USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 674 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 63 TYR OH : rot -110:sc= -1.08 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 52 SER OG : rot -140:sc= 0 USER MOD Set 2.2: A 58 THR OG1 : rot 74:sc= 0.483 USER MOD Single : A 9 MET CE :methyl 163:sc= -1.34 (180deg=-1.66) USER MOD Single : A 10 LYS NZ :NH3+ 155:sc= -0.107 (180deg=-0.521) USER MOD Single : A 11 GLN : amide:sc= -0.534 X(o=-0.53,f=-0.38) USER MOD Single : A 17 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.00662) USER MOD Single : A 19 GLN : amide:sc= 0.161 X(o=0.16,f=-0.11) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.155 K(o=-0.16,f=-5.1!) USER MOD Single : A 35 THR OG1 : rot -139:sc= 0.192 USER MOD Single : A 38 GLN : amide:sc= -0.771 K(o=-0.77,f=-1.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.779 K(o=-0.78,f=-2.4!) USER MOD Single : A 47 ASN : amide:sc= -1.13 K(o=-1.1,f=-9.6!) USER MOD Single : A 56 SER OG : rot 91:sc= 0.0835 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -121:sc= -0.442 (180deg=-0.955) USER MOD Single : A 62 ASN : amide:sc= -0.516 X(o=-0.52,f=-0.24) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.97) USER MOD Single : A 80 MET CE :methyl 176:sc= -3.3! (180deg=-3.36!) USER MOD Single : A 82 TYR OH : rot 1:sc= -0.133 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0823 K(o=-0.082,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 68 N ASP A 8 2.027 8.618 1.689 1.00 0.00 N ATOM 69 CA ASP A 8 0.624 9.004 1.783 1.00 0.00 C ATOM 70 C ASP A 8 -0.232 7.834 2.255 1.00 0.00 C ATOM 71 O ASP A 8 -1.365 7.659 1.807 1.00 0.00 O ATOM 72 CB ASP A 8 0.119 9.508 0.430 1.00 0.00 C ATOM 73 CG ASP A 8 0.758 10.824 0.028 1.00 0.00 C ATOM 74 OD1 ASP A 8 1.230 11.553 0.925 1.00 0.00 O ATOM 75 OD2 ASP A 8 0.786 11.123 -1.184 1.00 0.00 O ATOM 0 HA ASP A 8 0.543 9.808 2.515 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.326 8.759 -0.334 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.963 9.631 0.472 1.00 0.00 H new ATOM 80 N MET A 9 0.317 7.034 3.163 1.00 0.00 N ATOM 81 CA MET A 9 -0.396 5.880 3.697 1.00 0.00 C ATOM 82 C MET A 9 -1.192 6.257 4.943 1.00 0.00 C ATOM 83 O MET A 9 -2.240 5.675 5.222 1.00 0.00 O ATOM 84 CB MET A 9 0.586 4.755 4.027 1.00 0.00 C ATOM 85 CG MET A 9 0.889 3.845 2.846 1.00 0.00 C ATOM 86 SD MET A 9 0.804 2.095 3.273 1.00 0.00 S ATOM 87 CE MET A 9 -0.540 1.554 2.220 1.00 0.00 C ATOM 0 H MET A 9 1.254 7.164 3.544 1.00 0.00 H new ATOM 0 HA MET A 9 -1.094 5.533 2.935 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.518 5.191 4.387 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.179 4.156 4.841 1.00 0.00 H new ATOM 0 HG2 MET A 9 0.183 4.053 2.042 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.884 4.073 2.463 1.00 0.00 H new ATOM 0 HE1 MET A 9 -0.522 0.467 2.136 1.00 0.00 H new ATOM 0 HE2 MET A 9 -1.490 1.869 2.652 1.00 0.00 H new ATOM 0 HE3 MET A 9 -0.427 1.996 1.230 1.00 0.00 H new ATOM 97 N LYS A 10 -0.687 7.235 5.688 1.00 0.00 N ATOM 98 CA LYS A 10 -1.352 7.688 6.904 1.00 0.00 C ATOM 99 C LYS A 10 -2.745 8.228 6.593 1.00 0.00 C ATOM 100 O LYS A 10 -3.661 8.112 7.405 1.00 0.00 O ATOM 101 CB LYS A 10 -0.517 8.768 7.595 1.00 0.00 C ATOM 102 CG LYS A 10 0.930 8.365 7.823 1.00 0.00 C ATOM 103 CD LYS A 10 1.500 9.016 9.073 1.00 0.00 C ATOM 104 CE LYS A 10 1.491 8.059 10.253 1.00 0.00 C ATOM 105 NZ LYS A 10 2.392 6.895 10.032 1.00 0.00 N ATOM 0 H LYS A 10 0.179 7.728 5.471 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.454 6.833 7.573 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.542 9.676 6.992 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.974 9.010 8.555 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.997 7.281 7.914 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.529 8.650 6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.520 9.347 8.879 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.918 9.904 9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.799 8.590 11.153 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.475 7.704 10.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.693 6.510 10.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.886 6.161 9.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.228 7.200 9.494 1.00 0.00 H new ATOM 119 N GLN A 11 -2.894 8.819 5.412 1.00 0.00 N ATOM 120 CA GLN A 11 -4.175 9.376 4.994 1.00 0.00 C ATOM 121 C GLN A 11 -5.216 8.276 4.812 1.00 0.00 C ATOM 122 O GLN A 11 -6.410 8.501 5.007 1.00 0.00 O ATOM 123 CB GLN A 11 -4.012 10.161 3.690 1.00 0.00 C ATOM 124 CG GLN A 11 -3.464 9.327 2.544 1.00 0.00 C ATOM 125 CD GLN A 11 -4.252 9.509 1.260 1.00 0.00 C ATOM 126 OE1 GLN A 11 -4.742 10.599 0.969 1.00 0.00 O ATOM 127 NE2 GLN A 11 -4.377 8.437 0.486 1.00 0.00 N ATOM 0 H GLN A 11 -2.144 8.924 4.728 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.521 10.051 5.777 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.979 10.572 3.400 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.346 11.006 3.865 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.423 9.598 2.368 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.476 8.275 2.827 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.954 7.553 0.767 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.896 8.498 -0.390 1.00 0.00 H new ATOM 136 N LEU A 12 -4.754 7.088 4.437 1.00 0.00 N ATOM 137 CA LEU A 12 -5.647 5.953 4.229 1.00 0.00 C ATOM 138 C LEU A 12 -6.301 5.527 5.539 1.00 0.00 C ATOM 139 O LEU A 12 -5.648 5.470 6.581 1.00 0.00 O ATOM 140 CB LEU A 12 -4.878 4.777 3.623 1.00 0.00 C ATOM 141 CG LEU A 12 -4.596 4.892 2.124 1.00 0.00 C ATOM 142 CD1 LEU A 12 -3.537 3.886 1.703 1.00 0.00 C ATOM 143 CD2 LEU A 12 -5.874 4.690 1.325 1.00 0.00 C ATOM 0 H LEU A 12 -3.768 6.886 4.271 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.431 6.262 3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.929 4.673 4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.443 3.862 3.802 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.218 5.894 1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.349 3.982 0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.615 4.077 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.887 2.877 1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.655 4.775 0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.281 3.701 1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.603 5.449 1.607 1.00 0.00 H new ATOM 155 N ALA A 13 -7.594 5.227 5.478 1.00 0.00 N ATOM 156 CA ALA A 13 -8.337 4.804 6.659 1.00 0.00 C ATOM 157 C ALA A 13 -7.938 3.394 7.082 1.00 0.00 C ATOM 158 O ALA A 13 -7.559 2.570 6.249 1.00 0.00 O ATOM 159 CB ALA A 13 -9.833 4.874 6.394 1.00 0.00 C ATOM 0 H ALA A 13 -8.149 5.269 4.623 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.092 5.483 7.475 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.375 4.555 7.284 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.111 5.899 6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.086 4.218 5.561 1.00 0.00 H new ATOM 165 N GLU A 14 -8.025 3.123 8.379 1.00 0.00 N ATOM 166 CA GLU A 14 -7.673 1.813 8.913 1.00 0.00 C ATOM 167 C GLU A 14 -8.532 0.720 8.283 1.00 0.00 C ATOM 168 O GLU A 14 -8.080 -0.410 8.099 1.00 0.00 O ATOM 169 CB GLU A 14 -7.836 1.799 10.435 1.00 0.00 C ATOM 170 CG GLU A 14 -6.518 1.739 11.188 1.00 0.00 C ATOM 171 CD GLU A 14 -6.025 3.109 11.609 1.00 0.00 C ATOM 172 OE1 GLU A 14 -6.654 3.718 12.501 1.00 0.00 O ATOM 173 OE2 GLU A 14 -5.011 3.574 11.047 1.00 0.00 O ATOM 0 H GLU A 14 -8.337 3.794 9.081 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.630 1.614 8.667 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.380 2.693 10.742 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.446 0.941 10.719 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.637 1.112 12.072 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.766 1.264 10.559 1.00 0.00 H new ATOM 180 N ASP A 15 -9.772 1.066 7.954 1.00 0.00 N ATOM 181 CA ASP A 15 -10.694 0.114 7.343 1.00 0.00 C ATOM 182 C ASP A 15 -10.231 -0.271 5.942 1.00 0.00 C ATOM 183 O ASP A 15 -10.469 -1.388 5.484 1.00 0.00 O ATOM 184 CB ASP A 15 -12.104 0.705 7.284 1.00 0.00 C ATOM 185 CG ASP A 15 -12.947 0.313 8.481 1.00 0.00 C ATOM 186 OD1 ASP A 15 -12.478 0.498 9.624 1.00 0.00 O ATOM 187 OD2 ASP A 15 -14.076 -0.180 8.277 1.00 0.00 O ATOM 0 H ASP A 15 -10.162 1.997 8.100 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.710 -0.785 7.959 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.037 1.792 7.231 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.597 0.371 6.371 1.00 0.00 H new ATOM 192 N VAL A 16 -9.569 0.663 5.265 1.00 0.00 N ATOM 193 CA VAL A 16 -9.073 0.421 3.916 1.00 0.00 C ATOM 194 C VAL A 16 -7.985 -0.648 3.916 1.00 0.00 C ATOM 195 O VAL A 16 -8.029 -1.592 3.125 1.00 0.00 O ATOM 196 CB VAL A 16 -8.511 1.709 3.283 1.00 0.00 C ATOM 197 CG1 VAL A 16 -8.144 1.474 1.825 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.513 2.848 3.409 1.00 0.00 C ATOM 0 H VAL A 16 -9.364 1.594 5.629 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.921 0.075 3.324 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.606 1.989 3.821 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.749 2.395 1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.388 0.691 1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.031 1.167 1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.099 3.749 2.957 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.437 2.578 2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.722 3.034 4.463 1.00 0.00 H new ATOM 208 N LYS A 17 -7.011 -0.495 4.806 1.00 0.00 N ATOM 209 CA LYS A 17 -5.911 -1.448 4.908 1.00 0.00 C ATOM 210 C LYS A 17 -6.373 -2.747 5.563 1.00 0.00 C ATOM 211 O LYS A 17 -5.826 -3.816 5.295 1.00 0.00 O ATOM 212 CB LYS A 17 -4.756 -0.843 5.708 1.00 0.00 C ATOM 213 CG LYS A 17 -4.190 0.427 5.092 1.00 0.00 C ATOM 214 CD LYS A 17 -4.704 1.670 5.803 1.00 0.00 C ATOM 215 CE LYS A 17 -3.655 2.253 6.736 1.00 0.00 C ATOM 216 NZ LYS A 17 -3.578 1.509 8.022 1.00 0.00 N ATOM 0 H LYS A 17 -6.960 0.280 5.467 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.566 -1.674 3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.100 -0.625 6.719 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.959 -1.581 5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.101 0.403 5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.460 0.472 4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.993 2.419 5.065 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.600 1.421 6.372 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.682 2.231 6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.888 3.299 6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.140 2.113 8.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.536 1.242 8.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.004 0.651 7.893 1.00 0.00 H new ATOM 230 N LEU A 18 -7.383 -2.646 6.421 1.00 0.00 N ATOM 231 CA LEU A 18 -7.917 -3.812 7.115 1.00 0.00 C ATOM 232 C LEU A 18 -8.432 -4.848 6.119 1.00 0.00 C ATOM 233 O LEU A 18 -8.238 -6.050 6.302 1.00 0.00 O ATOM 234 CB LEU A 18 -9.042 -3.397 8.064 1.00 0.00 C ATOM 235 CG LEU A 18 -8.591 -3.016 9.475 1.00 0.00 C ATOM 236 CD1 LEU A 18 -9.736 -2.382 10.248 1.00 0.00 C ATOM 237 CD2 LEU A 18 -8.059 -4.237 10.211 1.00 0.00 C ATOM 0 H LEU A 18 -7.848 -1.768 6.652 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.110 -4.260 7.695 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.571 -2.550 7.627 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.757 -4.217 8.136 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.786 -2.285 9.395 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.396 -2.118 11.249 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.072 -1.484 9.730 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.562 -3.089 10.320 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.742 -3.948 11.213 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.844 -4.990 10.281 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.209 -4.648 9.666 1.00 0.00 H new ATOM 249 N GLN A 19 -9.092 -4.374 5.067 1.00 0.00 N ATOM 250 CA GLN A 19 -9.637 -5.258 4.044 1.00 0.00 C ATOM 251 C GLN A 19 -8.520 -5.927 3.248 1.00 0.00 C ATOM 252 O GLN A 19 -8.661 -7.063 2.796 1.00 0.00 O ATOM 253 CB GLN A 19 -10.553 -4.476 3.101 1.00 0.00 C ATOM 254 CG GLN A 19 -11.735 -3.826 3.801 1.00 0.00 C ATOM 255 CD GLN A 19 -12.457 -2.826 2.919 1.00 0.00 C ATOM 256 OE1 GLN A 19 -12.957 -3.172 1.849 1.00 0.00 O ATOM 257 NE2 GLN A 19 -12.514 -1.577 3.366 1.00 0.00 N ATOM 0 H GLN A 19 -9.262 -3.382 4.901 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.217 -6.035 4.543 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.970 -3.704 2.599 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.924 -5.149 2.328 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.436 -4.599 4.116 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.387 -3.324 4.704 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.085 -1.335 4.259 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.987 -0.860 2.816 1.00 0.00 H new ATOM 266 N LEU A 20 -7.411 -5.214 3.081 1.00 0.00 N ATOM 267 CA LEU A 20 -6.271 -5.738 2.338 1.00 0.00 C ATOM 268 C LEU A 20 -5.736 -7.011 2.987 1.00 0.00 C ATOM 269 O LEU A 20 -5.371 -7.964 2.299 1.00 0.00 O ATOM 270 CB LEU A 20 -5.162 -4.688 2.258 1.00 0.00 C ATOM 271 CG LEU A 20 -5.386 -3.589 1.218 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.426 -2.432 1.450 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.222 -4.145 -0.188 1.00 0.00 C ATOM 0 H LEU A 20 -7.278 -4.272 3.450 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.607 -5.980 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.051 -4.223 3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.221 -5.191 2.036 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.405 -3.217 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.600 -1.659 0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.590 -2.017 2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.399 -2.790 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.385 -3.349 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.215 -4.544 -0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.949 -4.941 -0.352 1.00 0.00 H new ATOM 285 N TYR A 21 -5.690 -7.019 4.316 1.00 0.00 N ATOM 286 CA TYR A 21 -5.199 -8.175 5.056 1.00 0.00 C ATOM 287 C TYR A 21 -6.060 -9.404 4.783 1.00 0.00 C ATOM 288 O TYR A 21 -5.550 -10.519 4.673 1.00 0.00 O ATOM 289 CB TYR A 21 -5.177 -7.876 6.556 1.00 0.00 C ATOM 290 CG TYR A 21 -4.472 -6.585 6.907 1.00 0.00 C ATOM 291 CD1 TYR A 21 -3.219 -6.291 6.383 1.00 0.00 C ATOM 292 CD2 TYR A 21 -5.059 -5.660 7.761 1.00 0.00 C ATOM 293 CE1 TYR A 21 -2.571 -5.113 6.702 1.00 0.00 C ATOM 294 CE2 TYR A 21 -4.418 -4.479 8.084 1.00 0.00 C ATOM 295 CZ TYR A 21 -3.175 -4.210 7.552 1.00 0.00 C ATOM 296 OH TYR A 21 -2.533 -3.036 7.871 1.00 0.00 O ATOM 0 H TYR A 21 -5.987 -6.238 4.901 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.184 -8.384 4.719 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.202 -7.832 6.924 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.687 -8.700 7.075 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.744 -6.995 5.716 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.033 -5.867 8.180 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.596 -4.900 6.288 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.888 -3.771 8.750 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.094 -2.511 8.479 1.00 0.00 H new ATOM 306 N LYS A 22 -7.367 -9.192 4.676 1.00 0.00 N ATOM 307 CA LYS A 22 -8.299 -10.283 4.417 1.00 0.00 C ATOM 308 C LYS A 22 -8.153 -10.797 2.988 1.00 0.00 C ATOM 309 O LYS A 22 -8.226 -12.001 2.740 1.00 0.00 O ATOM 310 CB LYS A 22 -9.737 -9.822 4.661 1.00 0.00 C ATOM 311 CG LYS A 22 -10.211 -10.037 6.089 1.00 0.00 C ATOM 312 CD LYS A 22 -9.802 -8.884 6.991 1.00 0.00 C ATOM 313 CE LYS A 22 -9.875 -9.272 8.460 1.00 0.00 C ATOM 314 NZ LYS A 22 -11.275 -9.516 8.901 1.00 0.00 N ATOM 0 H LYS A 22 -7.805 -8.275 4.765 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.064 -11.098 5.102 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.817 -8.763 4.416 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.401 -10.357 3.982 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.296 -10.143 6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.795 -10.968 6.475 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.787 -8.572 6.746 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.452 -8.028 6.807 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.280 -10.170 8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.436 -8.480 9.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.281 -9.778 9.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.838 -8.652 8.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.686 -10.289 8.340 1.00 0.00 H new ATOM 328 N LEU A 23 -7.947 -9.877 2.051 1.00 0.00 N ATOM 329 CA LEU A 23 -7.790 -10.238 0.647 1.00 0.00 C ATOM 330 C LEU A 23 -6.516 -11.050 0.432 1.00 0.00 C ATOM 331 O LEU A 23 -6.546 -12.120 -0.176 1.00 0.00 O ATOM 332 CB LEU A 23 -7.760 -8.980 -0.224 1.00 0.00 C ATOM 333 CG LEU A 23 -9.120 -8.316 -0.449 1.00 0.00 C ATOM 334 CD1 LEU A 23 -8.971 -6.804 -0.521 1.00 0.00 C ATOM 335 CD2 LEU A 23 -9.768 -8.849 -1.718 1.00 0.00 C ATOM 0 H LEU A 23 -7.885 -8.876 2.239 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.643 -10.852 0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.090 -8.254 0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.334 -9.238 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.765 -8.557 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.949 -6.349 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.548 -6.435 0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.309 -6.543 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.735 -8.366 -1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.125 -8.637 -2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.910 -9.926 -1.629 1.00 0.00 H new ATOM 347 N LEU A 24 -5.400 -10.533 0.934 1.00 0.00 N ATOM 348 CA LEU A 24 -4.115 -11.209 0.798 1.00 0.00 C ATOM 349 C LEU A 24 -4.109 -12.535 1.553 1.00 0.00 C ATOM 350 O LEU A 24 -3.367 -13.454 1.206 1.00 0.00 O ATOM 351 CB LEU A 24 -2.987 -10.311 1.313 1.00 0.00 C ATOM 352 CG LEU A 24 -2.852 -8.966 0.597 1.00 0.00 C ATOM 353 CD1 LEU A 24 -1.889 -8.058 1.347 1.00 0.00 C ATOM 354 CD2 LEU A 24 -2.388 -9.171 -0.837 1.00 0.00 C ATOM 0 H LEU A 24 -5.359 -9.648 1.439 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.954 -11.416 -0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.147 -10.125 2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.044 -10.850 1.222 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.830 -8.486 0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.805 -7.106 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.263 -7.886 2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.908 -8.531 1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.297 -8.204 -1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.420 -9.671 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.114 -9.785 -1.370 1.00 0.00 H new ATOM 366 N GLU A 25 -4.938 -12.627 2.590 1.00 0.00 N ATOM 367 CA GLU A 25 -5.027 -13.839 3.396 1.00 0.00 C ATOM 368 C GLU A 25 -5.303 -15.065 2.526 1.00 0.00 C ATOM 369 O GLU A 25 -4.937 -16.185 2.882 1.00 0.00 O ATOM 370 CB GLU A 25 -6.125 -13.691 4.454 1.00 0.00 C ATOM 371 CG GLU A 25 -5.655 -14.003 5.866 1.00 0.00 C ATOM 372 CD GLU A 25 -6.798 -14.352 6.797 1.00 0.00 C ATOM 373 OE1 GLU A 25 -7.629 -15.206 6.422 1.00 0.00 O ATOM 374 OE2 GLU A 25 -6.863 -13.771 7.901 1.00 0.00 O ATOM 0 H GLU A 25 -5.558 -11.875 2.891 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.067 -13.983 3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.511 -12.672 4.425 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.953 -14.353 4.201 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.950 -14.834 5.835 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.117 -13.143 6.264 1.00 0.00 H new ATOM 381 N ILE A 26 -5.949 -14.845 1.385 1.00 0.00 N ATOM 382 CA ILE A 26 -6.271 -15.933 0.470 1.00 0.00 C ATOM 383 C ILE A 26 -5.001 -16.568 -0.095 1.00 0.00 C ATOM 384 O ILE A 26 -4.147 -15.875 -0.649 1.00 0.00 O ATOM 385 CB ILE A 26 -7.150 -15.442 -0.698 1.00 0.00 C ATOM 386 CG1 ILE A 26 -8.373 -14.690 -0.166 1.00 0.00 C ATOM 387 CG2 ILE A 26 -7.583 -16.614 -1.569 1.00 0.00 C ATOM 388 CD1 ILE A 26 -8.830 -13.564 -1.069 1.00 0.00 C ATOM 0 H ILE A 26 -6.259 -13.925 1.073 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.824 -16.678 1.043 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.562 -14.758 -1.309 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.194 -15.395 -0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.140 -14.284 0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.203 -16.249 -2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.702 -17.111 -1.974 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.155 -17.322 -0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.700 -13.076 -0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.025 -12.838 -1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.095 -13.966 -2.047 1.00 0.00 H new ATOM 400 N PRO A 27 -4.854 -17.900 0.037 1.00 0.00 N ATOM 401 CA PRO A 27 -3.679 -18.615 -0.465 1.00 0.00 C ATOM 402 C PRO A 27 -3.707 -18.781 -1.981 1.00 0.00 C ATOM 403 O PRO A 27 -3.796 -19.898 -2.493 1.00 0.00 O ATOM 404 CB PRO A 27 -3.778 -19.975 0.226 1.00 0.00 C ATOM 405 CG PRO A 27 -5.237 -20.178 0.440 1.00 0.00 C ATOM 406 CD PRO A 27 -5.820 -18.812 0.685 1.00 0.00 C ATOM 0 HA PRO A 27 -2.752 -18.081 -0.257 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.353 -20.766 -0.392 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.234 -19.981 1.170 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.696 -20.647 -0.430 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.418 -20.836 1.290 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.815 -18.717 0.250 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.917 -18.603 1.750 1.00 0.00 H new ATOM 414 N ASP A 28 -3.631 -17.663 -2.695 1.00 0.00 N ATOM 415 CA ASP A 28 -3.648 -17.685 -4.153 1.00 0.00 C ATOM 416 C ASP A 28 -2.351 -17.117 -4.723 1.00 0.00 C ATOM 417 O ASP A 28 -1.724 -16.249 -4.116 1.00 0.00 O ATOM 418 CB ASP A 28 -4.845 -16.889 -4.681 1.00 0.00 C ATOM 419 CG ASP A 28 -5.994 -17.784 -5.101 1.00 0.00 C ATOM 420 OD1 ASP A 28 -6.855 -18.086 -4.246 1.00 0.00 O ATOM 421 OD2 ASP A 28 -6.034 -18.184 -6.282 1.00 0.00 O ATOM 0 H ASP A 28 -3.557 -16.731 -2.288 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.739 -18.722 -4.475 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.188 -16.200 -3.910 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.529 -16.284 -5.531 1.00 0.00 H new ATOM 426 N PRO A 29 -1.931 -17.600 -5.905 1.00 0.00 N ATOM 427 CA PRO A 29 -0.701 -17.136 -6.557 1.00 0.00 C ATOM 428 C PRO A 29 -0.796 -15.680 -7.001 1.00 0.00 C ATOM 429 O PRO A 29 0.214 -14.986 -7.109 1.00 0.00 O ATOM 430 CB PRO A 29 -0.567 -18.059 -7.772 1.00 0.00 C ATOM 431 CG PRO A 29 -1.949 -18.544 -8.038 1.00 0.00 C ATOM 432 CD PRO A 29 -2.620 -18.635 -6.697 1.00 0.00 C ATOM 0 HA PRO A 29 0.155 -17.174 -5.883 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.163 -17.524 -8.632 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.110 -18.888 -7.566 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.483 -17.859 -8.696 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.933 -19.515 -8.533 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.690 -18.442 -6.768 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.504 -19.624 -6.255 1.00 0.00 H new ATOM 440 N ASP A 30 -2.018 -15.224 -7.258 1.00 0.00 N ATOM 441 CA ASP A 30 -2.245 -13.849 -7.692 1.00 0.00 C ATOM 442 C ASP A 30 -3.220 -13.138 -6.759 1.00 0.00 C ATOM 443 O ASP A 30 -3.952 -12.241 -7.176 1.00 0.00 O ATOM 444 CB ASP A 30 -2.784 -13.827 -9.123 1.00 0.00 C ATOM 445 CG ASP A 30 -1.723 -14.179 -10.146 1.00 0.00 C ATOM 446 OD1 ASP A 30 -0.777 -13.381 -10.318 1.00 0.00 O ATOM 447 OD2 ASP A 30 -1.837 -15.251 -10.776 1.00 0.00 O ATOM 0 H ASP A 30 -2.865 -15.785 -7.174 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.291 -13.322 -7.662 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.613 -14.530 -9.207 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.182 -12.837 -9.343 1.00 0.00 H new ATOM 452 N LYS A 31 -3.224 -13.542 -5.492 1.00 0.00 N ATOM 453 CA LYS A 31 -4.109 -12.942 -4.501 1.00 0.00 C ATOM 454 C LYS A 31 -3.625 -13.242 -3.086 1.00 0.00 C ATOM 455 O LYS A 31 -4.427 -13.436 -2.172 1.00 0.00 O ATOM 456 CB LYS A 31 -5.538 -13.459 -4.684 1.00 0.00 C ATOM 457 CG LYS A 31 -6.371 -12.620 -5.640 1.00 0.00 C ATOM 458 CD LYS A 31 -7.851 -12.943 -5.519 1.00 0.00 C ATOM 459 CE LYS A 31 -8.620 -12.505 -6.755 1.00 0.00 C ATOM 460 NZ LYS A 31 -9.653 -13.502 -7.148 1.00 0.00 N ATOM 0 H LYS A 31 -2.624 -14.282 -5.128 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.098 -11.862 -4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.500 -14.484 -5.052 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.033 -13.487 -3.713 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.210 -11.562 -5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.041 -12.798 -6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.979 -14.015 -5.370 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.262 -12.448 -4.639 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.097 -11.544 -6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.925 -12.357 -7.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.155 -13.166 -7.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.195 -14.413 -7.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.331 -13.625 -6.369 1.00 0.00 H new ATOM 474 N ASN A 32 -2.307 -13.276 -2.911 1.00 0.00 N ATOM 475 CA ASN A 32 -1.716 -13.551 -1.607 1.00 0.00 C ATOM 476 C ASN A 32 -0.805 -12.407 -1.171 1.00 0.00 C ATOM 477 O ASN A 32 -0.368 -11.601 -1.992 1.00 0.00 O ATOM 478 CB ASN A 32 -0.928 -14.862 -1.646 1.00 0.00 C ATOM 479 CG ASN A 32 -0.346 -15.228 -0.295 1.00 0.00 C ATOM 480 OD1 ASN A 32 0.872 -15.238 -0.113 1.00 0.00 O ATOM 481 ND2 ASN A 32 -1.214 -15.531 0.662 1.00 0.00 N ATOM 0 H ASN A 32 -1.629 -13.116 -3.656 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.524 -13.644 -0.882 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.581 -15.665 -1.987 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -0.122 -14.776 -2.375 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.880 -15.785 1.592 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.215 -15.510 0.468 1.00 0.00 H new ATOM 488 N TRP A 33 -0.522 -12.346 0.126 1.00 0.00 N ATOM 489 CA TRP A 33 0.337 -11.301 0.672 1.00 0.00 C ATOM 490 C TRP A 33 1.757 -11.426 0.129 1.00 0.00 C ATOM 491 O TRP A 33 2.403 -10.426 -0.182 1.00 0.00 O ATOM 492 CB TRP A 33 0.356 -11.375 2.201 1.00 0.00 C ATOM 493 CG TRP A 33 0.771 -12.716 2.724 1.00 0.00 C ATOM 494 CD1 TRP A 33 -0.050 -13.752 3.067 1.00 0.00 C ATOM 495 CD2 TRP A 33 2.108 -13.165 2.967 1.00 0.00 C ATOM 496 NE1 TRP A 33 0.695 -14.818 3.508 1.00 0.00 N ATOM 497 CE2 TRP A 33 2.023 -14.483 3.455 1.00 0.00 C ATOM 498 CE3 TRP A 33 3.370 -12.583 2.818 1.00 0.00 C ATOM 499 CZ2 TRP A 33 3.151 -15.226 3.795 1.00 0.00 C ATOM 500 CZ3 TRP A 33 4.489 -13.321 3.155 1.00 0.00 C ATOM 501 CH2 TRP A 33 4.373 -14.630 3.640 1.00 0.00 C ATOM 0 H TRP A 33 -0.874 -13.007 0.818 1.00 0.00 H new ATOM 0 HA TRP A 33 -0.067 -10.336 0.366 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.037 -10.616 2.586 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.637 -11.136 2.582 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -1.128 -13.735 3.001 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.321 -15.713 3.824 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.469 -11.574 2.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 3.064 -16.236 4.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 5.469 -12.881 3.043 1.00 0.00 H new ATOM 0 HH2 TRP A 33 5.266 -15.180 3.897 1.00 0.00 H new ATOM 512 N ALA A 34 2.236 -12.661 0.018 1.00 0.00 N ATOM 513 CA ALA A 34 3.579 -12.917 -0.489 1.00 0.00 C ATOM 514 C ALA A 34 3.750 -12.364 -1.899 1.00 0.00 C ATOM 515 O ALA A 34 4.844 -11.957 -2.289 1.00 0.00 O ATOM 516 CB ALA A 34 3.875 -14.408 -0.465 1.00 0.00 C ATOM 0 H ALA A 34 1.714 -13.500 0.272 1.00 0.00 H new ATOM 0 HA ALA A 34 4.289 -12.405 0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.881 -14.585 -0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.804 -14.777 0.558 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.152 -14.933 -1.090 1.00 0.00 H new ATOM 522 N THR A 35 2.661 -12.351 -2.660 1.00 0.00 N ATOM 523 CA THR A 35 2.690 -11.848 -4.029 1.00 0.00 C ATOM 524 C THR A 35 2.803 -10.327 -4.047 1.00 0.00 C ATOM 525 O THR A 35 3.458 -9.754 -4.917 1.00 0.00 O ATOM 526 CB THR A 35 1.434 -12.287 -4.783 1.00 0.00 C ATOM 527 OG1 THR A 35 1.074 -13.610 -4.430 1.00 0.00 O ATOM 528 CG2 THR A 35 1.592 -12.240 -6.287 1.00 0.00 C ATOM 0 H THR A 35 1.747 -12.683 -2.352 1.00 0.00 H new ATOM 0 HA THR A 35 3.567 -12.265 -4.525 1.00 0.00 H new ATOM 0 HB THR A 35 0.660 -11.577 -4.493 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.791 -14.097 -5.232 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.665 -12.564 -6.761 1.00 0.00 H new ATOM 0 HG22 THR A 35 1.821 -11.220 -6.597 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.404 -12.902 -6.588 1.00 0.00 H new ATOM 536 N LEU A 36 2.160 -9.680 -3.081 1.00 0.00 N ATOM 537 CA LEU A 36 2.188 -8.225 -2.987 1.00 0.00 C ATOM 538 C LEU A 36 3.549 -7.737 -2.504 1.00 0.00 C ATOM 539 O LEU A 36 3.999 -6.653 -2.877 1.00 0.00 O ATOM 540 CB LEU A 36 1.091 -7.733 -2.040 1.00 0.00 C ATOM 541 CG LEU A 36 0.859 -6.221 -2.049 1.00 0.00 C ATOM 542 CD1 LEU A 36 0.390 -5.761 -3.420 1.00 0.00 C ATOM 543 CD2 LEU A 36 -0.150 -5.832 -0.979 1.00 0.00 C ATOM 0 H LEU A 36 1.614 -10.140 -2.353 1.00 0.00 H new ATOM 0 HA LEU A 36 2.009 -7.818 -3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.157 -8.230 -2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.343 -8.041 -1.025 1.00 0.00 H new ATOM 0 HG LEU A 36 1.804 -5.725 -1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.230 -4.683 -3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.147 -6.007 -4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.544 -6.263 -3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.304 -4.753 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.097 -6.337 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.226 -6.127 0.000 1.00 0.00 H new ATOM 555 N ALA A 37 4.200 -8.543 -1.671 1.00 0.00 N ATOM 556 CA ALA A 37 5.511 -8.191 -1.137 1.00 0.00 C ATOM 557 C ALA A 37 6.535 -8.037 -2.256 1.00 0.00 C ATOM 558 O ALA A 37 7.411 -7.173 -2.194 1.00 0.00 O ATOM 559 CB ALA A 37 5.972 -9.242 -0.138 1.00 0.00 C ATOM 0 H ALA A 37 3.842 -9.443 -1.352 1.00 0.00 H new ATOM 0 HA ALA A 37 5.423 -7.232 -0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.952 -8.967 0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.257 -9.302 0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.038 -10.211 -0.633 1.00 0.00 H new ATOM 565 N GLN A 38 6.421 -8.878 -3.278 1.00 0.00 N ATOM 566 CA GLN A 38 7.337 -8.834 -4.411 1.00 0.00 C ATOM 567 C GLN A 38 6.987 -7.684 -5.349 1.00 0.00 C ATOM 568 O GLN A 38 7.868 -7.069 -5.950 1.00 0.00 O ATOM 569 CB GLN A 38 7.303 -10.159 -5.173 1.00 0.00 C ATOM 570 CG GLN A 38 7.788 -11.345 -4.355 1.00 0.00 C ATOM 571 CD GLN A 38 6.988 -12.605 -4.623 1.00 0.00 C ATOM 572 OE1 GLN A 38 6.490 -13.246 -3.698 1.00 0.00 O ATOM 573 NE2 GLN A 38 6.862 -12.966 -5.895 1.00 0.00 N ATOM 0 H GLN A 38 5.703 -9.599 -3.345 1.00 0.00 H new ATOM 0 HA GLN A 38 8.344 -8.671 -4.026 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.283 -10.351 -5.506 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.919 -10.070 -6.068 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.838 -11.531 -4.580 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.728 -11.099 -3.295 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.292 -12.404 -6.630 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.335 -13.805 -6.137 1.00 0.00 H new ATOM 582 N LYS A 39 5.694 -7.399 -5.471 1.00 0.00 N ATOM 583 CA LYS A 39 5.227 -6.321 -6.336 1.00 0.00 C ATOM 584 C LYS A 39 5.590 -4.960 -5.751 1.00 0.00 C ATOM 585 O LYS A 39 6.050 -4.069 -6.465 1.00 0.00 O ATOM 586 CB LYS A 39 3.713 -6.418 -6.535 1.00 0.00 C ATOM 587 CG LYS A 39 3.312 -7.120 -7.822 1.00 0.00 C ATOM 588 CD LYS A 39 3.553 -8.619 -7.738 1.00 0.00 C ATOM 589 CE LYS A 39 3.601 -9.253 -9.119 1.00 0.00 C ATOM 590 NZ LYS A 39 4.246 -10.594 -9.092 1.00 0.00 N ATOM 0 H LYS A 39 4.952 -7.899 -4.982 1.00 0.00 H new ATOM 0 HA LYS A 39 5.720 -6.424 -7.303 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.277 -6.951 -5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.289 -5.414 -6.532 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.258 -6.931 -8.028 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.879 -6.705 -8.656 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.491 -8.809 -7.216 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.761 -9.084 -7.150 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.588 -9.345 -9.512 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.148 -8.600 -9.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.259 -10.992 -10.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.221 -10.503 -8.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.709 -11.225 -8.463 1.00 0.00 H new ATOM 604 N LEU A 40 5.382 -4.807 -4.448 1.00 0.00 N ATOM 605 CA LEU A 40 5.688 -3.554 -3.767 1.00 0.00 C ATOM 606 C LEU A 40 7.194 -3.337 -3.677 1.00 0.00 C ATOM 607 O LEU A 40 7.755 -2.501 -4.385 1.00 0.00 O ATOM 608 CB LEU A 40 5.074 -3.549 -2.365 1.00 0.00 C ATOM 609 CG LEU A 40 3.555 -3.379 -2.325 1.00 0.00 C ATOM 610 CD1 LEU A 40 3.051 -3.426 -0.891 1.00 0.00 C ATOM 611 CD2 LEU A 40 3.148 -2.074 -2.992 1.00 0.00 C ATOM 0 H LEU A 40 5.003 -5.535 -3.842 1.00 0.00 H new ATOM 0 HA LEU A 40 5.257 -2.739 -4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.333 -4.484 -1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.530 -2.744 -1.788 1.00 0.00 H new ATOM 0 HG LEU A 40 3.101 -4.203 -2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.968 -3.303 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.311 -4.386 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.512 -2.622 -0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.064 -1.969 -2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.612 -1.238 -2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.476 -2.079 -4.031 1.00 0.00 H new ATOM 623 N GLY A 41 7.844 -4.096 -2.799 1.00 0.00 N ATOM 624 CA GLY A 41 9.281 -3.971 -2.634 1.00 0.00 C ATOM 625 C GLY A 41 9.766 -4.555 -1.321 1.00 0.00 C ATOM 626 O GLY A 41 10.601 -3.959 -0.641 1.00 0.00 O ATOM 0 H GLY A 41 7.402 -4.794 -2.200 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.784 -4.474 -3.460 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.560 -2.918 -2.685 1.00 0.00 H new ATOM 630 N LEU A 42 9.244 -5.725 -0.967 1.00 0.00 N ATOM 631 CA LEU A 42 9.630 -6.390 0.272 1.00 0.00 C ATOM 632 C LEU A 42 9.854 -7.881 0.042 1.00 0.00 C ATOM 633 O LEU A 42 9.622 -8.698 0.933 1.00 0.00 O ATOM 634 CB LEU A 42 8.559 -6.182 1.343 1.00 0.00 C ATOM 635 CG LEU A 42 8.058 -4.744 1.489 1.00 0.00 C ATOM 636 CD1 LEU A 42 6.750 -4.711 2.264 1.00 0.00 C ATOM 637 CD2 LEU A 42 9.108 -3.883 2.174 1.00 0.00 C ATOM 0 H LEU A 42 8.553 -6.232 -1.520 1.00 0.00 H new ATOM 0 HA LEU A 42 10.566 -5.949 0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.709 -6.825 1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.958 -6.510 2.303 1.00 0.00 H new ATOM 0 HG LEU A 42 7.876 -4.339 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.409 -3.680 2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.998 -5.295 1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.904 -5.134 3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.736 -2.863 2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.320 -4.287 3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.022 -3.881 1.579 1.00 0.00 H new ATOM 649 N GLY A 43 10.306 -8.228 -1.159 1.00 0.00 N ATOM 650 CA GLY A 43 10.554 -9.621 -1.483 1.00 0.00 C ATOM 651 C GLY A 43 11.679 -10.217 -0.660 1.00 0.00 C ATOM 652 O GLY A 43 11.704 -11.421 -0.410 1.00 0.00 O ATOM 0 H GLY A 43 10.505 -7.570 -1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.643 -10.197 -1.318 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.798 -9.707 -2.542 1.00 0.00 H new ATOM 656 N ILE A 44 12.613 -9.370 -0.239 1.00 0.00 N ATOM 657 CA ILE A 44 13.746 -9.819 0.561 1.00 0.00 C ATOM 658 C ILE A 44 13.339 -10.035 2.016 1.00 0.00 C ATOM 659 O ILE A 44 13.899 -10.887 2.707 1.00 0.00 O ATOM 660 CB ILE A 44 14.910 -8.807 0.502 1.00 0.00 C ATOM 661 CG1 ILE A 44 16.137 -9.359 1.231 1.00 0.00 C ATOM 662 CG2 ILE A 44 14.488 -7.472 1.098 1.00 0.00 C ATOM 663 CD1 ILE A 44 16.959 -10.315 0.393 1.00 0.00 C ATOM 0 H ILE A 44 12.607 -8.370 -0.439 1.00 0.00 H new ATOM 0 HA ILE A 44 14.080 -10.767 0.139 1.00 0.00 H new ATOM 0 HB ILE A 44 15.175 -8.647 -0.543 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.769 -8.527 1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.812 -9.870 2.137 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.321 -6.771 1.048 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.644 -7.073 0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.196 -7.614 2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 44 17.812 -10.666 0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.343 -11.166 0.102 1.00 0.00 H new ATOM 0 HD13 ILE A 44 17.315 -9.802 -0.501 1.00 0.00 H new ATOM 675 N LEU A 45 12.363 -9.258 2.475 1.00 0.00 N ATOM 676 CA LEU A 45 11.883 -9.365 3.848 1.00 0.00 C ATOM 677 C LEU A 45 10.615 -10.212 3.917 1.00 0.00 C ATOM 678 O LEU A 45 9.771 -10.010 4.789 1.00 0.00 O ATOM 679 CB LEU A 45 11.612 -7.975 4.424 1.00 0.00 C ATOM 680 CG LEU A 45 12.724 -6.951 4.195 1.00 0.00 C ATOM 681 CD1 LEU A 45 12.157 -5.539 4.196 1.00 0.00 C ATOM 682 CD2 LEU A 45 13.806 -7.094 5.253 1.00 0.00 C ATOM 0 H LEU A 45 11.889 -8.548 1.917 1.00 0.00 H new ATOM 0 HA LEU A 45 12.657 -9.853 4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.690 -7.591 3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.442 -8.070 5.496 1.00 0.00 H new ATOM 0 HG LEU A 45 13.171 -7.140 3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.963 -4.823 4.032 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.418 -5.443 3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.683 -5.338 5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.589 -6.357 5.074 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.373 -6.931 6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 45 14.232 -8.096 5.204 1.00 0.00 H new ATOM 694 N ASN A 46 10.490 -11.160 2.994 1.00 0.00 N ATOM 695 CA ASN A 46 9.324 -12.036 2.953 1.00 0.00 C ATOM 696 C ASN A 46 9.375 -13.061 4.082 1.00 0.00 C ATOM 697 O ASN A 46 8.355 -13.377 4.694 1.00 0.00 O ATOM 698 CB ASN A 46 9.243 -12.747 1.600 1.00 0.00 C ATOM 699 CG ASN A 46 7.990 -12.381 0.829 1.00 0.00 C ATOM 700 OD1 ASN A 46 6.886 -12.394 1.372 1.00 0.00 O ATOM 701 ND2 ASN A 46 8.157 -12.051 -0.447 1.00 0.00 N ATOM 0 H ASN A 46 11.180 -11.341 2.265 1.00 0.00 H new ATOM 0 HA ASN A 46 8.432 -11.423 3.086 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.120 -12.491 1.005 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.268 -13.825 1.757 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.351 -11.795 -1.017 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.091 -12.054 -0.856 1.00 0.00 H new ATOM 708 N ASN A 47 10.571 -13.576 4.353 1.00 0.00 N ATOM 709 CA ASN A 47 10.756 -14.565 5.408 1.00 0.00 C ATOM 710 C ASN A 47 10.449 -13.965 6.777 1.00 0.00 C ATOM 711 O ASN A 47 9.997 -14.663 7.684 1.00 0.00 O ATOM 712 CB ASN A 47 12.187 -15.105 5.383 1.00 0.00 C ATOM 713 CG ASN A 47 13.222 -13.999 5.318 1.00 0.00 C ATOM 714 OD1 ASN A 47 12.896 -12.820 5.458 1.00 0.00 O ATOM 715 ND2 ASN A 47 14.476 -14.374 5.101 1.00 0.00 N ATOM 0 H ASN A 47 11.426 -13.324 3.856 1.00 0.00 H new ATOM 0 HA ASN A 47 10.062 -15.386 5.228 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.360 -15.709 6.274 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.309 -15.764 4.523 1.00 0.00 H new ATOM 0 HD21 ASN A 47 15.215 -13.673 5.044 1.00 0.00 H new ATOM 0 HD22 ASN A 47 14.701 -15.363 4.991 1.00 0.00 H new ATOM 722 N ALA A 48 10.701 -12.668 6.918 1.00 0.00 N ATOM 723 CA ALA A 48 10.452 -11.974 8.176 1.00 0.00 C ATOM 724 C ALA A 48 8.959 -11.904 8.479 1.00 0.00 C ATOM 725 O ALA A 48 8.549 -11.937 9.639 1.00 0.00 O ATOM 726 CB ALA A 48 11.051 -10.575 8.133 1.00 0.00 C ATOM 0 H ALA A 48 11.077 -12.077 6.177 1.00 0.00 H new ATOM 0 HA ALA A 48 10.931 -12.539 8.976 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.858 -10.067 9.078 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.127 -10.645 7.971 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.598 -10.010 7.319 1.00 0.00 H new ATOM 732 N PHE A 49 8.151 -11.806 7.429 1.00 0.00 N ATOM 733 CA PHE A 49 6.703 -11.731 7.583 1.00 0.00 C ATOM 734 C PHE A 49 6.104 -13.118 7.782 1.00 0.00 C ATOM 735 O PHE A 49 5.166 -13.295 8.560 1.00 0.00 O ATOM 736 CB PHE A 49 6.072 -11.062 6.360 1.00 0.00 C ATOM 737 CG PHE A 49 6.712 -9.754 5.993 1.00 0.00 C ATOM 738 CD1 PHE A 49 6.943 -8.786 6.957 1.00 0.00 C ATOM 739 CD2 PHE A 49 7.082 -9.492 4.684 1.00 0.00 C ATOM 740 CE1 PHE A 49 7.532 -7.582 6.623 1.00 0.00 C ATOM 741 CE2 PHE A 49 7.671 -8.290 4.343 1.00 0.00 C ATOM 742 CZ PHE A 49 7.896 -7.333 5.314 1.00 0.00 C ATOM 0 H PHE A 49 8.474 -11.777 6.462 1.00 0.00 H new ATOM 0 HA PHE A 49 6.489 -11.132 8.468 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.139 -11.741 5.510 1.00 0.00 H new ATOM 0 HB3 PHE A 49 5.012 -10.897 6.553 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.659 -8.975 7.982 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.908 -10.236 3.921 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.708 -6.836 7.384 1.00 0.00 H new ATOM 0 HE2 PHE A 49 7.955 -8.098 3.319 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.356 -6.392 5.050 1.00 0.00 H new ATOM 752 N ARG A 50 6.651 -14.102 7.074 1.00 0.00 N ATOM 753 CA ARG A 50 6.169 -15.475 7.173 1.00 0.00 C ATOM 754 C ARG A 50 6.272 -15.987 8.607 1.00 0.00 C ATOM 755 O ARG A 50 5.464 -16.808 9.042 1.00 0.00 O ATOM 756 CB ARG A 50 6.963 -16.384 6.231 1.00 0.00 C ATOM 757 CG ARG A 50 6.087 -17.217 5.308 1.00 0.00 C ATOM 758 CD ARG A 50 6.322 -18.708 5.498 1.00 0.00 C ATOM 759 NE ARG A 50 5.191 -19.361 6.154 1.00 0.00 N ATOM 760 CZ ARG A 50 4.977 -20.675 6.125 1.00 0.00 C ATOM 761 NH1 ARG A 50 5.813 -21.478 5.478 1.00 0.00 N ATOM 762 NH2 ARG A 50 3.923 -21.188 6.746 1.00 0.00 N ATOM 0 H ARG A 50 7.428 -13.974 6.426 1.00 0.00 H new ATOM 0 HA ARG A 50 5.119 -15.489 6.879 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.633 -15.772 5.628 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.588 -17.051 6.824 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.038 -16.987 5.497 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.290 -16.946 4.272 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.497 -19.174 4.528 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.223 -18.860 6.092 1.00 0.00 H new ATOM 0 HE ARG A 50 4.528 -18.777 6.663 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.625 -21.089 4.999 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.643 -22.484 5.460 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.277 -20.576 7.245 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.758 -22.194 6.724 1.00 0.00 H new ATOM 776 N LEU A 51 7.270 -15.497 9.334 1.00 0.00 N ATOM 777 CA LEU A 51 7.476 -15.905 10.719 1.00 0.00 C ATOM 778 C LEU A 51 6.371 -15.357 11.617 1.00 0.00 C ATOM 779 O LEU A 51 5.982 -15.992 12.598 1.00 0.00 O ATOM 780 CB LEU A 51 8.840 -15.423 11.217 1.00 0.00 C ATOM 781 CG LEU A 51 10.037 -16.227 10.707 1.00 0.00 C ATOM 782 CD1 LEU A 51 11.337 -15.650 11.247 1.00 0.00 C ATOM 783 CD2 LEU A 51 9.899 -17.691 11.096 1.00 0.00 C ATOM 0 H LEU A 51 7.948 -14.818 8.988 1.00 0.00 H new ATOM 0 HA LEU A 51 7.446 -16.994 10.760 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.970 -14.381 10.923 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.842 -15.449 12.307 1.00 0.00 H new ATOM 0 HG LEU A 51 10.059 -16.161 9.619 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.178 -16.235 10.874 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.440 -14.616 10.919 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.326 -15.685 12.336 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.759 -18.249 10.725 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.852 -17.776 12.182 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.987 -18.099 10.660 1.00 0.00 H new ATOM 795 N SER A 52 5.869 -14.176 11.273 1.00 0.00 N ATOM 796 CA SER A 52 4.808 -13.542 12.047 1.00 0.00 C ATOM 797 C SER A 52 3.479 -14.261 11.835 1.00 0.00 C ATOM 798 O SER A 52 3.269 -14.907 10.808 1.00 0.00 O ATOM 799 CB SER A 52 4.673 -12.070 11.651 1.00 0.00 C ATOM 800 OG SER A 52 5.945 -11.477 11.454 1.00 0.00 O ATOM 0 H SER A 52 6.180 -13.639 10.464 1.00 0.00 H new ATOM 0 HA SER A 52 5.071 -13.606 13.103 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.085 -11.988 10.737 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.132 -11.529 12.428 1.00 0.00 H new ATOM 0 HG SER A 52 5.943 -10.568 11.821 1.00 0.00 H new ATOM 806 N PRO A 53 2.556 -14.159 12.808 1.00 0.00 N ATOM 807 CA PRO A 53 1.241 -14.803 12.721 1.00 0.00 C ATOM 808 C PRO A 53 0.420 -14.281 11.548 1.00 0.00 C ATOM 809 O PRO A 53 -0.429 -14.990 11.006 1.00 0.00 O ATOM 810 CB PRO A 53 0.567 -14.443 14.050 1.00 0.00 C ATOM 811 CG PRO A 53 1.307 -13.250 14.549 1.00 0.00 C ATOM 812 CD PRO A 53 2.720 -13.409 14.065 1.00 0.00 C ATOM 0 HA PRO A 53 1.328 -15.877 12.556 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.491 -14.220 13.908 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.627 -15.269 14.759 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.865 -12.329 14.168 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.271 -13.195 15.637 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.201 -12.445 13.900 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.334 -13.953 14.783 1.00 0.00 H new ATOM 820 N ALA A 54 0.679 -13.037 11.157 1.00 0.00 N ATOM 821 CA ALA A 54 -0.034 -12.420 10.046 1.00 0.00 C ATOM 822 C ALA A 54 0.923 -11.658 9.136 1.00 0.00 C ATOM 823 O ALA A 54 1.071 -10.441 9.254 1.00 0.00 O ATOM 824 CB ALA A 54 -1.123 -11.494 10.566 1.00 0.00 C ATOM 0 H ALA A 54 1.378 -12.437 11.594 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.498 -13.213 9.459 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.647 -11.040 9.725 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.829 -12.065 11.168 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.674 -10.712 11.178 1.00 0.00 H new ATOM 830 N PRO A 55 1.589 -12.369 8.211 1.00 0.00 N ATOM 831 CA PRO A 55 2.539 -11.757 7.275 1.00 0.00 C ATOM 832 C PRO A 55 1.940 -10.562 6.540 1.00 0.00 C ATOM 833 O PRO A 55 2.611 -9.553 6.327 1.00 0.00 O ATOM 834 CB PRO A 55 2.847 -12.888 6.292 1.00 0.00 C ATOM 835 CG PRO A 55 2.591 -14.140 7.059 1.00 0.00 C ATOM 836 CD PRO A 55 1.468 -13.824 8.006 1.00 0.00 C ATOM 0 HA PRO A 55 3.419 -11.366 7.785 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.211 -12.828 5.409 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.879 -12.841 5.945 1.00 0.00 H new ATOM 0 HG2 PRO A 55 2.320 -14.958 6.391 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.482 -14.454 7.602 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.499 -14.090 7.583 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.568 -14.371 8.944 1.00 0.00 H new ATOM 844 N SER A 56 0.675 -10.685 6.152 1.00 0.00 N ATOM 845 CA SER A 56 -0.013 -9.616 5.439 1.00 0.00 C ATOM 846 C SER A 56 -0.074 -8.347 6.284 1.00 0.00 C ATOM 847 O SER A 56 0.140 -7.244 5.780 1.00 0.00 O ATOM 848 CB SER A 56 -1.428 -10.057 5.058 1.00 0.00 C ATOM 849 OG SER A 56 -1.530 -11.470 5.027 1.00 0.00 O ATOM 0 H SER A 56 0.106 -11.515 6.320 1.00 0.00 H new ATOM 0 HA SER A 56 0.550 -9.399 4.531 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.144 -9.653 5.774 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.689 -9.649 4.082 1.00 0.00 H new ATOM 0 HG SER A 56 -1.807 -11.797 5.908 1.00 0.00 H new ATOM 855 N LYS A 57 -0.368 -8.510 7.569 1.00 0.00 N ATOM 856 CA LYS A 57 -0.458 -7.376 8.482 1.00 0.00 C ATOM 857 C LYS A 57 0.923 -6.789 8.760 1.00 0.00 C ATOM 858 O LYS A 57 1.076 -5.575 8.893 1.00 0.00 O ATOM 859 CB LYS A 57 -1.117 -7.802 9.795 1.00 0.00 C ATOM 860 CG LYS A 57 -2.004 -6.730 10.406 1.00 0.00 C ATOM 861 CD LYS A 57 -2.532 -7.152 11.768 1.00 0.00 C ATOM 862 CE LYS A 57 -2.828 -5.950 12.651 1.00 0.00 C ATOM 863 NZ LYS A 57 -2.134 -6.042 13.965 1.00 0.00 N ATOM 0 H LYS A 57 -0.548 -9.416 8.002 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.070 -6.609 8.008 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.713 -8.698 9.619 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.341 -8.071 10.511 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.440 -5.803 10.505 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.841 -6.525 9.738 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.439 -7.742 11.640 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.801 -7.794 12.259 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.518 -5.039 12.140 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.903 -5.874 12.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.362 -5.204 14.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.449 -6.898 14.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.106 -6.088 13.812 1.00 0.00 H new ATOM 877 N THR A 58 1.924 -7.658 8.846 1.00 0.00 N ATOM 878 CA THR A 58 3.292 -7.225 9.109 1.00 0.00 C ATOM 879 C THR A 58 3.887 -6.528 7.889 1.00 0.00 C ATOM 880 O THR A 58 4.725 -5.637 8.018 1.00 0.00 O ATOM 881 CB THR A 58 4.161 -8.420 9.501 1.00 0.00 C ATOM 882 OG1 THR A 58 3.501 -9.226 10.461 1.00 0.00 O ATOM 883 CG2 THR A 58 5.502 -8.021 10.081 1.00 0.00 C ATOM 0 H THR A 58 1.814 -8.666 8.738 1.00 0.00 H new ATOM 0 HA THR A 58 3.268 -6.515 9.935 1.00 0.00 H new ATOM 0 HB THR A 58 4.333 -8.968 8.575 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.786 -9.735 10.025 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.068 -8.916 10.338 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.058 -7.439 9.346 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.347 -7.421 10.977 1.00 0.00 H new ATOM 891 N LEU A 59 3.448 -6.941 6.704 1.00 0.00 N ATOM 892 CA LEU A 59 3.938 -6.357 5.461 1.00 0.00 C ATOM 893 C LEU A 59 3.648 -4.861 5.411 1.00 0.00 C ATOM 894 O LEU A 59 4.553 -4.048 5.222 1.00 0.00 O ATOM 895 CB LEU A 59 3.296 -7.053 4.258 1.00 0.00 C ATOM 896 CG LEU A 59 3.855 -6.639 2.895 1.00 0.00 C ATOM 897 CD1 LEU A 59 4.981 -7.572 2.477 1.00 0.00 C ATOM 898 CD2 LEU A 59 2.753 -6.629 1.848 1.00 0.00 C ATOM 0 H LEU A 59 2.754 -7.678 6.579 1.00 0.00 H new ATOM 0 HA LEU A 59 5.018 -6.501 5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.420 -8.130 4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.225 -6.852 4.270 1.00 0.00 H new ATOM 0 HG LEU A 59 4.258 -5.630 2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.367 -7.264 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.781 -7.530 3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.602 -8.592 2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.169 -6.332 0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.321 -7.626 1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.978 -5.921 2.142 1.00 0.00 H new ATOM 910 N MET A 60 2.379 -4.502 5.580 1.00 0.00 N ATOM 911 CA MET A 60 1.968 -3.103 5.553 1.00 0.00 C ATOM 912 C MET A 60 2.689 -2.300 6.632 1.00 0.00 C ATOM 913 O MET A 60 2.905 -1.097 6.483 1.00 0.00 O ATOM 914 CB MET A 60 0.454 -2.991 5.744 1.00 0.00 C ATOM 915 CG MET A 60 -0.348 -3.563 4.587 1.00 0.00 C ATOM 916 SD MET A 60 0.001 -2.735 3.024 1.00 0.00 S ATOM 917 CE MET A 60 -0.518 -3.988 1.854 1.00 0.00 C ATOM 0 H MET A 60 1.617 -5.162 5.737 1.00 0.00 H new ATOM 0 HA MET A 60 2.237 -2.691 4.580 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.172 -3.508 6.661 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.189 -1.942 5.875 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.128 -4.626 4.488 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.412 -3.477 4.810 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.323 -4.263 1.218 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.867 -4.868 2.394 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.327 -3.597 1.237 1.00 0.00 H new ATOM 927 N ASP A 61 3.060 -2.971 7.718 1.00 0.00 N ATOM 928 CA ASP A 61 3.756 -2.318 8.819 1.00 0.00 C ATOM 929 C ASP A 61 5.177 -1.939 8.416 1.00 0.00 C ATOM 930 O ASP A 61 5.726 -0.945 8.893 1.00 0.00 O ATOM 931 CB ASP A 61 3.787 -3.233 10.045 1.00 0.00 C ATOM 932 CG ASP A 61 3.584 -2.471 11.341 1.00 0.00 C ATOM 933 OD1 ASP A 61 2.453 -2.001 11.581 1.00 0.00 O ATOM 934 OD2 ASP A 61 4.557 -2.344 12.113 1.00 0.00 O ATOM 0 H ASP A 61 2.890 -3.967 7.858 1.00 0.00 H new ATOM 0 HA ASP A 61 3.214 -1.406 9.069 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.011 -3.992 9.948 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.743 -3.756 10.080 1.00 0.00 H new ATOM 939 N ASN A 62 5.767 -2.737 7.533 1.00 0.00 N ATOM 940 CA ASN A 62 7.126 -2.488 7.064 1.00 0.00 C ATOM 941 C ASN A 62 7.122 -1.555 5.857 1.00 0.00 C ATOM 942 O ASN A 62 8.061 -0.788 5.649 1.00 0.00 O ATOM 943 CB ASN A 62 7.811 -3.806 6.703 1.00 0.00 C ATOM 944 CG ASN A 62 8.457 -4.470 7.903 1.00 0.00 C ATOM 945 OD1 ASN A 62 9.650 -4.773 7.892 1.00 0.00 O ATOM 946 ND2 ASN A 62 7.668 -4.700 8.946 1.00 0.00 N ATOM 0 H ASN A 62 5.326 -3.562 7.127 1.00 0.00 H new ATOM 0 HA ASN A 62 7.681 -2.007 7.870 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.079 -4.485 6.266 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.569 -3.622 5.942 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.045 -5.145 9.783 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.685 -4.432 8.911 1.00 0.00 H new ATOM 953 N TYR A 63 6.059 -1.628 5.062 1.00 0.00 N ATOM 954 CA TYR A 63 5.932 -0.792 3.874 1.00 0.00 C ATOM 955 C TYR A 63 5.624 0.653 4.253 1.00 0.00 C ATOM 956 O TYR A 63 6.007 1.584 3.545 1.00 0.00 O ATOM 957 CB TYR A 63 4.835 -1.336 2.958 1.00 0.00 C ATOM 958 CG TYR A 63 4.796 -0.674 1.599 1.00 0.00 C ATOM 959 CD1 TYR A 63 5.859 -0.796 0.715 1.00 0.00 C ATOM 960 CD2 TYR A 63 3.693 0.073 1.202 1.00 0.00 C ATOM 961 CE1 TYR A 63 5.827 -0.192 -0.528 1.00 0.00 C ATOM 962 CE2 TYR A 63 3.654 0.680 -0.040 1.00 0.00 C ATOM 963 CZ TYR A 63 4.723 0.544 -0.900 1.00 0.00 C ATOM 964 OH TYR A 63 4.687 1.147 -2.137 1.00 0.00 O ATOM 0 H TYR A 63 5.273 -2.258 5.219 1.00 0.00 H new ATOM 0 HA TYR A 63 6.884 -0.813 3.343 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.982 -2.408 2.826 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.869 -1.204 3.445 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.726 -1.372 1.003 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.854 0.181 1.873 1.00 0.00 H new ATOM 0 HE1 TYR A 63 6.663 -0.296 -1.204 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.790 1.258 -0.335 1.00 0.00 H new ATOM 0 HH TYR A 63 4.752 2.119 -2.029 1.00 0.00 H new ATOM 974 N GLU A 64 4.928 0.833 5.371 1.00 0.00 N ATOM 975 CA GLU A 64 4.568 2.166 5.840 1.00 0.00 C ATOM 976 C GLU A 64 5.774 2.875 6.447 1.00 0.00 C ATOM 977 O GLU A 64 6.009 4.055 6.184 1.00 0.00 O ATOM 978 CB GLU A 64 3.441 2.079 6.871 1.00 0.00 C ATOM 979 CG GLU A 64 2.612 3.349 6.973 1.00 0.00 C ATOM 980 CD GLU A 64 1.205 3.088 7.474 1.00 0.00 C ATOM 981 OE1 GLU A 64 0.341 2.715 6.653 1.00 0.00 O ATOM 982 OE2 GLU A 64 0.967 3.257 8.689 1.00 0.00 O ATOM 0 H GLU A 64 4.602 0.073 5.968 1.00 0.00 H new ATOM 0 HA GLU A 64 4.224 2.744 4.983 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.786 1.247 6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.870 1.855 7.848 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.109 4.050 7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.563 3.826 5.994 1.00 0.00 H new ATOM 989 N VAL A 65 6.534 2.150 7.260 1.00 0.00 N ATOM 990 CA VAL A 65 7.717 2.712 7.903 1.00 0.00 C ATOM 991 C VAL A 65 8.797 3.039 6.876 1.00 0.00 C ATOM 992 O VAL A 65 9.609 3.941 7.082 1.00 0.00 O ATOM 993 CB VAL A 65 8.297 1.748 8.956 1.00 0.00 C ATOM 994 CG1 VAL A 65 9.461 2.394 9.694 1.00 0.00 C ATOM 995 CG2 VAL A 65 7.216 1.311 9.934 1.00 0.00 C ATOM 0 H VAL A 65 6.353 1.173 7.490 1.00 0.00 H new ATOM 0 HA VAL A 65 7.402 3.630 8.399 1.00 0.00 H new ATOM 0 HB VAL A 65 8.671 0.863 8.441 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.856 1.696 10.433 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.245 2.651 8.982 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.117 3.298 10.196 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.645 0.631 10.670 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.810 2.186 10.442 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.418 0.803 9.392 1.00 0.00 H new ATOM 1005 N SER A 66 8.801 2.300 5.771 1.00 0.00 N ATOM 1006 CA SER A 66 9.782 2.514 4.714 1.00 0.00 C ATOM 1007 C SER A 66 9.207 3.393 3.607 1.00 0.00 C ATOM 1008 O SER A 66 9.471 3.174 2.425 1.00 0.00 O ATOM 1009 CB SER A 66 10.235 1.174 4.133 1.00 0.00 C ATOM 1010 OG SER A 66 11.618 1.191 3.827 1.00 0.00 O ATOM 0 H SER A 66 8.137 1.549 5.585 1.00 0.00 H new ATOM 0 HA SER A 66 10.642 3.024 5.148 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.027 0.376 4.846 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.663 0.953 3.232 1.00 0.00 H new ATOM 0 HG SER A 66 11.882 0.322 3.459 1.00 0.00 H new ATOM 1016 N GLY A 67 8.421 4.391 3.998 1.00 0.00 N ATOM 1017 CA GLY A 67 7.822 5.288 3.028 1.00 0.00 C ATOM 1018 C GLY A 67 6.372 4.951 2.743 1.00 0.00 C ATOM 1019 O GLY A 67 5.463 5.619 3.237 1.00 0.00 O ATOM 0 H GLY A 67 8.188 4.594 4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.888 6.312 3.396 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.391 5.246 2.099 1.00 0.00 H new ATOM 1023 N GLY A 68 6.155 3.912 1.943 1.00 0.00 N ATOM 1024 CA GLY A 68 4.803 3.506 1.607 1.00 0.00 C ATOM 1025 C GLY A 68 4.052 4.571 0.831 1.00 0.00 C ATOM 1026 O GLY A 68 3.879 5.692 1.312 1.00 0.00 O ATOM 0 H GLY A 68 6.891 3.345 1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.838 2.589 1.018 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.258 3.276 2.523 1.00 0.00 H new ATOM 1030 N THR A 69 3.606 4.223 -0.371 1.00 0.00 N ATOM 1031 CA THR A 69 2.870 5.157 -1.214 1.00 0.00 C ATOM 1032 C THR A 69 1.618 4.502 -1.789 1.00 0.00 C ATOM 1033 O THR A 69 1.601 3.301 -2.057 1.00 0.00 O ATOM 1034 CB THR A 69 3.762 5.664 -2.348 1.00 0.00 C ATOM 1035 OG1 THR A 69 4.610 4.632 -2.818 1.00 0.00 O ATOM 1036 CG2 THR A 69 4.638 6.831 -1.945 1.00 0.00 C ATOM 0 H THR A 69 3.742 3.300 -0.783 1.00 0.00 H new ATOM 0 HA THR A 69 2.564 6.001 -0.596 1.00 0.00 H new ATOM 0 HB THR A 69 3.077 5.998 -3.127 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.172 4.975 -3.544 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.245 7.141 -2.796 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.011 7.663 -1.624 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.290 6.530 -1.125 1.00 0.00 H new ATOM 1044 N VAL A 70 0.572 5.299 -1.976 1.00 0.00 N ATOM 1045 CA VAL A 70 -0.685 4.797 -2.519 1.00 0.00 C ATOM 1046 C VAL A 70 -0.559 4.502 -4.010 1.00 0.00 C ATOM 1047 O VAL A 70 -1.215 3.601 -4.532 1.00 0.00 O ATOM 1048 CB VAL A 70 -1.833 5.800 -2.301 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -3.164 5.188 -2.711 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -1.874 6.263 -0.851 1.00 0.00 C ATOM 0 H VAL A 70 0.569 6.296 -1.760 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.914 3.874 -1.986 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.651 6.671 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.963 5.912 -2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.129 4.915 -3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.355 4.298 -2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.692 6.971 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.029 5.403 -0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.931 6.746 -0.597 1.00 0.00 H new ATOM 1060 N ARG A 71 0.288 5.268 -4.690 1.00 0.00 N ATOM 1061 CA ARG A 71 0.500 5.089 -6.122 1.00 0.00 C ATOM 1062 C ARG A 71 1.106 3.720 -6.416 1.00 0.00 C ATOM 1063 O ARG A 71 0.834 3.120 -7.456 1.00 0.00 O ATOM 1064 CB ARG A 71 1.411 6.190 -6.665 1.00 0.00 C ATOM 1065 CG ARG A 71 0.807 7.582 -6.571 1.00 0.00 C ATOM 1066 CD ARG A 71 1.231 8.456 -7.741 1.00 0.00 C ATOM 1067 NE ARG A 71 0.097 9.151 -8.344 1.00 0.00 N ATOM 1068 CZ ARG A 71 -0.897 8.534 -8.979 1.00 0.00 C ATOM 1069 NH1 ARG A 71 -0.900 7.211 -9.096 1.00 0.00 N ATOM 1070 NH2 ARG A 71 -1.891 9.241 -9.500 1.00 0.00 N ATOM 0 H ARG A 71 0.839 6.018 -4.273 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.469 5.151 -6.618 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.353 6.174 -6.116 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.646 5.975 -7.707 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.280 7.507 -6.547 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.114 8.050 -5.636 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.965 9.187 -7.400 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.721 7.840 -8.495 1.00 0.00 H new ATOM 0 HE ARG A 71 0.065 10.168 -8.275 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.138 6.662 -8.698 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.664 6.744 -9.584 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.894 10.257 -9.414 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.653 8.768 -9.987 1.00 0.00 H new ATOM 1084 N GLU A 72 1.929 3.233 -5.494 1.00 0.00 N ATOM 1085 CA GLU A 72 2.574 1.935 -5.655 1.00 0.00 C ATOM 1086 C GLU A 72 1.633 0.805 -5.250 1.00 0.00 C ATOM 1087 O GLU A 72 1.654 -0.275 -5.841 1.00 0.00 O ATOM 1088 CB GLU A 72 3.855 1.871 -4.820 1.00 0.00 C ATOM 1089 CG GLU A 72 5.004 2.673 -5.407 1.00 0.00 C ATOM 1090 CD GLU A 72 5.304 2.295 -6.844 1.00 0.00 C ATOM 1091 OE1 GLU A 72 5.317 1.084 -7.150 1.00 0.00 O ATOM 1092 OE2 GLU A 72 5.526 3.210 -7.665 1.00 0.00 O ATOM 0 H GLU A 72 2.165 3.717 -4.628 1.00 0.00 H new ATOM 0 HA GLU A 72 2.828 1.812 -6.708 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.643 2.238 -3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.163 0.830 -4.721 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.764 3.735 -5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.897 2.519 -4.801 1.00 0.00 H new ATOM 1099 N LEU A 73 0.809 1.060 -4.239 1.00 0.00 N ATOM 1100 CA LEU A 73 -0.140 0.064 -3.757 1.00 0.00 C ATOM 1101 C LEU A 73 -1.210 -0.222 -4.804 1.00 0.00 C ATOM 1102 O LEU A 73 -1.561 -1.377 -5.048 1.00 0.00 O ATOM 1103 CB LEU A 73 -0.794 0.540 -2.458 1.00 0.00 C ATOM 1104 CG LEU A 73 -1.552 -0.538 -1.682 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -0.601 -1.633 -1.225 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -2.277 0.073 -0.493 1.00 0.00 C ATOM 0 H LEU A 73 0.780 1.948 -3.738 1.00 0.00 H new ATOM 0 HA LEU A 73 0.407 -0.859 -3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.021 0.956 -1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.484 1.351 -2.692 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.294 -0.983 -2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.157 -2.392 -0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.127 -2.090 -2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.164 -1.204 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.811 -0.708 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.553 0.545 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.987 0.821 -0.845 1.00 0.00 H new ATOM 1118 N VAL A 74 -1.725 0.836 -5.421 1.00 0.00 N ATOM 1119 CA VAL A 74 -2.756 0.699 -6.443 1.00 0.00 C ATOM 1120 C VAL A 74 -2.203 0.020 -7.691 1.00 0.00 C ATOM 1121 O VAL A 74 -2.882 -0.788 -8.323 1.00 0.00 O ATOM 1122 CB VAL A 74 -3.347 2.067 -6.834 1.00 0.00 C ATOM 1123 CG1 VAL A 74 -4.524 1.891 -7.783 1.00 0.00 C ATOM 1124 CG2 VAL A 74 -3.765 2.843 -5.594 1.00 0.00 C ATOM 0 H VAL A 74 -1.445 1.798 -5.231 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.546 0.081 -6.015 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.576 2.639 -7.351 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.928 2.868 -8.047 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.190 1.380 -8.686 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.298 1.298 -7.296 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.180 3.806 -5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.518 2.276 -5.047 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.897 3.003 -4.955 1.00 0.00 H new ATOM 1134 N GLU A 75 -0.965 0.356 -8.042 1.00 0.00 N ATOM 1135 CA GLU A 75 -0.321 -0.220 -9.216 1.00 0.00 C ATOM 1136 C GLU A 75 0.081 -1.669 -8.961 1.00 0.00 C ATOM 1137 O GLU A 75 -0.141 -2.543 -9.799 1.00 0.00 O ATOM 1138 CB GLU A 75 0.910 0.603 -9.602 1.00 0.00 C ATOM 1139 CG GLU A 75 0.615 1.699 -10.613 1.00 0.00 C ATOM 1140 CD GLU A 75 1.728 1.870 -11.628 1.00 0.00 C ATOM 1141 OE1 GLU A 75 1.905 0.968 -12.473 1.00 0.00 O ATOM 1142 OE2 GLU A 75 2.423 2.907 -11.579 1.00 0.00 O ATOM 0 H GLU A 75 -0.389 1.024 -7.530 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.036 -0.201 -10.038 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.333 1.053 -8.704 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.669 -0.064 -10.012 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.314 1.468 -11.134 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.460 2.641 -10.087 1.00 0.00 H new ATOM 1149 N ALA A 76 0.673 -1.917 -7.797 1.00 0.00 N ATOM 1150 CA ALA A 76 1.106 -3.261 -7.432 1.00 0.00 C ATOM 1151 C ALA A 76 -0.077 -4.221 -7.377 1.00 0.00 C ATOM 1152 O ALA A 76 0.026 -5.373 -7.800 1.00 0.00 O ATOM 1153 CB ALA A 76 1.830 -3.236 -6.095 1.00 0.00 C ATOM 0 H ALA A 76 0.864 -1.206 -7.091 1.00 0.00 H new ATOM 0 HA ALA A 76 1.794 -3.616 -8.199 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.148 -4.246 -5.834 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.703 -2.588 -6.166 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.159 -2.857 -5.325 1.00 0.00 H new ATOM 1159 N LEU A 77 -1.199 -3.741 -6.853 1.00 0.00 N ATOM 1160 CA LEU A 77 -2.403 -4.557 -6.744 1.00 0.00 C ATOM 1161 C LEU A 77 -2.959 -4.896 -8.123 1.00 0.00 C ATOM 1162 O LEU A 77 -3.572 -5.947 -8.316 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.465 -3.830 -5.918 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.241 -3.858 -4.405 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.180 -2.886 -3.708 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -3.431 -5.268 -3.866 1.00 0.00 C ATOM 0 H LEU A 77 -1.300 -2.791 -6.497 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.136 -5.487 -6.242 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.508 -2.791 -6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.437 -4.273 -6.134 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.216 -3.548 -4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.006 -2.920 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.995 -1.876 -4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.213 -3.164 -3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.268 -5.271 -2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.445 -5.606 -4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.716 -5.939 -4.343 1.00 0.00 H new ATOM 1178 N ARG A 78 -2.741 -4.000 -9.081 1.00 0.00 N ATOM 1179 CA ARG A 78 -3.220 -4.205 -10.443 1.00 0.00 C ATOM 1180 C ARG A 78 -2.352 -5.225 -11.175 1.00 0.00 C ATOM 1181 O ARG A 78 -2.834 -5.959 -12.038 1.00 0.00 O ATOM 1182 CB ARG A 78 -3.231 -2.880 -11.208 1.00 0.00 C ATOM 1183 CG ARG A 78 -4.461 -2.692 -12.080 1.00 0.00 C ATOM 1184 CD ARG A 78 -4.336 -1.458 -12.959 1.00 0.00 C ATOM 1185 NE ARG A 78 -3.460 -1.688 -14.104 1.00 0.00 N ATOM 1186 CZ ARG A 78 -3.186 -0.767 -15.025 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -3.719 0.446 -14.941 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -2.378 -1.060 -16.036 1.00 0.00 N ATOM 0 H ARG A 78 -2.236 -3.125 -8.939 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.238 -4.592 -10.391 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.172 -2.058 -10.495 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.340 -2.824 -11.834 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.603 -3.573 -12.706 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.346 -2.603 -11.449 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.324 -1.163 -13.312 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.948 -0.629 -12.367 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.033 -2.609 -14.204 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.342 0.677 -14.167 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.505 1.147 -15.650 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.967 -1.991 -16.107 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.168 -0.354 -16.742 1.00 0.00 H new ATOM 1202 N GLN A 79 -1.071 -5.263 -10.824 1.00 0.00 N ATOM 1203 CA GLN A 79 -0.136 -6.193 -11.447 1.00 0.00 C ATOM 1204 C GLN A 79 -0.469 -7.632 -11.071 1.00 0.00 C ATOM 1205 O GLN A 79 -0.345 -8.543 -11.890 1.00 0.00 O ATOM 1206 CB GLN A 79 1.298 -5.863 -11.029 1.00 0.00 C ATOM 1207 CG GLN A 79 1.783 -4.512 -11.529 1.00 0.00 C ATOM 1208 CD GLN A 79 3.291 -4.450 -11.672 1.00 0.00 C ATOM 1209 OE1 GLN A 79 3.925 -5.413 -12.101 1.00 0.00 O ATOM 1210 NE2 GLN A 79 3.873 -3.312 -11.312 1.00 0.00 N ATOM 0 H GLN A 79 -0.657 -4.661 -10.112 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.225 -6.089 -12.528 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.364 -5.883 -9.941 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.964 -6.640 -11.403 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.321 -4.298 -12.493 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.455 -3.734 -10.839 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.308 -2.539 -10.961 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.885 -3.211 -11.386 1.00 0.00 H new ATOM 1219 N MET A 80 -0.895 -7.830 -9.828 1.00 0.00 N ATOM 1220 CA MET A 80 -1.246 -9.159 -9.342 1.00 0.00 C ATOM 1221 C MET A 80 -2.596 -9.601 -9.898 1.00 0.00 C ATOM 1222 O MET A 80 -2.813 -10.783 -10.164 1.00 0.00 O ATOM 1223 CB MET A 80 -1.283 -9.172 -7.813 1.00 0.00 C ATOM 1224 CG MET A 80 0.032 -8.768 -7.169 1.00 0.00 C ATOM 1225 SD MET A 80 -0.179 -8.141 -5.492 1.00 0.00 S ATOM 1226 CE MET A 80 -1.121 -9.472 -4.750 1.00 0.00 C ATOM 0 H MET A 80 -1.006 -7.086 -9.139 1.00 0.00 H new ATOM 0 HA MET A 80 -0.484 -9.858 -9.686 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.068 -8.497 -7.471 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.552 -10.172 -7.473 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.702 -9.628 -7.150 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.512 -8.004 -7.781 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.270 -9.265 -3.690 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.089 -9.552 -5.244 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.577 -10.410 -4.864 1.00 0.00 H new ATOM 1236 N GLY A 81 -3.500 -8.642 -10.072 1.00 0.00 N ATOM 1237 CA GLY A 81 -4.818 -8.952 -10.597 1.00 0.00 C ATOM 1238 C GLY A 81 -5.920 -8.699 -9.586 1.00 0.00 C ATOM 1239 O GLY A 81 -6.976 -9.330 -9.640 1.00 0.00 O ATOM 0 H GLY A 81 -3.344 -7.657 -9.859 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.001 -8.351 -11.488 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.846 -9.997 -10.906 1.00 0.00 H new ATOM 1243 N TYR A 82 -5.676 -7.775 -8.663 1.00 0.00 N ATOM 1244 CA TYR A 82 -6.658 -7.440 -7.638 1.00 0.00 C ATOM 1245 C TYR A 82 -7.619 -6.366 -8.137 1.00 0.00 C ATOM 1246 O TYR A 82 -7.197 -5.334 -8.657 1.00 0.00 O ATOM 1247 CB TYR A 82 -5.955 -6.964 -6.365 1.00 0.00 C ATOM 1248 CG TYR A 82 -5.847 -8.030 -5.297 1.00 0.00 C ATOM 1249 CD1 TYR A 82 -6.985 -8.600 -4.739 1.00 0.00 C ATOM 1250 CD2 TYR A 82 -4.607 -8.467 -4.849 1.00 0.00 C ATOM 1251 CE1 TYR A 82 -6.890 -9.574 -3.764 1.00 0.00 C ATOM 1252 CE2 TYR A 82 -4.504 -9.442 -3.874 1.00 0.00 C ATOM 1253 CZ TYR A 82 -5.648 -9.992 -3.335 1.00 0.00 C ATOM 1254 OH TYR A 82 -5.550 -10.961 -2.364 1.00 0.00 O ATOM 0 H TYR A 82 -4.807 -7.245 -8.604 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.233 -8.338 -7.412 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.954 -6.616 -6.621 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.496 -6.109 -5.959 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.960 -8.276 -5.073 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.709 -8.038 -5.269 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.784 -10.006 -3.340 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.532 -9.771 -3.536 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.448 -11.253 -2.101 1.00 0.00 H new ATOM 1264 N THR A 83 -8.914 -6.617 -7.974 1.00 0.00 N ATOM 1265 CA THR A 83 -9.936 -5.670 -8.409 1.00 0.00 C ATOM 1266 C THR A 83 -10.632 -5.032 -7.211 1.00 0.00 C ATOM 1267 O THR A 83 -10.973 -3.850 -7.236 1.00 0.00 O ATOM 1268 CB THR A 83 -10.965 -6.371 -9.296 1.00 0.00 C ATOM 1269 OG1 THR A 83 -10.362 -7.427 -10.024 1.00 0.00 O ATOM 1270 CG2 THR A 83 -11.626 -5.445 -10.294 1.00 0.00 C ATOM 0 H THR A 83 -9.281 -7.466 -7.545 1.00 0.00 H new ATOM 0 HA THR A 83 -9.446 -4.884 -8.983 1.00 0.00 H new ATOM 0 HB THR A 83 -11.727 -6.746 -8.613 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.036 -7.865 -10.584 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.345 -6.007 -10.891 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.142 -4.646 -9.762 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.868 -5.015 -10.949 1.00 0.00 H new ATOM 1278 N GLU A 84 -10.840 -5.822 -6.163 1.00 0.00 N ATOM 1279 CA GLU A 84 -11.496 -5.334 -4.956 1.00 0.00 C ATOM 1280 C GLU A 84 -10.526 -4.528 -4.096 1.00 0.00 C ATOM 1281 O GLU A 84 -10.926 -3.594 -3.401 1.00 0.00 O ATOM 1282 CB GLU A 84 -12.064 -6.506 -4.149 1.00 0.00 C ATOM 1283 CG GLU A 84 -13.559 -6.404 -3.900 1.00 0.00 C ATOM 1284 CD GLU A 84 -14.093 -7.562 -3.077 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -13.941 -7.529 -1.838 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -14.661 -8.500 -3.674 1.00 0.00 O ATOM 0 H GLU A 84 -10.564 -6.803 -6.125 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.314 -4.679 -5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.855 -7.436 -4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.547 -6.561 -3.191 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.775 -5.467 -3.386 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.082 -6.371 -4.856 1.00 0.00 H new ATOM 1293 N ALA A 85 -9.250 -4.897 -4.148 1.00 0.00 N ATOM 1294 CA ALA A 85 -8.225 -4.209 -3.373 1.00 0.00 C ATOM 1295 C ALA A 85 -8.051 -2.770 -3.846 1.00 0.00 C ATOM 1296 O ALA A 85 -7.811 -1.867 -3.044 1.00 0.00 O ATOM 1297 CB ALA A 85 -6.904 -4.959 -3.463 1.00 0.00 C ATOM 0 H ALA A 85 -8.902 -5.668 -4.718 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.547 -4.185 -2.332 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.147 -4.434 -2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.031 -5.968 -3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.586 -5.013 -4.504 1.00 0.00 H new ATOM 1303 N ILE A 86 -8.174 -2.564 -5.154 1.00 0.00 N ATOM 1304 CA ILE A 86 -8.030 -1.234 -5.733 1.00 0.00 C ATOM 1305 C ILE A 86 -9.259 -0.375 -5.452 1.00 0.00 C ATOM 1306 O ILE A 86 -9.157 0.843 -5.307 1.00 0.00 O ATOM 1307 CB ILE A 86 -7.806 -1.306 -7.256 1.00 0.00 C ATOM 1308 CG1 ILE A 86 -6.701 -2.312 -7.584 1.00 0.00 C ATOM 1309 CG2 ILE A 86 -7.460 0.069 -7.807 1.00 0.00 C ATOM 1310 CD1 ILE A 86 -6.498 -2.524 -9.068 1.00 0.00 C ATOM 0 H ILE A 86 -8.373 -3.300 -5.831 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.157 -0.779 -5.265 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.729 -1.642 -7.728 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.765 -1.968 -7.143 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.941 -3.268 -7.118 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.305 0.001 -8.884 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.278 0.760 -7.601 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.549 0.433 -7.331 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.700 -3.249 -9.226 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.421 -2.898 -9.512 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.227 -1.578 -9.537 1.00 0.00 H new ATOM 1322 N GLU A 87 -10.418 -1.019 -5.376 1.00 0.00 N ATOM 1323 CA GLU A 87 -11.668 -0.314 -5.113 1.00 0.00 C ATOM 1324 C GLU A 87 -11.676 0.271 -3.704 1.00 0.00 C ATOM 1325 O GLU A 87 -12.220 1.351 -3.472 1.00 0.00 O ATOM 1326 CB GLU A 87 -12.858 -1.257 -5.293 1.00 0.00 C ATOM 1327 CG GLU A 87 -13.153 -1.595 -6.745 1.00 0.00 C ATOM 1328 CD GLU A 87 -14.286 -2.593 -6.892 1.00 0.00 C ATOM 1329 OE1 GLU A 87 -14.130 -3.740 -6.427 1.00 0.00 O ATOM 1330 OE2 GLU A 87 -15.329 -2.225 -7.473 1.00 0.00 O ATOM 0 H GLU A 87 -10.519 -2.027 -5.493 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.752 0.505 -5.828 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.665 -2.180 -4.746 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.742 -0.801 -4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.406 -0.681 -7.283 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.254 -2.000 -7.210 1.00 0.00 H new ATOM 1337 N VAL A 88 -11.072 -0.449 -2.765 1.00 0.00 N ATOM 1338 CA VAL A 88 -11.010 -0.003 -1.378 1.00 0.00 C ATOM 1339 C VAL A 88 -10.247 1.313 -1.257 1.00 0.00 C ATOM 1340 O VAL A 88 -10.528 2.125 -0.377 1.00 0.00 O ATOM 1341 CB VAL A 88 -10.338 -1.057 -0.477 1.00 0.00 C ATOM 1342 CG1 VAL A 88 -10.437 -0.653 0.986 1.00 0.00 C ATOM 1343 CG2 VAL A 88 -10.960 -2.428 -0.703 1.00 0.00 C ATOM 0 H VAL A 88 -10.618 -1.345 -2.940 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.038 0.144 -1.048 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.282 -1.114 -0.742 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.957 -1.410 1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -9.939 0.306 1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.486 -0.565 1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.473 -3.159 -0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.024 -2.388 -0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.830 -2.719 -1.745 1.00 0.00 H new ATOM 1353 N ILE A 89 -9.282 1.516 -2.148 1.00 0.00 N ATOM 1354 CA ILE A 89 -8.480 2.734 -2.139 1.00 0.00 C ATOM 1355 C ILE A 89 -9.100 3.806 -3.029 1.00 0.00 C ATOM 1356 O ILE A 89 -9.260 4.953 -2.615 1.00 0.00 O ATOM 1357 CB ILE A 89 -7.038 2.461 -2.611 1.00 0.00 C ATOM 1358 CG1 ILE A 89 -6.436 1.285 -1.839 1.00 0.00 C ATOM 1359 CG2 ILE A 89 -6.179 3.706 -2.441 1.00 0.00 C ATOM 1360 CD1 ILE A 89 -5.613 0.353 -2.701 1.00 0.00 C ATOM 0 H ILE A 89 -9.037 0.854 -2.884 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.456 3.090 -1.109 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.064 2.201 -3.669 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -5.809 1.671 -1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.241 0.718 -1.371 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.164 3.497 -2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.598 4.520 -3.032 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.159 3.994 -1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.218 -0.456 -2.087 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -6.241 -0.063 -3.489 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.787 0.906 -3.148 1.00 0.00 H new ATOM 1372 N GLN A 90 -9.450 3.423 -4.253 1.00 0.00 N ATOM 1373 CA GLN A 90 -10.054 4.352 -5.200 1.00 0.00 C ATOM 1374 C GLN A 90 -11.362 4.914 -4.653 1.00 0.00 C ATOM 1375 O GLN A 90 -11.661 6.095 -4.822 1.00 0.00 O ATOM 1376 CB GLN A 90 -10.305 3.655 -6.540 1.00 0.00 C ATOM 1377 CG GLN A 90 -9.151 3.787 -7.520 1.00 0.00 C ATOM 1378 CD GLN A 90 -9.452 3.149 -8.862 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -10.595 3.148 -9.320 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -8.424 2.603 -9.501 1.00 0.00 N ATOM 0 H GLN A 90 -9.326 2.476 -4.612 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.360 5.179 -5.352 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -10.498 2.598 -6.359 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.205 4.071 -6.993 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.922 4.843 -7.667 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.261 3.324 -7.093 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.493 2.627 -9.084 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.565 2.160 -10.409 1.00 0.00 H new ATOM 1389 N ALA A 91 -12.139 4.057 -3.997 1.00 0.00 N ATOM 1390 CA ALA A 91 -13.415 4.467 -3.425 1.00 0.00 C ATOM 1391 C ALA A 91 -13.215 5.484 -2.306 1.00 0.00 C ATOM 1392 O ALA A 91 -13.853 6.536 -2.289 1.00 0.00 O ATOM 1393 CB ALA A 91 -14.176 3.255 -2.909 1.00 0.00 C ATOM 0 H ALA A 91 -11.906 3.075 -3.849 1.00 0.00 H new ATOM 0 HA ALA A 91 -14.001 4.943 -4.212 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -15.127 3.576 -2.484 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.361 2.564 -3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -13.586 2.755 -2.141 1.00 0.00 H new