USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 420 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 26 SER OG : rot 180:sc= -1.08 USER MOD Set 1.2: A 28 LYS NZ :NH3+ 160:sc= 0.033 (180deg=0.00137) USER MOD Set 2.1: A 21 TYR OH : rot 65:sc= 1.32 USER MOD Set 2.2: A 22 TYR OH : rot -105:sc= 0.108 USER MOD Set 2.3: A 41 SER OG : rot -38:sc= 0.13 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 147:sc= -0.207 (180deg=-1.11) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -3.99 K(o=-4,f=-5.9!) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0884 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 24:sc= 0.484 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.868 K(o=-0.87,f=-4.2!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -165:sc= -0.585 USER MOD Single : A 40 ASN : amide:sc= -0.265 X(o=-0.27,f=-0.27) USER MOD Single : A 42 ASN : amide:sc= -0.623 K(o=-0.62,f=-3.6!) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.158 F(o=-2.1,f=-0.16) USER MOD Single : A 46 THR OG1 : rot -92:sc= 1.19 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -2.496 -2.062 -1.665 1.00 60.13 N ATOM 2 CA LYS A 1 -1.218 -1.715 -2.276 1.00 31.40 C ATOM 3 C LYS A 1 -1.307 -1.780 -3.797 1.00 62.44 C ATOM 4 O LYS A 1 -0.538 -2.492 -4.445 1.00 11.32 O ATOM 5 CB LYS A 1 -0.119 -2.657 -1.778 1.00 13.11 C ATOM 6 CG LYS A 1 1.278 -2.238 -2.201 1.00 22.15 C ATOM 7 CD LYS A 1 2.327 -2.718 -1.212 1.00 22.34 C ATOM 8 CE LYS A 1 3.363 -3.605 -1.885 1.00 22.41 C ATOM 9 NZ LYS A 1 4.408 -4.063 -0.928 1.00 3.54 N ATOM 0 H1 LYS A 1 -2.411 -2.011 -0.630 1.00 60.13 H new ATOM 0 H2 LYS A 1 -3.227 -1.395 -1.986 1.00 60.13 H new ATOM 0 H3 LYS A 1 -2.763 -3.028 -1.943 1.00 60.13 H new ATOM 0 HA LYS A 1 -0.971 -0.693 -1.987 1.00 31.40 H new ATOM 0 HB2 LYS A 1 -0.160 -2.707 -0.690 1.00 13.11 H new ATOM 0 HB3 LYS A 1 -0.317 -3.662 -2.151 1.00 13.11 H new ATOM 0 HG2 LYS A 1 1.497 -2.642 -3.189 1.00 22.15 H new ATOM 0 HG3 LYS A 1 1.324 -1.152 -2.283 1.00 22.15 H new ATOM 0 HD2 LYS A 1 2.821 -1.859 -0.759 1.00 22.34 H new ATOM 0 HD3 LYS A 1 1.843 -3.269 -0.406 1.00 22.34 H new ATOM 0 HE2 LYS A 1 2.869 -4.471 -2.325 1.00 22.41 H new ATOM 0 HE3 LYS A 1 3.834 -3.058 -2.702 1.00 22.41 H new ATOM 0 HZ1 LYS A 1 5.095 -4.665 -1.426 1.00 3.54 H new ATOM 0 HZ2 LYS A 1 4.897 -3.238 -0.527 1.00 3.54 H new ATOM 0 HZ3 LYS A 1 3.963 -4.607 -0.162 1.00 3.54 H new ATOM 23 N LYS A 2 -2.248 -1.033 -4.363 1.00 51.51 N ATOM 24 CA LYS A 2 -2.436 -1.002 -5.809 1.00 31.33 C ATOM 25 C LYS A 2 -1.312 -0.226 -6.487 1.00 62.34 C ATOM 26 O LYS A 2 -1.201 -0.218 -7.714 1.00 30.44 O ATOM 27 CB LYS A 2 -3.787 -0.372 -6.155 1.00 2.30 C ATOM 28 CG LYS A 2 -4.194 -0.564 -7.606 1.00 22.14 C ATOM 29 CD LYS A 2 -5.331 -1.563 -7.738 1.00 15.42 C ATOM 30 CE LYS A 2 -4.937 -2.931 -7.205 1.00 24.32 C ATOM 31 NZ LYS A 2 -5.496 -3.180 -5.847 1.00 60.43 N ATOM 0 H LYS A 2 -2.894 -0.440 -3.842 1.00 51.51 H new ATOM 0 HA LYS A 2 -2.417 -2.029 -6.175 1.00 31.33 H new ATOM 0 HB2 LYS A 2 -4.554 -0.802 -5.511 1.00 2.30 H new ATOM 0 HB3 LYS A 2 -3.748 0.695 -5.936 1.00 2.30 H new ATOM 0 HG2 LYS A 2 -4.498 0.393 -8.029 1.00 22.14 H new ATOM 0 HG3 LYS A 2 -3.336 -0.909 -8.183 1.00 22.14 H new ATOM 0 HD2 LYS A 2 -6.203 -1.197 -7.195 1.00 15.42 H new ATOM 0 HD3 LYS A 2 -5.621 -1.649 -8.785 1.00 15.42 H new ATOM 0 HE2 LYS A 2 -5.289 -3.703 -7.890 1.00 24.32 H new ATOM 0 HE3 LYS A 2 -3.850 -3.008 -7.170 1.00 24.32 H new ATOM 0 HZ1 LYS A 2 -5.711 -4.192 -5.740 1.00 60.43 H new ATOM 0 HZ2 LYS A 2 -4.800 -2.896 -5.128 1.00 60.43 H new ATOM 0 HZ3 LYS A 2 -6.367 -2.626 -5.723 1.00 60.43 H new ATOM 45 N LYS A 3 -0.479 0.424 -5.683 1.00 4.44 N ATOM 46 CA LYS A 3 0.639 1.201 -6.204 1.00 44.45 C ATOM 47 C LYS A 3 1.550 0.333 -7.067 1.00 52.20 C ATOM 48 O LYS A 3 2.121 0.802 -8.052 1.00 0.10 O ATOM 49 CB LYS A 3 1.442 1.815 -5.055 1.00 34.13 C ATOM 50 CG LYS A 3 0.817 3.075 -4.482 1.00 12.24 C ATOM 51 CD LYS A 3 1.766 4.258 -4.571 1.00 52.53 C ATOM 52 CE LYS A 3 1.128 5.527 -4.026 1.00 0.01 C ATOM 53 NZ LYS A 3 2.042 6.698 -4.134 1.00 54.04 N ATOM 0 H LYS A 3 -0.557 0.428 -4.666 1.00 4.44 H new ATOM 0 HA LYS A 3 0.234 2.001 -6.824 1.00 44.45 H new ATOM 0 HB2 LYS A 3 1.545 1.077 -4.260 1.00 34.13 H new ATOM 0 HB3 LYS A 3 2.447 2.046 -5.408 1.00 34.13 H new ATOM 0 HG2 LYS A 3 -0.102 3.304 -5.021 1.00 12.24 H new ATOM 0 HG3 LYS A 3 0.542 2.905 -3.441 1.00 12.24 H new ATOM 0 HD2 LYS A 3 2.676 4.038 -4.013 1.00 52.53 H new ATOM 0 HD3 LYS A 3 2.059 4.414 -5.609 1.00 52.53 H new ATOM 0 HE2 LYS A 3 0.207 5.734 -4.571 1.00 0.01 H new ATOM 0 HE3 LYS A 3 0.853 5.376 -2.982 1.00 0.01 H new ATOM 0 HZ1 LYS A 3 1.571 7.543 -3.752 1.00 54.04 H new ATOM 0 HZ2 LYS A 3 2.910 6.512 -3.593 1.00 54.04 H new ATOM 0 HZ3 LYS A 3 2.284 6.858 -5.133 1.00 54.04 H new ATOM 67 N CYS A 4 1.680 -0.935 -6.692 1.00 12.13 N ATOM 68 CA CYS A 4 2.520 -1.869 -7.431 1.00 34.50 C ATOM 69 C CYS A 4 1.920 -2.174 -8.801 1.00 13.43 C ATOM 70 O CYS A 4 2.566 -2.788 -9.649 1.00 52.21 O ATOM 71 CB CYS A 4 2.694 -3.167 -6.639 1.00 44.21 C ATOM 72 SG CYS A 4 4.070 -4.212 -7.218 1.00 55.13 S ATOM 0 H CYS A 4 1.214 -1.339 -5.880 1.00 12.13 H new ATOM 0 HA CYS A 4 3.496 -1.405 -7.576 1.00 34.50 H new ATOM 0 HB2 CYS A 4 2.855 -2.921 -5.589 1.00 44.21 H new ATOM 0 HB3 CYS A 4 1.769 -3.740 -6.693 1.00 44.21 H new ATOM 77 N GLN A 5 0.681 -1.739 -9.008 1.00 12.14 N ATOM 78 CA GLN A 5 -0.006 -1.965 -10.274 1.00 31.23 C ATOM 79 C GLN A 5 -0.778 -0.722 -10.704 1.00 61.10 C ATOM 80 O GLN A 5 -1.883 -0.467 -10.223 1.00 70.24 O ATOM 81 CB GLN A 5 -0.959 -3.156 -10.156 1.00 21.14 C ATOM 82 CG GLN A 5 -1.466 -3.392 -8.742 1.00 1.40 C ATOM 83 CD GLN A 5 -2.538 -4.461 -8.677 1.00 74.13 C ATOM 84 OE1 GLN A 5 -3.568 -4.366 -9.346 1.00 44.34 O ATOM 85 NE2 GLN A 5 -2.303 -5.488 -7.869 1.00 63.11 N ATOM 0 H GLN A 5 0.133 -1.228 -8.316 1.00 12.14 H new ATOM 0 HA GLN A 5 0.746 -2.184 -11.032 1.00 31.23 H new ATOM 0 HB2 GLN A 5 -1.811 -2.996 -10.817 1.00 21.14 H new ATOM 0 HB3 GLN A 5 -0.450 -4.054 -10.505 1.00 21.14 H new ATOM 0 HG2 GLN A 5 -0.631 -3.681 -8.104 1.00 1.40 H new ATOM 0 HG3 GLN A 5 -1.864 -2.459 -8.342 1.00 1.40 H new ATOM 0 HE21 GLN A 5 -1.436 -5.527 -7.333 1.00 63.11 H new ATOM 0 HE22 GLN A 5 -2.989 -6.238 -7.785 1.00 63.11 H new ATOM 94 N LEU A 6 -0.189 0.049 -11.612 1.00 33.23 N ATOM 95 CA LEU A 6 -0.822 1.267 -12.107 1.00 65.42 C ATOM 96 C LEU A 6 -1.023 1.200 -13.618 1.00 22.23 C ATOM 97 O LEU A 6 -0.265 0.553 -14.342 1.00 13.34 O ATOM 98 CB LEU A 6 0.027 2.488 -11.748 1.00 33.33 C ATOM 99 CG LEU A 6 -0.269 3.135 -10.394 1.00 44.24 C ATOM 100 CD1 LEU A 6 -1.299 4.243 -10.546 1.00 54.02 C ATOM 101 CD2 LEU A 6 -0.748 2.091 -9.397 1.00 32.02 C ATOM 0 H LEU A 6 0.725 -0.147 -12.020 1.00 33.23 H new ATOM 0 HA LEU A 6 -1.799 1.359 -11.632 1.00 65.42 H new ATOM 0 HB2 LEU A 6 1.077 2.194 -11.766 1.00 33.33 H new ATOM 0 HB3 LEU A 6 -0.107 3.240 -12.525 1.00 33.33 H new ATOM 0 HG LEU A 6 0.653 3.574 -10.013 1.00 44.24 H new ATOM 0 HD11 LEU A 6 -1.497 4.692 -9.573 1.00 54.02 H new ATOM 0 HD12 LEU A 6 -0.917 5.005 -11.226 1.00 54.02 H new ATOM 0 HD13 LEU A 6 -2.223 3.828 -10.949 1.00 54.02 H new ATOM 0 HD21 LEU A 6 -0.954 2.570 -8.440 1.00 32.02 H new ATOM 0 HD22 LEU A 6 -1.658 1.621 -9.771 1.00 32.02 H new ATOM 0 HD23 LEU A 6 0.024 1.333 -9.265 1.00 32.02 H new ATOM 113 N PRO A 7 -2.067 1.885 -14.107 1.00 1.23 N ATOM 114 CA PRO A 7 -2.390 1.922 -15.536 1.00 35.30 C ATOM 115 C PRO A 7 -1.367 2.714 -16.342 1.00 11.40 C ATOM 116 O PRO A 7 -0.754 3.652 -15.833 1.00 3.41 O ATOM 117 CB PRO A 7 -3.754 2.616 -15.573 1.00 73.23 C ATOM 118 CG PRO A 7 -3.793 3.443 -14.335 1.00 25.33 C ATOM 119 CD PRO A 7 -3.012 2.678 -13.302 1.00 25.00 C ATOM 0 HA PRO A 7 -2.391 0.926 -15.980 1.00 35.30 H new ATOM 0 HB2 PRO A 7 -3.860 3.234 -16.465 1.00 73.23 H new ATOM 0 HB3 PRO A 7 -4.567 1.890 -15.590 1.00 73.23 H new ATOM 0 HG2 PRO A 7 -3.354 4.425 -14.508 1.00 25.33 H new ATOM 0 HG3 PRO A 7 -4.819 3.606 -14.007 1.00 25.33 H new ATOM 0 HD2 PRO A 7 -2.493 3.346 -12.615 1.00 25.00 H new ATOM 0 HD3 PRO A 7 -3.659 2.041 -12.699 1.00 25.00 H new ATOM 127 N SER A 8 -1.188 2.332 -17.602 1.00 72.42 N ATOM 128 CA SER A 8 -0.236 3.005 -18.478 1.00 13.11 C ATOM 129 C SER A 8 -0.864 4.242 -19.113 1.00 4.52 C ATOM 130 O SER A 8 -1.987 4.195 -19.614 1.00 31.22 O ATOM 131 CB SER A 8 0.250 2.049 -19.569 1.00 0.12 C ATOM 132 OG SER A 8 -0.447 0.816 -19.514 1.00 44.22 O ATOM 0 H SER A 8 -1.690 1.559 -18.040 1.00 72.42 H new ATOM 0 HA SER A 8 0.616 3.319 -17.875 1.00 13.11 H new ATOM 0 HB2 SER A 8 0.108 2.507 -20.548 1.00 0.12 H new ATOM 0 HB3 SER A 8 1.319 1.872 -19.452 1.00 0.12 H new ATOM 0 HG SER A 8 -0.119 0.223 -20.222 1.00 44.22 H new ATOM 138 N ASP A 9 -0.129 5.349 -19.087 1.00 52.15 N ATOM 139 CA ASP A 9 -0.612 6.600 -19.661 1.00 44.11 C ATOM 140 C ASP A 9 0.478 7.273 -20.490 1.00 55.35 C ATOM 141 O ASP A 9 1.386 7.902 -19.948 1.00 3.01 O ATOM 142 CB ASP A 9 -1.084 7.544 -18.555 1.00 14.43 C ATOM 143 CG ASP A 9 -2.587 7.502 -18.360 1.00 32.40 C ATOM 144 OD1 ASP A 9 -3.107 6.429 -17.985 1.00 50.42 O ATOM 145 OD2 ASP A 9 -3.244 8.540 -18.581 1.00 44.45 O ATOM 0 H ASP A 9 0.802 5.405 -18.675 1.00 52.15 H new ATOM 0 HA ASP A 9 -1.453 6.371 -20.316 1.00 44.11 H new ATOM 0 HB2 ASP A 9 -0.592 7.278 -17.620 1.00 14.43 H new ATOM 0 HB3 ASP A 9 -0.780 8.563 -18.797 1.00 14.43 H new ATOM 150 N VAL A 10 0.380 7.136 -21.809 1.00 40.11 N ATOM 151 CA VAL A 10 1.357 7.731 -22.714 1.00 35.32 C ATOM 152 C VAL A 10 1.553 9.213 -22.414 1.00 33.52 C ATOM 153 O VAL A 10 2.632 9.763 -22.628 1.00 61.50 O ATOM 154 CB VAL A 10 0.931 7.568 -24.185 1.00 55.00 C ATOM 155 CG1 VAL A 10 -0.224 8.503 -24.513 1.00 63.33 C ATOM 156 CG2 VAL A 10 2.111 7.819 -25.112 1.00 35.22 C ATOM 0 H VAL A 10 -0.366 6.618 -22.274 1.00 40.11 H new ATOM 0 HA VAL A 10 2.298 7.204 -22.555 1.00 35.32 H new ATOM 0 HB VAL A 10 0.592 6.543 -24.336 1.00 55.00 H new ATOM 0 HG11 VAL A 10 -0.512 8.374 -25.556 1.00 63.33 H new ATOM 0 HG12 VAL A 10 -1.074 8.271 -23.871 1.00 63.33 H new ATOM 0 HG13 VAL A 10 0.085 9.535 -24.347 1.00 63.33 H new ATOM 0 HG21 VAL A 10 1.792 7.700 -26.147 1.00 35.22 H new ATOM 0 HG22 VAL A 10 2.483 8.832 -24.961 1.00 35.22 H new ATOM 0 HG23 VAL A 10 2.905 7.105 -24.892 1.00 35.22 H new ATOM 166 N GLY A 11 0.500 9.854 -21.916 1.00 1.45 N ATOM 167 CA GLY A 11 0.577 11.267 -21.593 1.00 41.34 C ATOM 168 C GLY A 11 0.850 12.126 -22.812 1.00 70.15 C ATOM 169 O GLY A 11 0.742 11.660 -23.947 1.00 33.42 O ATOM 0 H GLY A 11 -0.404 9.420 -21.731 1.00 1.45 H new ATOM 0 HA2 GLY A 11 -0.359 11.583 -21.132 1.00 41.34 H new ATOM 0 HA3 GLY A 11 1.365 11.426 -20.856 1.00 41.34 H new ATOM 173 N LYS A 12 1.204 13.385 -22.580 1.00 15.40 N ATOM 174 CA LYS A 12 1.492 14.313 -23.667 1.00 65.35 C ATOM 175 C LYS A 12 2.869 14.945 -23.492 1.00 2.33 C ATOM 176 O LYS A 12 3.591 14.631 -22.547 1.00 3.24 O ATOM 177 CB LYS A 12 0.422 15.405 -23.732 1.00 62.41 C ATOM 178 CG LYS A 12 -0.082 15.844 -22.368 1.00 61.42 C ATOM 179 CD LYS A 12 -1.417 15.200 -22.033 1.00 62.43 C ATOM 180 CE LYS A 12 -1.939 15.669 -20.684 1.00 52.11 C ATOM 181 NZ LYS A 12 -1.829 14.607 -19.647 1.00 34.45 N ATOM 0 H LYS A 12 1.299 13.787 -21.647 1.00 15.40 H new ATOM 0 HA LYS A 12 1.485 13.752 -24.601 1.00 65.35 H new ATOM 0 HB2 LYS A 12 0.829 16.270 -24.255 1.00 62.41 H new ATOM 0 HB3 LYS A 12 -0.420 15.043 -24.322 1.00 62.41 H new ATOM 0 HG2 LYS A 12 0.651 15.580 -21.606 1.00 61.42 H new ATOM 0 HG3 LYS A 12 -0.185 16.929 -22.349 1.00 61.42 H new ATOM 0 HD2 LYS A 12 -2.143 15.441 -22.809 1.00 62.43 H new ATOM 0 HD3 LYS A 12 -1.307 14.116 -22.025 1.00 62.43 H new ATOM 0 HE2 LYS A 12 -1.380 16.548 -20.364 1.00 52.11 H new ATOM 0 HE3 LYS A 12 -2.981 15.973 -20.784 1.00 52.11 H new ATOM 0 HZ1 LYS A 12 -2.195 14.966 -18.742 1.00 34.45 H new ATOM 0 HZ2 LYS A 12 -2.383 13.777 -19.940 1.00 34.45 H new ATOM 0 HZ3 LYS A 12 -0.832 14.335 -19.533 1.00 34.45 H new ATOM 195 N GLY A 13 3.226 15.840 -24.408 1.00 40.14 N ATOM 196 CA GLY A 13 4.515 16.504 -24.335 1.00 74.53 C ATOM 197 C GLY A 13 5.333 16.321 -25.598 1.00 23.22 C ATOM 198 O GLY A 13 4.994 15.504 -26.455 1.00 13.43 O ATOM 0 H GLY A 13 2.646 16.117 -25.200 1.00 40.14 H new ATOM 0 HA2 GLY A 13 4.363 17.568 -24.155 1.00 74.53 H new ATOM 0 HA3 GLY A 13 5.074 16.114 -23.484 1.00 74.53 H new ATOM 202 N LYS A 14 6.415 17.084 -25.715 1.00 72.34 N ATOM 203 CA LYS A 14 7.285 17.003 -26.882 1.00 41.54 C ATOM 204 C LYS A 14 8.455 16.059 -26.625 1.00 1.32 C ATOM 205 O LYS A 14 9.511 16.180 -27.245 1.00 52.45 O ATOM 206 CB LYS A 14 7.809 18.394 -27.250 1.00 22.51 C ATOM 207 CG LYS A 14 6.736 19.327 -27.781 1.00 55.51 C ATOM 208 CD LYS A 14 6.015 20.047 -26.654 1.00 0.45 C ATOM 209 CE LYS A 14 5.126 21.163 -27.182 1.00 61.54 C ATOM 210 NZ LYS A 14 3.705 20.731 -27.299 1.00 5.42 N ATOM 0 H LYS A 14 6.710 17.765 -25.016 1.00 72.34 H new ATOM 0 HA LYS A 14 6.700 16.609 -27.713 1.00 41.54 H new ATOM 0 HB2 LYS A 14 8.268 18.845 -26.370 1.00 22.51 H new ATOM 0 HB3 LYS A 14 8.593 18.291 -28.000 1.00 22.51 H new ATOM 0 HG2 LYS A 14 7.188 20.059 -28.451 1.00 55.51 H new ATOM 0 HG3 LYS A 14 6.016 18.758 -28.369 1.00 55.51 H new ATOM 0 HD2 LYS A 14 5.411 19.334 -26.093 1.00 0.45 H new ATOM 0 HD3 LYS A 14 6.746 20.461 -25.959 1.00 0.45 H new ATOM 0 HE2 LYS A 14 5.190 22.024 -26.517 1.00 61.54 H new ATOM 0 HE3 LYS A 14 5.489 21.486 -28.158 1.00 61.54 H new ATOM 0 HZ1 LYS A 14 3.131 21.519 -27.662 1.00 5.42 H new ATOM 0 HZ2 LYS A 14 3.640 19.925 -27.953 1.00 5.42 H new ATOM 0 HZ3 LYS A 14 3.350 20.447 -26.364 1.00 5.42 H new ATOM 224 N ALA A 15 8.259 15.119 -25.707 1.00 23.43 N ATOM 225 CA ALA A 15 9.297 14.152 -25.370 1.00 61.12 C ATOM 226 C ALA A 15 8.838 12.728 -25.667 1.00 42.31 C ATOM 227 O ALA A 15 7.755 12.516 -26.213 1.00 23.04 O ATOM 228 CB ALA A 15 9.690 14.287 -23.906 1.00 50.35 C ATOM 0 H ALA A 15 7.391 15.006 -25.183 1.00 23.43 H new ATOM 0 HA ALA A 15 10.169 14.362 -25.990 1.00 61.12 H new ATOM 0 HB1 ALA A 15 10.466 13.559 -23.669 1.00 50.35 H new ATOM 0 HB2 ALA A 15 10.068 15.293 -23.722 1.00 50.35 H new ATOM 0 HB3 ALA A 15 8.818 14.106 -23.277 1.00 50.35 H new ATOM 234 N SER A 16 9.669 11.756 -25.305 1.00 63.04 N ATOM 235 CA SER A 16 9.350 10.352 -25.538 1.00 5.15 C ATOM 236 C SER A 16 10.355 9.444 -24.835 1.00 61.44 C ATOM 237 O SER A 16 11.065 8.670 -25.478 1.00 73.42 O ATOM 238 CB SER A 16 9.336 10.052 -27.038 1.00 33.14 C ATOM 239 OG SER A 16 8.427 9.007 -27.340 1.00 24.14 O ATOM 0 H SER A 16 10.568 11.915 -24.849 1.00 63.04 H new ATOM 0 HA SER A 16 8.360 10.156 -25.127 1.00 5.15 H new ATOM 0 HB2 SER A 16 9.059 10.950 -27.589 1.00 33.14 H new ATOM 0 HB3 SER A 16 10.337 9.773 -27.366 1.00 33.14 H new ATOM 0 HG SER A 16 8.435 8.835 -28.305 1.00 24.14 H new ATOM 245 N PHE A 17 10.410 9.544 -23.511 1.00 54.14 N ATOM 246 CA PHE A 17 11.328 8.733 -22.720 1.00 75.13 C ATOM 247 C PHE A 17 10.656 7.441 -22.263 1.00 41.13 C ATOM 248 O PHE A 17 9.434 7.378 -22.122 1.00 43.32 O ATOM 249 CB PHE A 17 11.821 9.522 -21.506 1.00 24.53 C ATOM 250 CG PHE A 17 13.121 9.014 -20.949 1.00 72.22 C ATOM 251 CD1 PHE A 17 13.138 7.980 -20.027 1.00 73.41 C ATOM 252 CD2 PHE A 17 14.325 9.570 -21.348 1.00 42.14 C ATOM 253 CE1 PHE A 17 14.332 7.511 -19.513 1.00 10.10 C ATOM 254 CE2 PHE A 17 15.523 9.105 -20.838 1.00 12.40 C ATOM 255 CZ PHE A 17 15.526 8.074 -19.920 1.00 20.22 C ATOM 0 H PHE A 17 9.829 10.179 -22.963 1.00 54.14 H new ATOM 0 HA PHE A 17 12.181 8.476 -23.348 1.00 75.13 H new ATOM 0 HB2 PHE A 17 11.939 10.569 -21.786 1.00 24.53 H new ATOM 0 HB3 PHE A 17 11.061 9.485 -20.725 1.00 24.53 H new ATOM 0 HD1 PHE A 17 12.207 7.535 -19.706 1.00 73.41 H new ATOM 0 HD2 PHE A 17 14.328 10.377 -22.066 1.00 42.14 H new ATOM 0 HE1 PHE A 17 14.332 6.705 -18.794 1.00 10.10 H new ATOM 0 HE2 PHE A 17 16.455 9.548 -21.157 1.00 12.40 H new ATOM 0 HZ PHE A 17 16.460 7.708 -19.521 1.00 20.22 H new ATOM 265 N THR A 18 11.464 6.410 -22.034 1.00 11.43 N ATOM 266 CA THR A 18 10.950 5.119 -21.595 1.00 13.34 C ATOM 267 C THR A 18 11.294 4.859 -20.133 1.00 21.43 C ATOM 268 O THR A 18 12.415 5.117 -19.694 1.00 12.23 O ATOM 269 CB THR A 18 11.508 3.970 -22.455 1.00 5.13 C ATOM 270 OG1 THR A 18 10.829 2.749 -22.142 1.00 53.14 O ATOM 271 CG2 THR A 18 13.002 3.798 -22.224 1.00 2.22 C ATOM 0 H THR A 18 12.477 6.445 -22.145 1.00 11.43 H new ATOM 0 HA THR A 18 9.867 5.155 -21.709 1.00 13.34 H new ATOM 0 HB THR A 18 11.344 4.218 -23.504 1.00 5.13 H new ATOM 0 HG1 THR A 18 9.951 2.952 -21.758 1.00 53.14 H new ATOM 0 HG21 THR A 18 13.374 2.981 -22.842 1.00 2.22 H new ATOM 0 HG22 THR A 18 13.520 4.719 -22.491 1.00 2.22 H new ATOM 0 HG23 THR A 18 13.184 3.570 -21.174 1.00 2.22 H new ATOM 279 N ARG A 19 10.324 4.345 -19.384 1.00 21.43 N ATOM 280 CA ARG A 19 10.525 4.049 -17.970 1.00 43.42 C ATOM 281 C ARG A 19 10.369 2.556 -17.699 1.00 71.11 C ATOM 282 O ARG A 19 10.104 1.773 -18.612 1.00 43.31 O ATOM 283 CB ARG A 19 9.533 4.840 -17.116 1.00 1.42 C ATOM 284 CG ARG A 19 9.731 6.346 -17.189 1.00 73.43 C ATOM 285 CD ARG A 19 11.148 6.741 -16.805 1.00 32.14 C ATOM 286 NE ARG A 19 11.211 8.097 -16.265 1.00 75.33 N ATOM 287 CZ ARG A 19 11.002 9.188 -16.994 1.00 21.32 C ATOM 288 NH1 ARG A 19 10.719 9.083 -18.285 1.00 35.33 N ATOM 289 NH2 ARG A 19 11.077 10.387 -16.431 1.00 14.01 N ATOM 0 H ARG A 19 9.391 4.125 -19.732 1.00 21.43 H new ATOM 0 HA ARG A 19 11.540 4.344 -17.703 1.00 43.42 H new ATOM 0 HB2 ARG A 19 8.519 4.600 -17.436 1.00 1.42 H new ATOM 0 HB3 ARG A 19 9.624 4.520 -16.078 1.00 1.42 H new ATOM 0 HG2 ARG A 19 9.516 6.694 -18.200 1.00 73.43 H new ATOM 0 HG3 ARG A 19 9.022 6.840 -16.525 1.00 73.43 H new ATOM 0 HD2 ARG A 19 11.533 6.038 -16.066 1.00 32.14 H new ATOM 0 HD3 ARG A 19 11.794 6.669 -17.680 1.00 32.14 H new ATOM 0 HE ARG A 19 11.427 8.212 -15.275 1.00 75.33 H new ATOM 0 HH11 ARG A 19 10.661 8.163 -18.721 1.00 35.33 H new ATOM 0 HH12 ARG A 19 10.559 9.922 -18.842 1.00 35.33 H new ATOM 0 HH21 ARG A 19 11.295 10.471 -15.438 1.00 14.01 H new ATOM 0 HH22 ARG A 19 10.917 11.224 -16.991 1.00 14.01 H new ATOM 303 N TYR A 20 10.535 2.168 -16.440 1.00 14.25 N ATOM 304 CA TYR A 20 10.415 0.769 -16.049 1.00 32.44 C ATOM 305 C TYR A 20 9.930 0.645 -14.607 1.00 44.12 C ATOM 306 O TYR A 20 10.417 1.340 -13.715 1.00 1.01 O ATOM 307 CB TYR A 20 11.758 0.056 -16.210 1.00 24.43 C ATOM 308 CG TYR A 20 12.795 0.875 -16.945 1.00 13.33 C ATOM 309 CD1 TYR A 20 13.560 1.823 -16.277 1.00 3.41 C ATOM 310 CD2 TYR A 20 13.008 0.703 -18.307 1.00 33.23 C ATOM 311 CE1 TYR A 20 14.508 2.575 -16.944 1.00 52.33 C ATOM 312 CE2 TYR A 20 13.954 1.449 -18.982 1.00 10.11 C ATOM 313 CZ TYR A 20 14.701 2.384 -18.297 1.00 3.15 C ATOM 314 OH TYR A 20 15.644 3.131 -18.966 1.00 31.42 O ATOM 0 H TYR A 20 10.753 2.803 -15.672 1.00 14.25 H new ATOM 0 HA TYR A 20 9.680 0.298 -16.702 1.00 32.44 H new ATOM 0 HB2 TYR A 20 12.143 -0.202 -15.224 1.00 24.43 H new ATOM 0 HB3 TYR A 20 11.601 -0.880 -16.745 1.00 24.43 H new ATOM 0 HD1 TYR A 20 13.411 1.975 -15.218 1.00 3.41 H new ATOM 0 HD2 TYR A 20 12.424 -0.027 -18.847 1.00 33.23 H new ATOM 0 HE1 TYR A 20 15.094 3.308 -16.410 1.00 52.33 H new ATOM 0 HE2 TYR A 20 14.108 1.301 -20.041 1.00 10.11 H new ATOM 0 HH TYR A 20 15.655 2.873 -19.911 1.00 31.42 H new ATOM 324 N TYR A 21 8.969 -0.245 -14.388 1.00 1.14 N ATOM 325 CA TYR A 21 8.416 -0.460 -13.056 1.00 3.34 C ATOM 326 C TYR A 21 7.509 -1.686 -13.034 1.00 12.13 C ATOM 327 O TYR A 21 7.524 -2.500 -13.957 1.00 54.03 O ATOM 328 CB TYR A 21 7.636 0.774 -12.599 1.00 50.23 C ATOM 329 CG TYR A 21 8.003 1.243 -11.209 1.00 61.14 C ATOM 330 CD1 TYR A 21 8.485 0.352 -10.259 1.00 20.32 C ATOM 331 CD2 TYR A 21 7.869 2.578 -10.847 1.00 73.32 C ATOM 332 CE1 TYR A 21 8.821 0.776 -8.988 1.00 32.43 C ATOM 333 CE2 TYR A 21 8.203 3.011 -9.579 1.00 25.12 C ATOM 334 CZ TYR A 21 8.679 2.106 -8.653 1.00 15.05 C ATOM 335 OH TYR A 21 9.013 2.532 -7.388 1.00 3.52 O ATOM 0 H TYR A 21 8.557 -0.829 -15.115 1.00 1.14 H new ATOM 0 HA TYR A 21 9.245 -0.632 -12.370 1.00 3.34 H new ATOM 0 HB2 TYR A 21 7.811 1.586 -13.305 1.00 50.23 H new ATOM 0 HB3 TYR A 21 6.570 0.550 -12.628 1.00 50.23 H new ATOM 0 HD1 TYR A 21 8.599 -0.690 -10.518 1.00 20.32 H new ATOM 0 HD2 TYR A 21 7.497 3.289 -11.570 1.00 73.32 H new ATOM 0 HE1 TYR A 21 9.193 0.070 -8.261 1.00 32.43 H new ATOM 0 HE2 TYR A 21 8.092 4.052 -9.314 1.00 25.12 H new ATOM 0 HH TYR A 21 9.975 2.409 -7.245 1.00 3.52 H new ATOM 345 N TYR A 22 6.719 -1.810 -11.973 1.00 23.33 N ATOM 346 CA TYR A 22 5.806 -2.937 -11.828 1.00 34.32 C ATOM 347 C TYR A 22 4.495 -2.674 -12.562 1.00 53.25 C ATOM 348 O TYR A 22 4.029 -1.538 -12.635 1.00 53.31 O ATOM 349 CB TYR A 22 5.528 -3.209 -10.348 1.00 63.23 C ATOM 350 CG TYR A 22 5.565 -1.967 -9.487 1.00 54.22 C ATOM 351 CD1 TYR A 22 4.745 -0.880 -9.766 1.00 21.12 C ATOM 352 CD2 TYR A 22 6.418 -1.880 -8.394 1.00 62.42 C ATOM 353 CE1 TYR A 22 4.776 0.257 -8.982 1.00 53.02 C ATOM 354 CE2 TYR A 22 6.454 -0.748 -7.604 1.00 44.31 C ATOM 355 CZ TYR A 22 5.632 0.318 -7.902 1.00 53.44 C ATOM 356 OH TYR A 22 5.664 1.449 -7.118 1.00 62.15 O ATOM 0 H TYR A 22 6.693 -1.144 -11.201 1.00 23.33 H new ATOM 0 HA TYR A 22 6.280 -3.814 -12.269 1.00 34.32 H new ATOM 0 HB2 TYR A 22 4.549 -3.679 -10.251 1.00 63.23 H new ATOM 0 HB3 TYR A 22 6.263 -3.922 -9.974 1.00 63.23 H new ATOM 0 HD1 TYR A 22 4.072 -0.925 -10.610 1.00 21.12 H new ATOM 0 HD2 TYR A 22 7.064 -2.712 -8.158 1.00 62.42 H new ATOM 0 HE1 TYR A 22 4.133 1.094 -9.213 1.00 53.02 H new ATOM 0 HE2 TYR A 22 7.122 -0.698 -6.757 1.00 44.31 H new ATOM 0 HH TYR A 22 6.476 1.961 -7.315 1.00 62.15 H new ATOM 366 N ASN A 23 3.905 -3.734 -13.105 1.00 51.15 N ATOM 367 CA ASN A 23 2.647 -3.619 -13.835 1.00 3.20 C ATOM 368 C ASN A 23 1.743 -4.814 -13.552 1.00 33.24 C ATOM 369 O ASN A 23 2.218 -5.900 -13.220 1.00 43.42 O ATOM 370 CB ASN A 23 2.913 -3.511 -15.338 1.00 25.32 C ATOM 371 CG ASN A 23 4.359 -3.805 -15.692 1.00 14.04 C ATOM 372 OD1 ASN A 23 5.203 -2.909 -15.693 1.00 24.55 O ATOM 373 ND2 ASN A 23 4.649 -5.065 -15.995 1.00 1.15 N ATOM 0 H ASN A 23 4.277 -4.682 -13.053 1.00 51.15 H new ATOM 0 HA ASN A 23 2.141 -2.715 -13.497 1.00 3.20 H new ATOM 0 HB2 ASN A 23 2.263 -4.206 -15.870 1.00 25.32 H new ATOM 0 HB3 ASN A 23 2.655 -2.508 -15.679 1.00 25.32 H new ATOM 0 HD21 ASN A 23 5.604 -5.323 -16.242 1.00 1.15 H new ATOM 0 HD22 ASN A 23 3.916 -5.775 -15.981 1.00 1.15 H new ATOM 380 N GLU A 24 0.437 -4.606 -13.685 1.00 55.12 N ATOM 381 CA GLU A 24 -0.534 -5.667 -13.443 1.00 52.32 C ATOM 382 C GLU A 24 -0.625 -6.605 -14.643 1.00 54.13 C ATOM 383 O GLU A 24 0.318 -6.723 -15.424 1.00 61.12 O ATOM 384 CB GLU A 24 -1.911 -5.070 -13.143 1.00 23.03 C ATOM 385 CG GLU A 24 -2.593 -5.691 -11.935 1.00 61.14 C ATOM 386 CD GLU A 24 -2.293 -7.171 -11.793 1.00 55.21 C ATOM 387 OE1 GLU A 24 -3.001 -7.983 -12.424 1.00 71.22 O ATOM 388 OE2 GLU A 24 -1.351 -7.516 -11.050 1.00 44.23 O ATOM 0 H GLU A 24 0.027 -3.713 -13.959 1.00 55.12 H new ATOM 0 HA GLU A 24 -0.199 -6.241 -12.579 1.00 52.32 H new ATOM 0 HB2 GLU A 24 -1.805 -3.998 -12.979 1.00 23.03 H new ATOM 0 HB3 GLU A 24 -2.551 -5.197 -14.016 1.00 23.03 H new ATOM 0 HG2 GLU A 24 -2.271 -5.171 -11.033 1.00 61.14 H new ATOM 0 HG3 GLU A 24 -3.671 -5.549 -12.018 1.00 61.14 H new ATOM 395 N GLU A 25 -1.768 -7.270 -14.782 1.00 13.32 N ATOM 396 CA GLU A 25 -1.982 -8.198 -15.886 1.00 31.34 C ATOM 397 C GLU A 25 -1.093 -9.430 -15.740 1.00 43.25 C ATOM 398 O GLU A 25 -1.042 -10.280 -16.629 1.00 33.41 O ATOM 399 CB GLU A 25 -1.703 -7.509 -17.223 1.00 11.23 C ATOM 400 CG GLU A 25 -2.767 -7.770 -18.276 1.00 0.33 C ATOM 401 CD GLU A 25 -2.608 -9.122 -18.944 1.00 4.43 C ATOM 402 OE1 GLU A 25 -3.148 -10.113 -18.410 1.00 62.45 O ATOM 403 OE2 GLU A 25 -1.943 -9.188 -19.999 1.00 31.12 O ATOM 0 H GLU A 25 -2.559 -7.183 -14.144 1.00 13.32 H new ATOM 0 HA GLU A 25 -3.024 -8.518 -15.862 1.00 31.34 H new ATOM 0 HB2 GLU A 25 -1.622 -6.434 -17.059 1.00 11.23 H new ATOM 0 HB3 GLU A 25 -0.738 -7.847 -17.602 1.00 11.23 H new ATOM 0 HG2 GLU A 25 -3.752 -7.711 -17.814 1.00 0.33 H new ATOM 0 HG3 GLU A 25 -2.723 -6.987 -19.033 1.00 0.33 H new ATOM 410 N SER A 26 -0.392 -9.517 -14.614 1.00 73.32 N ATOM 411 CA SER A 26 0.499 -10.642 -14.354 1.00 11.34 C ATOM 412 C SER A 26 1.315 -10.405 -13.087 1.00 24.43 C ATOM 413 O SER A 26 1.752 -11.350 -12.431 1.00 20.32 O ATOM 414 CB SER A 26 1.435 -10.864 -15.543 1.00 71.32 C ATOM 415 OG SER A 26 2.528 -11.692 -15.184 1.00 74.24 O ATOM 0 H SER A 26 -0.424 -8.823 -13.868 1.00 73.32 H new ATOM 0 HA SER A 26 -0.112 -11.533 -14.211 1.00 11.34 H new ATOM 0 HB2 SER A 26 0.883 -11.321 -16.364 1.00 71.32 H new ATOM 0 HB3 SER A 26 1.805 -9.904 -15.903 1.00 71.32 H new ATOM 0 HG SER A 26 3.111 -11.820 -15.962 1.00 74.24 H new ATOM 421 N GLY A 27 1.518 -9.135 -12.749 1.00 32.53 N ATOM 422 CA GLY A 27 2.281 -8.796 -11.562 1.00 63.31 C ATOM 423 C GLY A 27 3.777 -8.877 -11.792 1.00 63.44 C ATOM 424 O GLY A 27 4.510 -9.436 -10.975 1.00 51.34 O ATOM 0 H GLY A 27 1.168 -8.335 -13.276 1.00 32.53 H new ATOM 0 HA2 GLY A 27 2.020 -7.787 -11.242 1.00 63.31 H new ATOM 0 HA3 GLY A 27 2.004 -9.470 -10.751 1.00 63.31 H new ATOM 428 N LYS A 28 4.233 -8.320 -12.909 1.00 64.32 N ATOM 429 CA LYS A 28 5.652 -8.332 -13.246 1.00 51.44 C ATOM 430 C LYS A 28 6.154 -6.920 -13.535 1.00 72.40 C ATOM 431 O LYS A 28 5.407 -5.949 -13.418 1.00 55.33 O ATOM 432 CB LYS A 28 5.902 -9.231 -14.459 1.00 73.11 C ATOM 433 CG LYS A 28 5.149 -10.549 -14.404 1.00 74.02 C ATOM 434 CD LYS A 28 5.608 -11.406 -13.237 1.00 3.24 C ATOM 435 CE LYS A 28 5.409 -12.887 -13.519 1.00 55.14 C ATOM 436 NZ LYS A 28 4.323 -13.470 -12.683 1.00 51.21 N ATOM 0 H LYS A 28 3.640 -7.855 -13.596 1.00 64.32 H new ATOM 0 HA LYS A 28 6.200 -8.726 -12.390 1.00 51.44 H new ATOM 0 HB2 LYS A 28 5.614 -8.695 -15.363 1.00 73.11 H new ATOM 0 HB3 LYS A 28 6.970 -9.435 -14.536 1.00 73.11 H new ATOM 0 HG2 LYS A 28 4.080 -10.355 -14.315 1.00 74.02 H new ATOM 0 HG3 LYS A 28 5.298 -11.093 -15.337 1.00 74.02 H new ATOM 0 HD2 LYS A 28 6.661 -11.212 -13.034 1.00 3.24 H new ATOM 0 HD3 LYS A 28 5.054 -11.128 -12.340 1.00 3.24 H new ATOM 0 HE2 LYS A 28 5.171 -13.027 -14.573 1.00 55.14 H new ATOM 0 HE3 LYS A 28 6.340 -13.421 -13.329 1.00 55.14 H new ATOM 0 HZ1 LYS A 28 3.986 -14.353 -13.118 1.00 51.21 H new ATOM 0 HZ2 LYS A 28 4.688 -13.671 -11.730 1.00 51.21 H new ATOM 0 HZ3 LYS A 28 3.535 -12.794 -12.616 1.00 51.21 H new ATOM 450 N CYS A 29 7.423 -6.815 -13.914 1.00 1.33 N ATOM 451 CA CYS A 29 8.025 -5.523 -14.220 1.00 41.23 C ATOM 452 C CYS A 29 8.262 -5.375 -15.721 1.00 34.34 C ATOM 453 O CYS A 29 8.779 -6.284 -16.369 1.00 41.12 O ATOM 454 CB CYS A 29 9.346 -5.360 -13.466 1.00 64.52 C ATOM 455 SG CYS A 29 9.227 -5.688 -11.678 1.00 41.51 S ATOM 0 H CYS A 29 8.055 -7.609 -14.017 1.00 1.33 H new ATOM 0 HA CYS A 29 7.333 -4.744 -13.900 1.00 41.23 H new ATOM 0 HB2 CYS A 29 10.085 -6.034 -13.900 1.00 64.52 H new ATOM 0 HB3 CYS A 29 9.714 -4.345 -13.615 1.00 64.52 H new ATOM 460 N GLU A 30 7.879 -4.224 -16.264 1.00 73.01 N ATOM 461 CA GLU A 30 8.049 -3.958 -17.688 1.00 32.23 C ATOM 462 C GLU A 30 8.408 -2.495 -17.929 1.00 1.22 C ATOM 463 O GLU A 30 8.609 -1.729 -16.986 1.00 10.33 O ATOM 464 CB GLU A 30 6.772 -4.314 -18.452 1.00 14.33 C ATOM 465 CG GLU A 30 6.651 -5.792 -18.780 1.00 74.34 C ATOM 466 CD GLU A 30 6.684 -6.063 -20.272 1.00 50.10 C ATOM 467 OE1 GLU A 30 7.466 -5.395 -20.980 1.00 2.35 O ATOM 468 OE2 GLU A 30 5.927 -6.944 -20.731 1.00 42.15 O ATOM 0 H GLU A 30 7.449 -3.461 -15.740 1.00 73.01 H new ATOM 0 HA GLU A 30 8.867 -4.580 -18.052 1.00 32.23 H new ATOM 0 HB2 GLU A 30 5.908 -4.010 -17.861 1.00 14.33 H new ATOM 0 HB3 GLU A 30 6.742 -3.741 -19.379 1.00 14.33 H new ATOM 0 HG2 GLU A 30 7.464 -6.335 -18.298 1.00 74.34 H new ATOM 0 HG3 GLU A 30 5.720 -6.177 -18.365 1.00 74.34 H new ATOM 475 N THR A 31 8.488 -2.113 -19.200 1.00 1.23 N ATOM 476 CA THR A 31 8.825 -0.743 -19.566 1.00 53.03 C ATOM 477 C THR A 31 7.630 -0.032 -20.192 1.00 2.13 C ATOM 478 O THR A 31 6.698 -0.673 -20.677 1.00 51.25 O ATOM 479 CB THR A 31 10.007 -0.700 -20.552 1.00 44.32 C ATOM 480 OG1 THR A 31 9.541 -0.927 -21.887 1.00 21.52 O ATOM 481 CG2 THR A 31 11.053 -1.744 -20.190 1.00 14.24 C ATOM 0 H THR A 31 8.324 -2.733 -19.993 1.00 1.23 H new ATOM 0 HA THR A 31 9.109 -0.231 -18.647 1.00 53.03 H new ATOM 0 HB THR A 31 10.466 0.287 -20.491 1.00 44.32 H new ATOM 0 HG1 THR A 31 10.299 -0.896 -22.508 1.00 21.52 H new ATOM 0 HG21 THR A 31 11.878 -1.694 -20.901 1.00 14.24 H new ATOM 0 HG22 THR A 31 11.428 -1.550 -19.185 1.00 14.24 H new ATOM 0 HG23 THR A 31 10.604 -2.736 -20.225 1.00 14.24 H new ATOM 489 N PHE A 32 7.664 1.297 -20.177 1.00 62.53 N ATOM 490 CA PHE A 32 6.583 2.095 -20.743 1.00 44.23 C ATOM 491 C PHE A 32 7.125 3.377 -21.370 1.00 32.21 C ATOM 492 O PHE A 32 8.246 3.797 -21.080 1.00 34.50 O ATOM 493 CB PHE A 32 5.554 2.437 -19.664 1.00 2.11 C ATOM 494 CG PHE A 32 4.307 3.075 -20.206 1.00 11.04 C ATOM 495 CD1 PHE A 32 3.561 2.444 -21.188 1.00 51.22 C ATOM 496 CD2 PHE A 32 3.880 4.305 -19.732 1.00 1.12 C ATOM 497 CE1 PHE A 32 2.413 3.030 -21.689 1.00 23.52 C ATOM 498 CE2 PHE A 32 2.733 4.895 -20.228 1.00 50.13 C ATOM 499 CZ PHE A 32 1.998 4.256 -21.207 1.00 61.24 C ATOM 0 H PHE A 32 8.428 1.843 -19.779 1.00 62.53 H new ATOM 0 HA PHE A 32 6.099 1.506 -21.522 1.00 44.23 H new ATOM 0 HB2 PHE A 32 5.284 1.526 -19.129 1.00 2.11 H new ATOM 0 HB3 PHE A 32 6.011 3.110 -18.938 1.00 2.11 H new ATOM 0 HD1 PHE A 32 3.879 1.484 -21.566 1.00 51.22 H new ATOM 0 HD2 PHE A 32 4.450 4.809 -18.966 1.00 1.12 H new ATOM 0 HE1 PHE A 32 1.841 2.529 -22.457 1.00 23.52 H new ATOM 0 HE2 PHE A 32 2.412 5.855 -19.850 1.00 50.13 H new ATOM 0 HZ PHE A 32 1.100 4.714 -21.595 1.00 61.24 H new ATOM 509 N ILE A 33 6.321 3.993 -22.230 1.00 62.12 N ATOM 510 CA ILE A 33 6.719 5.226 -22.897 1.00 52.34 C ATOM 511 C ILE A 33 5.929 6.418 -22.367 1.00 34.31 C ATOM 512 O ILE A 33 4.728 6.317 -22.115 1.00 74.11 O ATOM 513 CB ILE A 33 6.521 5.131 -24.422 1.00 34.13 C ATOM 514 CG1 ILE A 33 7.115 3.826 -24.955 1.00 22.34 C ATOM 515 CG2 ILE A 33 7.153 6.329 -25.114 1.00 51.01 C ATOM 516 CD1 ILE A 33 6.075 2.843 -25.444 1.00 55.24 C ATOM 0 H ILE A 33 5.391 3.658 -22.481 1.00 62.12 H new ATOM 0 HA ILE A 33 7.778 5.371 -22.684 1.00 52.34 H new ATOM 0 HB ILE A 33 5.452 5.135 -24.636 1.00 34.13 H new ATOM 0 HG12 ILE A 33 7.799 4.055 -25.772 1.00 22.34 H new ATOM 0 HG13 ILE A 33 7.705 3.357 -24.168 1.00 22.34 H new ATOM 0 HG21 ILE A 33 7.005 6.247 -26.191 1.00 51.01 H new ATOM 0 HG22 ILE A 33 6.687 7.246 -24.752 1.00 51.01 H new ATOM 0 HG23 ILE A 33 8.221 6.354 -24.896 1.00 51.01 H new ATOM 0 HD11 ILE A 33 6.569 1.942 -25.807 1.00 55.24 H new ATOM 0 HD12 ILE A 33 5.405 2.584 -24.624 1.00 55.24 H new ATOM 0 HD13 ILE A 33 5.501 3.293 -26.254 1.00 55.24 H new ATOM 528 N TYR A 34 6.610 7.546 -22.201 1.00 21.32 N ATOM 529 CA TYR A 34 5.972 8.757 -21.700 1.00 3.34 C ATOM 530 C TYR A 34 6.485 9.989 -22.440 1.00 30.03 C ATOM 531 O TYR A 34 7.592 9.989 -22.976 1.00 71.25 O ATOM 532 CB TYR A 34 6.225 8.908 -20.199 1.00 1.43 C ATOM 533 CG TYR A 34 4.965 9.124 -19.391 1.00 62.01 C ATOM 534 CD1 TYR A 34 4.277 10.330 -19.450 1.00 31.33 C ATOM 535 CD2 TYR A 34 4.463 8.123 -18.569 1.00 25.32 C ATOM 536 CE1 TYR A 34 3.126 10.532 -18.713 1.00 73.51 C ATOM 537 CE2 TYR A 34 3.312 8.315 -17.830 1.00 3.21 C ATOM 538 CZ TYR A 34 2.647 9.521 -17.905 1.00 42.22 C ATOM 539 OH TYR A 34 1.501 9.717 -17.170 1.00 11.44 O ATOM 0 H TYR A 34 7.604 7.647 -22.406 1.00 21.32 H new ATOM 0 HA TYR A 34 4.899 8.671 -21.874 1.00 3.34 H new ATOM 0 HB2 TYR A 34 6.733 8.016 -19.833 1.00 1.43 H new ATOM 0 HB3 TYR A 34 6.900 9.748 -20.036 1.00 1.43 H new ATOM 0 HD1 TYR A 34 4.648 11.123 -20.083 1.00 31.33 H new ATOM 0 HD2 TYR A 34 4.982 7.178 -18.507 1.00 25.32 H new ATOM 0 HE1 TYR A 34 2.604 11.476 -18.769 1.00 73.51 H new ATOM 0 HE2 TYR A 34 2.935 7.525 -17.197 1.00 3.21 H new ATOM 0 HH TYR A 34 1.429 9.020 -16.485 1.00 11.44 H new ATOM 549 N GLY A 35 5.670 11.039 -22.463 1.00 1.52 N ATOM 550 CA GLY A 35 6.057 12.264 -23.138 1.00 44.05 C ATOM 551 C GLY A 35 6.890 13.174 -22.257 1.00 64.25 C ATOM 552 O GLY A 35 8.008 12.828 -21.877 1.00 32.23 O ATOM 0 H GLY A 35 4.749 11.063 -22.026 1.00 1.52 H new ATOM 0 HA2 GLY A 35 6.622 12.017 -24.037 1.00 44.05 H new ATOM 0 HA3 GLY A 35 5.162 12.796 -23.461 1.00 44.05 H new ATOM 556 N GLY A 36 6.346 14.343 -21.934 1.00 34.34 N ATOM 557 CA GLY A 36 7.061 15.288 -21.096 1.00 33.31 C ATOM 558 C GLY A 36 6.360 15.538 -19.775 1.00 71.33 C ATOM 559 O GLY A 36 6.947 16.097 -18.849 1.00 31.34 O ATOM 0 H GLY A 36 5.423 14.653 -22.238 1.00 34.34 H new ATOM 0 HA2 GLY A 36 8.066 14.911 -20.905 1.00 33.31 H new ATOM 0 HA3 GLY A 36 7.170 16.232 -21.630 1.00 33.31 H new ATOM 563 N VAL A 37 5.100 15.124 -19.688 1.00 55.33 N ATOM 564 CA VAL A 37 4.317 15.307 -18.471 1.00 43.05 C ATOM 565 C VAL A 37 4.642 14.230 -17.442 1.00 41.15 C ATOM 566 O VAL A 37 5.008 13.110 -17.795 1.00 63.22 O ATOM 567 CB VAL A 37 2.806 15.280 -18.767 1.00 12.43 C ATOM 568 CG1 VAL A 37 2.012 15.633 -17.518 1.00 75.22 C ATOM 569 CG2 VAL A 37 2.469 16.228 -19.908 1.00 5.42 C ATOM 0 H VAL A 37 4.599 14.660 -20.446 1.00 55.33 H new ATOM 0 HA VAL A 37 4.583 16.284 -18.067 1.00 43.05 H new ATOM 0 HB VAL A 37 2.531 14.270 -19.071 1.00 12.43 H new ATOM 0 HG11 VAL A 37 0.946 15.609 -17.746 1.00 75.22 H new ATOM 0 HG12 VAL A 37 2.231 14.911 -16.731 1.00 75.22 H new ATOM 0 HG13 VAL A 37 2.289 16.632 -17.181 1.00 75.22 H new ATOM 0 HG21 VAL A 37 1.397 16.196 -20.103 1.00 5.42 H new ATOM 0 HG22 VAL A 37 2.758 17.243 -19.635 1.00 5.42 H new ATOM 0 HG23 VAL A 37 3.010 15.925 -20.804 1.00 5.42 H new ATOM 579 N GLY A 38 4.505 14.578 -16.166 1.00 73.44 N ATOM 580 CA GLY A 38 4.787 13.629 -15.105 1.00 1.43 C ATOM 581 C GLY A 38 3.950 12.371 -15.214 1.00 33.33 C ATOM 582 O GLY A 38 2.825 12.406 -15.712 1.00 64.21 O ATOM 0 H GLY A 38 4.204 15.499 -15.848 1.00 73.44 H new ATOM 0 HA2 GLY A 38 5.843 13.362 -15.132 1.00 1.43 H new ATOM 0 HA3 GLY A 38 4.602 14.102 -14.140 1.00 1.43 H new ATOM 586 N GLY A 39 4.499 11.253 -14.747 1.00 44.42 N ATOM 587 CA GLY A 39 3.782 9.993 -14.806 1.00 2.23 C ATOM 588 C GLY A 39 3.397 9.481 -13.432 1.00 23.10 C ATOM 589 O GLY A 39 3.876 9.986 -12.417 1.00 54.25 O ATOM 0 H GLY A 39 5.428 11.198 -14.329 1.00 44.42 H new ATOM 0 HA2 GLY A 39 2.883 10.118 -15.409 1.00 2.23 H new ATOM 0 HA3 GLY A 39 4.401 9.249 -15.307 1.00 2.23 H new ATOM 593 N ASN A 40 2.529 8.475 -13.399 1.00 51.30 N ATOM 594 CA ASN A 40 2.078 7.896 -12.139 1.00 30.21 C ATOM 595 C ASN A 40 3.244 7.272 -11.379 1.00 25.21 C ATOM 596 O ASN A 40 4.408 7.559 -11.661 1.00 54.43 O ATOM 597 CB ASN A 40 1.000 6.841 -12.396 1.00 15.35 C ATOM 598 CG ASN A 40 0.046 7.247 -13.503 1.00 64.32 C ATOM 599 OD1 ASN A 40 -0.679 8.234 -13.382 1.00 74.24 O ATOM 600 ND2 ASN A 40 0.044 6.484 -14.590 1.00 43.13 N ATOM 0 H ASN A 40 2.124 8.044 -14.230 1.00 51.30 H new ATOM 0 HA ASN A 40 1.657 8.696 -11.530 1.00 30.21 H new ATOM 0 HB2 ASN A 40 1.476 5.896 -12.658 1.00 15.35 H new ATOM 0 HB3 ASN A 40 0.436 6.670 -11.479 1.00 15.35 H new ATOM 0 HD21 ASN A 40 -0.576 6.707 -15.369 1.00 43.13 H new ATOM 0 HD22 ASN A 40 0.663 5.675 -14.646 1.00 43.13 H new ATOM 607 N SER A 41 2.925 6.416 -10.414 1.00 34.23 N ATOM 608 CA SER A 41 3.945 5.753 -9.610 1.00 44.24 C ATOM 609 C SER A 41 4.604 4.622 -10.394 1.00 73.21 C ATOM 610 O SER A 41 5.493 3.938 -9.889 1.00 43.34 O ATOM 611 CB SER A 41 3.333 5.206 -8.320 1.00 31.33 C ATOM 612 OG SER A 41 4.335 4.927 -7.358 1.00 4.24 O ATOM 0 H SER A 41 1.967 6.165 -10.170 1.00 34.23 H new ATOM 0 HA SER A 41 4.708 6.489 -9.357 1.00 44.24 H new ATOM 0 HB2 SER A 41 2.626 5.930 -7.914 1.00 31.33 H new ATOM 0 HB3 SER A 41 2.770 4.298 -8.537 1.00 31.33 H new ATOM 0 HG SER A 41 5.124 4.557 -7.806 1.00 4.24 H new ATOM 618 N ASN A 42 4.159 4.431 -11.632 1.00 12.00 N ATOM 619 CA ASN A 42 4.704 3.382 -12.487 1.00 14.43 C ATOM 620 C ASN A 42 5.870 3.909 -13.318 1.00 33.03 C ATOM 621 O ASN A 42 6.238 3.319 -14.333 1.00 12.43 O ATOM 622 CB ASN A 42 3.614 2.830 -13.408 1.00 65.24 C ATOM 623 CG ASN A 42 3.573 1.314 -13.410 1.00 70.13 C ATOM 624 OD1 ASN A 42 2.732 0.704 -12.749 1.00 44.11 O ATOM 625 ND2 ASN A 42 4.483 0.698 -14.156 1.00 3.14 N ATOM 0 H ASN A 42 3.423 4.988 -12.065 1.00 12.00 H new ATOM 0 HA ASN A 42 5.071 2.579 -11.848 1.00 14.43 H new ATOM 0 HB2 ASN A 42 2.645 3.217 -13.092 1.00 65.24 H new ATOM 0 HB3 ASN A 42 3.784 3.188 -14.423 1.00 65.24 H new ATOM 0 HD21 ASN A 42 4.504 -0.321 -14.197 1.00 3.14 H new ATOM 0 HD22 ASN A 42 5.161 1.244 -14.688 1.00 3.14 H new ATOM 632 N ASN A 43 6.447 5.023 -12.878 1.00 71.34 N ATOM 633 CA ASN A 43 7.572 5.629 -13.581 1.00 54.23 C ATOM 634 C ASN A 43 8.829 5.608 -12.717 1.00 15.31 C ATOM 635 O ASN A 43 8.809 6.039 -11.564 1.00 21.14 O ATOM 636 CB ASN A 43 7.236 7.068 -13.978 1.00 52.31 C ATOM 637 CG ASN A 43 8.215 8.071 -13.399 1.00 42.13 C ATOM 638 OD1 ASN A 43 9.379 8.191 -14.027 1.00 21.03 O flip ATOM 639 ND2 ASN A 43 7.928 8.730 -12.400 1.00 42.10 N flip ATOM 0 H ASN A 43 6.154 5.524 -12.039 1.00 71.34 H new ATOM 0 HA ASN A 43 7.763 5.045 -14.482 1.00 54.23 H new ATOM 0 HB2 ASN A 43 7.235 7.151 -15.065 1.00 52.31 H new ATOM 0 HB3 ASN A 43 6.229 7.310 -13.639 1.00 52.31 H new ATOM 0 HD21 ASN A 43 7.021 8.605 -11.950 1.00 42.10 H new ATOM 0 HD22 ASN A 43 8.597 9.401 -12.022 1.00 42.10 H new ATOM 646 N PHE A 44 9.921 5.105 -13.283 1.00 13.25 N ATOM 647 CA PHE A 44 11.187 5.028 -12.564 1.00 23.50 C ATOM 648 C PHE A 44 12.304 4.537 -13.481 1.00 73.11 C ATOM 649 O PHE A 44 12.113 3.611 -14.270 1.00 74.43 O ATOM 650 CB PHE A 44 11.057 4.096 -11.357 1.00 40.11 C ATOM 651 CG PHE A 44 11.617 4.675 -10.090 1.00 5.34 C ATOM 652 CD1 PHE A 44 12.984 4.685 -9.862 1.00 22.43 C ATOM 653 CD2 PHE A 44 10.778 5.211 -9.126 1.00 72.04 C ATOM 654 CE1 PHE A 44 13.502 5.216 -8.696 1.00 3.30 C ATOM 655 CE2 PHE A 44 11.290 5.744 -7.959 1.00 3.42 C ATOM 656 CZ PHE A 44 12.655 5.748 -7.744 1.00 35.11 C ATOM 0 H PHE A 44 9.955 4.745 -14.237 1.00 13.25 H new ATOM 0 HA PHE A 44 11.440 6.029 -12.216 1.00 23.50 H new ATOM 0 HB2 PHE A 44 10.004 3.857 -11.204 1.00 40.11 H new ATOM 0 HB3 PHE A 44 11.568 3.158 -11.575 1.00 40.11 H new ATOM 0 HD1 PHE A 44 13.652 4.273 -10.604 1.00 22.43 H new ATOM 0 HD2 PHE A 44 9.710 5.212 -9.289 1.00 72.04 H new ATOM 0 HE1 PHE A 44 14.569 5.215 -8.529 1.00 3.30 H new ATOM 0 HE2 PHE A 44 10.624 6.157 -7.216 1.00 3.42 H new ATOM 0 HZ PHE A 44 13.058 6.166 -6.834 1.00 35.11 H new ATOM 666 N LEU A 45 13.469 5.164 -13.372 1.00 4.40 N ATOM 667 CA LEU A 45 14.618 4.793 -14.191 1.00 51.23 C ATOM 668 C LEU A 45 15.219 3.473 -13.720 1.00 2.03 C ATOM 669 O LEU A 45 16.209 2.995 -14.275 1.00 70.11 O ATOM 670 CB LEU A 45 15.679 5.895 -14.147 1.00 35.44 C ATOM 671 CG LEU A 45 15.179 7.318 -14.396 1.00 51.01 C ATOM 672 CD1 LEU A 45 14.011 7.311 -15.371 1.00 24.24 C ATOM 673 CD2 LEU A 45 14.778 7.980 -13.086 1.00 21.13 C ATOM 0 H LEU A 45 13.644 5.932 -12.724 1.00 4.40 H new ATOM 0 HA LEU A 45 14.275 4.669 -15.218 1.00 51.23 H new ATOM 0 HB2 LEU A 45 16.163 5.867 -13.171 1.00 35.44 H new ATOM 0 HB3 LEU A 45 16.444 5.665 -14.889 1.00 35.44 H new ATOM 0 HG LEU A 45 15.991 7.895 -14.838 1.00 51.01 H new ATOM 0 HD11 LEU A 45 13.669 8.333 -15.536 1.00 24.24 H new ATOM 0 HD12 LEU A 45 14.331 6.878 -16.319 1.00 24.24 H new ATOM 0 HD13 LEU A 45 13.196 6.717 -14.958 1.00 24.24 H new ATOM 0 HD21 LEU A 45 14.425 8.992 -13.283 1.00 21.13 H new ATOM 0 HD22 LEU A 45 13.982 7.403 -12.615 1.00 21.13 H new ATOM 0 HD23 LEU A 45 15.640 8.020 -12.420 1.00 21.13 H new ATOM 685 N THR A 46 14.613 2.886 -12.692 1.00 43.11 N ATOM 686 CA THR A 46 15.088 1.621 -12.146 1.00 74.23 C ATOM 687 C THR A 46 14.399 0.439 -12.819 1.00 52.02 C ATOM 688 O THR A 46 13.325 0.583 -13.403 1.00 54.33 O ATOM 689 CB THR A 46 14.851 1.541 -10.626 1.00 61.33 C ATOM 690 OG1 THR A 46 13.449 1.604 -10.345 1.00 14.12 O ATOM 691 CG2 THR A 46 15.570 2.672 -9.907 1.00 34.04 C ATOM 0 H THR A 46 13.792 3.267 -12.221 1.00 43.11 H new ATOM 0 HA THR A 46 16.159 1.574 -12.342 1.00 74.23 H new ATOM 0 HB THR A 46 15.250 0.592 -10.267 1.00 61.33 H new ATOM 0 HG1 THR A 46 13.188 2.536 -10.191 1.00 14.12 H new ATOM 0 HG21 THR A 46 15.388 2.595 -8.835 1.00 34.04 H new ATOM 0 HG22 THR A 46 16.641 2.603 -10.099 1.00 34.04 H new ATOM 0 HG23 THR A 46 15.197 3.630 -10.271 1.00 34.04 H new ATOM 699 N LYS A 47 15.023 -0.731 -12.733 1.00 40.25 N ATOM 700 CA LYS A 47 14.470 -1.940 -13.332 1.00 54.53 C ATOM 701 C LYS A 47 14.378 -3.063 -12.305 1.00 12.04 C ATOM 702 O LYS A 47 13.302 -3.350 -11.781 1.00 70.20 O ATOM 703 CB LYS A 47 15.330 -2.386 -14.517 1.00 34.43 C ATOM 704 CG LYS A 47 14.663 -2.177 -15.865 1.00 44.35 C ATOM 705 CD LYS A 47 14.320 -3.500 -16.530 1.00 2.45 C ATOM 706 CE LYS A 47 15.571 -4.301 -16.855 1.00 23.35 C ATOM 707 NZ LYS A 47 15.363 -5.208 -18.017 1.00 75.12 N ATOM 0 H LYS A 47 15.913 -0.868 -12.254 1.00 40.25 H new ATOM 0 HA LYS A 47 13.464 -1.713 -13.686 1.00 54.53 H new ATOM 0 HB2 LYS A 47 16.272 -1.838 -14.498 1.00 34.43 H new ATOM 0 HB3 LYS A 47 15.573 -3.442 -14.401 1.00 34.43 H new ATOM 0 HG2 LYS A 47 13.755 -1.588 -15.735 1.00 44.35 H new ATOM 0 HG3 LYS A 47 15.325 -1.603 -16.514 1.00 44.35 H new ATOM 0 HD2 LYS A 47 13.674 -4.082 -15.873 1.00 2.45 H new ATOM 0 HD3 LYS A 47 13.758 -3.314 -17.445 1.00 2.45 H new ATOM 0 HE2 LYS A 47 16.393 -3.619 -17.070 1.00 23.35 H new ATOM 0 HE3 LYS A 47 15.863 -4.888 -15.984 1.00 23.35 H new ATOM 0 HZ1 LYS A 47 16.239 -5.736 -18.206 1.00 75.12 H new ATOM 0 HZ2 LYS A 47 14.595 -5.876 -17.803 1.00 75.12 H new ATOM 0 HZ3 LYS A 47 15.109 -4.646 -18.855 1.00 75.12 H new ATOM 721 N GLU A 48 15.513 -3.693 -12.020 1.00 63.23 N ATOM 722 CA GLU A 48 15.559 -4.785 -11.054 1.00 42.43 C ATOM 723 C GLU A 48 14.909 -4.372 -9.737 1.00 24.45 C ATOM 724 O GLU A 48 14.128 -5.126 -9.155 1.00 41.50 O ATOM 725 CB GLU A 48 17.006 -5.217 -10.809 1.00 21.33 C ATOM 726 CG GLU A 48 17.345 -6.573 -11.405 1.00 24.11 C ATOM 727 CD GLU A 48 18.465 -7.274 -10.660 1.00 43.04 C ATOM 728 OE1 GLU A 48 19.642 -6.930 -10.900 1.00 31.41 O ATOM 729 OE2 GLU A 48 18.166 -8.165 -9.839 1.00 74.52 O ATOM 0 H GLU A 48 16.413 -3.466 -12.444 1.00 63.23 H new ATOM 0 HA GLU A 48 15.002 -5.626 -11.466 1.00 42.43 H new ATOM 0 HB2 GLU A 48 17.676 -4.467 -11.229 1.00 21.33 H new ATOM 0 HB3 GLU A 48 17.191 -5.245 -9.735 1.00 21.33 H new ATOM 0 HG2 GLU A 48 16.456 -7.203 -11.394 1.00 24.11 H new ATOM 0 HG3 GLU A 48 17.632 -6.446 -12.449 1.00 24.11 H new ATOM 736 N ASP A 49 15.239 -3.172 -9.271 1.00 73.44 N ATOM 737 CA ASP A 49 14.688 -2.659 -8.023 1.00 13.23 C ATOM 738 C ASP A 49 13.179 -2.878 -7.964 1.00 22.04 C ATOM 739 O ASP A 49 12.622 -3.149 -6.900 1.00 14.14 O ATOM 740 CB ASP A 49 15.005 -1.170 -7.875 1.00 3.04 C ATOM 741 CG ASP A 49 16.454 -0.921 -7.503 1.00 60.25 C ATOM 742 OD1 ASP A 49 17.151 -1.895 -7.148 1.00 3.44 O ATOM 743 OD2 ASP A 49 16.891 0.247 -7.570 1.00 31.53 O ATOM 0 H ASP A 49 15.885 -2.537 -9.739 1.00 73.44 H new ATOM 0 HA ASP A 49 15.149 -3.205 -7.200 1.00 13.23 H new ATOM 0 HB2 ASP A 49 14.780 -0.659 -8.811 1.00 3.04 H new ATOM 0 HB3 ASP A 49 14.358 -0.738 -7.112 1.00 3.04 H new ATOM 748 N CYS A 50 12.524 -2.758 -9.113 1.00 75.11 N ATOM 749 CA CYS A 50 11.079 -2.941 -9.193 1.00 64.41 C ATOM 750 C CYS A 50 10.630 -4.110 -8.321 1.00 23.22 C ATOM 751 O CYS A 50 9.804 -3.947 -7.423 1.00 35.41 O ATOM 752 CB CYS A 50 10.654 -3.180 -10.643 1.00 61.23 C ATOM 753 SG CYS A 50 8.941 -3.771 -10.828 1.00 31.30 S ATOM 0 H CYS A 50 12.970 -2.535 -10.003 1.00 75.11 H new ATOM 0 HA CYS A 50 10.602 -2.032 -8.826 1.00 64.41 H new ATOM 0 HB2 CYS A 50 10.769 -2.251 -11.202 1.00 61.23 H new ATOM 0 HB3 CYS A 50 11.329 -3.908 -11.093 1.00 61.23 H new ATOM 758 N CYS A 51 11.181 -5.289 -8.591 1.00 41.22 N ATOM 759 CA CYS A 51 10.838 -6.486 -7.833 1.00 5.35 C ATOM 760 C CYS A 51 10.957 -6.231 -6.333 1.00 23.44 C ATOM 761 O CYS A 51 10.036 -6.520 -5.569 1.00 12.12 O ATOM 762 CB CYS A 51 11.746 -7.649 -8.237 1.00 43.33 C ATOM 763 SG CYS A 51 11.271 -9.250 -7.511 1.00 23.42 S ATOM 0 H CYS A 51 11.868 -5.441 -9.330 1.00 41.22 H new ATOM 0 HA CYS A 51 9.804 -6.746 -8.060 1.00 5.35 H new ATOM 0 HB2 CYS A 51 11.741 -7.739 -9.323 1.00 43.33 H new ATOM 0 HB3 CYS A 51 12.769 -7.417 -7.941 1.00 43.33 H new ATOM 768 N ARG A 52 12.098 -5.689 -5.918 1.00 71.54 N ATOM 769 CA ARG A 52 12.338 -5.397 -4.510 1.00 71.15 C ATOM 770 C ARG A 52 11.284 -4.437 -3.967 1.00 51.22 C ATOM 771 O ARG A 52 10.823 -4.582 -2.836 1.00 32.52 O ATOM 772 CB ARG A 52 13.733 -4.799 -4.323 1.00 24.15 C ATOM 773 CG ARG A 52 14.488 -5.375 -3.135 1.00 51.32 C ATOM 774 CD ARG A 52 14.722 -6.869 -3.295 1.00 40.32 C ATOM 775 NE ARG A 52 16.031 -7.275 -2.791 1.00 44.54 N ATOM 776 CZ ARG A 52 17.171 -7.037 -3.431 1.00 50.32 C ATOM 777 NH1 ARG A 52 17.162 -6.398 -4.593 1.00 70.42 N ATOM 778 NH2 ARG A 52 18.323 -7.437 -2.908 1.00 72.33 N ATOM 0 H ARG A 52 12.870 -5.443 -6.537 1.00 71.54 H new ATOM 0 HA ARG A 52 12.273 -6.332 -3.954 1.00 71.15 H new ATOM 0 HB2 ARG A 52 14.315 -4.967 -5.229 1.00 24.15 H new ATOM 0 HB3 ARG A 52 13.643 -3.720 -4.197 1.00 24.15 H new ATOM 0 HG2 ARG A 52 15.445 -4.865 -3.029 1.00 51.32 H new ATOM 0 HG3 ARG A 52 13.925 -5.190 -2.220 1.00 51.32 H new ATOM 0 HD2 ARG A 52 13.943 -7.417 -2.764 1.00 40.32 H new ATOM 0 HD3 ARG A 52 14.640 -7.138 -4.348 1.00 40.32 H new ATOM 0 HE ARG A 52 16.073 -7.768 -1.899 1.00 44.54 H new ATOM 0 HH11 ARG A 52 16.279 -6.088 -4.998 1.00 70.42 H new ATOM 0 HH12 ARG A 52 18.039 -6.217 -5.082 1.00 70.42 H new ATOM 0 HH21 ARG A 52 18.334 -7.928 -2.014 1.00 72.33 H new ATOM 0 HH22 ARG A 52 19.197 -7.254 -3.400 1.00 72.33 H new ATOM 792 N GLU A 53 10.909 -3.456 -4.782 1.00 14.51 N ATOM 793 CA GLU A 53 9.910 -2.471 -4.382 1.00 22.05 C ATOM 794 C GLU A 53 8.606 -3.152 -3.979 1.00 35.25 C ATOM 795 O GLU A 53 7.881 -2.667 -3.109 1.00 42.30 O ATOM 796 CB GLU A 53 9.652 -1.482 -5.520 1.00 74.22 C ATOM 797 CG GLU A 53 10.308 -0.128 -5.311 1.00 51.11 C ATOM 798 CD GLU A 53 11.197 0.275 -6.472 1.00 31.04 C ATOM 799 OE1 GLU A 53 11.793 -0.624 -7.101 1.00 51.04 O ATOM 800 OE2 GLU A 53 11.297 1.488 -6.750 1.00 0.12 O ATOM 0 H GLU A 53 11.281 -3.322 -5.722 1.00 14.51 H new ATOM 0 HA GLU A 53 10.297 -1.928 -3.520 1.00 22.05 H new ATOM 0 HB2 GLU A 53 10.016 -1.912 -6.453 1.00 74.22 H new ATOM 0 HB3 GLU A 53 8.577 -1.342 -5.631 1.00 74.22 H new ATOM 0 HG2 GLU A 53 9.535 0.628 -5.170 1.00 51.11 H new ATOM 0 HG3 GLU A 53 10.900 -0.153 -4.396 1.00 51.11 H new ATOM 807 N CYS A 54 8.312 -4.280 -4.617 1.00 52.22 N ATOM 808 CA CYS A 54 7.095 -5.029 -4.328 1.00 11.52 C ATOM 809 C CYS A 54 7.416 -6.324 -3.587 1.00 41.43 C ATOM 810 O CYS A 54 6.518 -7.017 -3.110 1.00 63.04 O ATOM 811 CB CYS A 54 6.344 -5.342 -5.623 1.00 55.32 C ATOM 812 SG CYS A 54 4.536 -5.157 -5.498 1.00 14.35 S ATOM 0 H CYS A 54 8.901 -4.696 -5.339 1.00 52.22 H new ATOM 0 HA CYS A 54 6.462 -4.413 -3.689 1.00 11.52 H new ATOM 0 HB2 CYS A 54 6.712 -4.685 -6.411 1.00 55.32 H new ATOM 0 HB3 CYS A 54 6.574 -6.364 -5.926 1.00 55.32 H new ATOM 817 N ALA A 55 8.703 -6.642 -3.495 1.00 60.55 N ATOM 818 CA ALA A 55 9.143 -7.852 -2.812 1.00 24.13 C ATOM 819 C ALA A 55 8.780 -7.809 -1.331 1.00 74.24 C ATOM 820 O ALA A 55 8.798 -8.833 -0.649 1.00 62.21 O ATOM 821 CB ALA A 55 10.644 -8.039 -2.983 1.00 54.13 C ATOM 0 H ALA A 55 9.459 -6.079 -3.885 1.00 60.55 H new ATOM 0 HA ALA A 55 8.628 -8.701 -3.262 1.00 24.13 H new ATOM 0 HB1 ALA A 55 10.959 -8.947 -2.468 1.00 54.13 H new ATOM 0 HB2 ALA A 55 10.882 -8.123 -4.043 1.00 54.13 H new ATOM 0 HB3 ALA A 55 11.168 -7.182 -2.560 1.00 54.13 H new ATOM 827 N GLN A 56 8.450 -6.618 -0.842 1.00 61.20 N ATOM 828 CA GLN A 56 8.084 -6.443 0.558 1.00 34.14 C ATOM 829 C GLN A 56 6.699 -7.020 0.835 1.00 24.41 C ATOM 830 O GLN A 56 6.355 -7.312 1.980 1.00 71.25 O ATOM 831 CB GLN A 56 8.115 -4.961 0.934 1.00 4.42 C ATOM 832 CG GLN A 56 9.322 -4.219 0.382 1.00 11.32 C ATOM 833 CD GLN A 56 10.635 -4.872 0.767 1.00 52.22 C ATOM 834 OE1 GLN A 56 11.154 -5.722 0.043 1.00 1.10 O ATOM 835 NE2 GLN A 56 11.180 -4.477 1.912 1.00 53.14 N ATOM 0 H GLN A 56 8.429 -5.761 -1.394 1.00 61.20 H new ATOM 0 HA GLN A 56 8.811 -6.981 1.167 1.00 34.14 H new ATOM 0 HB2 GLN A 56 7.206 -4.483 0.568 1.00 4.42 H new ATOM 0 HB3 GLN A 56 8.108 -4.870 2.020 1.00 4.42 H new ATOM 0 HG2 GLN A 56 9.249 -4.172 -0.705 1.00 11.32 H new ATOM 0 HG3 GLN A 56 9.311 -3.192 0.747 1.00 11.32 H new ATOM 0 HE21 GLN A 56 10.715 -3.769 2.481 1.00 53.14 H new ATOM 0 HE22 GLN A 56 12.064 -4.881 2.222 1.00 53.14 H new ATOM 844 N GLY A 57 5.909 -7.182 -0.222 1.00 31.53 N ATOM 845 CA GLY A 57 4.571 -7.724 -0.071 1.00 52.21 C ATOM 846 C GLY A 57 4.001 -8.233 -1.380 1.00 53.11 C ATOM 847 O GLY A 57 2.825 -8.023 -1.676 1.00 54.53 O ATOM 0 H GLY A 57 6.171 -6.948 -1.179 1.00 31.53 H new ATOM 0 HA2 GLY A 57 4.592 -8.538 0.654 1.00 52.21 H new ATOM 0 HA3 GLY A 57 3.914 -6.954 0.333 1.00 52.21 H new ATOM 851 N SER A 58 4.836 -8.903 -2.167 1.00 24.42 N ATOM 852 CA SER A 58 4.410 -9.439 -3.454 1.00 62.23 C ATOM 853 C SER A 58 5.540 -10.220 -4.119 1.00 2.32 C ATOM 854 O SER A 58 5.486 -11.445 -4.224 1.00 21.43 O ATOM 855 CB SER A 58 3.947 -8.307 -4.374 1.00 25.33 C ATOM 856 OG SER A 58 2.896 -8.736 -5.221 1.00 62.45 O ATOM 0 H SER A 58 5.812 -9.088 -1.936 1.00 24.42 H new ATOM 0 HA SER A 58 3.576 -10.119 -3.278 1.00 62.23 H new ATOM 0 HB2 SER A 58 3.612 -7.461 -3.774 1.00 25.33 H new ATOM 0 HB3 SER A 58 4.785 -7.959 -4.977 1.00 25.33 H new ATOM 0 HG SER A 58 2.617 -7.994 -5.798 1.00 62.45 H new ATOM 862 N CYS A 59 6.564 -9.500 -4.567 1.00 31.45 N ATOM 863 CA CYS A 59 7.708 -10.123 -5.222 1.00 11.23 C ATOM 864 C CYS A 59 8.495 -10.985 -4.239 1.00 2.42 C ATOM 865 O CYS A 59 9.336 -11.789 -4.640 1.00 22.34 O ATOM 866 CB CYS A 59 8.621 -9.053 -5.824 1.00 62.42 C ATOM 867 SG CYS A 59 9.290 -9.484 -7.463 1.00 25.32 S ATOM 0 H CYS A 59 6.624 -8.485 -4.488 1.00 31.45 H new ATOM 0 HA CYS A 59 7.334 -10.764 -6.020 1.00 11.23 H new ATOM 0 HB2 CYS A 59 8.065 -8.119 -5.904 1.00 62.42 H new ATOM 0 HB3 CYS A 59 9.451 -8.872 -5.141 1.00 62.42 H new TER 872 CYS A 59