642 1.00 45.33 C ATOM 244 OH TYR A 15 -7.724 -10.644 -19.404 1.00 43.11 O ATOM 0 H TYR A 15 -6.507 -4.808 -18.499 1.00 54.54 H new ATOM 0 HA TYR A 15 -6.879 -4.242 -15.653 1.00 44.12 H new ATOM 0 HB2 TYR A 15 -8.131 -6.214 -15.212 1.00 52.24 H new ATOM 0 HB3 TYR A 15 -8.968 -5.400 -16.520 1.00 52.24 H new ATOM 0 HD1 TYR A 15 -6.827 -8.288 -15.662 1.00 34.24 H new ATOM 0 HD2 TYR A 15 -9.083 -6.393 -18.740 1.00 4.53 H new ATOM 0 HE1 TYR A 15 -6.683 -10.327 -17.022 1.00 22.12 H new ATOM 0 HE2 TYR A 15 -8.941 -8.431 -20.101 1.00 53.13 H new ATOM 0 HH TYR A 15 -8.195 -10.506 -20.252 1.00 43.11 H new ATOM 254 N GLY A 16 -5.247 -6.230 -15.116 1.00 11.12 N ATOM 255 CA GLY A 16 -4.031 -6.991 -14.895 1.00 12.43 C ATOM 256 C GLY A 16 -3.951 -7.560 -13.492 1.00 65.02 C ATOM 257 O GLY A 16 -4.782 -7.249 -12.639 1.00 71.03 O ATOM 0 H GLY A 16 -5.816 -6.080 -14.283 1.00 11.12 H new ATOM 0 HA2 GLY A 16 -3.979 -7.805 -15.618 1.00 12.43 H new ATOM 0 HA3 GLY A 16 -3.167 -6.350 -15.074 1.00 12.43 H new ATOM 261 N PHE A 17 -2.947 -8.398 -13.252 1.00 74.04 N ATOM 262 CA PHE A 17 -2.763 -9.015 -11.944 1.00 2.21 C ATOM 263 C PHE A 17 -1.297 -8.967 -11.522 1.00 70.53 C ATOM 264 O PHE A 17 -0.403 -9.278 -12.310 1.00 73.44 O ATOM 265 CB PHE A 17 -3.252 -10.464 -11.966 1.00 72.32 C ATOM 266 CG PHE A 17 -4.725 -10.604 -11.708 1.00 12.32 C ATOM 267 CD1 PHE A 17 -5.650 -10.169 -12.643 1.00 53.31 C ATOM 268 CD2 PHE A 17 -5.185 -11.169 -10.529 1.00 62.23 C ATOM 269 CE1 PHE A 17 -7.007 -10.296 -12.409 1.00 4.23 C ATOM 270 CE2 PHE A 17 -6.540 -11.299 -10.290 1.00 23.24 C ATOM 271 CZ PHE A 17 -7.452 -10.861 -11.230 1.00 3.12 C ATOM 0 H PHE A 17 -2.249 -8.665 -13.946 1.00 74.04 H new ATOM 0 HA PHE A 17 -3.351 -8.452 -11.219 1.00 2.21 H new ATOM 0 HB2 PHE A 17 -3.018 -10.903 -12.936 1.00 72.32 H new ATOM 0 HB3 PHE A 17 -2.704 -11.035 -11.217 1.00 72.32 H new ATOM 0 HD1 PHE A 17 -5.307 -9.725 -13.566 1.00 53.31 H new ATOM 0 HD2 PHE A 17 -4.477 -11.511 -9.789 1.00 62.23 H new ATOM 0 HE1 PHE A 17 -7.718 -9.954 -13.147 1.00 4.23 H new ATOM 0 HE2 PHE A 17 -6.886 -11.743 -9.368 1.00 23.24 H new ATOM 0 HZ PHE A 17 -8.511 -10.960 -11.043 1.00 3.12 H new ATOM 281 N ILE A 18 -1.059 -8.576 -10.275 1.00 62.02 N ATOM 282 CA ILE A 18 0.298 -8.488 -9.749 1.00 35.35 C ATOM 283 C ILE A 18 0.484 -9.417 -8.554 1.00 24.32 C ATOM 284 O ILE A 18 -0.445 -9.641 -7.778 1.00 44.42 O ATOM 285 CB ILE A 18 0.645 -7.049 -9.325 1.00 11.03 C ATOM 286 CG1 ILE A 18 0.449 -6.087 -10.498 1.00 62.14 C ATOM 287 CG2 ILE A 18 2.074 -6.979 -8.808 1.00 63.33 C ATOM 288 CD1 ILE A 18 0.149 -4.667 -10.072 1.00 73.23 C ATOM 0 H ILE A 18 -1.787 -8.315 -9.610 1.00 62.02 H new ATOM 0 HA ILE A 18 0.969 -8.793 -10.552 1.00 35.35 H new ATOM 0 HB ILE A 18 -0.027 -6.751 -8.520 1.00 11.03 H new ATOM 0 HG12 ILE A 18 1.348 -6.090 -11.114 1.00 62.14 H new ATOM 0 HG13 ILE A 18 -0.367 -6.450 -11.123 1.00 62.14 H new ATOM 0 HG21 ILE A 18 2.304 -5.955 -8.512 1.00 63.33 H new ATOM 0 HG22 ILE A 18 2.182 -7.639 -7.947 1.00 63.33 H new ATOM 0 HG23 ILE A 18 2.761 -7.293 -9.594 1.00 63.33 H new ATOM 0 HD11 ILE A 18 0.022 -4.041 -10.955 1.00 73.23 H new ATOM 0 HD12 ILE A 18 -0.767 -4.650 -9.481 1.00 73.23 H new ATOM 0 HD13 ILE A 18 0.975 -4.285 -9.472 1.00 73.23 H new ATOM 300 N GLN A 19 1.692 -9.954 -8.412 1.00 0.03 N ATOM 301 CA GLN A 19 2.001 -10.858 -7.310 1.00 71.01 C ATOM 302 C GLN A 19 3.141 -10.309 -6.459 1.00 20.22 C ATOM 303 O GLN A 19 4.221 -10.013 -6.969 1.00 0.32 O ATOM 304 CB GLN A 19 2.370 -12.242 -7.847 1.00 32.23 C ATOM 305 CG GLN A 19 3.517 -12.222 -8.844 1.00 20.21 C ATOM 306 CD GLN A 19 3.046 -12.363 -10.278 1.00 2.00 C ATOM 307 OE1 GLN A 19 3.661 -13.068 -11.079 1.00 35.42 O ATOM 308 NE2 GLN A 19 1.950 -11.691 -10.610 1.00 43.23 N ATOM 0 H GLN A 19 2.472 -9.779 -9.046 1.00 0.03 H new ATOM 0 HA GLN A 19 1.113 -10.944 -6.683 1.00 71.01 H new ATOM 0 HB2 GLN A 19 2.638 -12.887 -7.011 1.00 32.23 H new ATOM 0 HB3 GLN A 19 1.494 -12.683 -8.322 1.00 32.23 H new ATOM 0 HG2 GLN A 19 4.070 -11.289 -8.737 1.00 20.21 H new ATOM 0 HG3 GLN A 19 4.209 -13.031 -8.612 1.00 20.21 H new ATOM 0 HE21 GLN A 19 1.472 -11.119 -9.914 1.00 43.23 H new ATOM 0 HE22 GLN A 19 1.586 -11.747 -11.561 1.00 43.23 H new ATOM 317 N GLN A 20 2.892 -10.176 -5.160 1.00 22.41 N ATOM 318 CA GLN A 20 3.898 -9.662 -4.239 1.00 5.14 C ATOM 319 C GLN A 20 4.557 -10.797 -3.462 1.00 61.53 C ATOM 320 O GLN A 20 4.296 -11.972 -3.722 1.00 3.41 O ATOM 321 CB GLN A 20 3.268 -8.663 -3.267 1.00 54.11 C ATOM 322 CG GLN A 20 1.978 -9.161 -2.635 1.00 12.41 C ATOM 323 CD GLN A 20 1.644 -8.439 -1.344 1.00 51.44 C ATOM 324 OE1 GLN A 20 2.503 -8.258 -0.481 1.00 14.24 O ATOM 325 NE2 GLN A 20 0.391 -8.021 -1.207 1.00 11.14 N ATOM 0 H GLN A 20 2.003 -10.417 -4.722 1.00 22.41 H new ATOM 0 HA GLN A 20 4.664 -9.155 -4.826 1.00 5.14 H new ATOM 0 HB2 GLN A 20 3.985 -8.435 -2.478 1.00 54.11 H new ATOM 0 HB3 GLN A 20 3.068 -7.731 -3.796 1.00 54.11 H new ATOM 0 HG2 GLN A 20 1.158 -9.032 -3.342 1.00 12.41 H new ATOM 0 HG3 GLN A 20 2.063 -10.230 -2.438 1.00 12.41 H new ATOM 0 HE21 GLN A 20 -0.288 -8.193 -1.948 1.00 11.14 H new ATOM 0 HE22 GLN A 20 0.108 -7.528 -0.360 1.00 11.14 H new ATOM 334 N GLU A 21 5.412 -10.439 -2.509 1.00 51.45 N ATOM 335 CA GLU A 21 6.109 -11.429 -1.697 1.00 14.23 C ATOM 336 C GLU A 21 5.126 -12.206 -0.825 1.00 41.13 C ATOM 337 O GLU A 21 5.407 -13.327 -0.405 1.00 23.55 O ATOM 338 CB GLU A 21 7.161 -10.750 -0.817 1.00 71.23 C ATOM 339 CG GLU A 21 6.570 -9.854 0.258 1.00 55.23 C ATOM 340 CD GLU A 21 6.254 -10.606 1.536 1.00 74.22 C ATOM 341 OE1 GLU A 21 7.063 -11.471 1.931 1.00 34.22 O ATOM 342 OE2 GLU A 21 5.197 -10.329 2.141 1.00 74.13 O ATOM 0 H GLU A 21 5.638 -9.471 -2.281 1.00 51.45 H new ATOM 0 HA GLU A 21 6.605 -12.129 -2.369 1.00 14.23 H new ATOM 0 HB2 GLU A 21 7.775 -11.516 -0.343 1.00 71.23 H new ATOM 0 HB3 GLU A 21 7.823 -10.157 -1.449 1.00 71.23 H new ATOM 0 HG2 GLU A 21 7.270 -9.048 0.479 1.00 55.23 H new ATOM 0 HG3 GLU A 21 5.659 -9.391 -0.121 1.00 55.23 H new ATOM 349 N GLU A 22 3.973 -11.600 -0.559 1.00 21.12 N ATOM 350 CA GLU A 22 2.950 -12.235 0.264 1.00 52.34 C ATOM 351 C GLU A 22 2.632 -13.636 -0.249 1.00 74.32 C ATOM 352 O GLU A 22 2.961 -14.633 0.392 1.00 63.33 O ATOM 353 CB GLU A 22 1.678 -11.385 0.280 1.00 55.31 C ATOM 354 CG GLU A 22 1.609 -10.414 1.447 1.00 31.20 C ATOM 355 CD GLU A 22 0.629 -10.856 2.516 1.00 32.14 C ATOM 356 OE1 GLU A 22 -0.478 -11.310 2.157 1.00 4.41 O ATOM 357 OE2 GLU A 22 0.969 -10.748 3.713 1.00 23.42 O ATOM 0 H GLU A 22 3.724 -10.672 -0.901 1.00 21.12 H new ATOM 0 HA GLU A 22 3.336 -12.318 1.280 1.00 52.34 H new ATOM 0 HB2 GLU A 22 1.614 -10.824 -0.652 1.00 55.31 H new ATOM 0 HB3 GLU A 22 0.811 -12.045 0.315 1.00 55.31 H new ATOM 0 HG2 GLU A 22 2.600 -10.311 1.888 1.00 31.20 H new ATOM 0 HG3 GLU A 22 1.320 -9.429 1.079 1.00 31.20 H new ATOM 364 N GLY A 23 1.987 -13.703 -1.410 1.00 61.34 N ATOM 365 CA GLY A 23 1.634 -14.986 -1.990 1.00 21.12 C ATOM 366 C GLY A 23 0.621 -14.857 -3.110 1.00 31.21 C ATOM 367 O GLY A 23 0.922 -15.100 -4.279 1.00 35.42 O ATOM 0 H GLY A 23 1.703 -12.892 -1.959 1.00 61.34 H new ATOM 0 HA2 GLY A 23 2.534 -15.468 -2.372 1.00 21.12 H new ATOM 0 HA3 GLY A 23 1.230 -15.634 -1.212 1.00 21.12 H new ATOM 371 N PRO A 24 -0.613 -14.467 -2.755 1.00 64.43 N ATOM 372 CA PRO A 24 -1.699 -14.299 -3.725 1.00 61.11 C ATOM 373 C PRO A 24 -1.477 -13.101 -4.641 1.00 55.44 C ATOM 374 O PRO A 24 -0.598 -12.274 -4.397 1.00 31.40 O ATOM 375 CB PRO A 24 -2.930 -14.078 -2.843 1.00 54.33 C ATOM 376 CG PRO A 24 -2.390 -13.523 -1.570 1.00 72.15 C ATOM 377 CD PRO A 24 -1.042 -14.161 -1.381 1.00 4.55 C ATOM 0 HA PRO A 24 -1.785 -15.155 -4.394 1.00 61.11 H new ATOM 0 HB2 PRO A 24 -3.632 -13.387 -3.310 1.00 54.33 H new ATOM 0 HB3 PRO A 24 -3.467 -15.011 -2.672 1.00 54.33 H new ATOM 0 HG2 PRO A 24 -2.304 -12.438 -1.622 1.00 72.15 H new ATOM 0 HG3 PRO A 24 -3.051 -13.751 -0.733 1.00 72.15 H new ATOM 0 HD2 PRO A 24 -0.345 -13.487 -0.883 1.00 4.55 H new ATOM 0 HD3 PRO A 24 -1.106 -15.062 -0.770 1.00 4.55 H new ATOM 385 N ASP A 25 -2.280 -13.012 -5.696 1.00 54.20 N ATOM 386 CA ASP A 25 -2.173 -11.913 -6.648 1.00 41.25 C ATOM 387 C ASP A 25 -3.029 -10.728 -6.210 1.00 61.55 C ATOM 388 O ASP A 25 -3.642 -10.753 -5.143 1.00 4.00 O ATOM 389 CB ASP A 25 -2.596 -12.375 -8.044 1.00 20.55 C ATOM 390 CG ASP A 25 -3.888 -13.168 -8.024 1.00 13.15 C ATOM 391 OD1 ASP A 25 -4.904 -12.634 -7.531 1.00 43.42 O ATOM 392 OD2 ASP A 25 -3.884 -14.323 -8.499 1.00 40.34 O ATOM 0 H ASP A 25 -3.012 -13.688 -5.913 1.00 54.20 H new ATOM 0 HA ASP A 25 -1.131 -11.594 -6.680 1.00 41.25 H new ATOM 0 HB2 ASP A 25 -2.717 -11.506 -8.690 1.00 20.55 H new ATOM 0 HB3 ASP A 25 -1.804 -12.987 -8.477 1.00 20.55 H new ATOM 397 N VAL A 26 -3.066 -9.692 -7.042 1.00 5.34 N ATOM 398 CA VAL A 26 -3.846 -8.498 -6.740 1.00 52.35 C ATOM 399 C VAL A 26 -4.664 -8.056 -7.949 1.00 64.23 C ATOM 400 O VAL A 26 -4.277 -8.293 -9.094 1.00 30.41 O ATOM 401 CB VAL A 26 -2.942 -7.334 -6.293 1.00 42.24 C ATOM 402 CG1 VAL A 26 -2.566 -6.463 -7.482 1.00 44.51 C ATOM 403 CG2 VAL A 26 -3.628 -6.510 -5.214 1.00 74.33 C ATOM 0 H VAL A 26 -2.565 -9.656 -7.930 1.00 5.34 H new ATOM 0 HA VAL A 26 -4.520 -8.759 -5.924 1.00 52.35 H new ATOM 0 HB VAL A 26 -2.026 -7.749 -5.873 1.00 42.24 H new ATOM 0 HG11 VAL A 26 -1.927 -5.646 -7.147 1.00 44.51 H new ATOM 0 HG12 VAL A 26 -2.031 -7.063 -8.218 1.00 44.51 H new ATOM 0 HG13 VAL A 26 -3.470 -6.055 -7.934 1.00 44.51 H new ATOM 0 HG21 VAL A 26 -2.975 -5.692 -4.910 1.00 74.33 H new ATOM 0 HG22 VAL A 26 -4.561 -6.103 -5.605 1.00 74.33 H new ATOM 0 HG23 VAL A 26 -3.841 -7.143 -4.353 1.00 74.33 H new ATOM 413 N PHE A 27 -5.796 -7.412 -7.687 1.00 70.05 N ATOM 414 CA PHE A 27 -6.670 -6.937 -8.754 1.00 45.02 C ATOM 415 C PHE A 27 -6.269 -5.534 -9.201 1.00 11.12 C ATOM 416 O PHE A 27 -6.354 -4.577 -8.431 1.00 34.11 O ATOM 417 CB PHE A 27 -8.127 -6.940 -8.288 1.00 41.50 C ATOM 418 CG PHE A 27 -9.117 -6.900 -9.417 1.00 13.25 C ATOM 419 CD1 PHE A 27 -9.268 -7.987 -10.262 1.00 35.44 C ATOM 420 CD2 PHE A 27 -9.897 -5.775 -9.632 1.00 35.31 C ATOM 421 CE1 PHE A 27 -10.179 -7.953 -11.301 1.00 65.12 C ATOM 422 CE2 PHE A 27 -10.810 -5.735 -10.670 1.00 24.33 C ATOM 423 CZ PHE A 27 -10.951 -6.826 -11.505 1.00 21.22 C ATOM 0 H PHE A 27 -6.130 -7.207 -6.745 1.00 70.05 H new ATOM 0 HA PHE A 27 -6.567 -7.613 -9.603 1.00 45.02 H new ATOM 0 HB2 PHE A 27 -8.307 -7.833 -7.689 1.00 41.50 H new ATOM 0 HB3 PHE A 27 -8.294 -6.081 -7.638 1.00 41.50 H new ATOM 0 HD1 PHE A 27 -8.667 -8.871 -10.107 1.00 35.44 H new ATOM 0 HD2 PHE A 27 -9.791 -4.920 -8.981 1.00 35.31 H new ATOM 0 HE1 PHE A 27 -10.287 -8.807 -11.953 1.00 65.12 H new ATOM 0 HE2 PHE A 27 -11.412 -4.852 -10.827 1.00 24.33 H new ATOM 0 HZ PHE A 27 -11.664 -6.798 -12.316 1.00 21.22 H new ATOM 433 N VAL A 28 -5.831 -5.420 -10.451 1.00 10.34 N ATOM 434 CA VAL A 28 -5.417 -4.135 -11.001 1.00 55.43 C ATOM 435 C VAL A 28 -6.204 -3.799 -12.263 1.00 53.42 C ATOM 436 O VAL A 28 -6.549 -4.684 -13.047 1.00 45.43 O ATOM 437 CB VAL A 28 -3.913 -4.123 -11.329 1.00 44.34 C ATOM 438 CG1 VAL A 28 -3.191 -5.222 -10.566 1.00 23.34 C ATOM 439 CG2 VAL A 28 -3.693 -4.270 -12.827 1.00 72.34 C ATOM 0 H VAL A 28 -5.754 -6.202 -11.101 1.00 10.34 H new ATOM 0 HA VAL A 28 -5.620 -3.384 -10.238 1.00 55.43 H new ATOM 0 HB VAL A 28 -3.499 -3.164 -11.016 1.00 44.34 H new ATOM 0 HG11 VAL A 28 -2.129 -5.198 -10.811 1.00 23.34 H new ATOM 0 HG12 VAL A 28 -3.320 -5.067 -9.495 1.00 23.34 H new ATOM 0 HG13 VAL A 28 -3.605 -6.191 -10.844 1.00 23.34 H new ATOM 0 HG21 VAL A 28 -2.624 -4.259 -13.041 1.00 72.34 H new ATOM 0 HG22 VAL A 28 -4.122 -5.213 -13.167 1.00 72.34 H new ATOM 0 HG23 VAL A 28 -4.175 -3.443 -13.348 1.00 72.34 H new ATOM 449 N HIS A 29 -6.486 -2.514 -12.454 1.00 2.41 N ATOM 450 CA HIS A 29 -7.232 -2.060 -13.622 1.00 42.42 C ATOM 451 C HIS A 29 -6.764 -0.675 -14.061 1.00 63.55 C ATOM 452 O HIS A 29 -6.103 0.036 -13.305 1.00 44.52 O ATOM 453 CB HIS A 29 -8.730 -2.031 -13.318 1.00 22.32 C ATOM 454 CG HIS A 29 -9.459 -3.254 -13.783 1.00 23.44 C ATOM 455 ND1 HIS A 29 -10.347 -3.246 -14.837 1.00 14.32 N ATOM 456 CD2 HIS A 29 -9.425 -4.530 -13.331 1.00 71.13 C ATOM 457 CE1 HIS A 29 -10.830 -4.463 -15.013 1.00 14.33 C ATOM 458 NE2 HIS A 29 -10.286 -5.261 -14.112 1.00 73.11 N ATOM 0 H HIS A 29 -6.209 -1.769 -11.815 1.00 2.41 H new ATOM 0 HA HIS A 29 -7.047 -2.762 -14.435 1.00 42.42 H new ATOM 0 HB2 HIS A 29 -8.872 -1.920 -12.243 1.00 22.32 H new ATOM 0 HB3 HIS A 29 -9.171 -1.153 -13.790 1.00 22.32 H new ATOM 0 HD2 HIS A 29 -8.831 -4.903 -12.510 1.00 71.13 H new ATOM 0 HE1 HIS A 29 -11.547 -4.756 -15.765 1.00 14.33 H new ATOM 0 HE2 HIS A 29 -10.475 -6.258 -14.012 1.00 73.11 H new ATOM 466 N PHE A 30 -7.110 -0.301 -15.288 1.00 53.34 N ATOM 467 CA PHE A 30 -6.724 0.997 -15.829 1.00 51.41 C ATOM 468 C PHE A 30 -7.264 2.130 -14.961 1.00 52.44 C ATOM 469 O PHE A 30 -6.777 3.260 -15.020 1.00 11.00 O ATOM 470 CB PHE A 30 -7.236 1.149 -17.263 1.00 13.31 C ATOM 471 CG PHE A 30 -6.143 1.159 -18.292 1.00 64.23 C ATOM 472 CD1 PHE A 30 -5.487 -0.012 -18.636 1.00 63.32 C ATOM 473 CD2 PHE A 30 -5.771 2.339 -18.916 1.00 63.44 C ATOM 474 CE1 PHE A 30 -4.479 -0.006 -19.582 1.00 74.05 C ATOM 475 CE2 PHE A 30 -4.764 2.351 -19.864 1.00 34.11 C ATOM 476 CZ PHE A 30 -4.119 1.177 -20.198 1.00 23.30 C ATOM 0 H PHE A 30 -7.657 -0.878 -15.927 1.00 53.34 H new ATOM 0 HA PHE A 30 -5.635 1.052 -15.832 1.00 51.41 H new ATOM 0 HB2 PHE A 30 -7.924 0.332 -17.483 1.00 13.31 H new ATOM 0 HB3 PHE A 30 -7.806 2.075 -17.341 1.00 13.31 H new ATOM 0 HD1 PHE A 30 -5.766 -0.940 -18.160 1.00 63.32 H new ATOM 0 HD2 PHE A 30 -6.273 3.260 -18.659 1.00 63.44 H new ATOM 0 HE1 PHE A 30 -3.974 -0.925 -19.839 1.00 74.05 H new ATOM 0 HE2 PHE A 30 -4.483 3.278 -20.342 1.00 34.11 H new ATOM 0 HZ PHE A 30 -3.334 1.183 -20.940 1.00 23.30 H new ATOM 486 N THR A 31 -8.275 1.820 -14.156 1.00 14.52 N ATOM 487 CA THR A 31 -8.884 2.811 -13.277 1.00 41.20 C ATOM 488 C THR A 31 -8.118 2.926 -11.964 1.00 44.23 C ATOM 489 O THR A 31 -8.529 3.648 -11.056 1.00 24.30 O ATOM 490 CB THR A 31 -10.353 2.465 -12.972 1.00 34.51 C ATOM 491 OG1 THR A 31 -10.489 1.056 -12.752 1.00 1.11 O ATOM 492 CG2 THR A 31 -11.259 2.894 -14.116 1.00 74.20 C ATOM 0 H THR A 31 -8.690 0.890 -14.094 1.00 14.52 H new ATOM 0 HA THR A 31 -8.845 3.765 -13.802 1.00 41.20 H new ATOM 0 HB THR A 31 -10.651 3.004 -12.072 1.00 34.51 H new ATOM 0 HG1 THR A 31 -11.426 0.844 -12.557 1.00 1.11 H new ATOM 0 HG21 THR A 31 -12.292 2.639 -13.878 1.00 74.20 H new ATOM 0 HG22 THR A 31 -11.175 3.971 -14.262 1.00 74.20 H new ATOM 0 HG23 THR A 31 -10.960 2.380 -15.029 1.00 74.20 H new ATOM 500 N ALA A 32 -7.001 2.211 -11.871 1.00 74.14 N ATOM 501 CA ALA A 32 -6.176 2.235 -10.670 1.00 52.31 C ATOM 502 C ALA A 32 -4.729 2.581 -11.005 1.00 33.10 C ATOM 503 O ALA A 32 -4.040 3.234 -10.221 1.00 10.10 O ATOM 504 CB ALA A 32 -6.248 0.895 -9.953 1.00 14.41 C ATOM 0 H ALA A 32 -6.647 1.608 -12.614 1.00 74.14 H new ATOM 0 HA ALA A 32 -6.564 3.010 -10.008 1.00 52.31 H new ATOM 0 HB1 ALA A 32 -5.627 0.927 -9.058 1.00 14.41 H new ATOM 0 HB2 ALA A 32 -7.280 0.688 -9.671 1.00 14.41 H new ATOM 0 HB3 ALA A 32 -5.888 0.108 -10.616 1.00 14.41 H new ATOM 510 N ILE A 33 -4.275 2.138 -12.173 1.00 12.34 N ATOM 511 CA ILE A 33 -2.910 2.402 -12.610 1.00 70.33 C ATOM 512 C ILE A 33 -2.573 3.884 -12.496 1.00 44.54 C ATOM 513 O ILE A 33 -3.325 4.739 -12.963 1.00 44.31 O ATOM 514 CB ILE A 33 -2.687 1.946 -14.065 1.00 13.34 C ATOM 515 CG1 ILE A 33 -2.878 0.433 -14.183 1.00 22.21 C ATOM 516 CG2 ILE A 33 -1.299 2.350 -14.539 1.00 73.32 C ATOM 517 CD1 ILE A 33 -3.338 -0.013 -15.553 1.00 52.01 C ATOM 0 H ILE A 33 -4.832 1.595 -12.833 1.00 12.34 H new ATOM 0 HA ILE A 33 -2.253 1.831 -11.954 1.00 70.33 H new ATOM 0 HB ILE A 33 -3.424 2.436 -14.702 1.00 13.34 H new ATOM 0 HG12 ILE A 33 -1.937 -0.063 -13.945 1.00 22.21 H new ATOM 0 HG13 ILE A 33 -3.607 0.108 -13.440 1.00 22.21 H new ATOM 0 HG21 ILE A 33 -1.156 2.021 -15.568 1.00 73.32 H new ATOM 0 HG22 ILE A 33 -1.198 3.434 -14.487 1.00 73.32 H new ATOM 0 HG23 ILE A 33 -0.547 1.885 -13.902 1.00 73.32 H new ATOM 0 HD11 ILE A 33 -3.452 -1.097 -15.563 1.00 52.01 H new ATOM 0 HD12 ILE A 33 -4.294 0.455 -15.786 1.00 52.01 H new ATOM 0 HD13 ILE A 33 -2.599 0.281 -16.298 1.00 52.01 H new ATOM 529 N GLU A 34 -1.436 4.181 -11.874 1.00 41.12 N ATOM 530 CA GLU A 34 -0.999 5.561 -11.700 1.00 43.33 C ATOM 531 C GLU A 34 0.108 5.910 -12.691 1.00 43.30 C ATOM 532 O GLU A 34 1.292 5.750 -12.397 1.00 23.42 O ATOM 533 CB GLU A 34 -0.507 5.787 -10.269 1.00 52.50 C ATOM 534 CG GLU A 34 -1.604 6.220 -9.310 1.00 45.22 C ATOM 535 CD GLU A 34 -2.149 7.598 -9.631 1.00 4.41 C ATOM 536 OE1 GLU A 34 -1.418 8.589 -9.422 1.00 50.31 O ATOM 537 OE2 GLU A 34 -3.306 7.685 -10.091 1.00 54.41 O ATOM 0 H GLU A 34 -0.802 3.485 -11.483 1.00 41.12 H new ATOM 0 HA GLU A 34 -1.852 6.212 -11.890 1.00 43.33 H new ATOM 0 HB2 GLU A 34 -0.055 4.867 -9.899 1.00 52.50 H new ATOM 0 HB3 GLU A 34 0.276 6.545 -10.278 1.00 52.50 H new ATOM 0 HG2 GLU A 34 -2.417 5.495 -9.343 1.00 45.22 H new ATOM 0 HG3 GLU A 34 -1.214 6.216 -8.292 1.00 45.22 H new ATOM 544 N ALA A 35 -0.287 6.388 -13.866 1.00 41.15 N ATOM 545 CA ALA A 35 0.671 6.761 -14.900 1.00 55.23 C ATOM 546 C ALA A 35 0.333 8.124 -15.495 1.00 50.20 C ATOM 547 O ALA A 35 -0.695 8.717 -15.168 1.00 53.23 O ATOM 548 CB ALA A 35 0.708 5.702 -15.992 1.00 24.33 C ATOM 0 H ALA A 35 -1.264 6.526 -14.126 1.00 41.15 H new ATOM 0 HA ALA A 35 1.657 6.828 -14.440 1.00 55.23 H new ATOM 0 HB1 ALA A 35 1.427 5.993 -16.757 1.00 24.33 H new ATOM 0 HB2 ALA A 35 1.004 4.745 -15.561 1.00 24.33 H new ATOM 0 HB3 ALA A 35 -0.281 5.607 -16.441 1.00 24.33 H new ATOM 554 N ASP A 36 1.205 8.616 -16.369 1.00 31.55 N ATOM 555 CA ASP A 36 0.999 9.909 -17.009 1.00 52.23 C ATOM 556 C ASP A 36 0.832 9.748 -18.517 1.00 42.41 C ATOM 557 O ASP A 36 1.750 10.030 -19.287 1.00 15.52 O ATOM 558 CB ASP A 36 2.172 10.843 -16.710 1.00 45.21 C ATOM 559 CG ASP A 36 1.903 11.751 -15.526 1.00 72.20 C ATOM 560 OD1 ASP A 36 1.193 12.763 -15.703 1.00 74.14 O ATOM 561 OD2 ASP A 36 2.401 11.449 -14.422 1.00 23.41 O ATOM 0 H ASP A 36 2.061 8.138 -16.650 1.00 31.55 H new ATOM 0 HA ASP A 36 0.086 10.345 -16.605 1.00 52.23 H new ATOM 0 HB2 ASP A 36 3.064 10.249 -16.513 1.00 45.21 H new ATOM 0 HB3 ASP A 36 2.382 11.451 -17.590 1.00 45.21 H new ATOM 566 N GLY A 37 -0.346 9.292 -18.932 1.00 64.41 N ATOM 567 CA GLY A 37 -0.611 9.100 -20.346 1.00 25.20 C ATOM 568 C GLY A 37 -0.997 7.672 -20.675 1.00 33.52 C ATOM 569 O GLY A 37 -1.506 6.946 -19.820 1.00 55.12 O ATOM 0 H GLY A 37 -1.121 9.052 -18.314 1.00 64.41 H new ATOM 0 HA2 GLY A 37 -1.412 9.770 -20.657 1.00 25.20 H new ATOM 0 HA3 GLY A 37 0.275 9.375 -20.919 1.00 25.20 H new ATOM 573 N PHE A 38 -0.757 7.266 -21.917 1.00 40.34 N ATOM 574 CA PHE A 38 -1.086 5.916 -22.358 1.00 71.22 C ATOM 575 C PHE A 38 0.115 4.987 -22.210 1.00 5.14 C ATOM 576 O PHE A 38 1.143 5.175 -22.861 1.00 2.44 O ATOM 577 CB PHE A 38 -1.555 5.932 -23.814 1.00 74.05 C ATOM 578 CG PHE A 38 -2.987 6.355 -23.978 1.00 52.12 C ATOM 579 CD1 PHE A 38 -4.020 5.487 -23.665 1.00 33.33 C ATOM 580 CD2 PHE A 38 -3.300 7.621 -24.446 1.00 50.23 C ATOM 581 CE1 PHE A 38 -5.339 5.873 -23.814 1.00 30.02 C ATOM 582 CE2 PHE A 38 -4.617 8.013 -24.597 1.00 43.20 C ATOM 583 CZ PHE A 38 -5.637 7.138 -24.282 1.00 35.33 C ATOM 0 H PHE A 38 -0.335 7.853 -22.637 1.00 40.34 H new ATOM 0 HA PHE A 38 -1.893 5.542 -21.727 1.00 71.22 H new ATOM 0 HB2 PHE A 38 -0.917 6.607 -24.385 1.00 74.05 H new ATOM 0 HB3 PHE A 38 -1.428 4.937 -24.239 1.00 74.05 H new ATOM 0 HD1 PHE A 38 -3.792 4.496 -23.300 1.00 33.33 H new ATOM 0 HD2 PHE A 38 -2.506 8.309 -24.696 1.00 50.23 H new ATOM 0 HE1 PHE A 38 -6.135 5.187 -23.565 1.00 30.02 H new ATOM 0 HE2 PHE A 38 -4.848 9.003 -24.961 1.00 43.20 H new ATOM 0 HZ PHE A 38 -6.666 7.442 -24.401 1.00 35.33 H new ATOM 593 N ARG A 39 -0.022 3.985 -21.348 1.00 20.22 N ATOM 594 CA ARG A 39 1.052 3.028 -21.112 1.00 20.45 C ATOM 595 C ARG A 39 0.495 1.697 -20.614 1.00 52.01 C ATOM 596 O ARG A 39 -0.684 1.593 -20.273 1.00 1.23 O ATOM 597 CB ARG A 39 2.048 3.587 -20.095 1.00 5.53 C ATOM 598 CG ARG A 39 3.493 3.218 -20.390 1.00 72.23 C ATOM 599 CD ARG A 39 4.462 4.172 -19.711 1.00 44.30 C ATOM 600 NE ARG A 39 4.829 5.289 -20.578 1.00 61.21 N ATOM 601 CZ ARG A 39 5.572 5.157 -21.671 1.00 45.11 C ATOM 602 NH1 ARG A 39 6.025 3.963 -22.029 1.00 4.51 N ATOM 603 NH2 ARG A 39 5.864 6.221 -22.409 1.00 32.21 N ATOM 0 H ARG A 39 -0.866 3.815 -20.801 1.00 20.22 H new ATOM 0 HA ARG A 39 1.566 2.857 -22.058 1.00 20.45 H new ATOM 0 HB2 ARG A 39 1.957 4.673 -20.070 1.00 5.53 H new ATOM 0 HB3 ARG A 39 1.784 3.222 -19.102 1.00 5.53 H new ATOM 0 HG2 ARG A 39 3.686 2.200 -20.051 1.00 72.23 H new ATOM 0 HG3 ARG A 39 3.661 3.233 -21.467 1.00 72.23 H new ATOM 0 HD2 ARG A 39 4.011 4.556 -18.796 1.00 44.30 H new ATOM 0 HD3 ARG A 39 5.361 3.629 -19.419 1.00 44.30 H new ATOM 0 HE ARG A 39 4.497 6.221 -20.331 1.00 61.21 H new ATOM 0 HH11 ARG A 39 5.803 3.143 -21.464 1.00 4.51 H new ATOM 0 HH12 ARG A 39 6.595 3.865 -22.869 1.00 4.51 H new ATOM 0 HH21 ARG A 39 5.518 7.141 -22.137 1.00 32.21 H new ATOM 0 HH22 ARG A 39 6.435 6.119 -23.248 1.00 32.21 H new ATOM 617 N THR A 40 1.350 0.680 -20.576 1.00 42.02 N ATOM 618 CA THR A 40 0.944 -0.644 -20.123 1.00 32.04 C ATOM 619 C THR A 40 2.106 -1.381 -19.467 1.00 70.54 C ATOM 620 O THR A 40 3.236 -0.891 -19.451 1.00 71.23 O ATOM 621 CB THR A 40 0.402 -1.495 -21.287 1.00 12.23 C ATOM 622 OG1 THR A 40 1.446 -1.756 -22.231 1.00 5.23 O ATOM 623 CG2 THR A 40 -0.752 -0.788 -21.982 1.00 41.01 C ATOM 0 H THR A 40 2.329 0.748 -20.854 1.00 42.02 H new ATOM 0 HA THR A 40 0.150 -0.497 -19.390 1.00 32.04 H new ATOM 0 HB THR A 40 0.038 -2.438 -20.880 1.00 12.23 H new ATOM 0 HG1 THR A 40 1.093 -2.299 -22.967 1.00 5.23 H new ATOM 0 HG21 THR A 40 -1.118 -1.408 -22.800 1.00 41.01 H new ATOM 0 HG22 THR A 40 -1.557 -0.617 -21.268 1.00 41.01 H new ATOM 0 HG23 THR A 40 -0.408 0.168 -22.377 1.00 41.01 H new ATOM 631 N LEU A 41 1.823 -2.562 -18.928 1.00 74.02 N ATOM 632 CA LEU A 41 2.846 -3.369 -18.272 1.00 14.44 C ATOM 633 C LEU A 41 3.188 -4.598 -19.106 1.00 64.34 C ATOM 634 O LEU A 41 2.496 -4.918 -20.072 1.00 44.51 O ATOM 635 CB LEU A 41 2.371 -3.797 -16.882 1.00 72.41 C ATOM 636 CG LEU A 41 2.126 -2.670 -15.879 1.00 12.21 C ATOM 637 CD1 LEU A 41 3.275 -1.674 -15.904 1.00 21.23 C ATOM 638 CD2 LEU A 41 0.806 -1.971 -16.173 1.00 63.43 C ATOM 0 H LEU A 41 0.893 -2.982 -18.932 1.00 74.02 H new ATOM 0 HA LEU A 41 3.745 -2.761 -18.171 1.00 14.44 H new ATOM 0 HB2 LEU A 41 1.446 -4.363 -16.995 1.00 72.41 H new ATOM 0 HB3 LEU A 41 3.112 -4.477 -16.460 1.00 72.41 H new ATOM 0 HG LEU A 41 2.070 -3.104 -14.881 1.00 12.21 H new ATOM 0 HD11 LEU A 41 3.083 -0.879 -15.184 1.00 21.23 H new ATOM 0 HD12 LEU A 41 4.203 -2.183 -15.644 1.00 21.23 H new ATOM 0 HD13 LEU A 41 3.363 -1.245 -16.902 1.00 21.23 H new ATOM 0 HD21 LEU A 41 0.648 -1.172 -15.449 1.00 63.43 H new ATOM 0 HD22 LEU A 41 0.833 -1.550 -17.178 1.00 63.43 H new ATOM 0 HD23 LEU A 41 -0.010 -2.690 -16.103 1.00 63.43 H new ATOM 650 N ASN A 42 4.260 -5.286 -18.725 1.00 42.24 N ATOM 651 CA ASN A 42 4.694 -6.482 -19.438 1.00 31.10 C ATOM 652 C ASN A 42 4.906 -7.644 -18.472 1.00 1.20 C ATOM 653 O ASN A 42 5.567 -7.496 -17.445 1.00 24.31 O ATOM 654 CB ASN A 42 5.986 -6.202 -20.208 1.00 1.11 C ATOM 655 CG ASN A 42 5.902 -4.935 -21.037 1.00 2.55 C ATOM 656 OD1 ASN A 42 5.120 -4.849 -21.984 1.00 22.54 O ATOM 657 ND2 ASN A 42 6.710 -3.942 -20.683 1.00 2.14 N ATOM 0 H ASN A 42 4.844 -5.036 -17.927 1.00 42.24 H new ATOM 0 HA ASN A 42 3.911 -6.758 -20.144 1.00 31.10 H new ATOM 0 HB2 ASN A 42 6.814 -6.118 -19.504 1.00 1.11 H new ATOM 0 HB3 ASN A 42 6.207 -7.046 -20.861 1.00 1.11 H new ATOM 0 HD21 ASN A 42 6.698 -3.065 -21.203 1.00 2.14 H new ATOM 0 HD22 ASN A 42 7.342 -4.057 -19.891 1.00 2.14 H new ATOM 664 N GLU A 43 4.340 -8.798 -18.810 1.00 65.31 N ATOM 665 CA GLU A 43 4.468 -9.985 -17.972 1.00 51.12 C ATOM 666 C GLU A 43 5.931 -10.258 -17.634 1.00 12.50 C ATOM 667 O GLU A 43 6.790 -10.273 -18.514 1.00 62.10 O ATOM 668 CB GLU A 43 3.860 -11.201 -18.675 1.00 45.43 C ATOM 669 CG GLU A 43 3.961 -12.484 -17.868 1.00 11.22 C ATOM 670 CD GLU A 43 3.781 -13.725 -18.720 1.00 55.01 C ATOM 671 OE1 GLU A 43 4.165 -13.689 -19.908 1.00 23.42 O ATOM 672 OE2 GLU A 43 3.255 -14.731 -18.200 1.00 72.22 O ATOM 0 H GLU A 43 3.789 -8.937 -19.657 1.00 65.31 H new ATOM 0 HA GLU A 43 3.927 -9.803 -17.044 1.00 51.12 H new ATOM 0 HB2 GLU A 43 2.811 -10.999 -18.890 1.00 45.43 H new ATOM 0 HB3 GLU A 43 4.360 -11.344 -19.633 1.00 45.43 H new ATOM 0 HG2 GLU A 43 4.933 -12.524 -17.376 1.00 11.22 H new ATOM 0 HG3 GLU A 43 3.206 -12.475 -17.082 1.00 11.22 H new ATOM 679 N GLY A 44 6.206 -10.472 -16.351 1.00 14.43 N ATOM 680 CA GLY A 44 7.565 -10.740 -15.918 1.00 15.12 C ATOM 681 C GLY A 44 8.240 -9.514 -15.335 1.00 60.41 C ATOM 682 O GLY A 44 9.266 -9.624 -14.665 1.00 1.11 O ATOM 0 H GLY A 44 5.512 -10.465 -15.604 1.00 14.43 H new ATOM 0 HA2 GLY A 44 7.555 -11.535 -15.172 1.00 15.12 H new ATOM 0 HA3 GLY A 44 8.148 -11.104 -16.764 1.00 15.12 H new ATOM 686 N GLU A 45 7.664 -8.344 -15.592 1.00 71.34 N ATOM 687 CA GLU A 45 8.219 -7.093 -15.090 1.00 65.20 C ATOM 688 C GLU A 45 7.688 -6.784 -13.694 1.00 13.34 C ATOM 689 O GLU A 45 6.647 -7.300 -13.285 1.00 11.11 O ATOM 690 CB GLU A 45 7.885 -5.943 -16.042 1.00 3.54 C ATOM 691 CG GLU A 45 8.621 -4.653 -15.719 1.00 11.31 C ATOM 692 CD GLU A 45 9.112 -3.935 -16.961 1.00 24.10 C ATOM 693 OE1 GLU A 45 8.325 -3.166 -17.552 1.00 22.23 O ATOM 694 OE2 GLU A 45 10.283 -4.142 -17.342 1.00 62.24 O ATOM 0 H GLU A 45 6.814 -8.237 -16.145 1.00 71.34 H new ATOM 0 HA GLU A 45 9.302 -7.203 -15.031 1.00 65.20 H new ATOM 0 HB2 GLU A 45 8.127 -6.244 -17.061 1.00 3.54 H new ATOM 0 HB3 GLU A 45 6.811 -5.757 -16.011 1.00 3.54 H new ATOM 0 HG2 GLU A 45 7.959 -3.992 -15.159 1.00 11.31 H new ATOM 0 HG3 GLU A 45 9.470 -4.876 -15.073 1.00 11.31 H new ATOM 701 N HIS A 46 8.410 -5.938 -12.966 1.00 0.04 N ATOM 702 CA HIS A 46 8.012 -5.559 -11.615 1.00 33.04 C ATOM 703 C HIS A 46 7.173 -4.284 -11.633 1.00 22.52 C ATOM 704 O HIS A 46 7.446 -3.361 -12.400 1.00 13.23 O ATOM 705 CB HIS A 46 9.245 -5.359 -10.734 1.00 23.44 C ATOM 706 CG HIS A 46 10.456 -6.094 -11.222 1.00 54.24 C ATOM 707 ND1 HIS A 46 10.721 -7.407 -10.897 1.00 63.21 N ATOM 708 CD2 HIS A 46 11.474 -5.692 -12.019 1.00 14.44 C ATOM 709 CE1 HIS A 46 11.851 -7.781 -11.471 1.00 3.54 C ATOM 710 NE2 HIS A 46 12.328 -6.758 -12.157 1.00 53.25 N ATOM 0 H HIS A 46 9.274 -5.502 -13.289 1.00 0.04 H new ATOM 0 HA HIS A 46 7.407 -6.366 -11.202 1.00 33.04 H new ATOM 0 HB2 HIS A 46 9.474 -4.295 -10.680 1.00 23.44 H new ATOM 0 HB3 HIS A 46 9.014 -5.688 -9.721 1.00 23.44 H new ATOM 0 HD2 HIS A 46 11.592 -4.715 -12.463 1.00 14.44 H new ATOM 0 HE1 HIS A 46 12.307 -8.757 -11.393 1.00 3.54 H new ATOM 0 HE2 HIS A 46 13.191 -6.760 -12.701 1.00 53.25 H new ATOM 718 N VAL A 47 6.151 -4.242 -10.784 1.00 5.25 N ATOM 719 CA VAL A 47 5.273 -3.081 -10.702 1.00 3.22 C ATOM 720 C VAL A 47 4.649 -2.960 -9.316 1.00 62.31 C ATOM 721 O VAL A 47 4.281 -3.961 -8.702 1.00 12.11 O ATOM 722 CB VAL A 47 4.151 -3.151 -11.754 1.00 52.11 C ATOM 723 CG1 VAL A 47 4.736 -3.184 -13.158 1.00 32.42 C ATOM 724 CG2 VAL A 47 3.265 -4.363 -11.508 1.00 1.13 C ATOM 0 H VAL A 47 5.911 -4.999 -10.143 1.00 5.25 H new ATOM 0 HA VAL A 47 5.890 -2.204 -10.897 1.00 3.22 H new ATOM 0 HB VAL A 47 3.536 -2.256 -11.664 1.00 52.11 H new ATOM 0 HG11 VAL A 47 3.928 -3.233 -13.888 1.00 32.42 H new ATOM 0 HG12 VAL A 47 5.324 -2.282 -13.328 1.00 32.42 H new ATOM 0 HG13 VAL A 47 5.376 -4.060 -13.265 1.00 32.42 H new ATOM 0 HG21 VAL A 47 2.477 -4.397 -12.261 1.00 1.13 H new ATOM 0 HG22 VAL A 47 3.865 -5.271 -11.570 1.00 1.13 H new ATOM 0 HG23 VAL A 47 2.817 -4.291 -10.517 1.00 1.13 H new ATOM 734 N GLU A 48 4.533 -1.728 -8.830 1.00 63.33 N ATOM 735 CA GLU A 48 3.953 -1.478 -7.516 1.00 45.40 C ATOM 736 C GLU A 48 2.430 -1.449 -7.590 1.00 54.12 C ATOM 737 O GLU A 48 1.852 -1.302 -8.667 1.00 51.34 O ATOM 738 CB GLU A 48 4.472 -0.155 -6.949 1.00 44.51 C ATOM 739 CG GLU A 48 5.954 0.074 -7.196 1.00 1.01 C ATOM 740 CD GLU A 48 6.530 1.168 -6.318 1.00 52.32 C ATOM 741 OE1 GLU A 48 6.508 1.008 -5.080 1.00 33.32 O ATOM 742 OE2 GLU A 48 7.002 2.185 -6.869 1.00 31.31 O ATOM 0 H GLU A 48 4.833 -0.889 -9.326 1.00 63.33 H new ATOM 0 HA GLU A 48 4.252 -2.291 -6.855 1.00 45.40 H new ATOM 0 HB2 GLU A 48 3.908 0.666 -7.391 1.00 44.51 H new ATOM 0 HB3 GLU A 48 4.283 -0.130 -5.876 1.00 44.51 H new ATOM 0 HG2 GLU A 48 6.496 -0.854 -7.016 1.00 1.01 H new ATOM 0 HG3 GLU A 48 6.108 0.335 -8.243 1.00 1.01 H new ATOM 749 N PHE A 49 1.784 -1.591 -6.437 1.00 62.42 N ATOM 750 CA PHE A 49 0.328 -1.584 -6.370 1.00 55.44 C ATOM 751 C PHE A 49 -0.150 -1.440 -4.928 1.00 50.44 C ATOM 752 O PHE A 49 0.310 -2.153 -4.038 1.00 20.23 O ATOM 753 CB PHE A 49 -0.239 -2.867 -6.982 1.00 11.25 C ATOM 754 CG PHE A 49 0.160 -4.111 -6.240 1.00 52.31 C ATOM 755 CD1 PHE A 49 1.360 -4.745 -6.520 1.00 13.15 C ATOM 756 CD2 PHE A 49 -0.665 -4.646 -5.264 1.00 3.55 C ATOM 757 CE1 PHE A 49 1.729 -5.890 -5.839 1.00 75.03 C ATOM 758 CE2 PHE A 49 -0.301 -5.790 -4.580 1.00 21.34 C ATOM 759 CZ PHE A 49 0.898 -6.413 -4.867 1.00 51.33 C ATOM 0 H PHE A 49 2.247 -1.712 -5.536 1.00 62.42 H new ATOM 0 HA PHE A 49 -0.032 -0.728 -6.941 1.00 55.44 H new ATOM 0 HB2 PHE A 49 -1.327 -2.800 -7.004 1.00 11.25 H new ATOM 0 HB3 PHE A 49 0.097 -2.946 -8.016 1.00 11.25 H new ATOM 0 HD1 PHE A 49 2.014 -4.340 -7.278 1.00 13.15 H new ATOM 0 HD2 PHE A 49 -1.604 -4.163 -5.035 1.00 3.55 H new ATOM 0 HE1 PHE A 49 2.666 -6.376 -6.067 1.00 75.03 H new ATOM 0 HE2 PHE A 49 -0.953 -6.197 -3.822 1.00 21.34 H new ATOM 0 HZ PHE A 49 1.185 -7.307 -4.333 1.00 51.33 H new ATOM 769 N GLU A 50 -1.075 -0.511 -4.708 1.00 13.05 N ATOM 770 CA GLU A 50 -1.614 -0.272 -3.374 1.00 31.43 C ATOM 771 C GLU A 50 -2.947 -0.992 -3.189 1.00 0.04 C ATOM 772 O GLU A 50 -3.987 -0.524 -3.651 1.00 74.13 O ATOM 773 CB GLU A 50 -1.794 1.228 -3.133 1.00 72.11 C ATOM 774 CG GLU A 50 -0.514 1.937 -2.724 1.00 61.24 C ATOM 775 CD GLU A 50 -0.741 3.393 -2.369 1.00 54.43 C ATOM 776 OE1 GLU A 50 -1.909 3.771 -2.138 1.00 10.44 O ATOM 777 OE2 GLU A 50 0.247 4.155 -2.323 1.00 61.23 O ATOM 0 H GLU A 50 -1.466 0.088 -5.435 1.00 13.05 H new ATOM 0 HA GLU A 50 -0.904 -0.666 -2.647 1.00 31.43 H new ATOM 0 HB2 GLU A 50 -2.180 1.690 -4.042 1.00 72.11 H new ATOM 0 HB3 GLU A 50 -2.545 1.375 -2.357 1.00 72.11 H new ATOM 0 HG2 GLU A 50 -0.076 1.423 -1.869 1.00 61.24 H new ATOM 0 HG3 GLU A 50 0.208 1.874 -3.538 1.00 61.24 H new ATOM 784 N VAL A 51 -2.907 -2.134 -2.509 1.00 11.42 N ATOM 785 CA VAL A 51 -4.111 -2.919 -2.261 1.00 44.44 C ATOM 786 C VAL A 51 -5.101 -2.147 -1.397 1.00 34.53 C ATOM 787 O VAL A 51 -4.775 -1.727 -0.287 1.00 73.12 O ATOM 788 CB VAL A 51 -3.777 -4.255 -1.573 1.00 71.50 C ATOM 789 CG1 VAL A 51 -2.862 -5.095 -2.451 1.00 44.32 C ATOM 790 CG2 VAL A 51 -3.145 -4.010 -0.211 1.00 52.12 C ATOM 0 H VAL A 51 -2.054 -2.536 -2.120 1.00 11.42 H new ATOM 0 HA VAL A 51 -4.563 -3.123 -3.232 1.00 44.44 H new ATOM 0 HB VAL A 51 -4.705 -4.808 -1.424 1.00 71.50 H new ATOM 0 HG11 VAL A 51 -2.637 -6.035 -1.948 1.00 44.32 H new ATOM 0 HG12 VAL A 51 -3.357 -5.301 -3.400 1.00 44.32 H new ATOM 0 HG13 VAL A 51 -1.935 -4.552 -2.635 1.00 44.32 H new ATOM 0 HG21 VAL A 51 -2.916 -4.965 0.261 1.00 52.12 H new ATOM 0 HG22 VAL A 51 -2.226 -3.436 -0.334 1.00 52.12 H new ATOM 0 HG23 VAL A 51 -3.840 -3.453 0.417 1.00 52.12 H new ATOM 800 N GLU A 52 -6.313 -1.966 -1.913 1.00 31.22 N ATOM 801 CA GLU A 52 -7.352 -1.245 -1.187 1.00 2.12 C ATOM 802 C GLU A 52 -8.547 -2.150 -0.905 1.00 33.42 C ATOM 803 O GLU A 52 -8.732 -3.191 -1.536 1.00 33.20 O ATOM 804 CB GLU A 52 -7.803 -0.019 -1.983 1.00 15.43 C ATOM 805 CG GLU A 52 -7.346 1.300 -1.381 1.00 72.32 C ATOM 806 CD GLU A 52 -5.862 1.544 -1.572 1.00 22.04 C ATOM 807 OE1 GLU A 52 -5.087 0.566 -1.506 1.00 52.45 O ATOM 808 OE2 GLU A 52 -5.475 2.712 -1.785 1.00 63.32 O ATOM 0 H GLU A 52 -6.599 -2.308 -2.830 1.00 31.22 H new ATOM 0 HA GLU A 52 -6.934 -0.918 -0.235 1.00 2.12 H new ATOM 0 HB2 GLU A 52 -7.420 -0.096 -3.001 1.00 15.43 H new ATOM 0 HB3 GLU A 52 -8.891 -0.020 -2.051 1.00 15.43 H new ATOM 0 HG2 GLU A 52 -7.906 2.117 -1.836 1.00 72.32 H new ATOM 0 HG3 GLU A 52 -7.578 1.309 -0.316 1.00 72.32 H new ATOM 815 N PRO A 53 -9.379 -1.746 0.067 1.00 62.31 N ATOM 816 CA PRO A 53 -10.571 -2.506 0.456 1.00 63.15 C ATOM 817 C PRO A 53 -11.653 -2.476 -0.618 1.00 52.41 C ATOM 818 O PRO A 53 -11.692 -3.334 -1.499 1.00 12.15 O ATOM 819 CB PRO A 53 -11.051 -1.790 1.720 1.00 54.40 C ATOM 820 CG PRO A 53 -10.530 -0.400 1.590 1.00 60.25 C ATOM 821 CD PRO A 53 -9.220 -0.516 0.861 1.00 62.32 C ATOM 0 HA PRO A 53 -10.350 -3.563 0.607 1.00 63.15 H new ATOM 0 HB2 PRO A 53 -12.139 -1.800 1.792 1.00 54.40 H new ATOM 0 HB3 PRO A 53 -10.668 -2.274 2.619 1.00 54.40 H new ATOM 0 HG2 PRO A 53 -11.229 0.229 1.039 1.00 60.25 H new ATOM 0 HG3 PRO A 53 -10.393 0.059 2.569 1.00 60.25 H new ATOM 0 HD2 PRO A 53 -9.035 0.351 0.226 1.00 62.32 H new ATOM 0 HD3 PRO A 53 -8.381 -0.590 1.552 1.00 62.32 H new ATOM 829 N GLY A 54 -12.531 -1.480 -0.539 1.00 32.11 N ATOM 830 CA GLY A 54 -13.602 -1.357 -1.510 1.00 52.34 C ATOM 831 C GLY A 54 -13.122 -0.797 -2.835 1.00 10.44 C ATOM 832 O GLY A 54 -13.570 0.266 -3.266 1.00 74.30 O ATOM 0 H GLY A 54 -12.519 -0.757 0.180 1.00 32.11 H new ATOM 0 HA2 GLY A 54 -14.053 -2.336 -1.675 1.00 52.34 H new ATOM 0 HA3 GLY A 54 -14.381 -0.710 -1.107 1.00 52.34 H new ATOM 836 N ARG A 55 -12.206 -1.511 -3.480 1.00 74.35 N ATOM 837 CA ARG A 55 -11.663 -1.078 -4.762 1.00 1.41 C ATOM 838 C ARG A 55 -11.694 -2.215 -5.779 1.00 32.04 C ATOM 839 O ARG A 55 -12.022 -2.009 -6.946 1.00 43.43 O ATOM 840 CB ARG A 55 -10.229 -0.574 -4.588 1.00 22.43 C ATOM 841 CG ARG A 55 -10.140 0.898 -4.222 1.00 13.22 C ATOM 842 CD ARG A 55 -10.477 1.788 -5.408 1.00 12.20 C ATOM 843 NE ARG A 55 -11.273 2.947 -5.014 1.00 15.31 N ATOM 844 CZ ARG A 55 -11.968 3.687 -5.871 1.00 13.23 C ATOM 845 NH1 ARG A 55 -11.965 3.390 -7.163 1.00 31.02 N ATOM 846 NH2 ARG A 55 -12.669 4.727 -5.435 1.00 63.35 N ATOM 0 H ARG A 55 -11.824 -2.392 -3.136 1.00 74.35 H new ATOM 0 HA ARG A 55 -12.285 -0.264 -5.135 1.00 1.41 H new ATOM 0 HB2 ARG A 55 -9.738 -1.162 -3.813 1.00 22.43 H new ATOM 0 HB3 ARG A 55 -9.679 -0.743 -5.514 1.00 22.43 H new ATOM 0 HG2 ARG A 55 -10.823 1.112 -3.400 1.00 13.22 H new ATOM 0 HG3 ARG A 55 -9.134 1.126 -3.869 1.00 13.22 H new ATOM 0 HD2 ARG A 55 -9.555 2.126 -5.881 1.00 12.20 H new ATOM 0 HD3 ARG A 55 -11.024 1.209 -6.152 1.00 12.20 H new ATOM 0 HE ARG A 55 -11.297 3.202 -4.027 1.00 15.31 H new ATOM 0 HH11 ARG A 55 -11.428 2.591 -7.501 1.00 31.02 H new ATOM 0 HH12 ARG A 55 -12.500 3.960 -7.819 1.00 31.02 H new ATOM 0 HH21 ARG A 55 -12.674 4.958 -4.442 1.00 63.35 H new ATOM 0 HH22 ARG A 55 -13.202 5.295 -6.094 1.00 63.35 H new ATOM 860 N GLY A 56 -11.350 -3.417 -5.325 1.00 53.15 N ATOM 861 CA GLY A 56 -11.345 -4.569 -6.208 1.00 40.21 C ATOM 862 C GLY A 56 -12.406 -5.586 -5.840 1.00 32.53 C ATOM 863 O GLY A 56 -12.754 -5.735 -4.669 1.00 21.10 O ATOM 0 H GLY A 56 -11.075 -3.613 -4.363 1.00 53.15 H new ATOM 0 HA2 GLY A 56 -11.505 -4.237 -7.234 1.00 40.21 H new ATOM 0 HA3 GLY A 56 -10.364 -5.044 -6.175 1.00 40.21 H new ATOM 867 N GLY A 57 -12.924 -6.289 -6.843 1.00 13.12 N ATOM 868 CA GLY A 57 -13.949 -7.287 -6.598 1.00 25.41 C ATOM 869 C GLY A 57 -13.571 -8.245 -5.485 1.00 43.30 C ATOM 870 O GLY A 57 -14.311 -8.404 -4.514 1.00 51.03 O ATOM 0 H GLY A 57 -12.652 -6.185 -7.821 1.00 13.12 H new ATOM 0 HA2 GLY A 57 -14.884 -6.788 -6.342 1.00 25.41 H new ATOM 0 HA3 GLY A 57 -14.129 -7.851 -7.513 1.00 25.41 H new ATOM 874 N LYS A 58 -12.415 -8.886 -5.625 1.00 54.11 N ATOM 875 CA LYS A 58 -11.939 -9.833 -4.624 1.00 74.53 C ATOM 876 C LYS A 58 -11.567 -9.117 -3.330 1.00 42.14 C ATOM 877 O LYS A 58 -11.370 -9.749 -2.294 1.00 34.44 O ATOM 878 CB LYS A 58 -10.731 -10.606 -5.158 1.00 32.41 C ATOM 879 CG LYS A 58 -11.054 -11.494 -6.348 1.00 1.23 C ATOM 880 CD LYS A 58 -11.465 -12.889 -5.908 1.00 3.14 C ATOM 881 CE LYS A 58 -12.965 -13.097 -6.045 1.00 31.42 C ATOM 882 NZ LYS A 58 -13.393 -13.126 -7.471 1.00 10.22 N ATOM 0 H LYS A 58 -11.791 -8.766 -6.423 1.00 54.11 H new ATOM 0 HA LYS A 58 -12.746 -10.534 -4.410 1.00 74.53 H new ATOM 0 HB2 LYS A 58 -9.954 -9.897 -5.445 1.00 32.41 H new ATOM 0 HB3 LYS A 58 -10.321 -11.221 -4.357 1.00 32.41 H new ATOM 0 HG2 LYS A 58 -11.857 -11.044 -6.931 1.00 1.23 H new ATOM 0 HG3 LYS A 58 -10.184 -11.559 -7.001 1.00 1.23 H new ATOM 0 HD2 LYS A 58 -10.937 -13.631 -6.507 1.00 3.14 H new ATOM 0 HD3 LYS A 58 -11.168 -13.047 -4.871 1.00 3.14 H new ATOM 0 HE2 LYS A 58 -13.248 -14.032 -5.562 1.00 31.42 H new ATOM 0 HE3 LYS A 58 -13.492 -12.297 -5.524 1.00 31.42 H new ATOM 0 HZ1 LYS A 58 -14.311 -13.608 -7.548 1.00 10.22 H new ATOM 0 HZ2 LYS A 58 -13.482 -12.153 -7.827 1.00 10.22 H new ATOM 0 HZ3 LYS A 58 -12.685 -13.637 -8.036 1.00 10.22 H new ATOM 896 N GLY A 59 -11.472 -7.792 -3.398 1.00 74.35 N ATOM 897 CA GLY A 59 -11.125 -7.012 -2.225 1.00 71.12 C ATOM 898 C GLY A 59 -9.910 -6.135 -2.451 1.00 44.02 C ATOM 899 O GLY A 59 -10.021 -4.934 -2.696 1.00 13.52 O ATOM 0 H GLY A 59 -11.629 -7.246 -4.245 1.00 74.35 H new ATOM 0 HA2 GLY A 59 -11.973 -6.387 -1.944 1.00 71.12 H new ATOM 0 HA3 GLY A 59 -10.933 -7.685 -1.389 1.00 71.12 H new ATOM 903 N PRO A 60 -8.715 -6.739 -2.368 1.00 71.41 N ATOM 904 CA PRO A 60 -7.451 -6.024 -2.561 1.00 45.41 C ATOM 905 C PRO A 60 -7.242 -5.595 -4.010 1.00 13.25 C ATOM 906 O PRO A 60 -7.089 -6.433 -4.898 1.00 14.33 O ATOM 907 CB PRO A 60 -6.394 -7.053 -2.151 1.00 12.31 C ATOM 908 CG PRO A 60 -7.046 -8.374 -2.372 1.00 14.30 C ATOM 909 CD PRO A 60 -8.507 -8.168 -2.080 1.00 31.42 C ATOM 0 HA PRO A 60 -7.414 -5.101 -1.983 1.00 45.41 H new ATOM 0 HB2 PRO A 60 -5.490 -6.952 -2.751 1.00 12.31 H new ATOM 0 HB3 PRO A 60 -6.101 -6.926 -1.109 1.00 12.31 H new ATOM 0 HG2 PRO A 60 -6.897 -8.716 -3.396 1.00 14.30 H new ATOM 0 HG3 PRO A 60 -6.620 -9.134 -1.717 1.00 14.30 H new ATOM 0 HD2 PRO A 60 -9.135 -8.800 -2.708 1.00 31.42 H new ATOM 0 HD3 PRO A 60 -8.747 -8.408 -1.044 1.00 31.42 H new ATOM 917 N GLN A 61 -7.237 -4.286 -4.239 1.00 53.25 N ATOM 918 CA GLN A 61 -7.048 -3.747 -5.581 1.00 62.11 C ATOM 919 C GLN A 61 -5.776 -2.908 -5.656 1.00 72.55 C ATOM 920 O GLN A 61 -5.216 -2.520 -4.632 1.00 40.31 O ATOM 921 CB GLN A 61 -8.255 -2.902 -5.989 1.00 55.43 C ATOM 922 CG GLN A 61 -8.696 -3.124 -7.427 1.00 45.33 C ATOM 923 CD GLN A 61 -8.003 -2.190 -8.400 1.00 53.33 C ATOM 924 OE1 GLN A 61 -7.526 -1.121 -8.019 1.00 43.44 O ATOM 925 NE2 GLN A 61 -7.945 -2.589 -9.665 1.00 71.43 N ATOM 0 H GLN A 61 -7.361 -3.580 -3.514 1.00 53.25 H new ATOM 0 HA GLN A 61 -6.950 -4.585 -6.271 1.00 62.11 H new ATOM 0 HB2 GLN A 61 -9.088 -3.128 -5.323 1.00 55.43 H new ATOM 0 HB3 GLN A 61 -8.014 -1.848 -5.850 1.00 55.43 H new ATOM 0 HG2 GLN A 61 -8.491 -4.156 -7.711 1.00 45.33 H new ATOM 0 HG3 GLN A 61 -9.774 -2.982 -7.498 1.00 45.33 H new ATOM 0 HE21 GLN A 61 -8.354 -3.483 -9.937 1.00 71.43 H new ATOM 0 HE22 GLN A 61 -7.492 -2.001 -10.365 1.00 71.43 H new ATOM 934 N ALA A 62 -5.326 -2.634 -6.876 1.00 41.23 N ATOM 935 CA ALA A 62 -4.121 -1.840 -7.085 1.00 53.01 C ATOM 936 C ALA A 62 -4.446 -0.351 -7.127 1.00 2.40 C ATOM 937 O ALA A 62 -4.121 0.340 -8.093 1.00 61.54 O ATOM 938 CB ALA A 62 -3.424 -2.267 -8.368 1.00 51.54 C ATOM 0 H ALA A 62 -5.777 -2.950 -7.734 1.00 41.23 H new ATOM 0 HA ALA A 62 -3.449 -2.015 -6.244 1.00 53.01 H new ATOM 0 HB1 ALA A 62 -2.526 -1.666 -8.512 1.00 51.54 H new ATOM 0 HB2 ALA A 62 -3.149 -3.320 -8.300 1.00 51.54 H new ATOM 0 HB3 ALA A 62 -4.097 -2.122 -9.213 1.00 51.54 H new ATOM 944 N LYS A 63 -5.089 0.140 -6.073 1.00 74.20 N ATOM 945 CA LYS A 63 -5.458 1.548 -5.988 1.00 71.12 C ATOM 946 C LYS A 63 -4.328 2.438 -6.495 1.00 24.13 C ATOM 947 O LYS A 63 -4.567 3.443 -7.165 1.00 21.41 O ATOM 948 CB LYS A 63 -5.806 1.919 -4.545 1.00 10.21 C ATOM 949 CG LYS A 63 -6.993 2.859 -4.428 1.00 13.30 C ATOM 950 CD LYS A 63 -6.782 4.128 -5.237 1.00 70.34 C ATOM 951 CE LYS A 63 -7.440 4.032 -6.606 1.00 22.15 C ATOM 952 NZ LYS A 63 -8.581 4.979 -6.740 1.00 2.30 N ATOM 0 H LYS A 63 -5.366 -0.417 -5.265 1.00 74.20 H new ATOM 0 HA LYS A 63 -6.333 1.707 -6.618 1.00 71.12 H new ATOM 0 HB2 LYS A 63 -6.018 1.008 -3.986 1.00 10.21 H new ATOM 0 HB3 LYS A 63 -4.937 2.384 -4.079 1.00 10.21 H new ATOM 0 HG2 LYS A 63 -7.895 2.353 -4.773 1.00 13.30 H new ATOM 0 HG3 LYS A 63 -7.153 3.116 -3.381 1.00 13.30 H new ATOM 0 HD2 LYS A 63 -7.192 4.979 -4.694 1.00 70.34 H new ATOM 0 HD3 LYS A 63 -5.714 4.311 -5.357 1.00 70.34 H new ATOM 0 HE2 LYS A 63 -6.701 4.242 -7.380 1.00 22.15 H new ATOM 0 HE3 LYS A 63 -7.792 3.013 -6.769 1.00 22.15 H new ATOM 0 HZ1 LYS A 63 -9.002 4.883 -7.686 1.00 2.30 H new ATOM 0 HZ2 LYS A 63 -9.298 4.763 -6.018 1.00 2.30 H new ATOM 0 HZ3 LYS A 63 -8.241 5.953 -6.610 1.00 2.30 H new ATOM 966 N LYS A 64 -3.095 2.062 -6.172 1.00 2.05 N ATOM 967 CA LYS A 64 -1.926 2.824 -6.596 1.00 31.23 C ATOM 968 C LYS A 64 -0.884 1.911 -7.233 1.00 64.11 C ATOM 969 O LYS A 64 -0.039 1.340 -6.543 1.00 44.22 O ATOM 970 CB LYS A 64 -1.313 3.562 -5.404 1.00 23.13 C ATOM 971 CG LYS A 64 -0.888 4.985 -5.722 1.00 54.13 C ATOM 972 CD LYS A 64 -1.969 5.986 -5.349 1.00 71.12 C ATOM 973 CE LYS A 64 -3.206 5.821 -6.219 1.00 30.32 C ATOM 974 NZ LYS A 64 -3.915 7.114 -6.426 1.00 31.31 N ATOM 0 H LYS A 64 -2.879 1.233 -5.618 1.00 2.05 H new ATOM 0 HA LYS A 64 -2.248 3.553 -7.340 1.00 31.23 H new ATOM 0 HB2 LYS A 64 -2.036 3.581 -4.589 1.00 23.13 H new ATOM 0 HB3 LYS A 64 -0.447 3.004 -5.048 1.00 23.13 H new ATOM 0 HG2 LYS A 64 0.029 5.221 -5.183 1.00 54.13 H new ATOM 0 HG3 LYS A 64 -0.663 5.070 -6.785 1.00 54.13 H new ATOM 0 HD2 LYS A 64 -2.240 5.857 -4.301 1.00 71.12 H new ATOM 0 HD3 LYS A 64 -1.581 6.999 -5.455 1.00 71.12 H new ATOM 0 HE2 LYS A 64 -2.918 5.406 -7.185 1.00 30.32 H new ATOM 0 HE3 LYS A 64 -3.884 5.105 -5.754 1.00 30.32 H new ATOM 0 HZ1 LYS A 64 -4.752 6.959 -7.024 1.00 31.31 H new ATOM 0 HZ2 LYS A 64 -4.213 7.498 -5.506 1.00 31.31 H new ATOM 0 HZ3 LYS A 64 -3.276 7.789 -6.893 1.00 31.31 H new ATOM 988 N VAL A 65 -0.948 1.778 -8.554 1.00 50.32 N ATOM 989 CA VAL A 65 -0.008 0.937 -9.285 1.00 21.22 C ATOM 990 C VAL A 65 1.104 1.771 -9.911 1.00 70.22 C ATOM 991 O VAL A 65 0.858 2.855 -10.440 1.00 71.11 O ATOM 992 CB VAL A 65 -0.717 0.133 -10.391 1.00 23.32 C ATOM 993 CG1 VAL A 65 -0.119 0.455 -11.752 1.00 30.20 C ATOM 994 CG2 VAL A 65 -0.633 -1.358 -10.102 1.00 22.51 C ATOM 0 H VAL A 65 -1.642 2.242 -9.140 1.00 50.32 H new ATOM 0 HA VAL A 65 0.424 0.244 -8.563 1.00 21.22 H new ATOM 0 HB VAL A 65 -1.769 0.418 -10.406 1.00 23.32 H new ATOM 0 HG11 VAL A 65 -0.632 -0.122 -12.521 1.00 30.20 H new ATOM 0 HG12 VAL A 65 -0.236 1.519 -11.958 1.00 30.20 H new ATOM 0 HG13 VAL A 65 0.941 0.199 -11.753 1.00 30.20 H new ATOM 0 HG21 VAL A 65 -1.139 -1.911 -10.893 1.00 22.51 H new ATOM 0 HG22 VAL A 65 0.413 -1.662 -10.059 1.00 22.51 H new ATOM 0 HG23 VAL A 65 -1.113 -1.571 -9.147 1.00 22.51 H new ATOM 1004 N ARG A 66 2.328 1.258 -9.848 1.00 63.53 N ATOM 1005 CA ARG A 66 3.479 1.955 -10.409 1.00 0.41 C ATOM 1006 C ARG A 66 4.346 1.004 -11.228 1.00 21.52 C ATOM 1007 O ARG A 66 4.249 -0.216 -11.088 1.00 51.24 O ATOM 1008 CB ARG A 66 4.312 2.589 -9.293 1.00 32.52 C ATOM 1009 CG ARG A 66 3.487 3.385 -8.295 1.00 24.03 C ATOM 1010 CD ARG A 66 4.333 4.426 -7.579 1.00 2.43 C ATOM 1011 NE ARG A 66 3.514 5.465 -6.960 1.00 3.13 N ATOM 1012 CZ ARG A 66 2.876 6.405 -7.648 1.00 4.53 C ATOM 1013 NH1 ARG A 66 2.962 6.437 -8.970 1.00 41.04 N ATOM 1014 NH2 ARG A 66 2.150 7.317 -7.012 1.00 64.45 N ATOM 0 H ARG A 66 2.548 0.362 -9.414 1.00 63.53 H new ATOM 0 HA ARG A 66 3.110 2.740 -11.069 1.00 0.41 H new ATOM 0 HB2 ARG A 66 4.851 1.804 -8.762 1.00 32.52 H new ATOM 0 HB3 ARG A 66 5.061 3.245 -9.738 1.00 32.52 H new ATOM 0 HG2 ARG A 66 2.663 3.877 -8.812 1.00 24.03 H new ATOM 0 HG3 ARG A 66 3.045 2.708 -7.564 1.00 24.03 H new ATOM 0 HD2 ARG A 66 4.938 3.938 -6.815 1.00 2.43 H new ATOM 0 HD3 ARG A 66 5.023 4.883 -8.288 1.00 2.43 H new ATOM 0 HE ARG A 66 3.427 5.469 -5.944 1.00 3.13 H new ATOM 0 HH11 ARG A 66 3.519 5.738 -9.462 1.00 41.04 H new ATOM 0 HH12 ARG A 66 2.471 7.160 -9.496 1.00 41.04 H new ATOM 0 HH21 ARG A 66 2.082 7.296 -5.994 1.00 64.45 H new ATOM 0 HH22 ARG A 66 1.660 8.039 -7.541 1.00 64.45 H new ATOM 1028 N ARG A 67 5.193 1.569 -12.082 1.00 12.22 N ATOM 1029 CA ARG A 67 6.076 0.771 -12.924 1.00 54.21 C ATOM 1030 C ARG A 67 7.425 0.555 -12.246 1.00 22.12 C ATOM 1031 O ARG A 67 8.012 1.488 -11.698 1.00 11.54 O ATOM 1032 CB ARG A 67 6.277 1.453 -14.279 1.00 11.14 C ATOM 1033 CG ARG A 67 7.113 0.639 -15.252 1.00 71.42 C ATOM 1034 CD ARG A 67 7.379 1.408 -16.537 1.00 22.23 C ATOM 1035 NE ARG A 67 8.575 2.241 -16.438 1.00 14.02 N ATOM 1036 CZ ARG A 67 9.812 1.765 -16.529 1.00 15.34 C ATOM 1037 NH1 ARG A 67 10.014 0.469 -16.720 1.00 5.13 N ATOM 1038 NH2 ARG A 67 10.849 2.587 -16.429 1.00 33.13 N ATOM 0 H ARG A 67 5.286 2.577 -12.209 1.00 12.22 H new ATOM 0 HA ARG A 67 5.608 -0.201 -13.080 1.00 54.21 H new ATOM 0 HB2 ARG A 67 5.302 1.649 -14.726 1.00 11.14 H new ATOM 0 HB3 ARG A 67 6.756 2.420 -14.122 1.00 11.14 H new ATOM 0 HG2 ARG A 67 8.060 0.372 -14.784 1.00 71.42 H new ATOM 0 HG3 ARG A 67 6.598 -0.293 -15.484 1.00 71.42 H new ATOM 0 HD2 ARG A 67 7.493 0.706 -17.363 1.00 22.23 H new ATOM 0 HD3 ARG A 67 6.518 2.035 -16.769 1.00 22.23 H new ATOM 0 HE ARG A 67 8.454 3.243 -16.291 1.00 14.02 H new ATOM 0 HH11 ARG A 67 9.219 -0.165 -16.797 1.00 5.13 H new ATOM 0 HH12 ARG A 67 10.965 0.106 -16.790 1.00 5.13 H new ATOM 0 HH21 ARG A 67 10.697 3.585 -16.282 1.00 33.13 H new ATOM 0 HH22 ARG A 67 11.799 2.221 -16.499 1.00 33.13 H new ATOM 1052 N ILE A 68 7.911 -0.681 -12.287 1.00 32.22 N ATOM 1053 CA ILE A 68 9.191 -1.019 -11.677 1.00 32.21 C ATOM 1054 C ILE A 68 9.995 -1.957 -12.571 1.00 20.02 C ATOM 1055 O ILE A 68 9.788 -3.171 -12.561 1.00 50.53 O ATOM 1056 CB ILE A 68 9.001 -1.679 -10.299 1.00 32.45 C ATOM 1057 CG1 ILE A 68 8.262 -0.731 -9.352 1.00 72.11 C ATOM 1058 CG2 ILE A 68 10.347 -2.079 -9.712 1.00 52.25 C ATOM 1059 CD1 ILE A 68 9.160 -0.088 -8.318 1.00 73.23 C ATOM 0 H ILE A 68 7.438 -1.465 -12.736 1.00 32.22 H new ATOM 0 HA ILE A 68 9.737 -0.084 -11.551 1.00 32.21 H new ATOM 0 HB ILE A 68 8.399 -2.579 -10.425 1.00 32.45 H new ATOM 0 HG12 ILE A 68 7.778 0.051 -9.938 1.00 72.11 H new ATOM 0 HG13 ILE A 68 7.472 -1.282 -8.843 1.00 72.11 H new ATOM 0 HG21 ILE A 68 10.195 -2.544 -8.738 1.00 52.25 H new ATOM 0 HG22 ILE A 68 10.839 -2.787 -10.379 1.00 52.25 H new ATOM 0 HG23 ILE A 68 10.972 -1.193 -9.598 1.00 52.25 H new ATOM 0 HD11 ILE A 68 8.569 0.571 -7.682 1.00 73.23 H new ATOM 0 HD12 ILE A 68 9.624 -0.862 -7.707 1.00 73.23 H new ATOM 0 HD13 ILE A 68 9.935 0.492 -8.819 1.00 73.23 H new TER 1071 ILE A 68