USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 THR OG1 : rot -102:sc= 0.0701 USER MOD Set 1.2: A 72 HIS : no HD1:sc= -0.84 K(o=-0.77,f=-1.3) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.865 (180deg=-1.38) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.0112 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 160:sc= -0.199 USER MOD Single : A 7 LYS NZ :NH3+ -170:sc= 0.974 (180deg=0.825) USER MOD Single : A 16 SER OG : rot 180:sc= -0.0745 USER MOD Single : A 28 MET CE :methyl 159:sc= -0.177 (180deg=-0.693) USER MOD Single : A 37 LYS NZ :NH3+ -147:sc= 1.17 (180deg=0.996) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.55 K(o=-1.5,f=-0.13) USER MOD Single : A 54 CYS SG : rot -81:sc= -0.402 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 57 MET CE :methyl 177:sc= -0.836 (180deg=-0.907) USER MOD Single : A 60 THR OG1 : rot -79:sc= 1.24 USER MOD Single : A 61 MET CE :methyl 139:sc= -2.54 (180deg=-2.87!) USER MOD Single : A 64 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.79) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.689 -10.229 -4.416 1.00 0.00 N ATOM 2 CA MET A 1 -5.534 -9.033 -5.273 1.00 0.00 C ATOM 3 C MET A 1 -4.389 -8.174 -4.754 1.00 0.00 C ATOM 4 O MET A 1 -4.293 -7.923 -3.552 1.00 0.00 O ATOM 5 CB MET A 1 -6.838 -8.229 -5.290 1.00 0.00 C ATOM 6 CG MET A 1 -6.848 -7.077 -6.281 1.00 0.00 C ATOM 7 SD MET A 1 -8.442 -6.229 -6.329 1.00 0.00 S ATOM 8 CE MET A 1 -8.166 -5.065 -7.662 1.00 0.00 C ATOM 0 H1 MET A 1 -6.699 -10.457 -4.317 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.194 -11.034 -4.850 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.284 -10.038 -3.477 1.00 0.00 H new ATOM 0 HA MET A 1 -5.306 -9.347 -6.291 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.663 -8.902 -5.524 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.022 -7.835 -4.290 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.068 -6.364 -6.014 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.609 -7.454 -7.276 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.941 -4.299 -7.643 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.190 -4.596 -7.539 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.199 -5.590 -8.616 1.00 0.00 H new ATOM 20 N LYS A 2 -3.511 -7.746 -5.650 1.00 0.00 N ATOM 21 CA LYS A 2 -2.376 -6.922 -5.265 1.00 0.00 C ATOM 22 C LYS A 2 -2.808 -5.495 -4.997 1.00 0.00 C ATOM 23 O LYS A 2 -3.792 -5.014 -5.560 1.00 0.00 O ATOM 24 CB LYS A 2 -1.308 -6.906 -6.359 1.00 0.00 C ATOM 25 CG LYS A 2 -0.291 -8.035 -6.282 1.00 0.00 C ATOM 26 CD LYS A 2 -0.922 -9.399 -6.490 1.00 0.00 C ATOM 27 CE LYS A 2 0.147 -10.471 -6.654 1.00 0.00 C ATOM 28 NZ LYS A 2 -0.422 -11.787 -7.053 1.00 0.00 N ATOM 0 H LYS A 2 -3.563 -7.956 -6.647 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.961 -7.358 -4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.803 -6.949 -7.329 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.777 -5.955 -6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.481 -7.877 -7.035 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.202 -8.010 -5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.560 -9.643 -5.641 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.561 -9.378 -7.373 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.869 -10.148 -7.405 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.691 -10.583 -5.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.346 -12.482 -7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.091 -12.111 -6.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.919 -11.689 -7.961 1.00 0.00 H new ATOM 42 N LEU A 3 -2.056 -4.821 -4.147 1.00 0.00 N ATOM 43 CA LEU A 3 -2.258 -3.404 -3.906 1.00 0.00 C ATOM 44 C LEU A 3 -1.944 -2.622 -5.182 1.00 0.00 C ATOM 45 O LEU A 3 -2.528 -1.573 -5.449 1.00 0.00 O ATOM 46 CB LEU A 3 -1.366 -2.946 -2.746 1.00 0.00 C ATOM 47 CG LEU A 3 -1.494 -1.477 -2.347 1.00 0.00 C ATOM 48 CD1 LEU A 3 -2.942 -1.120 -2.042 1.00 0.00 C ATOM 49 CD2 LEU A 3 -0.614 -1.190 -1.147 1.00 0.00 C ATOM 0 H LEU A 3 -1.295 -5.235 -3.609 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.297 -3.218 -3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.592 -3.560 -1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.327 -3.141 -3.013 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.166 -0.861 -3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.006 -0.069 -1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.554 -1.297 -2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.304 -1.738 -1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.710 -0.141 -0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.923 -1.818 -0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.425 -1.405 -1.398 1.00 0.00 H new ATOM 61 N SER A 4 -1.032 -3.169 -5.979 1.00 0.00 N ATOM 62 CA SER A 4 -0.666 -2.578 -7.260 1.00 0.00 C ATOM 63 C SER A 4 -1.710 -2.881 -8.341 1.00 0.00 C ATOM 64 O SER A 4 -1.639 -2.345 -9.446 1.00 0.00 O ATOM 65 CB SER A 4 0.707 -3.093 -7.694 1.00 0.00 C ATOM 66 OG SER A 4 0.777 -4.506 -7.590 1.00 0.00 O ATOM 0 H SER A 4 -0.529 -4.028 -5.757 1.00 0.00 H new ATOM 0 HA SER A 4 -0.627 -1.496 -7.133 1.00 0.00 H new ATOM 0 HB2 SER A 4 0.904 -2.790 -8.722 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.481 -2.641 -7.075 1.00 0.00 H new ATOM 0 HG SER A 4 1.507 -4.840 -8.153 1.00 0.00 H new ATOM 72 N GLU A 5 -2.674 -3.745 -8.025 1.00 0.00 N ATOM 73 CA GLU A 5 -3.713 -4.102 -8.987 1.00 0.00 C ATOM 74 C GLU A 5 -4.930 -3.203 -8.839 1.00 0.00 C ATOM 75 O GLU A 5 -5.854 -3.253 -9.654 1.00 0.00 O ATOM 76 CB GLU A 5 -4.133 -5.560 -8.839 1.00 0.00 C ATOM 77 CG GLU A 5 -3.066 -6.547 -9.271 1.00 0.00 C ATOM 78 CD GLU A 5 -3.590 -7.964 -9.327 1.00 0.00 C ATOM 79 OE1 GLU A 5 -3.659 -8.619 -8.265 1.00 0.00 O ATOM 80 OE2 GLU A 5 -3.946 -8.424 -10.430 1.00 0.00 O ATOM 0 H GLU A 5 -2.756 -4.206 -7.119 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.288 -3.962 -9.981 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.392 -5.751 -7.798 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.034 -5.731 -9.428 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.686 -6.263 -10.252 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.226 -6.499 -8.578 1.00 0.00 H new ATOM 87 N LEU A 6 -4.937 -2.397 -7.790 1.00 0.00 N ATOM 88 CA LEU A 6 -6.016 -1.440 -7.577 1.00 0.00 C ATOM 89 C LEU A 6 -5.959 -0.336 -8.630 1.00 0.00 C ATOM 90 O LEU A 6 -4.946 -0.172 -9.307 1.00 0.00 O ATOM 91 CB LEU A 6 -5.949 -0.859 -6.163 1.00 0.00 C ATOM 92 CG LEU A 6 -6.292 -1.860 -5.056 1.00 0.00 C ATOM 93 CD1 LEU A 6 -6.173 -1.223 -3.682 1.00 0.00 C ATOM 94 CD2 LEU A 6 -7.693 -2.409 -5.261 1.00 0.00 C ATOM 0 H LEU A 6 -4.211 -2.384 -7.073 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.969 -1.958 -7.679 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.945 -0.472 -5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.633 -0.013 -6.097 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.577 -2.681 -5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.423 -1.958 -2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.152 -0.874 -3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.859 -0.379 -3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.925 -3.120 -4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.412 -1.590 -5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.749 -2.912 -6.226 1.00 0.00 H new ATOM 106 N LYS A 7 -7.043 0.415 -8.780 1.00 0.00 N ATOM 107 CA LYS A 7 -7.156 1.350 -9.891 1.00 0.00 C ATOM 108 C LYS A 7 -7.583 2.749 -9.448 1.00 0.00 C ATOM 109 O LYS A 7 -8.251 3.467 -10.201 1.00 0.00 O ATOM 110 CB LYS A 7 -8.117 0.783 -10.945 1.00 0.00 C ATOM 111 CG LYS A 7 -9.394 0.187 -10.370 1.00 0.00 C ATOM 112 CD LYS A 7 -10.556 1.168 -10.418 1.00 0.00 C ATOM 113 CE LYS A 7 -11.890 0.470 -10.184 1.00 0.00 C ATOM 114 NZ LYS A 7 -11.917 -0.273 -8.900 1.00 0.00 N ATOM 0 H LYS A 7 -7.848 0.396 -8.154 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.165 1.465 -10.329 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.382 1.577 -11.643 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.597 0.015 -11.518 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.656 -0.713 -10.927 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.219 -0.117 -9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.412 1.941 -9.663 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.571 1.668 -11.387 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.691 1.209 -10.191 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.086 -0.220 -11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.770 -0.866 -8.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.073 -0.876 -8.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.927 0.402 -8.109 1.00 0.00 H new ATOM 128 N ALA A 8 -7.152 3.135 -8.245 1.00 0.00 N ATOM 129 CA ALA A 8 -7.388 4.475 -7.696 1.00 0.00 C ATOM 130 C ALA A 8 -8.860 4.712 -7.371 1.00 0.00 C ATOM 131 O ALA A 8 -9.752 4.386 -8.155 1.00 0.00 O ATOM 132 CB ALA A 8 -6.859 5.551 -8.637 1.00 0.00 C ATOM 0 H ALA A 8 -6.626 2.524 -7.620 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.837 4.538 -6.757 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.046 6.535 -8.207 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.787 5.415 -8.779 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.365 5.474 -9.599 1.00 0.00 H new ATOM 138 N GLY A 9 -9.104 5.289 -6.203 1.00 0.00 N ATOM 139 CA GLY A 9 -10.461 5.475 -5.735 1.00 0.00 C ATOM 140 C GLY A 9 -10.966 4.234 -5.037 1.00 0.00 C ATOM 141 O GLY A 9 -12.140 4.134 -4.676 1.00 0.00 O ATOM 0 H GLY A 9 -8.382 5.633 -5.569 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.501 6.323 -5.052 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.111 5.713 -6.577 1.00 0.00 H new ATOM 145 N ASP A 10 -10.058 3.287 -4.848 1.00 0.00 N ATOM 146 CA ASP A 10 -10.389 2.001 -4.259 1.00 0.00 C ATOM 147 C ASP A 10 -9.954 1.958 -2.810 1.00 0.00 C ATOM 148 O ASP A 10 -8.832 2.346 -2.472 1.00 0.00 O ATOM 149 CB ASP A 10 -9.712 0.864 -5.032 1.00 0.00 C ATOM 150 CG ASP A 10 -10.113 0.835 -6.485 1.00 0.00 C ATOM 151 OD1 ASP A 10 -11.300 1.075 -6.781 1.00 0.00 O ATOM 152 OD2 ASP A 10 -9.249 0.553 -7.333 1.00 0.00 O ATOM 0 H ASP A 10 -9.075 3.390 -5.098 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.470 1.871 -4.313 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.630 0.973 -4.959 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.968 -0.089 -4.569 1.00 0.00 H new ATOM 157 N ARG A 11 -10.848 1.504 -1.954 1.00 0.00 N ATOM 158 CA ARG A 11 -10.546 1.358 -0.546 1.00 0.00 C ATOM 159 C ARG A 11 -10.411 -0.118 -0.219 1.00 0.00 C ATOM 160 O ARG A 11 -11.336 -0.899 -0.444 1.00 0.00 O ATOM 161 CB ARG A 11 -11.642 2.011 0.296 1.00 0.00 C ATOM 162 CG ARG A 11 -11.882 3.462 -0.082 1.00 0.00 C ATOM 163 CD ARG A 11 -12.970 4.108 0.755 1.00 0.00 C ATOM 164 NE ARG A 11 -13.222 5.481 0.321 1.00 0.00 N ATOM 165 CZ ARG A 11 -12.916 6.561 1.040 1.00 0.00 C ATOM 166 NH1 ARG A 11 -12.420 6.438 2.264 1.00 0.00 N ATOM 167 NH2 ARG A 11 -13.108 7.770 0.531 1.00 0.00 N ATOM 0 H ARG A 11 -11.795 1.228 -2.213 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.605 1.858 -0.314 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.569 1.450 0.177 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.368 1.954 1.350 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.955 4.023 0.037 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.156 3.519 -1.135 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.887 3.525 0.678 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.677 4.103 1.805 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.660 5.622 -0.590 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.270 5.511 2.663 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.189 7.270 2.807 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.489 7.873 -0.409 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.874 8.597 1.080 1.00 0.00 H new ATOM 181 N ALA A 12 -9.254 -0.502 0.289 1.00 0.00 N ATOM 182 CA ALA A 12 -8.961 -1.903 0.537 1.00 0.00 C ATOM 183 C ALA A 12 -8.344 -2.092 1.912 1.00 0.00 C ATOM 184 O ALA A 12 -7.929 -1.129 2.556 1.00 0.00 O ATOM 185 CB ALA A 12 -8.021 -2.446 -0.534 1.00 0.00 C ATOM 0 H ALA A 12 -8.500 0.138 0.539 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.899 -2.456 0.500 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.811 -3.497 -0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.490 -2.349 -1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.089 -1.881 -0.521 1.00 0.00 H new ATOM 191 N GLU A 13 -8.298 -3.334 2.355 1.00 0.00 N ATOM 192 CA GLU A 13 -7.663 -3.676 3.615 1.00 0.00 C ATOM 193 C GLU A 13 -6.451 -4.561 3.354 1.00 0.00 C ATOM 194 O GLU A 13 -6.529 -5.521 2.582 1.00 0.00 O ATOM 195 CB GLU A 13 -8.658 -4.385 4.536 1.00 0.00 C ATOM 196 CG GLU A 13 -8.060 -4.826 5.859 1.00 0.00 C ATOM 197 CD GLU A 13 -9.100 -5.384 6.804 1.00 0.00 C ATOM 198 OE1 GLU A 13 -9.442 -6.581 6.690 1.00 0.00 O ATOM 199 OE2 GLU A 13 -9.584 -4.623 7.665 1.00 0.00 O ATOM 0 H GLU A 13 -8.696 -4.130 1.856 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.333 -2.762 4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.497 -3.717 4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.058 -5.258 4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.297 -5.582 5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.562 -3.978 6.330 1.00 0.00 H new ATOM 206 N VAL A 14 -5.332 -4.222 3.979 1.00 0.00 N ATOM 207 CA VAL A 14 -4.107 -4.984 3.805 1.00 0.00 C ATOM 208 C VAL A 14 -4.178 -6.301 4.563 1.00 0.00 C ATOM 209 O VAL A 14 -4.278 -6.322 5.794 1.00 0.00 O ATOM 210 CB VAL A 14 -2.871 -4.192 4.274 1.00 0.00 C ATOM 211 CG1 VAL A 14 -1.610 -5.028 4.128 1.00 0.00 C ATOM 212 CG2 VAL A 14 -2.747 -2.900 3.488 1.00 0.00 C ATOM 0 H VAL A 14 -5.249 -3.425 4.610 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.006 -5.184 2.738 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.997 -3.948 5.329 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.749 -4.450 4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.700 -5.931 4.732 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.475 -5.304 3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.870 -2.350 3.829 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.643 -3.128 2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.639 -2.293 3.643 1.00 0.00 H new ATOM 222 N THR A 15 -4.133 -7.393 3.820 1.00 0.00 N ATOM 223 CA THR A 15 -4.203 -8.718 4.406 1.00 0.00 C ATOM 224 C THR A 15 -2.808 -9.262 4.711 1.00 0.00 C ATOM 225 O THR A 15 -2.604 -9.957 5.709 1.00 0.00 O ATOM 226 CB THR A 15 -4.942 -9.680 3.462 1.00 0.00 C ATOM 227 OG1 THR A 15 -5.327 -8.983 2.267 1.00 0.00 O ATOM 228 CG2 THR A 15 -6.178 -10.244 4.133 1.00 0.00 C ATOM 0 H THR A 15 -4.048 -7.386 2.804 1.00 0.00 H new ATOM 0 HA THR A 15 -4.753 -8.640 5.344 1.00 0.00 H new ATOM 0 HB THR A 15 -4.271 -10.502 3.212 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.281 -8.764 2.309 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.686 -10.922 3.448 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.888 -10.787 5.033 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.850 -9.429 4.402 1.00 0.00 H new ATOM 236 N SER A 16 -1.850 -8.930 3.854 1.00 0.00 N ATOM 237 CA SER A 16 -0.474 -9.372 4.035 1.00 0.00 C ATOM 238 C SER A 16 0.484 -8.504 3.225 1.00 0.00 C ATOM 239 O SER A 16 0.166 -8.080 2.112 1.00 0.00 O ATOM 240 CB SER A 16 -0.335 -10.842 3.623 1.00 0.00 C ATOM 241 OG SER A 16 -0.880 -11.064 2.330 1.00 0.00 O ATOM 0 H SER A 16 -2.002 -8.355 3.025 1.00 0.00 H new ATOM 0 HA SER A 16 -0.216 -9.273 5.089 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.717 -11.127 3.632 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.843 -11.476 4.349 1.00 0.00 H new ATOM 0 HG SER A 16 -0.778 -12.009 2.090 1.00 0.00 H new ATOM 247 N VAL A 17 1.648 -8.225 3.795 1.00 0.00 N ATOM 248 CA VAL A 17 2.656 -7.418 3.123 1.00 0.00 C ATOM 249 C VAL A 17 3.889 -8.255 2.818 1.00 0.00 C ATOM 250 O VAL A 17 4.629 -8.635 3.729 1.00 0.00 O ATOM 251 CB VAL A 17 3.078 -6.203 3.979 1.00 0.00 C ATOM 252 CG1 VAL A 17 4.064 -5.326 3.224 1.00 0.00 C ATOM 253 CG2 VAL A 17 1.866 -5.395 4.410 1.00 0.00 C ATOM 0 H VAL A 17 1.918 -8.547 4.724 1.00 0.00 H new ATOM 0 HA VAL A 17 2.211 -7.056 2.196 1.00 0.00 H new ATOM 0 HB VAL A 17 3.572 -6.580 4.875 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.347 -4.477 3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.953 -5.907 2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.601 -4.964 2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.190 -4.546 5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.337 -5.034 3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.200 -6.024 5.001 1.00 0.00 H new ATOM 263 N ALA A 18 4.105 -8.546 1.543 1.00 0.00 N ATOM 264 CA ALA A 18 5.269 -9.313 1.127 1.00 0.00 C ATOM 265 C ALA A 18 6.373 -8.382 0.650 1.00 0.00 C ATOM 266 O ALA A 18 6.305 -7.827 -0.447 1.00 0.00 O ATOM 267 CB ALA A 18 4.896 -10.317 0.043 1.00 0.00 C ATOM 0 H ALA A 18 3.490 -8.263 0.780 1.00 0.00 H new ATOM 0 HA ALA A 18 5.640 -9.872 1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.782 -10.879 -0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.142 -11.004 0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.497 -9.787 -0.822 1.00 0.00 H new ATOM 273 N ALA A 19 7.376 -8.197 1.495 1.00 0.00 N ATOM 274 CA ALA A 19 8.481 -7.301 1.196 1.00 0.00 C ATOM 275 C ALA A 19 9.658 -7.595 2.109 1.00 0.00 C ATOM 276 O ALA A 19 9.586 -8.492 2.951 1.00 0.00 O ATOM 277 CB ALA A 19 8.056 -5.845 1.351 1.00 0.00 C ATOM 0 H ALA A 19 7.446 -8.660 2.401 1.00 0.00 H new ATOM 0 HA ALA A 19 8.781 -7.466 0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.899 -5.193 1.122 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.235 -5.631 0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.729 -5.669 2.376 1.00 0.00 H new ATOM 283 N GLU A 20 10.739 -6.844 1.931 1.00 0.00 N ATOM 284 CA GLU A 20 11.899 -6.950 2.805 1.00 0.00 C ATOM 285 C GLU A 20 11.492 -6.612 4.236 1.00 0.00 C ATOM 286 O GLU A 20 10.650 -5.740 4.444 1.00 0.00 O ATOM 287 CB GLU A 20 12.999 -5.988 2.342 1.00 0.00 C ATOM 288 CG GLU A 20 13.327 -6.089 0.860 1.00 0.00 C ATOM 289 CD GLU A 20 13.803 -7.465 0.455 1.00 0.00 C ATOM 290 OE1 GLU A 20 14.919 -7.854 0.858 1.00 0.00 O ATOM 291 OE2 GLU A 20 13.065 -8.166 -0.265 1.00 0.00 O ATOM 0 H GLU A 20 10.835 -6.153 1.187 1.00 0.00 H new ATOM 0 HA GLU A 20 12.281 -7.970 2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.692 -4.967 2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 20 13.904 -6.183 2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.442 -5.831 0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.096 -5.357 0.613 1.00 0.00 H new ATOM 298 N PRO A 21 12.080 -7.285 5.236 1.00 0.00 N ATOM 299 CA PRO A 21 11.742 -7.070 6.647 1.00 0.00 C ATOM 300 C PRO A 21 11.847 -5.600 7.056 1.00 0.00 C ATOM 301 O PRO A 21 10.949 -5.059 7.705 1.00 0.00 O ATOM 302 CB PRO A 21 12.763 -7.922 7.414 1.00 0.00 C ATOM 303 CG PRO A 21 13.797 -8.316 6.412 1.00 0.00 C ATOM 304 CD PRO A 21 13.111 -8.318 5.076 1.00 0.00 C ATOM 0 HA PRO A 21 10.709 -7.348 6.856 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.207 -7.357 8.233 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.289 -8.800 7.853 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.632 -7.615 6.419 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.205 -9.301 6.641 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.801 -8.078 4.267 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.676 -9.291 4.846 1.00 0.00 H new ATOM 312 N ALA A 22 12.932 -4.949 6.642 1.00 0.00 N ATOM 313 CA ALA A 22 13.143 -3.540 6.950 1.00 0.00 C ATOM 314 C ALA A 22 12.068 -2.671 6.305 1.00 0.00 C ATOM 315 O ALA A 22 11.592 -1.708 6.906 1.00 0.00 O ATOM 316 CB ALA A 22 14.521 -3.099 6.486 1.00 0.00 C ATOM 0 H ALA A 22 13.678 -5.376 6.093 1.00 0.00 H new ATOM 0 HA ALA A 22 13.077 -3.417 8.031 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.664 -2.045 6.723 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.283 -3.692 6.993 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.606 -3.244 5.409 1.00 0.00 H new ATOM 322 N VAL A 23 11.686 -3.030 5.086 1.00 0.00 N ATOM 323 CA VAL A 23 10.675 -2.292 4.343 1.00 0.00 C ATOM 324 C VAL A 23 9.294 -2.540 4.938 1.00 0.00 C ATOM 325 O VAL A 23 8.506 -1.614 5.120 1.00 0.00 O ATOM 326 CB VAL A 23 10.680 -2.701 2.856 1.00 0.00 C ATOM 327 CG1 VAL A 23 9.520 -2.066 2.111 1.00 0.00 C ATOM 328 CG2 VAL A 23 12.001 -2.323 2.203 1.00 0.00 C ATOM 0 H VAL A 23 12.066 -3.835 4.588 1.00 0.00 H new ATOM 0 HA VAL A 23 10.912 -1.230 4.415 1.00 0.00 H new ATOM 0 HB VAL A 23 10.563 -3.783 2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.548 -2.372 1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.580 -2.389 2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.598 -0.981 2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 23 11.986 -2.619 1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.146 -1.245 2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.818 -2.834 2.713 1.00 0.00 H new ATOM 338 N ARG A 24 9.028 -3.797 5.258 1.00 0.00 N ATOM 339 CA ARG A 24 7.766 -4.200 5.861 1.00 0.00 C ATOM 340 C ARG A 24 7.518 -3.420 7.148 1.00 0.00 C ATOM 341 O ARG A 24 6.451 -2.836 7.338 1.00 0.00 O ATOM 342 CB ARG A 24 7.790 -5.702 6.150 1.00 0.00 C ATOM 343 CG ARG A 24 6.512 -6.240 6.774 1.00 0.00 C ATOM 344 CD ARG A 24 6.714 -7.649 7.313 1.00 0.00 C ATOM 345 NE ARG A 24 7.145 -8.592 6.278 1.00 0.00 N ATOM 346 CZ ARG A 24 8.168 -9.439 6.422 1.00 0.00 C ATOM 347 NH1 ARG A 24 8.930 -9.394 7.508 1.00 0.00 N ATOM 348 NH2 ARG A 24 8.455 -10.307 5.468 1.00 0.00 N ATOM 0 H ARG A 24 9.680 -4.567 5.107 1.00 0.00 H new ATOM 0 HA ARG A 24 6.956 -3.982 5.165 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.979 -6.236 5.219 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.625 -5.919 6.816 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.193 -5.581 7.582 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.714 -6.243 6.031 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.457 -7.626 8.110 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.782 -8.002 7.755 1.00 0.00 H new ATOM 0 HE ARG A 24 6.634 -8.602 5.395 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.736 -8.710 8.239 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.709 -10.044 7.611 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.894 -10.333 4.616 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.237 -10.951 5.583 1.00 0.00 H new ATOM 362 N ARG A 25 8.523 -3.399 8.017 1.00 0.00 N ATOM 363 CA ARG A 25 8.429 -2.682 9.280 1.00 0.00 C ATOM 364 C ARG A 25 8.343 -1.178 9.035 1.00 0.00 C ATOM 365 O ARG A 25 7.634 -0.466 9.742 1.00 0.00 O ATOM 366 CB ARG A 25 9.628 -3.021 10.167 1.00 0.00 C ATOM 367 CG ARG A 25 9.595 -2.356 11.534 1.00 0.00 C ATOM 368 CD ARG A 25 10.754 -2.821 12.398 1.00 0.00 C ATOM 369 NE ARG A 25 12.045 -2.558 11.767 1.00 0.00 N ATOM 370 CZ ARG A 25 13.111 -3.348 11.888 1.00 0.00 C ATOM 371 NH1 ARG A 25 13.044 -4.472 12.595 1.00 0.00 N ATOM 372 NH2 ARG A 25 14.244 -3.012 11.288 1.00 0.00 N ATOM 0 H ARG A 25 9.414 -3.872 7.867 1.00 0.00 H new ATOM 0 HA ARG A 25 7.520 -2.993 9.795 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.673 -4.102 10.301 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.542 -2.725 9.653 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.637 -1.273 11.416 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.652 -2.586 12.031 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.712 -2.316 13.363 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.656 -3.889 12.592 1.00 0.00 H new ATOM 0 HE ARG A 25 12.136 -1.716 11.198 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.171 -4.736 13.051 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.866 -5.070 12.681 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.295 -2.154 10.739 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.065 -3.611 11.376 1.00 0.00 H new ATOM 386 N ARG A 26 9.050 -0.704 8.016 1.00 0.00 N ATOM 387 CA ARG A 26 9.007 0.700 7.637 1.00 0.00 C ATOM 388 C ARG A 26 7.586 1.110 7.270 1.00 0.00 C ATOM 389 O ARG A 26 7.116 2.181 7.659 1.00 0.00 O ATOM 390 CB ARG A 26 9.958 0.953 6.467 1.00 0.00 C ATOM 391 CG ARG A 26 9.788 2.310 5.811 1.00 0.00 C ATOM 392 CD ARG A 26 10.814 2.519 4.712 1.00 0.00 C ATOM 393 NE ARG A 26 10.528 3.699 3.900 1.00 0.00 N ATOM 394 CZ ARG A 26 11.384 4.702 3.716 1.00 0.00 C ATOM 395 NH1 ARG A 26 12.520 4.746 4.397 1.00 0.00 N ATOM 396 NH2 ARG A 26 11.087 5.681 2.869 1.00 0.00 N ATOM 0 H ARG A 26 9.663 -1.277 7.435 1.00 0.00 H new ATOM 0 HA ARG A 26 9.327 1.304 8.486 1.00 0.00 H new ATOM 0 HB2 ARG A 26 10.985 0.859 6.821 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.807 0.177 5.716 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.784 2.393 5.396 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.889 3.095 6.561 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.804 2.619 5.157 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.840 1.638 4.071 1.00 0.00 H new ATOM 0 HE ARG A 26 9.617 3.758 3.446 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.742 4.009 5.066 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.172 5.517 4.252 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.203 5.664 2.360 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.743 6.450 2.728 1.00 0.00 H new ATOM 410 N LEU A 27 6.902 0.251 6.526 1.00 0.00 N ATOM 411 CA LEU A 27 5.518 0.496 6.156 1.00 0.00 C ATOM 412 C LEU A 27 4.625 0.454 7.391 1.00 0.00 C ATOM 413 O LEU A 27 3.705 1.261 7.529 1.00 0.00 O ATOM 414 CB LEU A 27 5.045 -0.531 5.123 1.00 0.00 C ATOM 415 CG LEU A 27 5.810 -0.519 3.796 1.00 0.00 C ATOM 416 CD1 LEU A 27 5.285 -1.598 2.863 1.00 0.00 C ATOM 417 CD2 LEU A 27 5.717 0.848 3.135 1.00 0.00 C ATOM 0 H LEU A 27 7.286 -0.623 6.167 1.00 0.00 H new ATOM 0 HA LEU A 27 5.452 1.488 5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.124 -1.526 5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.989 -0.356 4.917 1.00 0.00 H new ATOM 0 HG LEU A 27 6.859 -0.728 4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.842 -1.572 1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.407 -2.575 3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.228 -1.422 2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.267 0.835 2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.672 1.088 2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.146 1.602 3.796 1.00 0.00 H new ATOM 429 N MET A 28 4.923 -0.470 8.299 1.00 0.00 N ATOM 430 CA MET A 28 4.151 -0.615 9.530 1.00 0.00 C ATOM 431 C MET A 28 4.282 0.636 10.390 1.00 0.00 C ATOM 432 O MET A 28 3.310 1.094 10.990 1.00 0.00 O ATOM 433 CB MET A 28 4.613 -1.846 10.317 1.00 0.00 C ATOM 434 CG MET A 28 4.292 -3.169 9.636 1.00 0.00 C ATOM 435 SD MET A 28 4.861 -4.601 10.579 1.00 0.00 S ATOM 436 CE MET A 28 3.958 -4.387 12.114 1.00 0.00 C ATOM 0 H MET A 28 5.694 -1.131 8.206 1.00 0.00 H new ATOM 0 HA MET A 28 3.103 -0.749 9.261 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.690 -1.781 10.475 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.145 -1.832 11.301 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.215 -3.243 9.487 1.00 0.00 H new ATOM 0 HG3 MET A 28 4.752 -3.185 8.648 1.00 0.00 H new ATOM 0 HE1 MET A 28 3.900 -5.341 12.638 1.00 0.00 H new ATOM 0 HE2 MET A 28 4.473 -3.659 12.741 1.00 0.00 H new ATOM 0 HE3 MET A 28 2.951 -4.031 11.897 1.00 0.00 H new ATOM 446 N ASP A 29 5.488 1.185 10.436 1.00 0.00 N ATOM 447 CA ASP A 29 5.751 2.419 11.167 1.00 0.00 C ATOM 448 C ASP A 29 4.995 3.593 10.561 1.00 0.00 C ATOM 449 O ASP A 29 4.585 4.511 11.272 1.00 0.00 O ATOM 450 CB ASP A 29 7.247 2.723 11.178 1.00 0.00 C ATOM 451 CG ASP A 29 7.967 2.104 12.356 1.00 0.00 C ATOM 452 OD1 ASP A 29 8.247 0.888 12.322 1.00 0.00 O ATOM 453 OD2 ASP A 29 8.272 2.833 13.322 1.00 0.00 O ATOM 0 H ASP A 29 6.307 0.792 9.972 1.00 0.00 H new ATOM 0 HA ASP A 29 5.404 2.277 12.190 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.693 2.357 10.253 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.393 3.803 11.197 1.00 0.00 H new ATOM 458 N LEU A 30 4.823 3.570 9.246 1.00 0.00 N ATOM 459 CA LEU A 30 4.071 4.611 8.558 1.00 0.00 C ATOM 460 C LEU A 30 2.583 4.478 8.854 1.00 0.00 C ATOM 461 O LEU A 30 1.896 5.470 9.094 1.00 0.00 O ATOM 462 CB LEU A 30 4.305 4.542 7.047 1.00 0.00 C ATOM 463 CG LEU A 30 5.733 4.844 6.590 1.00 0.00 C ATOM 464 CD1 LEU A 30 5.866 4.647 5.090 1.00 0.00 C ATOM 465 CD2 LEU A 30 6.128 6.262 6.971 1.00 0.00 C ATOM 0 H LEU A 30 5.194 2.842 8.635 1.00 0.00 H new ATOM 0 HA LEU A 30 4.422 5.576 8.923 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.034 3.545 6.700 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.629 5.245 6.559 1.00 0.00 H new ATOM 0 HG LEU A 30 6.406 4.149 7.093 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.889 4.867 4.783 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.625 3.615 4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.180 5.318 4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.147 6.458 6.637 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.448 6.969 6.496 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.072 6.377 8.053 1.00 0.00 H new ATOM 477 N GLY A 31 2.093 3.247 8.835 1.00 0.00 N ATOM 478 CA GLY A 31 0.689 3.004 9.100 1.00 0.00 C ATOM 479 C GLY A 31 0.130 1.871 8.267 1.00 0.00 C ATOM 480 O GLY A 31 -1.073 1.601 8.297 1.00 0.00 O ATOM 0 H GLY A 31 2.643 2.411 8.641 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.557 2.773 10.157 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.122 3.913 8.899 1.00 0.00 H new ATOM 484 N LEU A 32 0.999 1.207 7.519 1.00 0.00 N ATOM 485 CA LEU A 32 0.590 0.114 6.654 1.00 0.00 C ATOM 486 C LEU A 32 0.842 -1.216 7.358 1.00 0.00 C ATOM 487 O LEU A 32 1.959 -1.736 7.358 1.00 0.00 O ATOM 488 CB LEU A 32 1.354 0.189 5.322 1.00 0.00 C ATOM 489 CG LEU A 32 0.681 -0.485 4.119 1.00 0.00 C ATOM 490 CD1 LEU A 32 1.340 -0.033 2.826 1.00 0.00 C ATOM 491 CD2 LEU A 32 0.745 -2.001 4.233 1.00 0.00 C ATOM 0 H LEU A 32 1.998 1.409 7.495 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.476 0.194 6.439 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.518 1.239 5.079 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.336 -0.263 5.464 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.367 -0.187 4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.853 -0.519 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.245 1.048 2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.396 -0.304 2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.260 -2.452 3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.787 -2.319 4.272 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.234 -2.319 5.141 1.00 0.00 H new ATOM 503 N VAL A 33 -0.195 -1.741 7.990 1.00 0.00 N ATOM 504 CA VAL A 33 -0.104 -3.000 8.718 1.00 0.00 C ATOM 505 C VAL A 33 -1.219 -3.940 8.285 1.00 0.00 C ATOM 506 O VAL A 33 -2.112 -3.548 7.533 1.00 0.00 O ATOM 507 CB VAL A 33 -0.202 -2.787 10.249 1.00 0.00 C ATOM 508 CG1 VAL A 33 0.951 -1.934 10.757 1.00 0.00 C ATOM 509 CG2 VAL A 33 -1.538 -2.158 10.623 1.00 0.00 C ATOM 0 H VAL A 33 -1.120 -1.311 8.014 1.00 0.00 H new ATOM 0 HA VAL A 33 0.869 -3.434 8.487 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.137 -3.764 10.727 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.857 -1.800 11.835 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.896 -2.429 10.534 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.927 -0.961 10.267 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.584 -2.018 11.703 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.637 -1.192 10.127 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.350 -2.813 10.307 1.00 0.00 H new ATOM 519 N ARG A 34 -1.173 -5.174 8.755 1.00 0.00 N ATOM 520 CA ARG A 34 -2.248 -6.119 8.503 1.00 0.00 C ATOM 521 C ARG A 34 -3.503 -5.674 9.246 1.00 0.00 C ATOM 522 O ARG A 34 -3.508 -5.573 10.475 1.00 0.00 O ATOM 523 CB ARG A 34 -1.840 -7.526 8.937 1.00 0.00 C ATOM 524 CG ARG A 34 -2.928 -8.568 8.738 1.00 0.00 C ATOM 525 CD ARG A 34 -2.442 -9.954 9.131 1.00 0.00 C ATOM 526 NE ARG A 34 -1.994 -10.008 10.521 1.00 0.00 N ATOM 527 CZ ARG A 34 -0.825 -10.521 10.906 1.00 0.00 C ATOM 528 NH1 ARG A 34 0.034 -10.982 10.005 1.00 0.00 N ATOM 529 NH2 ARG A 34 -0.514 -10.566 12.195 1.00 0.00 N ATOM 0 H ARG A 34 -0.404 -5.545 9.313 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.456 -6.143 7.433 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.955 -7.827 8.377 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.559 -7.504 9.990 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.801 -8.304 9.334 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.244 -8.573 7.695 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.246 -10.675 8.982 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.623 -10.250 8.475 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.612 -9.631 11.239 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.199 -10.945 9.013 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.927 -11.373 10.305 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.169 -10.208 12.890 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.380 -10.958 12.491 1.00 0.00 H new ATOM 543 N GLY A 35 -4.553 -5.389 8.494 1.00 0.00 N ATOM 544 CA GLY A 35 -5.769 -4.879 9.091 1.00 0.00 C ATOM 545 C GLY A 35 -5.917 -3.387 8.876 1.00 0.00 C ATOM 546 O GLY A 35 -6.916 -2.790 9.280 1.00 0.00 O ATOM 0 H GLY A 35 -4.586 -5.501 7.481 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.628 -5.395 8.663 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.768 -5.094 10.160 1.00 0.00 H new ATOM 550 N ALA A 36 -4.907 -2.780 8.264 1.00 0.00 N ATOM 551 CA ALA A 36 -4.965 -1.370 7.911 1.00 0.00 C ATOM 552 C ALA A 36 -5.838 -1.170 6.684 1.00 0.00 C ATOM 553 O ALA A 36 -5.740 -1.921 5.709 1.00 0.00 O ATOM 554 CB ALA A 36 -3.573 -0.815 7.663 1.00 0.00 C ATOM 0 H ALA A 36 -4.037 -3.245 8.002 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.404 -0.827 8.748 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.644 0.241 7.401 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.971 -0.925 8.565 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.104 -1.361 6.845 1.00 0.00 H new ATOM 560 N LYS A 37 -6.696 -0.168 6.739 1.00 0.00 N ATOM 561 CA LYS A 37 -7.584 0.141 5.634 1.00 0.00 C ATOM 562 C LYS A 37 -7.084 1.393 4.924 1.00 0.00 C ATOM 563 O LYS A 37 -6.867 2.428 5.559 1.00 0.00 O ATOM 564 CB LYS A 37 -9.008 0.344 6.154 1.00 0.00 C ATOM 565 CG LYS A 37 -9.492 -0.797 7.038 1.00 0.00 C ATOM 566 CD LYS A 37 -10.830 -0.475 7.687 1.00 0.00 C ATOM 567 CE LYS A 37 -11.202 -1.493 8.755 1.00 0.00 C ATOM 568 NZ LYS A 37 -11.422 -2.856 8.197 1.00 0.00 N ATOM 0 H LYS A 37 -6.797 0.450 7.544 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.594 -0.687 4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.053 1.276 6.718 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.685 0.451 5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.585 -1.705 6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.751 -0.998 7.812 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.788 0.519 8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.607 -0.450 6.923 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.410 -1.534 9.503 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.107 -1.164 9.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.157 -3.342 8.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.726 -2.780 7.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.536 -3.399 8.247 1.00 0.00 H new ATOM 582 N LEU A 38 -6.889 1.302 3.617 1.00 0.00 N ATOM 583 CA LEU A 38 -6.291 2.400 2.873 1.00 0.00 C ATOM 584 C LEU A 38 -7.060 2.704 1.592 1.00 0.00 C ATOM 585 O LEU A 38 -7.782 1.855 1.065 1.00 0.00 O ATOM 586 CB LEU A 38 -4.827 2.091 2.532 1.00 0.00 C ATOM 587 CG LEU A 38 -4.596 0.943 1.542 1.00 0.00 C ATOM 588 CD1 LEU A 38 -3.202 1.036 0.945 1.00 0.00 C ATOM 589 CD2 LEU A 38 -4.784 -0.405 2.218 1.00 0.00 C ATOM 0 H LEU A 38 -7.133 0.487 3.054 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.336 3.280 3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.371 2.993 2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.300 1.858 3.457 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.332 1.031 0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.051 0.215 0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.093 1.986 0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.460 0.974 1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.614 -1.202 1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.073 -0.503 3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.800 -0.478 2.607 1.00 0.00 H new ATOM 601 N LYS A 39 -6.889 3.921 1.100 1.00 0.00 N ATOM 602 CA LYS A 39 -7.505 4.352 -0.143 1.00 0.00 C ATOM 603 C LYS A 39 -6.430 4.682 -1.174 1.00 0.00 C ATOM 604 O LYS A 39 -5.593 5.558 -0.947 1.00 0.00 O ATOM 605 CB LYS A 39 -8.382 5.586 0.097 1.00 0.00 C ATOM 606 CG LYS A 39 -8.982 6.169 -1.176 1.00 0.00 C ATOM 607 CD LYS A 39 -9.610 7.531 -0.927 1.00 0.00 C ATOM 608 CE LYS A 39 -10.130 8.152 -2.217 1.00 0.00 C ATOM 609 NZ LYS A 39 -10.621 9.541 -2.007 1.00 0.00 N ATOM 0 H LYS A 39 -6.319 4.637 1.552 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.128 3.541 -0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.189 5.320 0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.786 6.353 0.592 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.206 6.259 -1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.736 5.487 -1.569 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.429 7.430 -0.215 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.874 8.195 -0.474 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.336 8.157 -2.963 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.938 7.538 -2.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.966 9.927 -2.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.396 9.534 -1.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.844 10.134 -1.651 1.00 0.00 H new ATOM 623 N VAL A 40 -6.444 3.977 -2.294 1.00 0.00 N ATOM 624 CA VAL A 40 -5.524 4.271 -3.385 1.00 0.00 C ATOM 625 C VAL A 40 -5.914 5.588 -4.043 1.00 0.00 C ATOM 626 O VAL A 40 -7.008 5.718 -4.587 1.00 0.00 O ATOM 627 CB VAL A 40 -5.507 3.134 -4.432 1.00 0.00 C ATOM 628 CG1 VAL A 40 -4.687 3.514 -5.659 1.00 0.00 C ATOM 629 CG2 VAL A 40 -4.957 1.867 -3.809 1.00 0.00 C ATOM 0 H VAL A 40 -7.079 3.199 -2.473 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.519 4.354 -2.971 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.533 2.963 -4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.698 2.691 -6.373 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.116 4.402 -6.123 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.660 3.721 -5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.948 1.070 -4.553 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.941 2.046 -3.457 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.586 1.572 -2.969 1.00 0.00 H new ATOM 639 N LEU A 41 -5.021 6.564 -3.978 1.00 0.00 N ATOM 640 CA LEU A 41 -5.324 7.902 -4.456 1.00 0.00 C ATOM 641 C LEU A 41 -4.943 8.064 -5.915 1.00 0.00 C ATOM 642 O LEU A 41 -5.799 8.312 -6.766 1.00 0.00 O ATOM 643 CB LEU A 41 -4.586 8.948 -3.618 1.00 0.00 C ATOM 644 CG LEU A 41 -4.900 8.931 -2.122 1.00 0.00 C ATOM 645 CD1 LEU A 41 -4.070 9.975 -1.400 1.00 0.00 C ATOM 646 CD2 LEU A 41 -6.382 9.171 -1.880 1.00 0.00 C ATOM 0 H LEU A 41 -4.081 6.453 -3.599 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.399 8.051 -4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.514 8.802 -3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.824 9.937 -4.011 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.645 7.947 -1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.303 9.953 -0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.011 9.761 -1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.299 10.963 -1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.583 9.155 -0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.665 10.142 -2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.962 8.389 -2.370 1.00 0.00 H new ATOM 658 N ARG A 42 -3.660 7.909 -6.214 1.00 0.00 N ATOM 659 CA ARG A 42 -3.169 8.211 -7.541 1.00 0.00 C ATOM 660 C ARG A 42 -2.003 7.307 -7.905 1.00 0.00 C ATOM 661 O ARG A 42 -1.353 6.722 -7.039 1.00 0.00 O ATOM 662 CB ARG A 42 -2.713 9.671 -7.601 1.00 0.00 C ATOM 663 CG ARG A 42 -2.637 10.249 -9.005 1.00 0.00 C ATOM 664 CD ARG A 42 -4.020 10.512 -9.578 1.00 0.00 C ATOM 665 NE ARG A 42 -4.751 11.520 -8.806 1.00 0.00 N ATOM 666 CZ ARG A 42 -6.078 11.636 -8.793 1.00 0.00 C ATOM 667 NH1 ARG A 42 -6.833 10.816 -9.517 1.00 0.00 N ATOM 668 NH2 ARG A 42 -6.650 12.580 -8.058 1.00 0.00 N ATOM 0 H ARG A 42 -2.951 7.579 -5.559 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.978 8.044 -8.252 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.398 10.277 -7.008 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.731 9.752 -7.135 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.068 11.178 -8.986 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.099 9.559 -9.655 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.927 10.844 -10.612 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.589 9.583 -9.592 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.209 12.175 -8.242 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.397 10.092 -10.088 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.848 10.911 -9.502 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.074 13.215 -7.505 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.666 12.671 -8.046 1.00 0.00 H new ATOM 682 N PHE A 43 -1.758 7.201 -9.193 1.00 0.00 N ATOM 683 CA PHE A 43 -0.582 6.525 -9.702 1.00 0.00 C ATOM 684 C PHE A 43 0.234 7.529 -10.484 1.00 0.00 C ATOM 685 O PHE A 43 -0.333 8.372 -11.186 1.00 0.00 O ATOM 686 CB PHE A 43 -0.951 5.348 -10.615 1.00 0.00 C ATOM 687 CG PHE A 43 -1.659 4.220 -9.923 1.00 0.00 C ATOM 688 CD1 PHE A 43 -3.029 4.261 -9.721 1.00 0.00 C ATOM 689 CD2 PHE A 43 -0.954 3.112 -9.486 1.00 0.00 C ATOM 690 CE1 PHE A 43 -3.680 3.219 -9.092 1.00 0.00 C ATOM 691 CE2 PHE A 43 -1.601 2.067 -8.855 1.00 0.00 C ATOM 692 CZ PHE A 43 -2.965 2.122 -8.658 1.00 0.00 C ATOM 0 H PHE A 43 -2.367 7.580 -9.918 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.016 6.123 -8.862 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.584 5.716 -11.423 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.041 4.962 -11.074 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.594 5.117 -10.059 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.114 3.064 -9.640 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.748 3.263 -8.940 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.040 1.209 -8.517 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.473 1.307 -8.164 1.00 0.00 H new ATOM 702 N ALA A 44 1.545 7.473 -10.350 1.00 0.00 N ATOM 703 CA ALA A 44 2.407 8.355 -11.114 1.00 0.00 C ATOM 704 C ALA A 44 2.299 8.027 -12.601 1.00 0.00 C ATOM 705 O ALA A 44 1.902 6.920 -12.963 1.00 0.00 O ATOM 706 CB ALA A 44 3.844 8.239 -10.635 1.00 0.00 C ATOM 0 H ALA A 44 2.034 6.832 -9.725 1.00 0.00 H new ATOM 0 HA ALA A 44 2.085 9.385 -10.963 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.477 8.907 -11.219 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.900 8.514 -9.582 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.188 7.212 -10.760 1.00 0.00 H new ATOM 712 N PRO A 45 2.651 8.982 -13.480 1.00 0.00 N ATOM 713 CA PRO A 45 2.586 8.809 -14.947 1.00 0.00 C ATOM 714 C PRO A 45 3.456 7.662 -15.478 1.00 0.00 C ATOM 715 O PRO A 45 3.582 7.477 -16.689 1.00 0.00 O ATOM 716 CB PRO A 45 3.091 10.149 -15.494 1.00 0.00 C ATOM 717 CG PRO A 45 3.819 10.783 -14.362 1.00 0.00 C ATOM 718 CD PRO A 45 3.113 10.334 -13.121 1.00 0.00 C ATOM 0 HA PRO A 45 1.575 8.547 -15.258 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.748 10.002 -16.351 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.264 10.774 -15.830 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.865 10.477 -14.349 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.806 11.870 -14.448 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.780 10.318 -12.259 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.281 10.992 -12.868 1.00 0.00 H new ATOM 726 N LEU A 46 4.041 6.889 -14.575 1.00 0.00 N ATOM 727 CA LEU A 46 4.903 5.781 -14.945 1.00 0.00 C ATOM 728 C LEU A 46 4.506 4.531 -14.166 1.00 0.00 C ATOM 729 O LEU A 46 5.241 3.545 -14.138 1.00 0.00 O ATOM 730 CB LEU A 46 6.366 6.128 -14.651 1.00 0.00 C ATOM 731 CG LEU A 46 6.921 7.334 -15.413 1.00 0.00 C ATOM 732 CD1 LEU A 46 8.329 7.662 -14.940 1.00 0.00 C ATOM 733 CD2 LEU A 46 6.912 7.072 -16.910 1.00 0.00 C ATOM 0 H LEU A 46 3.931 7.013 -13.569 1.00 0.00 H new ATOM 0 HA LEU A 46 4.791 5.591 -16.012 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.469 6.316 -13.582 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.981 5.259 -14.883 1.00 0.00 H new ATOM 0 HG LEU A 46 6.279 8.191 -15.210 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.707 8.522 -15.493 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.310 7.895 -13.875 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.980 6.805 -15.113 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.310 7.941 -17.434 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.529 6.201 -17.131 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.890 6.886 -17.241 1.00 0.00 H new ATOM 745 N GLY A 47 3.334 4.583 -13.534 1.00 0.00 N ATOM 746 CA GLY A 47 2.837 3.449 -12.766 1.00 0.00 C ATOM 747 C GLY A 47 3.576 3.277 -11.456 1.00 0.00 C ATOM 748 O GLY A 47 3.385 2.288 -10.747 1.00 0.00 O ATOM 0 H GLY A 47 2.716 5.395 -13.540 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.774 3.586 -12.566 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.936 2.540 -13.359 1.00 0.00 H new ATOM 752 N ASP A 48 4.400 4.263 -11.136 1.00 0.00 N ATOM 753 CA ASP A 48 5.279 4.220 -9.974 1.00 0.00 C ATOM 754 C ASP A 48 5.900 5.595 -9.755 1.00 0.00 C ATOM 755 O ASP A 48 6.371 6.222 -10.709 1.00 0.00 O ATOM 756 CB ASP A 48 6.380 3.170 -10.176 1.00 0.00 C ATOM 757 CG ASP A 48 7.498 3.281 -9.156 1.00 0.00 C ATOM 758 OD1 ASP A 48 7.314 2.837 -8.006 1.00 0.00 O ATOM 759 OD2 ASP A 48 8.572 3.816 -9.508 1.00 0.00 O ATOM 0 H ASP A 48 4.479 5.123 -11.679 1.00 0.00 H new ATOM 0 HA ASP A 48 4.696 3.943 -9.096 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.940 2.174 -10.118 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.797 3.277 -11.177 1.00 0.00 H new ATOM 764 N PRO A 49 5.900 6.100 -8.512 1.00 0.00 N ATOM 765 CA PRO A 49 5.352 5.390 -7.351 1.00 0.00 C ATOM 766 C PRO A 49 3.827 5.477 -7.258 1.00 0.00 C ATOM 767 O PRO A 49 3.163 6.025 -8.146 1.00 0.00 O ATOM 768 CB PRO A 49 5.996 6.119 -6.177 1.00 0.00 C ATOM 769 CG PRO A 49 6.172 7.516 -6.662 1.00 0.00 C ATOM 770 CD PRO A 49 6.450 7.416 -8.138 1.00 0.00 C ATOM 0 HA PRO A 49 5.562 4.321 -7.392 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.363 6.083 -5.291 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.951 5.669 -5.905 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.277 8.109 -6.474 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.995 8.007 -6.143 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.969 8.222 -8.691 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.518 7.478 -8.349 1.00 0.00 H new ATOM 778 N ILE A 50 3.282 4.933 -6.178 1.00 0.00 N ATOM 779 CA ILE A 50 1.844 4.920 -5.957 1.00 0.00 C ATOM 780 C ILE A 50 1.493 5.725 -4.712 1.00 0.00 C ATOM 781 O ILE A 50 2.138 5.593 -3.666 1.00 0.00 O ATOM 782 CB ILE A 50 1.320 3.475 -5.803 1.00 0.00 C ATOM 783 CG1 ILE A 50 1.735 2.634 -7.014 1.00 0.00 C ATOM 784 CG2 ILE A 50 -0.193 3.467 -5.646 1.00 0.00 C ATOM 785 CD1 ILE A 50 1.374 1.168 -6.898 1.00 0.00 C ATOM 0 H ILE A 50 3.822 4.491 -5.434 1.00 0.00 H new ATOM 0 HA ILE A 50 1.368 5.373 -6.827 1.00 0.00 H new ATOM 0 HB ILE A 50 1.759 3.040 -4.905 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.264 3.044 -7.907 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.812 2.723 -7.153 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.542 2.440 -5.539 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.470 4.039 -4.760 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.653 3.917 -6.526 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.701 0.641 -7.794 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.867 0.740 -6.025 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.294 1.067 -6.791 1.00 0.00 H new ATOM 797 N GLU A 51 0.470 6.557 -4.846 1.00 0.00 N ATOM 798 CA GLU A 51 0.008 7.405 -3.761 1.00 0.00 C ATOM 799 C GLU A 51 -1.193 6.764 -3.079 1.00 0.00 C ATOM 800 O GLU A 51 -2.251 6.609 -3.695 1.00 0.00 O ATOM 801 CB GLU A 51 -0.396 8.774 -4.314 1.00 0.00 C ATOM 802 CG GLU A 51 0.702 9.469 -5.101 1.00 0.00 C ATOM 803 CD GLU A 51 1.765 10.075 -4.213 1.00 0.00 C ATOM 804 OE1 GLU A 51 2.736 9.378 -3.869 1.00 0.00 O ATOM 805 OE2 GLU A 51 1.642 11.269 -3.870 1.00 0.00 O ATOM 0 H GLU A 51 -0.062 6.662 -5.710 1.00 0.00 H new ATOM 0 HA GLU A 51 0.814 7.526 -3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.268 8.652 -4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.697 9.415 -3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.166 8.753 -5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.261 10.252 -5.718 1.00 0.00 H new ATOM 812 N VAL A 52 -1.038 6.378 -1.823 1.00 0.00 N ATOM 813 CA VAL A 52 -2.131 5.756 -1.091 1.00 0.00 C ATOM 814 C VAL A 52 -2.339 6.419 0.266 1.00 0.00 C ATOM 815 O VAL A 52 -1.381 6.728 0.972 1.00 0.00 O ATOM 816 CB VAL A 52 -1.904 4.239 -0.886 1.00 0.00 C ATOM 817 CG1 VAL A 52 -1.950 3.502 -2.215 1.00 0.00 C ATOM 818 CG2 VAL A 52 -0.581 3.969 -0.181 1.00 0.00 C ATOM 0 H VAL A 52 -0.174 6.483 -1.292 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.024 5.894 -1.700 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.710 3.868 -0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.788 2.437 -2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.924 3.652 -2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.171 3.888 -2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.450 2.895 -0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.238 4.364 -0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.583 4.454 0.795 1.00 0.00 H new ATOM 828 N ASN A 53 -3.593 6.655 0.619 1.00 0.00 N ATOM 829 CA ASN A 53 -3.924 7.138 1.950 1.00 0.00 C ATOM 830 C ASN A 53 -4.132 5.945 2.862 1.00 0.00 C ATOM 831 O ASN A 53 -5.173 5.293 2.814 1.00 0.00 O ATOM 832 CB ASN A 53 -5.190 8.001 1.930 1.00 0.00 C ATOM 833 CG ASN A 53 -5.564 8.513 3.314 1.00 0.00 C ATOM 834 OD1 ASN A 53 -6.246 7.835 4.080 1.00 0.00 O ATOM 835 ND2 ASN A 53 -5.138 9.724 3.636 1.00 0.00 N ATOM 0 H ASN A 53 -4.396 6.520 0.004 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.104 7.757 2.314 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.039 8.848 1.261 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.017 7.418 1.525 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.374 10.123 4.545 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -4.574 10.259 2.975 1.00 0.00 H new ATOM 842 N CYS A 54 -3.135 5.641 3.667 1.00 0.00 N ATOM 843 CA CYS A 54 -3.194 4.478 4.525 1.00 0.00 C ATOM 844 C CYS A 54 -3.352 4.891 5.975 1.00 0.00 C ATOM 845 O CYS A 54 -2.451 5.495 6.561 1.00 0.00 O ATOM 846 CB CYS A 54 -1.944 3.619 4.352 1.00 0.00 C ATOM 847 SG CYS A 54 -2.010 2.036 5.223 1.00 0.00 S ATOM 0 H CYS A 54 -2.275 6.184 3.744 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.063 3.887 4.237 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.790 3.431 3.290 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.079 4.180 4.705 1.00 0.00 H new ATOM 0 HG CYS A 54 -1.707 2.216 6.474 1.00 0.00 H new ATOM 853 N ASN A 55 -4.517 4.582 6.535 1.00 0.00 N ATOM 854 CA ASN A 55 -4.796 4.822 7.948 1.00 0.00 C ATOM 855 C ASN A 55 -4.739 6.317 8.269 1.00 0.00 C ATOM 856 O ASN A 55 -4.438 6.715 9.396 1.00 0.00 O ATOM 857 CB ASN A 55 -3.794 4.040 8.806 1.00 0.00 C ATOM 858 CG ASN A 55 -4.415 3.474 10.068 1.00 0.00 C ATOM 859 OD1 ASN A 55 -5.320 4.063 10.655 1.00 0.00 O ATOM 860 ND2 ASN A 55 -3.933 2.315 10.486 1.00 0.00 N ATOM 0 H ASN A 55 -5.293 4.159 6.025 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.804 4.476 8.175 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.376 3.225 8.215 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.966 4.695 9.077 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.313 1.877 11.325 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.181 1.859 9.969 1.00 0.00 H new ATOM 867 N GLY A 56 -5.068 7.140 7.273 1.00 0.00 N ATOM 868 CA GLY A 56 -5.058 8.580 7.451 1.00 0.00 C ATOM 869 C GLY A 56 -3.781 9.238 6.951 1.00 0.00 C ATOM 870 O GLY A 56 -3.766 10.438 6.680 1.00 0.00 O ATOM 0 H GLY A 56 -5.343 6.830 6.341 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.910 9.010 6.925 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.187 8.810 8.509 1.00 0.00 H new ATOM 874 N MET A 57 -2.719 8.458 6.806 1.00 0.00 N ATOM 875 CA MET A 57 -1.437 8.988 6.354 1.00 0.00 C ATOM 876 C MET A 57 -1.248 8.771 4.863 1.00 0.00 C ATOM 877 O MET A 57 -1.494 7.681 4.348 1.00 0.00 O ATOM 878 CB MET A 57 -0.271 8.355 7.124 1.00 0.00 C ATOM 879 CG MET A 57 -0.053 8.930 8.517 1.00 0.00 C ATOM 880 SD MET A 57 -1.368 8.508 9.676 1.00 0.00 S ATOM 881 CE MET A 57 -1.189 6.725 9.740 1.00 0.00 C ATOM 0 H MET A 57 -2.718 7.456 6.994 1.00 0.00 H new ATOM 0 HA MET A 57 -1.444 10.060 6.552 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.447 7.283 7.210 1.00 0.00 H new ATOM 0 HB3 MET A 57 0.643 8.482 6.544 1.00 0.00 H new ATOM 0 HG2 MET A 57 0.897 8.566 8.908 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.026 10.015 8.447 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.898 6.314 10.458 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.385 6.304 8.754 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.174 6.472 10.047 1.00 0.00 H new ATOM 891 N LEU A 58 -0.829 9.823 4.173 1.00 0.00 N ATOM 892 CA LEU A 58 -0.496 9.731 2.759 1.00 0.00 C ATOM 893 C LEU A 58 0.847 9.037 2.603 1.00 0.00 C ATOM 894 O LEU A 58 1.891 9.622 2.889 1.00 0.00 O ATOM 895 CB LEU A 58 -0.426 11.121 2.119 1.00 0.00 C ATOM 896 CG LEU A 58 -1.702 11.954 2.208 1.00 0.00 C ATOM 897 CD1 LEU A 58 -1.503 13.304 1.536 1.00 0.00 C ATOM 898 CD2 LEU A 58 -2.869 11.212 1.583 1.00 0.00 C ATOM 0 H LEU A 58 -0.711 10.754 4.572 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.276 9.159 2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.384 11.678 2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.162 11.004 1.068 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.930 12.124 3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.422 13.885 1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.694 13.841 2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.250 13.154 0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.769 11.822 1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.652 11.010 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.025 10.270 2.109 1.00 0.00 H new ATOM 910 N LEU A 59 0.823 7.789 2.171 1.00 0.00 N ATOM 911 CA LEU A 59 2.046 7.017 2.046 1.00 0.00 C ATOM 912 C LEU A 59 2.416 6.868 0.581 1.00 0.00 C ATOM 913 O LEU A 59 1.573 6.520 -0.248 1.00 0.00 O ATOM 914 CB LEU A 59 1.900 5.626 2.673 1.00 0.00 C ATOM 915 CG LEU A 59 1.200 5.556 4.039 1.00 0.00 C ATOM 916 CD1 LEU A 59 1.404 4.184 4.662 1.00 0.00 C ATOM 917 CD2 LEU A 59 1.691 6.645 4.981 1.00 0.00 C ATOM 0 H LEU A 59 -0.025 7.290 1.902 1.00 0.00 H new ATOM 0 HA LEU A 59 2.832 7.553 2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.350 4.994 1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.895 5.194 2.778 1.00 0.00 H new ATOM 0 HG LEU A 59 0.135 5.720 3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.904 4.146 5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.985 3.421 4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.470 4.001 4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.172 6.561 5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.763 6.532 5.140 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.490 7.623 4.543 1.00 0.00 H new ATOM 929 N THR A 60 3.666 7.139 0.267 1.00 0.00 N ATOM 930 CA THR A 60 4.166 6.941 -1.079 1.00 0.00 C ATOM 931 C THR A 60 5.118 5.757 -1.112 1.00 0.00 C ATOM 932 O THR A 60 6.146 5.753 -0.433 1.00 0.00 O ATOM 933 CB THR A 60 4.894 8.197 -1.596 1.00 0.00 C ATOM 934 OG1 THR A 60 3.997 9.314 -1.590 1.00 0.00 O ATOM 935 CG2 THR A 60 5.432 7.977 -3.004 1.00 0.00 C ATOM 0 H THR A 60 4.356 7.498 0.927 1.00 0.00 H new ATOM 0 HA THR A 60 3.311 6.745 -1.727 1.00 0.00 H new ATOM 0 HB THR A 60 5.737 8.400 -0.935 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.404 9.262 -2.369 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.941 8.879 -3.344 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.135 7.144 -2.999 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.606 7.751 -3.678 1.00 0.00 H new ATOM 943 N MET A 61 4.776 4.758 -1.902 1.00 0.00 N ATOM 944 CA MET A 61 5.614 3.580 -2.032 1.00 0.00 C ATOM 945 C MET A 61 5.741 3.188 -3.494 1.00 0.00 C ATOM 946 O MET A 61 5.036 3.724 -4.350 1.00 0.00 O ATOM 947 CB MET A 61 5.072 2.424 -1.179 1.00 0.00 C ATOM 948 CG MET A 61 3.594 2.127 -1.376 1.00 0.00 C ATOM 949 SD MET A 61 3.227 1.354 -2.960 1.00 0.00 S ATOM 950 CE MET A 61 1.461 1.144 -2.810 1.00 0.00 C ATOM 0 H MET A 61 3.925 4.738 -2.463 1.00 0.00 H new ATOM 0 HA MET A 61 6.611 3.815 -1.658 1.00 0.00 H new ATOM 0 HB2 MET A 61 5.643 1.524 -1.407 1.00 0.00 H new ATOM 0 HB3 MET A 61 5.245 2.654 -0.128 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.252 1.474 -0.573 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.030 3.056 -1.294 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.984 1.387 -3.759 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.239 0.110 -2.547 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.081 1.806 -2.032 1.00 0.00 H new ATOM 960 N ARG A 62 6.644 2.268 -3.780 1.00 0.00 N ATOM 961 CA ARG A 62 6.946 1.908 -5.152 1.00 0.00 C ATOM 962 C ARG A 62 6.027 0.795 -5.628 1.00 0.00 C ATOM 963 O ARG A 62 5.492 0.032 -4.820 1.00 0.00 O ATOM 964 CB ARG A 62 8.407 1.462 -5.285 1.00 0.00 C ATOM 965 CG ARG A 62 9.399 2.342 -4.537 1.00 0.00 C ATOM 966 CD ARG A 62 9.155 3.824 -4.781 1.00 0.00 C ATOM 967 NE ARG A 62 9.221 4.183 -6.193 1.00 0.00 N ATOM 968 CZ ARG A 62 9.827 5.277 -6.648 1.00 0.00 C ATOM 969 NH1 ARG A 62 10.460 6.089 -5.807 1.00 0.00 N ATOM 970 NH2 ARG A 62 9.806 5.549 -7.945 1.00 0.00 N ATOM 0 H ARG A 62 7.181 1.757 -3.080 1.00 0.00 H new ATOM 0 HA ARG A 62 6.787 2.789 -5.773 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.498 0.439 -4.919 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.676 1.447 -6.341 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.331 2.136 -3.469 1.00 0.00 H new ATOM 0 HG3 ARG A 62 10.413 2.087 -4.847 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.176 4.096 -4.387 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.893 4.405 -4.228 1.00 0.00 H new ATOM 0 HE ARG A 62 8.778 3.561 -6.869 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.482 5.874 -4.810 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.924 6.927 -6.159 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.327 4.921 -8.590 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.269 6.386 -8.298 1.00 0.00 H new ATOM 984 N ARG A 63 5.859 0.699 -6.942 1.00 0.00 N ATOM 985 CA ARG A 63 5.047 -0.356 -7.538 1.00 0.00 C ATOM 986 C ARG A 63 5.533 -1.723 -7.068 1.00 0.00 C ATOM 987 O ARG A 63 4.733 -2.625 -6.819 1.00 0.00 O ATOM 988 CB ARG A 63 5.118 -0.288 -9.064 1.00 0.00 C ATOM 989 CG ARG A 63 4.282 -1.352 -9.756 1.00 0.00 C ATOM 990 CD ARG A 63 4.601 -1.438 -11.237 1.00 0.00 C ATOM 991 NE ARG A 63 3.795 -2.455 -11.911 1.00 0.00 N ATOM 992 CZ ARG A 63 4.278 -3.611 -12.365 1.00 0.00 C ATOM 993 NH1 ARG A 63 5.554 -3.934 -12.167 1.00 0.00 N ATOM 994 NH2 ARG A 63 3.478 -4.460 -12.999 1.00 0.00 N ATOM 0 H ARG A 63 6.275 1.341 -7.617 1.00 0.00 H new ATOM 0 HA ARG A 63 4.014 -0.212 -7.223 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.784 0.696 -9.392 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.157 -0.393 -9.377 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.463 -2.319 -9.288 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.224 -1.127 -9.624 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.425 -0.468 -11.703 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.658 -1.668 -11.368 1.00 0.00 H new ATOM 0 HE ARG A 63 2.801 -2.268 -12.042 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.170 -3.295 -11.665 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.916 -4.821 -12.518 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.495 -4.227 -13.138 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.847 -5.345 -13.347 1.00 0.00 H new ATOM 1008 N ASN A 64 6.849 -1.842 -6.933 1.00 0.00 N ATOM 1009 CA ASN A 64 7.497 -3.081 -6.500 1.00 0.00 C ATOM 1010 C ASN A 64 6.909 -3.554 -5.178 1.00 0.00 C ATOM 1011 O ASN A 64 6.617 -4.737 -4.990 1.00 0.00 O ATOM 1012 CB ASN A 64 9.004 -2.859 -6.305 1.00 0.00 C ATOM 1013 CG ASN A 64 9.609 -1.894 -7.312 1.00 0.00 C ATOM 1014 OD1 ASN A 64 9.219 -1.853 -8.481 1.00 0.00 O ATOM 1015 ND2 ASN A 64 10.567 -1.102 -6.856 1.00 0.00 N ATOM 0 H ASN A 64 7.501 -1.081 -7.121 1.00 0.00 H new ATOM 0 HA ASN A 64 7.329 -3.832 -7.272 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.180 -2.479 -5.299 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.517 -3.818 -6.379 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.010 -0.427 -7.479 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.862 -1.167 -5.882 1.00 0.00 H new ATOM 1022 N GLU A 65 6.727 -2.604 -4.275 1.00 0.00 N ATOM 1023 CA GLU A 65 6.254 -2.888 -2.933 1.00 0.00 C ATOM 1024 C GLU A 65 4.772 -3.238 -2.959 1.00 0.00 C ATOM 1025 O GLU A 65 4.326 -4.150 -2.265 1.00 0.00 O ATOM 1026 CB GLU A 65 6.518 -1.676 -2.035 1.00 0.00 C ATOM 1027 CG GLU A 65 7.976 -1.223 -2.093 1.00 0.00 C ATOM 1028 CD GLU A 65 8.256 0.042 -1.306 1.00 0.00 C ATOM 1029 OE1 GLU A 65 7.900 1.138 -1.782 1.00 0.00 O ATOM 1030 OE2 GLU A 65 8.865 -0.054 -0.222 1.00 0.00 O ATOM 0 H GLU A 65 6.903 -1.615 -4.453 1.00 0.00 H new ATOM 0 HA GLU A 65 6.792 -3.746 -2.530 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.871 -0.853 -2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.257 -1.924 -1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.611 -2.024 -1.713 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.255 -1.061 -3.134 1.00 0.00 H new ATOM 1037 N ALA A 66 4.024 -2.528 -3.793 1.00 0.00 N ATOM 1038 CA ALA A 66 2.592 -2.761 -3.941 1.00 0.00 C ATOM 1039 C ALA A 66 2.312 -4.131 -4.554 1.00 0.00 C ATOM 1040 O ALA A 66 1.232 -4.694 -4.366 1.00 0.00 O ATOM 1041 CB ALA A 66 1.970 -1.667 -4.788 1.00 0.00 C ATOM 0 H ALA A 66 4.388 -1.780 -4.382 1.00 0.00 H new ATOM 0 HA ALA A 66 2.143 -2.742 -2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.901 -1.851 -4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.127 -0.701 -4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.435 -1.662 -5.774 1.00 0.00 H new ATOM 1047 N GLU A 67 3.268 -4.642 -5.323 1.00 0.00 N ATOM 1048 CA GLU A 67 3.182 -5.997 -5.863 1.00 0.00 C ATOM 1049 C GLU A 67 3.163 -7.023 -4.732 1.00 0.00 C ATOM 1050 O GLU A 67 2.369 -7.964 -4.741 1.00 0.00 O ATOM 1051 CB GLU A 67 4.362 -6.283 -6.797 1.00 0.00 C ATOM 1052 CG GLU A 67 4.369 -5.445 -8.064 1.00 0.00 C ATOM 1053 CD GLU A 67 5.606 -5.681 -8.906 1.00 0.00 C ATOM 1054 OE1 GLU A 67 5.647 -6.683 -9.647 1.00 0.00 O ATOM 1055 OE2 GLU A 67 6.552 -4.871 -8.824 1.00 0.00 O ATOM 0 H GLU A 67 4.114 -4.138 -5.588 1.00 0.00 H new ATOM 0 HA GLU A 67 2.255 -6.075 -6.431 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.291 -6.109 -6.254 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.346 -7.338 -7.072 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.482 -5.676 -8.654 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.310 -4.389 -7.799 1.00 0.00 H new ATOM 1062 N GLY A 68 4.056 -6.837 -3.772 1.00 0.00 N ATOM 1063 CA GLY A 68 4.130 -7.728 -2.630 1.00 0.00 C ATOM 1064 C GLY A 68 2.905 -7.651 -1.737 1.00 0.00 C ATOM 1065 O GLY A 68 2.469 -8.660 -1.175 1.00 0.00 O ATOM 0 H GLY A 68 4.737 -6.078 -3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.252 -8.752 -2.983 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.016 -7.485 -2.044 1.00 0.00 H new ATOM 1069 N ILE A 69 2.345 -6.458 -1.604 1.00 0.00 N ATOM 1070 CA ILE A 69 1.219 -6.242 -0.707 1.00 0.00 C ATOM 1071 C ILE A 69 -0.068 -6.819 -1.288 1.00 0.00 C ATOM 1072 O ILE A 69 -0.475 -6.477 -2.400 1.00 0.00 O ATOM 1073 CB ILE A 69 1.010 -4.745 -0.404 1.00 0.00 C ATOM 1074 CG1 ILE A 69 2.329 -4.100 0.024 1.00 0.00 C ATOM 1075 CG2 ILE A 69 -0.039 -4.574 0.688 1.00 0.00 C ATOM 1076 CD1 ILE A 69 2.243 -2.601 0.203 1.00 0.00 C ATOM 0 H ILE A 69 2.652 -5.625 -2.106 1.00 0.00 H new ATOM 0 HA ILE A 69 1.458 -6.758 0.223 1.00 0.00 H new ATOM 0 HB ILE A 69 0.659 -4.250 -1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.656 -4.551 0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.092 -4.325 -0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.179 -3.513 0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.983 -5.007 0.357 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.294 -5.079 1.595 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.216 -2.214 0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.947 -2.139 -0.738 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.504 -2.368 0.970 1.00 0.00 H new ATOM 1088 N THR A 70 -0.696 -7.702 -0.530 1.00 0.00 N ATOM 1089 CA THR A 70 -1.964 -8.286 -0.919 1.00 0.00 C ATOM 1090 C THR A 70 -3.091 -7.636 -0.117 1.00 0.00 C ATOM 1091 O THR A 70 -3.015 -7.550 1.112 1.00 0.00 O ATOM 1092 CB THR A 70 -1.963 -9.808 -0.677 1.00 0.00 C ATOM 1093 OG1 THR A 70 -0.766 -10.383 -1.222 1.00 0.00 O ATOM 1094 CG2 THR A 70 -3.181 -10.462 -1.315 1.00 0.00 C ATOM 0 H THR A 70 -0.342 -8.032 0.368 1.00 0.00 H new ATOM 0 HA THR A 70 -2.119 -8.108 -1.983 1.00 0.00 H new ATOM 0 HB THR A 70 -2.000 -9.985 0.398 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.767 -11.350 -1.065 1.00 0.00 H new ATOM 0 HG21 THR A 70 -3.156 -11.536 -1.130 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.089 -10.040 -0.883 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.171 -10.279 -2.389 1.00 0.00 H new ATOM 1102 N VAL A 71 -4.114 -7.160 -0.814 1.00 0.00 N ATOM 1103 CA VAL A 71 -5.233 -6.477 -0.177 1.00 0.00 C ATOM 1104 C VAL A 71 -6.557 -7.011 -0.708 1.00 0.00 C ATOM 1105 O VAL A 71 -6.594 -7.715 -1.722 1.00 0.00 O ATOM 1106 CB VAL A 71 -5.189 -4.948 -0.426 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -3.894 -4.342 0.098 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -5.374 -4.637 -1.907 1.00 0.00 C ATOM 0 H VAL A 71 -4.192 -7.235 -1.828 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.150 -6.666 0.893 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.014 -4.495 0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.892 -3.269 -0.091 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.816 -4.522 1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.046 -4.801 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.340 -3.558 -2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.577 -5.110 -2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.338 -5.020 -2.242 1.00 0.00 H new ATOM 1118 N HIS A 72 -7.637 -6.687 -0.021 1.00 0.00 N ATOM 1119 CA HIS A 72 -8.974 -6.984 -0.510 1.00 0.00 C ATOM 1120 C HIS A 72 -9.829 -5.725 -0.455 1.00 0.00 C ATOM 1121 O HIS A 72 -9.809 -4.993 0.538 1.00 0.00 O ATOM 1122 CB HIS A 72 -9.622 -8.132 0.282 1.00 0.00 C ATOM 1123 CG HIS A 72 -9.692 -7.914 1.765 1.00 0.00 C ATOM 1124 ND1 HIS A 72 -8.666 -8.302 2.596 1.00 0.00 N ATOM 1125 CD2 HIS A 72 -10.687 -7.375 2.511 1.00 0.00 C ATOM 1126 CE1 HIS A 72 -9.060 -7.997 3.821 1.00 0.00 C ATOM 1127 NE2 HIS A 72 -10.276 -7.435 3.816 1.00 0.00 N ATOM 0 H HIS A 72 -7.615 -6.215 0.883 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.900 -7.316 -1.546 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -10.632 -8.290 -0.096 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.063 -9.048 0.090 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.622 -6.976 2.147 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -8.476 -8.178 4.711 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.798 -7.112 4.631 1.00 0.00 H new ATOM 1135 N ILE A 73 -10.555 -5.465 -1.533 1.00 0.00 N ATOM 1136 CA ILE A 73 -11.355 -4.252 -1.641 1.00 0.00 C ATOM 1137 C ILE A 73 -12.536 -4.288 -0.679 1.00 0.00 C ATOM 1138 O ILE A 73 -13.282 -5.271 -0.626 1.00 0.00 O ATOM 1139 CB ILE A 73 -11.863 -4.041 -3.084 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -10.681 -3.852 -4.035 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -12.804 -2.844 -3.163 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -11.088 -3.596 -5.470 1.00 0.00 C ATOM 0 H ILE A 73 -10.607 -6.078 -2.346 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.709 -3.415 -1.375 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.420 -4.929 -3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.074 -3.017 -3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -10.051 -4.741 -3.999 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.147 -2.718 -4.190 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -13.662 -3.012 -2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -12.277 -1.945 -2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -10.196 -3.472 -6.085 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.669 -4.441 -5.840 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -11.692 -2.690 -5.521 1.00 0.00 H new ATOM 1154 N LEU A 74 -12.690 -3.215 0.082 1.00 0.00 N ATOM 1155 CA LEU A 74 -13.772 -3.105 1.043 1.00 0.00 C ATOM 1156 C LEU A 74 -15.044 -2.645 0.345 1.00 0.00 C ATOM 1157 O LEU A 74 -15.319 -1.447 0.244 1.00 0.00 O ATOM 1158 CB LEU A 74 -13.395 -2.133 2.165 1.00 0.00 C ATOM 1159 CG LEU A 74 -12.130 -2.503 2.938 1.00 0.00 C ATOM 1160 CD1 LEU A 74 -11.807 -1.439 3.973 1.00 0.00 C ATOM 1161 CD2 LEU A 74 -12.291 -3.859 3.605 1.00 0.00 C ATOM 0 H LEU A 74 -12.073 -2.403 0.050 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.950 -4.085 1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.264 -1.139 1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -14.227 -2.070 2.867 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.301 -2.561 2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.903 -1.720 4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -11.649 -0.483 3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.636 -1.350 4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -11.381 -4.106 4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.132 -3.826 4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -12.476 -4.618 2.845 1.00 0.00 H new