USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 586 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 30 ASN : amide:sc= -2.17! K(o=-2.4!,f=-3.1) USER MOD Set 1.2: A 32 THR OG1 : rot -111:sc= -0.18! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 42:sc= 0.217 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 ASN : amide:sc= -0.815 K(o=-0.82,f=-6!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0889 K(o=-0.089,f=-1.7!) USER MOD Single : A 17 ASN : amide:sc= -1.09 X(o=-1.1,f=-0.93) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -160:sc= 0.0164 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -60:sc= -1.12 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= -0.19 USER MOD Single : A 50 MET CE :methyl 172:sc=-0.00157 (180deg=-0.157) USER MOD Single : A 52 SER OG : rot 180:sc=-0.00275 USER MOD Single : A 56 MET CE :methyl 172:sc= -5.02! (180deg=-5.62!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.00501 K(o=-0.005,f=-1.2) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0311 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.375 17.503 21.945 1.00 0.00 N ATOM 2 CA GLY A 1 -4.063 16.944 22.214 1.00 0.00 C ATOM 3 C GLY A 1 -3.885 15.566 21.607 1.00 0.00 C ATOM 4 O GLY A 1 -4.196 15.351 20.436 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.447 18.445 22.380 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.513 17.585 20.918 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.106 16.880 22.344 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.298 17.613 21.819 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.910 16.886 23.292 1.00 0.00 H new ATOM 8 N SER A 2 -3.381 14.630 22.406 1.00 0.00 N ATOM 9 CA SER A 2 -3.157 13.267 21.940 1.00 0.00 C ATOM 10 C SER A 2 -4.102 12.292 22.636 1.00 0.00 C ATOM 11 O SER A 2 -4.097 12.174 23.861 1.00 0.00 O ATOM 12 CB SER A 2 -1.705 12.853 22.188 1.00 0.00 C ATOM 13 OG SER A 2 -1.355 13.016 23.552 1.00 0.00 O ATOM 0 H SER A 2 -3.120 14.791 23.379 1.00 0.00 H new ATOM 0 HA SER A 2 -3.358 13.238 20.869 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.565 11.813 21.895 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.041 13.452 21.565 1.00 0.00 H new ATOM 0 HG SER A 2 -2.094 12.709 24.118 1.00 0.00 H new ATOM 19 N SER A 3 -4.912 11.597 21.845 1.00 0.00 N ATOM 20 CA SER A 3 -5.867 10.635 22.383 1.00 0.00 C ATOM 21 C SER A 3 -5.150 9.392 22.903 1.00 0.00 C ATOM 22 O SER A 3 -5.317 9.003 24.058 1.00 0.00 O ATOM 23 CB SER A 3 -6.885 10.240 21.312 1.00 0.00 C ATOM 24 OG SER A 3 -7.797 9.274 21.807 1.00 0.00 O ATOM 0 H SER A 3 -4.926 11.682 20.829 1.00 0.00 H new ATOM 0 HA SER A 3 -6.391 11.106 23.214 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.430 11.124 20.981 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.365 9.841 20.441 1.00 0.00 H new ATOM 0 HG SER A 3 -8.438 9.039 21.104 1.00 0.00 H new ATOM 30 N GLY A 4 -4.351 8.773 22.039 1.00 0.00 N ATOM 31 CA GLY A 4 -3.621 7.580 22.428 1.00 0.00 C ATOM 32 C GLY A 4 -4.537 6.407 22.715 1.00 0.00 C ATOM 33 O GLY A 4 -5.679 6.591 23.136 1.00 0.00 O ATOM 0 H GLY A 4 -4.196 9.076 21.077 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.926 7.308 21.634 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.024 7.796 23.314 1.00 0.00 H new ATOM 37 N SER A 5 -4.036 5.197 22.485 1.00 0.00 N ATOM 38 CA SER A 5 -4.820 3.989 22.716 1.00 0.00 C ATOM 39 C SER A 5 -3.938 2.747 22.639 1.00 0.00 C ATOM 40 O SER A 5 -3.065 2.644 21.778 1.00 0.00 O ATOM 41 CB SER A 5 -5.954 3.888 21.694 1.00 0.00 C ATOM 42 OG SER A 5 -6.802 2.790 21.980 1.00 0.00 O ATOM 0 H SER A 5 -3.092 5.027 22.139 1.00 0.00 H new ATOM 0 HA SER A 5 -5.248 4.048 23.717 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.535 4.811 21.698 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.537 3.778 20.693 1.00 0.00 H new ATOM 0 HG SER A 5 -7.519 2.748 21.314 1.00 0.00 H new ATOM 48 N SER A 6 -4.173 1.805 23.547 1.00 0.00 N ATOM 49 CA SER A 6 -3.399 0.570 23.586 1.00 0.00 C ATOM 50 C SER A 6 -4.262 -0.625 23.194 1.00 0.00 C ATOM 51 O SER A 6 -5.481 -0.606 23.358 1.00 0.00 O ATOM 52 CB SER A 6 -2.813 0.354 24.983 1.00 0.00 C ATOM 53 OG SER A 6 -1.590 -0.359 24.919 1.00 0.00 O ATOM 0 H SER A 6 -4.894 1.874 24.266 1.00 0.00 H new ATOM 0 HA SER A 6 -2.584 0.659 22.868 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.651 1.318 25.466 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.526 -0.195 25.599 1.00 0.00 H new ATOM 0 HG SER A 6 -1.235 -0.482 25.824 1.00 0.00 H new ATOM 59 N GLY A 7 -3.619 -1.666 22.673 1.00 0.00 N ATOM 60 CA GLY A 7 -4.342 -2.856 22.264 1.00 0.00 C ATOM 61 C GLY A 7 -3.431 -4.053 22.080 1.00 0.00 C ATOM 62 O GLY A 7 -2.259 -3.904 21.729 1.00 0.00 O ATOM 0 H GLY A 7 -2.610 -1.706 22.527 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.100 -3.092 23.011 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.867 -2.656 21.330 1.00 0.00 H new ATOM 66 N LEU A 8 -3.967 -5.245 22.318 1.00 0.00 N ATOM 67 CA LEU A 8 -3.193 -6.474 22.178 1.00 0.00 C ATOM 68 C LEU A 8 -3.770 -7.357 21.076 1.00 0.00 C ATOM 69 O LEU A 8 -4.804 -7.040 20.490 1.00 0.00 O ATOM 70 CB LEU A 8 -3.171 -7.240 23.502 1.00 0.00 C ATOM 71 CG LEU A 8 -4.534 -7.536 24.129 1.00 0.00 C ATOM 72 CD1 LEU A 8 -5.079 -8.862 23.621 1.00 0.00 C ATOM 73 CD2 LEU A 8 -4.432 -7.546 25.647 1.00 0.00 C ATOM 0 H LEU A 8 -4.934 -5.387 22.609 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.173 -6.203 21.905 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.654 -8.186 23.343 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.580 -6.670 24.219 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.226 -6.746 23.836 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.049 -9.056 24.078 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.190 -8.818 22.538 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.388 -9.664 23.883 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.411 -7.758 26.076 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.725 -8.314 25.959 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.087 -6.572 25.995 1.00 0.00 H new ATOM 85 N ASN A 9 -3.093 -8.468 20.800 1.00 0.00 N ATOM 86 CA ASN A 9 -3.539 -9.398 19.769 1.00 0.00 C ATOM 87 C ASN A 9 -4.691 -10.260 20.276 1.00 0.00 C ATOM 88 O ASN A 9 -4.655 -10.767 21.397 1.00 0.00 O ATOM 89 CB ASN A 9 -2.379 -10.290 19.321 1.00 0.00 C ATOM 90 CG ASN A 9 -2.696 -11.056 18.052 1.00 0.00 C ATOM 91 OD1 ASN A 9 -3.785 -11.610 17.903 1.00 0.00 O ATOM 92 ND2 ASN A 9 -1.742 -11.092 17.128 1.00 0.00 N ATOM 0 H ASN A 9 -2.234 -8.745 21.276 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.891 -8.816 18.917 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.493 -9.676 19.160 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.138 -10.995 20.117 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -1.898 -11.593 16.253 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -0.854 -10.619 17.293 1.00 0.00 H new ATOM 99 N ASP A 10 -5.713 -10.422 19.442 1.00 0.00 N ATOM 100 CA ASP A 10 -6.876 -11.224 19.804 1.00 0.00 C ATOM 101 C ASP A 10 -7.111 -12.333 18.783 1.00 0.00 C ATOM 102 O ASP A 10 -6.393 -12.436 17.787 1.00 0.00 O ATOM 103 CB ASP A 10 -8.119 -10.340 19.910 1.00 0.00 C ATOM 104 CG ASP A 10 -8.206 -9.326 18.786 1.00 0.00 C ATOM 105 OD1 ASP A 10 -7.791 -9.657 17.656 1.00 0.00 O ATOM 106 OD2 ASP A 10 -8.688 -8.201 19.037 1.00 0.00 O ATOM 0 H ASP A 10 -5.759 -10.008 18.511 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.682 -11.683 20.774 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.010 -10.968 19.899 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.109 -9.818 20.867 1.00 0.00 H new ATOM 111 N LEU A 11 -8.118 -13.161 19.037 1.00 0.00 N ATOM 112 CA LEU A 11 -8.447 -14.263 18.141 1.00 0.00 C ATOM 113 C LEU A 11 -9.915 -14.211 17.729 1.00 0.00 C ATOM 114 O LEU A 11 -10.759 -14.893 18.311 1.00 0.00 O ATOM 115 CB LEU A 11 -8.142 -15.602 18.814 1.00 0.00 C ATOM 116 CG LEU A 11 -6.668 -16.003 18.874 1.00 0.00 C ATOM 117 CD1 LEU A 11 -5.941 -15.204 19.944 1.00 0.00 C ATOM 118 CD2 LEU A 11 -6.531 -17.496 19.136 1.00 0.00 C ATOM 0 H LEU A 11 -8.721 -13.090 19.857 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.834 -14.165 17.245 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.531 -15.571 19.832 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.689 -16.384 18.287 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.211 -15.780 17.910 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.893 -15.503 19.972 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.009 -14.141 19.713 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.399 -15.395 20.915 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.475 -17.763 19.175 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.004 -17.743 20.087 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.016 -18.052 18.334 1.00 0.00 H new ATOM 130 N LYS A 12 -10.213 -13.398 16.721 1.00 0.00 N ATOM 131 CA LYS A 12 -11.578 -13.258 16.228 1.00 0.00 C ATOM 132 C LYS A 12 -11.956 -14.434 15.334 1.00 0.00 C ATOM 133 O LYS A 12 -11.126 -15.294 15.039 1.00 0.00 O ATOM 134 CB LYS A 12 -11.731 -11.946 15.455 1.00 0.00 C ATOM 135 CG LYS A 12 -11.637 -10.709 16.331 1.00 0.00 C ATOM 136 CD LYS A 12 -12.932 -10.461 17.086 1.00 0.00 C ATOM 137 CE LYS A 12 -12.747 -9.428 18.186 1.00 0.00 C ATOM 138 NZ LYS A 12 -12.822 -8.037 17.659 1.00 0.00 N ATOM 0 H LYS A 12 -9.527 -12.826 16.229 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.249 -13.247 17.087 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.960 -11.895 14.686 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.693 -11.946 14.943 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.818 -10.826 17.040 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.403 -9.842 15.714 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.700 -10.121 16.391 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.286 -11.396 17.520 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.512 -9.569 18.949 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.782 -9.582 18.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.691 -7.362 18.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.076 -7.894 16.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.752 -7.882 17.220 1.00 0.00 H new ATOM 152 N GLU A 13 -13.214 -14.465 14.904 1.00 0.00 N ATOM 153 CA GLU A 13 -13.701 -15.536 14.043 1.00 0.00 C ATOM 154 C GLU A 13 -12.850 -15.648 12.781 1.00 0.00 C ATOM 155 O GLU A 13 -12.245 -16.687 12.518 1.00 0.00 O ATOM 156 CB GLU A 13 -15.163 -15.293 13.666 1.00 0.00 C ATOM 157 CG GLU A 13 -16.145 -15.656 14.767 1.00 0.00 C ATOM 158 CD GLU A 13 -16.210 -17.150 15.021 1.00 0.00 C ATOM 159 OE1 GLU A 13 -15.280 -17.683 15.662 1.00 0.00 O ATOM 160 OE2 GLU A 13 -17.189 -17.786 14.578 1.00 0.00 O ATOM 0 H GLU A 13 -13.914 -13.761 15.138 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.627 -16.473 14.595 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.293 -14.242 13.407 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.400 -15.872 12.774 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.858 -15.147 15.687 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.137 -15.293 14.498 1.00 0.00 H new ATOM 167 N SER A 14 -12.811 -14.571 12.003 1.00 0.00 N ATOM 168 CA SER A 14 -12.039 -14.549 10.766 1.00 0.00 C ATOM 169 C SER A 14 -11.153 -13.308 10.701 1.00 0.00 C ATOM 170 O SER A 14 -11.621 -12.187 10.897 1.00 0.00 O ATOM 171 CB SER A 14 -12.974 -14.586 9.556 1.00 0.00 C ATOM 172 OG SER A 14 -12.241 -14.689 8.348 1.00 0.00 O ATOM 0 H SER A 14 -13.305 -13.702 12.207 1.00 0.00 H new ATOM 0 HA SER A 14 -11.400 -15.432 10.749 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.655 -15.432 9.645 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.586 -13.684 9.538 1.00 0.00 H new ATOM 0 HG SER A 14 -12.862 -14.713 7.590 1.00 0.00 H new ATOM 178 N SER A 15 -9.870 -13.519 10.423 1.00 0.00 N ATOM 179 CA SER A 15 -8.917 -12.419 10.336 1.00 0.00 C ATOM 180 C SER A 15 -8.473 -12.199 8.893 1.00 0.00 C ATOM 181 O SER A 15 -7.564 -12.868 8.403 1.00 0.00 O ATOM 182 CB SER A 15 -7.699 -12.701 11.219 1.00 0.00 C ATOM 183 OG SER A 15 -6.760 -11.642 11.144 1.00 0.00 O ATOM 0 H SER A 15 -9.467 -14.441 10.254 1.00 0.00 H new ATOM 0 HA SER A 15 -9.411 -11.513 10.688 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.018 -12.836 12.252 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.227 -13.633 10.907 1.00 0.00 H new ATOM 0 HG SER A 15 -5.992 -11.845 11.718 1.00 0.00 H new ATOM 189 N ASN A 16 -9.122 -11.256 8.218 1.00 0.00 N ATOM 190 CA ASN A 16 -8.795 -10.947 6.831 1.00 0.00 C ATOM 191 C ASN A 16 -8.597 -9.446 6.640 1.00 0.00 C ATOM 192 O ASN A 16 -9.135 -8.638 7.396 1.00 0.00 O ATOM 193 CB ASN A 16 -9.902 -11.449 5.901 1.00 0.00 C ATOM 194 CG ASN A 16 -9.756 -12.922 5.571 1.00 0.00 C ATOM 195 OD1 ASN A 16 -8.729 -13.535 5.861 1.00 0.00 O ATOM 196 ND2 ASN A 16 -10.786 -13.496 4.961 1.00 0.00 N ATOM 0 H ASN A 16 -9.877 -10.693 8.609 1.00 0.00 H new ATOM 0 HA ASN A 16 -7.862 -11.453 6.582 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.871 -11.279 6.369 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -9.888 -10.869 4.978 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.746 -14.485 4.713 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -11.618 -12.948 4.740 1.00 0.00 H new ATOM 203 N ASN A 17 -7.822 -9.082 5.624 1.00 0.00 N ATOM 204 CA ASN A 17 -7.552 -7.678 5.333 1.00 0.00 C ATOM 205 C ASN A 17 -7.579 -7.419 3.830 1.00 0.00 C ATOM 206 O ASN A 17 -7.760 -8.341 3.034 1.00 0.00 O ATOM 207 CB ASN A 17 -6.195 -7.268 5.908 1.00 0.00 C ATOM 208 CG ASN A 17 -6.108 -7.496 7.405 1.00 0.00 C ATOM 209 OD1 ASN A 17 -7.012 -7.125 8.154 1.00 0.00 O ATOM 210 ND2 ASN A 17 -5.017 -8.109 7.848 1.00 0.00 N ATOM 0 H ASN A 17 -7.370 -9.739 4.988 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.333 -7.079 5.801 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.407 -7.834 5.411 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.016 -6.215 5.693 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.903 -8.290 8.845 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.293 -8.399 7.191 1.00 0.00 H new ATOM 217 N ARG A 18 -7.398 -6.159 3.449 1.00 0.00 N ATOM 218 CA ARG A 18 -7.403 -5.778 2.042 1.00 0.00 C ATOM 219 C ARG A 18 -5.992 -5.825 1.461 1.00 0.00 C ATOM 220 O ARG A 18 -5.006 -5.842 2.198 1.00 0.00 O ATOM 221 CB ARG A 18 -7.989 -4.375 1.873 1.00 0.00 C ATOM 222 CG ARG A 18 -9.508 -4.345 1.874 1.00 0.00 C ATOM 223 CD ARG A 18 -10.044 -3.191 1.041 1.00 0.00 C ATOM 224 NE ARG A 18 -11.384 -2.790 1.459 1.00 0.00 N ATOM 225 CZ ARG A 18 -11.624 -2.005 2.503 1.00 0.00 C ATOM 226 NH1 ARG A 18 -10.618 -1.540 3.232 1.00 0.00 N ATOM 227 NH2 ARG A 18 -12.871 -1.683 2.821 1.00 0.00 N ATOM 0 H ARG A 18 -7.246 -5.385 4.095 1.00 0.00 H new ATOM 0 HA ARG A 18 -8.025 -6.491 1.501 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.621 -3.738 2.677 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.626 -3.949 0.937 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.892 -5.287 1.482 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.870 -4.255 2.898 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.368 -2.340 1.124 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.064 -3.481 -0.010 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.180 -3.131 0.920 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.658 -1.785 2.991 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.805 -0.937 4.033 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.648 -2.038 2.263 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.053 -1.080 3.623 1.00 0.00 H new ATOM 241 N LYS A 19 -5.904 -5.846 0.136 1.00 0.00 N ATOM 242 CA LYS A 19 -4.616 -5.890 -0.545 1.00 0.00 C ATOM 243 C LYS A 19 -4.482 -4.735 -1.532 1.00 0.00 C ATOM 244 O LYS A 19 -5.356 -4.520 -2.372 1.00 0.00 O ATOM 245 CB LYS A 19 -4.448 -7.224 -1.278 1.00 0.00 C ATOM 246 CG LYS A 19 -4.122 -8.387 -0.357 1.00 0.00 C ATOM 247 CD LYS A 19 -2.624 -8.524 -0.142 1.00 0.00 C ATOM 248 CE LYS A 19 -2.227 -9.970 0.109 1.00 0.00 C ATOM 249 NZ LYS A 19 -0.752 -10.163 0.026 1.00 0.00 N ATOM 0 H LYS A 19 -6.710 -5.833 -0.488 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.833 -5.795 0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.366 -7.448 -1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.655 -7.125 -2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.617 -8.242 0.603 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.516 -9.310 -0.782 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.094 -8.147 -1.016 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.319 -7.910 0.705 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.579 -10.277 1.094 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.719 -10.614 -0.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.522 -11.162 0.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.419 -9.894 -0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.283 -9.568 0.739 1.00 0.00 H new ATOM 263 N ALA A 20 -3.382 -3.997 -1.427 1.00 0.00 N ATOM 264 CA ALA A 20 -3.133 -2.867 -2.313 1.00 0.00 C ATOM 265 C ALA A 20 -1.653 -2.762 -2.666 1.00 0.00 C ATOM 266 O ALA A 20 -0.787 -3.106 -1.861 1.00 0.00 O ATOM 267 CB ALA A 20 -3.617 -1.575 -1.670 1.00 0.00 C ATOM 0 H ALA A 20 -2.649 -4.162 -0.737 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.689 -3.031 -3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.425 -0.739 -2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.687 -1.645 -1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.086 -1.415 -0.731 1.00 0.00 H new ATOM 273 N ARG A 21 -1.370 -2.285 -3.874 1.00 0.00 N ATOM 274 CA ARG A 21 0.006 -2.137 -4.334 1.00 0.00 C ATOM 275 C ARG A 21 0.444 -0.677 -4.276 1.00 0.00 C ATOM 276 O ARG A 21 -0.364 0.233 -4.464 1.00 0.00 O ATOM 277 CB ARG A 21 0.148 -2.668 -5.761 1.00 0.00 C ATOM 278 CG ARG A 21 1.587 -2.725 -6.249 1.00 0.00 C ATOM 279 CD ARG A 21 1.673 -3.255 -7.671 1.00 0.00 C ATOM 280 NE ARG A 21 1.024 -4.556 -7.811 1.00 0.00 N ATOM 281 CZ ARG A 21 1.617 -5.708 -7.518 1.00 0.00 C ATOM 282 NH1 ARG A 21 2.865 -5.720 -7.071 1.00 0.00 N ATOM 283 NH2 ARG A 21 0.961 -6.851 -7.671 1.00 0.00 N ATOM 0 H ARG A 21 -2.075 -1.995 -4.552 1.00 0.00 H new ATOM 0 HA ARG A 21 0.649 -2.717 -3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.284 -3.667 -5.813 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.430 -2.035 -6.434 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.027 -1.729 -6.204 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.172 -3.362 -5.586 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.207 -2.543 -8.352 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.720 -3.339 -7.964 1.00 0.00 H new ATOM 0 HE ARG A 21 0.063 -4.581 -8.152 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.372 -4.843 -6.951 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.318 -6.606 -6.847 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.000 -6.846 -8.014 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.417 -7.735 -7.446 1.00 0.00 H new ATOM 297 N VAL A 22 1.729 -0.459 -4.014 1.00 0.00 N ATOM 298 CA VAL A 22 2.275 0.890 -3.933 1.00 0.00 C ATOM 299 C VAL A 22 2.646 1.417 -5.314 1.00 0.00 C ATOM 300 O VAL A 22 3.139 0.673 -6.163 1.00 0.00 O ATOM 301 CB VAL A 22 3.519 0.938 -3.026 1.00 0.00 C ATOM 302 CG1 VAL A 22 4.176 2.308 -3.092 1.00 0.00 C ATOM 303 CG2 VAL A 22 3.147 0.584 -1.593 1.00 0.00 C ATOM 0 H VAL A 22 2.411 -1.200 -3.854 1.00 0.00 H new ATOM 0 HA VAL A 22 1.497 1.521 -3.504 1.00 0.00 H new ATOM 0 HB VAL A 22 4.237 0.200 -3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.053 2.323 -2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.479 2.517 -4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.468 3.067 -2.761 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.038 0.623 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.410 1.296 -1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.726 -0.421 -1.564 1.00 0.00 H new ATOM 313 N LEU A 23 2.407 2.705 -5.533 1.00 0.00 N ATOM 314 CA LEU A 23 2.716 3.334 -6.813 1.00 0.00 C ATOM 315 C LEU A 23 4.002 4.149 -6.722 1.00 0.00 C ATOM 316 O LEU A 23 4.652 4.418 -7.732 1.00 0.00 O ATOM 317 CB LEU A 23 1.560 4.232 -7.255 1.00 0.00 C ATOM 318 CG LEU A 23 0.157 3.641 -7.110 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.883 4.586 -7.690 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.080 2.279 -7.785 1.00 0.00 C ATOM 0 H LEU A 23 2.000 3.335 -4.841 1.00 0.00 H new ATOM 0 HA LEU A 23 2.858 2.546 -7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.604 5.157 -6.680 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.713 4.500 -8.300 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.054 3.510 -6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.875 4.148 -7.578 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.844 5.538 -7.161 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.676 4.750 -8.748 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.925 1.873 -7.672 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.312 2.385 -8.845 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.798 1.602 -7.322 1.00 0.00 H new ATOM 332 N TYR A 24 4.365 4.538 -5.504 1.00 0.00 N ATOM 333 CA TYR A 24 5.573 5.323 -5.281 1.00 0.00 C ATOM 334 C TYR A 24 6.190 4.999 -3.924 1.00 0.00 C ATOM 335 O TYR A 24 5.480 4.748 -2.950 1.00 0.00 O ATOM 336 CB TYR A 24 5.259 6.817 -5.367 1.00 0.00 C ATOM 337 CG TYR A 24 4.337 7.177 -6.510 1.00 0.00 C ATOM 338 CD1 TYR A 24 2.958 7.073 -6.376 1.00 0.00 C ATOM 339 CD2 TYR A 24 4.845 7.623 -7.725 1.00 0.00 C ATOM 340 CE1 TYR A 24 2.112 7.400 -7.418 1.00 0.00 C ATOM 341 CE2 TYR A 24 4.007 7.953 -8.772 1.00 0.00 C ATOM 342 CZ TYR A 24 2.642 7.840 -8.614 1.00 0.00 C ATOM 343 OH TYR A 24 1.802 8.168 -9.654 1.00 0.00 O ATOM 0 H TYR A 24 3.840 4.322 -4.657 1.00 0.00 H new ATOM 0 HA TYR A 24 6.292 5.065 -6.058 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.805 7.139 -4.430 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.192 7.370 -5.476 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.540 6.731 -5.441 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.914 7.713 -7.852 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.042 7.312 -7.297 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.419 8.298 -9.709 1.00 0.00 H new ATOM 0 HH TYR A 24 2.333 8.460 -10.424 1.00 0.00 H new ATOM 353 N ASP A 25 7.517 5.008 -3.868 1.00 0.00 N ATOM 354 CA ASP A 25 8.232 4.717 -2.630 1.00 0.00 C ATOM 355 C ASP A 25 7.957 5.787 -1.579 1.00 0.00 C ATOM 356 O ASP A 25 8.107 6.981 -1.840 1.00 0.00 O ATOM 357 CB ASP A 25 9.735 4.619 -2.895 1.00 0.00 C ATOM 358 CG ASP A 25 10.317 5.920 -3.413 1.00 0.00 C ATOM 359 OD1 ASP A 25 9.669 6.561 -4.267 1.00 0.00 O ATOM 360 OD2 ASP A 25 11.421 6.296 -2.966 1.00 0.00 O ATOM 0 H ASP A 25 8.120 5.214 -4.665 1.00 0.00 H new ATOM 0 HA ASP A 25 7.875 3.760 -2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.246 4.337 -1.974 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.922 3.826 -3.619 1.00 0.00 H new ATOM 365 N TYR A 26 7.551 5.352 -0.391 1.00 0.00 N ATOM 366 CA TYR A 26 7.251 6.273 0.699 1.00 0.00 C ATOM 367 C TYR A 26 8.245 6.105 1.844 1.00 0.00 C ATOM 368 O TYR A 26 8.844 5.042 2.009 1.00 0.00 O ATOM 369 CB TYR A 26 5.826 6.048 1.207 1.00 0.00 C ATOM 370 CG TYR A 26 5.385 7.059 2.241 1.00 0.00 C ATOM 371 CD1 TYR A 26 5.180 8.389 1.898 1.00 0.00 C ATOM 372 CD2 TYR A 26 5.173 6.683 3.562 1.00 0.00 C ATOM 373 CE1 TYR A 26 4.778 9.316 2.839 1.00 0.00 C ATOM 374 CE2 TYR A 26 4.769 7.603 4.510 1.00 0.00 C ATOM 375 CZ TYR A 26 4.573 8.919 4.144 1.00 0.00 C ATOM 376 OH TYR A 26 4.171 9.839 5.085 1.00 0.00 O ATOM 0 H TYR A 26 7.422 4.367 -0.158 1.00 0.00 H new ATOM 0 HA TYR A 26 7.336 7.290 0.316 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.138 6.082 0.362 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.756 5.048 1.636 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.338 8.704 0.877 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.327 5.654 3.852 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.625 10.347 2.555 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.607 7.294 5.532 1.00 0.00 H new ATOM 0 HH TYR A 26 4.368 9.497 5.982 1.00 0.00 H new ATOM 386 N ASP A 27 8.413 7.160 2.633 1.00 0.00 N ATOM 387 CA ASP A 27 9.332 7.130 3.764 1.00 0.00 C ATOM 388 C ASP A 27 8.600 7.435 5.067 1.00 0.00 C ATOM 389 O ASP A 27 8.278 8.588 5.355 1.00 0.00 O ATOM 390 CB ASP A 27 10.466 8.136 3.555 1.00 0.00 C ATOM 391 CG ASP A 27 11.654 7.527 2.835 1.00 0.00 C ATOM 392 OD1 ASP A 27 12.089 6.426 3.234 1.00 0.00 O ATOM 393 OD2 ASP A 27 12.147 8.151 1.873 1.00 0.00 O ATOM 0 H ASP A 27 7.925 8.047 2.510 1.00 0.00 H new ATOM 0 HA ASP A 27 9.754 6.127 3.831 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.094 8.985 2.982 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.789 8.521 4.522 1.00 0.00 H new ATOM 398 N ALA A 28 8.339 6.394 5.851 1.00 0.00 N ATOM 399 CA ALA A 28 7.646 6.550 7.124 1.00 0.00 C ATOM 400 C ALA A 28 8.368 7.547 8.024 1.00 0.00 C ATOM 401 O ALA A 28 9.567 7.420 8.270 1.00 0.00 O ATOM 402 CB ALA A 28 7.514 5.205 7.822 1.00 0.00 C ATOM 0 H ALA A 28 8.597 5.433 5.627 1.00 0.00 H new ATOM 0 HA ALA A 28 6.649 6.940 6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.995 5.337 8.771 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.947 4.521 7.190 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.506 4.791 8.006 1.00 0.00 H new ATOM 408 N ALA A 29 7.631 8.539 8.512 1.00 0.00 N ATOM 409 CA ALA A 29 8.202 9.557 9.386 1.00 0.00 C ATOM 410 C ALA A 29 8.572 8.969 10.743 1.00 0.00 C ATOM 411 O ALA A 29 9.574 9.354 11.344 1.00 0.00 O ATOM 412 CB ALA A 29 7.227 10.713 9.557 1.00 0.00 C ATOM 0 H ALA A 29 6.637 8.660 8.317 1.00 0.00 H new ATOM 0 HA ALA A 29 9.114 9.931 8.921 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.666 11.466 10.212 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.015 11.157 8.584 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.300 10.345 9.997 1.00 0.00 H new ATOM 418 N ASN A 30 7.756 8.036 11.222 1.00 0.00 N ATOM 419 CA ASN A 30 7.998 7.396 12.510 1.00 0.00 C ATOM 420 C ASN A 30 7.288 6.048 12.590 1.00 0.00 C ATOM 421 O ASN A 30 6.653 5.612 11.630 1.00 0.00 O ATOM 422 CB ASN A 30 7.525 8.302 13.649 1.00 0.00 C ATOM 423 CG ASN A 30 6.026 8.529 13.623 1.00 0.00 C ATOM 424 OD1 ASN A 30 5.329 8.267 14.603 1.00 0.00 O ATOM 425 ND2 ASN A 30 5.522 9.020 12.496 1.00 0.00 N ATOM 0 H ASN A 30 6.921 7.706 10.738 1.00 0.00 H new ATOM 0 HA ASN A 30 9.070 7.228 12.609 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.806 7.857 14.604 1.00 0.00 H new ATOM 0 HB3 ASN A 30 8.036 9.262 13.582 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.520 9.194 12.419 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.137 9.223 11.708 1.00 0.00 H new ATOM 432 N SER A 31 7.402 5.393 13.741 1.00 0.00 N ATOM 433 CA SER A 31 6.774 4.093 13.945 1.00 0.00 C ATOM 434 C SER A 31 5.336 4.097 13.435 1.00 0.00 C ATOM 435 O SER A 31 4.945 3.243 12.638 1.00 0.00 O ATOM 436 CB SER A 31 6.800 3.718 15.428 1.00 0.00 C ATOM 437 OG SER A 31 6.832 2.312 15.598 1.00 0.00 O ATOM 0 H SER A 31 7.923 5.741 14.546 1.00 0.00 H new ATOM 0 HA SER A 31 7.339 3.352 13.380 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.673 4.165 15.904 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.921 4.128 15.925 1.00 0.00 H new ATOM 0 HG SER A 31 6.850 2.098 16.554 1.00 0.00 H new ATOM 443 N THR A 32 4.553 5.065 13.899 1.00 0.00 N ATOM 444 CA THR A 32 3.158 5.182 13.492 1.00 0.00 C ATOM 445 C THR A 32 3.002 4.948 11.994 1.00 0.00 C ATOM 446 O THR A 32 1.985 4.422 11.542 1.00 0.00 O ATOM 447 CB THR A 32 2.583 6.566 13.848 1.00 0.00 C ATOM 448 OG1 THR A 32 3.327 7.591 13.180 1.00 0.00 O ATOM 449 CG2 THR A 32 2.623 6.799 15.350 1.00 0.00 C ATOM 0 H THR A 32 4.861 5.780 14.558 1.00 0.00 H new ATOM 0 HA THR A 32 2.604 4.417 14.036 1.00 0.00 H new ATOM 0 HB THR A 32 1.544 6.599 13.520 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.835 8.109 13.839 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.212 7.783 15.577 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.032 6.034 15.853 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.654 6.748 15.699 1.00 0.00 H new ATOM 457 N GLU A 33 4.015 5.343 11.229 1.00 0.00 N ATOM 458 CA GLU A 33 3.988 5.176 9.781 1.00 0.00 C ATOM 459 C GLU A 33 4.968 4.092 9.339 1.00 0.00 C ATOM 460 O GLU A 33 5.962 3.824 10.017 1.00 0.00 O ATOM 461 CB GLU A 33 4.325 6.497 9.086 1.00 0.00 C ATOM 462 CG GLU A 33 3.336 7.611 9.384 1.00 0.00 C ATOM 463 CD GLU A 33 3.971 8.987 9.324 1.00 0.00 C ATOM 464 OE1 GLU A 33 4.609 9.300 8.297 1.00 0.00 O ATOM 465 OE2 GLU A 33 3.830 9.749 10.302 1.00 0.00 O ATOM 0 H GLU A 33 4.864 5.780 11.588 1.00 0.00 H new ATOM 0 HA GLU A 33 2.981 4.870 9.496 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.321 6.815 9.393 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.360 6.333 8.009 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.514 7.563 8.670 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.907 7.456 10.374 1.00 0.00 H new ATOM 472 N LEU A 34 4.682 3.472 8.200 1.00 0.00 N ATOM 473 CA LEU A 34 5.536 2.417 7.667 1.00 0.00 C ATOM 474 C LEU A 34 6.080 2.798 6.294 1.00 0.00 C ATOM 475 O LEU A 34 5.444 3.541 5.548 1.00 0.00 O ATOM 476 CB LEU A 34 4.759 1.102 7.574 1.00 0.00 C ATOM 477 CG LEU A 34 4.838 0.188 8.797 1.00 0.00 C ATOM 478 CD1 LEU A 34 3.975 -1.048 8.596 1.00 0.00 C ATOM 479 CD2 LEU A 34 6.281 -0.206 9.076 1.00 0.00 C ATOM 0 H LEU A 34 3.864 3.682 7.627 1.00 0.00 H new ATOM 0 HA LEU A 34 6.378 2.287 8.347 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.711 1.335 7.387 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.122 0.549 6.708 1.00 0.00 H new ATOM 0 HG LEU A 34 4.458 0.734 9.660 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.044 -1.687 9.476 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.938 -0.747 8.446 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.324 -1.597 7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.318 -0.856 9.950 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.687 -0.734 8.213 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.873 0.690 9.265 1.00 0.00 H new ATOM 491 N SER A 35 7.261 2.282 5.967 1.00 0.00 N ATOM 492 CA SER A 35 7.891 2.569 4.684 1.00 0.00 C ATOM 493 C SER A 35 7.187 1.825 3.554 1.00 0.00 C ATOM 494 O SER A 35 6.665 0.726 3.749 1.00 0.00 O ATOM 495 CB SER A 35 9.371 2.182 4.721 1.00 0.00 C ATOM 496 OG SER A 35 9.542 0.796 4.483 1.00 0.00 O ATOM 0 H SER A 35 7.800 1.663 6.573 1.00 0.00 H new ATOM 0 HA SER A 35 7.807 3.640 4.498 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.918 2.753 3.971 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.794 2.442 5.691 1.00 0.00 H new ATOM 0 HG SER A 35 9.069 0.285 5.172 1.00 0.00 H new ATOM 502 N LEU A 36 7.178 2.430 2.371 1.00 0.00 N ATOM 503 CA LEU A 36 6.538 1.826 1.208 1.00 0.00 C ATOM 504 C LEU A 36 7.513 1.731 0.038 1.00 0.00 C ATOM 505 O LEU A 36 8.384 2.586 -0.128 1.00 0.00 O ATOM 506 CB LEU A 36 5.308 2.638 0.797 1.00 0.00 C ATOM 507 CG LEU A 36 4.341 3.006 1.923 1.00 0.00 C ATOM 508 CD1 LEU A 36 3.193 3.847 1.386 1.00 0.00 C ATOM 509 CD2 LEU A 36 3.813 1.752 2.604 1.00 0.00 C ATOM 0 H LEU A 36 7.607 3.338 2.192 1.00 0.00 H new ATOM 0 HA LEU A 36 6.225 0.818 1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.647 3.558 0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.759 2.073 0.044 1.00 0.00 H new ATOM 0 HG LEU A 36 4.882 3.596 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.515 4.100 2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.588 4.763 0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.653 3.282 0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.126 2.033 3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.288 1.135 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.646 1.188 3.024 1.00 0.00 H new ATOM 521 N LEU A 37 7.359 0.689 -0.770 1.00 0.00 N ATOM 522 CA LEU A 37 8.224 0.484 -1.927 1.00 0.00 C ATOM 523 C LEU A 37 7.412 0.467 -3.218 1.00 0.00 C ATOM 524 O LEU A 37 6.384 -0.202 -3.308 1.00 0.00 O ATOM 525 CB LEU A 37 9.000 -0.827 -1.782 1.00 0.00 C ATOM 526 CG LEU A 37 10.234 -0.780 -0.880 1.00 0.00 C ATOM 527 CD1 LEU A 37 10.744 -2.185 -0.601 1.00 0.00 C ATOM 528 CD2 LEU A 37 11.326 0.070 -1.514 1.00 0.00 C ATOM 0 H LEU A 37 6.644 -0.027 -0.646 1.00 0.00 H new ATOM 0 HA LEU A 37 8.929 1.314 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.321 -1.587 -1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.312 -1.153 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 37 9.951 -0.323 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.622 -2.132 0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.965 -2.763 -0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.011 -2.668 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.196 0.092 -0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.607 -0.358 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.957 1.085 -1.662 1.00 0.00 H new ATOM 540 N ALA A 38 7.884 1.206 -4.217 1.00 0.00 N ATOM 541 CA ALA A 38 7.204 1.273 -5.505 1.00 0.00 C ATOM 542 C ALA A 38 7.056 -0.114 -6.120 1.00 0.00 C ATOM 543 O ALA A 38 8.026 -0.865 -6.222 1.00 0.00 O ATOM 544 CB ALA A 38 7.958 2.195 -6.452 1.00 0.00 C ATOM 0 H ALA A 38 8.734 1.766 -4.159 1.00 0.00 H new ATOM 0 HA ALA A 38 6.205 1.677 -5.341 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.439 2.236 -7.410 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.007 3.196 -6.023 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.968 1.815 -6.602 1.00 0.00 H new ATOM 550 N ASP A 39 5.836 -0.448 -6.527 1.00 0.00 N ATOM 551 CA ASP A 39 5.561 -1.746 -7.133 1.00 0.00 C ATOM 552 C ASP A 39 5.594 -2.853 -6.083 1.00 0.00 C ATOM 553 O ASP A 39 6.171 -3.916 -6.308 1.00 0.00 O ATOM 554 CB ASP A 39 6.576 -2.043 -8.237 1.00 0.00 C ATOM 555 CG ASP A 39 6.803 -0.854 -9.150 1.00 0.00 C ATOM 556 OD1 ASP A 39 6.917 0.278 -8.634 1.00 0.00 O ATOM 557 OD2 ASP A 39 6.867 -1.055 -10.381 1.00 0.00 O ATOM 0 H ASP A 39 5.022 0.162 -6.448 1.00 0.00 H new ATOM 0 HA ASP A 39 4.562 -1.712 -7.569 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.524 -2.337 -7.786 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.228 -2.890 -8.828 1.00 0.00 H new ATOM 562 N GLU A 40 4.970 -2.594 -4.938 1.00 0.00 N ATOM 563 CA GLU A 40 4.930 -3.569 -3.854 1.00 0.00 C ATOM 564 C GLU A 40 3.508 -3.738 -3.327 1.00 0.00 C ATOM 565 O GLU A 40 2.811 -2.758 -3.065 1.00 0.00 O ATOM 566 CB GLU A 40 5.860 -3.139 -2.717 1.00 0.00 C ATOM 567 CG GLU A 40 5.174 -2.295 -1.656 1.00 0.00 C ATOM 568 CD GLU A 40 6.029 -2.105 -0.419 1.00 0.00 C ATOM 569 OE1 GLU A 40 6.990 -2.882 -0.238 1.00 0.00 O ATOM 570 OE2 GLU A 40 5.738 -1.181 0.368 1.00 0.00 O ATOM 0 H GLU A 40 4.486 -1.719 -4.737 1.00 0.00 H new ATOM 0 HA GLU A 40 5.269 -4.527 -4.248 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.280 -4.028 -2.247 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.694 -2.575 -3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.928 -1.320 -2.076 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.233 -2.767 -1.374 1.00 0.00 H new ATOM 577 N VAL A 41 3.085 -4.989 -3.174 1.00 0.00 N ATOM 578 CA VAL A 41 1.747 -5.288 -2.678 1.00 0.00 C ATOM 579 C VAL A 41 1.796 -5.813 -1.247 1.00 0.00 C ATOM 580 O VAL A 41 2.292 -6.912 -0.996 1.00 0.00 O ATOM 581 CB VAL A 41 1.036 -6.323 -3.569 1.00 0.00 C ATOM 582 CG1 VAL A 41 1.936 -7.524 -3.816 1.00 0.00 C ATOM 583 CG2 VAL A 41 -0.280 -6.754 -2.939 1.00 0.00 C ATOM 0 H VAL A 41 3.650 -5.811 -3.386 1.00 0.00 H new ATOM 0 HA VAL A 41 1.185 -4.354 -2.700 1.00 0.00 H new ATOM 0 HB VAL A 41 0.818 -5.859 -4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.416 -8.244 -4.448 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.849 -7.198 -4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.188 -7.991 -2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.769 -7.486 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.087 -7.200 -1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.928 -5.886 -2.820 1.00 0.00 H new ATOM 593 N ILE A 42 1.278 -5.022 -0.314 1.00 0.00 N ATOM 594 CA ILE A 42 1.261 -5.409 1.091 1.00 0.00 C ATOM 595 C ILE A 42 -0.166 -5.500 1.619 1.00 0.00 C ATOM 596 O ILE A 42 -1.125 -5.200 0.907 1.00 0.00 O ATOM 597 CB ILE A 42 2.055 -4.414 1.958 1.00 0.00 C ATOM 598 CG1 ILE A 42 1.418 -3.024 1.891 1.00 0.00 C ATOM 599 CG2 ILE A 42 3.507 -4.359 1.507 1.00 0.00 C ATOM 600 CD1 ILE A 42 1.735 -2.155 3.088 1.00 0.00 C ATOM 0 H ILE A 42 0.865 -4.109 -0.505 1.00 0.00 H new ATOM 0 HA ILE A 42 1.732 -6.390 1.154 1.00 0.00 H new ATOM 0 HB ILE A 42 2.029 -4.756 2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.759 -2.520 0.986 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.337 -3.133 1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.055 -3.651 2.129 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.955 -5.348 1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.553 -4.038 0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.251 -1.185 2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.369 -2.637 3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.814 -2.015 3.161 1.00 0.00 H new ATOM 612 N THR A 43 -0.301 -5.915 2.875 1.00 0.00 N ATOM 613 CA THR A 43 -1.611 -6.045 3.500 1.00 0.00 C ATOM 614 C THR A 43 -2.062 -4.724 4.112 1.00 0.00 C ATOM 615 O THR A 43 -1.313 -4.080 4.847 1.00 0.00 O ATOM 616 CB THR A 43 -1.607 -7.129 4.594 1.00 0.00 C ATOM 617 OG1 THR A 43 -1.389 -8.417 4.007 1.00 0.00 O ATOM 618 CG2 THR A 43 -2.921 -7.131 5.360 1.00 0.00 C ATOM 0 H THR A 43 0.481 -6.167 3.479 1.00 0.00 H new ATOM 0 HA THR A 43 -2.308 -6.335 2.714 1.00 0.00 H new ATOM 0 HB THR A 43 -0.799 -6.906 5.291 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.386 -9.100 4.709 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.894 -7.905 6.127 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.069 -6.159 5.830 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.743 -7.330 4.672 1.00 0.00 H new ATOM 626 N VAL A 44 -3.292 -4.324 3.805 1.00 0.00 N ATOM 627 CA VAL A 44 -3.844 -3.079 4.327 1.00 0.00 C ATOM 628 C VAL A 44 -5.224 -3.302 4.936 1.00 0.00 C ATOM 629 O VAL A 44 -5.996 -4.136 4.463 1.00 0.00 O ATOM 630 CB VAL A 44 -3.949 -2.007 3.226 1.00 0.00 C ATOM 631 CG1 VAL A 44 -2.571 -1.669 2.677 1.00 0.00 C ATOM 632 CG2 VAL A 44 -4.875 -2.474 2.114 1.00 0.00 C ATOM 0 H VAL A 44 -3.925 -4.844 3.197 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.160 -2.730 5.101 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.372 -1.102 3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.665 -0.910 1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.942 -1.289 3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.117 -2.566 2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.937 -1.704 1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.484 -3.393 1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.868 -2.660 2.522 1.00 0.00 H new ATOM 642 N PHE A 45 -5.528 -2.552 5.990 1.00 0.00 N ATOM 643 CA PHE A 45 -6.815 -2.667 6.666 1.00 0.00 C ATOM 644 C PHE A 45 -7.145 -1.388 7.429 1.00 0.00 C ATOM 645 O PHE A 45 -6.257 -0.725 7.965 1.00 0.00 O ATOM 646 CB PHE A 45 -6.806 -3.859 7.625 1.00 0.00 C ATOM 647 CG PHE A 45 -5.586 -3.915 8.500 1.00 0.00 C ATOM 648 CD1 PHE A 45 -4.328 -4.087 7.947 1.00 0.00 C ATOM 649 CD2 PHE A 45 -5.699 -3.797 9.876 1.00 0.00 C ATOM 650 CE1 PHE A 45 -3.203 -4.139 8.749 1.00 0.00 C ATOM 651 CE2 PHE A 45 -4.578 -3.847 10.683 1.00 0.00 C ATOM 652 CZ PHE A 45 -3.329 -4.020 10.120 1.00 0.00 C ATOM 0 H PHE A 45 -4.900 -1.858 6.395 1.00 0.00 H new ATOM 0 HA PHE A 45 -7.583 -2.825 5.908 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.694 -3.815 8.256 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.871 -4.781 7.047 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.224 -4.182 6.876 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.673 -3.665 10.323 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.228 -4.272 8.305 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.679 -3.751 11.754 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.453 -4.062 10.750 1.00 0.00 H new ATOM 662 N SER A 46 -8.429 -1.048 7.474 1.00 0.00 N ATOM 663 CA SER A 46 -8.878 0.154 8.167 1.00 0.00 C ATOM 664 C SER A 46 -9.020 -0.104 9.664 1.00 0.00 C ATOM 665 O SER A 46 -9.370 -1.207 10.085 1.00 0.00 O ATOM 666 CB SER A 46 -10.212 0.633 7.592 1.00 0.00 C ATOM 667 OG SER A 46 -10.152 0.730 6.179 1.00 0.00 O ATOM 0 H SER A 46 -9.177 -1.588 7.039 1.00 0.00 H new ATOM 0 HA SER A 46 -8.128 0.931 8.019 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.005 -0.058 7.879 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.467 1.604 8.016 1.00 0.00 H new ATOM 0 HG SER A 46 -11.017 1.036 5.835 1.00 0.00 H new ATOM 673 N VAL A 47 -8.747 0.922 10.464 1.00 0.00 N ATOM 674 CA VAL A 47 -8.845 0.808 11.914 1.00 0.00 C ATOM 675 C VAL A 47 -9.545 2.022 12.515 1.00 0.00 C ATOM 676 O VAL A 47 -9.324 3.154 12.086 1.00 0.00 O ATOM 677 CB VAL A 47 -7.455 0.659 12.561 1.00 0.00 C ATOM 678 CG1 VAL A 47 -7.585 0.437 14.060 1.00 0.00 C ATOM 679 CG2 VAL A 47 -6.684 -0.480 11.910 1.00 0.00 C ATOM 0 H VAL A 47 -8.456 1.842 10.132 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.432 -0.087 12.122 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.898 1.582 12.402 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.593 0.334 14.500 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.095 1.288 14.511 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.160 -0.470 14.245 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.704 -0.571 12.379 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.235 -1.412 12.037 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.559 -0.274 10.847 1.00 0.00 H new ATOM 689 N VAL A 48 -10.390 1.778 13.511 1.00 0.00 N ATOM 690 CA VAL A 48 -11.123 2.851 14.172 1.00 0.00 C ATOM 691 C VAL A 48 -10.205 4.026 14.494 1.00 0.00 C ATOM 692 O VAL A 48 -9.054 3.839 14.886 1.00 0.00 O ATOM 693 CB VAL A 48 -11.785 2.360 15.474 1.00 0.00 C ATOM 694 CG1 VAL A 48 -12.182 3.540 16.349 1.00 0.00 C ATOM 695 CG2 VAL A 48 -12.991 1.488 15.161 1.00 0.00 C ATOM 0 H VAL A 48 -10.584 0.846 13.878 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.899 3.178 13.479 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.063 1.757 16.025 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -12.648 3.174 17.264 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.295 4.121 16.601 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -12.888 4.171 15.810 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.447 1.150 16.092 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.718 2.065 14.589 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.674 0.624 14.577 1.00 0.00 H new ATOM 705 N GLY A 49 -10.723 5.238 14.324 1.00 0.00 N ATOM 706 CA GLY A 49 -9.937 6.426 14.601 1.00 0.00 C ATOM 707 C GLY A 49 -8.873 6.675 13.550 1.00 0.00 C ATOM 708 O GLY A 49 -7.899 7.385 13.800 1.00 0.00 O ATOM 0 H GLY A 49 -11.673 5.419 13.999 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.598 7.291 14.656 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.463 6.325 15.577 1.00 0.00 H new ATOM 712 N MET A 50 -9.058 6.088 12.372 1.00 0.00 N ATOM 713 CA MET A 50 -8.105 6.250 11.280 1.00 0.00 C ATOM 714 C MET A 50 -8.707 7.082 10.152 1.00 0.00 C ATOM 715 O MET A 50 -9.911 7.029 9.904 1.00 0.00 O ATOM 716 CB MET A 50 -7.672 4.884 10.746 1.00 0.00 C ATOM 717 CG MET A 50 -6.696 4.967 9.584 1.00 0.00 C ATOM 718 SD MET A 50 -6.097 3.348 9.062 1.00 0.00 S ATOM 719 CE MET A 50 -4.515 3.286 9.901 1.00 0.00 C ATOM 0 H MET A 50 -9.858 5.496 12.149 1.00 0.00 H new ATOM 0 HA MET A 50 -7.232 6.774 11.668 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.213 4.316 11.555 1.00 0.00 H new ATOM 0 HB3 MET A 50 -8.556 4.330 10.429 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.182 5.459 8.741 1.00 0.00 H new ATOM 0 HG3 MET A 50 -5.848 5.589 9.871 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.085 2.290 9.794 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.841 4.022 9.462 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.655 3.509 10.959 1.00 0.00 H new ATOM 729 N ASP A 51 -7.861 7.850 9.474 1.00 0.00 N ATOM 730 CA ASP A 51 -8.310 8.693 8.371 1.00 0.00 C ATOM 731 C ASP A 51 -8.514 7.868 7.105 1.00 0.00 C ATOM 732 O ASP A 51 -7.878 6.831 6.918 1.00 0.00 O ATOM 733 CB ASP A 51 -7.298 9.809 8.110 1.00 0.00 C ATOM 734 CG ASP A 51 -6.526 10.195 9.357 1.00 0.00 C ATOM 735 OD1 ASP A 51 -7.129 10.813 10.259 1.00 0.00 O ATOM 736 OD2 ASP A 51 -5.320 9.878 9.430 1.00 0.00 O ATOM 0 H ASP A 51 -6.861 7.906 9.668 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.265 9.137 8.651 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.599 9.488 7.338 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.819 10.685 7.723 1.00 0.00 H new ATOM 741 N SER A 52 -9.408 8.334 6.238 1.00 0.00 N ATOM 742 CA SER A 52 -9.700 7.637 4.991 1.00 0.00 C ATOM 743 C SER A 52 -8.499 7.681 4.050 1.00 0.00 C ATOM 744 O SER A 52 -8.407 6.895 3.107 1.00 0.00 O ATOM 745 CB SER A 52 -10.920 8.259 4.308 1.00 0.00 C ATOM 746 OG SER A 52 -10.909 8.003 2.915 1.00 0.00 O ATOM 0 H SER A 52 -9.943 9.192 6.377 1.00 0.00 H new ATOM 0 HA SER A 52 -9.917 6.595 5.228 1.00 0.00 H new ATOM 0 HB2 SER A 52 -11.832 7.856 4.748 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.930 9.335 4.483 1.00 0.00 H new ATOM 0 HG SER A 52 -11.699 8.409 2.501 1.00 0.00 H new ATOM 752 N ASP A 53 -7.582 8.605 4.314 1.00 0.00 N ATOM 753 CA ASP A 53 -6.386 8.751 3.493 1.00 0.00 C ATOM 754 C ASP A 53 -5.213 7.989 4.100 1.00 0.00 C ATOM 755 O ASP A 53 -4.056 8.242 3.765 1.00 0.00 O ATOM 756 CB ASP A 53 -6.026 10.230 3.339 1.00 0.00 C ATOM 757 CG ASP A 53 -7.158 11.043 2.743 1.00 0.00 C ATOM 758 OD1 ASP A 53 -7.413 10.904 1.528 1.00 0.00 O ATOM 759 OD2 ASP A 53 -7.789 11.818 3.492 1.00 0.00 O ATOM 0 H ASP A 53 -7.644 9.264 5.090 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.597 8.332 2.509 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.762 10.640 4.314 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.144 10.322 2.705 1.00 0.00 H new ATOM 764 N TRP A 54 -5.519 7.058 4.996 1.00 0.00 N ATOM 765 CA TRP A 54 -4.489 6.260 5.651 1.00 0.00 C ATOM 766 C TRP A 54 -5.036 4.897 6.063 1.00 0.00 C ATOM 767 O TRP A 54 -6.103 4.804 6.673 1.00 0.00 O ATOM 768 CB TRP A 54 -3.947 6.997 6.877 1.00 0.00 C ATOM 769 CG TRP A 54 -3.167 8.229 6.532 1.00 0.00 C ATOM 770 CD1 TRP A 54 -3.662 9.489 6.349 1.00 0.00 C ATOM 771 CD2 TRP A 54 -1.753 8.319 6.327 1.00 0.00 C ATOM 772 NE1 TRP A 54 -2.642 10.356 6.042 1.00 0.00 N ATOM 773 CE2 TRP A 54 -1.460 9.663 6.023 1.00 0.00 C ATOM 774 CE3 TRP A 54 -0.705 7.395 6.372 1.00 0.00 C ATOM 775 CZ2 TRP A 54 -0.164 10.103 5.765 1.00 0.00 C ATOM 776 CZ3 TRP A 54 0.580 7.833 6.115 1.00 0.00 C ATOM 777 CH2 TRP A 54 0.842 9.177 5.816 1.00 0.00 C ATOM 0 H TRP A 54 -6.472 6.837 5.286 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.677 6.105 4.940 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.780 7.272 7.524 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.310 6.320 7.447 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.703 9.763 6.433 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.747 11.354 5.858 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.896 6.358 6.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.040 11.138 5.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.397 7.127 6.145 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.858 9.488 5.622 1.00 0.00 H new ATOM 788 N LEU A 55 -4.301 3.844 5.727 1.00 0.00 N ATOM 789 CA LEU A 55 -4.713 2.485 6.063 1.00 0.00 C ATOM 790 C LEU A 55 -3.682 1.810 6.962 1.00 0.00 C ATOM 791 O LEU A 55 -2.588 2.333 7.170 1.00 0.00 O ATOM 792 CB LEU A 55 -4.911 1.662 4.789 1.00 0.00 C ATOM 793 CG LEU A 55 -6.316 1.686 4.186 1.00 0.00 C ATOM 794 CD1 LEU A 55 -6.309 1.079 2.791 1.00 0.00 C ATOM 795 CD2 LEU A 55 -7.296 0.948 5.086 1.00 0.00 C ATOM 0 H LEU A 55 -3.417 3.904 5.222 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.658 2.541 6.603 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.208 2.020 4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.648 0.627 5.005 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.638 2.724 4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.317 1.105 2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.639 1.651 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.966 0.046 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.291 0.976 4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.977 -0.088 5.198 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.323 1.427 6.065 1.00 0.00 H new ATOM 807 N MET A 56 -4.040 0.645 7.493 1.00 0.00 N ATOM 808 CA MET A 56 -3.144 -0.103 8.367 1.00 0.00 C ATOM 809 C MET A 56 -2.299 -1.088 7.566 1.00 0.00 C ATOM 810 O MET A 56 -2.771 -2.157 7.182 1.00 0.00 O ATOM 811 CB MET A 56 -3.946 -0.851 9.434 1.00 0.00 C ATOM 812 CG MET A 56 -3.209 -1.001 10.755 1.00 0.00 C ATOM 813 SD MET A 56 -1.472 -1.430 10.536 1.00 0.00 S ATOM 814 CE MET A 56 -0.707 -0.392 11.780 1.00 0.00 C ATOM 0 H MET A 56 -4.943 0.199 7.333 1.00 0.00 H new ATOM 0 HA MET A 56 -2.476 0.607 8.855 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.884 -0.323 9.608 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.203 -1.841 9.056 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.281 -0.069 11.315 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.697 -1.771 11.353 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.349 -0.646 11.867 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.806 0.654 11.492 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.199 -0.552 12.740 1.00 0.00 H new ATOM 824 N GLY A 57 -1.046 -0.719 7.317 1.00 0.00 N ATOM 825 CA GLY A 57 -0.155 -1.582 6.562 1.00 0.00 C ATOM 826 C GLY A 57 0.621 -2.534 7.451 1.00 0.00 C ATOM 827 O GLY A 57 0.890 -2.228 8.612 1.00 0.00 O ATOM 0 H GLY A 57 -0.632 0.161 7.624 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.736 -2.156 5.840 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.544 -0.969 5.994 1.00 0.00 H new ATOM 831 N GLU A 58 0.980 -3.691 6.904 1.00 0.00 N ATOM 832 CA GLU A 58 1.727 -4.691 7.657 1.00 0.00 C ATOM 833 C GLU A 58 2.792 -5.348 6.783 1.00 0.00 C ATOM 834 O GLU A 58 2.476 -6.110 5.869 1.00 0.00 O ATOM 835 CB GLU A 58 0.780 -5.757 8.213 1.00 0.00 C ATOM 836 CG GLU A 58 1.433 -6.686 9.222 1.00 0.00 C ATOM 837 CD GLU A 58 0.455 -7.679 9.820 1.00 0.00 C ATOM 838 OE1 GLU A 58 -0.066 -8.526 9.065 1.00 0.00 O ATOM 839 OE2 GLU A 58 0.211 -7.608 11.042 1.00 0.00 O ATOM 0 H GLU A 58 0.766 -3.959 5.943 1.00 0.00 H new ATOM 0 HA GLU A 58 2.222 -4.187 8.487 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.071 -5.265 8.683 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.389 -6.350 7.386 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.245 -7.228 8.738 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.877 -6.093 10.021 1.00 0.00 H new ATOM 846 N ARG A 59 4.053 -5.045 7.069 1.00 0.00 N ATOM 847 CA ARG A 59 5.165 -5.603 6.308 1.00 0.00 C ATOM 848 C ARG A 59 6.002 -6.539 7.175 1.00 0.00 C ATOM 849 O ARG A 59 6.713 -6.097 8.076 1.00 0.00 O ATOM 850 CB ARG A 59 6.045 -4.481 5.753 1.00 0.00 C ATOM 851 CG ARG A 59 6.731 -4.837 4.445 1.00 0.00 C ATOM 852 CD ARG A 59 7.133 -3.592 3.670 1.00 0.00 C ATOM 853 NE ARG A 59 8.477 -3.139 4.020 1.00 0.00 N ATOM 854 CZ ARG A 59 8.980 -1.969 3.642 1.00 0.00 C ATOM 855 NH1 ARG A 59 8.254 -1.138 2.907 1.00 0.00 N ATOM 856 NH2 ARG A 59 10.211 -1.628 4.000 1.00 0.00 N ATOM 0 H ARG A 59 4.331 -4.416 7.822 1.00 0.00 H new ATOM 0 HA ARG A 59 4.753 -6.177 5.478 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.433 -3.591 5.602 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.803 -4.225 6.493 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.615 -5.441 4.649 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.063 -5.446 3.836 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.088 -3.800 2.601 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.418 -2.794 3.870 1.00 0.00 H new ATOM 0 HE ARG A 59 9.061 -3.755 4.586 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.307 -1.396 2.630 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.643 -0.240 2.618 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.772 -2.264 4.566 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.596 -0.729 3.709 1.00 0.00 H new ATOM 870 N GLY A 60 5.910 -7.836 6.897 1.00 0.00 N ATOM 871 CA GLY A 60 6.663 -8.814 7.660 1.00 0.00 C ATOM 872 C GLY A 60 6.455 -8.667 9.155 1.00 0.00 C ATOM 873 O GLY A 60 5.391 -8.997 9.675 1.00 0.00 O ATOM 0 H GLY A 60 5.327 -8.227 6.157 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.367 -9.817 7.352 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.724 -8.710 7.432 1.00 0.00 H new ATOM 877 N ASN A 61 7.476 -8.172 9.846 1.00 0.00 N ATOM 878 CA ASN A 61 7.402 -7.984 11.291 1.00 0.00 C ATOM 879 C ASN A 61 7.279 -6.504 11.641 1.00 0.00 C ATOM 880 O ASN A 61 7.935 -6.019 12.562 1.00 0.00 O ATOM 881 CB ASN A 61 8.638 -8.579 11.968 1.00 0.00 C ATOM 882 CG ASN A 61 8.748 -10.077 11.757 1.00 0.00 C ATOM 883 OD1 ASN A 61 9.552 -10.544 10.950 1.00 0.00 O ATOM 884 ND2 ASN A 61 7.938 -10.837 12.484 1.00 0.00 N ATOM 0 H ASN A 61 8.364 -7.894 9.429 1.00 0.00 H new ATOM 0 HA ASN A 61 6.514 -8.500 11.655 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.532 -8.093 11.577 1.00 0.00 H new ATOM 0 HB3 ASN A 61 8.601 -8.367 13.037 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.966 -11.852 12.386 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.287 -10.406 13.141 1.00 0.00 H new ATOM 891 N GLN A 62 6.433 -5.795 10.901 1.00 0.00 N ATOM 892 CA GLN A 62 6.225 -4.371 11.134 1.00 0.00 C ATOM 893 C GLN A 62 4.749 -4.008 11.000 1.00 0.00 C ATOM 894 O GLN A 62 3.964 -4.759 10.422 1.00 0.00 O ATOM 895 CB GLN A 62 7.056 -3.544 10.152 1.00 0.00 C ATOM 896 CG GLN A 62 8.549 -3.821 10.236 1.00 0.00 C ATOM 897 CD GLN A 62 9.328 -3.164 9.114 1.00 0.00 C ATOM 898 OE1 GLN A 62 8.748 -2.569 8.205 1.00 0.00 O ATOM 899 NE2 GLN A 62 10.651 -3.267 9.171 1.00 0.00 N ATOM 0 H GLN A 62 5.881 -6.183 10.136 1.00 0.00 H new ATOM 0 HA GLN A 62 6.546 -4.145 12.151 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.713 -3.748 9.137 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.880 -2.485 10.341 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.928 -3.464 11.194 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.717 -4.898 10.208 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.091 -3.769 9.942 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.227 -2.844 8.443 1.00 0.00 H new ATOM 908 N LYS A 63 4.378 -2.851 11.540 1.00 0.00 N ATOM 909 CA LYS A 63 2.998 -2.387 11.481 1.00 0.00 C ATOM 910 C LYS A 63 2.931 -0.866 11.567 1.00 0.00 C ATOM 911 O LYS A 63 3.635 -0.248 12.364 1.00 0.00 O ATOM 912 CB LYS A 63 2.180 -3.009 12.615 1.00 0.00 C ATOM 913 CG LYS A 63 1.796 -4.457 12.364 1.00 0.00 C ATOM 914 CD LYS A 63 0.608 -4.874 13.216 1.00 0.00 C ATOM 915 CE LYS A 63 -0.703 -4.375 12.627 1.00 0.00 C ATOM 916 NZ LYS A 63 -1.858 -4.662 13.521 1.00 0.00 N ATOM 0 H LYS A 63 5.015 -2.218 12.023 1.00 0.00 H new ATOM 0 HA LYS A 63 2.577 -2.698 10.525 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.753 -2.949 13.540 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.274 -2.422 12.762 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.555 -4.593 11.310 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.646 -5.103 12.582 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.581 -5.961 13.298 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.727 -4.481 14.226 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.637 -3.301 12.452 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.868 -4.846 11.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.732 -4.306 13.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.937 -5.689 13.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.713 -4.192 14.437 1.00 0.00 H new ATOM 930 N GLY A 64 2.078 -0.267 10.741 1.00 0.00 N ATOM 931 CA GLY A 64 1.934 1.177 10.741 1.00 0.00 C ATOM 932 C GLY A 64 0.883 1.656 9.760 1.00 0.00 C ATOM 933 O GLY A 64 0.139 0.854 9.195 1.00 0.00 O ATOM 0 H GLY A 64 1.484 -0.757 10.072 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.670 1.512 11.744 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.892 1.634 10.494 1.00 0.00 H new ATOM 937 N LYS A 65 0.818 2.967 9.558 1.00 0.00 N ATOM 938 CA LYS A 65 -0.151 3.553 8.639 1.00 0.00 C ATOM 939 C LYS A 65 0.439 3.685 7.238 1.00 0.00 C ATOM 940 O LYS A 65 1.657 3.710 7.066 1.00 0.00 O ATOM 941 CB LYS A 65 -0.600 4.925 9.146 1.00 0.00 C ATOM 942 CG LYS A 65 -1.063 4.917 10.593 1.00 0.00 C ATOM 943 CD LYS A 65 -1.973 6.096 10.894 1.00 0.00 C ATOM 944 CE LYS A 65 -1.337 7.413 10.475 1.00 0.00 C ATOM 945 NZ LYS A 65 -1.921 8.569 11.208 1.00 0.00 N ATOM 0 H LYS A 65 1.425 3.645 10.019 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.015 2.890 8.590 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.225 5.630 9.041 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.412 5.288 8.516 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.591 3.986 10.802 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.196 4.947 11.253 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.922 5.967 10.373 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.196 6.122 11.961 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.263 7.372 10.658 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.472 7.557 9.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.461 9.447 10.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.941 8.624 11.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.769 8.445 12.229 1.00 0.00 H new ATOM 959 N VAL A 66 -0.434 3.770 6.239 1.00 0.00 N ATOM 960 CA VAL A 66 0.000 3.902 4.854 1.00 0.00 C ATOM 961 C VAL A 66 -0.948 4.798 4.064 1.00 0.00 C ATOM 962 O VAL A 66 -2.169 4.657 4.124 1.00 0.00 O ATOM 963 CB VAL A 66 0.090 2.530 4.160 1.00 0.00 C ATOM 964 CG1 VAL A 66 1.163 1.672 4.812 1.00 0.00 C ATOM 965 CG2 VAL A 66 -1.259 1.828 4.193 1.00 0.00 C ATOM 0 H VAL A 66 -1.446 3.750 6.364 1.00 0.00 H new ATOM 0 HA VAL A 66 0.991 4.355 4.875 1.00 0.00 H new ATOM 0 HB VAL A 66 0.367 2.686 3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.212 0.706 4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.128 2.173 4.732 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.919 1.521 5.864 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.178 0.860 3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.568 1.682 5.228 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.000 2.438 3.676 1.00 0.00 H new ATOM 975 N PRO A 67 -0.374 5.741 3.303 1.00 0.00 N ATOM 976 CA PRO A 67 -1.149 6.678 2.484 1.00 0.00 C ATOM 977 C PRO A 67 -1.822 5.994 1.300 1.00 0.00 C ATOM 978 O PRO A 67 -1.151 5.470 0.410 1.00 0.00 O ATOM 979 CB PRO A 67 -0.098 7.678 1.997 1.00 0.00 C ATOM 980 CG PRO A 67 1.186 6.923 2.027 1.00 0.00 C ATOM 981 CD PRO A 67 1.076 5.966 3.182 1.00 0.00 C ATOM 0 HA PRO A 67 -1.962 7.135 3.048 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.325 8.033 0.992 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.057 8.555 2.643 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.346 6.388 1.091 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.032 7.597 2.158 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.612 5.037 2.986 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.494 6.389 4.095 1.00 0.00 H new ATOM 989 N ILE A 68 -3.151 6.001 1.294 1.00 0.00 N ATOM 990 CA ILE A 68 -3.914 5.382 0.218 1.00 0.00 C ATOM 991 C ILE A 68 -3.527 5.966 -1.137 1.00 0.00 C ATOM 992 O ILE A 68 -3.506 5.262 -2.147 1.00 0.00 O ATOM 993 CB ILE A 68 -5.429 5.560 0.427 1.00 0.00 C ATOM 994 CG1 ILE A 68 -5.943 4.561 1.466 1.00 0.00 C ATOM 995 CG2 ILE A 68 -6.169 5.389 -0.892 1.00 0.00 C ATOM 996 CD1 ILE A 68 -5.789 5.041 2.892 1.00 0.00 C ATOM 0 H ILE A 68 -3.722 6.429 2.023 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.676 4.318 0.234 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.614 6.568 0.797 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.996 4.356 1.272 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.408 3.619 1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.239 5.518 -0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.819 6.135 -1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.980 4.391 -1.289 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.174 4.283 3.575 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.735 5.219 3.104 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.347 5.967 3.026 1.00 0.00 H new ATOM 1008 N THR A 69 -3.219 7.259 -1.151 1.00 0.00 N ATOM 1009 CA THR A 69 -2.831 7.939 -2.381 1.00 0.00 C ATOM 1010 C THR A 69 -1.667 7.227 -3.059 1.00 0.00 C ATOM 1011 O THR A 69 -1.521 7.280 -4.281 1.00 0.00 O ATOM 1012 CB THR A 69 -2.436 9.404 -2.112 1.00 0.00 C ATOM 1013 OG1 THR A 69 -1.821 9.517 -0.824 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.654 10.314 -2.180 1.00 0.00 C ATOM 0 H THR A 69 -3.231 7.857 -0.324 1.00 0.00 H new ATOM 0 HA THR A 69 -3.699 7.919 -3.040 1.00 0.00 H new ATOM 0 HB THR A 69 -1.728 9.713 -2.881 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.571 10.451 -0.661 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.351 11.343 -1.987 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.103 10.248 -3.171 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.382 10.004 -1.431 1.00 0.00 H new ATOM 1022 N TYR A 70 -0.841 6.561 -2.261 1.00 0.00 N ATOM 1023 CA TYR A 70 0.312 5.839 -2.785 1.00 0.00 C ATOM 1024 C TYR A 70 -0.019 4.364 -2.998 1.00 0.00 C ATOM 1025 O TYR A 70 0.774 3.614 -3.569 1.00 0.00 O ATOM 1026 CB TYR A 70 1.501 5.973 -1.832 1.00 0.00 C ATOM 1027 CG TYR A 70 2.128 7.349 -1.837 1.00 0.00 C ATOM 1028 CD1 TYR A 70 1.350 8.490 -1.684 1.00 0.00 C ATOM 1029 CD2 TYR A 70 3.500 7.508 -1.994 1.00 0.00 C ATOM 1030 CE1 TYR A 70 1.918 9.749 -1.689 1.00 0.00 C ATOM 1031 CE2 TYR A 70 4.077 8.763 -1.999 1.00 0.00 C ATOM 1032 CZ TYR A 70 3.282 9.880 -1.846 1.00 0.00 C ATOM 1033 OH TYR A 70 3.853 11.133 -1.850 1.00 0.00 O ATOM 0 H TYR A 70 -0.948 6.506 -1.248 1.00 0.00 H new ATOM 0 HA TYR A 70 0.575 6.277 -3.748 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.173 5.736 -0.820 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.258 5.237 -2.103 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.282 8.391 -1.559 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.125 6.636 -2.114 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.298 10.625 -1.571 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.145 8.869 -2.122 1.00 0.00 H new ATOM 0 HH TYR A 70 4.822 11.050 -1.969 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.195 3.956 -2.534 1.00 0.00 N ATOM 1044 CA LEU A 71 -1.633 2.572 -2.674 1.00 0.00 C ATOM 1045 C LEU A 71 -2.757 2.457 -3.699 1.00 0.00 C ATOM 1046 O LEU A 71 -3.580 3.361 -3.835 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.101 2.026 -1.324 1.00 0.00 C ATOM 1048 CG LEU A 71 -1.260 2.425 -0.110 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -2.126 2.499 1.138 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -0.115 1.443 0.090 1.00 0.00 C ATOM 0 H LEU A 71 -1.862 4.564 -2.058 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.786 1.982 -3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.126 2.358 -1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.124 0.938 -1.383 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.837 3.413 -0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.511 2.784 1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.911 3.241 0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.578 1.525 1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.473 1.742 0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.517 0.443 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.521 1.440 -0.796 1.00 0.00 H new ATOM 1062 N GLU A 72 -2.785 1.338 -4.416 1.00 0.00 N ATOM 1063 CA GLU A 72 -3.809 1.105 -5.428 1.00 0.00 C ATOM 1064 C GLU A 72 -4.553 -0.199 -5.158 1.00 0.00 C ATOM 1065 O GLU A 72 -4.240 -1.238 -5.742 1.00 0.00 O ATOM 1066 CB GLU A 72 -3.181 1.068 -6.822 1.00 0.00 C ATOM 1067 CG GLU A 72 -4.124 0.565 -7.902 1.00 0.00 C ATOM 1068 CD GLU A 72 -3.727 1.034 -9.288 1.00 0.00 C ATOM 1069 OE1 GLU A 72 -3.041 2.073 -9.389 1.00 0.00 O ATOM 1070 OE2 GLU A 72 -4.102 0.362 -10.272 1.00 0.00 O ATOM 0 H GLU A 72 -2.111 0.579 -4.315 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.523 1.927 -5.382 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.842 2.070 -7.085 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.298 0.430 -6.796 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.144 -0.525 -7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.136 0.906 -7.683 1.00 0.00 H new ATOM 1077 N LEU A 73 -5.539 -0.138 -4.270 1.00 0.00 N ATOM 1078 CA LEU A 73 -6.329 -1.314 -3.921 1.00 0.00 C ATOM 1079 C LEU A 73 -6.634 -2.152 -5.159 1.00 0.00 C ATOM 1080 O LEU A 73 -7.329 -1.701 -6.071 1.00 0.00 O ATOM 1081 CB LEU A 73 -7.633 -0.894 -3.242 1.00 0.00 C ATOM 1082 CG LEU A 73 -7.500 0.108 -2.095 1.00 0.00 C ATOM 1083 CD1 LEU A 73 -8.836 0.297 -1.393 1.00 0.00 C ATOM 1084 CD2 LEU A 73 -6.437 -0.351 -1.107 1.00 0.00 C ATOM 0 H LEU A 73 -5.811 0.713 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.745 -1.921 -3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.291 -0.465 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.125 -1.789 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.192 1.068 -2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.721 1.014 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.572 0.671 -2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.174 -0.658 -0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.356 0.374 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.716 -1.322 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.477 -0.434 -1.617 1.00 0.00 H new ATOM 1096 N LEU A 74 -6.112 -3.373 -5.184 1.00 0.00 N ATOM 1097 CA LEU A 74 -6.330 -4.276 -6.309 1.00 0.00 C ATOM 1098 C LEU A 74 -7.669 -4.995 -6.179 1.00 0.00 C ATOM 1099 O LEU A 74 -7.758 -6.204 -6.384 1.00 0.00 O ATOM 1100 CB LEU A 74 -5.196 -5.298 -6.395 1.00 0.00 C ATOM 1101 CG LEU A 74 -3.786 -4.760 -6.145 1.00 0.00 C ATOM 1102 CD1 LEU A 74 -2.875 -5.866 -5.635 1.00 0.00 C ATOM 1103 CD2 LEU A 74 -3.219 -4.141 -7.414 1.00 0.00 C ATOM 0 H LEU A 74 -5.535 -3.761 -4.438 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.345 -3.681 -7.222 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.394 -6.091 -5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.219 -5.754 -7.385 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.844 -3.985 -5.381 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.876 -5.464 -5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.272 -6.263 -4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.822 -6.664 -6.375 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.215 -3.763 -7.218 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.176 -4.896 -8.199 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.859 -3.320 -7.736 1.00 0.00 H new ATOM 1115 N ASN A 75 -8.709 -4.240 -5.838 1.00 0.00 N ATOM 1116 CA ASN A 75 -10.045 -4.805 -5.682 1.00 0.00 C ATOM 1117 C ASN A 75 -11.030 -4.143 -6.640 1.00 0.00 C ATOM 1118 O ASN A 75 -11.453 -3.007 -6.425 1.00 0.00 O ATOM 1119 CB ASN A 75 -10.527 -4.638 -4.240 1.00 0.00 C ATOM 1120 CG ASN A 75 -11.820 -5.384 -3.972 1.00 0.00 C ATOM 1121 OD1 ASN A 75 -12.063 -6.450 -4.538 1.00 0.00 O ATOM 1122 ND2 ASN A 75 -12.656 -4.826 -3.105 1.00 0.00 N ATOM 0 H ASN A 75 -8.652 -3.236 -5.665 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.993 -5.868 -5.919 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.756 -4.997 -3.558 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.672 -3.579 -4.029 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -13.541 -5.282 -2.884 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.413 -3.941 -2.660 1.00 0.00 H new ATOM 1129 N SER A 76 -11.393 -4.862 -7.698 1.00 0.00 N ATOM 1130 CA SER A 76 -12.327 -4.344 -8.690 1.00 0.00 C ATOM 1131 C SER A 76 -13.749 -4.323 -8.139 1.00 0.00 C ATOM 1132 O SER A 76 -14.409 -5.358 -8.053 1.00 0.00 O ATOM 1133 CB SER A 76 -12.273 -5.191 -9.963 1.00 0.00 C ATOM 1134 OG SER A 76 -11.155 -4.843 -10.761 1.00 0.00 O ATOM 0 H SER A 76 -11.054 -5.805 -7.890 1.00 0.00 H new ATOM 0 HA SER A 76 -12.034 -3.322 -8.930 1.00 0.00 H new ATOM 0 HB2 SER A 76 -12.220 -6.247 -9.699 1.00 0.00 H new ATOM 0 HB3 SER A 76 -13.190 -5.051 -10.536 1.00 0.00 H new ATOM 0 HG SER A 76 -11.143 -5.400 -11.567 1.00 0.00 H new ATOM 1140 N GLY A 77 -14.216 -3.135 -7.768 1.00 0.00 N ATOM 1141 CA GLY A 77 -15.557 -2.999 -7.229 1.00 0.00 C ATOM 1142 C GLY A 77 -16.415 -2.049 -8.041 1.00 0.00 C ATOM 1143 O GLY A 77 -15.943 -1.392 -8.969 1.00 0.00 O ATOM 0 H GLY A 77 -13.689 -2.264 -7.831 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.034 -3.979 -7.199 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.497 -2.641 -6.201 1.00 0.00 H new ATOM 1147 N PRO A 78 -17.707 -1.968 -7.693 1.00 0.00 N ATOM 1148 CA PRO A 78 -18.660 -1.094 -8.384 1.00 0.00 C ATOM 1149 C PRO A 78 -18.393 0.383 -8.115 1.00 0.00 C ATOM 1150 O PRO A 78 -17.784 0.740 -7.106 1.00 0.00 O ATOM 1151 CB PRO A 78 -20.012 -1.509 -7.797 1.00 0.00 C ATOM 1152 CG PRO A 78 -19.686 -2.071 -6.456 1.00 0.00 C ATOM 1153 CD PRO A 78 -18.338 -2.722 -6.596 1.00 0.00 C ATOM 0 HA PRO A 78 -18.599 -1.201 -9.467 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -20.687 -0.657 -7.716 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -20.507 -2.248 -8.427 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -19.664 -1.287 -5.699 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -20.438 -2.795 -6.143 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -17.760 -2.651 -5.675 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -18.426 -3.782 -6.836 1.00 0.00 H new ATOM 1161 N SER A 79 -18.853 1.238 -9.023 1.00 0.00 N ATOM 1162 CA SER A 79 -18.661 2.676 -8.884 1.00 0.00 C ATOM 1163 C SER A 79 -19.223 3.174 -7.556 1.00 0.00 C ATOM 1164 O SER A 79 -19.840 2.417 -6.807 1.00 0.00 O ATOM 1165 CB SER A 79 -19.332 3.416 -10.044 1.00 0.00 C ATOM 1166 OG SER A 79 -20.716 3.118 -10.106 1.00 0.00 O ATOM 0 H SER A 79 -19.361 0.959 -9.862 1.00 0.00 H new ATOM 0 HA SER A 79 -17.590 2.878 -8.904 1.00 0.00 H new ATOM 0 HB2 SER A 79 -19.193 4.490 -9.923 1.00 0.00 H new ATOM 0 HB3 SER A 79 -18.854 3.136 -10.983 1.00 0.00 H new ATOM 0 HG SER A 79 -21.122 3.604 -10.854 1.00 0.00 H new ATOM 1172 N SER A 80 -19.004 4.454 -7.271 1.00 0.00 N ATOM 1173 CA SER A 80 -19.484 5.054 -6.031 1.00 0.00 C ATOM 1174 C SER A 80 -19.663 6.560 -6.191 1.00 0.00 C ATOM 1175 O SER A 80 -18.932 7.208 -6.939 1.00 0.00 O ATOM 1176 CB SER A 80 -18.510 4.762 -4.888 1.00 0.00 C ATOM 1177 OG SER A 80 -17.381 5.617 -4.950 1.00 0.00 O ATOM 0 H SER A 80 -18.498 5.095 -7.882 1.00 0.00 H new ATOM 0 HA SER A 80 -20.453 4.614 -5.794 1.00 0.00 H new ATOM 0 HB2 SER A 80 -19.017 4.892 -3.932 1.00 0.00 H new ATOM 0 HB3 SER A 80 -18.186 3.722 -4.938 1.00 0.00 H new ATOM 0 HG SER A 80 -16.774 5.412 -4.208 1.00 0.00 H new ATOM 1183 N GLY A 81 -20.643 7.112 -5.481 1.00 0.00 N ATOM 1184 CA GLY A 81 -20.901 8.538 -5.557 1.00 0.00 C ATOM 1185 C GLY A 81 -19.957 9.346 -4.689 1.00 0.00 C ATOM 1186 O GLY A 81 -19.285 8.798 -3.815 1.00 0.00 O ATOM 0 H GLY A 81 -21.262 6.597 -4.855 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -20.808 8.866 -6.592 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -21.929 8.735 -5.251 1.00 0.00 H new TER 1190 GLY A 81