USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 641 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 58 THR OG1 : rot -170:sc= -0.308 USER MOD Set 1.2: A 60 ASN : amide:sc= -4.39! C(o=-4.7!,f=-2.6!) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0759 (180deg=0) USER MOD Single : A 2 SER OG : rot 40:sc= 1.23 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0512) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 25 GLN : amide:sc= -0.0298 K(o=-0.03,f=-1.4!) USER MOD Single : A 29 THR OG1 : rot -80:sc= 0.617 USER MOD Single : A 39 ASN : amide:sc= -0.0262 X(o=-0.026,f=0) USER MOD Single : A 50 TYR OH : rot -16:sc= 1.39 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -1.55 K(o=-1.5,f=-4.8!) USER MOD Single : A 63 GLN : amide:sc= -0.486 K(o=-0.49,f=-1.8) USER MOD Single : A 65 LYS NZ :NH3+ -116:sc= -0.011 (180deg=-0.212) USER MOD Single : A 66 THR OG1 : rot 116:sc= 1.25 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 147:sc= -0.725 (180deg=-2.18!) USER MOD Single : A 74 SER OG : rot 54:sc= 1.88 USER MOD Single : A 88 SER OG : rot -56:sc= 0.0713 USER MOD Single : A 91 SER OG : rot 46:sc= 0.783 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.537 25.161 37.063 1.00 0.00 N ATOM 2 CA GLY A 1 2.486 25.967 36.469 1.00 0.00 C ATOM 3 C GLY A 1 2.569 26.003 34.956 1.00 0.00 C ATOM 4 O GLY A 1 3.557 25.559 34.371 1.00 0.00 O ATOM 0 H1 GLY A 1 3.114 24.355 37.565 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.170 24.810 36.316 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.081 25.740 37.734 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.516 25.570 36.767 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.548 26.983 36.858 1.00 0.00 H new ATOM 8 N SER A 2 1.527 26.530 34.320 1.00 0.00 N ATOM 9 CA SER A 2 1.483 26.616 32.865 1.00 0.00 C ATOM 10 C SER A 2 0.302 27.467 32.407 1.00 0.00 C ATOM 11 O SER A 2 -0.603 27.763 33.187 1.00 0.00 O ATOM 12 CB SER A 2 1.387 25.218 32.253 1.00 0.00 C ATOM 13 OG SER A 2 2.674 24.652 32.069 1.00 0.00 O ATOM 0 H SER A 2 0.702 26.904 34.790 1.00 0.00 H new ATOM 0 HA SER A 2 2.404 27.090 32.525 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.792 24.574 32.901 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.870 25.272 31.295 1.00 0.00 H new ATOM 0 HG SER A 2 3.242 24.876 32.835 1.00 0.00 H new ATOM 19 N SER A 3 0.319 27.856 31.136 1.00 0.00 N ATOM 20 CA SER A 3 -0.747 28.676 30.574 1.00 0.00 C ATOM 21 C SER A 3 -0.707 28.648 29.049 1.00 0.00 C ATOM 22 O SER A 3 0.259 28.176 28.451 1.00 0.00 O ATOM 23 CB SER A 3 -0.629 30.117 31.072 1.00 0.00 C ATOM 24 OG SER A 3 0.634 30.668 30.743 1.00 0.00 O ATOM 0 H SER A 3 1.059 27.616 30.476 1.00 0.00 H new ATOM 0 HA SER A 3 -1.701 28.263 30.903 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.420 30.724 30.631 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.771 30.145 32.152 1.00 0.00 H new ATOM 0 HG SER A 3 0.684 31.590 31.071 1.00 0.00 H new ATOM 30 N GLY A 4 -1.764 29.159 28.425 1.00 0.00 N ATOM 31 CA GLY A 4 -1.830 29.183 26.976 1.00 0.00 C ATOM 32 C GLY A 4 -2.445 30.463 26.445 1.00 0.00 C ATOM 33 O GLY A 4 -3.198 31.136 27.148 1.00 0.00 O ATOM 0 H GLY A 4 -2.576 29.557 28.898 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.826 29.069 26.568 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.414 28.331 26.628 1.00 0.00 H new ATOM 37 N SER A 5 -2.121 30.802 25.201 1.00 0.00 N ATOM 38 CA SER A 5 -2.642 32.013 24.578 1.00 0.00 C ATOM 39 C SER A 5 -2.774 31.834 23.069 1.00 0.00 C ATOM 40 O SER A 5 -2.017 31.085 22.453 1.00 0.00 O ATOM 41 CB SER A 5 -1.730 33.203 24.885 1.00 0.00 C ATOM 42 OG SER A 5 -1.792 33.552 26.256 1.00 0.00 O ATOM 0 H SER A 5 -1.500 30.255 24.605 1.00 0.00 H new ATOM 0 HA SER A 5 -3.632 32.208 24.991 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.703 32.957 24.615 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.024 34.057 24.275 1.00 0.00 H new ATOM 0 HG SER A 5 -1.199 34.314 26.427 1.00 0.00 H new ATOM 48 N SER A 6 -3.742 32.529 22.479 1.00 0.00 N ATOM 49 CA SER A 6 -3.977 32.445 21.043 1.00 0.00 C ATOM 50 C SER A 6 -3.314 33.610 20.315 1.00 0.00 C ATOM 51 O SER A 6 -2.848 34.562 20.939 1.00 0.00 O ATOM 52 CB SER A 6 -5.479 32.434 20.750 1.00 0.00 C ATOM 53 OG SER A 6 -6.104 31.303 21.332 1.00 0.00 O ATOM 0 H SER A 6 -4.376 33.156 22.974 1.00 0.00 H new ATOM 0 HA SER A 6 -3.537 31.516 20.682 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.935 33.345 21.138 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.642 32.429 19.672 1.00 0.00 H new ATOM 0 HG SER A 6 -7.063 31.320 21.132 1.00 0.00 H new ATOM 59 N GLY A 7 -3.276 33.527 18.988 1.00 0.00 N ATOM 60 CA GLY A 7 -2.669 34.580 18.196 1.00 0.00 C ATOM 61 C GLY A 7 -2.830 34.351 16.706 1.00 0.00 C ATOM 62 O GLY A 7 -3.815 33.772 16.248 1.00 0.00 O ATOM 0 H GLY A 7 -3.655 32.749 18.448 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.118 35.537 18.464 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.608 34.647 18.438 1.00 0.00 H new ATOM 66 N PRO A 8 -1.845 34.814 15.922 1.00 0.00 N ATOM 67 CA PRO A 8 -1.859 34.669 14.464 1.00 0.00 C ATOM 68 C PRO A 8 -1.663 33.222 14.023 1.00 0.00 C ATOM 69 O PRO A 8 -1.596 32.930 12.829 1.00 0.00 O ATOM 70 CB PRO A 8 -0.679 35.531 14.010 1.00 0.00 C ATOM 71 CG PRO A 8 0.240 35.562 15.182 1.00 0.00 C ATOM 72 CD PRO A 8 -0.640 35.514 16.400 1.00 0.00 C ATOM 0 HA PRO A 8 -2.814 34.970 14.034 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.190 35.103 13.135 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.004 36.534 13.735 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.926 34.715 15.163 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.849 36.466 15.176 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.162 34.978 17.220 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.874 36.514 16.766 1.00 0.00 H new ATOM 80 N LYS A 9 -1.573 32.320 14.994 1.00 0.00 N ATOM 81 CA LYS A 9 -1.386 30.902 14.707 1.00 0.00 C ATOM 82 C LYS A 9 -2.107 30.508 13.422 1.00 0.00 C ATOM 83 O LYS A 9 -3.268 30.853 13.202 1.00 0.00 O ATOM 84 CB LYS A 9 -1.898 30.053 15.872 1.00 0.00 C ATOM 85 CG LYS A 9 -1.072 30.198 17.139 1.00 0.00 C ATOM 86 CD LYS A 9 0.197 29.364 17.076 1.00 0.00 C ATOM 87 CE LYS A 9 0.762 29.104 18.463 1.00 0.00 C ATOM 88 NZ LYS A 9 2.195 28.701 18.412 1.00 0.00 N ATOM 0 H LYS A 9 -1.627 32.545 15.987 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.319 30.721 14.575 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.930 30.331 16.087 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.906 29.005 15.571 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.813 31.246 17.287 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.667 29.892 17.999 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.014 28.414 16.584 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.942 29.878 16.469 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.659 30.003 19.071 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.182 28.321 18.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.543 28.533 19.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.291 27.829 17.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.753 29.459 17.970 1.00 0.00 H new ATOM 102 N PRO A 10 -1.405 29.766 12.552 1.00 0.00 N ATOM 103 CA PRO A 10 -1.960 29.307 11.275 1.00 0.00 C ATOM 104 C PRO A 10 -3.039 28.246 11.460 1.00 0.00 C ATOM 105 O PRO A 10 -3.300 27.799 12.578 1.00 0.00 O ATOM 106 CB PRO A 10 -0.747 28.716 10.553 1.00 0.00 C ATOM 107 CG PRO A 10 0.186 28.317 11.644 1.00 0.00 C ATOM 108 CD PRO A 10 -0.016 29.318 12.748 1.00 0.00 C ATOM 0 HA PRO A 10 -2.447 30.115 10.728 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -1.029 27.860 9.941 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.288 29.447 9.887 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.028 27.306 11.990 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.219 28.323 11.296 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.126 28.867 13.730 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.688 30.147 12.673 1.00 0.00 H new ATOM 116 N LEU A 11 -3.664 27.846 10.358 1.00 0.00 N ATOM 117 CA LEU A 11 -4.715 26.835 10.398 1.00 0.00 C ATOM 118 C LEU A 11 -4.257 25.545 9.725 1.00 0.00 C ATOM 119 O LEU A 11 -3.364 25.558 8.878 1.00 0.00 O ATOM 120 CB LEU A 11 -5.980 27.359 9.715 1.00 0.00 C ATOM 121 CG LEU A 11 -7.213 26.460 9.806 1.00 0.00 C ATOM 122 CD1 LEU A 11 -7.935 26.676 11.127 1.00 0.00 C ATOM 123 CD2 LEU A 11 -8.151 26.721 8.636 1.00 0.00 C ATOM 0 H LEU A 11 -3.461 28.206 9.426 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.937 26.618 11.443 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.228 28.328 10.149 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.756 27.529 8.662 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.885 25.421 9.759 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.810 26.028 11.174 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.263 26.439 11.952 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.250 27.717 11.204 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.023 26.072 8.717 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.471 27.763 8.652 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.631 26.515 7.700 1.00 0.00 H new ATOM 135 N LYS A 12 -4.876 24.433 10.107 1.00 0.00 N ATOM 136 CA LYS A 12 -4.536 23.134 9.539 1.00 0.00 C ATOM 137 C LYS A 12 -5.690 22.585 8.706 1.00 0.00 C ATOM 138 O LYS A 12 -6.846 22.636 9.122 1.00 0.00 O ATOM 139 CB LYS A 12 -4.180 22.146 10.651 1.00 0.00 C ATOM 140 CG LYS A 12 -3.772 20.775 10.139 1.00 0.00 C ATOM 141 CD LYS A 12 -2.317 20.753 9.700 1.00 0.00 C ATOM 142 CE LYS A 12 -1.375 20.729 10.894 1.00 0.00 C ATOM 143 NZ LYS A 12 -1.348 19.393 11.551 1.00 0.00 N ATOM 0 H LYS A 12 -5.616 24.406 10.808 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.672 23.265 8.888 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.366 22.560 11.246 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.037 22.036 11.316 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.928 20.032 10.921 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.410 20.494 9.301 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.137 19.878 9.076 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.107 21.630 9.087 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.369 20.994 10.569 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.685 21.483 11.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.566 19.359 12.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.249 19.231 12.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.210 18.655 10.831 1.00 0.00 H new ATOM 157 N ASN A 13 -5.367 22.059 7.529 1.00 0.00 N ATOM 158 CA ASN A 13 -6.377 21.499 6.639 1.00 0.00 C ATOM 159 C ASN A 13 -6.535 19.999 6.870 1.00 0.00 C ATOM 160 O ASN A 13 -5.672 19.207 6.488 1.00 0.00 O ATOM 161 CB ASN A 13 -6.004 21.765 5.179 1.00 0.00 C ATOM 162 CG ASN A 13 -6.179 23.222 4.795 1.00 0.00 C ATOM 163 OD1 ASN A 13 -7.223 23.822 5.049 1.00 0.00 O ATOM 164 ND2 ASN A 13 -5.153 23.798 4.178 1.00 0.00 N ATOM 0 H ASN A 13 -4.414 22.009 7.170 1.00 0.00 H new ATOM 0 HA ASN A 13 -7.328 21.984 6.859 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.968 21.470 5.012 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.621 21.144 4.530 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.212 24.776 3.895 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.306 23.262 3.988 1.00 0.00 H new ATOM 171 N LEU A 14 -7.641 19.616 7.496 1.00 0.00 N ATOM 172 CA LEU A 14 -7.914 18.210 7.778 1.00 0.00 C ATOM 173 C LEU A 14 -8.644 17.553 6.611 1.00 0.00 C ATOM 174 O LEU A 14 -9.545 16.738 6.810 1.00 0.00 O ATOM 175 CB LEU A 14 -8.745 18.077 9.055 1.00 0.00 C ATOM 176 CG LEU A 14 -7.957 17.945 10.358 1.00 0.00 C ATOM 177 CD1 LEU A 14 -7.158 16.650 10.370 1.00 0.00 C ATOM 178 CD2 LEU A 14 -7.037 19.142 10.550 1.00 0.00 C ATOM 0 H LEU A 14 -8.364 20.259 7.819 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.960 17.701 7.919 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.395 18.948 9.134 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.391 17.205 8.955 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.665 17.920 11.186 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.603 16.573 11.305 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.837 15.802 10.280 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.460 16.645 9.533 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.484 19.030 11.483 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.336 19.199 9.717 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.631 20.055 10.587 1.00 0.00 H new ATOM 190 N ASP A 15 -8.247 17.910 5.395 1.00 0.00 N ATOM 191 CA ASP A 15 -8.861 17.352 4.196 1.00 0.00 C ATOM 192 C ASP A 15 -9.129 15.860 4.366 1.00 0.00 C ATOM 193 O ASP A 15 -10.275 15.416 4.317 1.00 0.00 O ATOM 194 CB ASP A 15 -7.962 17.586 2.980 1.00 0.00 C ATOM 195 CG ASP A 15 -7.857 19.053 2.612 1.00 0.00 C ATOM 196 OD1 ASP A 15 -8.887 19.755 2.675 1.00 0.00 O ATOM 197 OD2 ASP A 15 -6.745 19.498 2.259 1.00 0.00 O ATOM 0 H ASP A 15 -7.503 18.583 5.213 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.813 17.858 4.037 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.966 17.194 3.187 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.354 17.028 2.129 1.00 0.00 H new ATOM 202 N GLY A 16 -8.063 15.091 4.566 1.00 0.00 N ATOM 203 CA GLY A 16 -8.204 13.658 4.739 1.00 0.00 C ATOM 204 C GLY A 16 -7.039 12.885 4.154 1.00 0.00 C ATOM 205 O GLY A 16 -6.575 11.909 4.743 1.00 0.00 O ATOM 0 H GLY A 16 -7.104 15.436 4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.290 13.430 5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.129 13.328 4.266 1.00 0.00 H new ATOM 209 N GLN A 17 -6.566 13.322 2.991 1.00 0.00 N ATOM 210 CA GLN A 17 -5.448 12.662 2.325 1.00 0.00 C ATOM 211 C GLN A 17 -4.425 12.167 3.342 1.00 0.00 C ATOM 212 O GLN A 17 -3.732 11.176 3.109 1.00 0.00 O ATOM 213 CB GLN A 17 -4.781 13.618 1.335 1.00 0.00 C ATOM 214 CG GLN A 17 -5.711 14.103 0.235 1.00 0.00 C ATOM 215 CD GLN A 17 -4.986 14.887 -0.840 1.00 0.00 C ATOM 216 OE1 GLN A 17 -3.918 15.451 -0.599 1.00 0.00 O ATOM 217 NE2 GLN A 17 -5.563 14.927 -2.035 1.00 0.00 N ATOM 0 H GLN A 17 -6.939 14.129 2.491 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.837 11.801 1.781 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.395 14.480 1.879 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.925 13.118 0.881 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.208 13.246 -0.219 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.489 14.728 0.672 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.448 14.445 -2.190 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.121 15.440 -2.798 1.00 0.00 H new ATOM 226 N PHE A 18 -4.333 12.864 4.469 1.00 0.00 N ATOM 227 CA PHE A 18 -3.392 12.497 5.521 1.00 0.00 C ATOM 228 C PHE A 18 -3.744 11.135 6.114 1.00 0.00 C ATOM 229 O PHE A 18 -4.851 10.929 6.612 1.00 0.00 O ATOM 230 CB PHE A 18 -3.386 13.558 6.623 1.00 0.00 C ATOM 231 CG PHE A 18 -3.134 14.949 6.114 1.00 0.00 C ATOM 232 CD1 PHE A 18 -4.180 15.735 5.661 1.00 0.00 C ATOM 233 CD2 PHE A 18 -1.850 15.469 6.089 1.00 0.00 C ATOM 234 CE1 PHE A 18 -3.952 17.015 5.192 1.00 0.00 C ATOM 235 CE2 PHE A 18 -1.615 16.748 5.622 1.00 0.00 C ATOM 236 CZ PHE A 18 -2.667 17.522 5.172 1.00 0.00 C ATOM 0 H PHE A 18 -4.899 13.687 4.678 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.397 12.436 5.079 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.345 13.537 7.141 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.621 13.304 7.357 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.186 15.343 5.674 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.024 14.868 6.438 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.777 17.618 4.842 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.610 17.142 5.609 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.485 18.521 4.805 1.00 0.00 H new ATOM 246 N CYS A 19 -2.794 10.208 6.055 1.00 0.00 N ATOM 247 CA CYS A 19 -3.001 8.865 6.583 1.00 0.00 C ATOM 248 C CYS A 19 -3.586 8.919 7.992 1.00 0.00 C ATOM 249 O CYS A 19 -3.383 9.890 8.721 1.00 0.00 O ATOM 250 CB CYS A 19 -1.682 8.090 6.596 1.00 0.00 C ATOM 251 SG CYS A 19 -1.789 6.453 7.388 1.00 0.00 S ATOM 0 H CYS A 19 -1.872 10.363 5.646 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.710 8.351 5.933 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -1.337 7.963 5.570 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.929 8.684 7.114 1.00 0.00 H new ATOM 256 N GLU A 20 -4.311 7.870 8.367 1.00 0.00 N ATOM 257 CA GLU A 20 -4.925 7.799 9.688 1.00 0.00 C ATOM 258 C GLU A 20 -4.143 6.860 10.601 1.00 0.00 C ATOM 259 O GLU A 20 -3.986 7.124 11.793 1.00 0.00 O ATOM 260 CB GLU A 20 -6.376 7.328 9.575 1.00 0.00 C ATOM 261 CG GLU A 20 -7.365 8.456 9.332 1.00 0.00 C ATOM 262 CD GLU A 20 -7.712 9.211 10.600 1.00 0.00 C ATOM 263 OE1 GLU A 20 -7.658 8.599 11.688 1.00 0.00 O ATOM 264 OE2 GLU A 20 -8.038 10.412 10.506 1.00 0.00 O ATOM 0 H GLU A 20 -4.488 7.058 7.775 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.908 8.798 10.123 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.453 6.607 8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.652 6.805 10.491 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.947 9.150 8.603 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.277 8.047 8.896 1.00 0.00 H new ATOM 271 N ILE A 21 -3.655 5.762 10.033 1.00 0.00 N ATOM 272 CA ILE A 21 -2.889 4.784 10.796 1.00 0.00 C ATOM 273 C ILE A 21 -1.784 5.458 11.602 1.00 0.00 C ATOM 274 O ILE A 21 -1.780 5.408 12.832 1.00 0.00 O ATOM 275 CB ILE A 21 -2.262 3.719 9.876 1.00 0.00 C ATOM 276 CG1 ILE A 21 -3.350 3.000 9.076 1.00 0.00 C ATOM 277 CG2 ILE A 21 -1.453 2.724 10.694 1.00 0.00 C ATOM 278 CD1 ILE A 21 -2.810 2.164 7.937 1.00 0.00 C ATOM 0 H ILE A 21 -3.776 5.528 9.048 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.587 4.298 11.478 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.591 4.215 9.175 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.920 2.359 9.748 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.044 3.739 8.676 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.016 1.978 10.031 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.658 3.249 11.223 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.105 2.231 11.415 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.637 1.684 7.414 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.265 2.804 7.243 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.139 1.401 8.332 1.00 0.00 H new ATOM 290 N CYS A 22 -0.849 6.089 10.900 1.00 0.00 N ATOM 291 CA CYS A 22 0.262 6.775 11.549 1.00 0.00 C ATOM 292 C CYS A 22 0.005 8.278 11.621 1.00 0.00 C ATOM 293 O CYS A 22 0.189 8.900 12.667 1.00 0.00 O ATOM 294 CB CYS A 22 1.566 6.505 10.796 1.00 0.00 C ATOM 295 SG CYS A 22 1.590 7.156 9.095 1.00 0.00 S ATOM 0 H CYS A 22 -0.838 6.140 9.881 1.00 0.00 H new ATOM 0 HA CYS A 22 0.351 6.390 12.565 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.393 6.945 11.354 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.739 5.429 10.765 1.00 0.00 H new ATOM 300 N GLY A 23 -0.422 8.854 10.502 1.00 0.00 N ATOM 301 CA GLY A 23 -0.697 10.279 10.459 1.00 0.00 C ATOM 302 C GLY A 23 -0.028 10.963 9.283 1.00 0.00 C ATOM 303 O GLY A 23 -0.628 11.818 8.632 1.00 0.00 O ATOM 0 H GLY A 23 -0.583 8.360 9.624 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.774 10.437 10.402 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.356 10.740 11.386 1.00 0.00 H new ATOM 307 N ASP A 24 1.217 10.588 9.012 1.00 0.00 N ATOM 308 CA ASP A 24 1.968 11.172 7.907 1.00 0.00 C ATOM 309 C ASP A 24 1.048 11.486 6.731 1.00 0.00 C ATOM 310 O ASP A 24 0.085 10.765 6.475 1.00 0.00 O ATOM 311 CB ASP A 24 3.081 10.223 7.461 1.00 0.00 C ATOM 312 CG ASP A 24 3.905 9.710 8.625 1.00 0.00 C ATOM 313 OD1 ASP A 24 4.332 10.535 9.460 1.00 0.00 O ATOM 314 OD2 ASP A 24 4.123 8.483 8.702 1.00 0.00 O ATOM 0 H ASP A 24 1.728 9.882 9.542 1.00 0.00 H new ATOM 0 HA ASP A 24 2.414 12.104 8.255 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.643 9.378 6.929 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.734 10.739 6.757 1.00 0.00 H new ATOM 319 N GLN A 25 1.353 12.567 6.021 1.00 0.00 N ATOM 320 CA GLN A 25 0.552 12.977 4.873 1.00 0.00 C ATOM 321 C GLN A 25 0.802 12.061 3.680 1.00 0.00 C ATOM 322 O GLN A 25 1.890 12.061 3.102 1.00 0.00 O ATOM 323 CB GLN A 25 0.869 14.425 4.494 1.00 0.00 C ATOM 324 CG GLN A 25 0.089 14.923 3.288 1.00 0.00 C ATOM 325 CD GLN A 25 0.633 16.227 2.739 1.00 0.00 C ATOM 326 OE1 GLN A 25 1.801 16.560 2.941 1.00 0.00 O ATOM 327 NE2 GLN A 25 -0.213 16.974 2.039 1.00 0.00 N ATOM 0 H GLN A 25 2.148 13.174 6.220 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.499 12.903 5.151 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.655 15.070 5.346 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.936 14.513 4.288 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.115 14.165 2.505 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.956 15.058 3.567 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.173 16.660 1.896 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.097 17.862 1.645 1.00 0.00 H new ATOM 336 N ILE A 26 -0.211 11.281 3.316 1.00 0.00 N ATOM 337 CA ILE A 26 -0.100 10.361 2.191 1.00 0.00 C ATOM 338 C ILE A 26 0.383 11.081 0.937 1.00 0.00 C ATOM 339 O ILE A 26 -0.286 11.980 0.428 1.00 0.00 O ATOM 340 CB ILE A 26 -1.446 9.676 1.890 1.00 0.00 C ATOM 341 CG1 ILE A 26 -1.925 8.885 3.109 1.00 0.00 C ATOM 342 CG2 ILE A 26 -1.318 8.766 0.678 1.00 0.00 C ATOM 343 CD1 ILE A 26 -3.295 8.269 2.930 1.00 0.00 C ATOM 0 H ILE A 26 -1.117 11.268 3.784 1.00 0.00 H new ATOM 0 HA ILE A 26 0.630 9.602 2.474 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.186 10.445 1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.206 8.095 3.325 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.943 9.545 3.976 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.278 8.289 0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.018 9.355 -0.189 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.567 8.001 0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.570 7.724 3.833 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.026 9.056 2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.278 7.583 2.083 1.00 0.00 H new ATOM 355 N GLY A 27 1.550 10.679 0.442 1.00 0.00 N ATOM 356 CA GLY A 27 2.102 11.295 -0.750 1.00 0.00 C ATOM 357 C GLY A 27 1.286 10.993 -1.990 1.00 0.00 C ATOM 358 O GLY A 27 0.068 10.825 -1.915 1.00 0.00 O ATOM 0 H GLY A 27 2.123 9.938 0.846 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.153 12.374 -0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.123 10.944 -0.897 1.00 0.00 H new ATOM 362 N LEU A 28 1.955 10.926 -3.136 1.00 0.00 N ATOM 363 CA LEU A 28 1.283 10.643 -4.399 1.00 0.00 C ATOM 364 C LEU A 28 1.718 9.292 -4.957 1.00 0.00 C ATOM 365 O LEU A 28 2.700 8.706 -4.501 1.00 0.00 O ATOM 366 CB LEU A 28 1.582 11.747 -5.416 1.00 0.00 C ATOM 367 CG LEU A 28 1.090 13.148 -5.050 1.00 0.00 C ATOM 368 CD1 LEU A 28 1.588 14.169 -6.061 1.00 0.00 C ATOM 369 CD2 LEU A 28 -0.429 13.175 -4.964 1.00 0.00 C ATOM 0 H LEU A 28 2.962 11.064 -3.216 1.00 0.00 H new ATOM 0 HA LEU A 28 0.210 10.609 -4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.660 11.791 -5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.137 11.465 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 28 1.493 13.410 -4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.228 15.160 -5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.678 14.169 -6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.215 13.911 -7.052 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.761 14.180 -4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.853 12.892 -5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.763 12.473 -4.200 1.00 0.00 H new ATOM 381 N THR A 29 0.980 8.802 -5.949 1.00 0.00 N ATOM 382 CA THR A 29 1.289 7.520 -6.570 1.00 0.00 C ATOM 383 C THR A 29 2.329 7.680 -7.673 1.00 0.00 C ATOM 384 O THR A 29 2.669 8.797 -8.062 1.00 0.00 O ATOM 385 CB THR A 29 0.027 6.863 -7.160 1.00 0.00 C ATOM 386 OG1 THR A 29 -0.507 7.681 -8.207 1.00 0.00 O ATOM 387 CG2 THR A 29 -1.028 6.654 -6.084 1.00 0.00 C ATOM 0 H THR A 29 0.164 9.274 -6.339 1.00 0.00 H new ATOM 0 HA THR A 29 1.691 6.878 -5.786 1.00 0.00 H new ATOM 0 HB THR A 29 0.306 5.891 -7.566 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.028 8.413 -7.816 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.910 6.189 -6.525 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.628 6.007 -5.303 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.303 7.616 -5.652 1.00 0.00 H new ATOM 395 N VAL A 30 2.829 6.556 -8.176 1.00 0.00 N ATOM 396 CA VAL A 30 3.829 6.571 -9.237 1.00 0.00 C ATOM 397 C VAL A 30 3.465 7.580 -10.320 1.00 0.00 C ATOM 398 O VAL A 30 4.328 8.289 -10.837 1.00 0.00 O ATOM 399 CB VAL A 30 3.988 5.180 -9.879 1.00 0.00 C ATOM 400 CG1 VAL A 30 5.003 5.227 -11.010 1.00 0.00 C ATOM 401 CG2 VAL A 30 4.393 4.154 -8.831 1.00 0.00 C ATOM 0 H VAL A 30 2.558 5.623 -7.866 1.00 0.00 H new ATOM 0 HA VAL A 30 4.774 6.860 -8.777 1.00 0.00 H new ATOM 0 HB VAL A 30 3.027 4.880 -10.297 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.102 4.235 -11.451 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.667 5.931 -11.771 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.969 5.548 -10.619 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.501 3.177 -9.301 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.342 4.448 -8.382 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.627 4.102 -8.058 1.00 0.00 H new ATOM 411 N GLU A 31 2.181 7.639 -10.659 1.00 0.00 N ATOM 412 CA GLU A 31 1.703 8.562 -11.682 1.00 0.00 C ATOM 413 C GLU A 31 1.521 9.964 -11.107 1.00 0.00 C ATOM 414 O GLU A 31 1.951 10.951 -11.702 1.00 0.00 O ATOM 415 CB GLU A 31 0.381 8.065 -12.272 1.00 0.00 C ATOM 416 CG GLU A 31 0.531 6.830 -13.145 1.00 0.00 C ATOM 417 CD GLU A 31 1.469 7.054 -14.315 1.00 0.00 C ATOM 418 OE1 GLU A 31 0.994 7.511 -15.376 1.00 0.00 O ATOM 419 OE2 GLU A 31 2.677 6.772 -14.171 1.00 0.00 O ATOM 0 H GLU A 31 1.454 7.059 -10.241 1.00 0.00 H new ATOM 0 HA GLU A 31 2.451 8.607 -12.473 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.310 7.843 -11.459 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.067 8.864 -12.862 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.903 6.004 -12.539 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.448 6.534 -13.521 1.00 0.00 H new ATOM 426 N GLY A 32 0.878 10.043 -9.946 1.00 0.00 N ATOM 427 CA GLY A 32 0.648 11.327 -9.311 1.00 0.00 C ATOM 428 C GLY A 32 -0.630 11.351 -8.496 1.00 0.00 C ATOM 429 O GLY A 32 -0.725 12.066 -7.498 1.00 0.00 O ATOM 0 H GLY A 32 0.512 9.240 -9.434 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.492 11.565 -8.664 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.603 12.103 -10.075 1.00 0.00 H new ATOM 433 N ASP A 33 -1.615 10.568 -8.921 1.00 0.00 N ATOM 434 CA ASP A 33 -2.895 10.503 -8.224 1.00 0.00 C ATOM 435 C ASP A 33 -2.694 10.165 -6.750 1.00 0.00 C ATOM 436 O ASP A 33 -1.659 9.619 -6.363 1.00 0.00 O ATOM 437 CB ASP A 33 -3.804 9.462 -8.880 1.00 0.00 C ATOM 438 CG ASP A 33 -3.987 9.707 -10.365 1.00 0.00 C ATOM 439 OD1 ASP A 33 -3.792 10.859 -10.804 1.00 0.00 O ATOM 440 OD2 ASP A 33 -4.327 8.746 -11.087 1.00 0.00 O ATOM 0 H ASP A 33 -1.552 9.969 -9.744 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.369 11.482 -8.292 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.382 8.468 -8.728 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.778 9.474 -8.390 1.00 0.00 H new ATOM 445 N LEU A 34 -3.688 10.493 -5.933 1.00 0.00 N ATOM 446 CA LEU A 34 -3.620 10.225 -4.500 1.00 0.00 C ATOM 447 C LEU A 34 -3.542 8.726 -4.230 1.00 0.00 C ATOM 448 O LEU A 34 -4.385 7.956 -4.689 1.00 0.00 O ATOM 449 CB LEU A 34 -4.839 10.819 -3.792 1.00 0.00 C ATOM 450 CG LEU A 34 -4.664 11.139 -2.308 1.00 0.00 C ATOM 451 CD1 LEU A 34 -4.574 9.858 -1.493 1.00 0.00 C ATOM 452 CD2 LEU A 34 -3.427 11.999 -2.090 1.00 0.00 C ATOM 0 H LEU A 34 -4.550 10.945 -6.237 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.716 10.694 -4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.124 11.735 -4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.670 10.122 -3.897 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.536 11.700 -1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.450 10.105 -0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.488 9.278 -1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.720 9.271 -1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.318 12.217 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.545 11.464 -2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.531 12.932 -2.643 1.00 0.00 H new ATOM 464 N PHE A 35 -2.524 8.318 -3.479 1.00 0.00 N ATOM 465 CA PHE A 35 -2.335 6.911 -3.146 1.00 0.00 C ATOM 466 C PHE A 35 -3.494 6.393 -2.299 1.00 0.00 C ATOM 467 O PHE A 35 -3.469 6.479 -1.072 1.00 0.00 O ATOM 468 CB PHE A 35 -1.015 6.715 -2.397 1.00 0.00 C ATOM 469 CG PHE A 35 -0.739 5.284 -2.033 1.00 0.00 C ATOM 470 CD1 PHE A 35 -0.596 4.320 -3.018 1.00 0.00 C ATOM 471 CD2 PHE A 35 -0.623 4.903 -0.706 1.00 0.00 C ATOM 472 CE1 PHE A 35 -0.343 3.002 -2.686 1.00 0.00 C ATOM 473 CE2 PHE A 35 -0.370 3.587 -0.368 1.00 0.00 C ATOM 474 CZ PHE A 35 -0.228 2.636 -1.359 1.00 0.00 C ATOM 0 H PHE A 35 -1.817 8.942 -3.090 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.305 6.344 -4.076 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.198 7.089 -3.014 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.029 7.316 -1.488 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.683 4.601 -4.057 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.732 5.643 0.073 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.235 2.260 -3.463 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.283 3.303 0.670 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.027 1.608 -1.097 1.00 0.00 H new ATOM 484 N VAL A 36 -4.511 5.854 -2.965 1.00 0.00 N ATOM 485 CA VAL A 36 -5.680 5.321 -2.276 1.00 0.00 C ATOM 486 C VAL A 36 -5.436 3.891 -1.807 1.00 0.00 C ATOM 487 O VAL A 36 -5.716 2.934 -2.528 1.00 0.00 O ATOM 488 CB VAL A 36 -6.926 5.347 -3.181 1.00 0.00 C ATOM 489 CG1 VAL A 36 -8.118 4.729 -2.467 1.00 0.00 C ATOM 490 CG2 VAL A 36 -7.236 6.771 -3.619 1.00 0.00 C ATOM 0 H VAL A 36 -4.548 5.775 -3.981 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.856 5.960 -1.411 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.719 4.754 -4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.989 4.756 -3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -7.891 3.695 -2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.330 5.292 -1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.119 6.771 -4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.423 7.389 -2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.388 7.174 -4.172 1.00 0.00 H new ATOM 500 N ALA A 37 -4.914 3.753 -0.592 1.00 0.00 N ATOM 501 CA ALA A 37 -4.635 2.440 -0.025 1.00 0.00 C ATOM 502 C ALA A 37 -5.881 1.562 -0.035 1.00 0.00 C ATOM 503 O ALA A 37 -5.827 0.394 -0.422 1.00 0.00 O ATOM 504 CB ALA A 37 -4.097 2.580 1.391 1.00 0.00 C ATOM 0 H ALA A 37 -4.676 4.535 0.018 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.878 1.958 -0.643 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.893 1.591 1.802 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.176 3.163 1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.836 3.086 2.013 1.00 0.00 H new ATOM 510 N CYS A 38 -7.003 2.130 0.393 1.00 0.00 N ATOM 511 CA CYS A 38 -8.264 1.399 0.435 1.00 0.00 C ATOM 512 C CYS A 38 -9.374 2.189 -0.251 1.00 0.00 C ATOM 513 O CYS A 38 -9.370 3.420 -0.243 1.00 0.00 O ATOM 514 CB CYS A 38 -8.656 1.100 1.884 1.00 0.00 C ATOM 515 SG CYS A 38 -9.891 -0.228 2.060 1.00 0.00 S ATOM 0 H CYS A 38 -7.065 3.095 0.716 1.00 0.00 H new ATOM 0 HA CYS A 38 -8.128 0.459 -0.099 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.761 0.826 2.442 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.049 2.010 2.338 1.00 0.00 H new ATOM 520 N ASN A 39 -10.323 1.473 -0.844 1.00 0.00 N ATOM 521 CA ASN A 39 -11.440 2.106 -1.535 1.00 0.00 C ATOM 522 C ASN A 39 -12.773 1.626 -0.970 1.00 0.00 C ATOM 523 O ASN A 39 -13.696 2.417 -0.774 1.00 0.00 O ATOM 524 CB ASN A 39 -11.373 1.810 -3.035 1.00 0.00 C ATOM 525 CG ASN A 39 -12.246 2.745 -3.849 1.00 0.00 C ATOM 526 OD1 ASN A 39 -13.242 2.327 -4.438 1.00 0.00 O ATOM 527 ND2 ASN A 39 -11.874 4.020 -3.885 1.00 0.00 N ATOM 0 H ASN A 39 -10.341 0.453 -0.860 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.367 3.182 -1.380 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.340 1.895 -3.373 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.683 0.780 -3.213 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.422 4.696 -4.416 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.040 4.322 -3.381 1.00 0.00 H new ATOM 534 N GLU A 40 -12.865 0.326 -0.709 1.00 0.00 N ATOM 535 CA GLU A 40 -14.086 -0.259 -0.166 1.00 0.00 C ATOM 536 C GLU A 40 -14.661 0.615 0.945 1.00 0.00 C ATOM 537 O GLU A 40 -15.791 1.095 0.851 1.00 0.00 O ATOM 538 CB GLU A 40 -13.809 -1.666 0.369 1.00 0.00 C ATOM 539 CG GLU A 40 -13.705 -2.721 -0.719 1.00 0.00 C ATOM 540 CD GLU A 40 -15.061 -3.169 -1.229 1.00 0.00 C ATOM 541 OE1 GLU A 40 -15.829 -2.307 -1.706 1.00 0.00 O ATOM 542 OE2 GLU A 40 -15.354 -4.380 -1.152 1.00 0.00 O ATOM 0 H GLU A 40 -12.110 -0.342 -0.864 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.818 -0.321 -0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.881 -1.652 0.940 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -14.604 -1.946 1.060 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.121 -2.324 -1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.163 -3.584 -0.332 1.00 0.00 H new ATOM 549 N CYS A 41 -13.875 0.819 1.996 1.00 0.00 N ATOM 550 CA CYS A 41 -14.304 1.634 3.126 1.00 0.00 C ATOM 551 C CYS A 41 -13.802 3.068 2.984 1.00 0.00 C ATOM 552 O CYS A 41 -14.500 4.019 3.335 1.00 0.00 O ATOM 553 CB CYS A 41 -13.796 1.032 4.438 1.00 0.00 C ATOM 554 SG CYS A 41 -12.049 1.402 4.799 1.00 0.00 S ATOM 0 H CYS A 41 -12.936 0.431 2.089 1.00 0.00 H new ATOM 0 HA CYS A 41 -15.394 1.648 3.138 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.412 1.403 5.258 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -13.928 -0.049 4.404 1.00 0.00 H new ATOM 559 N GLY A 42 -12.587 3.216 2.466 1.00 0.00 N ATOM 560 CA GLY A 42 -12.012 4.536 2.286 1.00 0.00 C ATOM 561 C GLY A 42 -11.064 4.914 3.407 1.00 0.00 C ATOM 562 O GLY A 42 -11.024 6.068 3.833 1.00 0.00 O ATOM 0 H GLY A 42 -11.990 2.445 2.168 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.478 4.570 1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.813 5.273 2.228 1.00 0.00 H new ATOM 566 N PHE A 43 -10.300 3.938 3.887 1.00 0.00 N ATOM 567 CA PHE A 43 -9.350 4.174 4.968 1.00 0.00 C ATOM 568 C PHE A 43 -8.033 4.722 4.424 1.00 0.00 C ATOM 569 O PHE A 43 -7.345 4.080 3.631 1.00 0.00 O ATOM 570 CB PHE A 43 -9.095 2.879 5.742 1.00 0.00 C ATOM 571 CG PHE A 43 -8.280 3.076 6.988 1.00 0.00 C ATOM 572 CD1 PHE A 43 -8.689 3.971 7.965 1.00 0.00 C ATOM 573 CD2 PHE A 43 -7.106 2.368 7.184 1.00 0.00 C ATOM 574 CE1 PHE A 43 -7.940 4.155 9.112 1.00 0.00 C ATOM 575 CE2 PHE A 43 -6.353 2.547 8.329 1.00 0.00 C ATOM 576 CZ PHE A 43 -6.772 3.441 9.295 1.00 0.00 C ATOM 0 H PHE A 43 -10.320 2.977 3.545 1.00 0.00 H new ATOM 0 HA PHE A 43 -9.781 4.914 5.642 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.052 2.431 6.010 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.583 2.171 5.091 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.603 4.530 7.828 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.775 1.667 6.432 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.268 4.857 9.865 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.439 1.989 8.468 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.187 3.581 10.192 1.00 0.00 H new ATOM 586 N PRO A 44 -7.674 5.938 4.861 1.00 0.00 N ATOM 587 CA PRO A 44 -6.439 6.601 4.432 1.00 0.00 C ATOM 588 C PRO A 44 -5.193 5.924 4.994 1.00 0.00 C ATOM 589 O PRO A 44 -4.905 6.025 6.186 1.00 0.00 O ATOM 590 CB PRO A 44 -6.580 8.016 4.999 1.00 0.00 C ATOM 591 CG PRO A 44 -7.494 7.867 6.166 1.00 0.00 C ATOM 592 CD PRO A 44 -8.447 6.760 5.808 1.00 0.00 C ATOM 0 HA PRO A 44 -6.315 6.571 3.349 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.614 8.419 5.302 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.993 8.700 4.258 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.936 7.624 7.070 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.030 8.795 6.362 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.746 6.188 6.686 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.359 7.146 5.353 1.00 0.00 H new ATOM 600 N ALA A 45 -4.458 5.235 4.127 1.00 0.00 N ATOM 601 CA ALA A 45 -3.242 4.544 4.537 1.00 0.00 C ATOM 602 C ALA A 45 -2.090 4.850 3.586 1.00 0.00 C ATOM 603 O ALA A 45 -2.130 4.489 2.409 1.00 0.00 O ATOM 604 CB ALA A 45 -3.486 3.044 4.608 1.00 0.00 C ATOM 0 H ALA A 45 -4.684 5.141 3.137 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.966 4.903 5.528 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.569 2.540 4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.274 2.837 5.332 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.790 2.678 3.627 1.00 0.00 H new ATOM 610 N CYS A 46 -1.064 5.518 4.103 1.00 0.00 N ATOM 611 CA CYS A 46 0.100 5.874 3.300 1.00 0.00 C ATOM 612 C CYS A 46 0.713 4.636 2.652 1.00 0.00 C ATOM 613 O CYS A 46 0.208 3.525 2.811 1.00 0.00 O ATOM 614 CB CYS A 46 1.145 6.582 4.165 1.00 0.00 C ATOM 615 SG CYS A 46 1.694 5.615 5.608 1.00 0.00 S ATOM 0 H CYS A 46 -1.015 5.824 5.075 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.227 6.551 2.511 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.012 6.818 3.548 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.733 7.530 4.512 1.00 0.00 H new ATOM 620 N ARG A 47 1.805 4.837 1.921 1.00 0.00 N ATOM 621 CA ARG A 47 2.487 3.738 1.248 1.00 0.00 C ATOM 622 C ARG A 47 3.107 2.781 2.262 1.00 0.00 C ATOM 623 O ARG A 47 2.892 1.570 2.221 1.00 0.00 O ATOM 624 CB ARG A 47 3.569 4.278 0.312 1.00 0.00 C ATOM 625 CG ARG A 47 3.792 3.419 -0.922 1.00 0.00 C ATOM 626 CD ARG A 47 4.232 4.257 -2.112 1.00 0.00 C ATOM 627 NE ARG A 47 5.334 5.154 -1.773 1.00 0.00 N ATOM 628 CZ ARG A 47 5.577 6.293 -2.411 1.00 0.00 C ATOM 629 NH1 ARG A 47 4.799 6.673 -3.416 1.00 0.00 N ATOM 630 NH2 ARG A 47 6.599 7.055 -2.045 1.00 0.00 N ATOM 0 H ARG A 47 2.236 5.751 1.780 1.00 0.00 H new ATOM 0 HA ARG A 47 1.749 3.190 0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.296 5.286 -0.002 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.506 4.358 0.862 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.548 2.663 -0.709 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.872 2.889 -1.169 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.538 3.599 -2.925 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.387 4.842 -2.475 1.00 0.00 H new ATOM 0 HE ARG A 47 5.951 4.891 -1.004 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.012 6.090 -3.700 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.988 7.548 -3.904 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.199 6.766 -1.273 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.785 7.930 -2.536 1.00 0.00 H new ATOM 644 N PRO A 48 3.896 3.336 3.194 1.00 0.00 N ATOM 645 CA PRO A 48 4.564 2.550 4.236 1.00 0.00 C ATOM 646 C PRO A 48 3.582 1.992 5.260 1.00 0.00 C ATOM 647 O PRO A 48 3.981 1.516 6.323 1.00 0.00 O ATOM 648 CB PRO A 48 5.506 3.561 4.894 1.00 0.00 C ATOM 649 CG PRO A 48 4.876 4.887 4.639 1.00 0.00 C ATOM 650 CD PRO A 48 4.198 4.773 3.302 1.00 0.00 C ATOM 0 HA PRO A 48 5.073 1.678 3.825 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.608 3.370 5.962 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.506 3.509 4.464 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.158 5.135 5.421 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.624 5.679 4.631 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.293 5.378 3.258 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.846 5.109 2.493 1.00 0.00 H new ATOM 658 N CYS A 49 2.295 2.053 4.933 1.00 0.00 N ATOM 659 CA CYS A 49 1.255 1.553 5.824 1.00 0.00 C ATOM 660 C CYS A 49 0.455 0.439 5.156 1.00 0.00 C ATOM 661 O CYS A 49 0.137 -0.573 5.782 1.00 0.00 O ATOM 662 CB CYS A 49 0.319 2.691 6.237 1.00 0.00 C ATOM 663 SG CYS A 49 0.775 3.497 7.806 1.00 0.00 S ATOM 0 H CYS A 49 1.948 2.444 4.057 1.00 0.00 H new ATOM 0 HA CYS A 49 1.737 1.146 6.713 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.305 3.441 5.446 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.695 2.300 6.323 1.00 0.00 H new ATOM 668 N TYR A 50 0.135 0.631 3.881 1.00 0.00 N ATOM 669 CA TYR A 50 -0.629 -0.356 3.128 1.00 0.00 C ATOM 670 C TYR A 50 0.253 -1.532 2.718 1.00 0.00 C ATOM 671 O TYR A 50 -0.104 -2.691 2.923 1.00 0.00 O ATOM 672 CB TYR A 50 -1.250 0.287 1.887 1.00 0.00 C ATOM 673 CG TYR A 50 -1.824 -0.714 0.909 1.00 0.00 C ATOM 674 CD1 TYR A 50 -0.998 -1.582 0.207 1.00 0.00 C ATOM 675 CD2 TYR A 50 -3.194 -0.791 0.688 1.00 0.00 C ATOM 676 CE1 TYR A 50 -1.518 -2.497 -0.687 1.00 0.00 C ATOM 677 CE2 TYR A 50 -3.723 -1.704 -0.204 1.00 0.00 C ATOM 678 CZ TYR A 50 -2.881 -2.554 -0.889 1.00 0.00 C ATOM 679 OH TYR A 50 -3.403 -3.465 -1.779 1.00 0.00 O ATOM 0 H TYR A 50 0.393 1.461 3.348 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.425 -0.730 3.772 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.039 0.971 2.199 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.492 0.884 1.380 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.070 -1.541 0.363 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.856 -0.126 1.222 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.861 -3.164 -1.225 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.790 -1.752 -0.364 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.688 -3.804 -2.357 1.00 0.00 H new ATOM 689 N GLU A 51 1.408 -1.221 2.137 1.00 0.00 N ATOM 690 CA GLU A 51 2.343 -2.251 1.698 1.00 0.00 C ATOM 691 C GLU A 51 2.678 -3.205 2.842 1.00 0.00 C ATOM 692 O GLU A 51 2.545 -4.422 2.709 1.00 0.00 O ATOM 693 CB GLU A 51 3.624 -1.612 1.160 1.00 0.00 C ATOM 694 CG GLU A 51 3.511 -1.141 -0.280 1.00 0.00 C ATOM 695 CD GLU A 51 2.328 -0.217 -0.500 1.00 0.00 C ATOM 696 OE1 GLU A 51 2.382 0.938 -0.030 1.00 0.00 O ATOM 697 OE2 GLU A 51 1.350 -0.651 -1.143 1.00 0.00 O ATOM 0 H GLU A 51 1.718 -0.266 1.960 1.00 0.00 H new ATOM 0 HA GLU A 51 1.868 -2.821 0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.890 -0.764 1.791 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.439 -2.332 1.235 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.428 -0.624 -0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.418 -2.007 -0.935 1.00 0.00 H new ATOM 704 N TYR A 52 3.114 -2.643 3.964 1.00 0.00 N ATOM 705 CA TYR A 52 3.472 -3.442 5.129 1.00 0.00 C ATOM 706 C TYR A 52 2.373 -4.448 5.459 1.00 0.00 C ATOM 707 O TYR A 52 2.649 -5.562 5.903 1.00 0.00 O ATOM 708 CB TYR A 52 3.728 -2.537 6.335 1.00 0.00 C ATOM 709 CG TYR A 52 3.379 -3.179 7.659 1.00 0.00 C ATOM 710 CD1 TYR A 52 4.159 -4.200 8.186 1.00 0.00 C ATOM 711 CD2 TYR A 52 2.268 -2.762 8.384 1.00 0.00 C ATOM 712 CE1 TYR A 52 3.843 -4.790 9.395 1.00 0.00 C ATOM 713 CE2 TYR A 52 1.946 -3.345 9.594 1.00 0.00 C ATOM 714 CZ TYR A 52 2.736 -4.359 10.095 1.00 0.00 C ATOM 715 OH TYR A 52 2.419 -4.942 11.300 1.00 0.00 O ATOM 0 H TYR A 52 3.228 -1.637 4.091 1.00 0.00 H new ATOM 0 HA TYR A 52 4.384 -3.991 4.894 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.779 -2.249 6.346 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.148 -1.621 6.221 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.028 -4.539 7.641 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.647 -1.969 7.994 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.460 -5.584 9.789 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.080 -3.009 10.145 1.00 0.00 H new ATOM 0 HH TYR A 52 1.611 -4.523 11.664 1.00 0.00 H new ATOM 725 N GLU A 53 1.125 -4.045 5.236 1.00 0.00 N ATOM 726 CA GLU A 53 -0.016 -4.911 5.509 1.00 0.00 C ATOM 727 C GLU A 53 0.111 -6.232 4.756 1.00 0.00 C ATOM 728 O GLU A 53 -0.152 -7.301 5.308 1.00 0.00 O ATOM 729 CB GLU A 53 -1.320 -4.212 5.118 1.00 0.00 C ATOM 730 CG GLU A 53 -2.567 -4.955 5.565 1.00 0.00 C ATOM 731 CD GLU A 53 -2.961 -4.628 6.993 1.00 0.00 C ATOM 732 OE1 GLU A 53 -2.194 -4.981 7.914 1.00 0.00 O ATOM 733 OE2 GLU A 53 -4.034 -4.021 7.189 1.00 0.00 O ATOM 0 H GLU A 53 0.879 -3.126 4.868 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.032 -5.122 6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.329 -3.211 5.550 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.347 -4.092 4.035 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.392 -4.706 4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.398 -6.028 5.475 1.00 0.00 H new ATOM 740 N ARG A 54 0.515 -6.150 3.493 1.00 0.00 N ATOM 741 CA ARG A 54 0.675 -7.338 2.663 1.00 0.00 C ATOM 742 C ARG A 54 1.996 -8.038 2.965 1.00 0.00 C ATOM 743 O ARG A 54 2.099 -9.261 2.866 1.00 0.00 O ATOM 744 CB ARG A 54 0.611 -6.964 1.181 1.00 0.00 C ATOM 745 CG ARG A 54 -0.805 -6.785 0.659 1.00 0.00 C ATOM 746 CD ARG A 54 -0.823 -6.007 -0.647 1.00 0.00 C ATOM 747 NE ARG A 54 -0.668 -6.881 -1.807 1.00 0.00 N ATOM 748 CZ ARG A 54 0.510 -7.265 -2.286 1.00 0.00 C ATOM 749 NH1 ARG A 54 1.630 -6.854 -1.707 1.00 0.00 N ATOM 750 NH2 ARG A 54 0.569 -8.061 -3.345 1.00 0.00 N ATOM 0 H ARG A 54 0.738 -5.273 3.022 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.141 -8.023 2.893 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.167 -6.040 1.024 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.109 -7.738 0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.265 -7.762 0.508 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.405 -6.262 1.404 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.761 -5.458 -0.729 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.021 -5.268 -0.640 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.511 -7.215 -2.275 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.588 -6.242 -0.892 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.533 -7.150 -2.076 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.291 -8.379 -3.793 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.474 -8.355 -3.712 1.00 0.00 H new ATOM 764 N ARG A 55 3.004 -7.255 3.334 1.00 0.00 N ATOM 765 CA ARG A 55 4.320 -7.799 3.649 1.00 0.00 C ATOM 766 C ARG A 55 4.269 -8.641 4.920 1.00 0.00 C ATOM 767 O ARG A 55 4.407 -9.863 4.872 1.00 0.00 O ATOM 768 CB ARG A 55 5.337 -6.669 3.813 1.00 0.00 C ATOM 769 CG ARG A 55 6.765 -7.084 3.500 1.00 0.00 C ATOM 770 CD ARG A 55 7.335 -7.982 4.587 1.00 0.00 C ATOM 771 NE ARG A 55 8.653 -8.501 4.232 1.00 0.00 N ATOM 772 CZ ARG A 55 9.517 -8.981 5.120 1.00 0.00 C ATOM 773 NH1 ARG A 55 9.204 -9.007 6.408 1.00 0.00 N ATOM 774 NH2 ARG A 55 10.698 -9.435 4.720 1.00 0.00 N ATOM 0 H ARG A 55 2.935 -6.241 3.422 1.00 0.00 H new ATOM 0 HA ARG A 55 4.629 -8.438 2.822 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.057 -5.842 3.161 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.292 -6.297 4.837 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.792 -7.606 2.544 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.389 -6.196 3.396 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.405 -7.423 5.520 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.653 -8.814 4.764 1.00 0.00 H new ATOM 0 HE ARG A 55 8.925 -8.495 3.249 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.298 -8.658 6.720 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.869 -9.376 7.087 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.943 -9.416 3.730 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.361 -9.803 5.402 1.00 0.00 H new ATOM 788 N GLU A 56 4.072 -7.979 6.056 1.00 0.00 N ATOM 789 CA GLU A 56 4.005 -8.667 7.339 1.00 0.00 C ATOM 790 C GLU A 56 2.565 -8.754 7.836 1.00 0.00 C ATOM 791 O GLU A 56 2.169 -9.741 8.454 1.00 0.00 O ATOM 792 CB GLU A 56 4.871 -7.946 8.376 1.00 0.00 C ATOM 793 CG GLU A 56 6.354 -8.252 8.249 1.00 0.00 C ATOM 794 CD GLU A 56 7.176 -7.618 9.353 1.00 0.00 C ATOM 795 OE1 GLU A 56 7.493 -6.415 9.240 1.00 0.00 O ATOM 796 OE2 GLU A 56 7.504 -8.324 10.330 1.00 0.00 O ATOM 0 H GLU A 56 3.956 -6.967 6.113 1.00 0.00 H new ATOM 0 HA GLU A 56 4.385 -9.679 7.199 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.721 -6.871 8.278 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.535 -8.225 9.375 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.501 -9.332 8.266 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.713 -7.896 7.283 1.00 0.00 H new ATOM 803 N GLY A 57 1.786 -7.713 7.560 1.00 0.00 N ATOM 804 CA GLY A 57 0.399 -7.691 7.986 1.00 0.00 C ATOM 805 C GLY A 57 -0.364 -8.922 7.539 1.00 0.00 C ATOM 806 O GLY A 57 0.230 -9.900 7.084 1.00 0.00 O ATOM 0 H GLY A 57 2.091 -6.884 7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.357 -7.616 9.073 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.087 -6.801 7.586 1.00 0.00 H new ATOM 810 N THR A 58 -1.687 -8.877 7.671 1.00 0.00 N ATOM 811 CA THR A 58 -2.532 -9.998 7.281 1.00 0.00 C ATOM 812 C THR A 58 -3.363 -9.658 6.049 1.00 0.00 C ATOM 813 O THR A 58 -4.456 -10.191 5.860 1.00 0.00 O ATOM 814 CB THR A 58 -3.477 -10.414 8.425 1.00 0.00 C ATOM 815 OG1 THR A 58 -4.348 -9.328 8.760 1.00 0.00 O ATOM 816 CG2 THR A 58 -2.686 -10.834 9.654 1.00 0.00 C ATOM 0 H THR A 58 -2.195 -8.076 8.045 1.00 0.00 H new ATOM 0 HA THR A 58 -1.866 -10.829 7.049 1.00 0.00 H new ATOM 0 HB THR A 58 -4.070 -11.264 8.086 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.834 -9.540 9.584 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.374 -11.123 10.448 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.045 -11.679 9.403 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.071 -10.001 9.993 1.00 0.00 H new ATOM 824 N GLN A 59 -2.837 -8.767 5.214 1.00 0.00 N ATOM 825 CA GLN A 59 -3.532 -8.356 4.000 1.00 0.00 C ATOM 826 C GLN A 59 -4.998 -8.053 4.288 1.00 0.00 C ATOM 827 O GLN A 59 -5.879 -8.390 3.497 1.00 0.00 O ATOM 828 CB GLN A 59 -3.424 -9.446 2.932 1.00 0.00 C ATOM 829 CG GLN A 59 -1.992 -9.838 2.605 1.00 0.00 C ATOM 830 CD GLN A 59 -1.901 -11.170 1.888 1.00 0.00 C ATOM 831 OE1 GLN A 59 -2.825 -11.572 1.179 1.00 0.00 O ATOM 832 NE2 GLN A 59 -0.784 -11.865 2.068 1.00 0.00 N ATOM 0 H GLN A 59 -1.933 -8.317 5.356 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.058 -7.447 3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.965 -10.329 3.270 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.914 -9.101 2.022 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.540 -9.064 1.984 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.413 -9.886 3.527 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.043 -11.495 2.664 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.667 -12.769 1.610 1.00 0.00 H new ATOM 841 N ASN A 60 -5.254 -7.416 5.426 1.00 0.00 N ATOM 842 CA ASN A 60 -6.614 -7.068 5.819 1.00 0.00 C ATOM 843 C ASN A 60 -6.678 -5.640 6.352 1.00 0.00 C ATOM 844 O ASN A 60 -6.044 -5.311 7.355 1.00 0.00 O ATOM 845 CB ASN A 60 -7.126 -8.044 6.880 1.00 0.00 C ATOM 846 CG ASN A 60 -6.879 -9.492 6.501 1.00 0.00 C ATOM 847 OD1 ASN A 60 -6.929 -9.855 5.326 1.00 0.00 O ATOM 848 ND2 ASN A 60 -6.610 -10.327 7.498 1.00 0.00 N ATOM 0 H ASN A 60 -4.537 -7.130 6.092 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.249 -7.136 4.936 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.637 -7.832 7.831 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.194 -7.887 7.029 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.435 -11.313 7.304 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.579 -9.982 8.458 1.00 0.00 H new ATOM 855 N CYS A 61 -7.449 -4.796 5.676 1.00 0.00 N ATOM 856 CA CYS A 61 -7.598 -3.403 6.080 1.00 0.00 C ATOM 857 C CYS A 61 -7.955 -3.302 7.560 1.00 0.00 C ATOM 858 O CYS A 61 -8.863 -3.972 8.053 1.00 0.00 O ATOM 859 CB CYS A 61 -8.674 -2.717 5.236 1.00 0.00 C ATOM 860 SG CYS A 61 -8.946 -0.966 5.659 1.00 0.00 S ATOM 0 H CYS A 61 -7.981 -5.053 4.845 1.00 0.00 H new ATOM 0 HA CYS A 61 -6.645 -2.900 5.919 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.395 -2.787 4.185 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.613 -3.258 5.353 1.00 0.00 H new ATOM 865 N PRO A 62 -7.225 -2.443 8.288 1.00 0.00 N ATOM 866 CA PRO A 62 -7.447 -2.232 9.721 1.00 0.00 C ATOM 867 C PRO A 62 -8.760 -1.510 10.005 1.00 0.00 C ATOM 868 O PRO A 62 -9.064 -1.186 11.153 1.00 0.00 O ATOM 869 CB PRO A 62 -6.258 -1.365 10.141 1.00 0.00 C ATOM 870 CG PRO A 62 -5.847 -0.658 8.895 1.00 0.00 C ATOM 871 CD PRO A 62 -6.128 -1.611 7.766 1.00 0.00 C ATOM 0 HA PRO A 62 -7.518 -3.174 10.265 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.539 -0.659 10.923 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.445 -1.973 10.538 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.405 0.270 8.771 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.790 -0.392 8.928 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.421 -1.084 6.858 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.252 -2.210 7.518 1.00 0.00 H new ATOM 879 N GLN A 63 -9.532 -1.261 8.953 1.00 0.00 N ATOM 880 CA GLN A 63 -10.812 -0.576 9.090 1.00 0.00 C ATOM 881 C GLN A 63 -11.958 -1.462 8.613 1.00 0.00 C ATOM 882 O GLN A 63 -13.023 -1.502 9.228 1.00 0.00 O ATOM 883 CB GLN A 63 -10.801 0.734 8.300 1.00 0.00 C ATOM 884 CG GLN A 63 -12.168 1.391 8.192 1.00 0.00 C ATOM 885 CD GLN A 63 -12.084 2.902 8.111 1.00 0.00 C ATOM 886 OE1 GLN A 63 -11.431 3.544 8.935 1.00 0.00 O ATOM 887 NE2 GLN A 63 -12.746 3.480 7.116 1.00 0.00 N ATOM 0 H GLN A 63 -9.294 -1.523 7.996 1.00 0.00 H new ATOM 0 HA GLN A 63 -10.965 -0.354 10.146 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.109 1.430 8.775 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.420 0.541 7.297 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -12.681 1.011 7.308 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -12.771 1.110 9.055 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -13.274 2.910 6.456 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.726 4.494 7.012 1.00 0.00 H new ATOM 896 N CYS A 64 -11.731 -2.171 7.512 1.00 0.00 N ATOM 897 CA CYS A 64 -12.744 -3.057 6.950 1.00 0.00 C ATOM 898 C CYS A 64 -12.212 -4.481 6.825 1.00 0.00 C ATOM 899 O CYS A 64 -12.980 -5.432 6.677 1.00 0.00 O ATOM 900 CB CYS A 64 -13.195 -2.547 5.580 1.00 0.00 C ATOM 901 SG CYS A 64 -11.863 -2.478 4.338 1.00 0.00 S ATOM 0 H CYS A 64 -10.854 -2.149 6.991 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.599 -3.065 7.626 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -13.991 -3.192 5.208 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -13.620 -1.550 5.697 1.00 0.00 H new ATOM 906 N LYS A 65 -10.893 -4.622 6.887 1.00 0.00 N ATOM 907 CA LYS A 65 -10.256 -5.929 6.783 1.00 0.00 C ATOM 908 C LYS A 65 -10.656 -6.627 5.487 1.00 0.00 C ATOM 909 O LYS A 65 -11.051 -7.794 5.494 1.00 0.00 O ATOM 910 CB LYS A 65 -10.635 -6.801 7.983 1.00 0.00 C ATOM 911 CG LYS A 65 -9.803 -6.524 9.223 1.00 0.00 C ATOM 912 CD LYS A 65 -10.269 -5.267 9.938 1.00 0.00 C ATOM 913 CE LYS A 65 -11.264 -5.591 11.042 1.00 0.00 C ATOM 914 NZ LYS A 65 -12.672 -5.477 10.571 1.00 0.00 N ATOM 0 H LYS A 65 -10.243 -3.846 7.009 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.176 -5.780 6.777 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.687 -6.642 8.219 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.525 -7.850 7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.866 -7.374 9.902 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.755 -6.417 8.943 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.409 -4.748 10.362 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.729 -4.588 9.220 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.084 -6.602 11.408 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.106 -4.915 11.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.151 -4.714 11.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.681 -5.262 9.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.168 -6.375 10.739 1.00 0.00 H new ATOM 928 N THR A 66 -10.550 -5.907 4.375 1.00 0.00 N ATOM 929 CA THR A 66 -10.901 -6.457 3.072 1.00 0.00 C ATOM 930 C THR A 66 -9.661 -6.938 2.326 1.00 0.00 C ATOM 931 O THR A 66 -8.590 -6.341 2.435 1.00 0.00 O ATOM 932 CB THR A 66 -11.638 -5.420 2.204 1.00 0.00 C ATOM 933 OG1 THR A 66 -12.741 -4.868 2.931 1.00 0.00 O ATOM 934 CG2 THR A 66 -12.139 -6.052 0.914 1.00 0.00 C ATOM 0 H THR A 66 -10.224 -4.941 4.351 1.00 0.00 H new ATOM 0 HA THR A 66 -11.563 -7.303 3.255 1.00 0.00 H new ATOM 0 HB THR A 66 -10.936 -4.625 1.951 1.00 0.00 H new ATOM 0 HG1 THR A 66 -12.587 -3.912 3.083 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.656 -5.300 0.318 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.294 -6.445 0.349 1.00 0.00 H new ATOM 0 HG23 THR A 66 -12.827 -6.864 1.150 1.00 0.00 H new ATOM 942 N ARG A 67 -9.813 -8.019 1.570 1.00 0.00 N ATOM 943 CA ARG A 67 -8.705 -8.580 0.806 1.00 0.00 C ATOM 944 C ARG A 67 -7.955 -7.486 0.052 1.00 0.00 C ATOM 945 O ARG A 67 -8.560 -6.676 -0.651 1.00 0.00 O ATOM 946 CB ARG A 67 -9.217 -9.634 -0.178 1.00 0.00 C ATOM 947 CG ARG A 67 -10.302 -9.120 -1.110 1.00 0.00 C ATOM 948 CD ARG A 67 -10.312 -9.881 -2.426 1.00 0.00 C ATOM 949 NE ARG A 67 -11.336 -9.381 -3.340 1.00 0.00 N ATOM 950 CZ ARG A 67 -12.593 -9.808 -3.339 1.00 0.00 C ATOM 951 NH1 ARG A 67 -12.980 -10.738 -2.477 1.00 0.00 N ATOM 952 NH2 ARG A 67 -13.467 -9.305 -4.202 1.00 0.00 N ATOM 0 H ARG A 67 -10.693 -8.525 1.470 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.016 -9.052 1.507 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.381 -9.999 -0.774 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.604 -10.485 0.383 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.274 -9.215 -0.626 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.145 -8.059 -1.303 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.333 -9.800 -2.899 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.485 -10.939 -2.231 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.071 -8.665 -4.016 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.311 -11.127 -1.812 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -13.946 -11.064 -2.478 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -13.173 -8.590 -4.867 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -14.433 -9.634 -4.200 1.00 0.00 H new ATOM 966 N TYR A 68 -6.636 -7.467 0.204 1.00 0.00 N ATOM 967 CA TYR A 68 -5.804 -6.471 -0.459 1.00 0.00 C ATOM 968 C TYR A 68 -5.558 -6.849 -1.917 1.00 0.00 C ATOM 969 O TYR A 68 -5.991 -7.906 -2.378 1.00 0.00 O ATOM 970 CB TYR A 68 -4.469 -6.321 0.272 1.00 0.00 C ATOM 971 CG TYR A 68 -4.468 -5.224 1.312 1.00 0.00 C ATOM 972 CD1 TYR A 68 -5.495 -5.122 2.243 1.00 0.00 C ATOM 973 CD2 TYR A 68 -3.441 -4.289 1.364 1.00 0.00 C ATOM 974 CE1 TYR A 68 -5.498 -4.121 3.195 1.00 0.00 C ATOM 975 CE2 TYR A 68 -3.436 -3.286 2.313 1.00 0.00 C ATOM 976 CZ TYR A 68 -4.467 -3.205 3.226 1.00 0.00 C ATOM 977 OH TYR A 68 -4.466 -2.206 4.173 1.00 0.00 O ATOM 0 H TYR A 68 -6.120 -8.131 0.781 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.334 -5.519 -0.433 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.220 -7.267 0.753 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.685 -6.119 -0.458 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.304 -5.837 2.222 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.633 -4.348 0.650 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.304 -4.056 3.911 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.629 -2.569 2.340 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.669 -1.647 4.058 1.00 0.00 H new ATOM 987 N LYS A 69 -4.860 -5.979 -2.638 1.00 0.00 N ATOM 988 CA LYS A 69 -4.553 -6.220 -4.043 1.00 0.00 C ATOM 989 C LYS A 69 -3.188 -5.646 -4.408 1.00 0.00 C ATOM 990 O LYS A 69 -2.831 -4.548 -3.981 1.00 0.00 O ATOM 991 CB LYS A 69 -5.633 -5.602 -4.935 1.00 0.00 C ATOM 992 CG LYS A 69 -5.471 -4.106 -5.138 1.00 0.00 C ATOM 993 CD LYS A 69 -5.921 -3.325 -3.915 1.00 0.00 C ATOM 994 CE LYS A 69 -7.414 -3.040 -3.953 1.00 0.00 C ATOM 995 NZ LYS A 69 -8.216 -4.228 -3.548 1.00 0.00 N ATOM 0 H LYS A 69 -4.496 -5.099 -2.272 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.529 -7.298 -4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.616 -6.096 -5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.611 -5.797 -4.495 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.427 -3.878 -5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.051 -3.791 -6.006 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.680 -3.888 -3.014 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.372 -2.385 -3.860 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.641 -2.205 -3.290 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.700 -2.735 -4.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.077 -3.914 -3.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.479 -4.774 -4.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.653 -4.826 -2.911 1.00 0.00 H new ATOM 1009 N ARG A 70 -2.429 -6.396 -5.200 1.00 0.00 N ATOM 1010 CA ARG A 70 -1.103 -5.962 -5.622 1.00 0.00 C ATOM 1011 C ARG A 70 -1.151 -4.550 -6.200 1.00 0.00 C ATOM 1012 O ARG A 70 -1.782 -4.310 -7.230 1.00 0.00 O ATOM 1013 CB ARG A 70 -0.532 -6.930 -6.661 1.00 0.00 C ATOM 1014 CG ARG A 70 0.987 -6.980 -6.677 1.00 0.00 C ATOM 1015 CD ARG A 70 1.494 -8.342 -7.123 1.00 0.00 C ATOM 1016 NE ARG A 70 1.637 -8.425 -8.574 1.00 0.00 N ATOM 1017 CZ ARG A 70 2.715 -8.014 -9.232 1.00 0.00 C ATOM 1018 NH1 ARG A 70 3.740 -7.494 -8.571 1.00 0.00 N ATOM 1019 NH2 ARG A 70 2.770 -8.123 -10.553 1.00 0.00 N ATOM 0 H ARG A 70 -2.710 -7.307 -5.562 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.455 -5.956 -4.746 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.918 -7.930 -6.464 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.888 -6.640 -7.650 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.371 -6.210 -7.347 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.370 -6.756 -5.681 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.456 -8.543 -6.652 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.805 -9.115 -6.782 1.00 0.00 H new ATOM 0 HE ARG A 70 0.866 -8.821 -9.112 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.702 -7.409 -7.555 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.567 -7.179 -9.078 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.984 -8.523 -11.065 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.599 -7.807 -11.057 1.00 0.00 H new ATOM 1033 N LEU A 71 -0.482 -3.619 -5.529 1.00 0.00 N ATOM 1034 CA LEU A 71 -0.449 -2.230 -5.974 1.00 0.00 C ATOM 1035 C LEU A 71 0.857 -1.923 -6.701 1.00 0.00 C ATOM 1036 O LEU A 71 1.698 -2.802 -6.885 1.00 0.00 O ATOM 1037 CB LEU A 71 -0.616 -1.287 -4.781 1.00 0.00 C ATOM 1038 CG LEU A 71 -1.998 -1.271 -4.128 1.00 0.00 C ATOM 1039 CD1 LEU A 71 -2.080 -0.172 -3.079 1.00 0.00 C ATOM 1040 CD2 LEU A 71 -3.083 -1.090 -5.179 1.00 0.00 C ATOM 0 H LEU A 71 0.045 -3.801 -4.675 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.275 -2.077 -6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.119 -1.558 -4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.378 -0.275 -5.107 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.156 -2.229 -3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.071 -0.176 -2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.328 -0.346 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.900 0.795 -3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.060 -1.081 -4.696 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.929 -0.147 -5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.039 -1.913 -5.893 1.00 0.00 H new ATOM 1052 N ARG A 72 1.019 -0.669 -7.110 1.00 0.00 N ATOM 1053 CA ARG A 72 2.222 -0.245 -7.815 1.00 0.00 C ATOM 1054 C ARG A 72 3.475 -0.616 -7.026 1.00 0.00 C ATOM 1055 O ARG A 72 4.417 -1.189 -7.571 1.00 0.00 O ATOM 1056 CB ARG A 72 2.191 1.265 -8.060 1.00 0.00 C ATOM 1057 CG ARG A 72 1.106 1.702 -9.031 1.00 0.00 C ATOM 1058 CD ARG A 72 -0.206 1.980 -8.314 1.00 0.00 C ATOM 1059 NE ARG A 72 -1.074 2.866 -9.084 1.00 0.00 N ATOM 1060 CZ ARG A 72 -2.396 2.894 -8.955 1.00 0.00 C ATOM 1061 NH1 ARG A 72 -2.998 2.090 -8.090 1.00 0.00 N ATOM 1062 NH2 ARG A 72 -3.118 3.729 -9.692 1.00 0.00 N ATOM 0 H ARG A 72 0.332 0.071 -6.965 1.00 0.00 H new ATOM 0 HA ARG A 72 2.250 -0.762 -8.774 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.043 1.776 -7.109 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.160 1.582 -8.445 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.430 2.598 -9.560 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.954 0.926 -9.782 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.723 1.039 -8.127 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.000 2.429 -7.342 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.642 3.498 -9.758 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.446 1.448 -7.521 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.013 2.114 -7.993 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.658 4.350 -10.358 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.133 3.750 -9.592 1.00 0.00 H new ATOM 1076 N GLY A 73 3.476 -0.286 -5.738 1.00 0.00 N ATOM 1077 CA GLY A 73 4.618 -0.592 -4.895 1.00 0.00 C ATOM 1078 C GLY A 73 4.550 -1.990 -4.313 1.00 0.00 C ATOM 1079 O GLY A 73 5.345 -2.858 -4.672 1.00 0.00 O ATOM 0 H GLY A 73 2.707 0.187 -5.263 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.534 -0.488 -5.477 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.672 0.134 -4.084 1.00 0.00 H new ATOM 1083 N SER A 74 3.599 -2.208 -3.410 1.00 0.00 N ATOM 1084 CA SER A 74 3.434 -3.509 -2.772 1.00 0.00 C ATOM 1085 C SER A 74 3.718 -4.637 -3.759 1.00 0.00 C ATOM 1086 O SER A 74 2.892 -4.977 -4.607 1.00 0.00 O ATOM 1087 CB SER A 74 2.018 -3.650 -2.212 1.00 0.00 C ATOM 1088 OG SER A 74 1.085 -3.917 -3.245 1.00 0.00 O ATOM 0 H SER A 74 2.931 -1.500 -3.104 1.00 0.00 H new ATOM 0 HA SER A 74 4.149 -3.578 -1.952 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.993 -4.455 -1.478 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.737 -2.735 -1.691 1.00 0.00 H new ATOM 0 HG SER A 74 1.380 -4.698 -3.758 1.00 0.00 H new ATOM 1094 N PRO A 75 4.914 -5.233 -3.647 1.00 0.00 N ATOM 1095 CA PRO A 75 5.336 -6.333 -4.520 1.00 0.00 C ATOM 1096 C PRO A 75 4.561 -7.618 -4.249 1.00 0.00 C ATOM 1097 O PRO A 75 3.685 -7.655 -3.385 1.00 0.00 O ATOM 1098 CB PRO A 75 6.815 -6.516 -4.171 1.00 0.00 C ATOM 1099 CG PRO A 75 6.942 -6.002 -2.778 1.00 0.00 C ATOM 1100 CD PRO A 75 5.948 -4.880 -2.659 1.00 0.00 C ATOM 0 HA PRO A 75 5.157 -6.110 -5.572 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.110 -7.563 -4.235 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.455 -5.962 -4.857 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.733 -6.787 -2.052 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.955 -5.649 -2.583 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.536 -4.814 -1.652 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.403 -3.915 -2.881 1.00 0.00 H new ATOM 1108 N ARG A 76 4.889 -8.669 -4.992 1.00 0.00 N ATOM 1109 CA ARG A 76 4.223 -9.956 -4.832 1.00 0.00 C ATOM 1110 C ARG A 76 4.399 -10.486 -3.412 1.00 0.00 C ATOM 1111 O ARG A 76 5.421 -10.244 -2.770 1.00 0.00 O ATOM 1112 CB ARG A 76 4.775 -10.969 -5.838 1.00 0.00 C ATOM 1113 CG ARG A 76 3.982 -12.264 -5.895 1.00 0.00 C ATOM 1114 CD ARG A 76 4.682 -13.309 -6.750 1.00 0.00 C ATOM 1115 NE ARG A 76 5.833 -13.894 -6.066 1.00 0.00 N ATOM 1116 CZ ARG A 76 5.750 -14.942 -5.254 1.00 0.00 C ATOM 1117 NH1 ARG A 76 4.578 -15.517 -5.026 1.00 0.00 N ATOM 1118 NH2 ARG A 76 6.843 -15.417 -4.669 1.00 0.00 N ATOM 0 H ARG A 76 5.612 -8.655 -5.711 1.00 0.00 H new ATOM 0 HA ARG A 76 3.159 -9.812 -5.019 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.786 -10.515 -6.829 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.809 -11.197 -5.581 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.843 -12.652 -4.886 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.989 -12.067 -6.300 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.976 -14.097 -7.010 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.009 -12.853 -7.685 1.00 0.00 H new ATOM 0 HE ARG A 76 6.750 -13.475 -6.220 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.736 -15.155 -5.475 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.517 -16.322 -4.402 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.747 -14.977 -4.843 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.779 -16.222 -4.046 1.00 0.00 H new ATOM 1132 N VAL A 77 3.395 -11.210 -2.928 1.00 0.00 N ATOM 1133 CA VAL A 77 3.438 -11.775 -1.584 1.00 0.00 C ATOM 1134 C VAL A 77 2.704 -13.110 -1.525 1.00 0.00 C ATOM 1135 O VAL A 77 2.199 -13.596 -2.536 1.00 0.00 O ATOM 1136 CB VAL A 77 2.819 -10.814 -0.551 1.00 0.00 C ATOM 1137 CG1 VAL A 77 3.663 -9.556 -0.420 1.00 0.00 C ATOM 1138 CG2 VAL A 77 1.388 -10.470 -0.936 1.00 0.00 C ATOM 0 H VAL A 77 2.542 -11.419 -3.446 1.00 0.00 H new ATOM 0 HA VAL A 77 4.489 -11.931 -1.340 1.00 0.00 H new ATOM 0 HB VAL A 77 2.800 -11.312 0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.210 -8.889 0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.668 -9.824 -0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.716 -9.051 -1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.965 -9.790 -0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.380 -9.991 -1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.792 -11.382 -0.973 1.00 0.00 H new ATOM 1148 N GLU A 78 2.647 -13.696 -0.333 1.00 0.00 N ATOM 1149 CA GLU A 78 1.974 -14.975 -0.143 1.00 0.00 C ATOM 1150 C GLU A 78 0.465 -14.782 -0.018 1.00 0.00 C ATOM 1151 O GLU A 78 -0.174 -15.357 0.862 1.00 0.00 O ATOM 1152 CB GLU A 78 2.514 -15.680 1.103 1.00 0.00 C ATOM 1153 CG GLU A 78 3.816 -16.426 0.865 1.00 0.00 C ATOM 1154 CD GLU A 78 4.473 -16.880 2.154 1.00 0.00 C ATOM 1155 OE1 GLU A 78 5.145 -16.051 2.802 1.00 0.00 O ATOM 1156 OE2 GLU A 78 4.314 -18.065 2.514 1.00 0.00 O ATOM 0 H GLU A 78 3.059 -13.305 0.515 1.00 0.00 H new ATOM 0 HA GLU A 78 2.173 -15.595 -1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.667 -14.942 1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.764 -16.382 1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.623 -17.294 0.235 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.505 -15.782 0.318 1.00 0.00 H new ATOM 1163 N GLY A 79 -0.097 -13.969 -0.907 1.00 0.00 N ATOM 1164 CA GLY A 79 -1.525 -13.714 -0.880 1.00 0.00 C ATOM 1165 C GLY A 79 -2.017 -13.034 -2.142 1.00 0.00 C ATOM 1166 O GLY A 79 -2.857 -12.135 -2.084 1.00 0.00 O ATOM 0 H GLY A 79 0.411 -13.482 -1.645 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.057 -14.656 -0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.763 -13.090 -0.018 1.00 0.00 H new ATOM 1170 N ASP A 80 -1.492 -13.461 -3.285 1.00 0.00 N ATOM 1171 CA ASP A 80 -1.883 -12.886 -4.568 1.00 0.00 C ATOM 1172 C ASP A 80 -2.131 -13.981 -5.601 1.00 0.00 C ATOM 1173 O ASP A 80 -1.832 -15.151 -5.362 1.00 0.00 O ATOM 1174 CB ASP A 80 -0.802 -11.928 -5.071 1.00 0.00 C ATOM 1175 CG ASP A 80 -1.357 -10.869 -6.004 1.00 0.00 C ATOM 1176 OD1 ASP A 80 -1.884 -9.854 -5.504 1.00 0.00 O ATOM 1177 OD2 ASP A 80 -1.262 -11.056 -7.235 1.00 0.00 O ATOM 0 H ASP A 80 -0.795 -14.203 -3.350 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.810 -12.332 -4.423 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.324 -11.444 -4.219 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.029 -12.496 -5.589 1.00 0.00 H new ATOM 1182 N GLU A 81 -2.679 -13.592 -6.748 1.00 0.00 N ATOM 1183 CA GLU A 81 -2.968 -14.542 -7.816 1.00 0.00 C ATOM 1184 C GLU A 81 -2.070 -14.292 -9.024 1.00 0.00 C ATOM 1185 O GLU A 81 -2.443 -14.586 -10.160 1.00 0.00 O ATOM 1186 CB GLU A 81 -4.438 -14.445 -8.230 1.00 0.00 C ATOM 1187 CG GLU A 81 -5.016 -15.756 -8.736 1.00 0.00 C ATOM 1188 CD GLU A 81 -6.162 -15.552 -9.707 1.00 0.00 C ATOM 1189 OE1 GLU A 81 -7.225 -15.059 -9.277 1.00 0.00 O ATOM 1190 OE2 GLU A 81 -5.995 -15.887 -10.899 1.00 0.00 O ATOM 0 H GLU A 81 -2.931 -12.627 -6.961 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.769 -15.545 -7.439 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.025 -14.104 -7.377 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.538 -13.689 -9.009 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.229 -16.331 -9.224 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.364 -16.347 -7.888 1.00 0.00 H new ATOM 1197 N ASP A 82 -0.885 -13.747 -8.770 1.00 0.00 N ATOM 1198 CA ASP A 82 0.067 -13.458 -9.836 1.00 0.00 C ATOM 1199 C ASP A 82 1.301 -14.348 -9.719 1.00 0.00 C ATOM 1200 O ASP A 82 1.764 -14.639 -8.617 1.00 0.00 O ATOM 1201 CB ASP A 82 0.479 -11.985 -9.795 1.00 0.00 C ATOM 1202 CG ASP A 82 -0.650 -11.057 -10.197 1.00 0.00 C ATOM 1203 OD1 ASP A 82 -1.825 -11.431 -9.996 1.00 0.00 O ATOM 1204 OD2 ASP A 82 -0.360 -9.957 -10.712 1.00 0.00 O ATOM 0 H ASP A 82 -0.561 -13.497 -7.836 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.419 -13.665 -10.790 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.813 -11.732 -8.789 1.00 0.00 H new ATOM 0 HB3 ASP A 82 1.328 -11.829 -10.461 1.00 0.00 H new ATOM 1209 N GLU A 83 1.826 -14.776 -10.862 1.00 0.00 N ATOM 1210 CA GLU A 83 3.005 -15.634 -10.886 1.00 0.00 C ATOM 1211 C GLU A 83 4.173 -14.934 -11.574 1.00 0.00 C ATOM 1212 O GLU A 83 3.994 -14.250 -12.581 1.00 0.00 O ATOM 1213 CB GLU A 83 2.691 -16.950 -11.602 1.00 0.00 C ATOM 1214 CG GLU A 83 2.023 -17.983 -10.711 1.00 0.00 C ATOM 1215 CD GLU A 83 2.722 -18.140 -9.375 1.00 0.00 C ATOM 1216 OE1 GLU A 83 3.950 -18.367 -9.372 1.00 0.00 O ATOM 1217 OE2 GLU A 83 2.042 -18.037 -8.333 1.00 0.00 O ATOM 0 H GLU A 83 1.454 -14.543 -11.783 1.00 0.00 H new ATOM 0 HA GLU A 83 3.288 -15.848 -9.855 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.043 -16.745 -12.454 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.616 -17.368 -11.998 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.985 -17.695 -10.542 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.008 -18.945 -11.224 1.00 0.00 H new ATOM 1224 N GLU A 84 5.370 -15.111 -11.022 1.00 0.00 N ATOM 1225 CA GLU A 84 6.567 -14.496 -11.582 1.00 0.00 C ATOM 1226 C GLU A 84 7.823 -15.224 -11.113 1.00 0.00 C ATOM 1227 O GLU A 84 7.909 -15.660 -9.965 1.00 0.00 O ATOM 1228 CB GLU A 84 6.642 -13.020 -11.185 1.00 0.00 C ATOM 1229 CG GLU A 84 7.556 -12.195 -12.075 1.00 0.00 C ATOM 1230 CD GLU A 84 6.850 -11.670 -13.310 1.00 0.00 C ATOM 1231 OE1 GLU A 84 5.946 -12.368 -13.817 1.00 0.00 O ATOM 1232 OE2 GLU A 84 7.199 -10.563 -13.768 1.00 0.00 O ATOM 0 H GLU A 84 5.536 -15.675 -10.188 1.00 0.00 H new ATOM 0 HA GLU A 84 6.509 -14.571 -12.668 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.639 -12.594 -11.214 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.990 -12.947 -10.155 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.953 -11.356 -11.504 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.407 -12.804 -12.379 1.00 0.00 H new ATOM 1239 N ASP A 85 8.795 -15.352 -12.010 1.00 0.00 N ATOM 1240 CA ASP A 85 10.047 -16.027 -11.689 1.00 0.00 C ATOM 1241 C ASP A 85 10.851 -15.225 -10.670 1.00 0.00 C ATOM 1242 O ASP A 85 11.194 -14.067 -10.909 1.00 0.00 O ATOM 1243 CB ASP A 85 10.876 -16.241 -12.957 1.00 0.00 C ATOM 1244 CG ASP A 85 10.051 -16.801 -14.099 1.00 0.00 C ATOM 1245 OD1 ASP A 85 9.421 -16.003 -14.824 1.00 0.00 O ATOM 1246 OD2 ASP A 85 10.037 -18.038 -14.269 1.00 0.00 O ATOM 0 H ASP A 85 8.740 -14.997 -12.965 1.00 0.00 H new ATOM 0 HA ASP A 85 9.807 -16.997 -11.254 1.00 0.00 H new ATOM 0 HB2 ASP A 85 11.319 -15.293 -13.263 1.00 0.00 H new ATOM 0 HB3 ASP A 85 11.699 -16.921 -12.739 1.00 0.00 H new ATOM 1251 N ILE A 86 11.148 -15.849 -9.535 1.00 0.00 N ATOM 1252 CA ILE A 86 11.912 -15.193 -8.481 1.00 0.00 C ATOM 1253 C ILE A 86 13.397 -15.148 -8.824 1.00 0.00 C ATOM 1254 O ILE A 86 13.830 -15.716 -9.827 1.00 0.00 O ATOM 1255 CB ILE A 86 11.731 -15.906 -7.128 1.00 0.00 C ATOM 1256 CG1 ILE A 86 12.248 -17.343 -7.211 1.00 0.00 C ATOM 1257 CG2 ILE A 86 10.267 -15.888 -6.711 1.00 0.00 C ATOM 1258 CD1 ILE A 86 12.722 -17.892 -5.883 1.00 0.00 C ATOM 0 H ILE A 86 10.871 -16.807 -9.322 1.00 0.00 H new ATOM 0 HA ILE A 86 11.529 -14.176 -8.401 1.00 0.00 H new ATOM 0 HB ILE A 86 12.310 -15.374 -6.374 1.00 0.00 H new ATOM 0 HG12 ILE A 86 11.456 -17.984 -7.598 1.00 0.00 H new ATOM 0 HG13 ILE A 86 13.069 -17.384 -7.926 1.00 0.00 H new ATOM 0 HG21 ILE A 86 10.155 -16.396 -5.753 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.928 -14.856 -6.617 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.668 -16.399 -7.464 1.00 0.00 H new ATOM 0 HD11 ILE A 86 13.075 -18.915 -6.017 1.00 0.00 H new ATOM 0 HD12 ILE A 86 13.536 -17.274 -5.504 1.00 0.00 H new ATOM 0 HD13 ILE A 86 11.897 -17.883 -5.170 1.00 0.00 H new ATOM 1270 N ASP A 87 14.172 -14.472 -7.984 1.00 0.00 N ATOM 1271 CA ASP A 87 15.610 -14.355 -8.197 1.00 0.00 C ATOM 1272 C ASP A 87 16.333 -15.613 -7.724 1.00 0.00 C ATOM 1273 O ASP A 87 17.353 -15.534 -7.040 1.00 0.00 O ATOM 1274 CB ASP A 87 16.158 -13.131 -7.462 1.00 0.00 C ATOM 1275 CG ASP A 87 15.695 -13.065 -6.020 1.00 0.00 C ATOM 1276 OD1 ASP A 87 15.423 -14.135 -5.436 1.00 0.00 O ATOM 1277 OD2 ASP A 87 15.605 -11.945 -5.475 1.00 0.00 O ATOM 0 H ASP A 87 13.829 -13.997 -7.149 1.00 0.00 H new ATOM 0 HA ASP A 87 15.786 -14.236 -9.266 1.00 0.00 H new ATOM 0 HB2 ASP A 87 17.247 -13.152 -7.490 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.843 -12.227 -7.983 1.00 0.00 H new ATOM 1282 N SER A 88 15.797 -16.771 -8.094 1.00 0.00 N ATOM 1283 CA SER A 88 16.388 -18.046 -7.704 1.00 0.00 C ATOM 1284 C SER A 88 16.953 -17.973 -6.289 1.00 0.00 C ATOM 1285 O SER A 88 18.042 -18.477 -6.016 1.00 0.00 O ATOM 1286 CB SER A 88 17.492 -18.442 -8.686 1.00 0.00 C ATOM 1287 OG SER A 88 17.802 -19.821 -8.576 1.00 0.00 O ATOM 0 H SER A 88 14.955 -16.853 -8.663 1.00 0.00 H new ATOM 0 HA SER A 88 15.604 -18.803 -7.725 1.00 0.00 H new ATOM 0 HB2 SER A 88 17.175 -18.217 -9.704 1.00 0.00 H new ATOM 0 HB3 SER A 88 18.386 -17.849 -8.492 1.00 0.00 H new ATOM 0 HG SER A 88 18.051 -20.027 -7.651 1.00 0.00 H new ATOM 1293 N GLY A 89 16.204 -17.339 -5.391 1.00 0.00 N ATOM 1294 CA GLY A 89 16.646 -17.210 -4.015 1.00 0.00 C ATOM 1295 C GLY A 89 15.488 -17.117 -3.041 1.00 0.00 C ATOM 1296 O GLY A 89 14.468 -16.484 -3.314 1.00 0.00 O ATOM 0 H GLY A 89 15.299 -16.913 -5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 89 17.268 -18.066 -3.755 1.00 0.00 H new ATOM 0 HA3 GLY A 89 17.270 -16.322 -3.919 1.00 0.00 H new ATOM 1300 N PRO A 90 15.638 -17.761 -1.874 1.00 0.00 N ATOM 1301 CA PRO A 90 14.606 -17.764 -0.833 1.00 0.00 C ATOM 1302 C PRO A 90 14.446 -16.400 -0.171 1.00 0.00 C ATOM 1303 O PRO A 90 15.235 -15.486 -0.412 1.00 0.00 O ATOM 1304 CB PRO A 90 15.124 -18.791 0.178 1.00 0.00 C ATOM 1305 CG PRO A 90 16.601 -18.802 -0.018 1.00 0.00 C ATOM 1306 CD PRO A 90 16.827 -18.536 -1.480 1.00 0.00 C ATOM 0 HA PRO A 90 13.622 -18.001 -1.236 1.00 0.00 H new ATOM 0 HB2 PRO A 90 14.862 -18.510 1.198 1.00 0.00 H new ATOM 0 HB3 PRO A 90 14.693 -19.776 -0.002 1.00 0.00 H new ATOM 0 HG2 PRO A 90 17.082 -18.040 0.596 1.00 0.00 H new ATOM 0 HG3 PRO A 90 17.026 -19.762 0.274 1.00 0.00 H new ATOM 0 HD2 PRO A 90 17.746 -17.975 -1.649 1.00 0.00 H new ATOM 0 HD3 PRO A 90 16.910 -19.462 -2.049 1.00 0.00 H new ATOM 1314 N SER A 91 13.420 -16.269 0.664 1.00 0.00 N ATOM 1315 CA SER A 91 13.155 -15.014 1.358 1.00 0.00 C ATOM 1316 C SER A 91 13.515 -15.124 2.837 1.00 0.00 C ATOM 1317 O SER A 91 12.699 -15.547 3.656 1.00 0.00 O ATOM 1318 CB SER A 91 11.683 -14.625 1.208 1.00 0.00 C ATOM 1319 OG SER A 91 10.833 -15.635 1.723 1.00 0.00 O ATOM 0 H SER A 91 12.759 -17.016 0.876 1.00 0.00 H new ATOM 0 HA SER A 91 13.776 -14.240 0.907 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.497 -13.687 1.731 1.00 0.00 H new ATOM 0 HB3 SER A 91 11.454 -14.454 0.156 1.00 0.00 H new ATOM 0 HG SER A 91 11.171 -15.936 2.592 1.00 0.00 H new ATOM 1325 N SER A 92 14.743 -14.741 3.170 1.00 0.00 N ATOM 1326 CA SER A 92 15.214 -14.799 4.549 1.00 0.00 C ATOM 1327 C SER A 92 14.148 -14.284 5.510 1.00 0.00 C ATOM 1328 O SER A 92 13.279 -13.501 5.129 1.00 0.00 O ATOM 1329 CB SER A 92 16.498 -13.982 4.707 1.00 0.00 C ATOM 1330 OG SER A 92 17.324 -14.520 5.725 1.00 0.00 O ATOM 0 H SER A 92 15.430 -14.387 2.504 1.00 0.00 H new ATOM 0 HA SER A 92 15.423 -15.841 4.791 1.00 0.00 H new ATOM 0 HB2 SER A 92 17.042 -13.968 3.763 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.248 -12.948 4.946 1.00 0.00 H new ATOM 0 HG SER A 92 18.138 -13.981 5.805 1.00 0.00 H new ATOM 1336 N GLY A 93 14.221 -14.730 6.761 1.00 0.00 N ATOM 1337 CA GLY A 93 13.257 -14.304 7.758 1.00 0.00 C ATOM 1338 C GLY A 93 13.916 -13.836 9.040 1.00 0.00 C ATOM 1339 O GLY A 93 14.657 -12.854 9.008 1.00 0.00 O ATOM 0 H GLY A 93 14.931 -15.379 7.101 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.650 -13.496 7.350 1.00 0.00 H new ATOM 0 HA3 GLY A 93 12.581 -15.129 7.981 1.00 0.00 H new TER 1343 GLY A 93 HETATM 1344 ZN ZN A 201 0.450 5.837 7.543 1.00 0.00 ZN HETATM 1345 ZN ZN A 401 -10.747 -0.436 4.213 1.00 0.00 ZN