USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 704 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc=-0.00717 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 CYS SG : rot 180:sc= -2.35! USER MOD Single : A 27 GLN : amide:sc= -5.59! C(o=-5.6!,f=-3.3!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 33 CYS SG : rot 180:sc= -0.423 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 2:sc= 0.182 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -3.44 K(o=-3.4,f=-1.8) USER MOD Single : A 50 GLN : amide:sc=-9.65e-05 X(o=-9.7e-05,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -147:sc= -1.37! USER MOD Single : A 58 THR OG1 : rot 31:sc= 0.107 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.243 X(o=-0.24,f=-0.0045) USER MOD Single : A 69 GLN : amide:sc= -0.16 K(o=-0.16,f=-2.4!) USER MOD Single : A 76 HIS : no HD1:sc= -1.58! K(o=-1.6!,f=-0.71) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -77:sc= 0.379 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot 116:sc= 0.193 USER MOD Single : A 85 ASN : amide:sc= -5.99! C(o=-6!,f=-23!) USER MOD Single : A 89 GLN : amide:sc= -2.14 X(o=-2.1,f=-2.3) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot 180:sc= -0.72 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -2.51 X(o=-2.5,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.110 1.802 -4.035 1.00 0.00 N ATOM 2 CA GLY A 1 31.873 2.240 -2.880 1.00 0.00 C ATOM 3 C GLY A 1 31.820 3.743 -2.687 1.00 0.00 C ATOM 4 O GLY A 1 32.249 4.502 -3.556 1.00 0.00 O ATOM 0 H1 GLY A 1 31.178 0.768 -4.124 1.00 0.00 H new ATOM 0 H2 GLY A 1 30.113 2.075 -3.917 1.00 0.00 H new ATOM 0 H3 GLY A 1 31.492 2.249 -4.893 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.489 1.748 -1.986 1.00 0.00 H new ATOM 0 HA3 GLY A 1 32.911 1.928 -2.994 1.00 0.00 H new ATOM 8 N SER A 2 31.292 4.173 -1.546 1.00 0.00 N ATOM 9 CA SER A 2 31.179 5.595 -1.244 1.00 0.00 C ATOM 10 C SER A 2 31.652 5.888 0.177 1.00 0.00 C ATOM 11 O SER A 2 31.610 5.019 1.048 1.00 0.00 O ATOM 12 CB SER A 2 29.733 6.062 -1.418 1.00 0.00 C ATOM 13 OG SER A 2 28.888 5.484 -0.438 1.00 0.00 O ATOM 0 H SER A 2 30.936 3.557 -0.815 1.00 0.00 H new ATOM 0 HA SER A 2 31.816 6.140 -1.940 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.688 7.149 -1.346 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.378 5.793 -2.413 1.00 0.00 H new ATOM 0 HG SER A 2 27.970 5.800 -0.570 1.00 0.00 H new ATOM 19 N SER A 3 32.103 7.118 0.402 1.00 0.00 N ATOM 20 CA SER A 3 32.588 7.525 1.715 1.00 0.00 C ATOM 21 C SER A 3 31.620 8.504 2.372 1.00 0.00 C ATOM 22 O SER A 3 30.966 9.297 1.696 1.00 0.00 O ATOM 23 CB SER A 3 33.973 8.164 1.595 1.00 0.00 C ATOM 24 OG SER A 3 34.465 8.558 2.864 1.00 0.00 O ATOM 0 H SER A 3 32.142 7.849 -0.308 1.00 0.00 H new ATOM 0 HA SER A 3 32.659 6.635 2.341 1.00 0.00 H new ATOM 0 HB2 SER A 3 34.665 7.457 1.137 1.00 0.00 H new ATOM 0 HB3 SER A 3 33.921 9.031 0.937 1.00 0.00 H new ATOM 0 HG SER A 3 35.352 8.962 2.760 1.00 0.00 H new ATOM 30 N GLY A 4 31.533 8.442 3.698 1.00 0.00 N ATOM 31 CA GLY A 4 30.643 9.328 4.425 1.00 0.00 C ATOM 32 C GLY A 4 29.453 8.597 5.015 1.00 0.00 C ATOM 33 O GLY A 4 29.426 8.305 6.211 1.00 0.00 O ATOM 0 H GLY A 4 32.063 7.794 4.281 1.00 0.00 H new ATOM 0 HA2 GLY A 4 31.197 9.819 5.225 1.00 0.00 H new ATOM 0 HA3 GLY A 4 30.289 10.112 3.755 1.00 0.00 H new ATOM 37 N SER A 5 28.466 8.301 4.176 1.00 0.00 N ATOM 38 CA SER A 5 27.265 7.604 4.622 1.00 0.00 C ATOM 39 C SER A 5 26.790 6.611 3.567 1.00 0.00 C ATOM 40 O SER A 5 27.348 6.536 2.472 1.00 0.00 O ATOM 41 CB SER A 5 26.153 8.608 4.932 1.00 0.00 C ATOM 42 OG SER A 5 25.887 9.436 3.813 1.00 0.00 O ATOM 0 H SER A 5 28.474 8.533 3.183 1.00 0.00 H new ATOM 0 HA SER A 5 27.510 7.053 5.530 1.00 0.00 H new ATOM 0 HB2 SER A 5 25.246 8.075 5.217 1.00 0.00 H new ATOM 0 HB3 SER A 5 26.442 9.224 5.784 1.00 0.00 H new ATOM 0 HG SER A 5 25.172 10.068 4.036 1.00 0.00 H new ATOM 48 N SER A 6 25.754 5.850 3.904 1.00 0.00 N ATOM 49 CA SER A 6 25.204 4.857 2.988 1.00 0.00 C ATOM 50 C SER A 6 23.913 4.263 3.542 1.00 0.00 C ATOM 51 O SER A 6 23.773 4.070 4.749 1.00 0.00 O ATOM 52 CB SER A 6 26.223 3.745 2.735 1.00 0.00 C ATOM 53 OG SER A 6 26.386 2.932 3.884 1.00 0.00 O ATOM 0 H SER A 6 25.278 5.902 4.805 1.00 0.00 H new ATOM 0 HA SER A 6 24.979 5.355 2.045 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.896 3.132 1.895 1.00 0.00 H new ATOM 0 HB3 SER A 6 27.182 4.182 2.456 1.00 0.00 H new ATOM 0 HG SER A 6 27.041 2.228 3.696 1.00 0.00 H new ATOM 59 N GLY A 7 22.970 3.975 2.650 1.00 0.00 N ATOM 60 CA GLY A 7 21.702 3.406 3.067 1.00 0.00 C ATOM 61 C GLY A 7 21.372 2.122 2.331 1.00 0.00 C ATOM 62 O GLY A 7 21.366 2.089 1.101 1.00 0.00 O ATOM 0 H GLY A 7 23.062 4.126 1.645 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.730 3.210 4.139 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.908 4.133 2.897 1.00 0.00 H new ATOM 66 N MET A 8 21.098 1.063 3.085 1.00 0.00 N ATOM 67 CA MET A 8 20.766 -0.229 2.495 1.00 0.00 C ATOM 68 C MET A 8 19.258 -0.374 2.317 1.00 0.00 C ATOM 69 O MET A 8 18.484 -0.041 3.214 1.00 0.00 O ATOM 70 CB MET A 8 21.300 -1.365 3.370 1.00 0.00 C ATOM 71 CG MET A 8 20.639 -1.441 4.737 1.00 0.00 C ATOM 72 SD MET A 8 20.994 -2.987 5.594 1.00 0.00 S ATOM 73 CE MET A 8 22.495 -2.553 6.469 1.00 0.00 C ATOM 0 H MET A 8 21.099 1.074 4.105 1.00 0.00 H new ATOM 0 HA MET A 8 21.236 -0.284 1.513 1.00 0.00 H new ATOM 0 HB2 MET A 8 21.153 -2.312 2.851 1.00 0.00 H new ATOM 0 HB3 MET A 8 22.374 -1.237 3.502 1.00 0.00 H new ATOM 0 HG2 MET A 8 20.979 -0.605 5.348 1.00 0.00 H new ATOM 0 HG3 MET A 8 19.561 -1.333 4.621 1.00 0.00 H new ATOM 0 HE1 MET A 8 22.840 -3.410 7.047 1.00 0.00 H new ATOM 0 HE2 MET A 8 23.264 -2.266 5.752 1.00 0.00 H new ATOM 0 HE3 MET A 8 22.296 -1.718 7.141 1.00 0.00 H new ATOM 83 N GLU A 9 18.849 -0.872 1.155 1.00 0.00 N ATOM 84 CA GLU A 9 17.433 -1.059 0.861 1.00 0.00 C ATOM 85 C GLU A 9 16.770 -1.940 1.916 1.00 0.00 C ATOM 86 O GLU A 9 17.441 -2.511 2.775 1.00 0.00 O ATOM 87 CB GLU A 9 17.255 -1.683 -0.525 1.00 0.00 C ATOM 88 CG GLU A 9 17.692 -0.775 -1.662 1.00 0.00 C ATOM 89 CD GLU A 9 19.200 -0.705 -1.806 1.00 0.00 C ATOM 90 OE1 GLU A 9 19.828 0.107 -1.095 1.00 0.00 O ATOM 91 OE2 GLU A 9 19.753 -1.464 -2.630 1.00 0.00 O ATOM 0 H GLU A 9 19.477 -1.153 0.402 1.00 0.00 H new ATOM 0 HA GLU A 9 16.953 -0.080 0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.825 -2.611 -0.572 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.206 -1.946 -0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.258 -1.133 -2.595 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.300 0.228 -1.492 1.00 0.00 H new ATOM 98 N VAL A 10 15.446 -2.044 1.845 1.00 0.00 N ATOM 99 CA VAL A 10 14.691 -2.854 2.793 1.00 0.00 C ATOM 100 C VAL A 10 13.596 -3.647 2.088 1.00 0.00 C ATOM 101 O VAL A 10 13.279 -3.390 0.927 1.00 0.00 O ATOM 102 CB VAL A 10 14.054 -1.984 3.892 1.00 0.00 C ATOM 103 CG1 VAL A 10 15.079 -1.638 4.961 1.00 0.00 C ATOM 104 CG2 VAL A 10 13.451 -0.724 3.291 1.00 0.00 C ATOM 0 H VAL A 10 14.875 -1.577 1.141 1.00 0.00 H new ATOM 0 HA VAL A 10 15.398 -3.545 3.252 1.00 0.00 H new ATOM 0 HB VAL A 10 13.253 -2.553 4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.610 -1.023 5.729 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.458 -2.555 5.412 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.904 -1.088 4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.005 -0.121 4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 10 14.231 -0.149 2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.683 -0.998 2.567 1.00 0.00 H new ATOM 114 N ALA A 11 13.021 -4.612 2.798 1.00 0.00 N ATOM 115 CA ALA A 11 11.959 -5.441 2.242 1.00 0.00 C ATOM 116 C ALA A 11 10.590 -4.815 2.485 1.00 0.00 C ATOM 117 O ALA A 11 10.388 -4.052 3.430 1.00 0.00 O ATOM 118 CB ALA A 11 12.015 -6.840 2.837 1.00 0.00 C ATOM 0 H ALA A 11 13.273 -4.839 3.760 1.00 0.00 H new ATOM 0 HA ALA A 11 12.112 -5.510 1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.216 -7.448 2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.978 -7.295 2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.891 -6.781 3.918 1.00 0.00 H new ATOM 124 N PRO A 12 9.625 -5.144 1.613 1.00 0.00 N ATOM 125 CA PRO A 12 8.258 -4.625 1.713 1.00 0.00 C ATOM 126 C PRO A 12 7.506 -5.196 2.911 1.00 0.00 C ATOM 127 O PRO A 12 7.654 -6.372 3.245 1.00 0.00 O ATOM 128 CB PRO A 12 7.608 -5.084 0.405 1.00 0.00 C ATOM 129 CG PRO A 12 8.384 -6.288 -0.001 1.00 0.00 C ATOM 130 CD PRO A 12 9.794 -6.048 0.464 1.00 0.00 C ATOM 0 HA PRO A 12 8.242 -3.545 1.857 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.554 -5.322 0.549 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.658 -4.306 -0.356 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.972 -7.189 0.453 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.348 -6.430 -1.081 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.286 -6.977 0.753 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.403 -5.595 -0.318 1.00 0.00 H new ATOM 138 N SER A 13 6.700 -4.357 3.553 1.00 0.00 N ATOM 139 CA SER A 13 5.928 -4.778 4.716 1.00 0.00 C ATOM 140 C SER A 13 4.662 -3.938 4.861 1.00 0.00 C ATOM 141 O SER A 13 4.526 -2.887 4.235 1.00 0.00 O ATOM 142 CB SER A 13 6.775 -4.668 5.984 1.00 0.00 C ATOM 143 OG SER A 13 7.873 -5.563 5.944 1.00 0.00 O ATOM 0 H SER A 13 6.565 -3.382 3.287 1.00 0.00 H new ATOM 0 HA SER A 13 5.638 -5.819 4.571 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.139 -3.646 6.095 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.158 -4.883 6.857 1.00 0.00 H new ATOM 0 HG SER A 13 8.400 -5.472 6.766 1.00 0.00 H new ATOM 149 N PHE A 14 3.739 -4.410 5.692 1.00 0.00 N ATOM 150 CA PHE A 14 2.483 -3.704 5.920 1.00 0.00 C ATOM 151 C PHE A 14 2.343 -3.304 7.386 1.00 0.00 C ATOM 152 O PHE A 14 1.822 -4.065 8.201 1.00 0.00 O ATOM 153 CB PHE A 14 1.299 -4.578 5.502 1.00 0.00 C ATOM 154 CG PHE A 14 1.119 -4.672 4.014 1.00 0.00 C ATOM 155 CD1 PHE A 14 0.866 -3.537 3.261 1.00 0.00 C ATOM 156 CD2 PHE A 14 1.202 -5.895 3.369 1.00 0.00 C ATOM 157 CE1 PHE A 14 0.698 -3.621 1.892 1.00 0.00 C ATOM 158 CE2 PHE A 14 1.037 -5.985 1.999 1.00 0.00 C ATOM 159 CZ PHE A 14 0.785 -4.846 1.260 1.00 0.00 C ATOM 0 H PHE A 14 3.837 -5.278 6.219 1.00 0.00 H new ATOM 0 HA PHE A 14 2.488 -2.798 5.314 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.437 -5.580 5.907 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.388 -4.177 5.946 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.799 -2.576 3.749 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.398 -6.789 3.943 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.499 -2.729 1.316 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.105 -6.944 1.508 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.656 -4.913 0.190 1.00 0.00 H new ATOM 169 N SER A 15 2.812 -2.104 7.713 1.00 0.00 N ATOM 170 CA SER A 15 2.743 -1.604 9.081 1.00 0.00 C ATOM 171 C SER A 15 1.311 -1.651 9.605 1.00 0.00 C ATOM 172 O SER A 15 1.071 -2.017 10.756 1.00 0.00 O ATOM 173 CB SER A 15 3.277 -0.171 9.150 1.00 0.00 C ATOM 174 OG SER A 15 3.052 0.396 10.429 1.00 0.00 O ATOM 0 H SER A 15 3.244 -1.460 7.050 1.00 0.00 H new ATOM 0 HA SER A 15 3.362 -2.246 9.708 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.344 -0.166 8.929 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.791 0.439 8.388 1.00 0.00 H new ATOM 0 HG SER A 15 3.403 1.311 10.448 1.00 0.00 H new ATOM 180 N SER A 16 0.363 -1.277 8.752 1.00 0.00 N ATOM 181 CA SER A 16 -1.046 -1.272 9.129 1.00 0.00 C ATOM 182 C SER A 16 -1.899 -1.936 8.052 1.00 0.00 C ATOM 183 O SER A 16 -2.242 -1.315 7.046 1.00 0.00 O ATOM 184 CB SER A 16 -1.527 0.160 9.367 1.00 0.00 C ATOM 185 OG SER A 16 -1.080 0.647 10.620 1.00 0.00 O ATOM 0 H SER A 16 0.545 -0.974 7.795 1.00 0.00 H new ATOM 0 HA SER A 16 -1.152 -1.841 10.053 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.160 0.807 8.570 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.616 0.192 9.328 1.00 0.00 H new ATOM 0 HG SER A 16 -1.399 1.565 10.747 1.00 0.00 H new ATOM 191 N VAL A 17 -2.238 -3.202 8.271 1.00 0.00 N ATOM 192 CA VAL A 17 -3.051 -3.951 7.320 1.00 0.00 C ATOM 193 C VAL A 17 -4.469 -3.394 7.252 1.00 0.00 C ATOM 194 O VAL A 17 -4.880 -2.607 8.105 1.00 0.00 O ATOM 195 CB VAL A 17 -3.115 -5.445 7.691 1.00 0.00 C ATOM 196 CG1 VAL A 17 -1.728 -6.066 7.647 1.00 0.00 C ATOM 197 CG2 VAL A 17 -3.747 -5.626 9.063 1.00 0.00 C ATOM 0 H VAL A 17 -1.962 -3.731 9.099 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.575 -3.847 6.345 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.739 -5.957 6.959 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.793 -7.121 7.912 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.318 -5.969 6.642 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.077 -5.554 8.356 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.784 -6.687 9.309 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.152 -5.101 9.810 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.758 -5.220 9.054 1.00 0.00 H new ATOM 207 N LEU A 18 -5.212 -3.808 6.232 1.00 0.00 N ATOM 208 CA LEU A 18 -6.586 -3.351 6.051 1.00 0.00 C ATOM 209 C LEU A 18 -7.516 -4.008 7.066 1.00 0.00 C ATOM 210 O LEU A 18 -7.260 -5.119 7.531 1.00 0.00 O ATOM 211 CB LEU A 18 -7.064 -3.658 4.631 1.00 0.00 C ATOM 212 CG LEU A 18 -6.232 -3.055 3.498 1.00 0.00 C ATOM 213 CD1 LEU A 18 -6.316 -3.924 2.253 1.00 0.00 C ATOM 214 CD2 LEU A 18 -6.695 -1.637 3.193 1.00 0.00 C ATOM 0 H LEU A 18 -4.887 -4.459 5.518 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.608 -2.273 6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.086 -4.740 4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.090 -3.304 4.530 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.191 -3.015 3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.718 -3.479 1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.936 -4.920 2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.354 -3.996 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.092 -1.223 2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.743 -1.653 2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.582 -1.018 4.083 1.00 0.00 H new ATOM 226 N LYS A 19 -8.598 -3.316 7.404 1.00 0.00 N ATOM 227 CA LYS A 19 -9.570 -3.832 8.361 1.00 0.00 C ATOM 228 C LYS A 19 -10.988 -3.720 7.811 1.00 0.00 C ATOM 229 O LYS A 19 -11.384 -2.672 7.298 1.00 0.00 O ATOM 230 CB LYS A 19 -9.464 -3.075 9.686 1.00 0.00 C ATOM 231 CG LYS A 19 -8.179 -3.356 10.446 1.00 0.00 C ATOM 232 CD LYS A 19 -8.329 -4.552 11.372 1.00 0.00 C ATOM 233 CE LYS A 19 -7.422 -4.433 12.587 1.00 0.00 C ATOM 234 NZ LYS A 19 -7.998 -3.530 13.622 1.00 0.00 N ATOM 0 H LYS A 19 -8.825 -2.395 7.029 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.348 -4.885 8.533 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.534 -2.005 9.490 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.314 -3.340 10.315 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.370 -3.541 9.739 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.899 -2.477 11.027 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.366 -4.634 11.697 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.092 -5.467 10.828 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.259 -5.421 13.017 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.447 -4.056 12.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.350 -3.475 14.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.130 -2.580 13.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.916 -3.903 13.936 1.00 0.00 H new ATOM 248 N ASP A 20 -11.749 -4.803 7.922 1.00 0.00 N ATOM 249 CA ASP A 20 -13.124 -4.825 7.438 1.00 0.00 C ATOM 250 C ASP A 20 -13.815 -3.491 7.704 1.00 0.00 C ATOM 251 O ASP A 20 -13.431 -2.752 8.612 1.00 0.00 O ATOM 252 CB ASP A 20 -13.904 -5.959 8.105 1.00 0.00 C ATOM 253 CG ASP A 20 -14.511 -5.543 9.431 1.00 0.00 C ATOM 254 OD1 ASP A 20 -15.415 -4.681 9.426 1.00 0.00 O ATOM 255 OD2 ASP A 20 -14.082 -6.080 10.473 1.00 0.00 O ATOM 0 H ASP A 20 -11.437 -5.678 8.343 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.101 -4.994 6.361 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.696 -6.294 7.435 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -13.240 -6.809 8.263 1.00 0.00 H new ATOM 260 N CYS A 21 -14.834 -3.189 6.908 1.00 0.00 N ATOM 261 CA CYS A 21 -15.577 -1.942 7.056 1.00 0.00 C ATOM 262 C CYS A 21 -16.975 -2.069 6.460 1.00 0.00 C ATOM 263 O CYS A 21 -17.176 -2.764 5.465 1.00 0.00 O ATOM 264 CB CYS A 21 -14.825 -0.793 6.383 1.00 0.00 C ATOM 265 SG CYS A 21 -14.051 -1.238 4.811 1.00 0.00 S ATOM 0 H CYS A 21 -15.165 -3.790 6.153 1.00 0.00 H new ATOM 0 HA CYS A 21 -15.673 -1.729 8.121 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -15.518 0.031 6.214 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -14.056 -0.428 7.064 1.00 0.00 H new ATOM 0 HG CYS A 21 -13.442 -0.201 4.318 1.00 0.00 H new ATOM 271 N ALA A 22 -17.939 -1.395 7.078 1.00 0.00 N ATOM 272 CA ALA A 22 -19.319 -1.431 6.609 1.00 0.00 C ATOM 273 C ALA A 22 -19.779 -0.053 6.148 1.00 0.00 C ATOM 274 O ALA A 22 -19.711 0.919 6.900 1.00 0.00 O ATOM 275 CB ALA A 22 -20.235 -1.956 7.705 1.00 0.00 C ATOM 0 H ALA A 22 -17.790 -0.817 7.905 1.00 0.00 H new ATOM 0 HA ALA A 22 -19.368 -2.106 5.754 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -21.262 -1.978 7.341 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -19.928 -2.964 7.984 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -20.172 -1.303 8.576 1.00 0.00 H new ATOM 281 N VAL A 23 -20.247 0.025 4.906 1.00 0.00 N ATOM 282 CA VAL A 23 -20.719 1.285 4.344 1.00 0.00 C ATOM 283 C VAL A 23 -22.167 1.172 3.880 1.00 0.00 C ATOM 284 O VAL A 23 -22.690 0.070 3.709 1.00 0.00 O ATOM 285 CB VAL A 23 -19.844 1.733 3.158 1.00 0.00 C ATOM 286 CG1 VAL A 23 -20.055 0.817 1.963 1.00 0.00 C ATOM 287 CG2 VAL A 23 -20.145 3.179 2.792 1.00 0.00 C ATOM 0 H VAL A 23 -20.309 -0.770 4.270 1.00 0.00 H new ATOM 0 HA VAL A 23 -20.652 2.030 5.137 1.00 0.00 H new ATOM 0 HB VAL A 23 -18.797 1.667 3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.429 1.149 1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -19.786 -0.204 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -21.102 0.848 1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -19.518 3.480 1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -21.195 3.273 2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -19.938 3.822 3.648 1.00 0.00 H new ATOM 297 N ILE A 24 -22.808 2.317 3.676 1.00 0.00 N ATOM 298 CA ILE A 24 -24.195 2.346 3.229 1.00 0.00 C ATOM 299 C ILE A 24 -24.282 2.394 1.707 1.00 0.00 C ATOM 300 O ILE A 24 -23.517 3.105 1.055 1.00 0.00 O ATOM 301 CB ILE A 24 -24.950 3.555 3.813 1.00 0.00 C ATOM 302 CG1 ILE A 24 -25.119 3.396 5.326 1.00 0.00 C ATOM 303 CG2 ILE A 24 -26.303 3.713 3.137 1.00 0.00 C ATOM 304 CD1 ILE A 24 -26.123 2.332 5.712 1.00 0.00 C ATOM 0 H ILE A 24 -22.389 3.237 3.813 1.00 0.00 H new ATOM 0 HA ILE A 24 -24.661 1.429 3.588 1.00 0.00 H new ATOM 0 HB ILE A 24 -24.365 4.455 3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -24.153 3.151 5.768 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -25.431 4.350 5.751 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -26.824 4.572 3.561 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -26.160 3.868 2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -26.897 2.813 3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -26.192 2.274 6.798 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -27.099 2.586 5.300 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -25.802 1.368 5.317 1.00 0.00 H new ATOM 316 N GLU A 25 -25.219 1.635 1.149 1.00 0.00 N ATOM 317 CA GLU A 25 -25.406 1.593 -0.297 1.00 0.00 C ATOM 318 C GLU A 25 -25.586 2.998 -0.864 1.00 0.00 C ATOM 319 O GLU A 25 -26.497 3.725 -0.471 1.00 0.00 O ATOM 320 CB GLU A 25 -26.618 0.728 -0.651 1.00 0.00 C ATOM 321 CG GLU A 25 -26.821 0.549 -2.146 1.00 0.00 C ATOM 322 CD GLU A 25 -28.223 0.088 -2.494 1.00 0.00 C ATOM 323 OE1 GLU A 25 -29.179 0.845 -2.225 1.00 0.00 O ATOM 324 OE2 GLU A 25 -28.364 -1.030 -3.033 1.00 0.00 O ATOM 0 H GLU A 25 -25.860 1.041 1.675 1.00 0.00 H new ATOM 0 HA GLU A 25 -24.513 1.154 -0.741 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -26.502 -0.252 -0.189 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -27.513 1.179 -0.223 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -26.617 1.493 -2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -26.100 -0.177 -2.522 1.00 0.00 H new ATOM 331 N GLY A 26 -24.709 3.373 -1.790 1.00 0.00 N ATOM 332 CA GLY A 26 -24.788 4.689 -2.396 1.00 0.00 C ATOM 333 C GLY A 26 -23.765 5.652 -1.827 1.00 0.00 C ATOM 334 O GLY A 26 -23.550 6.733 -2.373 1.00 0.00 O ATOM 0 H GLY A 26 -23.945 2.789 -2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -24.639 4.600 -3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -25.788 5.095 -2.245 1.00 0.00 H new ATOM 338 N GLN A 27 -23.133 5.258 -0.725 1.00 0.00 N ATOM 339 CA GLN A 27 -22.128 6.095 -0.081 1.00 0.00 C ATOM 340 C GLN A 27 -20.738 5.804 -0.637 1.00 0.00 C ATOM 341 O GLN A 27 -20.577 4.966 -1.525 1.00 0.00 O ATOM 342 CB GLN A 27 -22.142 5.872 1.432 1.00 0.00 C ATOM 343 CG GLN A 27 -23.272 6.599 2.144 1.00 0.00 C ATOM 344 CD GLN A 27 -24.559 6.603 1.344 1.00 0.00 C ATOM 345 OE1 GLN A 27 -25.157 7.655 1.113 1.00 0.00 O ATOM 346 NE2 GLN A 27 -24.993 5.424 0.914 1.00 0.00 N ATOM 0 H GLN A 27 -23.299 4.365 -0.261 1.00 0.00 H new ATOM 0 HA GLN A 27 -22.371 7.137 -0.290 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -22.225 4.804 1.633 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -21.190 6.201 1.848 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -23.451 6.127 3.110 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -22.969 7.627 2.343 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -24.466 4.577 1.128 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -25.853 5.365 0.369 1.00 0.00 H new ATOM 355 N ASP A 28 -19.738 6.500 -0.110 1.00 0.00 N ATOM 356 CA ASP A 28 -18.361 6.316 -0.553 1.00 0.00 C ATOM 357 C ASP A 28 -17.471 5.876 0.606 1.00 0.00 C ATOM 358 O ASP A 28 -17.792 6.108 1.771 1.00 0.00 O ATOM 359 CB ASP A 28 -17.821 7.610 -1.164 1.00 0.00 C ATOM 360 CG ASP A 28 -17.679 8.719 -0.139 1.00 0.00 C ATOM 361 OD1 ASP A 28 -18.709 9.320 0.233 1.00 0.00 O ATOM 362 OD2 ASP A 28 -16.537 8.984 0.292 1.00 0.00 O ATOM 0 H ASP A 28 -19.855 7.197 0.625 1.00 0.00 H new ATOM 0 HA ASP A 28 -18.352 5.534 -1.312 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -16.851 7.415 -1.621 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -18.489 7.939 -1.961 1.00 0.00 H new ATOM 367 N PHE A 29 -16.352 5.240 0.277 1.00 0.00 N ATOM 368 CA PHE A 29 -15.416 4.765 1.290 1.00 0.00 C ATOM 369 C PHE A 29 -14.028 4.554 0.693 1.00 0.00 C ATOM 370 O PHE A 29 -13.881 3.926 -0.356 1.00 0.00 O ATOM 371 CB PHE A 29 -15.921 3.461 1.910 1.00 0.00 C ATOM 372 CG PHE A 29 -15.743 2.265 1.019 1.00 0.00 C ATOM 373 CD1 PHE A 29 -14.508 1.646 0.907 1.00 0.00 C ATOM 374 CD2 PHE A 29 -16.810 1.759 0.294 1.00 0.00 C ATOM 375 CE1 PHE A 29 -14.341 0.547 0.087 1.00 0.00 C ATOM 376 CE2 PHE A 29 -16.648 0.659 -0.528 1.00 0.00 C ATOM 377 CZ PHE A 29 -15.413 0.052 -0.630 1.00 0.00 C ATOM 0 H PHE A 29 -16.071 5.041 -0.683 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.345 5.525 2.068 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -15.395 3.286 2.848 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.978 3.569 2.153 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.667 2.027 1.467 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.779 2.229 0.372 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.373 0.075 0.006 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -17.487 0.275 -1.090 1.00 0.00 H new ATOM 0 HZ PHE A 29 -15.285 -0.809 -1.269 1.00 0.00 H new ATOM 387 N VAL A 30 -13.013 5.083 1.367 1.00 0.00 N ATOM 388 CA VAL A 30 -11.637 4.953 0.905 1.00 0.00 C ATOM 389 C VAL A 30 -10.786 4.194 1.917 1.00 0.00 C ATOM 390 O VAL A 30 -10.602 4.642 3.050 1.00 0.00 O ATOM 391 CB VAL A 30 -10.999 6.331 0.645 1.00 0.00 C ATOM 392 CG1 VAL A 30 -11.300 7.283 1.792 1.00 0.00 C ATOM 393 CG2 VAL A 30 -9.498 6.192 0.436 1.00 0.00 C ATOM 0 H VAL A 30 -13.118 5.606 2.236 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.669 4.394 -0.030 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.432 6.747 -0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.841 8.251 1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.379 7.406 1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.896 6.875 2.719 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.063 7.175 0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.046 5.755 1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.308 5.547 -0.422 1.00 0.00 H new ATOM 403 N LEU A 31 -10.269 3.043 1.502 1.00 0.00 N ATOM 404 CA LEU A 31 -9.436 2.220 2.373 1.00 0.00 C ATOM 405 C LEU A 31 -8.065 2.857 2.575 1.00 0.00 C ATOM 406 O LEU A 31 -7.528 3.497 1.671 1.00 0.00 O ATOM 407 CB LEU A 31 -9.278 0.818 1.784 1.00 0.00 C ATOM 408 CG LEU A 31 -10.547 0.181 1.217 1.00 0.00 C ATOM 409 CD1 LEU A 31 -10.206 -0.767 0.078 1.00 0.00 C ATOM 410 CD2 LEU A 31 -11.310 -0.552 2.311 1.00 0.00 C ATOM 0 H LEU A 31 -10.412 2.658 0.568 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.928 2.146 3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.532 0.861 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.882 0.162 2.559 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.184 0.974 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.122 -1.211 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.703 -0.216 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.549 -1.555 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.210 -0.999 1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.679 -1.335 2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.588 0.152 3.095 1.00 0.00 H new ATOM 422 N GLN A 32 -7.504 2.676 3.766 1.00 0.00 N ATOM 423 CA GLN A 32 -6.194 3.231 4.086 1.00 0.00 C ATOM 424 C GLN A 32 -5.326 2.202 4.802 1.00 0.00 C ATOM 425 O GLN A 32 -5.750 1.596 5.787 1.00 0.00 O ATOM 426 CB GLN A 32 -6.345 4.482 4.954 1.00 0.00 C ATOM 427 CG GLN A 32 -5.058 5.276 5.107 1.00 0.00 C ATOM 428 CD GLN A 32 -5.141 6.315 6.207 1.00 0.00 C ATOM 429 OE1 GLN A 32 -5.549 6.017 7.330 1.00 0.00 O ATOM 430 NE2 GLN A 32 -4.752 7.545 5.890 1.00 0.00 N ATOM 0 H GLN A 32 -7.936 2.149 4.525 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.705 3.503 3.151 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.110 5.126 4.519 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.700 4.188 5.942 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.237 4.592 5.320 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.826 5.769 4.163 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.421 7.748 4.947 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.785 8.286 6.590 1.00 0.00 H new ATOM 439 N CYS A 33 -4.111 2.010 4.301 1.00 0.00 N ATOM 440 CA CYS A 33 -3.183 1.052 4.893 1.00 0.00 C ATOM 441 C CYS A 33 -1.750 1.568 4.820 1.00 0.00 C ATOM 442 O CYS A 33 -1.397 2.325 3.915 1.00 0.00 O ATOM 443 CB CYS A 33 -3.289 -0.298 4.183 1.00 0.00 C ATOM 444 SG CYS A 33 -2.563 -0.321 2.528 1.00 0.00 S ATOM 0 H CYS A 33 -3.745 2.504 3.487 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.451 0.924 5.942 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.799 -1.057 4.793 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.340 -0.577 4.111 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.700 -1.506 2.010 1.00 0.00 H new ATOM 450 N SER A 34 -0.927 1.153 5.778 1.00 0.00 N ATOM 451 CA SER A 34 0.467 1.578 5.825 1.00 0.00 C ATOM 452 C SER A 34 1.374 0.535 5.179 1.00 0.00 C ATOM 453 O SER A 34 1.409 -0.621 5.599 1.00 0.00 O ATOM 454 CB SER A 34 0.900 1.819 7.273 1.00 0.00 C ATOM 455 OG SER A 34 0.183 2.899 7.846 1.00 0.00 O ATOM 0 H SER A 34 -1.202 0.523 6.532 1.00 0.00 H new ATOM 0 HA SER A 34 0.557 2.510 5.266 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.735 0.916 7.861 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.969 2.030 7.306 1.00 0.00 H new ATOM 0 HG SER A 34 0.476 3.032 8.772 1.00 0.00 H new ATOM 461 N VAL A 35 2.108 0.954 4.152 1.00 0.00 N ATOM 462 CA VAL A 35 3.016 0.058 3.446 1.00 0.00 C ATOM 463 C VAL A 35 4.445 0.589 3.477 1.00 0.00 C ATOM 464 O VAL A 35 4.693 1.753 3.161 1.00 0.00 O ATOM 465 CB VAL A 35 2.585 -0.138 1.981 1.00 0.00 C ATOM 466 CG1 VAL A 35 3.192 -1.411 1.412 1.00 0.00 C ATOM 467 CG2 VAL A 35 1.068 -0.166 1.871 1.00 0.00 C ATOM 0 H VAL A 35 2.091 1.908 3.791 1.00 0.00 H new ATOM 0 HA VAL A 35 2.976 -0.902 3.960 1.00 0.00 H new ATOM 0 HB VAL A 35 2.953 0.705 1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.876 -1.533 0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.279 -1.346 1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.856 -2.267 1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.781 -0.305 0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.675 -0.989 2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.659 0.776 2.237 1.00 0.00 H new ATOM 477 N ARG A 36 5.382 -0.272 3.860 1.00 0.00 N ATOM 478 CA ARG A 36 6.787 0.110 3.934 1.00 0.00 C ATOM 479 C ARG A 36 7.630 -0.732 2.980 1.00 0.00 C ATOM 480 O ARG A 36 7.179 -1.761 2.481 1.00 0.00 O ATOM 481 CB ARG A 36 7.307 -0.046 5.364 1.00 0.00 C ATOM 482 CG ARG A 36 6.628 0.877 6.363 1.00 0.00 C ATOM 483 CD ARG A 36 7.408 0.959 7.665 1.00 0.00 C ATOM 484 NE ARG A 36 6.947 2.056 8.512 1.00 0.00 N ATOM 485 CZ ARG A 36 7.228 2.153 9.807 1.00 0.00 C ATOM 486 NH1 ARG A 36 7.966 1.225 10.400 1.00 0.00 N ATOM 487 NH2 ARG A 36 6.772 3.181 10.510 1.00 0.00 N ATOM 0 H ARG A 36 5.194 -1.239 4.124 1.00 0.00 H new ATOM 0 HA ARG A 36 6.869 1.156 3.638 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.166 -1.079 5.682 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.380 0.147 5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.532 1.874 5.932 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.619 0.518 6.564 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.310 0.018 8.206 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.467 1.092 7.445 1.00 0.00 H new ATOM 0 HE ARG A 36 6.378 2.788 8.086 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.320 0.434 9.862 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.180 1.302 11.394 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.205 3.898 10.057 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.988 3.255 11.504 1.00 0.00 H new ATOM 501 N GLY A 37 8.858 -0.285 2.732 1.00 0.00 N ATOM 502 CA GLY A 37 9.744 -1.009 1.839 1.00 0.00 C ATOM 503 C GLY A 37 10.611 -0.084 1.008 1.00 0.00 C ATOM 504 O GLY A 37 10.296 1.095 0.844 1.00 0.00 O ATOM 0 H GLY A 37 9.254 0.565 3.133 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.382 -1.672 2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.151 -1.639 1.176 1.00 0.00 H new ATOM 508 N THR A 38 11.709 -0.619 0.482 1.00 0.00 N ATOM 509 CA THR A 38 12.626 0.167 -0.334 1.00 0.00 C ATOM 510 C THR A 38 13.337 -0.709 -1.360 1.00 0.00 C ATOM 511 O THR A 38 13.996 -1.692 -1.022 1.00 0.00 O ATOM 512 CB THR A 38 13.679 0.881 0.534 1.00 0.00 C ATOM 513 OG1 THR A 38 13.050 1.872 1.353 1.00 0.00 O ATOM 514 CG2 THR A 38 14.743 1.535 -0.335 1.00 0.00 C ATOM 0 H THR A 38 11.984 -1.593 0.607 1.00 0.00 H new ATOM 0 HA THR A 38 12.027 0.915 -0.853 1.00 0.00 H new ATOM 0 HB THR A 38 14.158 0.137 1.170 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.083 1.860 1.196 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.476 2.033 0.300 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.241 0.774 -0.935 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.276 2.268 -0.993 1.00 0.00 H new ATOM 522 N PRO A 39 13.203 -0.345 -2.644 1.00 0.00 N ATOM 523 CA PRO A 39 12.421 0.824 -3.058 1.00 0.00 C ATOM 524 C PRO A 39 10.923 0.619 -2.858 1.00 0.00 C ATOM 525 O PRO A 39 10.486 -0.440 -2.408 1.00 0.00 O ATOM 526 CB PRO A 39 12.748 0.959 -4.547 1.00 0.00 C ATOM 527 CG PRO A 39 13.133 -0.414 -4.977 1.00 0.00 C ATOM 528 CD PRO A 39 13.805 -1.047 -3.790 1.00 0.00 C ATOM 0 HA PRO A 39 12.668 1.709 -2.471 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.888 1.323 -5.109 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.560 1.667 -4.711 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.257 -0.987 -5.281 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.806 -0.380 -5.834 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.618 -2.120 -3.747 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.886 -0.912 -3.821 1.00 0.00 H new ATOM 536 N VAL A 40 10.141 1.640 -3.196 1.00 0.00 N ATOM 537 CA VAL A 40 8.691 1.571 -3.055 1.00 0.00 C ATOM 538 C VAL A 40 8.123 0.370 -3.802 1.00 0.00 C ATOM 539 O VAL A 40 8.305 0.216 -5.010 1.00 0.00 O ATOM 540 CB VAL A 40 8.015 2.853 -3.576 1.00 0.00 C ATOM 541 CG1 VAL A 40 6.501 2.721 -3.515 1.00 0.00 C ATOM 542 CG2 VAL A 40 8.486 4.063 -2.783 1.00 0.00 C ATOM 0 H VAL A 40 10.487 2.524 -3.569 1.00 0.00 H new ATOM 0 HA VAL A 40 8.481 1.465 -1.991 1.00 0.00 H new ATOM 0 HB VAL A 40 8.301 2.997 -4.618 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.041 3.636 -3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.184 1.879 -4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.192 2.553 -2.483 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.998 4.960 -3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.231 3.931 -1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.566 4.166 -2.884 1.00 0.00 H new ATOM 552 N PRO A 41 7.416 -0.503 -3.069 1.00 0.00 N ATOM 553 CA PRO A 41 6.804 -1.706 -3.642 1.00 0.00 C ATOM 554 C PRO A 41 5.633 -1.379 -4.561 1.00 0.00 C ATOM 555 O PRO A 41 5.028 -0.312 -4.456 1.00 0.00 O ATOM 556 CB PRO A 41 6.320 -2.477 -2.412 1.00 0.00 C ATOM 557 CG PRO A 41 6.117 -1.435 -1.367 1.00 0.00 C ATOM 558 CD PRO A 41 7.158 -0.382 -1.624 1.00 0.00 C ATOM 0 HA PRO A 41 7.505 -2.264 -4.263 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.395 -3.014 -2.620 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.054 -3.218 -2.095 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.113 -1.014 -1.426 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.228 -1.857 -0.368 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.797 0.613 -1.362 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.060 -0.558 -1.039 1.00 0.00 H new ATOM 566 N ARG A 42 5.317 -2.304 -5.462 1.00 0.00 N ATOM 567 CA ARG A 42 4.218 -2.113 -6.400 1.00 0.00 C ATOM 568 C ARG A 42 2.871 -2.263 -5.698 1.00 0.00 C ATOM 569 O ARG A 42 2.597 -3.288 -5.072 1.00 0.00 O ATOM 570 CB ARG A 42 4.320 -3.117 -7.550 1.00 0.00 C ATOM 571 CG ARG A 42 5.215 -2.652 -8.686 1.00 0.00 C ATOM 572 CD ARG A 42 6.658 -3.081 -8.471 1.00 0.00 C ATOM 573 NE ARG A 42 7.580 -2.361 -9.344 1.00 0.00 N ATOM 574 CZ ARG A 42 8.896 -2.337 -9.164 1.00 0.00 C ATOM 575 NH1 ARG A 42 9.441 -2.991 -8.148 1.00 0.00 N ATOM 576 NH2 ARG A 42 9.670 -1.659 -10.002 1.00 0.00 N ATOM 0 H ARG A 42 5.807 -3.193 -5.562 1.00 0.00 H new ATOM 0 HA ARG A 42 4.289 -1.102 -6.802 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.700 -4.063 -7.163 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.321 -3.311 -7.941 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.850 -3.060 -9.628 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.166 -1.566 -8.768 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.936 -2.910 -7.431 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.748 -4.152 -8.653 1.00 0.00 H new ATOM 0 HE ARG A 42 7.193 -1.848 -10.136 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.850 -3.514 -7.502 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.452 -2.971 -8.012 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.255 -1.155 -10.786 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.680 -1.642 -9.862 1.00 0.00 H new ATOM 590 N ILE A 43 2.036 -1.235 -5.805 1.00 0.00 N ATOM 591 CA ILE A 43 0.719 -1.254 -5.181 1.00 0.00 C ATOM 592 C ILE A 43 -0.362 -1.632 -6.189 1.00 0.00 C ATOM 593 O ILE A 43 -0.685 -0.857 -7.090 1.00 0.00 O ATOM 594 CB ILE A 43 0.371 0.112 -4.560 1.00 0.00 C ATOM 595 CG1 ILE A 43 1.524 0.607 -3.685 1.00 0.00 C ATOM 596 CG2 ILE A 43 -0.913 0.013 -3.749 1.00 0.00 C ATOM 597 CD1 ILE A 43 1.887 -0.345 -2.568 1.00 0.00 C ATOM 0 H ILE A 43 2.248 -0.379 -6.318 1.00 0.00 H new ATOM 0 HA ILE A 43 0.755 -2.005 -4.392 1.00 0.00 H new ATOM 0 HB ILE A 43 0.215 0.832 -5.364 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.401 0.770 -4.312 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.255 1.572 -3.256 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.146 0.986 -3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.730 -0.300 -4.398 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.784 -0.718 -2.950 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.712 0.071 -1.989 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.024 -0.489 -1.918 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.187 -1.304 -2.990 1.00 0.00 H new ATOM 609 N THR A 44 -0.919 -2.828 -6.030 1.00 0.00 N ATOM 610 CA THR A 44 -1.964 -3.309 -6.925 1.00 0.00 C ATOM 611 C THR A 44 -3.151 -3.856 -6.140 1.00 0.00 C ATOM 612 O THR A 44 -2.989 -4.701 -5.260 1.00 0.00 O ATOM 613 CB THR A 44 -1.435 -4.408 -7.866 1.00 0.00 C ATOM 614 OG1 THR A 44 -0.408 -3.877 -8.711 1.00 0.00 O ATOM 615 CG2 THR A 44 -2.559 -4.975 -8.721 1.00 0.00 C ATOM 0 H THR A 44 -0.664 -3.482 -5.290 1.00 0.00 H new ATOM 0 HA THR A 44 -2.288 -2.456 -7.521 1.00 0.00 H new ATOM 0 HB THR A 44 -1.023 -5.211 -7.255 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.076 -4.582 -9.305 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.162 -5.749 -9.377 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.326 -5.404 -8.076 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.996 -4.178 -9.323 1.00 0.00 H new ATOM 623 N TRP A 45 -4.343 -3.370 -6.465 1.00 0.00 N ATOM 624 CA TRP A 45 -5.559 -3.811 -5.790 1.00 0.00 C ATOM 625 C TRP A 45 -6.378 -4.729 -6.690 1.00 0.00 C ATOM 626 O TRP A 45 -6.556 -4.455 -7.878 1.00 0.00 O ATOM 627 CB TRP A 45 -6.400 -2.605 -5.370 1.00 0.00 C ATOM 628 CG TRP A 45 -5.672 -1.660 -4.463 1.00 0.00 C ATOM 629 CD1 TRP A 45 -4.629 -0.844 -4.796 1.00 0.00 C ATOM 630 CD2 TRP A 45 -5.931 -1.435 -3.073 1.00 0.00 C ATOM 631 NE1 TRP A 45 -4.224 -0.125 -3.697 1.00 0.00 N ATOM 632 CE2 TRP A 45 -5.008 -0.469 -2.628 1.00 0.00 C ATOM 633 CE3 TRP A 45 -6.855 -1.954 -2.162 1.00 0.00 C ATOM 634 CZ2 TRP A 45 -4.983 -0.014 -1.312 1.00 0.00 C ATOM 635 CZ3 TRP A 45 -6.829 -1.502 -0.856 1.00 0.00 C ATOM 636 CH2 TRP A 45 -5.898 -0.540 -0.441 1.00 0.00 C ATOM 0 H TRP A 45 -4.494 -2.670 -7.192 1.00 0.00 H new ATOM 0 HA TRP A 45 -5.269 -4.370 -4.900 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.721 -2.067 -6.262 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -7.302 -2.957 -4.868 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.187 -0.774 -5.779 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.463 0.554 -3.680 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -7.577 -2.695 -2.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.267 0.728 -0.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -7.538 -1.897 -0.143 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.903 -0.207 0.586 1.00 0.00 H new ATOM 647 N LEU A 46 -6.875 -5.821 -6.118 1.00 0.00 N ATOM 648 CA LEU A 46 -7.677 -6.780 -6.870 1.00 0.00 C ATOM 649 C LEU A 46 -8.840 -7.296 -6.027 1.00 0.00 C ATOM 650 O LEU A 46 -8.766 -7.323 -4.798 1.00 0.00 O ATOM 651 CB LEU A 46 -6.808 -7.951 -7.331 1.00 0.00 C ATOM 652 CG LEU A 46 -5.357 -7.614 -7.676 1.00 0.00 C ATOM 653 CD1 LEU A 46 -4.513 -7.532 -6.413 1.00 0.00 C ATOM 654 CD2 LEU A 46 -4.784 -8.646 -8.636 1.00 0.00 C ATOM 0 H LEU A 46 -6.737 -6.064 -5.137 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.083 -6.271 -7.744 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.808 -8.708 -6.547 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.274 -8.400 -8.208 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.337 -6.640 -8.166 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.484 -7.291 -6.678 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.910 -6.755 -5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.539 -8.491 -5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.751 -8.390 -8.871 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.818 -9.632 -8.173 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.373 -8.656 -9.553 1.00 0.00 H new ATOM 666 N LEU A 47 -9.911 -7.707 -6.696 1.00 0.00 N ATOM 667 CA LEU A 47 -11.090 -8.225 -6.009 1.00 0.00 C ATOM 668 C LEU A 47 -11.085 -9.750 -5.995 1.00 0.00 C ATOM 669 O LEU A 47 -11.631 -10.391 -6.892 1.00 0.00 O ATOM 670 CB LEU A 47 -12.364 -7.714 -6.685 1.00 0.00 C ATOM 671 CG LEU A 47 -13.599 -7.602 -5.790 1.00 0.00 C ATOM 672 CD1 LEU A 47 -13.248 -6.914 -4.480 1.00 0.00 C ATOM 673 CD2 LEU A 47 -14.711 -6.851 -6.508 1.00 0.00 C ATOM 0 H LEU A 47 -9.988 -7.692 -7.713 1.00 0.00 H new ATOM 0 HA LEU A 47 -11.065 -7.870 -4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.157 -6.732 -7.110 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.601 -8.377 -7.517 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.954 -8.608 -5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.139 -6.843 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -12.485 -7.492 -3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.868 -5.913 -4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -15.582 -6.781 -5.857 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -14.367 -5.849 -6.764 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.981 -7.385 -7.419 1.00 0.00 H new ATOM 685 N ASN A 48 -10.466 -10.325 -4.969 1.00 0.00 N ATOM 686 CA ASN A 48 -10.392 -11.776 -4.837 1.00 0.00 C ATOM 687 C ASN A 48 -10.264 -12.441 -6.204 1.00 0.00 C ATOM 688 O ASN A 48 -10.909 -13.452 -6.477 1.00 0.00 O ATOM 689 CB ASN A 48 -11.631 -12.307 -4.113 1.00 0.00 C ATOM 690 CG ASN A 48 -12.916 -11.974 -4.847 1.00 0.00 C ATOM 691 OD1 ASN A 48 -13.444 -12.793 -5.600 1.00 0.00 O ATOM 692 ND2 ASN A 48 -13.426 -10.767 -4.630 1.00 0.00 N ATOM 0 H ASN A 48 -10.009 -9.809 -4.217 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.505 -12.018 -4.251 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.549 -13.388 -4.002 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.670 -11.886 -3.108 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.289 -10.487 -5.096 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.955 -10.120 -3.998 1.00 0.00 H new ATOM 699 N GLY A 49 -9.425 -11.865 -7.060 1.00 0.00 N ATOM 700 CA GLY A 49 -9.226 -12.415 -8.388 1.00 0.00 C ATOM 701 C GLY A 49 -8.382 -11.515 -9.268 1.00 0.00 C ATOM 702 O GLY A 49 -7.165 -11.436 -9.100 1.00 0.00 O ATOM 0 H GLY A 49 -8.880 -11.027 -6.857 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.747 -13.391 -8.306 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.195 -12.575 -8.861 1.00 0.00 H new ATOM 706 N GLN A 50 -9.029 -10.836 -10.210 1.00 0.00 N ATOM 707 CA GLN A 50 -8.329 -9.939 -11.122 1.00 0.00 C ATOM 708 C GLN A 50 -8.213 -8.539 -10.526 1.00 0.00 C ATOM 709 O GLN A 50 -9.041 -8.111 -9.722 1.00 0.00 O ATOM 710 CB GLN A 50 -9.054 -9.876 -12.467 1.00 0.00 C ATOM 711 CG GLN A 50 -10.408 -9.188 -12.396 1.00 0.00 C ATOM 712 CD GLN A 50 -11.286 -9.502 -13.591 1.00 0.00 C ATOM 713 OE1 GLN A 50 -11.558 -8.635 -14.421 1.00 0.00 O ATOM 714 NE2 GLN A 50 -11.734 -10.749 -13.685 1.00 0.00 N ATOM 0 H GLN A 50 -10.036 -10.890 -10.361 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.324 -10.332 -11.278 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.425 -9.349 -13.185 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.190 -10.889 -12.845 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.920 -9.495 -11.484 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.260 -8.110 -12.332 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.484 -11.436 -12.974 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.328 -11.020 -14.468 1.00 0.00 H new ATOM 723 N PRO A 51 -7.163 -7.809 -10.930 1.00 0.00 N ATOM 724 CA PRO A 51 -6.915 -6.447 -10.449 1.00 0.00 C ATOM 725 C PRO A 51 -7.938 -5.449 -10.981 1.00 0.00 C ATOM 726 O PRO A 51 -8.738 -5.774 -11.858 1.00 0.00 O ATOM 727 CB PRO A 51 -5.521 -6.126 -10.995 1.00 0.00 C ATOM 728 CG PRO A 51 -5.374 -6.998 -12.194 1.00 0.00 C ATOM 729 CD PRO A 51 -6.137 -8.257 -11.887 1.00 0.00 C ATOM 0 HA PRO A 51 -6.989 -6.378 -9.364 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.432 -5.072 -11.259 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.748 -6.336 -10.256 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -5.771 -6.508 -13.083 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -4.324 -7.216 -12.391 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.584 -8.685 -12.784 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.492 -9.023 -11.456 1.00 0.00 H new ATOM 737 N ILE A 52 -7.906 -4.233 -10.445 1.00 0.00 N ATOM 738 CA ILE A 52 -8.829 -3.188 -10.868 1.00 0.00 C ATOM 739 C ILE A 52 -8.188 -2.275 -11.907 1.00 0.00 C ATOM 740 O ILE A 52 -6.984 -2.024 -11.868 1.00 0.00 O ATOM 741 CB ILE A 52 -9.301 -2.337 -9.674 1.00 0.00 C ATOM 742 CG1 ILE A 52 -9.903 -3.231 -8.588 1.00 0.00 C ATOM 743 CG2 ILE A 52 -10.312 -1.296 -10.132 1.00 0.00 C ATOM 744 CD1 ILE A 52 -10.025 -2.549 -7.244 1.00 0.00 C ATOM 0 H ILE A 52 -7.251 -3.948 -9.717 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.690 -3.688 -11.310 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.439 -1.818 -9.254 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -10.890 -3.564 -8.909 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.286 -4.123 -8.479 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.636 -0.703 -9.277 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.851 -0.643 -10.873 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.174 -1.796 -10.574 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.459 -3.241 -6.523 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.037 -2.240 -6.902 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.667 -1.673 -7.337 1.00 0.00 H new ATOM 756 N GLN A 53 -9.001 -1.780 -12.835 1.00 0.00 N ATOM 757 CA GLN A 53 -8.513 -0.893 -13.884 1.00 0.00 C ATOM 758 C GLN A 53 -8.743 0.568 -13.513 1.00 0.00 C ATOM 759 O GLN A 53 -7.818 1.380 -13.542 1.00 0.00 O ATOM 760 CB GLN A 53 -9.204 -1.210 -15.211 1.00 0.00 C ATOM 761 CG GLN A 53 -9.473 -2.692 -15.419 1.00 0.00 C ATOM 762 CD GLN A 53 -8.218 -3.469 -15.764 1.00 0.00 C ATOM 763 OE1 GLN A 53 -7.471 -3.889 -14.879 1.00 0.00 O ATOM 764 NE2 GLN A 53 -7.980 -3.667 -17.055 1.00 0.00 N ATOM 0 H GLN A 53 -10.000 -1.978 -12.881 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.441 -1.056 -13.993 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.148 -0.668 -15.258 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.585 -0.843 -16.030 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.916 -3.108 -14.514 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.204 -2.816 -16.218 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.626 -3.301 -17.755 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.151 -4.185 -17.347 1.00 0.00 H new ATOM 773 N TYR A 54 -9.982 0.897 -13.165 1.00 0.00 N ATOM 774 CA TYR A 54 -10.335 2.261 -12.791 1.00 0.00 C ATOM 775 C TYR A 54 -10.035 2.517 -11.317 1.00 0.00 C ATOM 776 O TYR A 54 -10.722 3.297 -10.659 1.00 0.00 O ATOM 777 CB TYR A 54 -11.815 2.524 -13.075 1.00 0.00 C ATOM 778 CG TYR A 54 -12.751 1.676 -12.243 1.00 0.00 C ATOM 779 CD1 TYR A 54 -13.109 0.397 -12.651 1.00 0.00 C ATOM 780 CD2 TYR A 54 -13.276 2.154 -11.049 1.00 0.00 C ATOM 781 CE1 TYR A 54 -13.964 -0.381 -11.894 1.00 0.00 C ATOM 782 CE2 TYR A 54 -14.130 1.383 -10.285 1.00 0.00 C ATOM 783 CZ TYR A 54 -14.472 0.117 -10.712 1.00 0.00 C ATOM 784 OH TYR A 54 -15.323 -0.655 -9.955 1.00 0.00 O ATOM 0 H TYR A 54 -10.759 0.237 -13.134 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.731 2.942 -13.390 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -12.030 3.576 -12.890 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -12.012 2.339 -14.131 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -12.712 0.004 -13.576 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -13.012 3.146 -10.712 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -14.233 -1.373 -12.226 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -14.528 1.769 -9.358 1.00 0.00 H new ATOM 0 HH TYR A 54 -15.589 -0.158 -9.153 1.00 0.00 H new ATOM 794 N ALA A 55 -9.003 1.853 -10.807 1.00 0.00 N ATOM 795 CA ALA A 55 -8.609 2.010 -9.412 1.00 0.00 C ATOM 796 C ALA A 55 -7.781 3.275 -9.214 1.00 0.00 C ATOM 797 O ALA A 55 -6.607 3.324 -9.582 1.00 0.00 O ATOM 798 CB ALA A 55 -7.831 0.789 -8.943 1.00 0.00 C ATOM 0 H ALA A 55 -8.425 1.202 -11.338 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.515 2.103 -8.813 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.543 0.920 -7.900 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.456 -0.099 -9.039 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.936 0.671 -9.554 1.00 0.00 H new ATOM 804 N ARG A 56 -8.400 4.297 -8.632 1.00 0.00 N ATOM 805 CA ARG A 56 -7.720 5.563 -8.387 1.00 0.00 C ATOM 806 C ARG A 56 -6.876 5.490 -7.118 1.00 0.00 C ATOM 807 O ARG A 56 -6.856 6.427 -6.319 1.00 0.00 O ATOM 808 CB ARG A 56 -8.738 6.699 -8.271 1.00 0.00 C ATOM 809 CG ARG A 56 -9.385 7.074 -9.594 1.00 0.00 C ATOM 810 CD ARG A 56 -10.673 7.855 -9.383 1.00 0.00 C ATOM 811 NE ARG A 56 -10.419 9.272 -9.136 1.00 0.00 N ATOM 812 CZ ARG A 56 -11.381 10.177 -8.992 1.00 0.00 C ATOM 813 NH1 ARG A 56 -12.654 9.814 -9.069 1.00 0.00 N ATOM 814 NH2 ARG A 56 -11.071 11.448 -8.769 1.00 0.00 N ATOM 0 H ARG A 56 -9.371 4.273 -8.321 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.059 5.761 -9.231 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.516 6.408 -7.565 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.244 7.577 -7.856 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.689 7.670 -10.184 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.596 6.171 -10.166 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.310 7.748 -10.261 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.219 7.432 -8.540 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.450 9.584 -9.070 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.897 8.838 -9.239 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.391 10.511 -8.958 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.093 11.731 -8.708 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.811 12.142 -8.659 1.00 0.00 H new ATOM 828 N SER A 57 -6.181 4.372 -6.939 1.00 0.00 N ATOM 829 CA SER A 57 -5.338 4.175 -5.765 1.00 0.00 C ATOM 830 C SER A 57 -4.289 5.277 -5.658 1.00 0.00 C ATOM 831 O SER A 57 -3.848 5.831 -6.666 1.00 0.00 O ATOM 832 CB SER A 57 -4.654 2.808 -5.825 1.00 0.00 C ATOM 833 OG SER A 57 -5.473 1.802 -5.254 1.00 0.00 O ATOM 0 H SER A 57 -6.185 3.588 -7.592 1.00 0.00 H new ATOM 0 HA SER A 57 -5.974 4.216 -4.881 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.431 2.555 -6.861 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.702 2.851 -5.295 1.00 0.00 H new ATOM 0 HG SER A 57 -4.909 1.125 -4.826 1.00 0.00 H new ATOM 839 N THR A 58 -3.892 5.591 -4.429 1.00 0.00 N ATOM 840 CA THR A 58 -2.896 6.628 -4.189 1.00 0.00 C ATOM 841 C THR A 58 -2.007 6.271 -3.003 1.00 0.00 C ATOM 842 O THR A 58 -2.494 6.065 -1.890 1.00 0.00 O ATOM 843 CB THR A 58 -3.558 7.994 -3.927 1.00 0.00 C ATOM 844 OG1 THR A 58 -4.613 7.851 -2.969 1.00 0.00 O ATOM 845 CG2 THR A 58 -4.113 8.582 -5.216 1.00 0.00 C ATOM 0 H THR A 58 -4.245 5.142 -3.584 1.00 0.00 H new ATOM 0 HA THR A 58 -2.286 6.696 -5.090 1.00 0.00 H new ATOM 0 HB THR A 58 -2.800 8.671 -3.534 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.395 7.124 -2.349 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.576 9.546 -5.006 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.303 8.716 -5.933 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.858 7.905 -5.633 1.00 0.00 H new ATOM 853 N CYS A 59 -0.704 6.201 -3.247 1.00 0.00 N ATOM 854 CA CYS A 59 0.254 5.869 -2.198 1.00 0.00 C ATOM 855 C CYS A 59 1.248 7.006 -1.989 1.00 0.00 C ATOM 856 O CYS A 59 2.164 7.197 -2.789 1.00 0.00 O ATOM 857 CB CYS A 59 1.001 4.581 -2.549 1.00 0.00 C ATOM 858 SG CYS A 59 2.443 4.256 -1.508 1.00 0.00 S ATOM 0 H CYS A 59 -0.286 6.370 -4.162 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.299 5.719 -1.271 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.312 3.741 -2.469 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.322 4.632 -3.590 1.00 0.00 H new ATOM 0 HG CYS A 59 3.006 3.145 -1.881 1.00 0.00 H new ATOM 864 N GLU A 60 1.059 7.760 -0.911 1.00 0.00 N ATOM 865 CA GLU A 60 1.939 8.881 -0.599 1.00 0.00 C ATOM 866 C GLU A 60 2.549 8.723 0.790 1.00 0.00 C ATOM 867 O GLU A 60 1.834 8.599 1.784 1.00 0.00 O ATOM 868 CB GLU A 60 1.169 10.201 -0.683 1.00 0.00 C ATOM 869 CG GLU A 60 0.004 10.289 0.288 1.00 0.00 C ATOM 870 CD GLU A 60 0.424 10.783 1.659 1.00 0.00 C ATOM 871 OE1 GLU A 60 1.122 11.817 1.728 1.00 0.00 O ATOM 872 OE2 GLU A 60 0.055 10.138 2.662 1.00 0.00 O ATOM 0 H GLU A 60 0.305 7.616 -0.239 1.00 0.00 H new ATOM 0 HA GLU A 60 2.746 8.892 -1.332 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.855 11.025 -0.489 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.795 10.330 -1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.754 10.959 -0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.458 9.307 0.386 1.00 0.00 H new ATOM 879 N ALA A 61 3.877 8.730 0.851 1.00 0.00 N ATOM 880 CA ALA A 61 4.584 8.589 2.117 1.00 0.00 C ATOM 881 C ALA A 61 4.374 7.201 2.713 1.00 0.00 C ATOM 882 O ALA A 61 4.280 7.044 3.929 1.00 0.00 O ATOM 883 CB ALA A 61 4.129 9.660 3.098 1.00 0.00 C ATOM 0 H ALA A 61 4.484 8.832 0.038 1.00 0.00 H new ATOM 0 HA ALA A 61 5.649 8.716 1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.665 9.543 4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.337 10.646 2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.058 9.560 3.276 1.00 0.00 H new ATOM 889 N GLY A 62 4.301 6.195 1.846 1.00 0.00 N ATOM 890 CA GLY A 62 4.102 4.833 2.305 1.00 0.00 C ATOM 891 C GLY A 62 2.688 4.587 2.794 1.00 0.00 C ATOM 892 O GLY A 62 2.427 3.608 3.493 1.00 0.00 O ATOM 0 H GLY A 62 4.376 6.299 0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.328 4.142 1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.804 4.618 3.110 1.00 0.00 H new ATOM 896 N VAL A 63 1.773 5.479 2.429 1.00 0.00 N ATOM 897 CA VAL A 63 0.379 5.355 2.836 1.00 0.00 C ATOM 898 C VAL A 63 -0.520 5.070 1.638 1.00 0.00 C ATOM 899 O VAL A 63 -1.047 5.989 1.011 1.00 0.00 O ATOM 900 CB VAL A 63 -0.115 6.631 3.542 1.00 0.00 C ATOM 901 CG1 VAL A 63 -1.537 6.444 4.050 1.00 0.00 C ATOM 902 CG2 VAL A 63 0.821 7.006 4.681 1.00 0.00 C ATOM 0 H VAL A 63 1.972 6.296 1.852 1.00 0.00 H new ATOM 0 HA VAL A 63 0.326 4.519 3.533 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.117 7.447 2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.869 7.356 4.546 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.198 6.226 3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.565 5.615 4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.457 7.910 5.169 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.857 6.192 5.405 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.821 7.185 4.286 1.00 0.00 H new ATOM 912 N ALA A 64 -0.691 3.790 1.325 1.00 0.00 N ATOM 913 CA ALA A 64 -1.528 3.383 0.203 1.00 0.00 C ATOM 914 C ALA A 64 -3.008 3.499 0.552 1.00 0.00 C ATOM 915 O ALA A 64 -3.427 3.125 1.647 1.00 0.00 O ATOM 916 CB ALA A 64 -1.193 1.960 -0.217 1.00 0.00 C ATOM 0 H ALA A 64 -0.261 3.017 1.833 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.325 4.054 -0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.826 1.670 -1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.146 1.906 -0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.367 1.283 0.620 1.00 0.00 H new ATOM 922 N GLU A 65 -3.794 4.020 -0.385 1.00 0.00 N ATOM 923 CA GLU A 65 -5.227 4.186 -0.174 1.00 0.00 C ATOM 924 C GLU A 65 -5.995 3.994 -1.478 1.00 0.00 C ATOM 925 O GLU A 65 -5.465 4.229 -2.565 1.00 0.00 O ATOM 926 CB GLU A 65 -5.523 5.571 0.405 1.00 0.00 C ATOM 927 CG GLU A 65 -4.504 6.030 1.436 1.00 0.00 C ATOM 928 CD GLU A 65 -4.908 7.322 2.119 1.00 0.00 C ATOM 929 OE1 GLU A 65 -6.080 7.431 2.536 1.00 0.00 O ATOM 930 OE2 GLU A 65 -4.052 8.224 2.237 1.00 0.00 O ATOM 0 H GLU A 65 -3.463 4.334 -1.297 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.554 3.426 0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.557 6.296 -0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.512 5.560 0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.376 5.251 2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.538 6.167 0.951 1.00 0.00 H new ATOM 937 N LEU A 66 -7.247 3.564 -1.363 1.00 0.00 N ATOM 938 CA LEU A 66 -8.089 3.339 -2.533 1.00 0.00 C ATOM 939 C LEU A 66 -9.459 3.983 -2.349 1.00 0.00 C ATOM 940 O LEU A 66 -10.269 3.526 -1.541 1.00 0.00 O ATOM 941 CB LEU A 66 -8.248 1.839 -2.790 1.00 0.00 C ATOM 942 CG LEU A 66 -9.041 1.453 -4.040 1.00 0.00 C ATOM 943 CD1 LEU A 66 -8.140 1.458 -5.265 1.00 0.00 C ATOM 944 CD2 LEU A 66 -9.691 0.089 -3.858 1.00 0.00 C ATOM 0 H LEU A 66 -7.701 3.364 -0.472 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.604 3.800 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.255 1.396 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.734 1.392 -1.923 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.829 2.191 -4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.721 1.181 -6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.722 2.455 -5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.331 0.742 -5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.251 -0.170 -4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.920 -0.661 -3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.368 0.120 -3.005 1.00 0.00 H new ATOM 956 N HIS A 67 -9.714 5.046 -3.105 1.00 0.00 N ATOM 957 CA HIS A 67 -10.988 5.751 -3.028 1.00 0.00 C ATOM 958 C HIS A 67 -12.052 5.045 -3.862 1.00 0.00 C ATOM 959 O HIS A 67 -11.870 4.824 -5.060 1.00 0.00 O ATOM 960 CB HIS A 67 -10.826 7.195 -3.504 1.00 0.00 C ATOM 961 CG HIS A 67 -9.786 7.962 -2.747 1.00 0.00 C ATOM 962 ND1 HIS A 67 -10.093 8.955 -1.841 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.435 7.876 -2.763 1.00 0.00 C ATOM 964 CE1 HIS A 67 -8.977 9.447 -1.334 1.00 0.00 C ATOM 965 NE2 HIS A 67 -7.956 8.809 -1.877 1.00 0.00 N ATOM 0 H HIS A 67 -9.055 5.438 -3.778 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.310 5.753 -1.987 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.565 7.193 -4.562 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.783 7.709 -3.412 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.844 7.199 -3.362 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.911 10.237 -0.600 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -6.972 8.981 -1.672 1.00 0.00 H new ATOM 974 N ILE A 68 -13.162 4.692 -3.222 1.00 0.00 N ATOM 975 CA ILE A 68 -14.254 4.011 -3.906 1.00 0.00 C ATOM 976 C ILE A 68 -15.572 4.754 -3.712 1.00 0.00 C ATOM 977 O ILE A 68 -16.068 4.876 -2.592 1.00 0.00 O ATOM 978 CB ILE A 68 -14.416 2.563 -3.406 1.00 0.00 C ATOM 979 CG1 ILE A 68 -13.108 1.789 -3.588 1.00 0.00 C ATOM 980 CG2 ILE A 68 -15.554 1.873 -4.142 1.00 0.00 C ATOM 981 CD1 ILE A 68 -12.689 1.642 -5.034 1.00 0.00 C ATOM 0 H ILE A 68 -13.328 4.866 -2.231 1.00 0.00 H new ATOM 0 HA ILE A 68 -14.001 3.994 -4.966 1.00 0.00 H new ATOM 0 HB ILE A 68 -14.658 2.585 -2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.315 2.297 -3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -13.217 0.798 -3.147 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -15.656 0.851 -3.778 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -16.483 2.415 -3.966 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -15.340 1.858 -5.211 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.754 1.083 -5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -13.463 1.107 -5.585 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.547 2.629 -5.474 1.00 0.00 H new ATOM 993 N GLN A 69 -16.134 5.247 -4.811 1.00 0.00 N ATOM 994 CA GLN A 69 -17.395 5.976 -4.762 1.00 0.00 C ATOM 995 C GLN A 69 -18.545 5.110 -5.266 1.00 0.00 C ATOM 996 O GLN A 69 -18.328 4.105 -5.943 1.00 0.00 O ATOM 997 CB GLN A 69 -17.302 7.256 -5.595 1.00 0.00 C ATOM 998 CG GLN A 69 -17.252 7.004 -7.093 1.00 0.00 C ATOM 999 CD GLN A 69 -16.534 8.106 -7.847 1.00 0.00 C ATOM 1000 OE1 GLN A 69 -15.975 9.023 -7.245 1.00 0.00 O ATOM 1001 NE2 GLN A 69 -16.547 8.023 -9.172 1.00 0.00 N ATOM 0 H GLN A 69 -15.736 5.155 -5.746 1.00 0.00 H new ATOM 0 HA GLN A 69 -17.592 6.241 -3.723 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -18.160 7.889 -5.370 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.411 7.809 -5.298 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.751 6.054 -7.281 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -18.268 6.910 -7.476 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -17.023 7.245 -9.630 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -16.081 8.737 -9.732 1.00 0.00 H new ATOM 1010 N ASP A 70 -19.768 5.507 -4.931 1.00 0.00 N ATOM 1011 CA ASP A 70 -20.953 4.767 -5.350 1.00 0.00 C ATOM 1012 C ASP A 70 -20.873 3.312 -4.900 1.00 0.00 C ATOM 1013 O ASP A 70 -21.160 2.396 -5.671 1.00 0.00 O ATOM 1014 CB ASP A 70 -21.112 4.835 -6.870 1.00 0.00 C ATOM 1015 CG ASP A 70 -22.560 4.728 -7.306 1.00 0.00 C ATOM 1016 OD1 ASP A 70 -23.420 5.378 -6.674 1.00 0.00 O ATOM 1017 OD2 ASP A 70 -22.833 3.996 -8.280 1.00 0.00 O ATOM 0 H ASP A 70 -19.965 6.336 -4.371 1.00 0.00 H new ATOM 0 HA ASP A 70 -21.823 5.227 -4.880 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -20.694 5.774 -7.234 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -20.537 4.031 -7.329 1.00 0.00 H new ATOM 1022 N ALA A 71 -20.480 3.106 -3.647 1.00 0.00 N ATOM 1023 CA ALA A 71 -20.363 1.763 -3.093 1.00 0.00 C ATOM 1024 C ALA A 71 -21.581 0.916 -3.447 1.00 0.00 C ATOM 1025 O ALA A 71 -22.597 0.950 -2.751 1.00 0.00 O ATOM 1026 CB ALA A 71 -20.183 1.827 -1.584 1.00 0.00 C ATOM 0 H ALA A 71 -20.237 3.853 -2.996 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.484 1.291 -3.532 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -20.097 0.816 -1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.279 2.388 -1.349 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -21.044 2.322 -1.136 1.00 0.00 H new ATOM 1032 N LEU A 72 -21.473 0.156 -4.531 1.00 0.00 N ATOM 1033 CA LEU A 72 -22.566 -0.701 -4.977 1.00 0.00 C ATOM 1034 C LEU A 72 -22.535 -2.044 -4.255 1.00 0.00 C ATOM 1035 O LEU A 72 -21.491 -2.505 -3.794 1.00 0.00 O ATOM 1036 CB LEU A 72 -22.484 -0.920 -6.489 1.00 0.00 C ATOM 1037 CG LEU A 72 -22.831 0.287 -7.362 1.00 0.00 C ATOM 1038 CD1 LEU A 72 -22.791 -0.090 -8.835 1.00 0.00 C ATOM 1039 CD2 LEU A 72 -24.199 0.840 -6.988 1.00 0.00 C ATOM 0 H LEU A 72 -20.640 0.116 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 72 -23.506 -0.203 -4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -21.472 -1.242 -6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -23.153 -1.739 -6.754 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.087 1.064 -7.187 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -23.041 0.781 -9.440 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -21.791 -0.438 -9.095 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -23.513 -0.884 -9.027 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -24.429 1.698 -7.619 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -24.955 0.069 -7.134 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -24.193 1.149 -5.943 1.00 0.00 H new ATOM 1051 N PRO A 73 -23.707 -2.689 -4.155 1.00 0.00 N ATOM 1052 CA PRO A 73 -23.840 -3.990 -3.492 1.00 0.00 C ATOM 1053 C PRO A 73 -23.177 -5.113 -4.282 1.00 0.00 C ATOM 1054 O PRO A 73 -23.112 -6.253 -3.822 1.00 0.00 O ATOM 1055 CB PRO A 73 -25.354 -4.202 -3.429 1.00 0.00 C ATOM 1056 CG PRO A 73 -25.898 -3.392 -4.554 1.00 0.00 C ATOM 1057 CD PRO A 73 -24.992 -2.199 -4.681 1.00 0.00 C ATOM 0 HA PRO A 73 -23.353 -4.003 -2.517 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -25.611 -5.256 -3.540 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -25.760 -3.873 -2.472 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -25.915 -3.969 -5.478 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -26.924 -3.083 -4.352 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -24.903 -1.870 -5.716 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -25.363 -1.350 -4.108 1.00 0.00 H new ATOM 1065 N GLU A 74 -22.686 -4.784 -5.473 1.00 0.00 N ATOM 1066 CA GLU A 74 -22.028 -5.766 -6.326 1.00 0.00 C ATOM 1067 C GLU A 74 -20.513 -5.704 -6.160 1.00 0.00 C ATOM 1068 O GLU A 74 -19.777 -6.468 -6.785 1.00 0.00 O ATOM 1069 CB GLU A 74 -22.402 -5.533 -7.792 1.00 0.00 C ATOM 1070 CG GLU A 74 -22.059 -4.140 -8.293 1.00 0.00 C ATOM 1071 CD GLU A 74 -22.156 -4.023 -9.802 1.00 0.00 C ATOM 1072 OE1 GLU A 74 -23.282 -4.114 -10.333 1.00 0.00 O ATOM 1073 OE2 GLU A 74 -21.105 -3.840 -10.451 1.00 0.00 O ATOM 0 H GLU A 74 -22.732 -3.845 -5.869 1.00 0.00 H new ATOM 0 HA GLU A 74 -22.368 -6.757 -6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.889 -6.269 -8.411 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -23.472 -5.702 -7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.731 -3.416 -7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.048 -3.883 -7.976 1.00 0.00 H new ATOM 1080 N ASP A 75 -20.054 -4.789 -5.313 1.00 0.00 N ATOM 1081 CA ASP A 75 -18.626 -4.626 -5.064 1.00 0.00 C ATOM 1082 C ASP A 75 -18.200 -5.403 -3.822 1.00 0.00 C ATOM 1083 O ASP A 75 -17.050 -5.829 -3.708 1.00 0.00 O ATOM 1084 CB ASP A 75 -18.282 -3.145 -4.897 1.00 0.00 C ATOM 1085 CG ASP A 75 -16.939 -2.935 -4.225 1.00 0.00 C ATOM 1086 OD1 ASP A 75 -16.006 -3.715 -4.507 1.00 0.00 O ATOM 1087 OD2 ASP A 75 -16.822 -1.991 -3.416 1.00 0.00 O ATOM 0 H ASP A 75 -20.650 -4.149 -4.787 1.00 0.00 H new ATOM 0 HA ASP A 75 -18.084 -5.022 -5.923 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -18.275 -2.664 -5.875 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -19.060 -2.658 -4.308 1.00 0.00 H new ATOM 1092 N HIS A 76 -19.134 -5.582 -2.893 1.00 0.00 N ATOM 1093 CA HIS A 76 -18.854 -6.308 -1.658 1.00 0.00 C ATOM 1094 C HIS A 76 -17.978 -7.526 -1.931 1.00 0.00 C ATOM 1095 O HIS A 76 -18.469 -8.579 -2.336 1.00 0.00 O ATOM 1096 CB HIS A 76 -20.159 -6.743 -0.991 1.00 0.00 C ATOM 1097 CG HIS A 76 -20.014 -7.956 -0.125 1.00 0.00 C ATOM 1098 ND1 HIS A 76 -20.960 -8.958 -0.069 1.00 0.00 N ATOM 1099 CD2 HIS A 76 -19.025 -8.327 0.721 1.00 0.00 C ATOM 1100 CE1 HIS A 76 -20.559 -9.892 0.775 1.00 0.00 C ATOM 1101 NE2 HIS A 76 -19.387 -9.533 1.268 1.00 0.00 N ATOM 0 H HIS A 76 -20.090 -5.235 -2.971 1.00 0.00 H new ATOM 0 HA HIS A 76 -18.316 -5.639 -0.986 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -20.541 -5.920 -0.388 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -20.902 -6.944 -1.763 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -18.119 -7.776 0.927 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -21.098 -10.795 1.020 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -18.840 -10.065 1.945 1.00 0.00 H new ATOM 1110 N GLY A 77 -16.676 -7.375 -1.707 1.00 0.00 N ATOM 1111 CA GLY A 77 -15.752 -8.471 -1.934 1.00 0.00 C ATOM 1112 C GLY A 77 -14.544 -8.410 -1.021 1.00 0.00 C ATOM 1113 O GLY A 77 -14.636 -7.939 0.113 1.00 0.00 O ATOM 0 H GLY A 77 -16.245 -6.513 -1.372 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.271 -9.417 -1.782 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.420 -8.453 -2.972 1.00 0.00 H new ATOM 1117 N THR A 78 -13.406 -8.889 -1.514 1.00 0.00 N ATOM 1118 CA THR A 78 -12.175 -8.890 -0.734 1.00 0.00 C ATOM 1119 C THR A 78 -11.049 -8.186 -1.483 1.00 0.00 C ATOM 1120 O THR A 78 -10.510 -8.716 -2.455 1.00 0.00 O ATOM 1121 CB THR A 78 -11.729 -10.323 -0.389 1.00 0.00 C ATOM 1122 OG1 THR A 78 -12.747 -10.984 0.371 1.00 0.00 O ATOM 1123 CG2 THR A 78 -10.428 -10.311 0.398 1.00 0.00 C ATOM 0 H THR A 78 -13.312 -9.281 -2.451 1.00 0.00 H new ATOM 0 HA THR A 78 -12.386 -8.351 0.190 1.00 0.00 H new ATOM 0 HB THR A 78 -11.565 -10.863 -1.322 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.456 -11.895 0.585 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.134 -11.335 0.630 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.648 -9.835 -0.196 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.569 -9.755 1.325 1.00 0.00 H new ATOM 1131 N TYR A 79 -10.698 -6.990 -1.024 1.00 0.00 N ATOM 1132 CA TYR A 79 -9.636 -6.212 -1.652 1.00 0.00 C ATOM 1133 C TYR A 79 -8.263 -6.732 -1.239 1.00 0.00 C ATOM 1134 O TYR A 79 -7.976 -6.892 -0.052 1.00 0.00 O ATOM 1135 CB TYR A 79 -9.768 -4.735 -1.278 1.00 0.00 C ATOM 1136 CG TYR A 79 -10.933 -4.042 -1.948 1.00 0.00 C ATOM 1137 CD1 TYR A 79 -12.233 -4.228 -1.493 1.00 0.00 C ATOM 1138 CD2 TYR A 79 -10.734 -3.201 -3.035 1.00 0.00 C ATOM 1139 CE1 TYR A 79 -13.300 -3.598 -2.102 1.00 0.00 C ATOM 1140 CE2 TYR A 79 -11.795 -2.565 -3.650 1.00 0.00 C ATOM 1141 CZ TYR A 79 -13.076 -2.767 -3.181 1.00 0.00 C ATOM 1142 OH TYR A 79 -14.137 -2.136 -3.790 1.00 0.00 O ATOM 0 H TYR A 79 -11.133 -6.538 -0.220 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.734 -6.316 -2.733 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -9.879 -4.651 -0.197 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.846 -4.218 -1.545 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -12.412 -4.877 -0.648 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.732 -3.041 -3.406 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -14.304 -3.755 -1.736 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.622 -1.913 -4.494 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.611 -2.774 -4.364 1.00 0.00 H new ATOM 1152 N THR A 80 -7.414 -6.994 -2.229 1.00 0.00 N ATOM 1153 CA THR A 80 -6.071 -7.496 -1.971 1.00 0.00 C ATOM 1154 C THR A 80 -5.014 -6.484 -2.399 1.00 0.00 C ATOM 1155 O THR A 80 -4.879 -6.177 -3.584 1.00 0.00 O ATOM 1156 CB THR A 80 -5.818 -8.827 -2.704 1.00 0.00 C ATOM 1157 OG1 THR A 80 -6.782 -9.803 -2.294 1.00 0.00 O ATOM 1158 CG2 THR A 80 -4.415 -9.342 -2.422 1.00 0.00 C ATOM 0 H THR A 80 -7.634 -6.866 -3.217 1.00 0.00 H new ATOM 0 HA THR A 80 -5.997 -7.662 -0.896 1.00 0.00 H new ATOM 0 HB THR A 80 -5.914 -8.650 -3.775 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.615 -10.646 -2.766 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.260 -10.283 -2.950 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.683 -8.609 -2.763 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.295 -9.503 -1.351 1.00 0.00 H new ATOM 1166 N CYS A 81 -4.266 -5.971 -1.428 1.00 0.00 N ATOM 1167 CA CYS A 81 -3.220 -4.993 -1.705 1.00 0.00 C ATOM 1168 C CYS A 81 -1.850 -5.660 -1.750 1.00 0.00 C ATOM 1169 O CYS A 81 -1.223 -5.888 -0.714 1.00 0.00 O ATOM 1170 CB CYS A 81 -3.230 -3.891 -0.644 1.00 0.00 C ATOM 1171 SG CYS A 81 -2.164 -2.483 -1.033 1.00 0.00 S ATOM 0 H CYS A 81 -4.364 -6.216 -0.443 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.420 -4.550 -2.681 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.252 -3.535 -0.515 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.918 -4.317 0.310 1.00 0.00 H new ATOM 0 HG CYS A 81 -2.893 -1.419 -1.197 1.00 0.00 H new ATOM 1177 N LEU A 82 -1.390 -5.974 -2.956 1.00 0.00 N ATOM 1178 CA LEU A 82 -0.093 -6.617 -3.137 1.00 0.00 C ATOM 1179 C LEU A 82 1.031 -5.586 -3.144 1.00 0.00 C ATOM 1180 O LEU A 82 0.970 -4.592 -3.867 1.00 0.00 O ATOM 1181 CB LEU A 82 -0.076 -7.416 -4.442 1.00 0.00 C ATOM 1182 CG LEU A 82 1.302 -7.672 -5.054 1.00 0.00 C ATOM 1183 CD1 LEU A 82 2.200 -8.396 -4.063 1.00 0.00 C ATOM 1184 CD2 LEU A 82 1.173 -8.471 -6.342 1.00 0.00 C ATOM 0 H LEU A 82 -1.896 -5.794 -3.823 1.00 0.00 H new ATOM 0 HA LEU A 82 0.068 -7.296 -2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.556 -8.378 -4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.685 -6.888 -5.176 1.00 0.00 H new ATOM 0 HG LEU A 82 1.758 -6.711 -5.290 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.176 -8.570 -4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.319 -7.787 -3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.750 -9.352 -3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.163 -8.644 -6.764 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.697 -9.428 -6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.567 -7.914 -7.056 1.00 0.00 H new ATOM 1196 N ALA A 83 2.057 -5.831 -2.336 1.00 0.00 N ATOM 1197 CA ALA A 83 3.196 -4.926 -2.252 1.00 0.00 C ATOM 1198 C ALA A 83 4.512 -5.696 -2.278 1.00 0.00 C ATOM 1199 O ALA A 83 4.902 -6.308 -1.284 1.00 0.00 O ATOM 1200 CB ALA A 83 3.104 -4.076 -0.994 1.00 0.00 C ATOM 0 H ALA A 83 2.123 -6.649 -1.730 1.00 0.00 H new ATOM 0 HA ALA A 83 3.172 -4.270 -3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.962 -3.405 -0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.185 -3.490 -1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.099 -4.723 -0.117 1.00 0.00 H new ATOM 1206 N GLU A 84 5.191 -5.662 -3.420 1.00 0.00 N ATOM 1207 CA GLU A 84 6.462 -6.359 -3.574 1.00 0.00 C ATOM 1208 C GLU A 84 7.492 -5.467 -4.262 1.00 0.00 C ATOM 1209 O GLU A 84 7.139 -4.520 -4.964 1.00 0.00 O ATOM 1210 CB GLU A 84 6.270 -7.647 -4.377 1.00 0.00 C ATOM 1211 CG GLU A 84 5.781 -7.411 -5.797 1.00 0.00 C ATOM 1212 CD GLU A 84 5.488 -8.703 -6.535 1.00 0.00 C ATOM 1213 OE1 GLU A 84 6.258 -9.671 -6.366 1.00 0.00 O ATOM 1214 OE2 GLU A 84 4.487 -8.745 -7.281 1.00 0.00 O ATOM 0 H GLU A 84 4.882 -5.159 -4.252 1.00 0.00 H new ATOM 0 HA GLU A 84 6.831 -6.611 -2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.216 -8.188 -4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.556 -8.286 -3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.879 -6.800 -5.770 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.533 -6.845 -6.347 1.00 0.00 H new ATOM 1221 N ASN A 85 8.768 -5.776 -4.053 1.00 0.00 N ATOM 1222 CA ASN A 85 9.850 -5.003 -4.652 1.00 0.00 C ATOM 1223 C ASN A 85 11.036 -5.899 -4.991 1.00 0.00 C ATOM 1224 O ASN A 85 10.969 -7.119 -4.840 1.00 0.00 O ATOM 1225 CB ASN A 85 10.293 -3.888 -3.702 1.00 0.00 C ATOM 1226 CG ASN A 85 11.021 -4.422 -2.484 1.00 0.00 C ATOM 1227 OD1 ASN A 85 11.230 -5.628 -2.351 1.00 0.00 O ATOM 1228 ND2 ASN A 85 11.412 -3.524 -1.587 1.00 0.00 N ATOM 0 H ASN A 85 9.078 -6.556 -3.473 1.00 0.00 H new ATOM 0 HA ASN A 85 9.478 -4.559 -5.575 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.944 -3.196 -4.237 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.420 -3.320 -3.380 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.907 -3.824 -0.747 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.218 -2.534 -1.738 1.00 0.00 H new ATOM 1235 N ALA A 86 12.123 -5.286 -5.449 1.00 0.00 N ATOM 1236 CA ALA A 86 13.325 -6.027 -5.807 1.00 0.00 C ATOM 1237 C ALA A 86 13.910 -6.744 -4.594 1.00 0.00 C ATOM 1238 O ALA A 86 14.791 -7.594 -4.728 1.00 0.00 O ATOM 1239 CB ALA A 86 14.359 -5.094 -6.420 1.00 0.00 C ATOM 0 H ALA A 86 12.195 -4.277 -5.581 1.00 0.00 H new ATOM 0 HA ALA A 86 13.050 -6.781 -6.545 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.252 -5.662 -6.682 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.946 -4.632 -7.317 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.621 -4.318 -5.700 1.00 0.00 H new ATOM 1245 N LEU A 87 13.415 -6.395 -3.412 1.00 0.00 N ATOM 1246 CA LEU A 87 13.889 -7.005 -2.174 1.00 0.00 C ATOM 1247 C LEU A 87 13.010 -8.187 -1.778 1.00 0.00 C ATOM 1248 O LEU A 87 13.400 -9.343 -1.932 1.00 0.00 O ATOM 1249 CB LEU A 87 13.910 -5.970 -1.048 1.00 0.00 C ATOM 1250 CG LEU A 87 15.209 -5.181 -0.886 1.00 0.00 C ATOM 1251 CD1 LEU A 87 16.177 -5.927 0.019 1.00 0.00 C ATOM 1252 CD2 LEU A 87 15.843 -4.913 -2.243 1.00 0.00 C ATOM 0 H LEU A 87 12.686 -5.693 -3.284 1.00 0.00 H new ATOM 0 HA LEU A 87 14.902 -7.370 -2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 87 13.098 -5.263 -1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.699 -6.481 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 87 14.975 -4.223 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 87 17.096 -5.350 0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 87 15.724 -6.067 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 87 16.406 -6.900 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.767 -4.350 -2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 87 16.064 -5.860 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 87 15.153 -4.336 -2.859 1.00 0.00 H new ATOM 1264 N GLY A 88 11.819 -7.888 -1.268 1.00 0.00 N ATOM 1265 CA GLY A 88 10.902 -8.936 -0.860 1.00 0.00 C ATOM 1266 C GLY A 88 9.557 -8.832 -1.552 1.00 0.00 C ATOM 1267 O GLY A 88 9.427 -8.152 -2.570 1.00 0.00 O ATOM 0 H GLY A 88 11.473 -6.938 -1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.345 -9.908 -1.078 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.757 -8.887 0.219 1.00 0.00 H new ATOM 1271 N GLN A 89 8.555 -9.508 -0.999 1.00 0.00 N ATOM 1272 CA GLN A 89 7.214 -9.490 -1.572 1.00 0.00 C ATOM 1273 C GLN A 89 6.172 -9.881 -0.529 1.00 0.00 C ATOM 1274 O GLN A 89 6.270 -10.936 0.097 1.00 0.00 O ATOM 1275 CB GLN A 89 7.136 -10.439 -2.769 1.00 0.00 C ATOM 1276 CG GLN A 89 6.946 -11.896 -2.380 1.00 0.00 C ATOM 1277 CD GLN A 89 5.485 -12.282 -2.260 1.00 0.00 C ATOM 1278 OE1 GLN A 89 5.053 -12.810 -1.234 1.00 0.00 O ATOM 1279 NE2 GLN A 89 4.715 -12.021 -3.310 1.00 0.00 N ATOM 0 H GLN A 89 8.646 -10.074 -0.156 1.00 0.00 H new ATOM 0 HA GLN A 89 7.002 -8.475 -1.908 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.310 -10.133 -3.411 1.00 0.00 H new ATOM 0 HB3 GLN A 89 8.049 -10.345 -3.357 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.426 -12.532 -3.124 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.446 -12.083 -1.430 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.115 -11.582 -4.139 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.723 -12.259 -3.287 1.00 0.00 H new ATOM 1288 N VAL A 90 5.173 -9.022 -0.348 1.00 0.00 N ATOM 1289 CA VAL A 90 4.112 -9.278 0.618 1.00 0.00 C ATOM 1290 C VAL A 90 2.744 -8.947 0.032 1.00 0.00 C ATOM 1291 O VAL A 90 2.640 -8.224 -0.959 1.00 0.00 O ATOM 1292 CB VAL A 90 4.317 -8.460 1.907 1.00 0.00 C ATOM 1293 CG1 VAL A 90 5.688 -8.739 2.504 1.00 0.00 C ATOM 1294 CG2 VAL A 90 4.140 -6.975 1.629 1.00 0.00 C ATOM 0 H VAL A 90 5.077 -8.144 -0.858 1.00 0.00 H new ATOM 0 HA VAL A 90 4.154 -10.340 0.860 1.00 0.00 H new ATOM 0 HB VAL A 90 3.562 -8.763 2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.815 -8.152 3.414 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.773 -9.800 2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.460 -8.465 1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.288 -6.412 2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.871 -6.654 0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.134 -6.793 1.251 1.00 0.00 H new ATOM 1304 N SER A 91 1.696 -9.482 0.651 1.00 0.00 N ATOM 1305 CA SER A 91 0.333 -9.247 0.188 1.00 0.00 C ATOM 1306 C SER A 91 -0.658 -9.347 1.344 1.00 0.00 C ATOM 1307 O SER A 91 -0.470 -10.137 2.270 1.00 0.00 O ATOM 1308 CB SER A 91 -0.038 -10.251 -0.905 1.00 0.00 C ATOM 1309 OG SER A 91 -0.297 -11.531 -0.355 1.00 0.00 O ATOM 0 H SER A 91 1.765 -10.081 1.474 1.00 0.00 H new ATOM 0 HA SER A 91 0.284 -8.239 -0.224 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.918 -9.898 -1.444 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.773 -10.321 -1.630 1.00 0.00 H new ATOM 0 HG SER A 91 -0.533 -12.154 -1.074 1.00 0.00 H new ATOM 1315 N CYS A 92 -1.712 -8.541 1.283 1.00 0.00 N ATOM 1316 CA CYS A 92 -2.733 -8.537 2.324 1.00 0.00 C ATOM 1317 C CYS A 92 -4.130 -8.481 1.715 1.00 0.00 C ATOM 1318 O CYS A 92 -4.305 -8.047 0.577 1.00 0.00 O ATOM 1319 CB CYS A 92 -2.526 -7.351 3.266 1.00 0.00 C ATOM 1320 SG CYS A 92 -3.056 -5.763 2.581 1.00 0.00 S ATOM 0 H CYS A 92 -1.882 -7.882 0.523 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.641 -9.463 2.892 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -3.072 -7.536 4.191 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.469 -7.288 3.527 1.00 0.00 H new ATOM 0 HG CYS A 92 -2.843 -4.822 3.452 1.00 0.00 H new ATOM 1326 N SER A 93 -5.122 -8.925 2.481 1.00 0.00 N ATOM 1327 CA SER A 93 -6.504 -8.931 2.015 1.00 0.00 C ATOM 1328 C SER A 93 -7.426 -8.278 3.040 1.00 0.00 C ATOM 1329 O SER A 93 -7.161 -8.315 4.242 1.00 0.00 O ATOM 1330 CB SER A 93 -6.965 -10.363 1.737 1.00 0.00 C ATOM 1331 OG SER A 93 -6.736 -11.199 2.858 1.00 0.00 O ATOM 0 H SER A 93 -4.994 -9.285 3.427 1.00 0.00 H new ATOM 0 HA SER A 93 -6.552 -8.356 1.090 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.026 -10.365 1.489 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.434 -10.758 0.871 1.00 0.00 H new ATOM 0 HG SER A 93 -7.041 -12.108 2.656 1.00 0.00 H new ATOM 1337 N ALA A 94 -8.509 -7.679 2.556 1.00 0.00 N ATOM 1338 CA ALA A 94 -9.472 -7.019 3.429 1.00 0.00 C ATOM 1339 C ALA A 94 -10.902 -7.353 3.021 1.00 0.00 C ATOM 1340 O ALA A 94 -11.221 -7.410 1.833 1.00 0.00 O ATOM 1341 CB ALA A 94 -9.253 -5.514 3.413 1.00 0.00 C ATOM 0 H ALA A 94 -8.742 -7.637 1.564 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.317 -7.386 4.444 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.979 -5.034 4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.245 -5.289 3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.378 -5.139 2.397 1.00 0.00 H new ATOM 1347 N TRP A 95 -11.759 -7.573 4.011 1.00 0.00 N ATOM 1348 CA TRP A 95 -13.157 -7.901 3.753 1.00 0.00 C ATOM 1349 C TRP A 95 -14.047 -6.677 3.935 1.00 0.00 C ATOM 1350 O TRP A 95 -14.327 -6.262 5.059 1.00 0.00 O ATOM 1351 CB TRP A 95 -13.618 -9.024 4.684 1.00 0.00 C ATOM 1352 CG TRP A 95 -15.000 -9.518 4.380 1.00 0.00 C ATOM 1353 CD1 TRP A 95 -16.168 -8.826 4.527 1.00 0.00 C ATOM 1354 CD2 TRP A 95 -15.358 -10.811 3.880 1.00 0.00 C ATOM 1355 NE1 TRP A 95 -17.231 -9.610 4.148 1.00 0.00 N ATOM 1356 CE2 TRP A 95 -16.760 -10.832 3.746 1.00 0.00 C ATOM 1357 CE3 TRP A 95 -14.630 -11.951 3.529 1.00 0.00 C ATOM 1358 CZ2 TRP A 95 -17.446 -11.950 3.279 1.00 0.00 C ATOM 1359 CZ3 TRP A 95 -15.313 -13.060 3.066 1.00 0.00 C ATOM 1360 CH2 TRP A 95 -16.708 -13.053 2.943 1.00 0.00 C ATOM 0 H TRP A 95 -11.511 -7.530 5.000 1.00 0.00 H new ATOM 0 HA TRP A 95 -13.240 -8.237 2.719 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -12.918 -9.857 4.612 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -13.585 -8.669 5.714 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -16.245 -7.811 4.888 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -18.211 -9.328 4.163 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -13.554 -11.965 3.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -18.522 -11.947 3.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -14.761 -13.948 2.794 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -17.212 -13.935 2.576 1.00 0.00 H new ATOM 1371 N VAL A 96 -14.489 -6.102 2.821 1.00 0.00 N ATOM 1372 CA VAL A 96 -15.349 -4.925 2.858 1.00 0.00 C ATOM 1373 C VAL A 96 -16.792 -5.287 2.523 1.00 0.00 C ATOM 1374 O VAL A 96 -17.067 -5.894 1.487 1.00 0.00 O ATOM 1375 CB VAL A 96 -14.862 -3.843 1.876 1.00 0.00 C ATOM 1376 CG1 VAL A 96 -15.769 -2.624 1.931 1.00 0.00 C ATOM 1377 CG2 VAL A 96 -13.421 -3.459 2.178 1.00 0.00 C ATOM 0 H VAL A 96 -14.266 -6.432 1.882 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.303 -4.531 3.873 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.902 -4.250 0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -15.409 -1.871 1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -16.785 -2.914 1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -15.765 -2.212 2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.093 -2.694 1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.353 -3.071 3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -12.783 -4.337 2.082 1.00 0.00 H new ATOM 1387 N THR A 97 -17.711 -4.910 3.406 1.00 0.00 N ATOM 1388 CA THR A 97 -19.126 -5.196 3.205 1.00 0.00 C ATOM 1389 C THR A 97 -19.904 -3.924 2.888 1.00 0.00 C ATOM 1390 O THR A 97 -19.640 -2.865 3.457 1.00 0.00 O ATOM 1391 CB THR A 97 -19.745 -5.868 4.445 1.00 0.00 C ATOM 1392 OG1 THR A 97 -18.894 -6.922 4.908 1.00 0.00 O ATOM 1393 CG2 THR A 97 -21.124 -6.426 4.126 1.00 0.00 C ATOM 0 H THR A 97 -17.501 -4.406 4.267 1.00 0.00 H new ATOM 0 HA THR A 97 -19.193 -5.880 2.359 1.00 0.00 H new ATOM 0 HB THR A 97 -19.847 -5.115 5.226 1.00 0.00 H new ATOM 0 HG1 THR A 97 -19.294 -7.343 5.697 1.00 0.00 H new ATOM 0 HG21 THR A 97 -21.541 -6.896 5.017 1.00 0.00 H new ATOM 0 HG22 THR A 97 -21.778 -5.616 3.802 1.00 0.00 H new ATOM 0 HG23 THR A 97 -21.042 -7.166 3.330 1.00 0.00 H new ATOM 1401 N VAL A 98 -20.866 -4.035 1.977 1.00 0.00 N ATOM 1402 CA VAL A 98 -21.684 -2.894 1.586 1.00 0.00 C ATOM 1403 C VAL A 98 -23.159 -3.151 1.873 1.00 0.00 C ATOM 1404 O VAL A 98 -23.764 -4.060 1.303 1.00 0.00 O ATOM 1405 CB VAL A 98 -21.513 -2.566 0.091 1.00 0.00 C ATOM 1406 CG1 VAL A 98 -22.251 -1.284 -0.263 1.00 0.00 C ATOM 1407 CG2 VAL A 98 -20.038 -2.457 -0.264 1.00 0.00 C ATOM 0 H VAL A 98 -21.098 -4.904 1.496 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.344 -2.044 2.178 1.00 0.00 H new ATOM 0 HB VAL A 98 -21.945 -3.378 -0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -22.118 -1.069 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.313 -1.404 -0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -21.851 -0.459 0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -19.935 -2.225 -1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -19.579 -1.665 0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -19.541 -3.403 -0.050 1.00 0.00 H new ATOM 1417 N HIS A 99 -23.734 -2.344 2.760 1.00 0.00 N ATOM 1418 CA HIS A 99 -25.140 -2.484 3.122 1.00 0.00 C ATOM 1419 C HIS A 99 -26.030 -2.397 1.886 1.00 0.00 C ATOM 1420 O HIS A 99 -26.790 -3.321 1.591 1.00 0.00 O ATOM 1421 CB HIS A 99 -25.539 -1.405 4.129 1.00 0.00 C ATOM 1422 CG HIS A 99 -24.780 -1.479 5.418 1.00 0.00 C ATOM 1423 ND1 HIS A 99 -24.771 -2.599 6.223 1.00 0.00 N ATOM 1424 CD2 HIS A 99 -24.001 -0.564 6.041 1.00 0.00 C ATOM 1425 CE1 HIS A 99 -24.021 -2.369 7.285 1.00 0.00 C ATOM 1426 NE2 HIS A 99 -23.541 -1.142 7.199 1.00 0.00 N ATOM 0 H HIS A 99 -23.248 -1.587 3.241 1.00 0.00 H new ATOM 0 HA HIS A 99 -25.277 -3.464 3.578 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -25.382 -0.424 3.680 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -26.605 -1.492 4.339 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -23.782 0.434 5.693 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -23.832 -3.066 8.088 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -22.928 -0.696 7.882 1.00 0.00 H new TER 1435 HIS A 99