USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 413 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 Set 1.1: A 18 ASN : amide:sc= 0.953 K(o=1.9,f=0.65) USER MOD Set 1.2: A 24 THR OG1 : rot -158:sc= 0.936 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0834) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.0155 X(o=-0.015,f=0.0014) USER MOD Single : A 15 LYS NZ :NH3+ -179:sc= 0.0103 (180deg=0.00981) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 34 LYS NZ :NH3+ -145:sc= 0.557 (180deg=-0.035) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0301 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 1.13 K(o=1.1,f=-0.052) USER MOD Single : A 41 ASN : amide:sc= -2.31 K(o=-2.3,f=-3.5) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0474 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N LYS A 2 1.141 -2.178 -1.705 1.00 14.12 N ATOM 12 CA LYS A 2 1.091 -3.294 -2.641 1.00 65.51 C ATOM 13 C LYS A 2 -0.114 -3.175 -3.568 1.00 11.31 C ATOM 14 O LYS A 2 -1.076 -2.470 -3.263 1.00 14.05 O ATOM 15 CB LYS A 2 1.034 -4.622 -1.881 1.00 42.34 C ATOM 16 CG LYS A 2 -0.027 -4.656 -0.795 1.00 51.34 C ATOM 17 CD LYS A 2 0.554 -4.301 0.563 1.00 34.12 C ATOM 18 CE LYS A 2 1.407 -5.432 1.117 1.00 40.11 C ATOM 19 NZ LYS A 2 0.616 -6.352 1.980 1.00 2.14 N ATOM 0 HA LYS A 2 1.997 -3.267 -3.247 1.00 65.51 H new ATOM 0 HB2 LYS A 2 0.843 -5.428 -2.589 1.00 42.34 H new ATOM 0 HB3 LYS A 2 2.008 -4.816 -1.432 1.00 42.34 H new ATOM 0 HG2 LYS A 2 -0.826 -3.958 -1.044 1.00 51.34 H new ATOM 0 HG3 LYS A 2 -0.474 -5.649 -0.752 1.00 51.34 H new ATOM 0 HD2 LYS A 2 1.157 -3.397 0.477 1.00 34.12 H new ATOM 0 HD3 LYS A 2 -0.255 -4.079 1.259 1.00 34.12 H new ATOM 0 HE2 LYS A 2 1.845 -5.994 0.292 1.00 40.11 H new ATOM 0 HE3 LYS A 2 2.234 -5.015 1.692 1.00 40.11 H new ATOM 0 HZ1 LYS A 2 1.233 -7.109 2.338 1.00 2.14 H new ATOM 0 HZ2 LYS A 2 0.219 -5.821 2.781 1.00 2.14 H new ATOM 0 HZ3 LYS A 2 -0.158 -6.770 1.424 1.00 2.14 H new ATOM 33 N TYR A 3 -0.056 -3.868 -4.699 1.00 63.04 N ATOM 34 CA TYR A 3 -1.143 -3.838 -5.671 1.00 24.41 C ATOM 35 C TYR A 3 -1.436 -5.238 -6.203 1.00 41.32 C ATOM 36 O TYR A 3 -0.525 -5.976 -6.579 1.00 61.34 O ATOM 37 CB TYR A 3 -0.794 -2.903 -6.830 1.00 4.35 C ATOM 38 CG TYR A 3 -0.779 -1.441 -6.444 1.00 12.30 C ATOM 39 CD1 TYR A 3 -1.849 -0.871 -5.764 1.00 24.15 C ATOM 40 CD2 TYR A 3 0.303 -0.629 -6.761 1.00 13.23 C ATOM 41 CE1 TYR A 3 -1.840 0.464 -5.410 1.00 14.33 C ATOM 42 CE2 TYR A 3 0.320 0.707 -6.410 1.00 2.14 C ATOM 43 CZ TYR A 3 -0.754 1.249 -5.735 1.00 4.05 C ATOM 44 OH TYR A 3 -0.741 2.580 -5.384 1.00 64.33 O ATOM 0 H TYR A 3 0.732 -4.458 -4.966 1.00 63.04 H new ATOM 0 HA TYR A 3 -2.035 -3.465 -5.169 1.00 24.41 H new ATOM 0 HB2 TYR A 3 0.185 -3.176 -7.224 1.00 4.35 H new ATOM 0 HB3 TYR A 3 -1.514 -3.051 -7.635 1.00 4.35 H new ATOM 0 HD1 TYR A 3 -2.702 -1.482 -5.508 1.00 24.15 H new ATOM 0 HD2 TYR A 3 1.145 -1.049 -7.291 1.00 13.23 H new ATOM 0 HE1 TYR A 3 -2.679 0.891 -4.881 1.00 14.33 H new ATOM 0 HE2 TYR A 3 1.170 1.324 -6.663 1.00 2.14 H new ATOM 0 HH TYR A 3 0.097 2.990 -5.686 1.00 64.33 H new ATOM 54 N THR A 4 -2.716 -5.596 -6.233 1.00 23.43 N ATOM 55 CA THR A 4 -3.131 -6.906 -6.718 1.00 34.31 C ATOM 56 C THR A 4 -3.687 -6.817 -8.134 1.00 52.05 C ATOM 57 O THR A 4 -4.653 -6.098 -8.389 1.00 25.02 O ATOM 58 CB THR A 4 -4.197 -7.534 -5.799 1.00 42.42 C ATOM 59 OG1 THR A 4 -4.149 -6.922 -4.505 1.00 74.02 O ATOM 60 CG2 THR A 4 -3.981 -9.033 -5.665 1.00 65.40 C ATOM 0 H THR A 4 -3.483 -4.997 -5.927 1.00 23.43 H new ATOM 0 HA THR A 4 -2.243 -7.539 -6.718 1.00 34.31 H new ATOM 0 HB THR A 4 -5.177 -7.363 -6.246 1.00 42.42 H new ATOM 0 HG1 THR A 4 -4.830 -7.325 -3.927 1.00 74.02 H new ATOM 0 HG21 THR A 4 -4.745 -9.454 -5.012 1.00 65.40 H new ATOM 0 HG22 THR A 4 -4.047 -9.499 -6.648 1.00 65.40 H new ATOM 0 HG23 THR A 4 -2.996 -9.222 -5.239 1.00 65.40 H new ATOM 68 N GLY A 5 -3.071 -7.553 -9.055 1.00 33.23 N ATOM 69 CA GLY A 5 -3.519 -7.543 -10.435 1.00 15.21 C ATOM 70 C GLY A 5 -3.548 -8.930 -11.046 1.00 14.15 C ATOM 71 O GLY A 5 -2.906 -9.852 -10.542 1.00 54.01 O ATOM 0 H GLY A 5 -2.270 -8.156 -8.869 1.00 33.23 H new ATOM 0 HA2 GLY A 5 -4.516 -7.106 -10.487 1.00 15.21 H new ATOM 0 HA3 GLY A 5 -2.860 -6.904 -11.023 1.00 15.21 H new ATOM 75 N LYS A 6 -4.297 -9.080 -12.133 1.00 64.22 N ATOM 76 CA LYS A 6 -4.408 -10.365 -12.814 1.00 53.31 C ATOM 77 C LYS A 6 -3.832 -10.285 -14.224 1.00 51.12 C ATOM 78 O LYS A 6 -3.928 -9.252 -14.887 1.00 44.34 O ATOM 79 CB LYS A 6 -5.872 -10.808 -12.874 1.00 42.11 C ATOM 80 CG LYS A 6 -6.534 -10.907 -11.511 1.00 24.44 C ATOM 81 CD LYS A 6 -7.473 -9.739 -11.260 1.00 64.40 C ATOM 82 CE LYS A 6 -8.893 -10.063 -11.696 1.00 53.13 C ATOM 83 NZ LYS A 6 -9.744 -10.482 -10.548 1.00 72.24 N ATOM 0 H LYS A 6 -4.836 -8.328 -12.562 1.00 64.22 H new ATOM 0 HA LYS A 6 -3.835 -11.099 -12.248 1.00 53.31 H new ATOM 0 HB2 LYS A 6 -6.431 -10.103 -13.490 1.00 42.11 H new ATOM 0 HB3 LYS A 6 -5.929 -11.778 -13.368 1.00 42.11 H new ATOM 0 HG2 LYS A 6 -7.089 -11.842 -11.443 1.00 24.44 H new ATOM 0 HG3 LYS A 6 -5.769 -10.933 -10.735 1.00 24.44 H new ATOM 0 HD2 LYS A 6 -7.465 -9.486 -10.200 1.00 64.40 H new ATOM 0 HD3 LYS A 6 -7.117 -8.862 -11.800 1.00 64.40 H new ATOM 0 HE2 LYS A 6 -9.334 -9.189 -12.175 1.00 53.13 H new ATOM 0 HE3 LYS A 6 -8.872 -10.858 -12.441 1.00 53.13 H new ATOM 0 HZ1 LYS A 6 -10.704 -10.694 -10.887 1.00 72.24 H new ATOM 0 HZ2 LYS A 6 -9.337 -11.331 -10.106 1.00 72.24 H new ATOM 0 HZ3 LYS A 6 -9.786 -9.714 -9.848 1.00 72.24 H new ATOM 97 N CYS A 7 -3.235 -11.382 -14.677 1.00 71.15 N ATOM 98 CA CYS A 7 -2.644 -11.437 -16.009 1.00 73.21 C ATOM 99 C CYS A 7 -3.176 -12.635 -16.791 1.00 55.31 C ATOM 100 O CYS A 7 -3.776 -13.547 -16.221 1.00 2.02 O ATOM 101 CB CYS A 7 -1.120 -11.515 -15.911 1.00 25.34 C ATOM 102 SG CYS A 7 -0.493 -13.130 -15.348 1.00 24.52 S ATOM 0 H CYS A 7 -3.148 -12.245 -14.141 1.00 71.15 H new ATOM 0 HA CYS A 7 -2.921 -10.526 -16.540 1.00 73.21 H new ATOM 0 HB2 CYS A 7 -0.692 -11.292 -16.888 1.00 25.34 H new ATOM 0 HB3 CYS A 7 -0.771 -10.743 -15.226 1.00 25.34 H new ATOM 107 N THR A 8 -2.953 -12.625 -18.102 1.00 30.43 N ATOM 108 CA THR A 8 -3.410 -13.709 -18.963 1.00 0.23 C ATOM 109 C THR A 8 -2.235 -14.519 -19.498 1.00 43.41 C ATOM 110 O THR A 8 -1.132 -13.997 -19.665 1.00 11.22 O ATOM 111 CB THR A 8 -4.233 -13.174 -20.150 1.00 34.14 C ATOM 112 OG1 THR A 8 -4.203 -11.743 -20.162 1.00 3.54 O ATOM 113 CG2 THR A 8 -5.674 -13.655 -20.069 1.00 14.12 C ATOM 0 H THR A 8 -2.459 -11.878 -18.590 1.00 30.43 H new ATOM 0 HA THR A 8 -4.043 -14.353 -18.352 1.00 0.23 H new ATOM 0 HB THR A 8 -3.790 -13.554 -21.071 1.00 34.14 H new ATOM 0 HG1 THR A 8 -4.727 -11.411 -20.921 1.00 3.54 H new ATOM 0 HG21 THR A 8 -6.236 -13.265 -20.917 1.00 14.12 H new ATOM 0 HG22 THR A 8 -5.696 -14.745 -20.090 1.00 14.12 H new ATOM 0 HG23 THR A 8 -6.124 -13.301 -19.142 1.00 14.12 H new ATOM 121 N LYS A 9 -2.477 -15.797 -19.767 1.00 22.11 N ATOM 122 CA LYS A 9 -1.439 -16.680 -20.286 1.00 30.21 C ATOM 123 C LYS A 9 -1.199 -16.424 -21.770 1.00 44.32 C ATOM 124 O LYS A 9 -0.123 -16.713 -22.293 1.00 44.34 O ATOM 125 CB LYS A 9 -1.829 -18.144 -20.067 1.00 54.40 C ATOM 126 CG LYS A 9 -2.890 -18.641 -21.034 1.00 63.40 C ATOM 127 CD LYS A 9 -3.210 -20.109 -20.803 1.00 52.32 C ATOM 128 CE LYS A 9 -2.073 -21.007 -21.265 1.00 40.12 C ATOM 129 NZ LYS A 9 -1.980 -21.065 -22.750 1.00 51.44 N ATOM 0 H LYS A 9 -3.384 -16.245 -19.634 1.00 22.11 H new ATOM 0 HA LYS A 9 -0.516 -16.471 -19.745 1.00 30.21 H new ATOM 0 HB2 LYS A 9 -0.940 -18.767 -20.165 1.00 54.40 H new ATOM 0 HB3 LYS A 9 -2.193 -18.266 -19.047 1.00 54.40 H new ATOM 0 HG2 LYS A 9 -3.797 -18.047 -20.918 1.00 63.40 H new ATOM 0 HG3 LYS A 9 -2.545 -18.499 -22.058 1.00 63.40 H new ATOM 0 HD2 LYS A 9 -3.401 -20.278 -19.743 1.00 52.32 H new ATOM 0 HD3 LYS A 9 -4.123 -20.372 -21.338 1.00 52.32 H new ATOM 0 HE2 LYS A 9 -1.132 -20.640 -20.856 1.00 40.12 H new ATOM 0 HE3 LYS A 9 -2.221 -22.012 -20.871 1.00 40.12 H new ATOM 0 HZ1 LYS A 9 -1.337 -21.833 -23.028 1.00 51.44 H new ATOM 0 HZ2 LYS A 9 -2.923 -21.242 -23.150 1.00 51.44 H new ATOM 0 HZ3 LYS A 9 -1.615 -20.160 -23.111 1.00 51.44 H new ATOM 143 N SER A 10 -2.207 -15.878 -22.443 1.00 30.22 N ATOM 144 CA SER A 10 -2.106 -15.585 -23.868 1.00 4.24 C ATOM 145 C SER A 10 -1.429 -14.237 -24.098 1.00 12.22 C ATOM 146 O SER A 10 -0.528 -14.114 -24.928 1.00 20.43 O ATOM 147 CB SER A 10 -3.494 -15.588 -24.511 1.00 22.14 C ATOM 148 OG SER A 10 -3.401 -15.622 -25.924 1.00 61.52 O ATOM 0 H SER A 10 -3.103 -15.630 -22.024 1.00 30.22 H new ATOM 0 HA SER A 10 -1.498 -16.362 -24.331 1.00 4.24 H new ATOM 0 HB2 SER A 10 -4.059 -16.451 -24.160 1.00 22.14 H new ATOM 0 HB3 SER A 10 -4.044 -14.699 -24.201 1.00 22.14 H new ATOM 0 HG SER A 10 -4.301 -15.625 -26.311 1.00 61.52 H new ATOM 154 N LYS A 11 -1.871 -13.226 -23.357 1.00 23.23 N ATOM 155 CA LYS A 11 -1.309 -11.886 -23.477 1.00 72.00 C ATOM 156 C LYS A 11 -0.099 -11.719 -22.563 1.00 54.02 C ATOM 157 O LYS A 11 0.681 -10.781 -22.717 1.00 0.53 O ATOM 158 CB LYS A 11 -2.368 -10.835 -23.137 1.00 1.34 C ATOM 159 CG LYS A 11 -2.782 -9.982 -24.323 1.00 73.34 C ATOM 160 CD LYS A 11 -4.294 -9.920 -24.464 1.00 41.24 C ATOM 161 CE LYS A 11 -4.705 -9.355 -25.815 1.00 42.45 C ATOM 162 NZ LYS A 11 -5.295 -7.993 -25.691 1.00 22.11 N ATOM 0 H LYS A 11 -2.617 -13.310 -22.667 1.00 23.23 H new ATOM 0 HA LYS A 11 -0.985 -11.746 -24.508 1.00 72.00 H new ATOM 0 HB2 LYS A 11 -3.249 -11.336 -22.736 1.00 1.34 H new ATOM 0 HB3 LYS A 11 -1.984 -10.186 -22.350 1.00 1.34 H new ATOM 0 HG2 LYS A 11 -2.385 -8.974 -24.204 1.00 73.34 H new ATOM 0 HG3 LYS A 11 -2.347 -10.390 -25.235 1.00 73.34 H new ATOM 0 HD2 LYS A 11 -4.713 -10.919 -24.344 1.00 41.24 H new ATOM 0 HD3 LYS A 11 -4.710 -9.302 -23.668 1.00 41.24 H new ATOM 0 HE2 LYS A 11 -3.836 -9.316 -26.472 1.00 42.45 H new ATOM 0 HE3 LYS A 11 -5.428 -10.023 -26.283 1.00 42.45 H new ATOM 0 HZ1 LYS A 11 -5.562 -7.643 -26.633 1.00 22.11 H new ATOM 0 HZ2 LYS A 11 -6.139 -8.034 -25.085 1.00 22.11 H new ATOM 0 HZ3 LYS A 11 -4.596 -7.349 -25.268 1.00 22.11 H new ATOM 176 N ASN A 12 0.050 -12.636 -21.613 1.00 62.53 N ATOM 177 CA ASN A 12 1.166 -12.591 -20.675 1.00 40.43 C ATOM 178 C ASN A 12 1.320 -11.194 -20.081 1.00 33.15 C ATOM 179 O ASN A 12 2.431 -10.749 -19.797 1.00 22.13 O ATOM 180 CB ASN A 12 2.463 -13.006 -21.373 1.00 0.32 C ATOM 181 CG ASN A 12 3.102 -14.221 -20.730 1.00 30.33 C ATOM 182 OD1 ASN A 12 2.544 -15.318 -20.759 1.00 32.31 O ATOM 183 ND2 ASN A 12 4.279 -14.031 -20.144 1.00 74.02 N ATOM 0 H ASN A 12 -0.588 -13.419 -21.472 1.00 62.53 H new ATOM 0 HA ASN A 12 0.957 -13.290 -19.866 1.00 40.43 H new ATOM 0 HB2 ASN A 12 2.256 -13.220 -22.422 1.00 0.32 H new ATOM 0 HB3 ASN A 12 3.167 -12.174 -21.351 1.00 0.32 H new ATOM 0 HD21 ASN A 12 4.757 -14.812 -19.694 1.00 74.02 H new ATOM 0 HD22 ASN A 12 4.705 -13.104 -20.144 1.00 74.02 H new ATOM 190 N GLU A 13 0.196 -10.509 -19.895 1.00 33.05 N ATOM 191 CA GLU A 13 0.206 -9.163 -19.334 1.00 23.13 C ATOM 192 C GLU A 13 -0.727 -9.068 -18.130 1.00 25.03 C ATOM 193 O GLU A 13 -1.840 -9.594 -18.149 1.00 43.03 O ATOM 194 CB GLU A 13 -0.207 -8.141 -20.395 1.00 20.12 C ATOM 195 CG GLU A 13 -1.710 -8.050 -20.599 1.00 41.31 C ATOM 196 CD GLU A 13 -2.085 -7.714 -22.030 1.00 22.15 C ATOM 197 OE1 GLU A 13 -1.186 -7.324 -22.803 1.00 42.02 O ATOM 198 OE2 GLU A 13 -3.278 -7.842 -22.375 1.00 33.11 O ATOM 0 H GLU A 13 -0.732 -10.864 -20.124 1.00 33.05 H new ATOM 0 HA GLU A 13 1.221 -8.943 -19.003 1.00 23.13 H new ATOM 0 HB2 GLU A 13 0.173 -7.160 -20.110 1.00 20.12 H new ATOM 0 HB3 GLU A 13 0.265 -8.402 -21.342 1.00 20.12 H new ATOM 0 HG2 GLU A 13 -2.169 -8.999 -20.320 1.00 41.31 H new ATOM 0 HG3 GLU A 13 -2.118 -7.290 -19.932 1.00 41.31 H new ATOM 205 N CYS A 14 -0.264 -8.394 -17.082 1.00 40.12 N ATOM 206 CA CYS A 14 -1.054 -8.230 -15.868 1.00 54.32 C ATOM 207 C CYS A 14 -1.790 -6.893 -15.875 1.00 1.32 C ATOM 208 O CYS A 14 -1.505 -6.018 -16.693 1.00 64.11 O ATOM 209 CB CYS A 14 -0.156 -8.324 -14.633 1.00 73.12 C ATOM 210 SG CYS A 14 -0.990 -8.990 -13.157 1.00 20.13 S ATOM 0 H CYS A 14 0.655 -7.953 -17.050 1.00 40.12 H new ATOM 0 HA CYS A 14 -1.792 -9.031 -15.834 1.00 54.32 H new ATOM 0 HB2 CYS A 14 0.702 -8.954 -14.868 1.00 73.12 H new ATOM 0 HB3 CYS A 14 0.231 -7.332 -14.402 1.00 73.12 H new ATOM 215 N LYS A 15 -2.738 -6.741 -14.957 1.00 33.14 N ATOM 216 CA LYS A 15 -3.515 -5.511 -14.854 1.00 22.32 C ATOM 217 C LYS A 15 -3.833 -5.189 -13.397 1.00 42.33 C ATOM 218 O LYS A 15 -4.442 -5.993 -12.692 1.00 20.31 O ATOM 219 CB LYS A 15 -4.813 -5.635 -15.655 1.00 21.01 C ATOM 220 CG LYS A 15 -5.664 -4.377 -15.633 1.00 4.03 C ATOM 221 CD LYS A 15 -6.693 -4.419 -14.516 1.00 21.52 C ATOM 222 CE LYS A 15 -8.010 -5.012 -14.994 1.00 2.13 C ATOM 223 NZ LYS A 15 -8.787 -4.044 -15.816 1.00 73.33 N ATOM 0 H LYS A 15 -2.987 -7.455 -14.273 1.00 33.14 H new ATOM 0 HA LYS A 15 -2.918 -4.698 -15.266 1.00 22.32 H new ATOM 0 HB2 LYS A 15 -4.570 -5.881 -16.689 1.00 21.01 H new ATOM 0 HB3 LYS A 15 -5.397 -6.466 -15.258 1.00 21.01 H new ATOM 0 HG2 LYS A 15 -5.023 -3.505 -15.505 1.00 4.03 H new ATOM 0 HG3 LYS A 15 -6.171 -4.263 -16.591 1.00 4.03 H new ATOM 0 HD2 LYS A 15 -6.307 -5.010 -13.686 1.00 21.52 H new ATOM 0 HD3 LYS A 15 -6.863 -3.411 -14.138 1.00 21.52 H new ATOM 0 HE2 LYS A 15 -7.813 -5.910 -15.580 1.00 2.13 H new ATOM 0 HE3 LYS A 15 -8.605 -5.317 -14.133 1.00 2.13 H new ATOM 0 HZ1 LYS A 15 -9.685 -4.479 -16.108 1.00 73.33 H new ATOM 0 HZ2 LYS A 15 -8.982 -3.190 -15.255 1.00 73.33 H new ATOM 0 HZ3 LYS A 15 -8.237 -3.785 -16.660 1.00 73.33 H new ATOM 237 N TYR A 16 -3.418 -4.007 -12.954 1.00 30.33 N ATOM 238 CA TYR A 16 -3.658 -3.579 -11.581 1.00 31.12 C ATOM 239 C TYR A 16 -4.008 -2.095 -11.526 1.00 63.12 C ATOM 240 O TYR A 16 -3.781 -1.355 -12.484 1.00 21.50 O ATOM 241 CB TYR A 16 -2.428 -3.857 -10.715 1.00 41.13 C ATOM 242 CG TYR A 16 -1.166 -3.202 -11.229 1.00 65.44 C ATOM 243 CD1 TYR A 16 -0.392 -3.814 -12.209 1.00 11.43 C ATOM 244 CD2 TYR A 16 -0.746 -1.974 -10.735 1.00 44.44 C ATOM 245 CE1 TYR A 16 0.762 -3.220 -12.681 1.00 44.21 C ATOM 246 CE2 TYR A 16 0.407 -1.372 -11.203 1.00 14.22 C ATOM 247 CZ TYR A 16 1.157 -1.999 -12.175 1.00 42.24 C ATOM 248 OH TYR A 16 2.306 -1.403 -12.643 1.00 24.23 O ATOM 0 H TYR A 16 -2.914 -3.329 -13.526 1.00 30.33 H new ATOM 0 HA TYR A 16 -4.503 -4.148 -11.193 1.00 31.12 H new ATOM 0 HB2 TYR A 16 -2.622 -3.508 -9.701 1.00 41.13 H new ATOM 0 HB3 TYR A 16 -2.271 -4.934 -10.657 1.00 41.13 H new ATOM 0 HD1 TYR A 16 -0.698 -4.770 -12.608 1.00 11.43 H new ATOM 0 HD2 TYR A 16 -1.330 -1.481 -9.972 1.00 44.44 H new ATOM 0 HE1 TYR A 16 1.352 -3.709 -13.442 1.00 44.21 H new ATOM 0 HE2 TYR A 16 0.719 -0.416 -10.809 1.00 14.22 H new ATOM 0 HH TYR A 16 2.441 -0.548 -12.184 1.00 24.23 H new ATOM 258 N LYS A 17 -4.561 -1.666 -10.397 1.00 53.32 N ATOM 259 CA LYS A 17 -4.942 -0.270 -10.213 1.00 63.15 C ATOM 260 C LYS A 17 -3.858 0.494 -9.459 1.00 54.33 C ATOM 261 O LYS A 17 -3.312 0.003 -8.473 1.00 1.13 O ATOM 262 CB LYS A 17 -6.268 -0.177 -9.456 1.00 20.13 C ATOM 263 CG LYS A 17 -7.488 -0.193 -10.360 1.00 61.34 C ATOM 264 CD LYS A 17 -8.757 -0.495 -9.580 1.00 44.15 C ATOM 265 CE LYS A 17 -9.235 -1.918 -9.823 1.00 22.20 C ATOM 266 NZ LYS A 17 -10.721 -2.007 -9.849 1.00 71.12 N ATOM 0 H LYS A 17 -4.756 -2.265 -9.595 1.00 53.32 H new ATOM 0 HA LYS A 17 -5.062 0.181 -11.198 1.00 63.15 H new ATOM 0 HB2 LYS A 17 -6.335 -1.009 -8.755 1.00 20.13 H new ATOM 0 HB3 LYS A 17 -6.276 0.739 -8.866 1.00 20.13 H new ATOM 0 HG2 LYS A 17 -7.586 0.772 -10.857 1.00 61.34 H new ATOM 0 HG3 LYS A 17 -7.353 -0.941 -11.141 1.00 61.34 H new ATOM 0 HD2 LYS A 17 -8.575 -0.348 -8.515 1.00 44.15 H new ATOM 0 HD3 LYS A 17 -9.539 0.207 -9.869 1.00 44.15 H new ATOM 0 HE2 LYS A 17 -8.833 -2.280 -10.769 1.00 22.20 H new ATOM 0 HE3 LYS A 17 -8.846 -2.570 -9.041 1.00 22.20 H new ATOM 0 HZ1 LYS A 17 -11.007 -2.993 -10.017 1.00 71.12 H new ATOM 0 HZ2 LYS A 17 -11.104 -1.686 -8.937 1.00 71.12 H new ATOM 0 HZ3 LYS A 17 -11.092 -1.404 -10.611 1.00 71.12 H new ATOM 280 N ASN A 18 -3.554 1.699 -9.930 1.00 13.51 N ATOM 281 CA ASN A 18 -2.537 2.532 -9.299 1.00 3.13 C ATOM 282 C ASN A 18 -3.170 3.522 -8.326 1.00 54.22 C ATOM 283 O ASN A 18 -4.368 3.455 -8.048 1.00 62.20 O ATOM 284 CB ASN A 18 -1.734 3.286 -10.361 1.00 11.01 C ATOM 285 CG ASN A 18 -1.907 2.692 -11.746 1.00 2.33 C ATOM 286 OD1 ASN A 18 -1.166 1.794 -12.145 1.00 3.01 O ATOM 287 ND2 ASN A 18 -2.889 3.193 -12.486 1.00 1.52 N ATOM 0 H ASN A 18 -3.997 2.120 -10.746 1.00 13.51 H new ATOM 0 HA ASN A 18 -1.866 1.880 -8.740 1.00 3.13 H new ATOM 0 HB2 ASN A 18 -2.046 4.330 -10.375 1.00 11.01 H new ATOM 0 HB3 ASN A 18 -0.678 3.272 -10.092 1.00 11.01 H new ATOM 0 HD21 ASN A 18 -3.053 2.833 -13.426 1.00 1.52 H new ATOM 0 HD22 ASN A 18 -3.479 3.937 -12.114 1.00 1.52 H new ATOM 294 N ASP A 19 -2.359 4.441 -7.813 1.00 71.53 N ATOM 295 CA ASP A 19 -2.840 5.446 -6.873 1.00 50.20 C ATOM 296 C ASP A 19 -3.896 6.335 -7.522 1.00 13.53 C ATOM 297 O ASP A 19 -4.650 7.023 -6.834 1.00 11.21 O ATOM 298 CB ASP A 19 -1.676 6.301 -6.368 1.00 35.42 C ATOM 299 CG ASP A 19 -1.133 7.229 -7.436 1.00 71.23 C ATOM 300 OD1 ASP A 19 -1.229 6.879 -8.631 1.00 72.15 O ATOM 301 OD2 ASP A 19 -0.613 8.305 -7.077 1.00 45.54 O ATOM 0 H ASP A 19 -1.365 4.510 -8.033 1.00 71.53 H new ATOM 0 HA ASP A 19 -3.295 4.930 -6.028 1.00 50.20 H new ATOM 0 HB2 ASP A 19 -2.006 6.890 -5.513 1.00 35.42 H new ATOM 0 HB3 ASP A 19 -0.876 5.649 -6.016 1.00 35.42 H new ATOM 306 N ALA A 20 -3.944 6.317 -8.850 1.00 23.13 N ATOM 307 CA ALA A 20 -4.908 7.121 -9.591 1.00 23.40 C ATOM 308 C ALA A 20 -6.306 6.518 -9.506 1.00 22.15 C ATOM 309 O ALA A 20 -7.298 7.181 -9.805 1.00 3.45 O ATOM 310 CB ALA A 20 -4.477 7.255 -11.044 1.00 25.31 C ATOM 0 H ALA A 20 -3.326 5.754 -9.435 1.00 23.13 H new ATOM 0 HA ALA A 20 -4.940 8.113 -9.140 1.00 23.40 H new ATOM 0 HB1 ALA A 20 -5.206 7.858 -11.586 1.00 25.31 H new ATOM 0 HB2 ALA A 20 -3.501 7.737 -11.091 1.00 25.31 H new ATOM 0 HB3 ALA A 20 -4.415 6.266 -11.498 1.00 25.31 H new ATOM 316 N GLY A 21 -6.377 5.255 -9.096 1.00 31.11 N ATOM 317 CA GLY A 21 -7.659 4.584 -8.980 1.00 24.05 C ATOM 318 C GLY A 21 -8.092 3.933 -10.278 1.00 54.41 C ATOM 319 O GLY A 21 -9.058 3.170 -10.307 1.00 23.42 O ATOM 0 H GLY A 21 -5.570 4.685 -8.842 1.00 31.11 H new ATOM 0 HA2 GLY A 21 -7.599 3.826 -8.199 1.00 24.05 H new ATOM 0 HA3 GLY A 21 -8.416 5.304 -8.668 1.00 24.05 H new ATOM 323 N LYS A 22 -7.379 4.237 -11.357 1.00 71.12 N ATOM 324 CA LYS A 22 -7.695 3.677 -12.666 1.00 41.20 C ATOM 325 C LYS A 22 -6.991 2.340 -12.870 1.00 22.40 C ATOM 326 O LYS A 22 -5.994 2.045 -12.211 1.00 4.35 O ATOM 327 CB LYS A 22 -7.289 4.653 -13.772 1.00 43.34 C ATOM 328 CG LYS A 22 -8.439 5.499 -14.290 1.00 75.45 C ATOM 329 CD LYS A 22 -8.152 6.039 -15.681 1.00 52.32 C ATOM 330 CE LYS A 22 -7.533 7.427 -15.623 1.00 12.44 C ATOM 331 NZ LYS A 22 -8.565 8.499 -15.704 1.00 24.53 N ATOM 0 H LYS A 22 -6.578 4.868 -11.351 1.00 71.12 H new ATOM 0 HA LYS A 22 -8.771 3.512 -12.713 1.00 41.20 H new ATOM 0 HB2 LYS A 22 -6.506 5.311 -13.395 1.00 43.34 H new ATOM 0 HB3 LYS A 22 -6.860 4.091 -14.602 1.00 43.34 H new ATOM 0 HG2 LYS A 22 -9.350 4.902 -14.312 1.00 75.45 H new ATOM 0 HG3 LYS A 22 -8.618 6.329 -13.606 1.00 75.45 H new ATOM 0 HD2 LYS A 22 -7.478 5.360 -16.204 1.00 52.32 H new ATOM 0 HD3 LYS A 22 -9.077 6.076 -16.256 1.00 52.32 H new ATOM 0 HE2 LYS A 22 -6.969 7.535 -14.696 1.00 12.44 H new ATOM 0 HE3 LYS A 22 -6.824 7.543 -16.443 1.00 12.44 H new ATOM 0 HZ1 LYS A 22 -8.103 9.430 -15.661 1.00 24.53 H new ATOM 0 HZ2 LYS A 22 -9.086 8.412 -16.600 1.00 24.53 H new ATOM 0 HZ3 LYS A 22 -9.227 8.404 -14.908 1.00 24.53 H new ATOM 345 N ASP A 23 -7.515 1.534 -13.787 1.00 43.34 N ATOM 346 CA ASP A 23 -6.935 0.229 -14.080 1.00 64.20 C ATOM 347 C ASP A 23 -5.839 0.345 -15.136 1.00 14.14 C ATOM 348 O ASP A 23 -6.040 0.946 -16.191 1.00 53.54 O ATOM 349 CB ASP A 23 -8.018 -0.740 -14.556 1.00 54.42 C ATOM 350 CG ASP A 23 -8.860 -1.274 -13.414 1.00 24.21 C ATOM 351 OD1 ASP A 23 -9.644 -0.492 -12.838 1.00 42.52 O ATOM 352 OD2 ASP A 23 -8.733 -2.475 -13.095 1.00 32.30 O ATOM 0 H ASP A 23 -8.341 1.762 -14.340 1.00 43.34 H new ATOM 0 HA ASP A 23 -6.491 -0.157 -13.162 1.00 64.20 H new ATOM 0 HB2 ASP A 23 -8.664 -0.234 -15.274 1.00 54.42 H new ATOM 0 HB3 ASP A 23 -7.551 -1.574 -15.080 1.00 54.42 H new ATOM 357 N THR A 24 -4.679 -0.234 -14.843 1.00 43.33 N ATOM 358 CA THR A 24 -3.551 -0.193 -15.765 1.00 61.35 C ATOM 359 C THR A 24 -3.038 -1.596 -16.068 1.00 62.44 C ATOM 360 O THR A 24 -2.886 -2.421 -15.167 1.00 2.23 O ATOM 361 CB THR A 24 -2.394 0.653 -15.202 1.00 12.44 C ATOM 362 OG1 THR A 24 -2.831 2.001 -14.992 1.00 25.03 O ATOM 363 CG2 THR A 24 -1.204 0.642 -16.148 1.00 43.04 C ATOM 0 H THR A 24 -4.496 -0.737 -13.975 1.00 43.33 H new ATOM 0 HA THR A 24 -3.912 0.266 -16.685 1.00 61.35 H new ATOM 0 HB THR A 24 -2.085 0.219 -14.251 1.00 12.44 H new ATOM 0 HG1 THR A 24 -2.054 2.598 -14.977 1.00 25.03 H new ATOM 0 HG21 THR A 24 -0.400 1.246 -15.728 1.00 43.04 H new ATOM 0 HG22 THR A 24 -0.856 -0.382 -16.283 1.00 43.04 H new ATOM 0 HG23 THR A 24 -1.502 1.054 -17.112 1.00 43.04 H new ATOM 371 N PHE A 25 -2.772 -1.862 -17.343 1.00 43.31 N ATOM 372 CA PHE A 25 -2.275 -3.166 -17.765 1.00 34.40 C ATOM 373 C PHE A 25 -0.833 -3.068 -18.253 1.00 1.22 C ATOM 374 O PHE A 25 -0.465 -2.121 -18.949 1.00 14.22 O ATOM 375 CB PHE A 25 -3.162 -3.739 -18.872 1.00 72.25 C ATOM 376 CG PHE A 25 -3.477 -2.752 -19.960 1.00 3.34 C ATOM 377 CD1 PHE A 25 -2.559 -2.493 -20.965 1.00 73.24 C ATOM 378 CD2 PHE A 25 -4.690 -2.082 -19.976 1.00 63.53 C ATOM 379 CE1 PHE A 25 -2.846 -1.584 -21.966 1.00 61.44 C ATOM 380 CE2 PHE A 25 -4.982 -1.173 -20.975 1.00 52.21 C ATOM 381 CZ PHE A 25 -4.059 -0.924 -21.972 1.00 33.30 C ATOM 0 H PHE A 25 -2.893 -1.191 -18.102 1.00 43.31 H new ATOM 0 HA PHE A 25 -2.303 -3.833 -16.904 1.00 34.40 H new ATOM 0 HB2 PHE A 25 -2.667 -4.606 -19.311 1.00 72.25 H new ATOM 0 HB3 PHE A 25 -4.095 -4.093 -18.433 1.00 72.25 H new ATOM 0 HD1 PHE A 25 -1.609 -3.007 -20.966 1.00 73.24 H new ATOM 0 HD2 PHE A 25 -5.415 -2.272 -19.199 1.00 63.53 H new ATOM 0 HE1 PHE A 25 -2.122 -1.390 -22.743 1.00 61.44 H new ATOM 0 HE2 PHE A 25 -5.931 -0.658 -20.976 1.00 52.21 H new ATOM 0 HZ PHE A 25 -4.285 -0.215 -22.754 1.00 33.30 H new ATOM 391 N ILE A 26 -0.021 -4.052 -17.882 1.00 42.10 N ATOM 392 CA ILE A 26 1.381 -4.077 -18.282 1.00 14.32 C ATOM 393 C ILE A 26 1.838 -5.497 -18.596 1.00 75.13 C ATOM 394 O ILE A 26 1.486 -6.445 -17.893 1.00 50.40 O ATOM 395 CB ILE A 26 2.289 -3.488 -17.186 1.00 41.03 C ATOM 396 CG1 ILE A 26 3.678 -3.186 -17.753 1.00 21.54 C ATOM 397 CG2 ILE A 26 2.388 -4.446 -16.009 1.00 33.14 C ATOM 398 CD1 ILE A 26 4.323 -1.958 -17.150 1.00 30.25 C ATOM 0 H ILE A 26 -0.309 -4.842 -17.305 1.00 42.10 H new ATOM 0 HA ILE A 26 1.464 -3.465 -19.180 1.00 14.32 H new ATOM 0 HB ILE A 26 1.850 -2.555 -16.833 1.00 41.03 H new ATOM 0 HG12 ILE A 26 4.325 -4.046 -17.584 1.00 21.54 H new ATOM 0 HG13 ILE A 26 3.600 -3.053 -18.832 1.00 21.54 H new ATOM 0 HG21 ILE A 26 3.033 -4.016 -15.243 1.00 33.14 H new ATOM 0 HG22 ILE A 26 1.395 -4.616 -15.594 1.00 33.14 H new ATOM 0 HG23 ILE A 26 2.807 -5.394 -16.346 1.00 33.14 H new ATOM 0 HD11 ILE A 26 5.304 -1.805 -17.599 1.00 30.25 H new ATOM 0 HD12 ILE A 26 3.697 -1.087 -17.342 1.00 30.25 H new ATOM 0 HD13 ILE A 26 4.433 -2.096 -16.074 1.00 30.25 H new ATOM 410 N LYS A 27 2.625 -5.638 -19.657 1.00 61.11 N ATOM 411 CA LYS A 27 3.134 -6.942 -20.065 1.00 23.23 C ATOM 412 C LYS A 27 4.111 -7.493 -19.030 1.00 55.21 C ATOM 413 O LYS A 27 4.812 -6.735 -18.359 1.00 21.52 O ATOM 414 CB LYS A 27 3.823 -6.841 -21.428 1.00 13.43 C ATOM 415 CG LYS A 27 4.518 -5.510 -21.660 1.00 62.41 C ATOM 416 CD LYS A 27 5.481 -5.180 -20.532 1.00 14.33 C ATOM 417 CE LYS A 27 6.434 -4.061 -20.922 1.00 52.42 C ATOM 418 NZ LYS A 27 7.773 -4.228 -20.293 1.00 1.11 N ATOM 0 H LYS A 27 2.924 -4.864 -20.251 1.00 61.11 H new ATOM 0 HA LYS A 27 2.289 -7.626 -20.142 1.00 23.23 H new ATOM 0 HB2 LYS A 27 4.555 -7.644 -21.516 1.00 13.43 H new ATOM 0 HB3 LYS A 27 3.083 -6.997 -22.213 1.00 13.43 H new ATOM 0 HG2 LYS A 27 5.060 -5.541 -22.605 1.00 62.41 H new ATOM 0 HG3 LYS A 27 3.773 -4.719 -21.746 1.00 62.41 H new ATOM 0 HD2 LYS A 27 4.918 -4.887 -19.646 1.00 14.33 H new ATOM 0 HD3 LYS A 27 6.052 -6.070 -20.268 1.00 14.33 H new ATOM 0 HE2 LYS A 27 6.543 -4.038 -22.006 1.00 52.42 H new ATOM 0 HE3 LYS A 27 6.010 -3.102 -20.624 1.00 52.42 H new ATOM 0 HZ1 LYS A 27 8.393 -3.445 -20.584 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 7.673 -4.225 -19.258 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 8.189 -5.131 -20.598 1.00 1.11 H new ATOM 432 N CYS A 28 4.152 -8.815 -18.907 1.00 73.20 N ATOM 433 CA CYS A 28 5.043 -9.468 -17.955 1.00 54.23 C ATOM 434 C CYS A 28 6.264 -10.047 -18.663 1.00 23.02 C ATOM 435 O CYS A 28 6.275 -10.239 -19.879 1.00 24.42 O ATOM 436 CB CYS A 28 4.300 -10.576 -17.207 1.00 33.40 C ATOM 437 SG CYS A 28 3.463 -10.017 -15.689 1.00 12.23 S ATOM 0 H CYS A 28 3.578 -9.456 -19.455 1.00 73.20 H new ATOM 0 HA CYS A 28 5.381 -8.719 -17.239 1.00 54.23 H new ATOM 0 HB2 CYS A 28 3.561 -11.018 -17.875 1.00 33.40 H new ATOM 0 HB3 CYS A 28 5.008 -11.364 -16.950 1.00 33.40 H new ATOM 442 N PRO A 29 7.319 -10.332 -17.884 1.00 72.24 N ATOM 443 CA PRO A 29 8.565 -10.894 -18.414 1.00 73.21 C ATOM 444 C PRO A 29 8.397 -12.335 -18.883 1.00 62.35 C ATOM 445 O PRO A 29 7.677 -13.121 -18.267 1.00 0.44 O ATOM 446 CB PRO A 29 9.520 -10.828 -17.220 1.00 34.55 C ATOM 447 CG PRO A 29 8.632 -10.850 -16.023 1.00 52.23 C ATOM 448 CD PRO A 29 7.376 -10.129 -16.427 1.00 54.41 C ATOM 0 HA PRO A 29 8.918 -10.349 -19.290 1.00 73.21 H new ATOM 0 HB2 PRO A 29 10.209 -11.672 -17.217 1.00 34.55 H new ATOM 0 HB3 PRO A 29 10.126 -9.922 -17.247 1.00 34.55 H new ATOM 0 HG2 PRO A 29 8.414 -11.873 -15.718 1.00 52.23 H new ATOM 0 HG3 PRO A 29 9.108 -10.359 -15.174 1.00 52.23 H new ATOM 0 HD2 PRO A 29 6.498 -10.541 -15.929 1.00 54.41 H new ATOM 0 HD3 PRO A 29 7.420 -9.071 -16.170 1.00 54.41 H new ATOM 456 N LYS A 30 9.067 -12.678 -19.979 1.00 1.43 N ATOM 457 CA LYS A 30 8.994 -14.025 -20.531 1.00 24.22 C ATOM 458 C LYS A 30 10.000 -14.947 -19.849 1.00 31.52 C ATOM 459 O LYS A 30 10.219 -16.076 -20.288 1.00 62.44 O ATOM 460 CB LYS A 30 9.255 -13.995 -22.039 1.00 33.54 C ATOM 461 CG LYS A 30 8.560 -15.112 -22.798 1.00 32.41 C ATOM 462 CD LYS A 30 7.717 -14.570 -23.940 1.00 63.12 C ATOM 463 CE LYS A 30 6.497 -15.441 -24.195 1.00 15.13 C ATOM 464 NZ LYS A 30 6.212 -15.586 -25.649 1.00 51.42 N ATOM 0 H LYS A 30 9.667 -12.040 -20.502 1.00 1.43 H new ATOM 0 HA LYS A 30 7.991 -14.412 -20.349 1.00 24.22 H new ATOM 0 HB2 LYS A 30 8.925 -13.036 -22.438 1.00 33.54 H new ATOM 0 HB3 LYS A 30 10.329 -14.061 -22.215 1.00 33.54 H new ATOM 0 HG2 LYS A 30 9.305 -15.804 -23.191 1.00 32.41 H new ATOM 0 HG3 LYS A 30 7.927 -15.679 -22.115 1.00 32.41 H new ATOM 0 HD2 LYS A 30 7.398 -13.554 -23.707 1.00 63.12 H new ATOM 0 HD3 LYS A 30 8.321 -14.515 -24.845 1.00 63.12 H new ATOM 0 HE2 LYS A 30 6.656 -16.426 -23.756 1.00 15.13 H new ATOM 0 HE3 LYS A 30 5.630 -15.007 -23.697 1.00 15.13 H new ATOM 0 HZ1 LYS A 30 5.373 -16.187 -25.780 1.00 51.42 H new ATOM 0 HZ2 LYS A 30 6.035 -14.649 -26.063 1.00 51.42 H new ATOM 0 HZ3 LYS A 30 7.029 -16.024 -26.121 1.00 51.42 H new ATOM 478 N PHE A 31 10.607 -14.460 -18.772 1.00 22.20 N ATOM 479 CA PHE A 31 11.589 -15.241 -18.029 1.00 21.32 C ATOM 480 C PHE A 31 10.904 -16.293 -17.162 1.00 33.24 C ATOM 481 O PHE A 31 9.808 -16.071 -16.647 1.00 54.20 O ATOM 482 CB PHE A 31 12.447 -14.324 -17.155 1.00 53.40 C ATOM 483 CG PHE A 31 13.439 -13.509 -17.935 1.00 22.34 C ATOM 484 CD1 PHE A 31 13.050 -12.342 -18.571 1.00 51.20 C ATOM 485 CD2 PHE A 31 14.762 -13.912 -18.031 1.00 54.25 C ATOM 486 CE1 PHE A 31 13.961 -11.590 -19.289 1.00 12.10 C ATOM 487 CE2 PHE A 31 15.677 -13.164 -18.748 1.00 11.24 C ATOM 488 CZ PHE A 31 15.276 -12.002 -19.378 1.00 71.21 C ATOM 0 H PHE A 31 10.436 -13.528 -18.394 1.00 22.20 H new ATOM 0 HA PHE A 31 12.231 -15.750 -18.749 1.00 21.32 H new ATOM 0 HB2 PHE A 31 11.795 -13.652 -16.598 1.00 53.40 H new ATOM 0 HB3 PHE A 31 12.982 -14.929 -16.423 1.00 53.40 H new ATOM 0 HD1 PHE A 31 12.023 -12.015 -18.505 1.00 51.20 H new ATOM 0 HD2 PHE A 31 15.081 -14.820 -17.541 1.00 54.25 H new ATOM 0 HE1 PHE A 31 13.645 -10.681 -19.780 1.00 12.10 H new ATOM 0 HE2 PHE A 31 16.705 -13.488 -18.816 1.00 11.24 H new ATOM 0 HZ PHE A 31 15.990 -11.417 -19.939 1.00 71.21 H new ATOM 498 N ASP A 32 11.557 -17.439 -17.005 1.00 61.21 N ATOM 499 CA ASP A 32 11.012 -18.526 -16.200 1.00 61.33 C ATOM 500 C ASP A 32 10.838 -18.093 -14.748 1.00 52.21 C ATOM 501 O ASP A 32 10.112 -18.727 -13.984 1.00 21.13 O ATOM 502 CB ASP A 32 11.925 -19.751 -16.274 1.00 22.12 C ATOM 503 CG ASP A 32 11.325 -20.872 -17.100 1.00 44.32 C ATOM 504 OD1 ASP A 32 11.096 -20.659 -18.309 1.00 60.41 O ATOM 505 OD2 ASP A 32 11.085 -21.961 -16.538 1.00 14.30 O ATOM 0 H ASP A 32 12.465 -17.639 -17.425 1.00 61.21 H new ATOM 0 HA ASP A 32 10.033 -18.787 -16.602 1.00 61.33 H new ATOM 0 HB2 ASP A 32 12.884 -19.460 -16.703 1.00 22.12 H new ATOM 0 HB3 ASP A 32 12.124 -20.113 -15.265 1.00 22.12 H new ATOM 510 N ASN A 33 11.509 -17.008 -14.375 1.00 24.30 N ATOM 511 CA ASN A 33 11.430 -16.491 -13.014 1.00 10.22 C ATOM 512 C ASN A 33 10.044 -15.922 -12.728 1.00 54.42 C ATOM 513 O ASN A 33 9.548 -15.999 -11.604 1.00 12.31 O ATOM 514 CB ASN A 33 12.492 -15.412 -12.793 1.00 51.45 C ATOM 515 CG ASN A 33 13.897 -15.981 -12.761 1.00 60.11 C ATOM 516 OD1 ASN A 33 14.159 -16.980 -12.090 1.00 52.42 O ATOM 517 ND2 ASN A 33 14.809 -15.347 -13.488 1.00 44.51 N ATOM 0 H ASN A 33 12.113 -16.470 -14.996 1.00 24.30 H new ATOM 0 HA ASN A 33 11.613 -17.317 -12.327 1.00 10.22 H new ATOM 0 HB2 ASN A 33 12.422 -14.669 -13.588 1.00 51.45 H new ATOM 0 HB3 ASN A 33 12.291 -14.895 -11.855 1.00 51.45 H new ATOM 0 HD21 ASN A 33 15.772 -15.684 -13.506 1.00 44.51 H new ATOM 0 HD22 ASN A 33 14.547 -14.523 -14.029 1.00 44.51 H new ATOM 524 N LYS A 34 9.422 -15.350 -13.754 1.00 71.21 N ATOM 525 CA LYS A 34 8.092 -14.769 -13.616 1.00 33.10 C ATOM 526 C LYS A 34 7.391 -14.687 -14.968 1.00 73.12 C ATOM 527 O LYS A 34 7.912 -14.098 -15.915 1.00 45.11 O ATOM 528 CB LYS A 34 8.184 -13.375 -12.992 1.00 41.21 C ATOM 529 CG LYS A 34 8.301 -13.393 -11.478 1.00 1.42 C ATOM 530 CD LYS A 34 9.727 -13.127 -11.026 1.00 22.55 C ATOM 531 CE LYS A 34 10.029 -13.813 -9.702 1.00 33.13 C ATOM 532 NZ LYS A 34 10.854 -12.955 -8.808 1.00 4.41 N ATOM 0 H LYS A 34 9.819 -15.277 -14.691 1.00 71.21 H new ATOM 0 HA LYS A 34 7.507 -15.415 -12.962 1.00 33.10 H new ATOM 0 HB2 LYS A 34 9.047 -12.856 -13.409 1.00 41.21 H new ATOM 0 HB3 LYS A 34 7.301 -12.801 -13.273 1.00 41.21 H new ATOM 0 HG2 LYS A 34 7.637 -12.641 -11.052 1.00 1.42 H new ATOM 0 HG3 LYS A 34 7.972 -14.360 -11.098 1.00 1.42 H new ATOM 0 HD2 LYS A 34 10.423 -13.480 -11.787 1.00 22.55 H new ATOM 0 HD3 LYS A 34 9.883 -12.053 -10.925 1.00 22.55 H new ATOM 0 HE2 LYS A 34 9.094 -14.065 -9.202 1.00 33.13 H new ATOM 0 HE3 LYS A 34 10.552 -14.750 -9.890 1.00 33.13 H new ATOM 0 HZ1 LYS A 34 11.507 -13.551 -8.261 1.00 4.41 H new ATOM 0 HZ2 LYS A 34 11.399 -12.279 -9.381 1.00 4.41 H new ATOM 0 HZ3 LYS A 34 10.233 -12.434 -8.157 1.00 4.41 H new ATOM 546 N LYS A 35 6.205 -15.280 -15.052 1.00 32.43 N ATOM 547 CA LYS A 35 5.430 -15.273 -16.287 1.00 0.52 C ATOM 548 C LYS A 35 3.994 -15.719 -16.031 1.00 61.33 C ATOM 549 O LYS A 35 3.637 -16.085 -14.911 1.00 12.51 O ATOM 550 CB LYS A 35 6.082 -16.186 -17.328 1.00 12.52 C ATOM 551 CG LYS A 35 6.242 -17.622 -16.862 1.00 32.33 C ATOM 552 CD LYS A 35 7.367 -18.327 -17.602 1.00 14.43 C ATOM 553 CE LYS A 35 6.850 -19.511 -18.405 1.00 12.53 C ATOM 554 NZ LYS A 35 7.162 -20.808 -17.744 1.00 4.22 N ATOM 0 H LYS A 35 5.759 -15.772 -14.278 1.00 32.43 H new ATOM 0 HA LYS A 35 5.412 -14.252 -16.669 1.00 0.52 H new ATOM 0 HB2 LYS A 35 5.482 -16.173 -18.238 1.00 12.52 H new ATOM 0 HB3 LYS A 35 7.062 -15.786 -17.587 1.00 12.52 H new ATOM 0 HG2 LYS A 35 6.444 -17.637 -15.791 1.00 32.33 H new ATOM 0 HG3 LYS A 35 5.308 -18.162 -17.018 1.00 32.33 H new ATOM 0 HD2 LYS A 35 7.863 -17.622 -18.269 1.00 14.43 H new ATOM 0 HD3 LYS A 35 8.115 -18.670 -16.887 1.00 14.43 H new ATOM 0 HE2 LYS A 35 5.772 -19.419 -18.534 1.00 12.53 H new ATOM 0 HE3 LYS A 35 7.292 -19.495 -19.401 1.00 12.53 H new ATOM 0 HZ1 LYS A 35 6.793 -21.590 -18.322 1.00 4.22 H new ATOM 0 HZ2 LYS A 35 8.192 -20.908 -17.644 1.00 4.22 H new ATOM 0 HZ3 LYS A 35 6.719 -20.834 -16.804 1.00 4.22 H new ATOM 568 N CYS A 36 3.175 -15.689 -17.077 1.00 70.41 N ATOM 569 CA CYS A 36 1.778 -16.092 -16.967 1.00 22.12 C ATOM 570 C CYS A 36 1.537 -17.419 -17.680 1.00 73.14 C ATOM 571 O CYS A 36 1.692 -17.520 -18.898 1.00 74.00 O ATOM 572 CB CYS A 36 0.866 -15.012 -17.553 1.00 25.13 C ATOM 573 SG CYS A 36 -0.590 -14.632 -16.527 1.00 74.21 S ATOM 0 H CYS A 36 3.455 -15.390 -18.011 1.00 70.41 H new ATOM 0 HA CYS A 36 1.545 -16.220 -15.910 1.00 22.12 H new ATOM 0 HB2 CYS A 36 1.445 -14.100 -17.695 1.00 25.13 H new ATOM 0 HB3 CYS A 36 0.529 -15.332 -18.539 1.00 25.13 H new ATOM 578 N THR A 37 1.156 -18.436 -16.914 1.00 33.32 N ATOM 579 CA THR A 37 0.893 -19.757 -17.471 1.00 65.11 C ATOM 580 C THR A 37 -0.602 -19.993 -17.647 1.00 53.54 C ATOM 581 O THR A 37 -1.028 -20.681 -18.575 1.00 52.43 O ATOM 582 CB THR A 37 1.475 -20.869 -16.578 1.00 31.30 C ATOM 583 OG1 THR A 37 1.491 -20.442 -15.211 1.00 41.14 O ATOM 584 CG2 THR A 37 2.885 -21.234 -17.017 1.00 72.42 C ATOM 0 H THR A 37 1.023 -18.370 -15.905 1.00 33.32 H new ATOM 0 HA THR A 37 1.380 -19.791 -18.446 1.00 65.11 H new ATOM 0 HB THR A 37 0.842 -21.751 -16.675 1.00 31.30 H new ATOM 0 HG1 THR A 37 1.861 -21.155 -14.650 1.00 41.14 H new ATOM 0 HG21 THR A 37 3.275 -22.021 -16.372 1.00 72.42 H new ATOM 0 HG22 THR A 37 2.865 -21.587 -18.048 1.00 72.42 H new ATOM 0 HG23 THR A 37 3.527 -20.356 -16.946 1.00 72.42 H new ATOM 592 N LYS A 38 -1.397 -19.417 -16.751 1.00 43.55 N ATOM 593 CA LYS A 38 -2.846 -19.561 -16.808 1.00 74.44 C ATOM 594 C LYS A 38 -3.525 -18.201 -16.928 1.00 41.51 C ATOM 595 O LYS A 38 -3.024 -17.199 -16.415 1.00 72.54 O ATOM 596 CB LYS A 38 -3.356 -20.289 -15.563 1.00 31.45 C ATOM 597 CG LYS A 38 -4.701 -20.966 -15.761 1.00 72.43 C ATOM 598 CD LYS A 38 -4.682 -22.402 -15.263 1.00 11.32 C ATOM 599 CE LYS A 38 -6.058 -23.043 -15.357 1.00 13.45 C ATOM 600 NZ LYS A 38 -6.756 -23.053 -14.041 1.00 52.20 N ATOM 0 H LYS A 38 -1.061 -18.845 -15.976 1.00 43.55 H new ATOM 0 HA LYS A 38 -3.092 -20.149 -17.692 1.00 74.44 H new ATOM 0 HB2 LYS A 38 -2.622 -21.038 -15.265 1.00 31.45 H new ATOM 0 HB3 LYS A 38 -3.435 -19.576 -14.743 1.00 31.45 H new ATOM 0 HG2 LYS A 38 -5.472 -20.407 -15.231 1.00 72.43 H new ATOM 0 HG3 LYS A 38 -4.965 -20.950 -16.818 1.00 72.43 H new ATOM 0 HD2 LYS A 38 -3.969 -22.982 -15.849 1.00 11.32 H new ATOM 0 HD3 LYS A 38 -4.339 -22.425 -14.229 1.00 11.32 H new ATOM 0 HE2 LYS A 38 -6.662 -22.501 -16.085 1.00 13.45 H new ATOM 0 HE3 LYS A 38 -5.958 -24.065 -15.723 1.00 13.45 H new ATOM 0 HZ1 LYS A 38 -7.690 -23.498 -14.147 1.00 52.20 H new ATOM 0 HZ2 LYS A 38 -6.192 -23.592 -13.353 1.00 52.20 H new ATOM 0 HZ3 LYS A 38 -6.874 -22.076 -13.703 1.00 52.20 H new ATOM 614 N ASP A 39 -4.667 -18.172 -17.606 1.00 43.44 N ATOM 615 CA ASP A 39 -5.415 -16.934 -17.791 1.00 13.30 C ATOM 616 C ASP A 39 -6.059 -16.488 -16.482 1.00 11.21 C ATOM 617 O ASP A 39 -6.365 -17.309 -15.618 1.00 51.42 O ATOM 618 CB ASP A 39 -6.489 -17.117 -18.865 1.00 64.01 C ATOM 619 CG ASP A 39 -7.429 -18.265 -18.554 1.00 41.20 C ATOM 620 OD1 ASP A 39 -7.988 -18.289 -17.437 1.00 44.52 O ATOM 621 OD2 ASP A 39 -7.607 -19.139 -19.428 1.00 1.23 O ATOM 0 H ASP A 39 -5.095 -18.992 -18.037 1.00 43.44 H new ATOM 0 HA ASP A 39 -4.717 -16.162 -18.114 1.00 13.30 H new ATOM 0 HB2 ASP A 39 -7.064 -16.196 -18.960 1.00 64.01 H new ATOM 0 HB3 ASP A 39 -6.010 -17.294 -19.828 1.00 64.01 H new ATOM 626 N ASN A 40 -6.261 -15.181 -16.342 1.00 63.54 N ATOM 627 CA ASN A 40 -6.867 -14.626 -15.138 1.00 4.03 C ATOM 628 C ASN A 40 -5.979 -14.868 -13.921 1.00 24.01 C ATOM 629 O ASN A 40 -6.445 -14.833 -12.783 1.00 62.20 O ATOM 630 CB ASN A 40 -8.248 -15.242 -14.906 1.00 23.13 C ATOM 631 CG ASN A 40 -9.230 -14.252 -14.311 1.00 52.41 C ATOM 632 OD1 ASN A 40 -10.237 -13.911 -14.932 1.00 12.53 O ATOM 633 ND2 ASN A 40 -8.941 -13.785 -13.102 1.00 44.52 N ATOM 0 H ASN A 40 -6.014 -14.487 -17.048 1.00 63.54 H new ATOM 0 HA ASN A 40 -6.975 -13.551 -15.279 1.00 4.03 H new ATOM 0 HB2 ASN A 40 -8.640 -15.615 -15.852 1.00 23.13 H new ATOM 0 HB3 ASN A 40 -8.153 -16.100 -14.240 1.00 23.13 H new ATOM 0 HD21 ASN A 40 -9.565 -13.116 -12.651 1.00 44.52 H new ATOM 0 HD22 ASN A 40 -8.095 -14.096 -12.624 1.00 44.52 H new ATOM 640 N ASN A 41 -4.696 -15.113 -14.170 1.00 52.33 N ATOM 641 CA ASN A 41 -3.742 -15.361 -13.095 1.00 53.53 C ATOM 642 C ASN A 41 -3.677 -14.172 -12.141 1.00 14.01 C ATOM 643 O ASN A 41 -4.488 -13.249 -12.225 1.00 2.03 O ATOM 644 CB ASN A 41 -2.354 -15.642 -13.672 1.00 45.15 C ATOM 645 CG ASN A 41 -1.745 -16.916 -13.120 1.00 20.24 C ATOM 646 OD1 ASN A 41 -1.950 -17.261 -11.956 1.00 20.03 O ATOM 647 ND2 ASN A 41 -0.991 -17.622 -13.954 1.00 74.44 N ATOM 0 H ASN A 41 -4.293 -15.145 -15.107 1.00 52.33 H new ATOM 0 HA ASN A 41 -4.080 -16.234 -12.537 1.00 53.53 H new ATOM 0 HB2 ASN A 41 -2.423 -15.716 -14.757 1.00 45.15 H new ATOM 0 HB3 ASN A 41 -1.695 -14.802 -13.451 1.00 45.15 H new ATOM 0 HD21 ASN A 41 -0.555 -18.488 -13.638 1.00 74.44 H new ATOM 0 HD22 ASN A 41 -0.848 -17.298 -14.911 1.00 74.44 H new ATOM 654 N LYS A 42 -2.707 -14.201 -11.234 1.00 20.12 N ATOM 655 CA LYS A 42 -2.533 -13.126 -10.264 1.00 32.42 C ATOM 656 C LYS A 42 -1.071 -12.700 -10.180 1.00 70.20 C ATOM 657 O LYS A 42 -0.166 -13.503 -10.409 1.00 3.12 O ATOM 658 CB LYS A 42 -3.026 -13.572 -8.885 1.00 5.41 C ATOM 659 CG LYS A 42 -4.123 -12.688 -8.316 1.00 64.23 C ATOM 660 CD LYS A 42 -5.450 -12.927 -9.016 1.00 61.51 C ATOM 661 CE LYS A 42 -5.980 -14.326 -8.742 1.00 34.32 C ATOM 662 NZ LYS A 42 -7.396 -14.302 -8.281 1.00 74.24 N ATOM 0 H LYS A 42 -2.028 -14.958 -11.150 1.00 20.12 H new ATOM 0 HA LYS A 42 -3.123 -12.272 -10.596 1.00 32.42 H new ATOM 0 HB2 LYS A 42 -3.395 -14.595 -8.954 1.00 5.41 H new ATOM 0 HB3 LYS A 42 -2.184 -13.582 -8.193 1.00 5.41 H new ATOM 0 HG2 LYS A 42 -4.233 -12.884 -7.249 1.00 64.23 H new ATOM 0 HG3 LYS A 42 -3.839 -11.641 -8.420 1.00 64.23 H new ATOM 0 HD2 LYS A 42 -6.178 -12.189 -8.680 1.00 61.51 H new ATOM 0 HD3 LYS A 42 -5.327 -12.787 -10.090 1.00 61.51 H new ATOM 0 HE2 LYS A 42 -5.903 -14.927 -9.648 1.00 34.32 H new ATOM 0 HE3 LYS A 42 -5.360 -14.808 -7.986 1.00 34.32 H new ATOM 0 HZ1 LYS A 42 -7.720 -15.274 -8.105 1.00 74.24 H new ATOM 0 HZ2 LYS A 42 -7.466 -13.749 -7.403 1.00 74.24 H new ATOM 0 HZ3 LYS A 42 -7.992 -13.865 -9.013 1.00 74.24 H new ATOM 676 N CYS A 43 -0.847 -11.433 -9.849 1.00 41.14 N ATOM 677 CA CYS A 43 0.505 -10.900 -9.734 1.00 41.20 C ATOM 678 C CYS A 43 0.644 -10.035 -8.485 1.00 11.43 C ATOM 679 O CYS A 43 -0.321 -9.828 -7.748 1.00 21.34 O ATOM 680 CB CYS A 43 0.861 -10.081 -10.977 1.00 32.33 C ATOM 681 SG CYS A 43 0.116 -10.707 -12.517 1.00 42.32 S ATOM 0 H CYS A 43 -1.585 -10.756 -9.656 1.00 41.14 H new ATOM 0 HA CYS A 43 1.194 -11.741 -9.651 1.00 41.20 H new ATOM 0 HB2 CYS A 43 0.541 -9.050 -10.824 1.00 32.33 H new ATOM 0 HB3 CYS A 43 1.945 -10.065 -11.090 1.00 32.33 H new ATOM 686 N THR A 44 1.852 -9.530 -8.252 1.00 53.33 N ATOM 687 CA THR A 44 2.118 -8.688 -7.093 1.00 0.21 C ATOM 688 C THR A 44 3.064 -7.546 -7.448 1.00 31.41 C ATOM 689 O THR A 44 4.019 -7.730 -8.203 1.00 54.13 O ATOM 690 CB THR A 44 2.726 -9.502 -5.935 1.00 51.02 C ATOM 691 OG1 THR A 44 3.005 -10.838 -6.369 1.00 53.22 O ATOM 692 CG2 THR A 44 1.781 -9.537 -4.744 1.00 32.32 C ATOM 0 H THR A 44 2.662 -9.690 -8.851 1.00 53.33 H new ATOM 0 HA THR A 44 1.160 -8.277 -6.775 1.00 0.21 H new ATOM 0 HB THR A 44 3.654 -9.019 -5.628 1.00 51.02 H new ATOM 0 HG1 THR A 44 3.393 -11.348 -5.628 1.00 53.22 H new ATOM 0 HG21 THR A 44 2.232 -10.117 -3.939 1.00 32.32 H new ATOM 0 HG22 THR A 44 1.594 -8.520 -4.398 1.00 32.32 H new ATOM 0 HG23 THR A 44 0.839 -9.998 -5.040 1.00 32.32 H new ATOM 700 N VAL A 45 2.793 -6.367 -6.898 1.00 5.13 N ATOM 701 CA VAL A 45 3.622 -5.195 -7.155 1.00 61.22 C ATOM 702 C VAL A 45 3.785 -4.350 -5.897 1.00 21.23 C ATOM 703 O VAL A 45 2.802 -3.944 -5.278 1.00 14.31 O ATOM 704 CB VAL A 45 3.025 -4.321 -8.274 1.00 5.42 C ATOM 705 CG1 VAL A 45 3.884 -3.086 -8.502 1.00 65.34 C ATOM 706 CG2 VAL A 45 2.880 -5.124 -9.557 1.00 72.13 C ATOM 0 H VAL A 45 2.006 -6.198 -6.272 1.00 5.13 H new ATOM 0 HA VAL A 45 4.599 -5.561 -7.471 1.00 61.22 H new ATOM 0 HB VAL A 45 2.033 -3.992 -7.965 1.00 5.42 H new ATOM 0 HG11 VAL A 45 3.447 -2.480 -9.296 1.00 65.34 H new ATOM 0 HG12 VAL A 45 3.931 -2.501 -7.584 1.00 65.34 H new ATOM 0 HG13 VAL A 45 4.890 -3.391 -8.790 1.00 65.34 H new ATOM 0 HG21 VAL A 45 2.457 -4.491 -10.337 1.00 72.13 H new ATOM 0 HG22 VAL A 45 3.859 -5.484 -9.874 1.00 72.13 H new ATOM 0 HG23 VAL A 45 2.220 -5.974 -9.382 1.00 72.13 H new ATOM 716 N ASP A 46 5.033 -4.089 -5.524 1.00 21.01 N ATOM 717 CA ASP A 46 5.326 -3.290 -4.339 1.00 70.44 C ATOM 718 C ASP A 46 5.791 -1.891 -4.729 1.00 43.10 C ATOM 719 O ASP A 46 6.643 -1.728 -5.603 1.00 65.52 O ATOM 720 CB ASP A 46 6.394 -3.977 -3.486 1.00 74.22 C ATOM 721 CG ASP A 46 5.883 -4.348 -2.108 1.00 31.02 C ATOM 722 OD1 ASP A 46 4.954 -5.179 -2.022 1.00 41.24 O ATOM 723 OD2 ASP A 46 6.413 -3.808 -1.114 1.00 75.13 O ATOM 0 H ASP A 46 5.858 -4.419 -6.025 1.00 21.01 H new ATOM 0 HA ASP A 46 4.410 -3.199 -3.756 1.00 70.44 H new ATOM 0 HB2 ASP A 46 6.740 -4.876 -3.996 1.00 74.22 H new ATOM 0 HB3 ASP A 46 7.255 -3.316 -3.385 1.00 74.22 H new ATOM 728 N THR A 47 5.225 -0.881 -4.075 1.00 44.03 N ATOM 729 CA THR A 47 5.580 0.505 -4.354 1.00 61.35 C ATOM 730 C THR A 47 6.829 0.919 -3.584 1.00 72.54 C ATOM 731 O THR A 47 7.474 1.913 -3.917 1.00 40.00 O ATOM 732 CB THR A 47 4.428 1.463 -3.996 1.00 24.35 C ATOM 733 OG1 THR A 47 3.277 0.714 -3.590 1.00 50.21 O ATOM 734 CG2 THR A 47 4.072 2.349 -5.180 1.00 25.32 C ATOM 0 H THR A 47 4.519 -0.997 -3.348 1.00 44.03 H new ATOM 0 HA THR A 47 5.778 0.571 -5.424 1.00 61.35 H new ATOM 0 HB THR A 47 4.756 2.099 -3.174 1.00 24.35 H new ATOM 0 HG1 THR A 47 2.550 1.330 -3.362 1.00 50.21 H new ATOM 0 HG21 THR A 47 3.256 3.017 -4.903 1.00 25.32 H new ATOM 0 HG22 THR A 47 4.942 2.939 -5.467 1.00 25.32 H new ATOM 0 HG23 THR A 47 3.762 1.727 -6.020 1.00 25.32 H new ATOM 742 N TYR A 48 7.165 0.150 -2.555 1.00 32.34 N ATOM 743 CA TYR A 48 8.336 0.438 -1.736 1.00 24.12 C ATOM 744 C TYR A 48 9.607 -0.082 -2.401 1.00 42.52 C ATOM 745 O TYR A 48 10.637 0.591 -2.407 1.00 42.04 O ATOM 746 CB TYR A 48 8.181 -0.188 -0.349 1.00 4.44 C ATOM 747 CG TYR A 48 8.801 0.635 0.759 1.00 74.30 C ATOM 748 CD1 TYR A 48 8.305 1.893 1.077 1.00 53.23 C ATOM 749 CD2 TYR A 48 9.882 0.154 1.487 1.00 71.11 C ATOM 750 CE1 TYR A 48 8.867 2.649 2.087 1.00 25.54 C ATOM 751 CE2 TYR A 48 10.450 0.901 2.500 1.00 0.51 C ATOM 752 CZ TYR A 48 9.940 2.148 2.796 1.00 14.14 C ATOM 753 OH TYR A 48 10.504 2.897 3.804 1.00 73.40 O ATOM 0 H TYR A 48 6.643 -0.678 -2.268 1.00 32.34 H new ATOM 0 HA TYR A 48 8.418 1.520 -1.632 1.00 24.12 H new ATOM 0 HB2 TYR A 48 7.121 -0.326 -0.138 1.00 4.44 H new ATOM 0 HB3 TYR A 48 8.637 -1.178 -0.353 1.00 4.44 H new ATOM 0 HD1 TYR A 48 7.465 2.287 0.524 1.00 53.23 H new ATOM 0 HD2 TYR A 48 10.285 -0.821 1.257 1.00 71.11 H new ATOM 0 HE1 TYR A 48 8.470 3.626 2.320 1.00 25.54 H new ATOM 0 HE2 TYR A 48 11.289 0.511 3.057 1.00 0.51 H new ATOM 0 HH TYR A 48 11.248 2.400 4.204 1.00 73.40 H new ATOM 763 N ASN A 49 9.525 -1.284 -2.961 1.00 71.03 N ATOM 764 CA ASN A 49 10.668 -1.895 -3.630 1.00 74.42 C ATOM 765 C ASN A 49 10.529 -1.794 -5.146 1.00 51.11 C ATOM 766 O ASN A 49 11.438 -2.162 -5.889 1.00 32.43 O ATOM 767 CB ASN A 49 10.802 -3.362 -3.216 1.00 64.23 C ATOM 768 CG ASN A 49 11.208 -3.518 -1.763 1.00 65.05 C ATOM 769 OD1 ASN A 49 11.954 -2.700 -1.225 1.00 2.03 O ATOM 770 ND2 ASN A 49 10.718 -4.573 -1.122 1.00 44.52 N ATOM 0 H ASN A 49 8.679 -1.854 -2.965 1.00 71.03 H new ATOM 0 HA ASN A 49 11.566 -1.355 -3.329 1.00 74.42 H new ATOM 0 HB2 ASN A 49 9.853 -3.872 -3.382 1.00 64.23 H new ATOM 0 HB3 ASN A 49 11.541 -3.850 -3.851 1.00 64.23 H new ATOM 0 HD21 ASN A 49 10.957 -4.731 -0.143 1.00 44.52 H new ATOM 0 HD22 ASN A 49 10.103 -5.225 -1.609 1.00 44.52 H new ATOM 777 N ASN A 50 9.385 -1.291 -5.598 1.00 14.22 N ATOM 778 CA ASN A 50 9.126 -1.140 -7.025 1.00 64.43 C ATOM 779 C ASN A 50 9.378 -2.451 -7.765 1.00 31.14 C ATOM 780 O ASN A 50 9.839 -2.453 -8.906 1.00 21.25 O ATOM 781 CB ASN A 50 10.007 -0.035 -7.610 1.00 43.33 C ATOM 782 CG ASN A 50 9.246 0.868 -8.563 1.00 24.45 C ATOM 783 OD1 ASN A 50 9.472 0.843 -9.772 1.00 45.35 O ATOM 784 ND2 ASN A 50 8.339 1.670 -8.019 1.00 12.12 N ATOM 0 H ASN A 50 8.622 -0.981 -4.996 1.00 14.22 H new ATOM 0 HA ASN A 50 8.079 -0.866 -7.152 1.00 64.43 H new ATOM 0 HB2 ASN A 50 10.421 0.564 -6.799 1.00 43.33 H new ATOM 0 HB3 ASN A 50 10.849 -0.485 -8.135 1.00 43.33 H new ATOM 0 HD21 ASN A 50 7.796 2.300 -8.609 1.00 12.12 H new ATOM 0 HD22 ASN A 50 8.185 1.656 -7.011 1.00 12.12 H new ATOM 791 N ALA A 51 9.071 -3.564 -7.106 1.00 52.12 N ATOM 792 CA ALA A 51 9.261 -4.881 -7.701 1.00 52.24 C ATOM 793 C ALA A 51 7.927 -5.493 -8.116 1.00 63.24 C ATOM 794 O ALA A 51 6.900 -5.257 -7.481 1.00 54.22 O ATOM 795 CB ALA A 51 9.986 -5.800 -6.729 1.00 41.44 C ATOM 0 H ALA A 51 8.690 -3.579 -6.160 1.00 52.12 H new ATOM 0 HA ALA A 51 9.872 -4.763 -8.596 1.00 52.24 H new ATOM 0 HB1 ALA A 51 10.121 -6.780 -7.187 1.00 41.44 H new ATOM 0 HB2 ALA A 51 10.960 -5.376 -6.485 1.00 41.44 H new ATOM 0 HB3 ALA A 51 9.397 -5.903 -5.818 1.00 41.44 H new ATOM 801 N VAL A 52 7.951 -6.281 -9.187 1.00 32.02 N ATOM 802 CA VAL A 52 6.743 -6.928 -9.687 1.00 4.15 C ATOM 803 C VAL A 52 6.948 -8.431 -9.838 1.00 32.12 C ATOM 804 O VAL A 52 8.031 -8.887 -10.204 1.00 41.11 O ATOM 805 CB VAL A 52 6.313 -6.340 -11.044 1.00 35.45 C ATOM 806 CG1 VAL A 52 5.050 -7.025 -11.545 1.00 41.32 C ATOM 807 CG2 VAL A 52 6.106 -4.837 -10.931 1.00 74.53 C ATOM 0 H VAL A 52 8.793 -6.487 -9.725 1.00 32.02 H new ATOM 0 HA VAL A 52 5.957 -6.743 -8.954 1.00 4.15 H new ATOM 0 HB VAL A 52 7.107 -6.520 -11.768 1.00 35.45 H new ATOM 0 HG11 VAL A 52 4.760 -6.597 -12.505 1.00 41.32 H new ATOM 0 HG12 VAL A 52 5.238 -8.092 -11.665 1.00 41.32 H new ATOM 0 HG13 VAL A 52 4.246 -6.877 -10.824 1.00 41.32 H new ATOM 0 HG21 VAL A 52 5.803 -4.438 -11.899 1.00 74.53 H new ATOM 0 HG22 VAL A 52 5.330 -4.631 -10.194 1.00 74.53 H new ATOM 0 HG23 VAL A 52 7.037 -4.364 -10.619 1.00 74.53 H new ATOM 817 N ASP A 53 5.900 -9.196 -9.554 1.00 33.42 N ATOM 818 CA ASP A 53 5.963 -10.649 -9.660 1.00 20.53 C ATOM 819 C ASP A 53 4.690 -11.204 -10.292 1.00 64.21 C ATOM 820 O ASP A 53 3.588 -10.982 -9.791 1.00 54.12 O ATOM 821 CB ASP A 53 6.176 -11.274 -8.280 1.00 13.12 C ATOM 822 CG ASP A 53 7.130 -12.452 -8.318 1.00 54.31 C ATOM 823 OD1 ASP A 53 6.731 -13.521 -8.825 1.00 43.12 O ATOM 824 OD2 ASP A 53 8.274 -12.304 -7.840 1.00 61.41 O ATOM 0 H ASP A 53 4.997 -8.834 -9.249 1.00 33.42 H new ATOM 0 HA ASP A 53 6.807 -10.905 -10.301 1.00 20.53 H new ATOM 0 HB2 ASP A 53 6.564 -10.518 -7.598 1.00 13.12 H new ATOM 0 HB3 ASP A 53 5.216 -11.601 -7.880 1.00 13.12 H new ATOM 829 N CYS A 54 4.851 -11.926 -11.396 1.00 35.20 N ATOM 830 CA CYS A 54 3.715 -12.512 -12.099 1.00 3.13 C ATOM 831 C CYS A 54 3.603 -14.004 -11.802 1.00 31.43 C ATOM 832 O CYS A 54 4.605 -14.719 -11.773 1.00 32.41 O ATOM 833 CB CYS A 54 3.852 -12.290 -13.606 1.00 41.52 C ATOM 834 SG CYS A 54 4.377 -10.606 -14.065 1.00 33.40 S ATOM 0 H CYS A 54 5.757 -12.119 -11.823 1.00 35.20 H new ATOM 0 HA CYS A 54 2.808 -12.020 -11.747 1.00 3.13 H new ATOM 0 HB2 CYS A 54 4.572 -13.005 -14.004 1.00 41.52 H new ATOM 0 HB3 CYS A 54 2.895 -12.503 -14.082 1.00 41.52 H new ATOM 839 N ASP A 55 2.377 -14.467 -11.582 1.00 23.41 N ATOM 840 CA ASP A 55 2.133 -15.875 -11.288 1.00 52.24 C ATOM 841 C ASP A 55 2.788 -16.770 -12.335 1.00 42.04 C ATOM 842 O ASP A 55 2.833 -17.991 -12.181 1.00 65.35 O ATOM 843 CB ASP A 55 0.630 -16.152 -11.231 1.00 32.21 C ATOM 844 CG ASP A 55 0.110 -16.234 -9.809 1.00 62.21 C ATOM 845 OD1 ASP A 55 0.852 -16.727 -8.933 1.00 41.13 O ATOM 846 OD2 ASP A 55 -1.038 -15.805 -9.572 1.00 10.12 O ATOM 0 H ASP A 55 1.537 -13.888 -11.602 1.00 23.41 H new ATOM 0 HA ASP A 55 2.574 -16.100 -10.317 1.00 52.24 H new ATOM 0 HB2 ASP A 55 0.098 -15.364 -11.765 1.00 32.21 H new ATOM 0 HB3 ASP A 55 0.416 -17.088 -11.748 1.00 32.21 H new