USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 852 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: B 43 SER OG : rot -104:sc= 1.26 USER MOD Set 1.2: B 44 THR OG1 : rot 115:sc= 2.02 USER MOD Set 2.1: B 38 GLN : amide:sc= 0.557 K(o=2.5,f=-0.18) USER MOD Set 2.2: B 39 GLN : amide:sc= 1.94 K(o=2.5,f=-0.09) USER MOD Set 3.1: B 17 CYS SG : rot 176:sc= 0.526 USER MOD Set 3.2: B 46 SER OG : rot 161:sc= 0.82 USER MOD Set 4.1: B 8 GLN : amide:sc= 0.0308 K(o=0.55,f=-0.19) USER MOD Set 4.2: B 30 SER OG : rot 180:sc= 0.519 USER MOD Set 5.1: B 3 HIS : no HE2:sc= 0.947 K(o=2.2,f=-11!) USER MOD Set 5.2: B 11 LYS NZ :NH3+ -153:sc= 1.25 (180deg=-2.25!) USER MOD Set 6.1: A 17 CYS SG : rot 174:sc= 0.341 USER MOD Set 6.2: A 46 SER OG : rot 158:sc= 0.97 USER MOD Set 7.1: A 43 SER OG : rot 180:sc= 0 USER MOD Set 7.2: A 44 THR OG1 : rot 129:sc= 0.938 USER MOD Set 8.1: A 8 GLN : amide:sc= 0.507 X(o=1.2,f=1.1) USER MOD Set 8.2: A 30 SER OG : rot 180:sc= 0.734 USER MOD Set 9.1: A 1 GLY N :NH3+ -160:sc= 1.27 (180deg=0) USER MOD Set 9.2: A 3 HIS : no HE2:sc= 1.1 K(o=2.4,f=-5.7!) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00196 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HE2:sc= -0.393 K(o=-0.39,f=-3.7!) USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= 1.32 (180deg=1.23) USER MOD Single : A 14 CYS SG : rot -81:sc= 0.432 USER MOD Single : A 16 CYS SG : rot 160:sc= 0.256 USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 2 (180deg=1.95) USER MOD Single : A 26 THR OG1 : rot 130:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.165 USER MOD Single : A 36 THR OG1 : rot 94:sc= 1.27 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 1.12 K(o=1.1,f=-0.089) USER MOD Single : A 54 THR OG1 : rot 101:sc= 1.19 USER MOD Single : A 55 ASN : amide:sc= 1.2 K(o=1.2,f=-0.032) USER MOD Single : A 56 GLN : amide:sc= 0.475! C(o=0.47!,f=-10!) USER MOD Single : B 1 GLY N :NH3+ 179:sc= 1.27 (180deg=1.24) USER MOD Single : B 2 SER OG : rot 180:sc= 0.0413 USER MOD Single : B 4 MET CE :methyl -173:sc= 0 (180deg=-0.058) USER MOD Single : B 10 HIS : no HE2:sc= 0.117 K(o=0.12,f=-4.2!) USER MOD Single : B 14 CYS SG : rot -81:sc= 0.456 USER MOD Single : B 16 CYS SG : rot 159:sc= -1.98! USER MOD Single : B 18 LYS NZ :NH3+ 169:sc= 0.219 (180deg=0.0185) USER MOD Single : B 26 THR OG1 : rot 160:sc= 0 USER MOD Single : B 29 SER OG : rot -170:sc= -0.111 USER MOD Single : B 36 THR OG1 : rot 84:sc= 1.2 USER MOD Single : B 54 THR OG1 : rot 78:sc= 1.17 USER MOD Single : B 55 ASN : amide:sc= -1.37! C(o=-1.4!,f=-2.3!) USER MOD Single : B 56 GLN : amide:sc= 1.65 K(o=1.7,f=-8.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.448 8.094 -4.906 1.00 0.00 N ATOM 2 CA GLY A 1 -27.294 8.928 -5.281 1.00 0.00 C ATOM 3 C GLY A 1 -25.999 8.184 -4.997 1.00 0.00 C ATOM 4 O GLY A 1 -25.997 6.954 -5.008 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.299 8.438 -5.396 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.266 7.107 -5.179 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.595 8.147 -3.878 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.350 9.186 -6.339 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.315 9.864 -4.723 1.00 0.00 H new ATOM 8 N SER A 2 -24.909 8.919 -4.756 1.00 0.00 N ATOM 9 CA SER A 2 -23.590 8.383 -4.440 1.00 0.00 C ATOM 10 C SER A 2 -23.624 7.638 -3.100 1.00 0.00 C ATOM 11 O SER A 2 -23.483 8.251 -2.040 1.00 0.00 O ATOM 12 CB SER A 2 -22.573 9.533 -4.426 1.00 0.00 C ATOM 13 OG SER A 2 -22.735 10.334 -5.582 1.00 0.00 O ATOM 0 H SER A 2 -24.926 9.939 -4.777 1.00 0.00 H new ATOM 0 HA SER A 2 -23.288 7.663 -5.201 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.709 10.140 -3.531 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.560 9.133 -4.389 1.00 0.00 H new ATOM 0 HG SER A 2 -22.084 11.067 -5.566 1.00 0.00 H new ATOM 19 N HIS A 3 -23.898 6.330 -3.140 1.00 0.00 N ATOM 20 CA HIS A 3 -24.109 5.494 -1.953 1.00 0.00 C ATOM 21 C HIS A 3 -23.284 4.198 -1.994 1.00 0.00 C ATOM 22 O HIS A 3 -23.351 3.407 -1.057 1.00 0.00 O ATOM 23 CB HIS A 3 -25.611 5.192 -1.792 1.00 0.00 C ATOM 24 CG HIS A 3 -26.519 6.402 -1.751 1.00 0.00 C ATOM 25 ND1 HIS A 3 -26.172 7.688 -1.392 1.00 0.00 N ATOM 26 CD2 HIS A 3 -27.841 6.419 -2.104 1.00 0.00 C ATOM 27 CE1 HIS A 3 -27.261 8.460 -1.531 1.00 0.00 C ATOM 28 NE2 HIS A 3 -28.295 7.739 -1.998 1.00 0.00 N ATOM 0 H HIS A 3 -23.981 5.813 -4.015 1.00 0.00 H new ATOM 0 HA HIS A 3 -23.759 6.052 -1.084 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -25.925 4.552 -2.616 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -25.753 4.622 -0.874 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -25.252 7.997 -1.077 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -28.429 5.566 -2.410 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -27.301 9.514 -1.300 1.00 0.00 H new ATOM 36 N MET A 4 -22.506 3.979 -3.062 1.00 0.00 N ATOM 37 CA MET A 4 -21.566 2.872 -3.171 1.00 0.00 C ATOM 38 C MET A 4 -20.435 3.086 -2.162 1.00 0.00 C ATOM 39 O MET A 4 -19.658 4.034 -2.293 1.00 0.00 O ATOM 40 CB MET A 4 -21.044 2.784 -4.615 1.00 0.00 C ATOM 41 CG MET A 4 -20.006 1.669 -4.791 1.00 0.00 C ATOM 42 SD MET A 4 -19.505 1.364 -6.506 1.00 0.00 S ATOM 43 CE MET A 4 -20.908 0.360 -7.062 1.00 0.00 C ATOM 0 H MET A 4 -22.518 4.581 -3.885 1.00 0.00 H new ATOM 0 HA MET A 4 -22.053 1.924 -2.941 1.00 0.00 H new ATOM 0 HB2 MET A 4 -21.881 2.609 -5.291 1.00 0.00 H new ATOM 0 HB3 MET A 4 -20.600 3.739 -4.897 1.00 0.00 H new ATOM 0 HG2 MET A 4 -19.120 1.920 -4.207 1.00 0.00 H new ATOM 0 HG3 MET A 4 -20.410 0.746 -4.375 1.00 0.00 H new ATOM 0 HE1 MET A 4 -20.765 0.081 -8.106 1.00 0.00 H new ATOM 0 HE2 MET A 4 -20.976 -0.541 -6.452 1.00 0.00 H new ATOM 0 HE3 MET A 4 -21.829 0.935 -6.963 1.00 0.00 H new ATOM 53 N ALA A 5 -20.345 2.206 -1.165 1.00 0.00 N ATOM 54 CA ALA A 5 -19.211 2.059 -0.273 1.00 0.00 C ATOM 55 C ALA A 5 -19.144 0.579 0.071 1.00 0.00 C ATOM 56 O ALA A 5 -20.176 -0.039 0.325 1.00 0.00 O ATOM 57 CB ALA A 5 -19.384 2.912 0.980 1.00 0.00 C ATOM 0 H ALA A 5 -21.097 1.550 -0.954 1.00 0.00 H new ATOM 0 HA ALA A 5 -18.287 2.398 -0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -18.519 2.782 1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -19.471 3.961 0.697 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -20.286 2.603 1.509 1.00 0.00 H new ATOM 63 N GLU A 6 -17.938 0.017 0.051 1.00 0.00 N ATOM 64 CA GLU A 6 -17.740 -1.417 -0.094 1.00 0.00 C ATOM 65 C GLU A 6 -16.672 -1.900 0.892 1.00 0.00 C ATOM 66 O GLU A 6 -15.847 -1.086 1.325 1.00 0.00 O ATOM 67 CB GLU A 6 -17.308 -1.671 -1.552 1.00 0.00 C ATOM 68 CG GLU A 6 -18.334 -1.177 -2.591 1.00 0.00 C ATOM 69 CD GLU A 6 -19.735 -1.784 -2.431 1.00 0.00 C ATOM 70 OE1 GLU A 6 -19.817 -2.951 -1.985 1.00 0.00 O ATOM 71 OE2 GLU A 6 -20.702 -1.062 -2.765 1.00 0.00 O ATOM 0 H GLU A 6 -17.071 0.547 0.135 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.655 -1.967 0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.354 -1.176 -1.732 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.145 -2.739 -1.694 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.411 -0.092 -2.522 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.963 -1.407 -3.590 1.00 0.00 H new ATOM 78 N PRO A 7 -16.634 -3.208 1.225 1.00 0.00 N ATOM 79 CA PRO A 7 -15.651 -3.795 2.134 1.00 0.00 C ATOM 80 C PRO A 7 -14.292 -3.943 1.427 1.00 0.00 C ATOM 81 O PRO A 7 -13.759 -5.044 1.282 1.00 0.00 O ATOM 82 CB PRO A 7 -16.275 -5.128 2.571 1.00 0.00 C ATOM 83 CG PRO A 7 -17.050 -5.561 1.329 1.00 0.00 C ATOM 84 CD PRO A 7 -17.570 -4.234 0.775 1.00 0.00 C ATOM 0 HA PRO A 7 -15.436 -3.178 3.007 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -15.515 -5.859 2.849 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -16.930 -5.005 3.434 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -16.410 -6.076 0.612 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -17.864 -6.243 1.577 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -17.624 -4.261 -0.313 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -18.577 -4.028 1.139 1.00 0.00 H new ATOM 92 N GLN A 8 -13.740 -2.811 0.986 1.00 0.00 N ATOM 93 CA GLN A 8 -12.563 -2.708 0.149 1.00 0.00 C ATOM 94 C GLN A 8 -11.657 -1.626 0.742 1.00 0.00 C ATOM 95 O GLN A 8 -10.628 -1.956 1.320 1.00 0.00 O ATOM 96 CB GLN A 8 -13.009 -2.463 -1.315 1.00 0.00 C ATOM 97 CG GLN A 8 -12.182 -3.251 -2.339 1.00 0.00 C ATOM 98 CD GLN A 8 -12.444 -4.753 -2.222 1.00 0.00 C ATOM 99 OE1 GLN A 8 -13.533 -5.234 -2.506 1.00 0.00 O ATOM 100 NE2 GLN A 8 -11.454 -5.504 -1.765 1.00 0.00 N ATOM 0 H GLN A 8 -14.130 -1.898 1.221 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.975 -3.625 0.125 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.059 -2.736 -1.419 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.933 -1.399 -1.538 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.428 -2.914 -3.346 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.122 -3.051 -2.186 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.556 -5.079 -1.535 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.590 -6.507 -1.643 1.00 0.00 H new ATOM 109 N ARG A 9 -12.024 -0.344 0.620 1.00 0.00 N ATOM 110 CA ARG A 9 -11.272 0.823 1.093 1.00 0.00 C ATOM 111 C ARG A 9 -11.029 0.752 2.605 1.00 0.00 C ATOM 112 O ARG A 9 -11.835 1.257 3.386 1.00 0.00 O ATOM 113 CB ARG A 9 -12.026 2.092 0.648 1.00 0.00 C ATOM 114 CG ARG A 9 -11.304 3.412 0.875 1.00 0.00 C ATOM 115 CD ARG A 9 -11.523 4.074 2.248 1.00 0.00 C ATOM 116 NE ARG A 9 -11.526 5.549 2.163 1.00 0.00 N ATOM 117 CZ ARG A 9 -12.576 6.303 1.795 1.00 0.00 C ATOM 118 NH1 ARG A 9 -13.733 5.754 1.434 1.00 0.00 N ATOM 119 NH2 ARG A 9 -12.499 7.629 1.764 1.00 0.00 N ATOM 0 H ARG A 9 -12.898 -0.080 0.165 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.276 0.845 0.650 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.252 2.002 -0.415 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -12.980 2.127 1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -10.235 3.247 0.740 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.618 4.113 0.102 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -12.470 3.734 2.666 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.739 3.753 2.933 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.661 6.034 2.403 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.838 4.739 1.433 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.515 6.348 1.159 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.630 8.096 2.023 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.309 8.180 1.481 1.00 0.00 H new ATOM 133 N HIS A 10 -9.914 0.146 3.019 1.00 0.00 N ATOM 134 CA HIS A 10 -9.599 -0.131 4.415 1.00 0.00 C ATOM 135 C HIS A 10 -8.294 0.554 4.798 1.00 0.00 C ATOM 136 O HIS A 10 -7.566 1.027 3.932 1.00 0.00 O ATOM 137 CB HIS A 10 -9.530 -1.645 4.632 1.00 0.00 C ATOM 138 CG HIS A 10 -10.836 -2.379 4.447 1.00 0.00 C ATOM 139 ND1 HIS A 10 -10.976 -3.684 4.049 1.00 0.00 N ATOM 140 CD2 HIS A 10 -12.093 -1.858 4.545 1.00 0.00 C ATOM 141 CE1 HIS A 10 -12.283 -3.940 3.917 1.00 0.00 C ATOM 142 NE2 HIS A 10 -13.014 -2.858 4.228 1.00 0.00 N ATOM 0 H HIS A 10 -9.190 -0.172 2.374 1.00 0.00 H new ATOM 0 HA HIS A 10 -10.382 0.268 5.060 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -8.796 -2.062 3.943 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -9.164 -1.835 5.641 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -10.217 -4.344 3.883 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -12.335 -0.842 4.821 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -12.694 -4.888 3.603 1.00 0.00 H new ATOM 150 N LYS A 11 -8.015 0.649 6.102 1.00 0.00 N ATOM 151 CA LYS A 11 -7.017 1.557 6.652 1.00 0.00 C ATOM 152 C LYS A 11 -6.196 0.821 7.702 1.00 0.00 C ATOM 153 O LYS A 11 -6.628 0.698 8.847 1.00 0.00 O ATOM 154 CB LYS A 11 -7.687 2.818 7.225 1.00 0.00 C ATOM 155 CG LYS A 11 -8.276 3.753 6.149 1.00 0.00 C ATOM 156 CD LYS A 11 -9.810 3.726 6.053 1.00 0.00 C ATOM 157 CE LYS A 11 -10.523 4.290 7.295 1.00 0.00 C ATOM 158 NZ LYS A 11 -10.268 5.733 7.506 1.00 0.00 N ATOM 0 H LYS A 11 -8.486 0.087 6.811 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.345 1.889 5.861 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.482 2.518 7.907 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.955 3.372 7.813 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.955 4.774 6.357 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.859 3.479 5.180 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.120 4.297 5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.136 2.698 5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.596 4.128 7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.197 3.737 8.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.043 6.145 8.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.371 5.856 8.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.211 6.214 6.586 1.00 0.00 H new ATOM 172 N ILE A 12 -5.027 0.311 7.310 1.00 0.00 N ATOM 173 CA ILE A 12 -4.087 -0.303 8.240 1.00 0.00 C ATOM 174 C ILE A 12 -3.241 0.838 8.803 1.00 0.00 C ATOM 175 O ILE A 12 -2.347 1.339 8.133 1.00 0.00 O ATOM 176 CB ILE A 12 -3.211 -1.385 7.565 1.00 0.00 C ATOM 177 CG1 ILE A 12 -4.036 -2.427 6.779 1.00 0.00 C ATOM 178 CG2 ILE A 12 -2.339 -2.048 8.651 1.00 0.00 C ATOM 179 CD1 ILE A 12 -3.152 -3.328 5.909 1.00 0.00 C ATOM 0 H ILE A 12 -4.709 0.313 6.341 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.620 -0.829 9.032 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.578 -0.906 6.818 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.602 -3.042 7.478 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.761 -1.913 6.148 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.712 -2.815 8.196 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.707 -1.294 9.120 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.981 -2.504 9.405 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.776 -4.045 5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.606 -2.717 5.190 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.445 -3.864 6.542 1.00 0.00 H new ATOM 191 N LEU A 13 -3.524 1.299 10.017 1.00 0.00 N ATOM 192 CA LEU A 13 -2.680 2.270 10.679 1.00 0.00 C ATOM 193 C LEU A 13 -1.347 1.611 11.010 1.00 0.00 C ATOM 194 O LEU A 13 -1.279 0.684 11.815 1.00 0.00 O ATOM 195 CB LEU A 13 -3.375 2.886 11.894 1.00 0.00 C ATOM 196 CG LEU A 13 -2.627 4.156 12.358 1.00 0.00 C ATOM 197 CD1 LEU A 13 -3.645 5.156 12.901 1.00 0.00 C ATOM 198 CD2 LEU A 13 -1.562 3.878 13.427 1.00 0.00 C ATOM 0 H LEU A 13 -4.338 1.010 10.560 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.485 3.111 10.014 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.406 3.135 11.643 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.411 2.160 12.707 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.101 4.557 11.492 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.129 6.057 13.232 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.357 5.413 12.117 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.177 4.713 13.743 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.076 4.812 13.708 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.034 3.437 14.305 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.819 3.187 13.029 1.00 0.00 H new ATOM 210 N CYS A 14 -0.302 2.102 10.355 1.00 0.00 N ATOM 211 CA CYS A 14 1.082 1.705 10.499 1.00 0.00 C ATOM 212 C CYS A 14 1.898 2.965 10.818 1.00 0.00 C ATOM 213 O CYS A 14 1.359 4.071 10.941 1.00 0.00 O ATOM 214 CB CYS A 14 1.502 1.040 9.175 1.00 0.00 C ATOM 215 SG CYS A 14 3.074 0.129 9.267 1.00 0.00 S ATOM 0 H CYS A 14 -0.414 2.841 9.661 1.00 0.00 H new ATOM 0 HA CYS A 14 1.245 0.992 11.307 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.715 0.355 8.860 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.584 1.807 8.405 1.00 0.00 H new ATOM 0 HG CYS A 14 4.066 0.963 9.161 1.00 0.00 H new ATOM 221 N VAL A 15 3.217 2.813 10.897 1.00 0.00 N ATOM 222 CA VAL A 15 4.146 3.920 10.749 1.00 0.00 C ATOM 223 C VAL A 15 4.953 3.713 9.470 1.00 0.00 C ATOM 224 O VAL A 15 5.068 2.592 8.967 1.00 0.00 O ATOM 225 CB VAL A 15 5.039 4.094 11.991 1.00 0.00 C ATOM 226 CG1 VAL A 15 4.207 4.596 13.178 1.00 0.00 C ATOM 227 CG2 VAL A 15 5.790 2.807 12.363 1.00 0.00 C ATOM 0 H VAL A 15 3.669 1.914 11.066 1.00 0.00 H new ATOM 0 HA VAL A 15 3.588 4.853 10.665 1.00 0.00 H new ATOM 0 HB VAL A 15 5.795 4.838 11.741 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.851 4.715 14.049 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.756 5.556 12.926 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.422 3.874 13.403 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.404 2.986 13.245 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.072 2.015 12.576 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.428 2.505 11.532 1.00 0.00 H new ATOM 237 N CYS A 16 5.511 4.805 8.952 1.00 0.00 N ATOM 238 CA CYS A 16 6.494 4.774 7.892 1.00 0.00 C ATOM 239 C CYS A 16 7.805 4.250 8.462 1.00 0.00 C ATOM 240 O CYS A 16 8.290 4.795 9.453 1.00 0.00 O ATOM 241 CB CYS A 16 6.718 6.183 7.349 1.00 0.00 C ATOM 242 SG CYS A 16 7.630 5.971 5.808 1.00 0.00 S ATOM 0 H CYS A 16 5.283 5.748 9.268 1.00 0.00 H new ATOM 0 HA CYS A 16 6.142 4.130 7.086 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.770 6.692 7.176 1.00 0.00 H new ATOM 0 HB3 CYS A 16 7.281 6.791 8.057 1.00 0.00 H new ATOM 0 HG CYS A 16 7.502 7.039 5.077 1.00 0.00 H new ATOM 247 N CYS A 17 8.409 3.259 7.807 1.00 0.00 N ATOM 248 CA CYS A 17 9.597 2.579 8.317 1.00 0.00 C ATOM 249 C CYS A 17 10.762 3.546 8.583 1.00 0.00 C ATOM 250 O CYS A 17 11.508 3.377 9.543 1.00 0.00 O ATOM 251 CB CYS A 17 10.009 1.516 7.300 1.00 0.00 C ATOM 252 SG CYS A 17 11.090 0.282 8.065 1.00 0.00 S ATOM 0 H CYS A 17 8.087 2.905 6.906 1.00 0.00 H new ATOM 0 HA CYS A 17 9.353 2.124 9.277 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.121 1.029 6.896 1.00 0.00 H new ATOM 0 HB3 CYS A 17 10.523 1.987 6.462 1.00 0.00 H new ATOM 0 HG CYS A 17 11.323 -0.676 7.217 1.00 0.00 H new ATOM 258 N LYS A 18 10.905 4.576 7.740 1.00 0.00 N ATOM 259 CA LYS A 18 12.049 5.481 7.720 1.00 0.00 C ATOM 260 C LYS A 18 11.741 6.859 8.302 1.00 0.00 C ATOM 261 O LYS A 18 12.667 7.632 8.531 1.00 0.00 O ATOM 262 CB LYS A 18 12.566 5.568 6.281 1.00 0.00 C ATOM 263 CG LYS A 18 11.490 6.016 5.269 1.00 0.00 C ATOM 264 CD LYS A 18 11.982 5.812 3.835 1.00 0.00 C ATOM 265 CE LYS A 18 13.127 6.757 3.467 1.00 0.00 C ATOM 266 NZ LYS A 18 12.673 8.156 3.313 1.00 0.00 N ATOM 0 H LYS A 18 10.205 4.805 7.035 1.00 0.00 H new ATOM 0 HA LYS A 18 12.824 5.076 8.371 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.402 6.267 6.245 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.952 4.594 5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.573 5.448 5.429 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.246 7.066 5.430 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.313 4.781 3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.153 5.966 3.145 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.896 6.710 4.238 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.587 6.422 2.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.496 8.774 3.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.035 8.226 2.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.168 8.453 4.172 1.00 0.00 H new ATOM 280 N CYS A 19 10.464 7.170 8.543 1.00 0.00 N ATOM 281 CA CYS A 19 10.043 8.389 9.210 1.00 0.00 C ATOM 282 C CYS A 19 9.595 8.146 10.654 1.00 0.00 C ATOM 283 O CYS A 19 9.494 9.110 11.407 1.00 0.00 O ATOM 284 CB CYS A 19 8.906 9.041 8.448 1.00 0.00 C ATOM 285 SG CYS A 19 8.900 8.968 6.639 1.00 0.00 S ATOM 0 H CYS A 19 9.687 6.567 8.273 1.00 0.00 H new ATOM 0 HA CYS A 19 10.913 9.046 9.232 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.976 8.592 8.798 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.879 10.092 8.734 1.00 0.00 H new ATOM 290 N ASP A 20 9.258 6.895 11.006 1.00 0.00 N ATOM 291 CA ASP A 20 8.506 6.513 12.206 1.00 0.00 C ATOM 292 C ASP A 20 7.239 7.372 12.391 1.00 0.00 C ATOM 293 O ASP A 20 6.804 7.667 13.501 1.00 0.00 O ATOM 294 CB ASP A 20 9.442 6.470 13.421 1.00 0.00 C ATOM 295 CG ASP A 20 8.794 5.799 14.640 1.00 0.00 C ATOM 296 OD1 ASP A 20 8.053 4.810 14.430 1.00 0.00 O ATOM 297 OD2 ASP A 20 9.099 6.242 15.770 1.00 0.00 O ATOM 0 H ASP A 20 9.515 6.089 10.436 1.00 0.00 H new ATOM 0 HA ASP A 20 8.120 5.501 12.086 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.352 5.932 13.155 1.00 0.00 H new ATOM 0 HB3 ASP A 20 9.737 7.486 13.684 1.00 0.00 H new ATOM 302 N GLY A 21 6.645 7.802 11.269 1.00 0.00 N ATOM 303 CA GLY A 21 5.490 8.692 11.259 1.00 0.00 C ATOM 304 C GLY A 21 4.233 7.912 10.923 1.00 0.00 C ATOM 305 O GLY A 21 4.276 6.991 10.113 1.00 0.00 O ATOM 0 H GLY A 21 6.961 7.535 10.337 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.381 9.170 12.233 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.640 9.487 10.528 1.00 0.00 H new ATOM 309 N ARG A 22 3.118 8.316 11.528 1.00 0.00 N ATOM 310 CA ARG A 22 1.808 7.674 11.465 1.00 0.00 C ATOM 311 C ARG A 22 1.331 7.659 10.020 1.00 0.00 C ATOM 312 O ARG A 22 1.034 8.727 9.481 1.00 0.00 O ATOM 313 CB ARG A 22 0.858 8.447 12.404 1.00 0.00 C ATOM 314 CG ARG A 22 -0.600 7.954 12.474 1.00 0.00 C ATOM 315 CD ARG A 22 -1.557 8.651 11.489 1.00 0.00 C ATOM 316 NE ARG A 22 -2.961 8.463 11.901 1.00 0.00 N ATOM 317 CZ ARG A 22 -4.049 8.561 11.124 1.00 0.00 C ATOM 318 NH1 ARG A 22 -4.007 9.080 9.901 1.00 0.00 N ATOM 319 NH2 ARG A 22 -5.223 8.098 11.541 1.00 0.00 N ATOM 0 H ARG A 22 3.105 9.153 12.111 1.00 0.00 H new ATOM 0 HA ARG A 22 1.844 6.636 11.797 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.276 8.417 13.410 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.849 9.492 12.094 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.617 6.881 12.281 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.972 8.101 13.488 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.326 9.715 11.442 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.410 8.249 10.487 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.121 8.234 12.882 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.124 9.422 9.522 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.858 9.137 9.341 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.302 7.663 12.460 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.045 8.178 10.942 1.00 0.00 H new ATOM 333 N ILE A 23 1.213 6.472 9.413 1.00 0.00 N ATOM 334 CA ILE A 23 0.544 6.329 8.131 1.00 0.00 C ATOM 335 C ILE A 23 -0.704 5.481 8.348 1.00 0.00 C ATOM 336 O ILE A 23 -0.627 4.309 8.706 1.00 0.00 O ATOM 337 CB ILE A 23 1.400 5.705 7.005 1.00 0.00 C ATOM 338 CG1 ILE A 23 2.853 6.193 6.859 1.00 0.00 C ATOM 339 CG2 ILE A 23 0.627 6.037 5.704 1.00 0.00 C ATOM 340 CD1 ILE A 23 3.646 5.256 5.929 1.00 0.00 C ATOM 0 H ILE A 23 1.576 5.599 9.797 1.00 0.00 H new ATOM 0 HA ILE A 23 0.315 7.337 7.784 1.00 0.00 H new ATOM 0 HB ILE A 23 1.523 4.647 7.238 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.864 7.207 6.459 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.330 6.232 7.838 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.165 5.630 4.847 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.369 5.596 5.750 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.541 7.118 5.598 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.671 5.616 5.837 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.651 4.249 6.346 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.178 5.239 4.945 1.00 0.00 H new ATOM 352 N GLU A 24 -1.864 6.062 8.076 1.00 0.00 N ATOM 353 CA GLU A 24 -3.104 5.331 7.903 1.00 0.00 C ATOM 354 C GLU A 24 -3.093 4.715 6.498 1.00 0.00 C ATOM 355 O GLU A 24 -3.482 5.370 5.527 1.00 0.00 O ATOM 356 CB GLU A 24 -4.220 6.332 8.186 1.00 0.00 C ATOM 357 CG GLU A 24 -5.635 5.774 8.120 1.00 0.00 C ATOM 358 CD GLU A 24 -6.693 6.807 8.545 1.00 0.00 C ATOM 359 OE1 GLU A 24 -6.324 7.857 9.136 1.00 0.00 O ATOM 360 OE2 GLU A 24 -7.887 6.515 8.312 1.00 0.00 O ATOM 0 H GLU A 24 -1.968 7.071 7.968 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.249 4.490 8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.061 6.755 9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.138 7.152 7.473 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.844 5.441 7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.708 4.898 8.764 1.00 0.00 H new ATOM 367 N LEU A 25 -2.558 3.488 6.379 1.00 0.00 N ATOM 368 CA LEU A 25 -2.316 2.831 5.097 1.00 0.00 C ATOM 369 C LEU A 25 -3.659 2.495 4.472 1.00 0.00 C ATOM 370 O LEU A 25 -4.261 1.470 4.807 1.00 0.00 O ATOM 371 CB LEU A 25 -1.491 1.532 5.209 1.00 0.00 C ATOM 372 CG LEU A 25 -0.136 1.606 5.925 1.00 0.00 C ATOM 373 CD1 LEU A 25 0.501 0.210 5.969 1.00 0.00 C ATOM 374 CD2 LEU A 25 0.784 2.556 5.171 1.00 0.00 C ATOM 0 H LEU A 25 -2.281 2.924 7.183 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.734 3.524 4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.102 0.790 5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.317 1.157 4.200 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.284 1.969 6.942 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.463 0.265 6.478 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.156 -0.473 6.508 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.649 -0.155 4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.747 2.609 5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.930 2.191 4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.335 3.549 5.139 1.00 0.00 H new ATOM 386 N THR A 26 -4.147 3.369 3.592 1.00 0.00 N ATOM 387 CA THR A 26 -5.390 3.098 2.906 1.00 0.00 C ATOM 388 C THR A 26 -5.097 2.141 1.751 1.00 0.00 C ATOM 389 O THR A 26 -4.561 2.543 0.720 1.00 0.00 O ATOM 390 CB THR A 26 -6.136 4.374 2.519 1.00 0.00 C ATOM 391 OG1 THR A 26 -6.235 5.209 3.661 1.00 0.00 O ATOM 392 CG2 THR A 26 -7.553 3.990 2.059 1.00 0.00 C ATOM 0 H THR A 26 -3.703 4.254 3.347 1.00 0.00 H new ATOM 0 HA THR A 26 -6.094 2.602 3.574 1.00 0.00 H new ATOM 0 HB THR A 26 -5.608 4.895 1.721 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.934 6.113 3.432 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.101 4.890 1.779 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.488 3.322 1.200 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.075 3.486 2.872 1.00 0.00 H new ATOM 400 N VAL A 27 -5.412 0.863 1.951 1.00 0.00 N ATOM 401 CA VAL A 27 -5.252 -0.191 0.956 1.00 0.00 C ATOM 402 C VAL A 27 -6.668 -0.705 0.712 1.00 0.00 C ATOM 403 O VAL A 27 -7.472 -0.843 1.639 1.00 0.00 O ATOM 404 CB VAL A 27 -4.211 -1.256 1.431 1.00 0.00 C ATOM 405 CG1 VAL A 27 -2.916 -0.561 1.878 1.00 0.00 C ATOM 406 CG2 VAL A 27 -4.706 -2.063 2.646 1.00 0.00 C ATOM 0 H VAL A 27 -5.796 0.525 2.834 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.827 0.147 0.011 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.053 -1.922 0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.196 -1.310 2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.498 0.001 1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.134 0.120 2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.946 -2.788 2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.897 -1.386 3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.626 -2.586 2.385 1.00 0.00 H new ATOM 416 N GLU A 28 -7.026 -0.882 -0.556 1.00 0.00 N ATOM 417 CA GLU A 28 -8.401 -1.128 -0.943 1.00 0.00 C ATOM 418 C GLU A 28 -8.441 -2.649 -1.116 1.00 0.00 C ATOM 419 O GLU A 28 -8.045 -3.210 -2.136 1.00 0.00 O ATOM 420 CB GLU A 28 -8.713 -0.224 -2.142 1.00 0.00 C ATOM 421 CG GLU A 28 -10.186 0.184 -2.243 1.00 0.00 C ATOM 422 CD GLU A 28 -10.646 0.419 -3.683 1.00 0.00 C ATOM 423 OE1 GLU A 28 -10.419 -0.491 -4.516 1.00 0.00 O ATOM 424 OE2 GLU A 28 -11.214 1.501 -3.943 1.00 0.00 O ATOM 0 H GLU A 28 -6.371 -0.858 -1.337 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.198 -0.868 -0.247 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.100 0.675 -2.076 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.425 -0.739 -3.058 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.804 -0.593 -1.793 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.345 1.094 -1.664 1.00 0.00 H new ATOM 431 N SER A 29 -8.729 -3.348 -0.019 1.00 0.00 N ATOM 432 CA SER A 29 -8.388 -4.738 0.154 1.00 0.00 C ATOM 433 C SER A 29 -9.417 -5.446 1.015 1.00 0.00 C ATOM 434 O SER A 29 -9.736 -4.963 2.095 1.00 0.00 O ATOM 435 CB SER A 29 -7.059 -4.741 0.897 1.00 0.00 C ATOM 436 OG SER A 29 -6.060 -3.993 0.228 1.00 0.00 O ATOM 0 H SER A 29 -9.215 -2.946 0.783 1.00 0.00 H new ATOM 0 HA SER A 29 -8.345 -5.248 -0.808 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.205 -4.333 1.897 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.717 -5.769 1.019 1.00 0.00 H new ATOM 0 HG SER A 29 -5.228 -4.024 0.744 1.00 0.00 H new ATOM 442 N SER A 30 -9.914 -6.593 0.556 1.00 0.00 N ATOM 443 CA SER A 30 -10.987 -7.325 1.225 1.00 0.00 C ATOM 444 C SER A 30 -10.518 -7.702 2.623 1.00 0.00 C ATOM 445 O SER A 30 -9.347 -8.030 2.773 1.00 0.00 O ATOM 446 CB SER A 30 -11.323 -8.588 0.433 1.00 0.00 C ATOM 447 OG SER A 30 -11.520 -8.266 -0.934 1.00 0.00 O ATOM 0 H SER A 30 -9.581 -7.043 -0.296 1.00 0.00 H new ATOM 0 HA SER A 30 -11.880 -6.703 1.288 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.516 -9.314 0.531 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.221 -9.053 0.839 1.00 0.00 H new ATOM 0 HG SER A 30 -11.733 -9.081 -1.435 1.00 0.00 H new ATOM 453 N ALA A 31 -11.387 -7.686 3.640 1.00 0.00 N ATOM 454 CA ALA A 31 -10.943 -7.667 5.036 1.00 0.00 C ATOM 455 C ALA A 31 -9.922 -8.750 5.398 1.00 0.00 C ATOM 456 O ALA A 31 -9.001 -8.474 6.169 1.00 0.00 O ATOM 457 CB ALA A 31 -12.148 -7.779 5.972 1.00 0.00 C ATOM 0 H ALA A 31 -12.400 -7.686 3.522 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.432 -6.712 5.162 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.807 -7.764 7.007 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.822 -6.940 5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.675 -8.713 5.777 1.00 0.00 H new ATOM 463 N GLU A 32 -10.039 -9.956 4.828 1.00 0.00 N ATOM 464 CA GLU A 32 -9.154 -11.051 5.179 1.00 0.00 C ATOM 465 C GLU A 32 -8.010 -11.257 4.185 1.00 0.00 C ATOM 466 O GLU A 32 -6.991 -11.877 4.496 1.00 0.00 O ATOM 467 CB GLU A 32 -9.948 -12.320 5.491 1.00 0.00 C ATOM 468 CG GLU A 32 -9.316 -12.933 6.750 1.00 0.00 C ATOM 469 CD GLU A 32 -9.990 -14.171 7.332 1.00 0.00 C ATOM 470 OE1 GLU A 32 -10.932 -14.708 6.711 1.00 0.00 O ATOM 471 OE2 GLU A 32 -9.528 -14.550 8.435 1.00 0.00 O ATOM 0 H GLU A 32 -10.740 -10.188 4.124 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.643 -10.770 6.100 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.000 -12.088 5.659 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.905 -13.019 4.656 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.281 -13.188 6.520 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.291 -12.166 7.524 1.00 0.00 H new ATOM 478 N ASP A 33 -8.128 -10.640 3.016 1.00 0.00 N ATOM 479 CA ASP A 33 -7.038 -10.412 2.098 1.00 0.00 C ATOM 480 C ASP A 33 -6.112 -9.335 2.701 1.00 0.00 C ATOM 481 O ASP A 33 -4.893 -9.488 2.747 1.00 0.00 O ATOM 482 CB ASP A 33 -7.661 -10.029 0.747 1.00 0.00 C ATOM 483 CG ASP A 33 -6.755 -10.353 -0.433 1.00 0.00 C ATOM 484 OD1 ASP A 33 -5.535 -10.150 -0.293 1.00 0.00 O ATOM 485 OD2 ASP A 33 -7.304 -10.751 -1.489 1.00 0.00 O ATOM 0 H ASP A 33 -9.018 -10.275 2.677 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.414 -11.290 1.934 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.608 -10.554 0.627 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.886 -8.962 0.745 1.00 0.00 H new ATOM 490 N LEU A 34 -6.712 -8.310 3.326 1.00 0.00 N ATOM 491 CA LEU A 34 -6.043 -7.304 4.147 1.00 0.00 C ATOM 492 C LEU A 34 -5.365 -7.965 5.336 1.00 0.00 C ATOM 493 O LEU A 34 -4.208 -7.684 5.621 1.00 0.00 O ATOM 494 CB LEU A 34 -7.041 -6.213 4.566 1.00 0.00 C ATOM 495 CG LEU A 34 -6.515 -5.250 5.655 1.00 0.00 C ATOM 496 CD1 LEU A 34 -7.101 -3.860 5.399 1.00 0.00 C ATOM 497 CD2 LEU A 34 -6.917 -5.662 7.082 1.00 0.00 C ATOM 0 H LEU A 34 -7.719 -8.158 3.267 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.262 -6.815 3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.316 -5.631 3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.951 -6.690 4.929 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.427 -5.270 5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.740 -3.167 6.159 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.792 -3.511 4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.189 -3.910 5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.515 -4.943 7.795 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.004 -5.683 7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.518 -6.652 7.301 1.00 0.00 H new ATOM 509 N ARG A 35 -6.081 -8.857 6.015 1.00 0.00 N ATOM 510 CA ARG A 35 -5.555 -9.655 7.126 1.00 0.00 C ATOM 511 C ARG A 35 -4.337 -10.416 6.642 1.00 0.00 C ATOM 512 O ARG A 35 -3.304 -10.354 7.293 1.00 0.00 O ATOM 513 CB ARG A 35 -6.594 -10.633 7.695 1.00 0.00 C ATOM 514 CG ARG A 35 -6.127 -11.326 8.986 1.00 0.00 C ATOM 515 CD ARG A 35 -7.096 -12.433 9.426 1.00 0.00 C ATOM 516 NE ARG A 35 -6.606 -13.112 10.636 1.00 0.00 N ATOM 517 CZ ARG A 35 -7.075 -14.256 11.157 1.00 0.00 C ATOM 518 NH1 ARG A 35 -8.090 -14.927 10.613 1.00 0.00 N ATOM 519 NH2 ARG A 35 -6.506 -14.743 12.261 1.00 0.00 N ATOM 0 H ARG A 35 -7.061 -9.051 5.807 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.290 -8.975 7.935 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.521 -10.094 7.894 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.820 -11.390 6.945 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.136 -11.752 8.831 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.035 -10.587 9.782 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.080 -12.005 9.618 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.215 -13.158 8.621 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.831 -12.668 11.129 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.541 -14.574 9.769 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.416 -15.794 11.041 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.728 -14.247 12.695 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.849 -15.611 12.671 1.00 0.00 H new ATOM 533 N THR A 36 -4.453 -11.121 5.518 1.00 0.00 N ATOM 534 CA THR A 36 -3.367 -11.886 4.915 1.00 0.00 C ATOM 535 C THR A 36 -2.160 -10.972 4.653 1.00 0.00 C ATOM 536 O THR A 36 -1.053 -11.254 5.125 1.00 0.00 O ATOM 537 CB THR A 36 -3.882 -12.604 3.652 1.00 0.00 C ATOM 538 OG1 THR A 36 -4.996 -13.414 3.985 1.00 0.00 O ATOM 539 CG2 THR A 36 -2.814 -13.512 3.036 1.00 0.00 C ATOM 0 H THR A 36 -5.324 -11.176 4.991 1.00 0.00 H new ATOM 0 HA THR A 36 -3.020 -12.661 5.599 1.00 0.00 H new ATOM 0 HB THR A 36 -4.153 -11.832 2.932 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.823 -12.913 3.828 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.218 -13.999 2.148 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.945 -12.915 2.759 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.518 -14.269 3.762 1.00 0.00 H new ATOM 547 N LEU A 37 -2.368 -9.841 3.967 1.00 0.00 N ATOM 548 CA LEU A 37 -1.283 -8.900 3.709 1.00 0.00 C ATOM 549 C LEU A 37 -0.730 -8.315 5.030 1.00 0.00 C ATOM 550 O LEU A 37 0.467 -8.069 5.159 1.00 0.00 O ATOM 551 CB LEU A 37 -1.682 -7.891 2.609 1.00 0.00 C ATOM 552 CG LEU A 37 -2.056 -6.461 3.055 1.00 0.00 C ATOM 553 CD1 LEU A 37 -0.831 -5.524 2.948 1.00 0.00 C ATOM 554 CD2 LEU A 37 -3.201 -5.916 2.186 1.00 0.00 C ATOM 0 H LEU A 37 -3.272 -9.561 3.585 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.422 -9.416 3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.854 -7.818 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.530 -8.306 2.064 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.382 -6.500 4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.112 -4.520 3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.031 -5.897 3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.485 -5.494 1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.455 -4.907 2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.887 -5.893 1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.074 -6.561 2.288 1.00 0.00 H new ATOM 566 N GLN A 38 -1.562 -8.184 6.068 1.00 0.00 N ATOM 567 CA GLN A 38 -1.135 -7.785 7.397 1.00 0.00 C ATOM 568 C GLN A 38 -0.331 -8.904 8.076 1.00 0.00 C ATOM 569 O GLN A 38 0.551 -8.600 8.875 1.00 0.00 O ATOM 570 CB GLN A 38 -2.365 -7.363 8.205 1.00 0.00 C ATOM 571 CG GLN A 38 -2.061 -6.851 9.614 1.00 0.00 C ATOM 572 CD GLN A 38 -3.368 -6.445 10.284 1.00 0.00 C ATOM 573 OE1 GLN A 38 -3.838 -7.098 11.207 1.00 0.00 O ATOM 574 NE2 GLN A 38 -4.016 -5.400 9.783 1.00 0.00 N ATOM 0 H GLN A 38 -2.565 -8.357 5.999 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.461 -6.931 7.333 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.893 -6.583 7.656 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.042 -8.214 8.281 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.563 -7.626 10.197 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.381 -6.000 9.567 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.609 -4.868 9.014 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.921 -5.129 10.167 1.00 0.00 H new ATOM 583 N GLN A 39 -0.563 -10.183 7.746 1.00 0.00 N ATOM 584 CA GLN A 39 0.292 -11.269 8.197 1.00 0.00 C ATOM 585 C GLN A 39 1.658 -11.151 7.525 1.00 0.00 C ATOM 586 O GLN A 39 2.666 -11.391 8.183 1.00 0.00 O ATOM 587 CB GLN A 39 -0.293 -12.669 7.968 1.00 0.00 C ATOM 588 CG GLN A 39 -1.723 -12.896 8.471 1.00 0.00 C ATOM 589 CD GLN A 39 -2.035 -12.286 9.838 1.00 0.00 C ATOM 590 OE1 GLN A 39 -1.712 -12.847 10.876 1.00 0.00 O ATOM 591 NE2 GLN A 39 -2.698 -11.137 9.856 1.00 0.00 N ATOM 0 H GLN A 39 -1.345 -10.483 7.163 1.00 0.00 H new ATOM 0 HA GLN A 39 0.382 -11.163 9.278 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.269 -12.880 6.899 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.360 -13.396 8.451 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.418 -12.484 7.740 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.909 -13.969 8.518 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.958 -10.685 8.980 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.947 -10.706 10.746 1.00 0.00 H new ATOM 600 N LEU A 40 1.714 -10.717 6.254 1.00 0.00 N ATOM 601 CA LEU A 40 2.989 -10.316 5.655 1.00 0.00 C ATOM 602 C LEU A 40 3.646 -9.210 6.486 1.00 0.00 C ATOM 603 O LEU A 40 4.832 -9.318 6.785 1.00 0.00 O ATOM 604 CB LEU A 40 2.870 -9.879 4.189 1.00 0.00 C ATOM 605 CG LEU A 40 2.005 -10.738 3.252 1.00 0.00 C ATOM 606 CD1 LEU A 40 1.885 -10.030 1.897 1.00 0.00 C ATOM 607 CD2 LEU A 40 2.518 -12.162 3.043 1.00 0.00 C ATOM 0 H LEU A 40 0.906 -10.637 5.636 1.00 0.00 H new ATOM 0 HA LEU A 40 3.619 -11.206 5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.474 -8.864 4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.875 -9.835 3.770 1.00 0.00 H new ATOM 0 HG LEU A 40 1.035 -10.843 3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.273 -10.632 1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.419 -9.054 2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.877 -9.900 1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.847 -12.695 2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.517 -12.129 2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.556 -12.679 4.002 1.00 0.00 H new ATOM 619 N PHE A 41 2.905 -8.171 6.900 1.00 0.00 N ATOM 620 CA PHE A 41 3.472 -7.101 7.739 1.00 0.00 C ATOM 621 C PHE A 41 4.001 -7.651 9.064 1.00 0.00 C ATOM 622 O PHE A 41 5.093 -7.296 9.495 1.00 0.00 O ATOM 623 CB PHE A 41 2.469 -5.960 7.973 1.00 0.00 C ATOM 624 CG PHE A 41 2.552 -4.851 6.943 1.00 0.00 C ATOM 625 CD1 PHE A 41 2.134 -5.074 5.618 1.00 0.00 C ATOM 626 CD2 PHE A 41 3.087 -3.598 7.301 1.00 0.00 C ATOM 627 CE1 PHE A 41 2.268 -4.063 4.652 1.00 0.00 C ATOM 628 CE2 PHE A 41 3.208 -2.582 6.339 1.00 0.00 C ATOM 629 CZ PHE A 41 2.814 -2.822 5.012 1.00 0.00 C ATOM 0 H PHE A 41 1.919 -8.048 6.670 1.00 0.00 H new ATOM 0 HA PHE A 41 4.316 -6.682 7.191 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.459 -6.370 7.971 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.639 -5.537 8.963 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.708 -6.027 5.342 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.405 -3.418 8.317 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.951 -4.241 3.635 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.604 -1.617 6.619 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.932 -2.049 4.267 1.00 0.00 H new ATOM 639 N LEU A 42 3.238 -8.544 9.694 1.00 0.00 N ATOM 640 CA LEU A 42 3.630 -9.224 10.920 1.00 0.00 C ATOM 641 C LEU A 42 4.848 -10.137 10.715 1.00 0.00 C ATOM 642 O LEU A 42 5.598 -10.349 11.666 1.00 0.00 O ATOM 643 CB LEU A 42 2.422 -10.025 11.426 1.00 0.00 C ATOM 644 CG LEU A 42 1.364 -9.155 12.137 1.00 0.00 C ATOM 645 CD1 LEU A 42 0.030 -9.907 12.224 1.00 0.00 C ATOM 646 CD2 LEU A 42 1.813 -8.764 13.553 1.00 0.00 C ATOM 0 H LEU A 42 2.315 -8.817 9.358 1.00 0.00 H new ATOM 0 HA LEU A 42 3.931 -8.482 11.659 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.955 -10.536 10.584 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.769 -10.796 12.114 1.00 0.00 H new ATOM 0 HG LEU A 42 1.241 -8.246 11.548 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.708 -9.282 12.728 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.320 -10.144 11.219 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.169 -10.830 12.787 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.043 -8.152 14.023 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.972 -9.665 14.146 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.743 -8.198 13.497 1.00 0.00 H new ATOM 658 N SER A 43 5.047 -10.681 9.509 1.00 0.00 N ATOM 659 CA SER A 43 6.152 -11.561 9.173 1.00 0.00 C ATOM 660 C SER A 43 7.424 -10.769 8.836 1.00 0.00 C ATOM 661 O SER A 43 8.475 -10.980 9.441 1.00 0.00 O ATOM 662 CB SER A 43 5.710 -12.438 7.989 1.00 0.00 C ATOM 663 OG SER A 43 6.667 -13.423 7.660 1.00 0.00 O ATOM 0 H SER A 43 4.420 -10.511 8.723 1.00 0.00 H new ATOM 0 HA SER A 43 6.401 -12.186 10.031 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.764 -12.922 8.232 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.530 -11.806 7.120 1.00 0.00 H new ATOM 0 HG SER A 43 6.342 -13.956 6.904 1.00 0.00 H new ATOM 669 N THR A 44 7.326 -9.882 7.845 1.00 0.00 N ATOM 670 CA THR A 44 8.426 -9.354 7.065 1.00 0.00 C ATOM 671 C THR A 44 8.272 -7.902 6.609 1.00 0.00 C ATOM 672 O THR A 44 9.275 -7.260 6.297 1.00 0.00 O ATOM 673 CB THR A 44 8.548 -10.232 5.797 1.00 0.00 C ATOM 674 OG1 THR A 44 7.269 -10.660 5.354 1.00 0.00 O ATOM 675 CG2 THR A 44 9.389 -11.474 6.070 1.00 0.00 C ATOM 0 H THR A 44 6.426 -9.498 7.556 1.00 0.00 H new ATOM 0 HA THR A 44 9.302 -9.373 7.714 1.00 0.00 H new ATOM 0 HB THR A 44 9.025 -9.620 5.031 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.166 -10.451 4.402 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.458 -12.073 5.162 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.389 -11.175 6.385 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.922 -12.064 6.859 1.00 0.00 H new ATOM 683 N LEU A 45 7.038 -7.409 6.499 1.00 0.00 N ATOM 684 CA LEU A 45 6.734 -6.241 5.670 1.00 0.00 C ATOM 685 C LEU A 45 6.612 -4.912 6.416 1.00 0.00 C ATOM 686 O LEU A 45 6.174 -4.858 7.563 1.00 0.00 O ATOM 687 CB LEU A 45 5.455 -6.535 4.863 1.00 0.00 C ATOM 688 CG LEU A 45 5.714 -6.536 3.363 1.00 0.00 C ATOM 689 CD1 LEU A 45 6.612 -7.723 3.009 1.00 0.00 C ATOM 690 CD2 LEU A 45 4.391 -6.641 2.598 1.00 0.00 C ATOM 0 H LEU A 45 6.228 -7.803 6.977 1.00 0.00 H new ATOM 0 HA LEU A 45 7.596 -6.095 5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.052 -7.503 5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.697 -5.788 5.099 1.00 0.00 H new ATOM 0 HG LEU A 45 6.207 -5.605 3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.801 -7.729 1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.558 -7.636 3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.118 -8.651 3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.589 -6.641 1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.884 -7.566 2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.757 -5.791 2.850 1.00 0.00 H new ATOM 702 N SER A 46 6.913 -3.827 5.696 1.00 0.00 N ATOM 703 CA SER A 46 6.801 -2.446 6.129 1.00 0.00 C ATOM 704 C SER A 46 6.230 -1.596 4.977 1.00 0.00 C ATOM 705 O SER A 46 6.026 -2.071 3.853 1.00 0.00 O ATOM 706 CB SER A 46 8.172 -1.959 6.645 1.00 0.00 C ATOM 707 OG SER A 46 9.270 -2.527 5.950 1.00 0.00 O ATOM 0 H SER A 46 7.261 -3.902 4.740 1.00 0.00 H new ATOM 0 HA SER A 46 6.105 -2.347 6.962 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.219 -0.873 6.559 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.259 -2.199 7.705 1.00 0.00 H new ATOM 0 HG SER A 46 10.057 -1.953 6.058 1.00 0.00 H new ATOM 713 N PHE A 47 5.943 -0.317 5.250 1.00 0.00 N ATOM 714 CA PHE A 47 5.431 0.624 4.265 1.00 0.00 C ATOM 715 C PHE A 47 6.269 1.890 4.303 1.00 0.00 C ATOM 716 O PHE A 47 6.846 2.246 5.339 1.00 0.00 O ATOM 717 CB PHE A 47 3.954 0.959 4.518 1.00 0.00 C ATOM 718 CG PHE A 47 3.234 1.438 3.267 1.00 0.00 C ATOM 719 CD1 PHE A 47 3.276 2.794 2.884 1.00 0.00 C ATOM 720 CD2 PHE A 47 2.517 0.522 2.475 1.00 0.00 C ATOM 721 CE1 PHE A 47 2.656 3.218 1.697 1.00 0.00 C ATOM 722 CE2 PHE A 47 1.861 0.954 1.311 1.00 0.00 C ATOM 723 CZ PHE A 47 1.954 2.295 0.904 1.00 0.00 C ATOM 0 H PHE A 47 6.064 0.092 6.177 1.00 0.00 H new ATOM 0 HA PHE A 47 5.497 0.163 3.279 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.448 0.076 4.907 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.888 1.729 5.287 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.788 3.512 3.507 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.471 -0.518 2.764 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.719 4.253 1.394 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.283 0.253 0.727 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.487 2.616 -0.016 1.00 0.00 H new ATOM 733 N VAL A 48 6.286 2.576 3.161 1.00 0.00 N ATOM 734 CA VAL A 48 7.070 3.754 2.906 1.00 0.00 C ATOM 735 C VAL A 48 6.197 4.763 2.132 1.00 0.00 C ATOM 736 O VAL A 48 5.906 4.585 0.954 1.00 0.00 O ATOM 737 CB VAL A 48 8.411 3.283 2.293 1.00 0.00 C ATOM 738 CG1 VAL A 48 9.070 4.235 1.313 1.00 0.00 C ATOM 739 CG2 VAL A 48 9.426 3.039 3.419 1.00 0.00 C ATOM 0 H VAL A 48 5.721 2.301 2.358 1.00 0.00 H new ATOM 0 HA VAL A 48 7.369 4.326 3.784 1.00 0.00 H new ATOM 0 HB VAL A 48 8.145 2.387 1.733 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.001 3.798 0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.400 4.412 0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.283 5.180 1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.372 2.707 2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.584 3.964 3.974 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.044 2.272 4.093 1.00 0.00 H new ATOM 749 N CYS A 49 5.682 5.789 2.830 1.00 0.00 N ATOM 750 CA CYS A 49 4.742 6.775 2.282 1.00 0.00 C ATOM 751 C CYS A 49 5.330 7.480 1.045 1.00 0.00 C ATOM 752 O CYS A 49 6.531 7.762 1.022 1.00 0.00 O ATOM 753 CB CYS A 49 4.378 7.789 3.380 1.00 0.00 C ATOM 754 SG CYS A 49 5.751 8.491 4.350 1.00 0.00 S ATOM 0 H CYS A 49 5.913 5.957 3.809 1.00 0.00 H new ATOM 0 HA CYS A 49 3.838 6.262 1.955 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.837 8.613 2.914 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.688 7.306 4.071 1.00 0.00 H new ATOM 759 N PRO A 50 4.509 7.847 0.035 1.00 0.00 N ATOM 760 CA PRO A 50 5.028 8.378 -1.228 1.00 0.00 C ATOM 761 C PRO A 50 5.816 9.688 -1.065 1.00 0.00 C ATOM 762 O PRO A 50 6.728 9.955 -1.851 1.00 0.00 O ATOM 763 CB PRO A 50 3.814 8.536 -2.152 1.00 0.00 C ATOM 764 CG PRO A 50 2.626 8.603 -1.195 1.00 0.00 C ATOM 765 CD PRO A 50 3.058 7.690 -0.050 1.00 0.00 C ATOM 0 HA PRO A 50 5.761 7.692 -1.651 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.889 9.439 -2.758 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.725 7.696 -2.841 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.441 9.621 -0.852 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.708 8.253 -1.666 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.575 7.975 0.885 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.784 6.654 -0.247 1.00 0.00 H new ATOM 773 N TRP A 51 5.520 10.472 -0.020 1.00 0.00 N ATOM 774 CA TRP A 51 6.295 11.640 0.375 1.00 0.00 C ATOM 775 C TRP A 51 7.746 11.242 0.667 1.00 0.00 C ATOM 776 O TRP A 51 8.667 11.702 -0.015 1.00 0.00 O ATOM 777 CB TRP A 51 5.636 12.312 1.593 1.00 0.00 C ATOM 778 CG TRP A 51 6.502 13.306 2.309 1.00 0.00 C ATOM 779 CD1 TRP A 51 6.926 14.486 1.804 1.00 0.00 C ATOM 780 CD2 TRP A 51 7.109 13.198 3.635 1.00 0.00 C ATOM 781 NE1 TRP A 51 7.773 15.099 2.706 1.00 0.00 N ATOM 782 CE2 TRP A 51 7.923 14.349 3.853 1.00 0.00 C ATOM 783 CE3 TRP A 51 7.061 12.243 4.675 1.00 0.00 C ATOM 784 CZ2 TRP A 51 8.659 14.537 5.033 1.00 0.00 C ATOM 785 CZ3 TRP A 51 7.787 12.426 5.867 1.00 0.00 C ATOM 786 CH2 TRP A 51 8.589 13.566 6.046 1.00 0.00 C ATOM 0 H TRP A 51 4.715 10.302 0.583 1.00 0.00 H new ATOM 0 HA TRP A 51 6.311 12.360 -0.443 1.00 0.00 H new ATOM 0 HB2 TRP A 51 4.726 12.814 1.265 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.336 11.538 2.299 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.645 14.888 0.842 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.231 15.996 2.544 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.456 11.356 4.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 9.272 15.417 5.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.727 11.685 6.650 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.150 13.695 6.960 1.00 0.00 H new ATOM 797 N CYS A 52 7.961 10.386 1.672 1.00 0.00 N ATOM 798 CA CYS A 52 9.301 9.990 2.082 1.00 0.00 C ATOM 799 C CYS A 52 9.981 9.134 1.030 1.00 0.00 C ATOM 800 O CYS A 52 11.211 9.052 1.033 1.00 0.00 O ATOM 801 CB CYS A 52 9.239 9.205 3.383 1.00 0.00 C ATOM 802 SG CYS A 52 8.845 7.452 3.251 1.00 0.00 S ATOM 0 H CYS A 52 7.214 9.955 2.216 1.00 0.00 H new ATOM 0 HA CYS A 52 9.880 10.903 2.217 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.202 9.301 3.885 1.00 0.00 H new ATOM 0 HB3 CYS A 52 8.496 9.673 4.028 1.00 0.00 H new ATOM 807 N ALA A 53 9.192 8.476 0.175 1.00 0.00 N ATOM 808 CA ALA A 53 9.729 7.690 -0.903 1.00 0.00 C ATOM 809 C ALA A 53 10.357 8.615 -1.949 1.00 0.00 C ATOM 810 O ALA A 53 11.478 8.376 -2.401 1.00 0.00 O ATOM 811 CB ALA A 53 8.624 6.850 -1.545 1.00 0.00 C ATOM 0 H ALA A 53 8.173 8.482 0.223 1.00 0.00 H new ATOM 0 HA ALA A 53 10.493 7.020 -0.509 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.043 6.259 -2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.193 6.184 -0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.847 7.508 -1.936 1.00 0.00 H new ATOM 817 N THR A 54 9.622 9.671 -2.319 1.00 0.00 N ATOM 818 CA THR A 54 10.059 10.687 -3.268 1.00 0.00 C ATOM 819 C THR A 54 11.287 11.423 -2.721 1.00 0.00 C ATOM 820 O THR A 54 12.240 11.657 -3.460 1.00 0.00 O ATOM 821 CB THR A 54 8.897 11.660 -3.557 1.00 0.00 C ATOM 822 OG1 THR A 54 7.743 10.951 -3.965 1.00 0.00 O ATOM 823 CG2 THR A 54 9.240 12.659 -4.668 1.00 0.00 C ATOM 0 H THR A 54 8.685 9.841 -1.954 1.00 0.00 H new ATOM 0 HA THR A 54 10.347 10.214 -4.207 1.00 0.00 H new ATOM 0 HB THR A 54 8.716 12.200 -2.628 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.122 10.876 -3.211 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.392 13.322 -4.835 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.108 13.248 -4.372 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.464 12.118 -5.587 1.00 0.00 H new ATOM 831 N ASN A 55 11.266 11.786 -1.431 1.00 0.00 N ATOM 832 CA ASN A 55 12.356 12.532 -0.803 1.00 0.00 C ATOM 833 C ASN A 55 13.602 11.673 -0.621 1.00 0.00 C ATOM 834 O ASN A 55 14.699 12.155 -0.890 1.00 0.00 O ATOM 835 CB ASN A 55 11.927 13.098 0.561 1.00 0.00 C ATOM 836 CG ASN A 55 11.085 14.351 0.390 1.00 0.00 C ATOM 837 OD1 ASN A 55 11.573 15.466 0.506 1.00 0.00 O ATOM 838 ND2 ASN A 55 9.810 14.196 0.078 1.00 0.00 N ATOM 0 H ASN A 55 10.495 11.570 -0.799 1.00 0.00 H new ATOM 0 HA ASN A 55 12.597 13.355 -1.476 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.359 12.346 1.109 1.00 0.00 H new ATOM 0 HB3 ASN A 55 12.810 13.327 1.158 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.218 15.013 -0.070 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.418 13.259 -0.015 1.00 0.00 H new ATOM 845 N GLN A 56 13.418 10.434 -0.149 1.00 0.00 N ATOM 846 CA GLN A 56 14.429 9.593 0.498 1.00 0.00 C ATOM 847 C GLN A 56 14.990 10.320 1.721 1.00 0.00 C ATOM 848 O GLN A 56 14.425 10.055 2.804 1.00 0.00 O ATOM 849 CB GLN A 56 15.504 9.108 -0.487 1.00 0.00 C ATOM 850 CG GLN A 56 16.489 8.103 0.144 1.00 0.00 C ATOM 851 CD GLN A 56 17.763 7.922 -0.692 1.00 0.00 C ATOM 852 OE1 GLN A 56 18.441 8.887 -1.033 1.00 0.00 O ATOM 853 NE2 GLN A 56 18.146 6.705 -1.033 1.00 0.00 N ATOM 0 H GLN A 56 12.513 9.968 -0.212 1.00 0.00 H new ATOM 0 HA GLN A 56 13.958 8.676 0.852 1.00 0.00 H new ATOM 0 HB2 GLN A 56 15.019 8.643 -1.346 1.00 0.00 H new ATOM 0 HB3 GLN A 56 16.060 9.967 -0.862 1.00 0.00 H new ATOM 0 HG2 GLN A 56 16.760 8.444 1.143 1.00 0.00 H new ATOM 0 HG3 GLN A 56 15.994 7.139 0.259 1.00 0.00 H new ATOM 0 HE21 GLN A 56 17.588 5.898 -0.754 1.00 0.00 H new ATOM 0 HE22 GLN A 56 18.999 6.572 -1.576 1.00 0.00 H new TER 862 GLN A 56 ATOM 863 N GLY B 1 17.200 12.784 -0.052 1.00 0.00 N ATOM 864 CA GLY B 1 18.083 11.948 -0.871 1.00 0.00 C ATOM 865 C GLY B 1 17.589 11.911 -2.310 1.00 0.00 C ATOM 866 O GLY B 1 17.314 12.970 -2.869 1.00 0.00 O ATOM 0 H1 GLY B 1 17.539 12.787 0.931 1.00 0.00 H new ATOM 0 H2 GLY B 1 17.201 13.756 -0.422 1.00 0.00 H new ATOM 0 H3 GLY B 1 16.233 12.403 -0.084 1.00 0.00 H new ATOM 0 HA2 GLY B 1 19.100 12.340 -0.838 1.00 0.00 H new ATOM 0 HA3 GLY B 1 18.118 10.937 -0.465 1.00 0.00 H new ATOM 870 N SER B 2 17.525 10.721 -2.919 1.00 0.00 N ATOM 871 CA SER B 2 17.087 10.499 -4.293 1.00 0.00 C ATOM 872 C SER B 2 16.595 9.047 -4.464 1.00 0.00 C ATOM 873 O SER B 2 16.328 8.332 -3.493 1.00 0.00 O ATOM 874 CB SER B 2 18.262 10.841 -5.231 1.00 0.00 C ATOM 875 OG SER B 2 17.848 10.915 -6.585 1.00 0.00 O ATOM 0 H SER B 2 17.788 9.856 -2.446 1.00 0.00 H new ATOM 0 HA SER B 2 16.244 11.142 -4.545 1.00 0.00 H new ATOM 0 HB2 SER B 2 18.701 11.793 -4.932 1.00 0.00 H new ATOM 0 HB3 SER B 2 19.041 10.085 -5.129 1.00 0.00 H new ATOM 0 HG SER B 2 18.617 11.135 -7.151 1.00 0.00 H new ATOM 881 N HIS B 3 16.471 8.609 -5.720 1.00 0.00 N ATOM 882 CA HIS B 3 16.429 7.198 -6.078 1.00 0.00 C ATOM 883 C HIS B 3 17.702 6.505 -5.583 1.00 0.00 C ATOM 884 O HIS B 3 18.799 7.054 -5.688 1.00 0.00 O ATOM 885 CB HIS B 3 16.319 7.046 -7.609 1.00 0.00 C ATOM 886 CG HIS B 3 14.954 6.662 -8.122 1.00 0.00 C ATOM 887 ND1 HIS B 3 14.721 5.915 -9.255 1.00 0.00 N ATOM 888 CD2 HIS B 3 13.739 6.973 -7.571 1.00 0.00 C ATOM 889 CE1 HIS B 3 13.392 5.775 -9.382 1.00 0.00 C ATOM 890 NE2 HIS B 3 12.752 6.386 -8.370 1.00 0.00 N ATOM 0 H HIS B 3 16.397 9.235 -6.522 1.00 0.00 H new ATOM 0 HA HIS B 3 15.559 6.737 -5.611 1.00 0.00 H new ATOM 0 HB2 HIS B 3 16.612 7.988 -8.073 1.00 0.00 H new ATOM 0 HB3 HIS B 3 17.037 6.293 -7.935 1.00 0.00 H new ATOM 0 HD1 HIS B 3 15.430 5.537 -9.884 1.00 0.00 H new ATOM 0 HD2 HIS B 3 13.573 7.564 -6.682 1.00 0.00 H new ATOM 0 HE1 HIS B 3 12.904 5.245 -10.186 1.00 0.00 H new ATOM 898 N MET B 4 17.551 5.265 -5.116 1.00 0.00 N ATOM 899 CA MET B 4 18.624 4.320 -4.861 1.00 0.00 C ATOM 900 C MET B 4 17.999 2.928 -4.992 1.00 0.00 C ATOM 901 O MET B 4 16.806 2.760 -4.730 1.00 0.00 O ATOM 902 CB MET B 4 19.199 4.587 -3.460 1.00 0.00 C ATOM 903 CG MET B 4 20.325 3.630 -3.052 1.00 0.00 C ATOM 904 SD MET B 4 21.028 3.950 -1.410 1.00 0.00 S ATOM 905 CE MET B 4 21.923 5.500 -1.701 1.00 0.00 C ATOM 0 H MET B 4 16.632 4.880 -4.897 1.00 0.00 H new ATOM 0 HA MET B 4 19.455 4.411 -5.560 1.00 0.00 H new ATOM 0 HB2 MET B 4 19.574 5.610 -3.422 1.00 0.00 H new ATOM 0 HB3 MET B 4 18.394 4.516 -2.729 1.00 0.00 H new ATOM 0 HG2 MET B 4 19.944 2.609 -3.077 1.00 0.00 H new ATOM 0 HG3 MET B 4 21.122 3.691 -3.793 1.00 0.00 H new ATOM 0 HE1 MET B 4 22.507 5.754 -0.817 1.00 0.00 H new ATOM 0 HE2 MET B 4 22.590 5.380 -2.554 1.00 0.00 H new ATOM 0 HE3 MET B 4 21.210 6.298 -1.907 1.00 0.00 H new ATOM 915 N ALA B 5 18.794 1.939 -5.410 1.00 0.00 N ATOM 916 CA ALA B 5 18.397 0.547 -5.490 1.00 0.00 C ATOM 917 C ALA B 5 18.437 -0.077 -4.091 1.00 0.00 C ATOM 918 O ALA B 5 19.360 -0.826 -3.766 1.00 0.00 O ATOM 919 CB ALA B 5 19.320 -0.179 -6.474 1.00 0.00 C ATOM 0 H ALA B 5 19.756 2.098 -5.708 1.00 0.00 H new ATOM 0 HA ALA B 5 17.375 0.457 -5.859 1.00 0.00 H new ATOM 0 HB1 ALA B 5 19.029 -1.227 -6.540 1.00 0.00 H new ATOM 0 HB2 ALA B 5 19.239 0.283 -7.458 1.00 0.00 H new ATOM 0 HB3 ALA B 5 20.350 -0.110 -6.125 1.00 0.00 H new ATOM 925 N GLU B 6 17.479 0.279 -3.235 1.00 0.00 N ATOM 926 CA GLU B 6 17.454 -0.185 -1.860 1.00 0.00 C ATOM 927 C GLU B 6 16.746 -1.547 -1.811 1.00 0.00 C ATOM 928 O GLU B 6 15.834 -1.787 -2.605 1.00 0.00 O ATOM 929 CB GLU B 6 16.696 0.830 -0.996 1.00 0.00 C ATOM 930 CG GLU B 6 17.286 2.253 -1.068 1.00 0.00 C ATOM 931 CD GLU B 6 16.366 3.337 -0.493 1.00 0.00 C ATOM 932 OE1 GLU B 6 15.298 3.025 0.072 1.00 0.00 O ATOM 933 OE2 GLU B 6 16.639 4.535 -0.743 1.00 0.00 O ATOM 0 H GLU B 6 16.704 0.895 -3.480 1.00 0.00 H new ATOM 0 HA GLU B 6 18.470 -0.288 -1.479 1.00 0.00 H new ATOM 0 HB2 GLU B 6 15.654 0.860 -1.313 1.00 0.00 H new ATOM 0 HB3 GLU B 6 16.704 0.493 0.040 1.00 0.00 H new ATOM 0 HG2 GLU B 6 18.233 2.271 -0.529 1.00 0.00 H new ATOM 0 HG3 GLU B 6 17.507 2.492 -2.108 1.00 0.00 H new ATOM 940 N PRO B 7 17.099 -2.421 -0.855 1.00 0.00 N ATOM 941 CA PRO B 7 16.259 -3.548 -0.487 1.00 0.00 C ATOM 942 C PRO B 7 15.050 -3.020 0.287 1.00 0.00 C ATOM 943 O PRO B 7 15.085 -1.930 0.867 1.00 0.00 O ATOM 944 CB PRO B 7 17.158 -4.418 0.395 1.00 0.00 C ATOM 945 CG PRO B 7 18.037 -3.395 1.118 1.00 0.00 C ATOM 946 CD PRO B 7 18.174 -2.249 0.111 1.00 0.00 C ATOM 0 HA PRO B 7 15.875 -4.114 -1.336 1.00 0.00 H new ATOM 0 HB2 PRO B 7 16.576 -5.016 1.097 1.00 0.00 H new ATOM 0 HB3 PRO B 7 17.753 -5.112 -0.198 1.00 0.00 H new ATOM 0 HG2 PRO B 7 17.576 -3.058 2.047 1.00 0.00 H new ATOM 0 HG3 PRO B 7 19.008 -3.816 1.379 1.00 0.00 H new ATOM 0 HD2 PRO B 7 18.097 -1.283 0.609 1.00 0.00 H new ATOM 0 HD3 PRO B 7 19.146 -2.278 -0.381 1.00 0.00 H new ATOM 954 N GLN B 8 13.995 -3.834 0.347 1.00 0.00 N ATOM 955 CA GLN B 8 12.769 -3.597 1.071 1.00 0.00 C ATOM 956 C GLN B 8 11.964 -2.552 0.294 1.00 0.00 C ATOM 957 O GLN B 8 10.931 -2.905 -0.263 1.00 0.00 O ATOM 958 CB GLN B 8 13.086 -3.298 2.556 1.00 0.00 C ATOM 959 CG GLN B 8 12.097 -3.915 3.552 1.00 0.00 C ATOM 960 CD GLN B 8 12.107 -5.442 3.461 1.00 0.00 C ATOM 961 OE1 GLN B 8 13.141 -6.083 3.606 1.00 0.00 O ATOM 962 NE2 GLN B 8 10.974 -6.049 3.147 1.00 0.00 N ATOM 0 H GLN B 8 13.985 -4.729 -0.143 1.00 0.00 H new ATOM 0 HA GLN B 8 12.120 -4.471 1.132 1.00 0.00 H new ATOM 0 HB2 GLN B 8 14.087 -3.665 2.782 1.00 0.00 H new ATOM 0 HB3 GLN B 8 13.102 -2.218 2.701 1.00 0.00 H new ATOM 0 HG2 GLN B 8 12.355 -3.606 4.565 1.00 0.00 H new ATOM 0 HG3 GLN B 8 11.093 -3.542 3.351 1.00 0.00 H new ATOM 0 HE21 GLN B 8 10.120 -5.505 3.029 1.00 0.00 H new ATOM 0 HE22 GLN B 8 10.955 -7.061 3.023 1.00 0.00 H new ATOM 971 N ARG B 9 12.439 -1.304 0.210 1.00 0.00 N ATOM 972 CA ARG B 9 11.820 -0.153 -0.438 1.00 0.00 C ATOM 973 C ARG B 9 11.542 -0.388 -1.929 1.00 0.00 C ATOM 974 O ARG B 9 12.318 0.040 -2.784 1.00 0.00 O ATOM 975 CB ARG B 9 12.730 1.077 -0.202 1.00 0.00 C ATOM 976 CG ARG B 9 11.946 2.384 -0.233 1.00 0.00 C ATOM 977 CD ARG B 9 12.122 3.197 -1.518 1.00 0.00 C ATOM 978 NE ARG B 9 13.326 4.040 -1.475 1.00 0.00 N ATOM 979 CZ ARG B 9 13.478 5.268 -1.991 1.00 0.00 C ATOM 980 NH1 ARG B 9 12.456 5.864 -2.602 1.00 0.00 N ATOM 981 NH2 ARG B 9 14.645 5.899 -1.887 1.00 0.00 N ATOM 0 H ARG B 9 13.337 -1.059 0.628 1.00 0.00 H new ATOM 0 HA ARG B 9 10.839 0.021 0.004 1.00 0.00 H new ATOM 0 HB2 ARG B 9 13.231 0.978 0.761 1.00 0.00 H new ATOM 0 HB3 ARG B 9 13.508 1.103 -0.965 1.00 0.00 H new ATOM 0 HG2 ARG B 9 10.887 2.162 -0.100 1.00 0.00 H new ATOM 0 HG3 ARG B 9 12.252 2.997 0.615 1.00 0.00 H new ATOM 0 HD2 ARG B 9 12.184 2.520 -2.370 1.00 0.00 H new ATOM 0 HD3 ARG B 9 11.245 3.825 -1.673 1.00 0.00 H new ATOM 0 HE ARG B 9 14.137 3.646 -0.999 1.00 0.00 H new ATOM 0 HH11 ARG B 9 11.558 5.386 -2.677 1.00 0.00 H new ATOM 0 HH12 ARG B 9 12.571 6.798 -2.995 1.00 0.00 H new ATOM 0 HH21 ARG B 9 15.428 5.448 -1.413 1.00 0.00 H new ATOM 0 HH22 ARG B 9 14.757 6.833 -2.281 1.00 0.00 H new ATOM 995 N HIS B 10 10.427 -1.037 -2.267 1.00 0.00 N ATOM 996 CA HIS B 10 10.114 -1.419 -3.640 1.00 0.00 C ATOM 997 C HIS B 10 8.834 -0.713 -4.088 1.00 0.00 C ATOM 998 O HIS B 10 8.136 -0.111 -3.276 1.00 0.00 O ATOM 999 CB HIS B 10 10.032 -2.943 -3.745 1.00 0.00 C ATOM 1000 CG HIS B 10 11.266 -3.710 -3.313 1.00 0.00 C ATOM 1001 ND1 HIS B 10 11.251 -4.960 -2.756 1.00 0.00 N ATOM 1002 CD2 HIS B 10 12.560 -3.266 -3.248 1.00 0.00 C ATOM 1003 CE1 HIS B 10 12.485 -5.252 -2.331 1.00 0.00 C ATOM 1004 NE2 HIS B 10 13.331 -4.259 -2.629 1.00 0.00 N ATOM 0 H HIS B 10 9.714 -1.313 -1.591 1.00 0.00 H new ATOM 0 HA HIS B 10 10.906 -1.100 -4.318 1.00 0.00 H new ATOM 0 HB2 HIS B 10 9.189 -3.283 -3.144 1.00 0.00 H new ATOM 0 HB3 HIS B 10 9.811 -3.204 -4.780 1.00 0.00 H new ATOM 0 HD1 HIS B 10 10.435 -5.567 -2.678 1.00 0.00 H new ATOM 0 HD2 HIS B 10 12.923 -2.316 -3.611 1.00 0.00 H new ATOM 0 HE1 HIS B 10 12.760 -6.162 -1.819 1.00 0.00 H new ATOM 1012 N LYS B 11 8.544 -0.728 -5.393 1.00 0.00 N ATOM 1013 CA LYS B 11 7.651 0.235 -6.033 1.00 0.00 C ATOM 1014 C LYS B 11 6.738 -0.501 -7.007 1.00 0.00 C ATOM 1015 O LYS B 11 7.120 -0.729 -8.154 1.00 0.00 O ATOM 1016 CB LYS B 11 8.496 1.314 -6.734 1.00 0.00 C ATOM 1017 CG LYS B 11 9.157 2.317 -5.764 1.00 0.00 C ATOM 1018 CD LYS B 11 10.490 2.883 -6.276 1.00 0.00 C ATOM 1019 CE LYS B 11 10.407 3.486 -7.685 1.00 0.00 C ATOM 1020 NZ LYS B 11 10.402 4.964 -7.697 1.00 0.00 N ATOM 0 H LYS B 11 8.928 -1.418 -6.039 1.00 0.00 H new ATOM 0 HA LYS B 11 7.020 0.731 -5.295 1.00 0.00 H new ATOM 0 HB2 LYS B 11 9.273 0.827 -7.323 1.00 0.00 H new ATOM 0 HB3 LYS B 11 7.863 1.862 -7.432 1.00 0.00 H new ATOM 0 HG2 LYS B 11 8.468 3.142 -5.583 1.00 0.00 H new ATOM 0 HG3 LYS B 11 9.325 1.825 -4.806 1.00 0.00 H new ATOM 0 HD2 LYS B 11 10.839 3.649 -5.583 1.00 0.00 H new ATOM 0 HD3 LYS B 11 11.236 2.088 -6.274 1.00 0.00 H new ATOM 0 HE2 LYS B 11 11.252 3.129 -8.274 1.00 0.00 H new ATOM 0 HE3 LYS B 11 9.502 3.124 -8.173 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 9.906 5.303 -8.546 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 9.915 5.316 -6.848 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 11.381 5.314 -7.705 1.00 0.00 H new ATOM 1034 N ILE B 12 5.544 -0.890 -6.554 1.00 0.00 N ATOM 1035 CA ILE B 12 4.532 -1.478 -7.424 1.00 0.00 C ATOM 1036 C ILE B 12 3.778 -0.304 -8.042 1.00 0.00 C ATOM 1037 O ILE B 12 2.953 0.319 -7.384 1.00 0.00 O ATOM 1038 CB ILE B 12 3.574 -2.438 -6.676 1.00 0.00 C ATOM 1039 CG1 ILE B 12 4.320 -3.452 -5.784 1.00 0.00 C ATOM 1040 CG2 ILE B 12 2.685 -3.153 -7.714 1.00 0.00 C ATOM 1041 CD1 ILE B 12 3.375 -4.227 -4.862 1.00 0.00 C ATOM 0 H ILE B 12 5.256 -0.806 -5.579 1.00 0.00 H new ATOM 0 HA ILE B 12 5.004 -2.101 -8.184 1.00 0.00 H new ATOM 0 HB ILE B 12 2.957 -1.850 -5.997 1.00 0.00 H new ATOM 0 HG12 ILE B 12 4.864 -4.155 -6.415 1.00 0.00 H new ATOM 0 HG13 ILE B 12 5.060 -2.926 -5.181 1.00 0.00 H new ATOM 0 HG21 ILE B 12 2.004 -3.833 -7.203 1.00 0.00 H new ATOM 0 HG22 ILE B 12 2.109 -2.414 -8.271 1.00 0.00 H new ATOM 0 HG23 ILE B 12 3.313 -3.718 -8.403 1.00 0.00 H new ATOM 0 HD11 ILE B 12 3.951 -4.927 -4.256 1.00 0.00 H new ATOM 0 HD12 ILE B 12 2.850 -3.529 -4.210 1.00 0.00 H new ATOM 0 HD13 ILE B 12 2.651 -4.778 -5.463 1.00 0.00 H new ATOM 1053 N LEU B 13 4.068 0.051 -9.290 1.00 0.00 N ATOM 1054 CA LEU B 13 3.260 1.012 -10.012 1.00 0.00 C ATOM 1055 C LEU B 13 1.880 0.403 -10.234 1.00 0.00 C ATOM 1056 O LEU B 13 1.735 -0.586 -10.950 1.00 0.00 O ATOM 1057 CB LEU B 13 3.937 1.454 -11.311 1.00 0.00 C ATOM 1058 CG LEU B 13 3.215 2.680 -11.914 1.00 0.00 C ATOM 1059 CD1 LEU B 13 4.249 3.572 -12.602 1.00 0.00 C ATOM 1060 CD2 LEU B 13 2.115 2.312 -12.919 1.00 0.00 C ATOM 0 H LEU B 13 4.859 -0.317 -9.818 1.00 0.00 H new ATOM 0 HA LEU B 13 3.148 1.925 -9.427 1.00 0.00 H new ATOM 0 HB2 LEU B 13 4.981 1.700 -11.117 1.00 0.00 H new ATOM 0 HB3 LEU B 13 3.930 0.633 -12.028 1.00 0.00 H new ATOM 0 HG LEU B 13 2.723 3.198 -11.091 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.751 4.441 -13.032 1.00 0.00 H new ATOM 0 HD12 LEU B 13 4.989 3.901 -11.872 1.00 0.00 H new ATOM 0 HD13 LEU B 13 4.745 3.010 -13.393 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.652 3.222 -13.301 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.551 1.752 -13.746 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.360 1.701 -12.425 1.00 0.00 H new ATOM 1072 N CYS B 14 0.885 1.013 -9.603 1.00 0.00 N ATOM 1073 CA CYS B 14 -0.528 0.734 -9.754 1.00 0.00 C ATOM 1074 C CYS B 14 -1.208 2.017 -10.255 1.00 0.00 C ATOM 1075 O CYS B 14 -0.558 3.043 -10.488 1.00 0.00 O ATOM 1076 CB CYS B 14 -1.050 0.265 -8.383 1.00 0.00 C ATOM 1077 SG CYS B 14 -2.712 -0.471 -8.436 1.00 0.00 S ATOM 0 H CYS B 14 1.059 1.761 -8.932 1.00 0.00 H new ATOM 0 HA CYS B 14 -0.739 -0.052 -10.480 1.00 0.00 H new ATOM 0 HB2 CYS B 14 -0.354 -0.465 -7.971 1.00 0.00 H new ATOM 0 HB3 CYS B 14 -1.062 1.115 -7.700 1.00 0.00 H new ATOM 0 HG CYS B 14 -3.605 0.474 -8.458 1.00 0.00 H new ATOM 1083 N VAL B 15 -2.532 1.981 -10.379 1.00 0.00 N ATOM 1084 CA VAL B 15 -3.350 3.182 -10.404 1.00 0.00 C ATOM 1085 C VAL B 15 -4.186 3.229 -9.127 1.00 0.00 C ATOM 1086 O VAL B 15 -4.408 2.202 -8.479 1.00 0.00 O ATOM 1087 CB VAL B 15 -4.212 3.268 -11.679 1.00 0.00 C ATOM 1088 CG1 VAL B 15 -3.325 3.505 -12.908 1.00 0.00 C ATOM 1089 CG2 VAL B 15 -5.094 2.027 -11.885 1.00 0.00 C ATOM 0 H VAL B 15 -3.065 1.116 -10.465 1.00 0.00 H new ATOM 0 HA VAL B 15 -2.705 4.060 -10.435 1.00 0.00 H new ATOM 0 HB VAL B 15 -4.885 4.115 -11.550 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -3.948 3.563 -13.801 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -2.777 4.439 -12.786 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -2.619 2.681 -13.012 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -5.679 2.143 -12.798 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -4.463 1.142 -11.969 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -5.767 1.914 -11.035 1.00 0.00 H new ATOM 1099 N CYS B 16 -4.655 4.425 -8.772 1.00 0.00 N ATOM 1100 CA CYS B 16 -5.664 4.604 -7.751 1.00 0.00 C ATOM 1101 C CYS B 16 -6.981 4.062 -8.286 1.00 0.00 C ATOM 1102 O CYS B 16 -7.424 4.500 -9.349 1.00 0.00 O ATOM 1103 CB CYS B 16 -5.833 6.083 -7.402 1.00 0.00 C ATOM 1104 SG CYS B 16 -6.821 6.107 -5.887 1.00 0.00 S ATOM 0 H CYS B 16 -4.337 5.298 -9.193 1.00 0.00 H new ATOM 0 HA CYS B 16 -5.361 4.074 -6.848 1.00 0.00 H new ATOM 0 HB2 CYS B 16 -4.867 6.564 -7.249 1.00 0.00 H new ATOM 0 HB3 CYS B 16 -6.333 6.622 -8.206 1.00 0.00 H new ATOM 0 HG CYS B 16 -6.657 7.245 -5.280 1.00 0.00 H new ATOM 1109 N CYS B 17 -7.625 3.175 -7.527 1.00 0.00 N ATOM 1110 CA CYS B 17 -8.837 2.478 -7.949 1.00 0.00 C ATOM 1111 C CYS B 17 -9.941 3.436 -8.420 1.00 0.00 C ATOM 1112 O CYS B 17 -10.675 3.117 -9.352 1.00 0.00 O ATOM 1113 CB CYS B 17 -9.339 1.616 -6.788 1.00 0.00 C ATOM 1114 SG CYS B 17 -10.462 0.339 -7.410 1.00 0.00 S ATOM 0 H CYS B 17 -7.314 2.918 -6.590 1.00 0.00 H new ATOM 0 HA CYS B 17 -8.586 1.855 -8.807 1.00 0.00 H new ATOM 0 HB2 CYS B 17 -8.495 1.153 -6.276 1.00 0.00 H new ATOM 0 HB3 CYS B 17 -9.853 2.239 -6.056 1.00 0.00 H new ATOM 0 HG CYS B 17 -10.823 -0.436 -6.431 1.00 0.00 H new ATOM 1120 N LYS B 18 -10.046 4.618 -7.796 1.00 0.00 N ATOM 1121 CA LYS B 18 -11.117 5.572 -8.058 1.00 0.00 C ATOM 1122 C LYS B 18 -10.669 6.790 -8.868 1.00 0.00 C ATOM 1123 O LYS B 18 -11.516 7.444 -9.470 1.00 0.00 O ATOM 1124 CB LYS B 18 -11.747 5.997 -6.727 1.00 0.00 C ATOM 1125 CG LYS B 18 -10.764 6.713 -5.785 1.00 0.00 C ATOM 1126 CD LYS B 18 -11.501 7.476 -4.681 1.00 0.00 C ATOM 1127 CE LYS B 18 -11.291 6.835 -3.311 1.00 0.00 C ATOM 1128 NZ LYS B 18 -11.815 7.722 -2.260 1.00 0.00 N ATOM 0 H LYS B 18 -9.381 4.935 -7.091 1.00 0.00 H new ATOM 0 HA LYS B 18 -11.857 5.069 -8.681 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.591 6.656 -6.928 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -12.144 5.115 -6.224 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -10.090 5.983 -5.337 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -10.148 7.405 -6.358 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -11.151 8.508 -4.657 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -12.567 7.506 -4.909 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -11.796 5.870 -3.270 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -10.230 6.647 -3.146 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -11.842 7.210 -1.355 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -11.198 8.554 -2.169 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -12.776 8.029 -2.512 1.00 0.00 H new ATOM 1142 N CYS B 19 -9.370 7.117 -8.875 1.00 0.00 N ATOM 1143 CA CYS B 19 -8.849 8.250 -9.622 1.00 0.00 C ATOM 1144 C CYS B 19 -8.351 7.821 -11.003 1.00 0.00 C ATOM 1145 O CYS B 19 -8.134 8.685 -11.847 1.00 0.00 O ATOM 1146 CB CYS B 19 -7.728 8.949 -8.866 1.00 0.00 C ATOM 1147 SG CYS B 19 -7.809 9.080 -7.055 1.00 0.00 S ATOM 0 H CYS B 19 -8.658 6.599 -8.361 1.00 0.00 H new ATOM 0 HA CYS B 19 -9.672 8.953 -9.748 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -6.799 8.436 -9.114 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -7.649 9.961 -9.263 1.00 0.00 H new ATOM 1152 N ASP B 20 -8.116 6.513 -11.200 1.00 0.00 N ATOM 1153 CA ASP B 20 -7.393 5.927 -12.330 1.00 0.00 C ATOM 1154 C ASP B 20 -6.079 6.679 -12.608 1.00 0.00 C ATOM 1155 O ASP B 20 -5.662 6.878 -13.747 1.00 0.00 O ATOM 1156 CB ASP B 20 -8.335 5.790 -13.531 1.00 0.00 C ATOM 1157 CG ASP B 20 -7.725 4.956 -14.665 1.00 0.00 C ATOM 1158 OD1 ASP B 20 -7.004 3.982 -14.343 1.00 0.00 O ATOM 1159 OD2 ASP B 20 -8.039 5.262 -15.838 1.00 0.00 O ATOM 0 H ASP B 20 -8.443 5.806 -10.542 1.00 0.00 H new ATOM 0 HA ASP B 20 -7.070 4.915 -12.086 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -9.268 5.328 -13.206 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -8.585 6.782 -13.908 1.00 0.00 H new ATOM 1164 N GLY B 21 -5.429 7.134 -11.528 1.00 0.00 N ATOM 1165 CA GLY B 21 -4.211 7.929 -11.588 1.00 0.00 C ATOM 1166 C GLY B 21 -3.041 7.105 -11.090 1.00 0.00 C ATOM 1167 O GLY B 21 -3.198 6.303 -10.174 1.00 0.00 O ATOM 0 H GLY B 21 -5.746 6.953 -10.576 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -4.029 8.257 -12.611 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -4.321 8.827 -10.981 1.00 0.00 H new ATOM 1171 N ARG B 22 -1.870 7.335 -11.678 1.00 0.00 N ATOM 1172 CA ARG B 22 -0.635 6.592 -11.455 1.00 0.00 C ATOM 1173 C ARG B 22 -0.252 6.708 -9.988 1.00 0.00 C ATOM 1174 O ARG B 22 0.058 7.813 -9.541 1.00 0.00 O ATOM 1175 CB ARG B 22 0.446 7.158 -12.398 1.00 0.00 C ATOM 1176 CG ARG B 22 1.842 6.514 -12.297 1.00 0.00 C ATOM 1177 CD ARG B 22 2.782 7.171 -11.268 1.00 0.00 C ATOM 1178 NE ARG B 22 4.173 6.714 -11.451 1.00 0.00 N ATOM 1179 CZ ARG B 22 5.221 6.987 -10.659 1.00 0.00 C ATOM 1180 NH1 ARG B 22 5.126 7.887 -9.681 1.00 0.00 N ATOM 1181 NH2 ARG B 22 6.365 6.324 -10.826 1.00 0.00 N ATOM 0 H ARG B 22 -1.752 8.085 -12.359 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.753 5.532 -11.678 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.094 7.054 -13.424 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.546 8.226 -12.202 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.724 5.461 -12.040 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.316 6.552 -13.278 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.736 8.255 -11.369 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.447 6.931 -10.259 1.00 0.00 H new ATOM 0 HE ARG B 22 4.357 6.129 -12.266 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.247 8.380 -9.525 1.00 0.00 H new ATOM 0 HH12 ARG B 22 5.932 8.083 -9.088 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.441 5.613 -11.553 1.00 0.00 H new ATOM 0 HH22 ARG B 22 7.165 6.528 -10.227 1.00 0.00 H new ATOM 1195 N ILE B 23 -0.215 5.584 -9.264 1.00 0.00 N ATOM 1196 CA ILE B 23 0.396 5.545 -7.948 1.00 0.00 C ATOM 1197 C ILE B 23 1.577 4.585 -8.013 1.00 0.00 C ATOM 1198 O ILE B 23 1.429 3.399 -8.293 1.00 0.00 O ATOM 1199 CB ILE B 23 -0.548 5.127 -6.801 1.00 0.00 C ATOM 1200 CG1 ILE B 23 -1.948 5.770 -6.790 1.00 0.00 C ATOM 1201 CG2 ILE B 23 0.200 5.516 -5.502 1.00 0.00 C ATOM 1202 CD1 ILE B 23 -2.855 5.075 -5.761 1.00 0.00 C ATOM 0 H ILE B 23 -0.603 4.693 -9.575 1.00 0.00 H new ATOM 0 HA ILE B 23 0.696 6.565 -7.708 1.00 0.00 H new ATOM 0 HB ILE B 23 -0.759 4.064 -6.917 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -1.865 6.830 -6.552 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -2.394 5.700 -7.782 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -0.409 5.250 -4.638 1.00 0.00 H new ATOM 0 HG22 ILE B 23 1.149 4.983 -5.455 1.00 0.00 H new ATOM 0 HG23 ILE B 23 0.387 6.590 -5.497 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -3.839 5.543 -5.768 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -2.953 4.020 -6.017 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -2.416 5.168 -4.768 1.00 0.00 H new ATOM 1214 N GLU B 24 2.755 5.098 -7.692 1.00 0.00 N ATOM 1215 CA GLU B 24 3.910 4.296 -7.349 1.00 0.00 C ATOM 1216 C GLU B 24 3.727 3.776 -5.921 1.00 0.00 C ATOM 1217 O GLU B 24 4.014 4.496 -4.959 1.00 0.00 O ATOM 1218 CB GLU B 24 5.116 5.209 -7.525 1.00 0.00 C ATOM 1219 CG GLU B 24 6.445 4.533 -7.245 1.00 0.00 C ATOM 1220 CD GLU B 24 7.577 5.524 -7.489 1.00 0.00 C ATOM 1221 OE1 GLU B 24 7.863 5.825 -8.676 1.00 0.00 O ATOM 1222 OE2 GLU B 24 8.260 5.900 -6.513 1.00 0.00 O ATOM 0 H GLU B 24 2.934 6.102 -7.663 1.00 0.00 H new ATOM 0 HA GLU B 24 4.046 3.415 -7.977 1.00 0.00 H new ATOM 0 HB2 GLU B 24 5.123 5.593 -8.545 1.00 0.00 H new ATOM 0 HB3 GLU B 24 5.009 6.067 -6.862 1.00 0.00 H new ATOM 0 HG2 GLU B 24 6.475 4.176 -6.215 1.00 0.00 H new ATOM 0 HG3 GLU B 24 6.565 3.661 -7.888 1.00 0.00 H new ATOM 1229 N LEU B 25 3.194 2.555 -5.769 1.00 0.00 N ATOM 1230 CA LEU B 25 2.955 1.972 -4.453 1.00 0.00 C ATOM 1231 C LEU B 25 4.311 1.596 -3.875 1.00 0.00 C ATOM 1232 O LEU B 25 4.847 0.527 -4.183 1.00 0.00 O ATOM 1233 CB LEU B 25 2.021 0.745 -4.470 1.00 0.00 C ATOM 1234 CG LEU B 25 0.689 0.906 -5.217 1.00 0.00 C ATOM 1235 CD1 LEU B 25 -0.129 -0.383 -5.075 1.00 0.00 C ATOM 1236 CD2 LEU B 25 -0.094 2.089 -4.662 1.00 0.00 C ATOM 0 H LEU B 25 2.922 1.955 -6.548 1.00 0.00 H new ATOM 0 HA LEU B 25 2.439 2.711 -3.841 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.563 -0.090 -4.915 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.802 0.469 -3.439 1.00 0.00 H new ATOM 0 HG LEU B 25 0.890 1.095 -6.271 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.076 -0.273 -5.604 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.429 -1.217 -5.500 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.323 -0.576 -4.020 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -1.035 2.188 -5.203 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -0.299 1.925 -3.604 1.00 0.00 H new ATOM 0 HD23 LEU B 25 0.491 3.001 -4.781 1.00 0.00 H new ATOM 1248 N THR B 26 4.892 2.504 -3.090 1.00 0.00 N ATOM 1249 CA THR B 26 6.172 2.248 -2.463 1.00 0.00 C ATOM 1250 C THR B 26 5.910 1.414 -1.202 1.00 0.00 C ATOM 1251 O THR B 26 5.577 1.940 -0.142 1.00 0.00 O ATOM 1252 CB THR B 26 6.979 3.531 -2.244 1.00 0.00 C ATOM 1253 OG1 THR B 26 6.954 4.333 -3.412 1.00 0.00 O ATOM 1254 CG2 THR B 26 8.443 3.153 -1.982 1.00 0.00 C ATOM 0 H THR B 26 4.491 3.418 -2.879 1.00 0.00 H new ATOM 0 HA THR B 26 6.822 1.668 -3.118 1.00 0.00 H new ATOM 0 HB THR B 26 6.548 4.077 -1.405 1.00 0.00 H new ATOM 0 HG1 THR B 26 7.180 5.258 -3.179 1.00 0.00 H new ATOM 0 HG21 THR B 26 9.030 4.058 -1.824 1.00 0.00 H new ATOM 0 HG22 THR B 26 8.503 2.522 -1.095 1.00 0.00 H new ATOM 0 HG23 THR B 26 8.838 2.610 -2.841 1.00 0.00 H new ATOM 1262 N VAL B 27 5.994 0.093 -1.344 1.00 0.00 N ATOM 1263 CA VAL B 27 5.729 -0.875 -0.286 1.00 0.00 C ATOM 1264 C VAL B 27 7.104 -1.448 0.049 1.00 0.00 C ATOM 1265 O VAL B 27 7.898 -1.789 -0.834 1.00 0.00 O ATOM 1266 CB VAL B 27 4.636 -1.903 -0.719 1.00 0.00 C ATOM 1267 CG1 VAL B 27 3.395 -1.161 -1.233 1.00 0.00 C ATOM 1268 CG2 VAL B 27 5.107 -2.802 -1.877 1.00 0.00 C ATOM 0 H VAL B 27 6.257 -0.345 -2.227 1.00 0.00 H new ATOM 0 HA VAL B 27 5.289 -0.449 0.616 1.00 0.00 H new ATOM 0 HB VAL B 27 4.422 -2.509 0.161 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.637 -1.884 -1.533 1.00 0.00 H new ATOM 0 HG12 VAL B 27 2.997 -0.526 -0.442 1.00 0.00 H new ATOM 0 HG13 VAL B 27 3.668 -0.545 -2.090 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.313 -3.500 -2.142 1.00 0.00 H new ATOM 0 HG22 VAL B 27 5.351 -2.184 -2.741 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.991 -3.359 -1.568 1.00 0.00 H new ATOM 1278 N GLU B 28 7.448 -1.439 1.332 1.00 0.00 N ATOM 1279 CA GLU B 28 8.791 -1.743 1.780 1.00 0.00 C ATOM 1280 C GLU B 28 8.719 -3.240 2.107 1.00 0.00 C ATOM 1281 O GLU B 28 8.443 -3.690 3.220 1.00 0.00 O ATOM 1282 CB GLU B 28 9.149 -0.726 2.871 1.00 0.00 C ATOM 1283 CG GLU B 28 10.635 -0.372 2.949 1.00 0.00 C ATOM 1284 CD GLU B 28 11.093 -0.034 4.369 1.00 0.00 C ATOM 1285 OE1 GLU B 28 10.820 -0.857 5.278 1.00 0.00 O ATOM 1286 OE2 GLU B 28 11.694 1.047 4.543 1.00 0.00 O ATOM 0 H GLU B 28 6.799 -1.220 2.087 1.00 0.00 H new ATOM 0 HA GLU B 28 9.625 -1.627 1.088 1.00 0.00 H new ATOM 0 HB2 GLU B 28 8.580 0.188 2.698 1.00 0.00 H new ATOM 0 HB3 GLU B 28 8.832 -1.121 3.836 1.00 0.00 H new ATOM 0 HG2 GLU B 28 11.223 -1.209 2.573 1.00 0.00 H new ATOM 0 HG3 GLU B 28 10.836 0.477 2.296 1.00 0.00 H new ATOM 1293 N SER B 29 8.809 -4.038 1.046 1.00 0.00 N ATOM 1294 CA SER B 29 8.346 -5.398 0.983 1.00 0.00 C ATOM 1295 C SER B 29 9.271 -6.213 0.099 1.00 0.00 C ATOM 1296 O SER B 29 9.466 -5.867 -1.061 1.00 0.00 O ATOM 1297 CB SER B 29 6.977 -5.360 0.325 1.00 0.00 C ATOM 1298 OG SER B 29 6.094 -4.429 0.926 1.00 0.00 O ATOM 0 H SER B 29 9.229 -3.727 0.170 1.00 0.00 H new ATOM 0 HA SER B 29 8.315 -5.842 1.978 1.00 0.00 H new ATOM 0 HB2 SER B 29 7.095 -5.111 -0.730 1.00 0.00 H new ATOM 0 HB3 SER B 29 6.532 -6.354 0.370 1.00 0.00 H new ATOM 0 HG SER B 29 5.190 -4.559 0.570 1.00 0.00 H new ATOM 1304 N SER B 30 9.823 -7.292 0.636 1.00 0.00 N ATOM 1305 CA SER B 30 10.874 -8.099 0.015 1.00 0.00 C ATOM 1306 C SER B 30 10.381 -8.606 -1.336 1.00 0.00 C ATOM 1307 O SER B 30 9.194 -8.878 -1.456 1.00 0.00 O ATOM 1308 CB SER B 30 11.163 -9.301 0.916 1.00 0.00 C ATOM 1309 OG SER B 30 11.248 -8.886 2.273 1.00 0.00 O ATOM 0 H SER B 30 9.543 -7.646 1.551 1.00 0.00 H new ATOM 0 HA SER B 30 11.775 -7.500 -0.120 1.00 0.00 H new ATOM 0 HB2 SER B 30 10.376 -10.046 0.804 1.00 0.00 H new ATOM 0 HB3 SER B 30 12.097 -9.776 0.614 1.00 0.00 H new ATOM 0 HG SER B 30 11.432 -9.663 2.842 1.00 0.00 H new ATOM 1315 N ALA B 31 11.251 -8.775 -2.338 1.00 0.00 N ATOM 1316 CA ALA B 31 10.812 -8.884 -3.731 1.00 0.00 C ATOM 1317 C ALA B 31 9.688 -9.893 -3.980 1.00 0.00 C ATOM 1318 O ALA B 31 8.785 -9.595 -4.761 1.00 0.00 O ATOM 1319 CB ALA B 31 12.007 -9.222 -4.628 1.00 0.00 C ATOM 0 H ALA B 31 12.261 -8.839 -2.209 1.00 0.00 H new ATOM 0 HA ALA B 31 10.393 -7.908 -3.977 1.00 0.00 H new ATOM 0 HB1 ALA B 31 11.674 -9.302 -5.663 1.00 0.00 H new ATOM 0 HB2 ALA B 31 12.756 -8.435 -4.548 1.00 0.00 H new ATOM 0 HB3 ALA B 31 12.442 -10.170 -4.313 1.00 0.00 H new ATOM 1325 N GLU B 32 9.698 -11.050 -3.306 1.00 0.00 N ATOM 1326 CA GLU B 32 8.707 -12.079 -3.562 1.00 0.00 C ATOM 1327 C GLU B 32 7.556 -12.086 -2.560 1.00 0.00 C ATOM 1328 O GLU B 32 6.491 -12.655 -2.803 1.00 0.00 O ATOM 1329 CB GLU B 32 9.362 -13.444 -3.766 1.00 0.00 C ATOM 1330 CG GLU B 32 8.684 -14.092 -4.987 1.00 0.00 C ATOM 1331 CD GLU B 32 9.259 -15.410 -5.498 1.00 0.00 C ATOM 1332 OE1 GLU B 32 10.008 -16.080 -4.758 1.00 0.00 O ATOM 1333 OE2 GLU B 32 8.911 -15.716 -6.665 1.00 0.00 O ATOM 0 H GLU B 32 10.380 -11.287 -2.586 1.00 0.00 H new ATOM 0 HA GLU B 32 8.225 -11.824 -4.506 1.00 0.00 H new ATOM 0 HB2 GLU B 32 10.434 -13.336 -3.932 1.00 0.00 H new ATOM 0 HB3 GLU B 32 9.238 -14.067 -2.880 1.00 0.00 H new ATOM 0 HG2 GLU B 32 7.635 -14.256 -4.741 1.00 0.00 H new ATOM 0 HG3 GLU B 32 8.711 -13.374 -5.806 1.00 0.00 H new ATOM 1340 N ASP B 33 7.735 -11.351 -1.472 1.00 0.00 N ATOM 1341 CA ASP B 33 6.695 -10.930 -0.567 1.00 0.00 C ATOM 1342 C ASP B 33 5.859 -9.834 -1.259 1.00 0.00 C ATOM 1343 O ASP B 33 4.628 -9.877 -1.276 1.00 0.00 O ATOM 1344 CB ASP B 33 7.409 -10.463 0.710 1.00 0.00 C ATOM 1345 CG ASP B 33 6.610 -10.743 1.970 1.00 0.00 C ATOM 1346 OD1 ASP B 33 5.370 -10.653 1.905 1.00 0.00 O ATOM 1347 OD2 ASP B 33 7.267 -11.011 3.004 1.00 0.00 O ATOM 0 H ASP B 33 8.658 -11.020 -1.190 1.00 0.00 H new ATOM 0 HA ASP B 33 5.992 -11.719 -0.300 1.00 0.00 H new ATOM 0 HB2 ASP B 33 8.377 -10.960 0.782 1.00 0.00 H new ATOM 0 HB3 ASP B 33 7.605 -9.393 0.640 1.00 0.00 H new ATOM 1352 N LEU B 34 6.543 -8.927 -1.976 1.00 0.00 N ATOM 1353 CA LEU B 34 5.965 -7.936 -2.886 1.00 0.00 C ATOM 1354 C LEU B 34 5.217 -8.644 -4.003 1.00 0.00 C ATOM 1355 O LEU B 34 4.092 -8.283 -4.328 1.00 0.00 O ATOM 1356 CB LEU B 34 7.065 -6.999 -3.418 1.00 0.00 C ATOM 1357 CG LEU B 34 6.693 -6.189 -4.685 1.00 0.00 C ATOM 1358 CD1 LEU B 34 7.403 -4.836 -4.631 1.00 0.00 C ATOM 1359 CD2 LEU B 34 7.120 -6.856 -6.004 1.00 0.00 C ATOM 0 H LEU B 34 7.560 -8.866 -1.932 1.00 0.00 H new ATOM 0 HA LEU B 34 5.247 -7.314 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU B 34 7.337 -6.300 -2.627 1.00 0.00 H new ATOM 0 HB3 LEU B 34 7.952 -7.594 -3.635 1.00 0.00 H new ATOM 0 HG LEU B 34 5.606 -6.110 -4.680 1.00 0.00 H new ATOM 0 HD11 LEU B 34 7.149 -4.256 -5.518 1.00 0.00 H new ATOM 0 HD12 LEU B 34 7.086 -4.294 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU B 34 8.481 -4.992 -4.596 1.00 0.00 H new ATOM 0 HD21 LEU B 34 6.823 -6.226 -6.843 1.00 0.00 H new ATOM 0 HD22 LEU B 34 8.202 -6.986 -6.012 1.00 0.00 H new ATOM 0 HD23 LEU B 34 6.637 -7.829 -6.092 1.00 0.00 H new ATOM 1371 N ARG B 35 5.845 -9.664 -4.580 1.00 0.00 N ATOM 1372 CA ARG B 35 5.258 -10.500 -5.625 1.00 0.00 C ATOM 1373 C ARG B 35 3.997 -11.140 -5.081 1.00 0.00 C ATOM 1374 O ARG B 35 2.961 -11.052 -5.725 1.00 0.00 O ATOM 1375 CB ARG B 35 6.235 -11.574 -6.122 1.00 0.00 C ATOM 1376 CG ARG B 35 5.744 -12.273 -7.397 1.00 0.00 C ATOM 1377 CD ARG B 35 6.696 -13.401 -7.819 1.00 0.00 C ATOM 1378 NE ARG B 35 6.236 -14.044 -9.053 1.00 0.00 N ATOM 1379 CZ ARG B 35 6.703 -15.190 -9.568 1.00 0.00 C ATOM 1380 NH1 ARG B 35 7.665 -15.908 -8.986 1.00 0.00 N ATOM 1381 NH2 ARG B 35 6.175 -15.622 -10.711 1.00 0.00 N ATOM 0 H ARG B 35 6.795 -9.939 -4.330 1.00 0.00 H new ATOM 0 HA ARG B 35 5.022 -9.871 -6.483 1.00 0.00 H new ATOM 0 HB2 ARG B 35 7.206 -11.116 -6.314 1.00 0.00 H new ATOM 0 HB3 ARG B 35 6.382 -12.317 -5.338 1.00 0.00 H new ATOM 0 HG2 ARG B 35 4.747 -12.680 -7.230 1.00 0.00 H new ATOM 0 HG3 ARG B 35 5.660 -11.545 -8.204 1.00 0.00 H new ATOM 0 HD2 ARG B 35 7.699 -12.999 -7.966 1.00 0.00 H new ATOM 0 HD3 ARG B 35 6.763 -14.142 -7.022 1.00 0.00 H new ATOM 0 HE ARG B 35 5.491 -13.576 -9.568 1.00 0.00 H new ATOM 0 HH11 ARG B 35 8.079 -15.591 -8.109 1.00 0.00 H new ATOM 0 HH12 ARG B 35 7.987 -16.774 -9.418 1.00 0.00 H new ATOM 0 HH21 ARG B 35 5.438 -15.085 -11.168 1.00 0.00 H new ATOM 0 HH22 ARG B 35 6.507 -16.490 -11.130 1.00 0.00 H new ATOM 1395 N THR B 36 4.066 -11.763 -3.909 1.00 0.00 N ATOM 1396 CA THR B 36 2.914 -12.392 -3.277 1.00 0.00 C ATOM 1397 C THR B 36 1.783 -11.365 -3.120 1.00 0.00 C ATOM 1398 O THR B 36 0.664 -11.607 -3.584 1.00 0.00 O ATOM 1399 CB THR B 36 3.340 -13.046 -1.948 1.00 0.00 C ATOM 1400 OG1 THR B 36 4.379 -13.977 -2.188 1.00 0.00 O ATOM 1401 CG2 THR B 36 2.186 -13.801 -1.280 1.00 0.00 C ATOM 0 H THR B 36 4.927 -11.846 -3.369 1.00 0.00 H new ATOM 0 HA THR B 36 2.523 -13.192 -3.905 1.00 0.00 H new ATOM 0 HB THR B 36 3.667 -12.242 -1.288 1.00 0.00 H new ATOM 0 HG1 THR B 36 5.240 -13.509 -2.206 1.00 0.00 H new ATOM 0 HG21 THR B 36 2.533 -14.245 -0.347 1.00 0.00 H new ATOM 0 HG22 THR B 36 1.371 -13.108 -1.071 1.00 0.00 H new ATOM 0 HG23 THR B 36 1.832 -14.588 -1.946 1.00 0.00 H new ATOM 1409 N LEU B 37 2.069 -10.190 -2.545 1.00 0.00 N ATOM 1410 CA LEU B 37 1.045 -9.161 -2.389 1.00 0.00 C ATOM 1411 C LEU B 37 0.574 -8.604 -3.757 1.00 0.00 C ATOM 1412 O LEU B 37 -0.593 -8.252 -3.915 1.00 0.00 O ATOM 1413 CB LEU B 37 1.472 -8.130 -1.324 1.00 0.00 C ATOM 1414 CG LEU B 37 2.008 -6.771 -1.823 1.00 0.00 C ATOM 1415 CD1 LEU B 37 0.889 -5.706 -1.801 1.00 0.00 C ATOM 1416 CD2 LEU B 37 3.179 -6.323 -0.936 1.00 0.00 C ATOM 0 H LEU B 37 2.989 -9.935 -2.186 1.00 0.00 H new ATOM 0 HA LEU B 37 0.132 -9.598 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU B 37 0.614 -7.937 -0.679 1.00 0.00 H new ATOM 0 HB3 LEU B 37 2.242 -8.587 -0.702 1.00 0.00 H new ATOM 0 HG LEU B 37 2.355 -6.884 -2.850 1.00 0.00 H new ATOM 0 HD11 LEU B 37 1.285 -4.755 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU B 37 0.072 -6.023 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU B 37 0.519 -5.588 -0.782 1.00 0.00 H new ATOM 0 HD21 LEU B 37 3.557 -5.363 -1.289 1.00 0.00 H new ATOM 0 HD22 LEU B 37 2.837 -6.222 0.094 1.00 0.00 H new ATOM 0 HD23 LEU B 37 3.975 -7.066 -0.982 1.00 0.00 H new ATOM 1428 N GLN B 38 1.421 -8.614 -4.794 1.00 0.00 N ATOM 1429 CA GLN B 38 1.033 -8.296 -6.164 1.00 0.00 C ATOM 1430 C GLN B 38 0.082 -9.377 -6.696 1.00 0.00 C ATOM 1431 O GLN B 38 -0.834 -9.047 -7.445 1.00 0.00 O ATOM 1432 CB GLN B 38 2.297 -8.137 -7.028 1.00 0.00 C ATOM 1433 CG GLN B 38 2.100 -8.073 -8.552 1.00 0.00 C ATOM 1434 CD GLN B 38 3.358 -8.586 -9.245 1.00 0.00 C ATOM 1435 OE1 GLN B 38 3.388 -9.702 -9.758 1.00 0.00 O ATOM 1436 NE2 GLN B 38 4.442 -7.823 -9.200 1.00 0.00 N ATOM 0 H GLN B 38 2.409 -8.848 -4.698 1.00 0.00 H new ATOM 0 HA GLN B 38 0.493 -7.350 -6.200 1.00 0.00 H new ATOM 0 HB2 GLN B 38 2.809 -7.227 -6.715 1.00 0.00 H new ATOM 0 HB3 GLN B 38 2.964 -8.970 -6.808 1.00 0.00 H new ATOM 0 HG2 GLN B 38 1.239 -8.674 -8.844 1.00 0.00 H new ATOM 0 HG3 GLN B 38 1.893 -7.048 -8.861 1.00 0.00 H new ATOM 0 HE21 GLN B 38 4.398 -6.899 -8.770 1.00 0.00 H new ATOM 0 HE22 GLN B 38 5.320 -8.160 -9.595 1.00 0.00 H new ATOM 1445 N GLN B 39 0.243 -10.650 -6.305 1.00 0.00 N ATOM 1446 CA GLN B 39 -0.705 -11.689 -6.675 1.00 0.00 C ATOM 1447 C GLN B 39 -2.045 -11.429 -5.986 1.00 0.00 C ATOM 1448 O GLN B 39 -3.081 -11.635 -6.610 1.00 0.00 O ATOM 1449 CB GLN B 39 -0.216 -13.111 -6.388 1.00 0.00 C ATOM 1450 CG GLN B 39 1.186 -13.464 -6.902 1.00 0.00 C ATOM 1451 CD GLN B 39 1.552 -12.874 -8.268 1.00 0.00 C ATOM 1452 OE1 GLN B 39 1.144 -13.369 -9.311 1.00 0.00 O ATOM 1453 NE2 GLN B 39 2.351 -11.816 -8.261 1.00 0.00 N ATOM 0 H GLN B 39 1.023 -10.976 -5.734 1.00 0.00 H new ATOM 0 HA GLN B 39 -0.820 -11.635 -7.758 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -0.235 -13.268 -5.310 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -0.927 -13.812 -6.825 1.00 0.00 H new ATOM 0 HG2 GLN B 39 1.919 -13.125 -6.170 1.00 0.00 H new ATOM 0 HG3 GLN B 39 1.271 -14.549 -6.959 1.00 0.00 H new ATOM 0 HE21 GLN B 39 2.674 -11.427 -7.375 1.00 0.00 H new ATOM 0 HE22 GLN B 39 2.643 -11.391 -9.141 1.00 0.00 H new ATOM 1462 N LEU B 40 -2.042 -10.913 -4.745 1.00 0.00 N ATOM 1463 CA LEU B 40 -3.269 -10.401 -4.133 1.00 0.00 C ATOM 1464 C LEU B 40 -3.890 -9.304 -5.006 1.00 0.00 C ATOM 1465 O LEU B 40 -5.095 -9.341 -5.233 1.00 0.00 O ATOM 1466 CB LEU B 40 -3.071 -9.892 -2.697 1.00 0.00 C ATOM 1467 CG LEU B 40 -2.325 -10.825 -1.726 1.00 0.00 C ATOM 1468 CD1 LEU B 40 -2.091 -10.104 -0.392 1.00 0.00 C ATOM 1469 CD2 LEU B 40 -3.040 -12.155 -1.480 1.00 0.00 C ATOM 0 H LEU B 40 -1.212 -10.842 -4.156 1.00 0.00 H new ATOM 0 HA LEU B 40 -3.952 -11.248 -4.069 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -2.530 -8.947 -2.743 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.053 -9.677 -2.275 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.375 -11.071 -2.201 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.563 -10.768 0.293 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -1.494 -9.208 -0.562 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.050 -9.823 0.043 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.456 -12.759 -0.786 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -4.025 -11.965 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.149 -12.689 -2.424 1.00 0.00 H new ATOM 1481 N PHE B 41 -3.100 -8.355 -5.529 1.00 0.00 N ATOM 1482 CA PHE B 41 -3.620 -7.309 -6.423 1.00 0.00 C ATOM 1483 C PHE B 41 -4.205 -7.909 -7.702 1.00 0.00 C ATOM 1484 O PHE B 41 -5.288 -7.524 -8.132 1.00 0.00 O ATOM 1485 CB PHE B 41 -2.549 -6.255 -6.747 1.00 0.00 C ATOM 1486 CG PHE B 41 -2.539 -5.077 -5.794 1.00 0.00 C ATOM 1487 CD1 PHE B 41 -2.144 -5.246 -4.454 1.00 0.00 C ATOM 1488 CD2 PHE B 41 -2.954 -3.808 -6.241 1.00 0.00 C ATOM 1489 CE1 PHE B 41 -2.177 -4.163 -3.562 1.00 0.00 C ATOM 1490 CE2 PHE B 41 -2.977 -2.722 -5.352 1.00 0.00 C ATOM 1491 CZ PHE B 41 -2.602 -2.903 -4.010 1.00 0.00 C ATOM 0 H PHE B 41 -2.098 -8.290 -5.348 1.00 0.00 H new ATOM 0 HA PHE B 41 -4.427 -6.804 -5.892 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -1.568 -6.731 -6.731 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -2.709 -5.888 -7.761 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -1.813 -6.215 -4.110 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -3.255 -3.670 -7.269 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -1.876 -4.299 -2.534 1.00 0.00 H new ATOM 0 HE2 PHE B 41 -3.283 -1.746 -5.700 1.00 0.00 H new ATOM 0 HZ PHE B 41 -2.641 -2.071 -3.322 1.00 0.00 H new ATOM 1501 N LEU B 42 -3.504 -8.872 -8.300 1.00 0.00 N ATOM 1502 CA LEU B 42 -3.965 -9.592 -9.480 1.00 0.00 C ATOM 1503 C LEU B 42 -5.231 -10.417 -9.193 1.00 0.00 C ATOM 1504 O LEU B 42 -6.022 -10.641 -10.106 1.00 0.00 O ATOM 1505 CB LEU B 42 -2.818 -10.487 -9.974 1.00 0.00 C ATOM 1506 CG LEU B 42 -1.706 -9.718 -10.721 1.00 0.00 C ATOM 1507 CD1 LEU B 42 -0.439 -10.578 -10.816 1.00 0.00 C ATOM 1508 CD2 LEU B 42 -2.144 -9.317 -12.138 1.00 0.00 C ATOM 0 H LEU B 42 -2.587 -9.176 -7.971 1.00 0.00 H new ATOM 0 HA LEU B 42 -4.240 -8.875 -10.254 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.379 -11.004 -9.121 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -3.225 -11.252 -10.635 1.00 0.00 H new ATOM 0 HG LEU B 42 -1.502 -8.811 -10.152 1.00 0.00 H new ATOM 0 HD11 LEU B 42 0.337 -10.025 -11.345 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -0.090 -10.824 -9.813 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -0.663 -11.497 -11.358 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -1.334 -8.778 -12.630 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.385 -10.212 -12.711 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -3.023 -8.676 -12.079 1.00 0.00 H new ATOM 1520 N SER B 43 -5.421 -10.868 -7.948 1.00 0.00 N ATOM 1521 CA SER B 43 -6.560 -11.641 -7.489 1.00 0.00 C ATOM 1522 C SER B 43 -7.774 -10.759 -7.178 1.00 0.00 C ATOM 1523 O SER B 43 -8.832 -10.897 -7.788 1.00 0.00 O ATOM 1524 CB SER B 43 -6.112 -12.419 -6.234 1.00 0.00 C ATOM 1525 OG SER B 43 -7.180 -12.954 -5.477 1.00 0.00 O ATOM 0 H SER B 43 -4.747 -10.690 -7.204 1.00 0.00 H new ATOM 0 HA SER B 43 -6.879 -12.322 -8.278 1.00 0.00 H new ATOM 0 HB2 SER B 43 -5.453 -13.232 -6.539 1.00 0.00 H new ATOM 0 HB3 SER B 43 -5.526 -11.756 -5.598 1.00 0.00 H new ATOM 0 HG SER B 43 -7.315 -12.411 -4.673 1.00 0.00 H new ATOM 1531 N THR B 44 -7.605 -9.883 -6.187 1.00 0.00 N ATOM 1532 CA THR B 44 -8.666 -9.272 -5.419 1.00 0.00 C ATOM 1533 C THR B 44 -8.461 -7.811 -5.031 1.00 0.00 C ATOM 1534 O THR B 44 -9.422 -7.141 -4.654 1.00 0.00 O ATOM 1535 CB THR B 44 -8.828 -10.122 -4.130 1.00 0.00 C ATOM 1536 OG1 THR B 44 -7.704 -10.950 -3.829 1.00 0.00 O ATOM 1537 CG2 THR B 44 -10.007 -11.057 -4.320 1.00 0.00 C ATOM 0 H THR B 44 -6.679 -9.573 -5.892 1.00 0.00 H new ATOM 0 HA THR B 44 -9.549 -9.258 -6.058 1.00 0.00 H new ATOM 0 HB THR B 44 -8.953 -9.411 -3.314 1.00 0.00 H new ATOM 0 HG1 THR B 44 -7.288 -10.646 -2.995 1.00 0.00 H new ATOM 0 HG21 THR B 44 -10.138 -11.664 -3.424 1.00 0.00 H new ATOM 0 HG22 THR B 44 -10.910 -10.473 -4.498 1.00 0.00 H new ATOM 0 HG23 THR B 44 -9.822 -11.707 -5.175 1.00 0.00 H new ATOM 1545 N LEU B 45 -7.216 -7.345 -5.061 1.00 0.00 N ATOM 1546 CA LEU B 45 -6.796 -6.134 -4.351 1.00 0.00 C ATOM 1547 C LEU B 45 -6.571 -4.906 -5.234 1.00 0.00 C ATOM 1548 O LEU B 45 -6.198 -5.009 -6.400 1.00 0.00 O ATOM 1549 CB LEU B 45 -5.529 -6.442 -3.530 1.00 0.00 C ATOM 1550 CG LEU B 45 -5.764 -6.286 -2.035 1.00 0.00 C ATOM 1551 CD1 LEU B 45 -6.755 -7.350 -1.559 1.00 0.00 C ATOM 1552 CD2 LEU B 45 -4.443 -6.429 -1.274 1.00 0.00 C ATOM 0 H LEU B 45 -6.464 -7.797 -5.580 1.00 0.00 H new ATOM 0 HA LEU B 45 -7.630 -5.861 -3.705 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -5.200 -7.459 -3.741 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -4.725 -5.776 -3.842 1.00 0.00 H new ATOM 0 HG LEU B 45 -6.175 -5.295 -1.841 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -6.923 -7.238 -0.488 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -7.700 -7.230 -2.089 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -6.349 -8.341 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -4.625 -6.315 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -4.017 -7.413 -1.467 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -3.746 -5.660 -1.607 1.00 0.00 H new ATOM 1564 N SER B 46 -6.719 -3.730 -4.621 1.00 0.00 N ATOM 1565 CA SER B 46 -6.534 -2.420 -5.217 1.00 0.00 C ATOM 1566 C SER B 46 -5.893 -1.473 -4.184 1.00 0.00 C ATOM 1567 O SER B 46 -5.656 -1.837 -3.026 1.00 0.00 O ATOM 1568 CB SER B 46 -7.889 -1.924 -5.765 1.00 0.00 C ATOM 1569 OG SER B 46 -8.996 -2.329 -4.977 1.00 0.00 O ATOM 0 H SER B 46 -6.987 -3.671 -3.639 1.00 0.00 H new ATOM 0 HA SER B 46 -5.847 -2.459 -6.063 1.00 0.00 H new ATOM 0 HB2 SER B 46 -7.873 -0.836 -5.824 1.00 0.00 H new ATOM 0 HB3 SER B 46 -8.020 -2.296 -6.781 1.00 0.00 H new ATOM 0 HG SER B 46 -9.768 -1.760 -5.180 1.00 0.00 H new ATOM 1575 N PHE B 47 -5.574 -0.241 -4.596 1.00 0.00 N ATOM 1576 CA PHE B 47 -5.000 0.769 -3.719 1.00 0.00 C ATOM 1577 C PHE B 47 -5.732 2.085 -3.923 1.00 0.00 C ATOM 1578 O PHE B 47 -6.279 2.358 -4.998 1.00 0.00 O ATOM 1579 CB PHE B 47 -3.496 0.930 -3.970 1.00 0.00 C ATOM 1580 CG PHE B 47 -2.740 1.550 -2.804 1.00 0.00 C ATOM 1581 CD1 PHE B 47 -2.677 2.948 -2.651 1.00 0.00 C ATOM 1582 CD2 PHE B 47 -2.067 0.726 -1.881 1.00 0.00 C ATOM 1583 CE1 PHE B 47 -1.980 3.517 -1.572 1.00 0.00 C ATOM 1584 CE2 PHE B 47 -1.338 1.298 -0.825 1.00 0.00 C ATOM 1585 CZ PHE B 47 -1.314 2.691 -0.654 1.00 0.00 C ATOM 0 H PHE B 47 -5.710 0.079 -5.555 1.00 0.00 H new ATOM 0 HA PHE B 47 -5.121 0.450 -2.684 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -3.067 -0.048 -4.190 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -3.349 1.548 -4.856 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -3.168 3.588 -3.369 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -2.111 -0.348 -1.985 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -1.957 4.590 -1.449 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -0.794 0.663 -0.142 1.00 0.00 H new ATOM 0 HZ PHE B 47 -0.785 3.125 0.181 1.00 0.00 H new ATOM 1595 N VAL B 48 -5.705 2.896 -2.867 1.00 0.00 N ATOM 1596 CA VAL B 48 -6.423 4.135 -2.735 1.00 0.00 C ATOM 1597 C VAL B 48 -5.475 5.137 -2.053 1.00 0.00 C ATOM 1598 O VAL B 48 -5.189 5.021 -0.864 1.00 0.00 O ATOM 1599 CB VAL B 48 -7.781 3.804 -2.067 1.00 0.00 C ATOM 1600 CG1 VAL B 48 -8.422 4.886 -1.214 1.00 0.00 C ATOM 1601 CG2 VAL B 48 -8.813 3.455 -3.152 1.00 0.00 C ATOM 0 H VAL B 48 -5.146 2.682 -2.041 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.705 4.637 -3.661 1.00 0.00 H new ATOM 0 HB VAL B 48 -7.528 2.986 -1.393 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -9.365 4.519 -0.809 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -7.753 5.147 -0.394 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -8.608 5.769 -1.826 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -9.769 3.222 -2.683 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -8.936 4.304 -3.824 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -8.467 2.591 -3.719 1.00 0.00 H new ATOM 1611 N CYS B 49 -4.896 6.059 -2.840 1.00 0.00 N ATOM 1612 CA CYS B 49 -3.859 7.006 -2.396 1.00 0.00 C ATOM 1613 C CYS B 49 -4.351 7.843 -1.204 1.00 0.00 C ATOM 1614 O CYS B 49 -5.528 8.197 -1.183 1.00 0.00 O ATOM 1615 CB CYS B 49 -3.462 7.914 -3.575 1.00 0.00 C ATOM 1616 SG CYS B 49 -4.811 8.627 -4.572 1.00 0.00 S ATOM 0 H CYS B 49 -5.141 6.169 -3.824 1.00 0.00 H new ATOM 0 HA CYS B 49 -2.985 6.446 -2.063 1.00 0.00 H new ATOM 0 HB2 CYS B 49 -2.863 8.735 -3.181 1.00 0.00 H new ATOM 0 HB3 CYS B 49 -2.818 7.340 -4.241 1.00 0.00 H new ATOM 1621 N PRO B 50 -3.487 8.243 -0.243 1.00 0.00 N ATOM 1622 CA PRO B 50 -3.944 8.906 0.985 1.00 0.00 C ATOM 1623 C PRO B 50 -4.708 10.221 0.740 1.00 0.00 C ATOM 1624 O PRO B 50 -5.600 10.578 1.518 1.00 0.00 O ATOM 1625 CB PRO B 50 -2.695 9.105 1.852 1.00 0.00 C ATOM 1626 CG PRO B 50 -1.531 8.986 0.869 1.00 0.00 C ATOM 1627 CD PRO B 50 -2.050 7.991 -0.166 1.00 0.00 C ATOM 0 HA PRO B 50 -4.682 8.282 1.489 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -2.703 10.078 2.344 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -2.631 8.352 2.637 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -1.286 9.947 0.417 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -0.626 8.624 1.358 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -1.570 8.141 -1.133 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -1.845 6.964 0.136 1.00 0.00 H new ATOM 1635 N TRP B 51 -4.408 10.905 -0.371 1.00 0.00 N ATOM 1636 CA TRP B 51 -5.152 12.056 -0.858 1.00 0.00 C ATOM 1637 C TRP B 51 -6.622 11.682 -1.074 1.00 0.00 C ATOM 1638 O TRP B 51 -7.485 12.199 -0.364 1.00 0.00 O ATOM 1639 CB TRP B 51 -4.495 12.596 -2.139 1.00 0.00 C ATOM 1640 CG TRP B 51 -5.338 13.559 -2.919 1.00 0.00 C ATOM 1641 CD1 TRP B 51 -6.095 14.543 -2.384 1.00 0.00 C ATOM 1642 CD2 TRP B 51 -5.605 13.592 -4.355 1.00 0.00 C ATOM 1643 NE1 TRP B 51 -6.845 15.144 -3.369 1.00 0.00 N ATOM 1644 CE2 TRP B 51 -6.574 14.609 -4.611 1.00 0.00 C ATOM 1645 CE3 TRP B 51 -5.146 12.848 -5.465 1.00 0.00 C ATOM 1646 CZ2 TRP B 51 -7.067 14.869 -5.899 1.00 0.00 C ATOM 1647 CZ3 TRP B 51 -5.626 13.108 -6.763 1.00 0.00 C ATOM 1648 CH2 TRP B 51 -6.584 14.114 -6.981 1.00 0.00 C ATOM 0 H TRP B 51 -3.617 10.660 -0.967 1.00 0.00 H new ATOM 0 HA TRP B 51 -5.128 12.852 -0.114 1.00 0.00 H new ATOM 0 HB2 TRP B 51 -3.560 13.088 -1.872 1.00 0.00 H new ATOM 0 HB3 TRP B 51 -4.240 11.754 -2.783 1.00 0.00 H new ATOM 0 HD1 TRP B 51 -6.109 14.817 -1.339 1.00 0.00 H new ATOM 0 HE1 TRP B 51 -7.518 15.892 -3.201 1.00 0.00 H new ATOM 0 HE3 TRP B 51 -4.415 12.067 -5.315 1.00 0.00 H new ATOM 0 HZ2 TRP B 51 -7.808 15.639 -6.056 1.00 0.00 H new ATOM 0 HZ3 TRP B 51 -5.256 12.531 -7.597 1.00 0.00 H new ATOM 0 HH2 TRP B 51 -6.948 14.306 -7.979 1.00 0.00 H new ATOM 1659 N CYS B 52 -6.922 10.781 -2.019 1.00 0.00 N ATOM 1660 CA CYS B 52 -8.300 10.371 -2.277 1.00 0.00 C ATOM 1661 C CYS B 52 -8.881 9.608 -1.097 1.00 0.00 C ATOM 1662 O CYS B 52 -10.091 9.615 -0.878 1.00 0.00 O ATOM 1663 CB CYS B 52 -8.385 9.517 -3.535 1.00 0.00 C ATOM 1664 SG CYS B 52 -7.900 7.787 -3.402 1.00 0.00 S ATOM 0 H CYS B 52 -6.229 10.326 -2.613 1.00 0.00 H new ATOM 0 HA CYS B 52 -8.886 11.278 -2.424 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -9.413 9.551 -3.896 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -7.763 9.982 -4.300 1.00 0.00 H new ATOM 1669 N ALA B 53 -8.028 8.951 -0.307 1.00 0.00 N ATOM 1670 CA ALA B 53 -8.505 8.258 0.859 1.00 0.00 C ATOM 1671 C ALA B 53 -9.165 9.255 1.816 1.00 0.00 C ATOM 1672 O ALA B 53 -10.207 8.950 2.397 1.00 0.00 O ATOM 1673 CB ALA B 53 -7.366 7.540 1.576 1.00 0.00 C ATOM 0 H ALA B 53 -7.022 8.893 -0.462 1.00 0.00 H new ATOM 0 HA ALA B 53 -9.234 7.513 0.539 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -7.756 7.025 2.454 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -6.911 6.814 0.901 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -6.615 8.267 1.886 1.00 0.00 H new ATOM 1679 N THR B 54 -8.554 10.438 1.935 1.00 0.00 N ATOM 1680 CA THR B 54 -9.031 11.567 2.718 1.00 0.00 C ATOM 1681 C THR B 54 -10.179 12.300 1.999 1.00 0.00 C ATOM 1682 O THR B 54 -11.181 12.622 2.628 1.00 0.00 O ATOM 1683 CB THR B 54 -7.834 12.504 2.991 1.00 0.00 C ATOM 1684 OG1 THR B 54 -6.730 11.781 3.503 1.00 0.00 O ATOM 1685 CG2 THR B 54 -8.183 13.603 4.000 1.00 0.00 C ATOM 0 H THR B 54 -7.672 10.637 1.463 1.00 0.00 H new ATOM 0 HA THR B 54 -9.440 11.217 3.666 1.00 0.00 H new ATOM 0 HB THR B 54 -7.581 12.958 2.033 1.00 0.00 H new ATOM 0 HG1 THR B 54 -6.279 11.310 2.771 1.00 0.00 H new ATOM 0 HG21 THR B 54 -7.312 14.238 4.162 1.00 0.00 H new ATOM 0 HG22 THR B 54 -9.005 14.205 3.612 1.00 0.00 H new ATOM 0 HG23 THR B 54 -8.481 13.148 4.945 1.00 0.00 H new ATOM 1693 N ASN B 55 -10.032 12.605 0.698 1.00 0.00 N ATOM 1694 CA ASN B 55 -10.947 13.489 -0.056 1.00 0.00 C ATOM 1695 C ASN B 55 -12.244 12.803 -0.479 1.00 0.00 C ATOM 1696 O ASN B 55 -13.198 13.484 -0.845 1.00 0.00 O ATOM 1697 CB ASN B 55 -10.257 14.040 -1.324 1.00 0.00 C ATOM 1698 CG ASN B 55 -9.244 15.140 -1.041 1.00 0.00 C ATOM 1699 OD1 ASN B 55 -9.026 16.035 -1.850 1.00 0.00 O ATOM 1700 ND2 ASN B 55 -8.588 15.075 0.106 1.00 0.00 N ATOM 0 H ASN B 55 -9.266 12.242 0.131 1.00 0.00 H new ATOM 0 HA ASN B 55 -11.199 14.296 0.631 1.00 0.00 H new ATOM 0 HB2 ASN B 55 -9.756 13.221 -1.839 1.00 0.00 H new ATOM 0 HB3 ASN B 55 -11.018 14.425 -2.003 1.00 0.00 H new ATOM 0 HD21 ASN B 55 -7.885 15.778 0.332 1.00 0.00 H new ATOM 0 HD22 ASN B 55 -8.786 14.321 0.764 1.00 0.00 H new ATOM 1707 N GLN B 56 -12.245 11.474 -0.418 1.00 0.00 N ATOM 1708 CA GLN B 56 -13.185 10.553 -1.049 1.00 0.00 C ATOM 1709 C GLN B 56 -13.017 10.621 -2.573 1.00 0.00 C ATOM 1710 O GLN B 56 -14.006 10.862 -3.292 1.00 0.00 O ATOM 1711 CB GLN B 56 -14.622 10.758 -0.538 1.00 0.00 C ATOM 1712 CG GLN B 56 -15.575 9.618 -0.949 1.00 0.00 C ATOM 1713 CD GLN B 56 -15.925 8.690 0.212 1.00 0.00 C ATOM 1714 OE1 GLN B 56 -15.051 8.057 0.804 1.00 0.00 O ATOM 1715 NE2 GLN B 56 -17.203 8.567 0.547 1.00 0.00 N ATOM 0 H GLN B 56 -11.533 10.975 0.115 1.00 0.00 H new ATOM 0 HA GLN B 56 -12.956 9.527 -0.759 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -14.607 10.838 0.549 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -15.007 11.703 -0.922 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -16.492 10.046 -1.355 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -15.114 9.036 -1.747 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -17.915 9.099 0.046 1.00 0.00 H new ATOM 0 HE22 GLN B 56 -17.473 7.941 1.305 1.00 0.00 H new TER 1724 GLN B 56 HETATM 1725 ZN ZN A 57 7.623 7.254 5.397 1.00 0.00 ZN HETATM 1726 ZN ZN B 57 -6.733 7.417 -5.566 1.00 0.00 ZN