USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 899 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 40 TYR OH : rot -166:sc= -0.46 USER MOD Set 1.2: A 67 LYS NZ :NH3+ -176:sc= -0.291 (180deg=-0.34) USER MOD Set 2.1: A 30 ASN : amide:sc= 0.551 K(o=1.2,f=-2.3) USER MOD Set 2.2: A 34 LYS NZ :NH3+ -161:sc= 0.644 (180deg=-0.0906) USER MOD Set 3.1: A 18 THR OG1 : rot 180:sc= 0.166 USER MOD Set 3.2: A 21 SER OG : rot 90:sc= 0.181 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.174 (180deg=-0.249) USER MOD Single : A 6 LYS NZ :NH3+ -161:sc= -0.094 (180deg=-0.439) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.087 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 155:sc= 1.21 USER MOD Single : A 17 ASN : amide:sc= -0.09 K(o=-0.09,f=-1.3) USER MOD Single : A 20 ASN : amide:sc=-0.00122 K(o=-0.0012,f=-1.3) USER MOD Single : A 26 LYS NZ :NH3+ 168:sc= -0.0204 (180deg=-0.158) USER MOD Single : A 27 THR OG1 : rot 85:sc= 1.23 USER MOD Single : A 37 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.16) USER MOD Single : A 43 LYS NZ :NH3+ -161:sc= -0.0265 (180deg=-0.224) USER MOD Single : A 49 LYS NZ :NH3+ 148:sc= 1.22 (180deg=0.0977) USER MOD Single : A 50 ASN : amide:sc= -1.17 K(o=-1.2,f=-7.4!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 168:sc= -0.0127 (180deg=-0.153) USER MOD Single : A 62 THR OG1 : rot 130:sc= 0 USER MOD Single : A 64 THR OG1 : rot -93:sc= -0.384! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -1.2! C(o=-1.2!,f=-9.4!) USER MOD Single : A 85 LYS NZ :NH3+ -171:sc=-0.00219 (180deg=-0.0899) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 165:sc= -0.0525 (180deg=-0.3) USER MOD Single : A 106 LYS NZ :NH3+ -168:sc=-0.00883 (180deg=-0.149) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.766 -12.925 -18.685 1.00 0.00 N ATOM 2 CA MET A 1 -16.962 -13.116 -19.922 1.00 0.00 C ATOM 3 C MET A 1 -15.579 -12.491 -19.768 1.00 0.00 C ATOM 4 O MET A 1 -14.725 -12.618 -20.644 1.00 0.00 O ATOM 5 CB MET A 1 -17.682 -12.492 -21.121 1.00 0.00 C ATOM 6 CG MET A 1 -18.932 -13.248 -21.542 1.00 0.00 C ATOM 7 SD MET A 1 -19.783 -12.464 -22.924 1.00 0.00 S ATOM 8 CE MET A 1 -21.086 -13.653 -23.239 1.00 0.00 C ATOM 0 H1 MET A 1 -18.624 -13.510 -18.735 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.202 -13.207 -17.858 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.034 -11.924 -18.596 1.00 0.00 H new ATOM 0 HA MET A 1 -16.844 -14.186 -20.091 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.954 -11.465 -20.877 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.993 -12.447 -21.965 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.660 -14.267 -21.818 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.613 -13.318 -20.694 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.700 -13.308 -24.070 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.645 -14.618 -23.490 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.706 -13.758 -22.349 1.00 0.00 H new ATOM 20 N ALA A 2 -15.372 -11.817 -18.645 1.00 0.00 N ATOM 21 CA ALA A 2 -14.096 -11.168 -18.366 1.00 0.00 C ATOM 22 C ALA A 2 -13.311 -11.940 -17.310 1.00 0.00 C ATOM 23 O ALA A 2 -13.719 -11.999 -16.149 1.00 0.00 O ATOM 24 CB ALA A 2 -14.322 -9.733 -17.913 1.00 0.00 C ATOM 0 H ALA A 2 -16.071 -11.705 -17.911 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.510 -11.159 -19.285 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.361 -9.261 -17.708 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.838 -9.181 -18.698 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.929 -9.729 -17.008 1.00 0.00 H new ATOM 30 N PRO A 3 -12.178 -12.559 -17.706 1.00 0.00 N ATOM 31 CA PRO A 3 -11.323 -13.327 -16.786 1.00 0.00 C ATOM 32 C PRO A 3 -10.791 -12.479 -15.635 1.00 0.00 C ATOM 33 O PRO A 3 -10.477 -11.301 -15.810 1.00 0.00 O ATOM 34 CB PRO A 3 -10.168 -13.796 -17.680 1.00 0.00 C ATOM 35 CG PRO A 3 -10.724 -13.758 -19.061 1.00 0.00 C ATOM 36 CD PRO A 3 -11.650 -12.578 -19.082 1.00 0.00 C ATOM 0 HA PRO A 3 -11.871 -14.139 -16.309 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.301 -13.142 -17.583 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.841 -14.801 -17.411 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.931 -13.649 -19.801 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.256 -14.680 -19.296 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.125 -11.655 -19.327 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.444 -12.699 -19.819 1.00 0.00 H new ATOM 44 N LEU A 4 -10.680 -13.089 -14.461 1.00 0.00 N ATOM 45 CA LEU A 4 -10.199 -12.383 -13.283 1.00 0.00 C ATOM 46 C LEU A 4 -8.779 -12.822 -12.937 1.00 0.00 C ATOM 47 O LEU A 4 -8.464 -14.013 -12.955 1.00 0.00 O ATOM 48 CB LEU A 4 -11.133 -12.633 -12.097 1.00 0.00 C ATOM 49 CG LEU A 4 -12.605 -12.293 -12.348 1.00 0.00 C ATOM 50 CD1 LEU A 4 -13.439 -12.571 -11.108 1.00 0.00 C ATOM 51 CD2 LEU A 4 -12.758 -10.844 -12.784 1.00 0.00 C ATOM 0 H LEU A 4 -10.916 -14.068 -14.301 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.187 -11.315 -13.502 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.062 -13.683 -11.813 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.781 -12.048 -11.247 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.968 -12.930 -13.154 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.481 -12.323 -11.307 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -13.361 -13.626 -10.846 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.073 -11.964 -10.280 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.812 -10.625 -12.957 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.374 -10.187 -12.004 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.198 -10.680 -13.705 1.00 0.00 H new ATOM 63 N ARG A 5 -7.931 -11.853 -12.616 1.00 0.00 N ATOM 64 CA ARG A 5 -6.539 -12.124 -12.273 1.00 0.00 C ATOM 65 C ARG A 5 -6.172 -11.454 -10.954 1.00 0.00 C ATOM 66 O ARG A 5 -6.867 -10.544 -10.500 1.00 0.00 O ATOM 67 CB ARG A 5 -5.596 -11.642 -13.385 1.00 0.00 C ATOM 68 CG ARG A 5 -5.797 -12.349 -14.721 1.00 0.00 C ATOM 69 CD ARG A 5 -6.788 -11.609 -15.605 1.00 0.00 C ATOM 70 NE ARG A 5 -6.220 -10.390 -16.170 1.00 0.00 N ATOM 71 CZ ARG A 5 -6.936 -9.468 -16.807 1.00 0.00 C ATOM 72 NH1 ARG A 5 -8.250 -9.614 -16.933 1.00 0.00 N ATOM 73 NH2 ARG A 5 -6.339 -8.395 -17.311 1.00 0.00 N ATOM 0 H ARG A 5 -8.185 -10.865 -12.586 1.00 0.00 H new ATOM 0 HA ARG A 5 -6.425 -13.203 -12.165 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.738 -10.571 -13.528 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.565 -11.787 -13.061 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.840 -12.431 -15.237 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -6.153 -13.364 -14.546 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -7.112 -12.265 -16.413 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -7.675 -11.359 -15.023 1.00 0.00 H new ATOM 0 HE ARG A 5 -5.217 -10.236 -16.071 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.712 -10.434 -16.541 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -8.797 -8.906 -17.422 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.331 -8.278 -17.210 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -6.888 -7.688 -17.800 1.00 0.00 H new ATOM 87 N LYS A 6 -5.086 -11.921 -10.338 1.00 0.00 N ATOM 88 CA LYS A 6 -4.618 -11.368 -9.066 1.00 0.00 C ATOM 89 C LYS A 6 -4.240 -9.901 -9.203 1.00 0.00 C ATOM 90 O LYS A 6 -4.499 -9.095 -8.309 1.00 0.00 O ATOM 91 CB LYS A 6 -3.428 -12.165 -8.540 1.00 0.00 C ATOM 92 CG LYS A 6 -3.807 -13.557 -8.056 1.00 0.00 C ATOM 93 CD LYS A 6 -2.815 -14.088 -7.034 1.00 0.00 C ATOM 94 CE LYS A 6 -1.480 -14.464 -7.663 1.00 0.00 C ATOM 95 NZ LYS A 6 -1.629 -15.536 -8.685 1.00 0.00 N ATOM 0 H LYS A 6 -4.512 -12.683 -10.700 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.440 -11.443 -8.354 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.680 -12.252 -9.328 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.965 -11.616 -7.720 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.804 -13.530 -7.615 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.853 -14.238 -8.906 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.651 -13.334 -6.264 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.239 -14.962 -6.539 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.035 -13.582 -8.124 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.793 -14.797 -6.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.706 -15.985 -8.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.304 -16.250 -8.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.981 -15.123 -9.572 1.00 0.00 H new ATOM 109 N THR A 7 -3.620 -9.563 -10.320 1.00 0.00 N ATOM 110 CA THR A 7 -3.216 -8.191 -10.578 1.00 0.00 C ATOM 111 C THR A 7 -4.383 -7.372 -11.111 1.00 0.00 C ATOM 112 O THR A 7 -4.988 -7.711 -12.129 1.00 0.00 O ATOM 113 CB THR A 7 -2.052 -8.119 -11.581 1.00 0.00 C ATOM 114 OG1 THR A 7 -2.088 -9.257 -12.454 1.00 0.00 O ATOM 115 CG2 THR A 7 -0.712 -8.056 -10.865 1.00 0.00 C ATOM 0 H THR A 7 -3.385 -10.220 -11.064 1.00 0.00 H new ATOM 0 HA THR A 7 -2.884 -7.777 -9.626 1.00 0.00 H new ATOM 0 HB THR A 7 -2.165 -7.208 -12.168 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.345 -9.204 -13.091 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.091 -8.006 -11.600 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.680 -7.170 -10.231 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.586 -8.947 -10.250 1.00 0.00 H new ATOM 123 N ALA A 8 -4.685 -6.290 -10.414 1.00 0.00 N ATOM 124 CA ALA A 8 -5.777 -5.408 -10.796 1.00 0.00 C ATOM 125 C ALA A 8 -5.265 -4.206 -11.572 1.00 0.00 C ATOM 126 O ALA A 8 -4.123 -3.777 -11.393 1.00 0.00 O ATOM 127 CB ALA A 8 -6.538 -4.962 -9.563 1.00 0.00 C ATOM 0 H ALA A 8 -4.185 -5.999 -9.574 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.453 -5.961 -11.448 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.354 -4.302 -9.858 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.944 -5.834 -9.051 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.864 -4.429 -8.893 1.00 0.00 H new ATOM 133 N VAL A 9 -6.116 -3.657 -12.430 1.00 0.00 N ATOM 134 CA VAL A 9 -5.741 -2.508 -13.236 1.00 0.00 C ATOM 135 C VAL A 9 -6.514 -1.274 -12.790 1.00 0.00 C ATOM 136 O VAL A 9 -7.747 -1.264 -12.766 1.00 0.00 O ATOM 137 CB VAL A 9 -5.994 -2.759 -14.740 1.00 0.00 C ATOM 138 CG1 VAL A 9 -5.611 -1.537 -15.572 1.00 0.00 C ATOM 139 CG2 VAL A 9 -5.225 -3.987 -15.212 1.00 0.00 C ATOM 0 H VAL A 9 -7.068 -3.990 -12.584 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.673 -2.344 -13.092 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.060 -2.941 -14.877 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.799 -1.741 -16.626 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.207 -0.681 -15.256 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.553 -1.316 -15.428 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.414 -4.149 -16.273 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.158 -3.831 -15.054 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.552 -4.860 -14.647 1.00 0.00 H new ATOM 149 N LEU A 10 -5.775 -0.235 -12.448 1.00 0.00 N ATOM 150 CA LEU A 10 -6.364 1.019 -12.011 1.00 0.00 C ATOM 151 C LEU A 10 -6.068 2.074 -13.060 1.00 0.00 C ATOM 152 O LEU A 10 -4.918 2.223 -13.479 1.00 0.00 O ATOM 153 CB LEU A 10 -5.775 1.442 -10.658 1.00 0.00 C ATOM 154 CG LEU A 10 -6.751 1.498 -9.471 1.00 0.00 C ATOM 155 CD1 LEU A 10 -7.776 2.608 -9.651 1.00 0.00 C ATOM 156 CD2 LEU A 10 -7.443 0.160 -9.273 1.00 0.00 C ATOM 0 H LEU A 10 -4.755 -0.235 -12.465 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.441 0.901 -11.890 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.970 0.751 -10.406 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.324 2.427 -10.775 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.169 1.719 -8.576 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.451 2.622 -8.796 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.264 3.568 -9.725 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.348 2.431 -10.562 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.128 0.226 -8.428 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.001 -0.098 -10.173 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.697 -0.610 -9.076 1.00 0.00 H new ATOM 168 N LYS A 11 -7.076 2.821 -13.484 1.00 0.00 N ATOM 169 CA LYS A 11 -6.850 3.841 -14.492 1.00 0.00 C ATOM 170 C LYS A 11 -7.073 5.222 -13.906 1.00 0.00 C ATOM 171 O LYS A 11 -8.094 5.488 -13.270 1.00 0.00 O ATOM 172 CB LYS A 11 -7.741 3.650 -15.727 1.00 0.00 C ATOM 173 CG LYS A 11 -7.383 2.434 -16.563 1.00 0.00 C ATOM 174 CD LYS A 11 -8.263 2.333 -17.798 1.00 0.00 C ATOM 175 CE LYS A 11 -7.884 1.138 -18.656 1.00 0.00 C ATOM 176 NZ LYS A 11 -8.744 1.025 -19.867 1.00 0.00 N ATOM 0 H LYS A 11 -8.038 2.743 -13.154 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.814 3.743 -14.816 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.779 3.564 -15.404 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.674 4.541 -16.352 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.337 2.492 -16.863 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.492 1.532 -15.961 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.307 2.249 -17.496 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.174 3.247 -18.385 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.841 1.226 -18.959 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.969 0.226 -18.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.452 0.197 -20.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.737 0.915 -19.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.644 1.884 -20.445 1.00 0.00 H new ATOM 190 N LEU A 12 -6.100 6.091 -14.115 1.00 0.00 N ATOM 191 CA LEU A 12 -6.186 7.450 -13.628 1.00 0.00 C ATOM 192 C LEU A 12 -6.377 8.386 -14.802 1.00 0.00 C ATOM 193 O LEU A 12 -5.547 8.414 -15.712 1.00 0.00 O ATOM 194 CB LEU A 12 -4.916 7.832 -12.861 1.00 0.00 C ATOM 195 CG LEU A 12 -5.141 8.464 -11.483 1.00 0.00 C ATOM 196 CD1 LEU A 12 -3.809 8.779 -10.823 1.00 0.00 C ATOM 197 CD2 LEU A 12 -5.988 9.724 -11.594 1.00 0.00 C ATOM 0 H LEU A 12 -5.240 5.876 -14.620 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.034 7.530 -12.948 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.306 6.938 -12.736 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.340 8.528 -13.471 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.679 7.747 -10.863 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.984 9.227 -9.845 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.236 7.860 -10.703 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.250 9.476 -11.447 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.133 10.153 -10.603 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.481 10.448 -12.232 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.957 9.474 -12.027 1.00 0.00 H new ATOM 209 N TYR A 13 -7.448 9.151 -14.805 1.00 0.00 N ATOM 210 CA TYR A 13 -7.704 10.076 -15.888 1.00 0.00 C ATOM 211 C TYR A 13 -7.263 11.461 -15.449 1.00 0.00 C ATOM 212 O TYR A 13 -7.753 11.987 -14.447 1.00 0.00 O ATOM 213 CB TYR A 13 -9.195 10.068 -16.228 1.00 0.00 C ATOM 214 CG TYR A 13 -9.693 8.717 -16.705 1.00 0.00 C ATOM 215 CD1 TYR A 13 -10.139 7.760 -15.799 1.00 0.00 C ATOM 216 CD2 TYR A 13 -9.719 8.398 -18.056 1.00 0.00 C ATOM 217 CE1 TYR A 13 -10.591 6.528 -16.226 1.00 0.00 C ATOM 218 CE2 TYR A 13 -10.173 7.165 -18.490 1.00 0.00 C ATOM 219 CZ TYR A 13 -10.607 6.235 -17.571 1.00 0.00 C ATOM 220 OH TYR A 13 -11.058 5.005 -17.995 1.00 0.00 O ATOM 0 H TYR A 13 -8.155 9.151 -14.070 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.149 9.783 -16.779 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -9.763 10.367 -15.347 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.389 10.813 -17.000 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -10.131 7.985 -14.743 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -9.379 9.124 -18.780 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -10.931 5.797 -15.508 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -10.187 6.933 -19.545 1.00 0.00 H new ATOM 0 HH TYR A 13 -11.384 5.076 -18.916 1.00 0.00 H new ATOM 230 N VAL A 14 -6.337 12.049 -16.186 1.00 0.00 N ATOM 231 CA VAL A 14 -5.818 13.359 -15.834 1.00 0.00 C ATOM 232 C VAL A 14 -5.937 14.331 -16.994 1.00 0.00 C ATOM 233 O VAL A 14 -6.066 13.925 -18.152 1.00 0.00 O ATOM 234 CB VAL A 14 -4.333 13.278 -15.402 1.00 0.00 C ATOM 235 CG1 VAL A 14 -4.180 12.417 -14.156 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.463 12.742 -16.532 1.00 0.00 C ATOM 0 H VAL A 14 -5.930 11.642 -17.028 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.419 13.719 -14.999 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.998 14.288 -15.166 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.129 12.374 -13.870 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.760 12.850 -13.341 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.541 11.410 -14.363 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.425 12.696 -16.202 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.801 11.743 -16.809 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.540 13.403 -17.395 1.00 0.00 H new ATOM 246 N ALA A 15 -5.883 15.615 -16.679 1.00 0.00 N ATOM 247 CA ALA A 15 -5.971 16.642 -17.696 1.00 0.00 C ATOM 248 C ALA A 15 -4.662 17.413 -17.754 1.00 0.00 C ATOM 249 O ALA A 15 -4.376 18.244 -16.888 1.00 0.00 O ATOM 250 CB ALA A 15 -7.144 17.576 -17.431 1.00 0.00 C ATOM 0 H ALA A 15 -5.779 15.967 -15.727 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.146 16.168 -18.662 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.186 18.337 -18.210 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.072 17.004 -17.432 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.015 18.056 -16.461 1.00 0.00 H new ATOM 256 N GLY A 16 -3.874 17.135 -18.793 1.00 0.00 N ATOM 257 CA GLY A 16 -2.589 17.792 -18.959 1.00 0.00 C ATOM 258 C GLY A 16 -1.642 17.498 -17.816 1.00 0.00 C ATOM 259 O GLY A 16 -1.468 16.343 -17.429 1.00 0.00 O ATOM 0 H GLY A 16 -4.106 16.463 -19.525 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.136 17.468 -19.896 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.741 18.869 -19.034 1.00 0.00 H new ATOM 263 N ASN A 17 -1.030 18.540 -17.271 1.00 0.00 N ATOM 264 CA ASN A 17 -0.101 18.381 -16.162 1.00 0.00 C ATOM 265 C ASN A 17 -0.372 19.435 -15.098 1.00 0.00 C ATOM 266 O ASN A 17 0.532 20.150 -14.663 1.00 0.00 O ATOM 267 CB ASN A 17 1.346 18.484 -16.656 1.00 0.00 C ATOM 268 CG ASN A 17 2.317 17.715 -15.783 1.00 0.00 C ATOM 269 OD1 ASN A 17 2.017 16.612 -15.327 1.00 0.00 O ATOM 270 ND2 ASN A 17 3.487 18.291 -15.545 1.00 0.00 N ATOM 0 H ASN A 17 -1.160 19.504 -17.579 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.246 17.393 -15.724 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.405 18.107 -17.677 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.642 19.533 -16.685 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.179 17.818 -14.964 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.695 19.207 -15.943 1.00 0.00 H new ATOM 277 N THR A 18 -1.634 19.538 -14.701 1.00 0.00 N ATOM 278 CA THR A 18 -2.040 20.492 -13.681 1.00 0.00 C ATOM 279 C THR A 18 -1.608 20.001 -12.310 1.00 0.00 C ATOM 280 O THR A 18 -1.365 18.808 -12.131 1.00 0.00 O ATOM 281 CB THR A 18 -3.567 20.715 -13.693 1.00 0.00 C ATOM 282 OG1 THR A 18 -4.251 19.486 -13.408 1.00 0.00 O ATOM 283 CG2 THR A 18 -4.026 21.260 -15.036 1.00 0.00 C ATOM 0 H THR A 18 -2.395 18.970 -15.072 1.00 0.00 H new ATOM 0 HA THR A 18 -1.555 21.443 -13.901 1.00 0.00 H new ATOM 0 HB THR A 18 -3.807 21.447 -12.922 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.219 19.641 -13.417 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.106 21.408 -15.019 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.532 22.212 -15.230 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.770 20.551 -15.823 1.00 0.00 H new ATOM 291 N PRO A 19 -1.495 20.905 -11.321 1.00 0.00 N ATOM 292 CA PRO A 19 -1.087 20.526 -9.962 1.00 0.00 C ATOM 293 C PRO A 19 -1.956 19.418 -9.376 1.00 0.00 C ATOM 294 O PRO A 19 -1.451 18.546 -8.678 1.00 0.00 O ATOM 295 CB PRO A 19 -1.237 21.836 -9.177 1.00 0.00 C ATOM 296 CG PRO A 19 -1.043 22.895 -10.207 1.00 0.00 C ATOM 297 CD PRO A 19 -1.701 22.364 -11.446 1.00 0.00 C ATOM 0 HA PRO A 19 -0.078 20.115 -9.930 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.218 21.910 -8.707 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.496 21.912 -8.381 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.495 23.836 -9.894 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.016 23.090 -10.376 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.759 22.622 -11.485 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.242 22.762 -12.351 1.00 0.00 H new ATOM 305 N ASN A 20 -3.259 19.450 -9.663 1.00 0.00 N ATOM 306 CA ASN A 20 -4.163 18.410 -9.158 1.00 0.00 C ATOM 307 C ASN A 20 -3.782 17.056 -9.754 1.00 0.00 C ATOM 308 O ASN A 20 -3.717 16.050 -9.051 1.00 0.00 O ATOM 309 CB ASN A 20 -5.635 18.712 -9.496 1.00 0.00 C ATOM 310 CG ASN A 20 -6.186 19.888 -8.712 1.00 0.00 C ATOM 311 OD1 ASN A 20 -5.648 20.261 -7.671 1.00 0.00 O ATOM 312 ND2 ASN A 20 -7.265 20.478 -9.208 1.00 0.00 N ATOM 0 H ASN A 20 -3.707 20.169 -10.231 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.060 18.389 -8.073 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -5.724 18.918 -10.563 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.239 17.828 -9.291 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.680 21.273 -8.723 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.680 20.137 -10.075 1.00 0.00 H new ATOM 319 N SER A 21 -3.533 17.052 -11.069 1.00 0.00 N ATOM 320 CA SER A 21 -3.130 15.848 -11.790 1.00 0.00 C ATOM 321 C SER A 21 -1.750 15.383 -11.350 1.00 0.00 C ATOM 322 O SER A 21 -1.536 14.191 -11.146 1.00 0.00 O ATOM 323 CB SER A 21 -3.132 16.108 -13.298 1.00 0.00 C ATOM 324 OG SER A 21 -4.440 16.398 -13.767 1.00 0.00 O ATOM 0 H SER A 21 -3.606 17.882 -11.657 1.00 0.00 H new ATOM 0 HA SER A 21 -3.849 15.062 -11.559 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.468 16.941 -13.527 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.741 15.235 -13.821 1.00 0.00 H new ATOM 0 HG SER A 21 -4.598 17.364 -13.718 1.00 0.00 H new ATOM 330 N VAL A 22 -0.820 16.319 -11.201 1.00 0.00 N ATOM 331 CA VAL A 22 0.528 15.975 -10.765 1.00 0.00 C ATOM 332 C VAL A 22 0.501 15.412 -9.348 1.00 0.00 C ATOM 333 O VAL A 22 1.140 14.399 -9.056 1.00 0.00 O ATOM 334 CB VAL A 22 1.484 17.188 -10.827 1.00 0.00 C ATOM 335 CG1 VAL A 22 2.804 16.880 -10.135 1.00 0.00 C ATOM 336 CG2 VAL A 22 1.716 17.618 -12.266 1.00 0.00 C ATOM 0 H VAL A 22 -0.972 17.313 -11.374 1.00 0.00 H new ATOM 0 HA VAL A 22 0.905 15.217 -11.452 1.00 0.00 H new ATOM 0 HB VAL A 22 1.012 18.015 -10.296 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.457 17.750 -10.194 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.618 16.636 -9.089 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.283 16.033 -10.626 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.392 18.473 -12.286 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.158 16.793 -12.825 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.765 17.896 -12.720 1.00 0.00 H new ATOM 346 N ARG A 23 -0.259 16.069 -8.483 1.00 0.00 N ATOM 347 CA ARG A 23 -0.387 15.656 -7.094 1.00 0.00 C ATOM 348 C ARG A 23 -1.016 14.277 -7.004 1.00 0.00 C ATOM 349 O ARG A 23 -0.517 13.396 -6.301 1.00 0.00 O ATOM 350 CB ARG A 23 -1.276 16.648 -6.357 1.00 0.00 C ATOM 351 CG ARG A 23 -0.947 16.820 -4.887 1.00 0.00 C ATOM 352 CD ARG A 23 -0.144 18.088 -4.652 1.00 0.00 C ATOM 353 NE ARG A 23 1.287 17.877 -4.854 1.00 0.00 N ATOM 354 CZ ARG A 23 2.197 18.843 -4.763 1.00 0.00 C ATOM 355 NH1 ARG A 23 1.825 20.083 -4.473 1.00 0.00 N ATOM 356 NH2 ARG A 23 3.480 18.566 -4.962 1.00 0.00 N ATOM 0 H ARG A 23 -0.801 16.899 -8.723 1.00 0.00 H new ATOM 0 HA ARG A 23 0.606 15.626 -6.645 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.201 17.618 -6.848 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.313 16.324 -6.448 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.869 16.857 -4.307 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.382 15.957 -4.534 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.494 18.869 -5.328 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.318 18.444 -3.636 1.00 0.00 H new ATOM 0 HE ARG A 23 1.607 16.935 -5.078 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.840 20.297 -4.319 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.524 20.822 -4.404 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.767 17.613 -5.185 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.178 19.306 -4.892 1.00 0.00 H new ATOM 370 N ALA A 24 -2.121 14.101 -7.726 1.00 0.00 N ATOM 371 CA ALA A 24 -2.834 12.831 -7.730 1.00 0.00 C ATOM 372 C ALA A 24 -1.969 11.707 -8.296 1.00 0.00 C ATOM 373 O ALA A 24 -1.919 10.609 -7.743 1.00 0.00 O ATOM 374 CB ALA A 24 -4.123 12.949 -8.532 1.00 0.00 C ATOM 0 H ALA A 24 -2.539 14.822 -8.314 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.076 12.584 -6.696 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.644 11.992 -8.526 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.760 13.712 -8.086 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.888 13.227 -9.559 1.00 0.00 H new ATOM 380 N LEU A 25 -1.289 12.002 -9.404 1.00 0.00 N ATOM 381 CA LEU A 25 -0.413 11.036 -10.065 1.00 0.00 C ATOM 382 C LEU A 25 0.739 10.616 -9.157 1.00 0.00 C ATOM 383 O LEU A 25 1.017 9.427 -9.017 1.00 0.00 O ATOM 384 CB LEU A 25 0.129 11.627 -11.374 1.00 0.00 C ATOM 385 CG LEU A 25 1.123 10.749 -12.137 1.00 0.00 C ATOM 386 CD1 LEU A 25 0.484 9.426 -12.532 1.00 0.00 C ATOM 387 CD2 LEU A 25 1.639 11.480 -13.367 1.00 0.00 C ATOM 0 H LEU A 25 -1.329 12.911 -9.866 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.001 10.146 -10.290 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.714 11.844 -12.030 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.611 12.579 -11.149 1.00 0.00 H new ATOM 0 HG LEU A 25 1.966 10.536 -11.480 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.210 8.819 -13.073 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.163 8.895 -11.636 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.379 9.615 -13.170 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.345 10.843 -13.899 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.803 11.723 -14.023 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.139 12.399 -13.061 1.00 0.00 H new ATOM 399 N LYS A 26 1.397 11.594 -8.542 1.00 0.00 N ATOM 400 CA LYS A 26 2.512 11.320 -7.645 1.00 0.00 C ATOM 401 C LYS A 26 2.049 10.485 -6.449 1.00 0.00 C ATOM 402 O LYS A 26 2.710 9.520 -6.061 1.00 0.00 O ATOM 403 CB LYS A 26 3.137 12.640 -7.180 1.00 0.00 C ATOM 404 CG LYS A 26 4.325 12.475 -6.247 1.00 0.00 C ATOM 405 CD LYS A 26 5.077 13.786 -6.063 1.00 0.00 C ATOM 406 CE LYS A 26 4.221 14.838 -5.371 1.00 0.00 C ATOM 407 NZ LYS A 26 3.866 14.440 -3.980 1.00 0.00 N ATOM 0 H LYS A 26 1.176 12.584 -8.649 1.00 0.00 H new ATOM 0 HA LYS A 26 3.266 10.744 -8.181 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.454 13.207 -8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.373 13.232 -6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.981 12.113 -5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.001 11.720 -6.647 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.979 13.608 -5.477 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.397 14.160 -7.035 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.758 15.787 -5.351 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.309 14.999 -5.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.463 15.256 -3.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.167 13.670 -4.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.720 14.115 -3.483 1.00 0.00 H new ATOM 421 N THR A 27 0.908 10.862 -5.880 1.00 0.00 N ATOM 422 CA THR A 27 0.336 10.160 -4.737 1.00 0.00 C ATOM 423 C THR A 27 -0.076 8.729 -5.105 1.00 0.00 C ATOM 424 O THR A 27 0.227 7.786 -4.378 1.00 0.00 O ATOM 425 CB THR A 27 -0.885 10.935 -4.200 1.00 0.00 C ATOM 426 OG1 THR A 27 -0.486 12.257 -3.819 1.00 0.00 O ATOM 427 CG2 THR A 27 -1.503 10.241 -3.002 1.00 0.00 C ATOM 0 H THR A 27 0.356 11.659 -6.197 1.00 0.00 H new ATOM 0 HA THR A 27 1.101 10.102 -3.963 1.00 0.00 H new ATOM 0 HB THR A 27 -1.629 10.977 -4.995 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.502 12.843 -4.605 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.360 10.816 -2.651 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.829 9.241 -3.289 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.765 10.167 -2.204 1.00 0.00 H new ATOM 435 N LEU A 28 -0.741 8.574 -6.247 1.00 0.00 N ATOM 436 CA LEU A 28 -1.206 7.257 -6.692 1.00 0.00 C ATOM 437 C LEU A 28 -0.055 6.341 -7.103 1.00 0.00 C ATOM 438 O LEU A 28 0.033 5.204 -6.639 1.00 0.00 O ATOM 439 CB LEU A 28 -2.165 7.408 -7.883 1.00 0.00 C ATOM 440 CG LEU A 28 -3.619 6.980 -7.642 1.00 0.00 C ATOM 441 CD1 LEU A 28 -3.681 5.623 -6.958 1.00 0.00 C ATOM 442 CD2 LEU A 28 -4.357 8.032 -6.825 1.00 0.00 C ATOM 0 H LEU A 28 -0.971 9.339 -6.881 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.718 6.802 -5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.163 8.453 -8.194 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.770 6.826 -8.716 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.112 6.890 -8.610 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.722 5.343 -6.799 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.197 4.876 -7.587 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.169 5.676 -5.997 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.386 7.712 -6.664 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.862 8.159 -5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.352 8.980 -7.363 1.00 0.00 H new ATOM 454 N ALA A 29 0.827 6.843 -7.970 1.00 0.00 N ATOM 455 CA ALA A 29 1.942 6.051 -8.482 1.00 0.00 C ATOM 456 C ALA A 29 2.904 5.585 -7.398 1.00 0.00 C ATOM 457 O ALA A 29 3.290 4.423 -7.385 1.00 0.00 O ATOM 458 CB ALA A 29 2.701 6.838 -9.539 1.00 0.00 C ATOM 0 H ALA A 29 0.789 7.796 -8.331 1.00 0.00 H new ATOM 0 HA ALA A 29 1.505 5.154 -8.920 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.530 6.238 -9.914 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.030 7.083 -10.362 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.088 7.758 -9.100 1.00 0.00 H new ATOM 464 N ASN A 30 3.278 6.468 -6.478 1.00 0.00 N ATOM 465 CA ASN A 30 4.224 6.090 -5.427 1.00 0.00 C ATOM 466 C ASN A 30 3.612 5.063 -4.479 1.00 0.00 C ATOM 467 O ASN A 30 4.280 4.112 -4.078 1.00 0.00 O ATOM 468 CB ASN A 30 4.717 7.316 -4.652 1.00 0.00 C ATOM 469 CG ASN A 30 5.954 7.015 -3.825 1.00 0.00 C ATOM 470 OD1 ASN A 30 6.835 6.270 -4.252 1.00 0.00 O ATOM 471 ND2 ASN A 30 6.025 7.596 -2.634 1.00 0.00 N ATOM 0 H ASN A 30 2.950 7.433 -6.435 1.00 0.00 H new ATOM 0 HA ASN A 30 5.086 5.632 -5.913 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.938 8.121 -5.353 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.922 7.673 -3.997 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.833 7.432 -2.034 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.271 8.207 -2.319 1.00 0.00 H new ATOM 478 N ILE A 31 2.349 5.250 -4.122 1.00 0.00 N ATOM 479 CA ILE A 31 1.677 4.310 -3.243 1.00 0.00 C ATOM 480 C ILE A 31 1.570 2.934 -3.903 1.00 0.00 C ATOM 481 O ILE A 31 1.822 1.911 -3.275 1.00 0.00 O ATOM 482 CB ILE A 31 0.305 4.840 -2.786 1.00 0.00 C ATOM 483 CG1 ILE A 31 0.531 5.983 -1.800 1.00 0.00 C ATOM 484 CG2 ILE A 31 -0.550 3.746 -2.166 1.00 0.00 C ATOM 485 CD1 ILE A 31 -0.722 6.738 -1.451 1.00 0.00 C ATOM 0 H ILE A 31 1.775 6.037 -4.425 1.00 0.00 H new ATOM 0 HA ILE A 31 2.282 4.198 -2.343 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.243 5.202 -3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.969 5.581 -0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.257 6.677 -2.223 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.508 4.164 -1.858 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.717 2.956 -2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.038 3.333 -1.297 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.483 7.534 -0.746 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.150 7.170 -2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.443 6.057 -0.998 1.00 0.00 H new ATOM 497 N LEU A 32 1.206 2.916 -5.180 1.00 0.00 N ATOM 498 CA LEU A 32 1.092 1.665 -5.924 1.00 0.00 C ATOM 499 C LEU A 32 2.459 1.025 -6.202 1.00 0.00 C ATOM 500 O LEU A 32 2.553 -0.189 -6.357 1.00 0.00 O ATOM 501 CB LEU A 32 0.321 1.883 -7.226 1.00 0.00 C ATOM 502 CG LEU A 32 -1.176 2.161 -7.049 1.00 0.00 C ATOM 503 CD1 LEU A 32 -1.801 2.600 -8.363 1.00 0.00 C ATOM 504 CD2 LEU A 32 -1.881 0.925 -6.513 1.00 0.00 C ATOM 0 H LEU A 32 0.985 3.751 -5.722 1.00 0.00 H new ATOM 0 HA LEU A 32 0.536 0.968 -5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.770 2.719 -7.762 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.440 1.000 -7.854 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.293 2.971 -6.329 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.864 2.792 -8.214 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.313 3.510 -8.712 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.675 1.813 -9.107 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.944 1.136 -6.392 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.752 0.100 -7.214 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.453 0.652 -5.548 1.00 0.00 H new ATOM 516 N GLU A 33 3.514 1.836 -6.289 1.00 0.00 N ATOM 517 CA GLU A 33 4.859 1.310 -6.556 1.00 0.00 C ATOM 518 C GLU A 33 5.580 0.873 -5.279 1.00 0.00 C ATOM 519 O GLU A 33 6.618 0.218 -5.351 1.00 0.00 O ATOM 520 CB GLU A 33 5.721 2.343 -7.288 1.00 0.00 C ATOM 521 CG GLU A 33 5.235 2.668 -8.692 1.00 0.00 C ATOM 522 CD GLU A 33 6.114 3.685 -9.396 1.00 0.00 C ATOM 523 OE1 GLU A 33 7.043 4.217 -8.753 1.00 0.00 O ATOM 524 OE2 GLU A 33 5.870 3.947 -10.592 1.00 0.00 O ATOM 0 H GLU A 33 3.468 2.849 -6.180 1.00 0.00 H new ATOM 0 HA GLU A 33 4.720 0.433 -7.188 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.747 3.261 -6.701 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.745 1.973 -7.345 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.203 1.752 -9.282 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.215 3.050 -8.640 1.00 0.00 H new ATOM 531 N LYS A 34 5.054 1.247 -4.118 1.00 0.00 N ATOM 532 CA LYS A 34 5.686 0.867 -2.853 1.00 0.00 C ATOM 533 C LYS A 34 4.734 0.055 -1.977 1.00 0.00 C ATOM 534 O LYS A 34 5.002 -1.100 -1.652 1.00 0.00 O ATOM 535 CB LYS A 34 6.148 2.106 -2.074 1.00 0.00 C ATOM 536 CG LYS A 34 7.046 3.052 -2.863 1.00 0.00 C ATOM 537 CD LYS A 34 8.332 2.377 -3.316 1.00 0.00 C ATOM 538 CE LYS A 34 9.304 3.385 -3.907 1.00 0.00 C ATOM 539 NZ LYS A 34 8.725 4.095 -5.081 1.00 0.00 N ATOM 0 H LYS A 34 4.205 1.804 -4.023 1.00 0.00 H new ATOM 0 HA LYS A 34 6.551 0.253 -3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.269 2.656 -1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.681 1.780 -1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.505 3.422 -3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.289 3.918 -2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.798 1.872 -2.470 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.102 1.612 -4.057 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.581 4.112 -3.144 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.219 2.874 -4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.491 4.519 -5.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.198 3.419 -5.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.082 4.843 -4.752 1.00 0.00 H new ATOM 553 N GLU A 35 3.619 0.679 -1.607 1.00 0.00 N ATOM 554 CA GLU A 35 2.612 0.055 -0.751 1.00 0.00 C ATOM 555 C GLU A 35 1.942 -1.151 -1.415 1.00 0.00 C ATOM 556 O GLU A 35 1.696 -2.166 -0.762 1.00 0.00 O ATOM 557 CB GLU A 35 1.555 1.099 -0.365 1.00 0.00 C ATOM 558 CG GLU A 35 2.064 2.153 0.609 1.00 0.00 C ATOM 559 CD GLU A 35 2.530 1.563 1.927 1.00 0.00 C ATOM 560 OE1 GLU A 35 1.767 0.776 2.527 1.00 0.00 O ATOM 561 OE2 GLU A 35 3.655 1.888 2.356 1.00 0.00 O ATOM 0 H GLU A 35 3.387 1.631 -1.891 1.00 0.00 H new ATOM 0 HA GLU A 35 3.119 -0.316 0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.199 1.594 -1.269 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.699 0.590 0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.888 2.698 0.149 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.271 2.876 0.801 1.00 0.00 H new ATOM 568 N PHE A 36 1.646 -1.039 -2.705 1.00 0.00 N ATOM 569 CA PHE A 36 0.988 -2.126 -3.432 1.00 0.00 C ATOM 570 C PHE A 36 1.829 -2.603 -4.612 1.00 0.00 C ATOM 571 O PHE A 36 1.288 -3.045 -5.632 1.00 0.00 O ATOM 572 CB PHE A 36 -0.396 -1.684 -3.912 1.00 0.00 C ATOM 573 CG PHE A 36 -1.319 -1.308 -2.789 1.00 0.00 C ATOM 574 CD1 PHE A 36 -1.454 0.015 -2.401 1.00 0.00 C ATOM 575 CD2 PHE A 36 -2.038 -2.278 -2.111 1.00 0.00 C ATOM 576 CE1 PHE A 36 -2.289 0.363 -1.359 1.00 0.00 C ATOM 577 CE2 PHE A 36 -2.878 -1.934 -1.069 1.00 0.00 C ATOM 578 CZ PHE A 36 -3.002 -0.612 -0.692 1.00 0.00 C ATOM 0 H PHE A 36 1.848 -0.213 -3.269 1.00 0.00 H new ATOM 0 HA PHE A 36 0.876 -2.964 -2.744 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.286 -0.833 -4.584 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.847 -2.490 -4.490 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.899 0.783 -2.920 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.941 -3.314 -2.400 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.384 1.398 -1.066 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.437 -2.699 -0.550 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.656 -0.341 0.124 1.00 0.00 H new ATOM 588 N LYS A 37 3.150 -2.500 -4.472 1.00 0.00 N ATOM 589 CA LYS A 37 4.074 -2.906 -5.530 1.00 0.00 C ATOM 590 C LYS A 37 3.860 -4.362 -5.941 1.00 0.00 C ATOM 591 O LYS A 37 3.869 -5.267 -5.105 1.00 0.00 O ATOM 592 CB LYS A 37 5.519 -2.715 -5.065 1.00 0.00 C ATOM 593 CG LYS A 37 6.557 -3.055 -6.125 1.00 0.00 C ATOM 594 CD LYS A 37 7.968 -2.811 -5.620 1.00 0.00 C ATOM 595 CE LYS A 37 9.001 -3.113 -6.692 1.00 0.00 C ATOM 596 NZ LYS A 37 8.985 -4.548 -7.091 1.00 0.00 N ATOM 0 H LYS A 37 3.605 -2.138 -3.634 1.00 0.00 H new ATOM 0 HA LYS A 37 3.877 -2.276 -6.398 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.657 -1.679 -4.754 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.693 -3.337 -4.187 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.450 -4.099 -6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.379 -2.453 -7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.067 -1.774 -5.299 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.156 -3.434 -4.746 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.809 -2.491 -7.566 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.993 -2.849 -6.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.826 -4.758 -7.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.990 -5.145 -6.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.128 -4.744 -7.647 1.00 0.00 H new ATOM 610 N GLY A 38 3.670 -4.573 -7.240 1.00 0.00 N ATOM 611 CA GLY A 38 3.471 -5.911 -7.766 1.00 0.00 C ATOM 612 C GLY A 38 2.042 -6.404 -7.642 1.00 0.00 C ATOM 613 O GLY A 38 1.735 -7.521 -8.059 1.00 0.00 O ATOM 0 H GLY A 38 3.650 -3.834 -7.943 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.763 -5.927 -8.816 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.132 -6.601 -7.241 1.00 0.00 H new ATOM 617 N VAL A 39 1.159 -5.586 -7.078 1.00 0.00 N ATOM 618 CA VAL A 39 -0.234 -5.987 -6.922 1.00 0.00 C ATOM 619 C VAL A 39 -1.144 -5.231 -7.890 1.00 0.00 C ATOM 620 O VAL A 39 -2.036 -5.826 -8.502 1.00 0.00 O ATOM 621 CB VAL A 39 -0.735 -5.798 -5.470 1.00 0.00 C ATOM 622 CG1 VAL A 39 -2.167 -6.295 -5.316 1.00 0.00 C ATOM 623 CG2 VAL A 39 0.188 -6.507 -4.488 1.00 0.00 C ATOM 0 H VAL A 39 1.379 -4.654 -6.726 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.277 -7.050 -7.158 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.723 -4.731 -5.246 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.494 -6.150 -4.286 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.820 -5.736 -5.986 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.213 -7.355 -5.566 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.181 -6.362 -3.473 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.213 -7.572 -4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.193 -6.094 -4.571 1.00 0.00 H new ATOM 633 N TYR A 40 -0.929 -3.925 -8.041 1.00 0.00 N ATOM 634 CA TYR A 40 -1.772 -3.146 -8.943 1.00 0.00 C ATOM 635 C TYR A 40 -0.991 -2.572 -10.115 1.00 0.00 C ATOM 636 O TYR A 40 0.172 -2.188 -9.982 1.00 0.00 O ATOM 637 CB TYR A 40 -2.463 -1.998 -8.211 1.00 0.00 C ATOM 638 CG TYR A 40 -3.696 -2.370 -7.434 1.00 0.00 C ATOM 639 CD1 TYR A 40 -3.610 -2.899 -6.155 1.00 0.00 C ATOM 640 CD2 TYR A 40 -4.951 -2.156 -7.975 1.00 0.00 C ATOM 641 CE1 TYR A 40 -4.749 -3.206 -5.440 1.00 0.00 C ATOM 642 CE2 TYR A 40 -6.092 -2.463 -7.270 1.00 0.00 C ATOM 643 CZ TYR A 40 -5.987 -2.985 -6.006 1.00 0.00 C ATOM 644 OH TYR A 40 -7.120 -3.284 -5.303 1.00 0.00 O ATOM 0 H TYR A 40 -0.199 -3.396 -7.564 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.518 -3.842 -9.325 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.747 -1.545 -7.526 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.732 -1.235 -8.941 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.640 -3.073 -5.713 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.037 -1.741 -8.968 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.672 -3.617 -4.444 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -7.064 -2.294 -7.709 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.890 -3.283 -5.909 1.00 0.00 H new ATOM 654 N ALA A 41 -1.651 -2.517 -11.265 1.00 0.00 N ATOM 655 CA ALA A 41 -1.068 -1.938 -12.462 1.00 0.00 C ATOM 656 C ALA A 41 -1.712 -0.575 -12.707 1.00 0.00 C ATOM 657 O ALA A 41 -2.938 -0.476 -12.801 1.00 0.00 O ATOM 658 CB ALA A 41 -1.268 -2.858 -13.659 1.00 0.00 C ATOM 0 H ALA A 41 -2.599 -2.871 -11.391 1.00 0.00 H new ATOM 0 HA ALA A 41 0.006 -1.814 -12.325 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.823 -2.404 -14.545 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.790 -3.818 -13.464 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.334 -3.011 -13.826 1.00 0.00 H new ATOM 664 N LEU A 42 -0.900 0.473 -12.805 1.00 0.00 N ATOM 665 CA LEU A 42 -1.433 1.819 -13.001 1.00 0.00 C ATOM 666 C LEU A 42 -1.452 2.219 -14.475 1.00 0.00 C ATOM 667 O LEU A 42 -0.451 2.104 -15.181 1.00 0.00 O ATOM 668 CB LEU A 42 -0.625 2.837 -12.188 1.00 0.00 C ATOM 669 CG LEU A 42 -1.101 4.291 -12.299 1.00 0.00 C ATOM 670 CD1 LEU A 42 -2.522 4.438 -11.775 1.00 0.00 C ATOM 671 CD2 LEU A 42 -0.158 5.219 -11.548 1.00 0.00 C ATOM 0 H LEU A 42 0.117 0.420 -12.753 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.464 1.814 -12.649 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.651 2.542 -11.139 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.416 2.788 -12.507 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.097 4.570 -13.353 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.837 5.478 -11.864 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.192 3.805 -12.357 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.557 4.137 -10.728 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.511 6.246 -11.637 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.130 4.935 -10.496 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.843 5.141 -11.972 1.00 0.00 H new ATOM 683 N LYS A 43 -2.612 2.689 -14.917 1.00 0.00 N ATOM 684 CA LYS A 43 -2.816 3.129 -16.285 1.00 0.00 C ATOM 685 C LYS A 43 -3.375 4.545 -16.281 1.00 0.00 C ATOM 686 O LYS A 43 -4.518 4.773 -15.901 1.00 0.00 O ATOM 687 CB LYS A 43 -3.775 2.190 -17.017 1.00 0.00 C ATOM 688 CG LYS A 43 -3.140 1.414 -18.156 1.00 0.00 C ATOM 689 CD LYS A 43 -2.589 0.077 -17.692 1.00 0.00 C ATOM 690 CE LYS A 43 -2.372 -0.861 -18.867 1.00 0.00 C ATOM 691 NZ LYS A 43 -3.659 -1.349 -19.434 1.00 0.00 N ATOM 0 H LYS A 43 -3.441 2.775 -14.329 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.859 3.115 -16.807 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.192 1.483 -16.299 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.607 2.774 -17.410 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.879 1.250 -18.940 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.336 2.005 -18.595 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.647 0.231 -17.166 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.279 -0.378 -16.982 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.806 -0.346 -19.643 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.771 -1.712 -18.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.487 -2.206 -19.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.318 -1.569 -18.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.072 -0.613 -20.041 1.00 0.00 H new ATOM 705 N VAL A 44 -2.559 5.490 -16.702 1.00 0.00 N ATOM 706 CA VAL A 44 -2.949 6.892 -16.742 1.00 0.00 C ATOM 707 C VAL A 44 -3.389 7.295 -18.140 1.00 0.00 C ATOM 708 O VAL A 44 -2.691 7.066 -19.127 1.00 0.00 O ATOM 709 CB VAL A 44 -1.791 7.783 -16.256 1.00 0.00 C ATOM 710 CG1 VAL A 44 -2.136 9.261 -16.374 1.00 0.00 C ATOM 711 CG2 VAL A 44 -1.427 7.434 -14.821 1.00 0.00 C ATOM 0 H VAL A 44 -1.608 5.312 -17.026 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.798 7.031 -16.072 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.930 7.593 -16.897 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.296 9.860 -16.022 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.344 9.504 -17.416 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.016 9.479 -15.768 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.607 8.071 -14.489 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.293 7.591 -14.177 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.120 6.389 -14.767 1.00 0.00 H new ATOM 721 N ILE A 45 -4.571 7.901 -18.199 1.00 0.00 N ATOM 722 CA ILE A 45 -5.176 8.324 -19.443 1.00 0.00 C ATOM 723 C ILE A 45 -5.207 9.851 -19.510 1.00 0.00 C ATOM 724 O ILE A 45 -5.851 10.499 -18.681 1.00 0.00 O ATOM 725 CB ILE A 45 -6.627 7.787 -19.509 1.00 0.00 C ATOM 726 CG1 ILE A 45 -6.663 6.279 -19.215 1.00 0.00 C ATOM 727 CG2 ILE A 45 -7.289 8.093 -20.851 1.00 0.00 C ATOM 728 CD1 ILE A 45 -5.855 5.428 -20.170 1.00 0.00 C ATOM 0 H ILE A 45 -5.134 8.111 -17.375 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.594 7.936 -20.279 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.200 8.305 -18.740 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.297 6.112 -18.202 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.700 5.943 -19.239 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.305 7.699 -20.854 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.318 9.172 -21.005 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.717 7.627 -21.653 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.940 4.380 -19.884 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.233 5.560 -21.184 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.809 5.731 -20.131 1.00 0.00 H new ATOM 740 N ASP A 46 -4.503 10.432 -20.478 1.00 0.00 N ATOM 741 CA ASP A 46 -4.487 11.885 -20.624 1.00 0.00 C ATOM 742 C ASP A 46 -5.673 12.312 -21.481 1.00 0.00 C ATOM 743 O ASP A 46 -5.647 12.171 -22.705 1.00 0.00 O ATOM 744 CB ASP A 46 -3.171 12.349 -21.259 1.00 0.00 C ATOM 745 CG ASP A 46 -2.983 13.857 -21.196 1.00 0.00 C ATOM 746 OD1 ASP A 46 -3.988 14.592 -21.087 1.00 0.00 O ATOM 747 OD2 ASP A 46 -1.819 14.304 -21.239 1.00 0.00 O ATOM 0 H ASP A 46 -3.943 9.927 -21.165 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.565 12.348 -19.640 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.338 11.863 -20.752 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.143 12.028 -22.300 1.00 0.00 H new ATOM 752 N VAL A 47 -6.699 12.842 -20.834 1.00 0.00 N ATOM 753 CA VAL A 47 -7.918 13.253 -21.530 1.00 0.00 C ATOM 754 C VAL A 47 -7.721 14.450 -22.474 1.00 0.00 C ATOM 755 O VAL A 47 -8.392 14.534 -23.501 1.00 0.00 O ATOM 756 CB VAL A 47 -9.053 13.558 -20.526 1.00 0.00 C ATOM 757 CG1 VAL A 47 -9.332 12.337 -19.657 1.00 0.00 C ATOM 758 CG2 VAL A 47 -8.722 14.764 -19.660 1.00 0.00 C ATOM 0 H VAL A 47 -6.716 13.000 -19.826 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.196 12.404 -22.155 1.00 0.00 H new ATOM 0 HB VAL A 47 -9.950 13.798 -21.097 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.133 12.566 -18.955 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.631 11.501 -20.289 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.431 12.070 -19.105 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.542 14.950 -18.966 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.808 14.569 -19.099 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.578 15.639 -20.294 1.00 0.00 H new ATOM 768 N LEU A 48 -6.823 15.378 -22.136 1.00 0.00 N ATOM 769 CA LEU A 48 -6.592 16.547 -22.994 1.00 0.00 C ATOM 770 C LEU A 48 -5.890 16.182 -24.303 1.00 0.00 C ATOM 771 O LEU A 48 -6.212 16.733 -25.355 1.00 0.00 O ATOM 772 CB LEU A 48 -5.812 17.645 -22.269 1.00 0.00 C ATOM 773 CG LEU A 48 -6.588 18.372 -21.166 1.00 0.00 C ATOM 774 CD1 LEU A 48 -5.688 19.363 -20.446 1.00 0.00 C ATOM 775 CD2 LEU A 48 -7.805 19.080 -21.745 1.00 0.00 C ATOM 0 H LEU A 48 -6.252 15.347 -21.291 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.581 16.933 -23.241 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.916 17.205 -21.832 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.481 18.379 -23.003 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.933 17.632 -20.444 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.256 19.870 -19.666 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.848 18.832 -19.997 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.313 20.098 -21.158 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.343 19.590 -20.946 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.482 19.809 -22.489 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.462 18.348 -22.215 1.00 0.00 H new ATOM 787 N LYS A 49 -4.925 15.266 -24.238 1.00 0.00 N ATOM 788 CA LYS A 49 -4.195 14.853 -25.438 1.00 0.00 C ATOM 789 C LYS A 49 -5.074 14.024 -26.365 1.00 0.00 C ATOM 790 O LYS A 49 -4.981 14.141 -27.586 1.00 0.00 O ATOM 791 CB LYS A 49 -2.925 14.079 -25.089 1.00 0.00 C ATOM 792 CG LYS A 49 -1.828 14.950 -24.498 1.00 0.00 C ATOM 793 CD LYS A 49 -0.563 14.150 -24.252 1.00 0.00 C ATOM 794 CE LYS A 49 0.580 15.036 -23.784 1.00 0.00 C ATOM 795 NZ LYS A 49 0.286 15.684 -22.477 1.00 0.00 N ATOM 0 H LYS A 49 -4.632 14.800 -23.379 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.905 15.765 -25.959 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.173 13.290 -24.379 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.547 13.592 -25.988 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.612 15.777 -25.175 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.173 15.387 -23.561 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.758 13.382 -23.504 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.273 13.636 -25.169 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.488 14.440 -23.696 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.774 15.803 -24.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.170 15.807 -21.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.152 16.613 -22.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.367 15.085 -21.932 1.00 0.00 H new ATOM 809 N ASN A 50 -5.924 13.184 -25.788 1.00 0.00 N ATOM 810 CA ASN A 50 -6.814 12.354 -26.587 1.00 0.00 C ATOM 811 C ASN A 50 -8.243 12.498 -26.103 1.00 0.00 C ATOM 812 O ASN A 50 -8.717 11.715 -25.274 1.00 0.00 O ATOM 813 CB ASN A 50 -6.400 10.889 -26.519 1.00 0.00 C ATOM 814 CG ASN A 50 -7.012 10.057 -27.633 1.00 0.00 C ATOM 815 OD1 ASN A 50 -8.190 10.194 -27.958 1.00 0.00 O ATOM 816 ND2 ASN A 50 -6.206 9.190 -28.232 1.00 0.00 N ATOM 0 H ASN A 50 -6.015 13.060 -24.780 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.746 12.690 -27.622 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.314 10.819 -26.573 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.698 10.475 -25.556 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.558 8.607 -28.992 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.234 9.106 -27.933 1.00 0.00 H new ATOM 823 N PRO A 51 -8.943 13.511 -26.618 1.00 0.00 N ATOM 824 CA PRO A 51 -10.331 13.789 -26.250 1.00 0.00 C ATOM 825 C PRO A 51 -11.271 12.642 -26.611 1.00 0.00 C ATOM 826 O PRO A 51 -12.306 12.451 -25.971 1.00 0.00 O ATOM 827 CB PRO A 51 -10.669 15.051 -27.056 1.00 0.00 C ATOM 828 CG PRO A 51 -9.342 15.643 -27.392 1.00 0.00 C ATOM 829 CD PRO A 51 -8.439 14.474 -27.609 1.00 0.00 C ATOM 0 HA PRO A 51 -10.451 13.916 -25.174 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.235 14.808 -27.955 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.277 15.743 -26.474 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.403 16.266 -28.285 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.978 16.278 -26.585 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.509 14.088 -28.626 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.393 14.728 -27.436 1.00 0.00 H new ATOM 837 N GLN A 52 -10.903 11.887 -27.644 1.00 0.00 N ATOM 838 CA GLN A 52 -11.705 10.758 -28.101 1.00 0.00 C ATOM 839 C GLN A 52 -11.796 9.695 -27.026 1.00 0.00 C ATOM 840 O GLN A 52 -12.866 9.145 -26.785 1.00 0.00 O ATOM 841 CB GLN A 52 -11.100 10.153 -29.371 1.00 0.00 C ATOM 842 CG GLN A 52 -11.216 11.050 -30.592 1.00 0.00 C ATOM 843 CD GLN A 52 -10.550 10.454 -31.817 1.00 0.00 C ATOM 844 OE1 GLN A 52 -11.107 9.578 -32.475 1.00 0.00 O ATOM 845 NE2 GLN A 52 -9.348 10.924 -32.126 1.00 0.00 N ATOM 0 H GLN A 52 -10.050 12.039 -28.182 1.00 0.00 H new ATOM 0 HA GLN A 52 -12.708 11.124 -28.321 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -10.048 9.933 -29.192 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -11.593 9.204 -29.581 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -12.269 11.231 -30.807 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.765 12.018 -30.372 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.922 11.652 -31.552 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.850 10.557 -32.937 1.00 0.00 H new ATOM 854 N LEU A 53 -10.677 9.425 -26.359 1.00 0.00 N ATOM 855 CA LEU A 53 -10.667 8.419 -25.309 1.00 0.00 C ATOM 856 C LEU A 53 -11.450 8.916 -24.105 1.00 0.00 C ATOM 857 O LEU A 53 -12.138 8.143 -23.435 1.00 0.00 O ATOM 858 CB LEU A 53 -9.244 8.022 -24.918 1.00 0.00 C ATOM 859 CG LEU A 53 -8.468 7.273 -26.003 1.00 0.00 C ATOM 860 CD1 LEU A 53 -7.032 7.034 -25.566 1.00 0.00 C ATOM 861 CD2 LEU A 53 -9.156 5.959 -26.343 1.00 0.00 C ATOM 0 H LEU A 53 -9.780 9.882 -26.525 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.151 7.521 -25.694 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.691 8.922 -24.651 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.288 7.398 -24.025 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.451 7.890 -26.901 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.497 6.500 -26.351 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.544 7.991 -25.380 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.024 6.439 -24.653 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.589 5.441 -27.117 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.208 5.334 -25.451 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.164 6.159 -26.705 1.00 0.00 H new ATOM 873 N ALA A 54 -11.335 10.219 -23.830 1.00 0.00 N ATOM 874 CA ALA A 54 -12.050 10.829 -22.720 1.00 0.00 C ATOM 875 C ALA A 54 -13.550 10.742 -22.954 1.00 0.00 C ATOM 876 O ALA A 54 -14.314 10.462 -22.039 1.00 0.00 O ATOM 877 CB ALA A 54 -11.629 12.278 -22.541 1.00 0.00 C ATOM 0 H ALA A 54 -10.753 10.865 -24.363 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.802 10.285 -21.809 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.176 12.715 -21.706 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.559 12.324 -22.338 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.850 12.836 -23.451 1.00 0.00 H new ATOM 883 N GLU A 55 -13.957 11.001 -24.196 1.00 0.00 N ATOM 884 CA GLU A 55 -15.361 10.933 -24.587 1.00 0.00 C ATOM 885 C GLU A 55 -15.861 9.494 -24.528 1.00 0.00 C ATOM 886 O GLU A 55 -16.994 9.240 -24.120 1.00 0.00 O ATOM 887 CB GLU A 55 -15.565 11.504 -25.992 1.00 0.00 C ATOM 888 CG GLU A 55 -17.027 11.537 -26.428 1.00 0.00 C ATOM 889 CD GLU A 55 -17.217 12.145 -27.805 1.00 0.00 C ATOM 890 OE1 GLU A 55 -16.207 12.535 -28.429 1.00 0.00 O ATOM 891 OE2 GLU A 55 -18.377 12.231 -28.258 1.00 0.00 O ATOM 0 H GLU A 55 -13.326 11.262 -24.954 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.937 11.535 -23.884 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.161 12.516 -26.027 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.995 10.908 -26.704 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -17.425 10.522 -26.426 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.605 12.107 -25.701 1.00 0.00 H new ATOM 898 N GLU A 56 -15.009 8.555 -24.941 1.00 0.00 N ATOM 899 CA GLU A 56 -15.366 7.141 -24.934 1.00 0.00 C ATOM 900 C GLU A 56 -15.678 6.671 -23.514 1.00 0.00 C ATOM 901 O GLU A 56 -16.621 5.912 -23.299 1.00 0.00 O ATOM 902 CB GLU A 56 -14.228 6.298 -25.524 1.00 0.00 C ATOM 903 CG GLU A 56 -14.024 6.498 -27.023 1.00 0.00 C ATOM 904 CD GLU A 56 -15.253 6.151 -27.840 1.00 0.00 C ATOM 905 OE1 GLU A 56 -15.812 5.052 -27.633 1.00 0.00 O ATOM 906 OE2 GLU A 56 -15.656 6.976 -28.683 1.00 0.00 O ATOM 0 H GLU A 56 -14.068 8.750 -25.284 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.257 7.013 -25.549 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.301 6.543 -25.005 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.432 5.245 -25.332 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.751 7.536 -27.211 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.188 5.883 -27.356 1.00 0.00 H new ATOM 913 N ASP A 57 -14.886 7.128 -22.543 1.00 0.00 N ATOM 914 CA ASP A 57 -15.117 6.756 -21.149 1.00 0.00 C ATOM 915 C ASP A 57 -15.903 7.844 -20.413 1.00 0.00 C ATOM 916 O ASP A 57 -16.048 7.791 -19.192 1.00 0.00 O ATOM 917 CB ASP A 57 -13.801 6.429 -20.426 1.00 0.00 C ATOM 918 CG ASP A 57 -13.192 5.117 -20.879 1.00 0.00 C ATOM 919 OD1 ASP A 57 -13.899 4.321 -21.531 1.00 0.00 O ATOM 920 OD2 ASP A 57 -11.999 4.887 -20.584 1.00 0.00 O ATOM 0 H ASP A 57 -14.090 7.748 -22.694 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.721 5.849 -21.146 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.087 7.234 -20.599 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.982 6.388 -19.352 1.00 0.00 H new ATOM 925 N LYS A 58 -16.408 8.816 -21.182 1.00 0.00 N ATOM 926 CA LYS A 58 -17.220 9.926 -20.659 1.00 0.00 C ATOM 927 C LYS A 58 -16.580 10.623 -19.459 1.00 0.00 C ATOM 928 O LYS A 58 -17.212 10.800 -18.417 1.00 0.00 O ATOM 929 CB LYS A 58 -18.626 9.433 -20.308 1.00 0.00 C ATOM 930 CG LYS A 58 -19.419 8.965 -21.519 1.00 0.00 C ATOM 931 CD LYS A 58 -20.814 8.499 -21.130 1.00 0.00 C ATOM 932 CE LYS A 58 -21.616 8.063 -22.345 1.00 0.00 C ATOM 933 NZ LYS A 58 -20.996 6.895 -23.030 1.00 0.00 N ATOM 0 H LYS A 58 -16.265 8.857 -22.191 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.283 10.672 -21.451 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.548 8.613 -19.594 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -19.172 10.236 -19.813 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -19.495 9.778 -22.241 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -18.887 8.151 -22.010 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.738 7.670 -20.426 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -21.338 9.306 -20.617 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -22.630 7.807 -22.038 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -21.695 8.895 -23.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -21.666 6.502 -23.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -20.131 7.199 -23.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -20.757 6.167 -22.327 1.00 0.00 H new ATOM 947 N ILE A 59 -15.328 11.025 -19.617 1.00 0.00 N ATOM 948 CA ILE A 59 -14.607 11.706 -18.551 1.00 0.00 C ATOM 949 C ILE A 59 -14.839 13.215 -18.628 1.00 0.00 C ATOM 950 O ILE A 59 -14.306 13.892 -19.509 1.00 0.00 O ATOM 951 CB ILE A 59 -13.095 11.409 -18.635 1.00 0.00 C ATOM 952 CG1 ILE A 59 -12.848 9.897 -18.627 1.00 0.00 C ATOM 953 CG2 ILE A 59 -12.345 12.079 -17.489 1.00 0.00 C ATOM 954 CD1 ILE A 59 -13.369 9.200 -17.389 1.00 0.00 C ATOM 0 H ILE A 59 -14.790 10.892 -20.473 1.00 0.00 H new ATOM 0 HA ILE A 59 -14.986 11.334 -17.599 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.718 11.819 -19.572 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -13.319 9.457 -19.506 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -11.777 9.713 -18.713 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -11.281 11.855 -17.570 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.493 13.158 -17.538 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -12.723 11.704 -16.538 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -13.157 8.133 -17.456 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -12.880 9.612 -16.506 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -14.446 9.352 -17.312 1.00 0.00 H new ATOM 966 N LEU A 60 -15.644 13.732 -17.705 1.00 0.00 N ATOM 967 CA LEU A 60 -15.953 15.160 -17.672 1.00 0.00 C ATOM 968 C LEU A 60 -15.249 15.867 -16.514 1.00 0.00 C ATOM 969 O LEU A 60 -15.312 17.092 -16.401 1.00 0.00 O ATOM 970 CB LEU A 60 -17.466 15.373 -17.568 1.00 0.00 C ATOM 971 CG LEU A 60 -18.291 14.779 -18.714 1.00 0.00 C ATOM 972 CD1 LEU A 60 -19.777 14.982 -18.461 1.00 0.00 C ATOM 973 CD2 LEU A 60 -17.887 15.400 -20.044 1.00 0.00 C ATOM 0 H LEU A 60 -16.094 13.186 -16.971 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.587 15.595 -18.602 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -17.814 14.940 -16.630 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.663 16.444 -17.518 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.092 13.708 -18.761 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -20.348 14.554 -19.285 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -20.058 14.490 -17.530 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -19.991 16.048 -18.386 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -18.484 14.965 -20.845 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -18.056 16.476 -20.009 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.831 15.204 -20.231 1.00 0.00 H new ATOM 985 N ALA A 61 -14.582 15.101 -15.655 1.00 0.00 N ATOM 986 CA ALA A 61 -13.884 15.678 -14.510 1.00 0.00 C ATOM 987 C ALA A 61 -12.582 14.939 -14.224 1.00 0.00 C ATOM 988 O ALA A 61 -12.523 13.717 -14.320 1.00 0.00 O ATOM 989 CB ALA A 61 -14.779 15.655 -13.279 1.00 0.00 C ATOM 0 H ALA A 61 -14.510 14.086 -15.729 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.639 16.712 -14.755 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -14.245 16.088 -12.433 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.681 16.235 -13.474 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.052 14.626 -13.047 1.00 0.00 H new ATOM 995 N THR A 62 -11.552 15.693 -13.857 1.00 0.00 N ATOM 996 CA THR A 62 -10.244 15.143 -13.543 1.00 0.00 C ATOM 997 C THR A 62 -9.708 15.773 -12.256 1.00 0.00 C ATOM 998 O THR A 62 -10.034 16.919 -11.944 1.00 0.00 O ATOM 999 CB THR A 62 -9.226 15.418 -14.675 1.00 0.00 C ATOM 1000 OG1 THR A 62 -9.125 16.829 -14.906 1.00 0.00 O ATOM 1001 CG2 THR A 62 -9.618 14.720 -15.970 1.00 0.00 C ATOM 0 H THR A 62 -11.604 16.708 -13.769 1.00 0.00 H new ATOM 0 HA THR A 62 -10.365 14.066 -13.424 1.00 0.00 H new ATOM 0 HB THR A 62 -8.262 15.021 -14.356 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.181 17.094 -14.906 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.878 14.938 -16.740 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.662 13.644 -15.804 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.595 15.078 -16.295 1.00 0.00 H new ATOM 1009 N PRO A 63 -8.873 15.042 -11.499 1.00 0.00 N ATOM 1010 CA PRO A 63 -8.480 13.670 -11.824 1.00 0.00 C ATOM 1011 C PRO A 63 -9.613 12.674 -11.579 1.00 0.00 C ATOM 1012 O PRO A 63 -10.445 12.864 -10.691 1.00 0.00 O ATOM 1013 CB PRO A 63 -7.303 13.390 -10.875 1.00 0.00 C ATOM 1014 CG PRO A 63 -6.951 14.716 -10.280 1.00 0.00 C ATOM 1015 CD PRO A 63 -8.226 15.503 -10.268 1.00 0.00 C ATOM 0 HA PRO A 63 -8.222 13.561 -12.877 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -7.583 12.674 -10.102 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.457 12.963 -11.413 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.552 14.600 -9.272 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.185 15.219 -10.870 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.829 15.291 -9.385 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.044 16.578 -10.279 1.00 0.00 H new ATOM 1023 N THR A 64 -9.635 11.614 -12.369 1.00 0.00 N ATOM 1024 CA THR A 64 -10.639 10.566 -12.225 1.00 0.00 C ATOM 1025 C THR A 64 -9.951 9.245 -11.910 1.00 0.00 C ATOM 1026 O THR A 64 -9.140 8.758 -12.696 1.00 0.00 O ATOM 1027 CB THR A 64 -11.485 10.380 -13.499 1.00 0.00 C ATOM 1028 OG1 THR A 64 -11.267 11.469 -14.401 1.00 0.00 O ATOM 1029 CG2 THR A 64 -12.967 10.271 -13.163 1.00 0.00 C ATOM 0 H THR A 64 -8.966 11.453 -13.122 1.00 0.00 H new ATOM 0 HA THR A 64 -11.304 10.870 -11.416 1.00 0.00 H new ATOM 0 HB THR A 64 -11.174 9.451 -13.977 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.947 12.159 -14.252 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.540 10.140 -14.081 1.00 0.00 H new ATOM 0 HG22 THR A 64 -13.130 9.414 -12.509 1.00 0.00 H new ATOM 0 HG23 THR A 64 -13.293 11.180 -12.658 1.00 0.00 H new ATOM 1037 N LEU A 65 -10.274 8.670 -10.763 1.00 0.00 N ATOM 1038 CA LEU A 65 -9.681 7.406 -10.353 1.00 0.00 C ATOM 1039 C LEU A 65 -10.705 6.289 -10.514 1.00 0.00 C ATOM 1040 O LEU A 65 -11.742 6.301 -9.860 1.00 0.00 O ATOM 1041 CB LEU A 65 -9.227 7.493 -8.891 1.00 0.00 C ATOM 1042 CG LEU A 65 -8.490 6.263 -8.354 1.00 0.00 C ATOM 1043 CD1 LEU A 65 -7.184 6.059 -9.103 1.00 0.00 C ATOM 1044 CD2 LEU A 65 -8.234 6.404 -6.862 1.00 0.00 C ATOM 0 H LEU A 65 -10.944 9.058 -10.099 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.815 7.193 -10.979 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.576 8.361 -8.782 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.103 7.671 -8.267 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.119 5.387 -8.512 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.672 5.181 -8.709 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.391 5.913 -10.163 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.550 6.936 -8.975 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.709 5.521 -6.498 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.624 7.289 -6.679 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.184 6.504 -6.338 1.00 0.00 H new ATOM 1056 N ALA A 66 -10.425 5.327 -11.383 1.00 0.00 N ATOM 1057 CA ALA A 66 -11.358 4.227 -11.597 1.00 0.00 C ATOM 1058 C ALA A 66 -10.641 2.897 -11.769 1.00 0.00 C ATOM 1059 O ALA A 66 -9.604 2.805 -12.425 1.00 0.00 O ATOM 1060 CB ALA A 66 -12.239 4.491 -12.809 1.00 0.00 C ATOM 0 H ALA A 66 -9.574 5.284 -11.943 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.981 4.165 -10.705 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.926 3.656 -12.948 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.808 5.407 -12.653 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.615 4.598 -13.696 1.00 0.00 H new ATOM 1066 N LYS A 67 -11.218 1.867 -11.163 1.00 0.00 N ATOM 1067 CA LYS A 67 -10.684 0.524 -11.253 1.00 0.00 C ATOM 1068 C LYS A 67 -11.431 -0.205 -12.352 1.00 0.00 C ATOM 1069 O LYS A 67 -12.586 -0.589 -12.171 1.00 0.00 O ATOM 1070 CB LYS A 67 -10.863 -0.213 -9.920 1.00 0.00 C ATOM 1071 CG LYS A 67 -10.590 -1.712 -10.003 1.00 0.00 C ATOM 1072 CD LYS A 67 -11.121 -2.456 -8.786 1.00 0.00 C ATOM 1073 CE LYS A 67 -10.008 -2.852 -7.826 1.00 0.00 C ATOM 1074 NZ LYS A 67 -10.500 -3.781 -6.772 1.00 0.00 N ATOM 0 H LYS A 67 -12.065 1.943 -10.599 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.618 0.561 -11.478 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.196 0.228 -9.179 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.881 -0.058 -9.564 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.051 -2.115 -10.904 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.517 -1.881 -10.091 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.843 -1.828 -8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.653 -3.350 -9.112 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.199 -3.326 -8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.593 -1.958 -7.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.734 -3.977 -6.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.300 -3.345 -6.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.810 -4.671 -7.211 1.00 0.00 H new ATOM 1088 N VAL A 68 -10.792 -0.380 -13.493 1.00 0.00 N ATOM 1089 CA VAL A 68 -11.438 -1.057 -14.601 1.00 0.00 C ATOM 1090 C VAL A 68 -11.363 -2.567 -14.434 1.00 0.00 C ATOM 1091 O VAL A 68 -12.239 -3.295 -14.902 1.00 0.00 O ATOM 1092 CB VAL A 68 -10.836 -0.639 -15.954 1.00 0.00 C ATOM 1093 CG1 VAL A 68 -11.092 0.838 -16.210 1.00 0.00 C ATOM 1094 CG2 VAL A 68 -9.345 -0.945 -16.012 1.00 0.00 C ATOM 0 H VAL A 68 -9.839 -0.067 -13.676 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.486 -0.756 -14.594 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.324 -1.219 -16.737 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.661 1.121 -17.170 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.166 1.024 -16.225 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.633 1.429 -15.418 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.948 -0.639 -16.980 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.831 -0.401 -15.220 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.188 -2.015 -15.878 1.00 0.00 H new ATOM 1104 N LEU A 69 -10.320 -3.034 -13.756 1.00 0.00 N ATOM 1105 CA LEU A 69 -10.149 -4.466 -13.531 1.00 0.00 C ATOM 1106 C LEU A 69 -9.717 -4.744 -12.096 1.00 0.00 C ATOM 1107 O LEU A 69 -8.828 -4.072 -11.576 1.00 0.00 O ATOM 1108 CB LEU A 69 -9.115 -5.049 -14.503 1.00 0.00 C ATOM 1109 CG LEU A 69 -9.485 -4.966 -15.989 1.00 0.00 C ATOM 1110 CD1 LEU A 69 -8.307 -5.381 -16.856 1.00 0.00 C ATOM 1111 CD2 LEU A 69 -10.695 -5.839 -16.289 1.00 0.00 C ATOM 0 H LEU A 69 -9.586 -2.449 -13.356 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.112 -4.946 -13.707 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.168 -4.530 -14.353 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.950 -6.095 -14.246 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.739 -3.932 -16.221 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.588 -5.316 -17.907 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.463 -4.718 -16.664 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.024 -6.407 -16.619 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.942 -5.767 -17.348 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.467 -6.875 -16.039 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.544 -5.501 -15.695 1.00 0.00 H new ATOM 1123 N PRO A 70 -10.330 -5.744 -11.435 1.00 0.00 N ATOM 1124 CA PRO A 70 -11.406 -6.561 -12.013 1.00 0.00 C ATOM 1125 C PRO A 70 -12.763 -5.847 -11.998 1.00 0.00 C ATOM 1126 O PRO A 70 -13.009 -4.990 -11.149 1.00 0.00 O ATOM 1127 CB PRO A 70 -11.431 -7.780 -11.092 1.00 0.00 C ATOM 1128 CG PRO A 70 -11.011 -7.247 -9.766 1.00 0.00 C ATOM 1129 CD PRO A 70 -10.001 -6.168 -10.057 1.00 0.00 C ATOM 0 HA PRO A 70 -11.230 -6.795 -13.063 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.426 -8.223 -11.046 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.751 -8.557 -11.442 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.864 -6.846 -9.218 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.576 -8.033 -9.149 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.085 -5.340 -9.352 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.981 -6.545 -9.987 1.00 0.00 H new ATOM 1137 N PRO A 71 -13.656 -6.184 -12.949 1.00 0.00 N ATOM 1138 CA PRO A 71 -14.998 -5.592 -13.027 1.00 0.00 C ATOM 1139 C PRO A 71 -15.907 -6.088 -11.898 1.00 0.00 C ATOM 1140 O PRO A 71 -15.649 -7.144 -11.317 1.00 0.00 O ATOM 1141 CB PRO A 71 -15.514 -6.074 -14.387 1.00 0.00 C ATOM 1142 CG PRO A 71 -14.787 -7.349 -14.626 1.00 0.00 C ATOM 1143 CD PRO A 71 -13.419 -7.148 -14.040 1.00 0.00 C ATOM 0 HA PRO A 71 -14.981 -4.507 -12.925 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -16.593 -6.228 -14.371 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -15.308 -5.346 -15.171 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.298 -8.187 -14.151 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.728 -7.573 -15.691 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -13.000 -8.083 -13.667 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -12.719 -6.756 -14.778 1.00 0.00 H new ATOM 1151 N PRO A 72 -16.994 -5.355 -11.562 1.00 0.00 N ATOM 1152 CA PRO A 72 -17.389 -4.085 -12.206 1.00 0.00 C ATOM 1153 C PRO A 72 -16.399 -2.943 -11.970 1.00 0.00 C ATOM 1154 O PRO A 72 -15.625 -2.965 -11.014 1.00 0.00 O ATOM 1155 CB PRO A 72 -18.739 -3.749 -11.552 1.00 0.00 C ATOM 1156 CG PRO A 72 -19.198 -5.026 -10.937 1.00 0.00 C ATOM 1157 CD PRO A 72 -17.946 -5.731 -10.507 1.00 0.00 C ATOM 0 HA PRO A 72 -17.428 -4.198 -13.289 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -18.630 -2.966 -10.801 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -19.455 -3.386 -12.289 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -19.856 -4.840 -10.088 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -19.762 -5.626 -11.651 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.612 -5.402 -9.523 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -18.086 -6.811 -10.452 1.00 0.00 H new ATOM 1165 N VAL A 73 -16.440 -1.946 -12.851 1.00 0.00 N ATOM 1166 CA VAL A 73 -15.554 -0.791 -12.752 1.00 0.00 C ATOM 1167 C VAL A 73 -15.933 0.083 -11.553 1.00 0.00 C ATOM 1168 O VAL A 73 -17.089 0.487 -11.404 1.00 0.00 O ATOM 1169 CB VAL A 73 -15.604 0.058 -14.045 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -14.720 1.294 -13.930 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -15.202 -0.781 -15.251 1.00 0.00 C ATOM 0 H VAL A 73 -17.081 -1.916 -13.644 1.00 0.00 H new ATOM 0 HA VAL A 73 -14.540 -1.166 -12.614 1.00 0.00 H new ATOM 0 HB VAL A 73 -16.631 0.396 -14.185 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.777 1.869 -14.854 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.062 1.910 -13.098 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.688 0.989 -13.756 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -15.243 -0.167 -16.151 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.187 -1.155 -15.112 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.887 -1.622 -15.354 1.00 0.00 H new ATOM 1181 N ARG A 74 -14.951 0.369 -10.706 1.00 0.00 N ATOM 1182 CA ARG A 74 -15.170 1.186 -9.515 1.00 0.00 C ATOM 1183 C ARG A 74 -14.536 2.560 -9.668 1.00 0.00 C ATOM 1184 O ARG A 74 -13.324 2.680 -9.824 1.00 0.00 O ATOM 1185 CB ARG A 74 -14.597 0.469 -8.283 1.00 0.00 C ATOM 1186 CG ARG A 74 -14.548 1.324 -7.021 1.00 0.00 C ATOM 1187 CD ARG A 74 -15.940 1.734 -6.560 1.00 0.00 C ATOM 1188 NE ARG A 74 -16.780 0.580 -6.237 1.00 0.00 N ATOM 1189 CZ ARG A 74 -16.778 -0.031 -5.054 1.00 0.00 C ATOM 1190 NH1 ARG A 74 -15.994 0.406 -4.077 1.00 0.00 N ATOM 1191 NH2 ARG A 74 -17.566 -1.079 -4.849 1.00 0.00 N ATOM 0 H ARG A 74 -13.990 0.046 -10.822 1.00 0.00 H new ATOM 0 HA ARG A 74 -16.243 1.326 -9.385 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.197 -0.418 -8.083 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.588 0.126 -8.514 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -14.051 0.769 -6.225 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.950 2.216 -7.209 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -15.856 2.376 -5.683 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -16.420 2.323 -7.341 1.00 0.00 H new ATOM 0 HE ARG A 74 -17.404 0.223 -6.961 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -15.390 1.213 -4.231 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -15.996 -0.065 -3.172 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -18.172 -1.415 -5.597 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -17.565 -1.548 -3.943 1.00 0.00 H new ATOM 1205 N ARG A 75 -15.361 3.597 -9.611 1.00 0.00 N ATOM 1206 CA ARG A 75 -14.868 4.958 -9.727 1.00 0.00 C ATOM 1207 C ARG A 75 -14.779 5.613 -8.358 1.00 0.00 C ATOM 1208 O ARG A 75 -15.769 5.716 -7.634 1.00 0.00 O ATOM 1209 CB ARG A 75 -15.759 5.796 -10.639 1.00 0.00 C ATOM 1210 CG ARG A 75 -15.639 5.449 -12.112 1.00 0.00 C ATOM 1211 CD ARG A 75 -16.375 6.454 -12.979 1.00 0.00 C ATOM 1212 NE ARG A 75 -17.822 6.412 -12.767 1.00 0.00 N ATOM 1213 CZ ARG A 75 -18.646 5.605 -13.431 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -18.171 4.775 -14.352 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -19.947 5.628 -13.173 1.00 0.00 N ATOM 0 H ARG A 75 -16.370 3.520 -9.486 1.00 0.00 H new ATOM 0 HA ARG A 75 -13.872 4.909 -10.168 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.797 5.670 -10.331 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.511 6.849 -10.503 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.587 5.422 -12.397 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -16.042 4.451 -12.286 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.007 7.457 -12.762 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.157 6.254 -14.028 1.00 0.00 H new ATOM 0 HE ARG A 75 -18.223 7.038 -12.069 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.171 4.754 -14.553 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.806 4.158 -14.859 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -20.316 6.264 -12.466 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -20.579 5.010 -13.682 1.00 0.00 H new ATOM 1229 N ILE A 76 -13.582 6.048 -8.016 1.00 0.00 N ATOM 1230 CA ILE A 76 -13.333 6.708 -6.748 1.00 0.00 C ATOM 1231 C ILE A 76 -13.162 8.212 -6.974 1.00 0.00 C ATOM 1232 O ILE A 76 -12.219 8.644 -7.638 1.00 0.00 O ATOM 1233 CB ILE A 76 -12.075 6.135 -6.067 1.00 0.00 C ATOM 1234 CG1 ILE A 76 -12.233 4.624 -5.891 1.00 0.00 C ATOM 1235 CG2 ILE A 76 -11.832 6.807 -4.720 1.00 0.00 C ATOM 1236 CD1 ILE A 76 -11.003 3.951 -5.345 1.00 0.00 C ATOM 0 H ILE A 76 -12.756 5.955 -8.607 1.00 0.00 H new ATOM 0 HA ILE A 76 -14.187 6.532 -6.094 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.210 6.335 -6.700 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.071 4.430 -5.222 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.484 4.178 -6.854 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.939 6.386 -4.259 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.693 7.878 -4.867 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -12.690 6.638 -4.069 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.187 2.881 -5.246 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.167 4.114 -6.025 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.763 4.369 -4.368 1.00 0.00 H new ATOM 1248 N ILE A 77 -14.081 9.005 -6.430 1.00 0.00 N ATOM 1249 CA ILE A 77 -14.028 10.455 -6.595 1.00 0.00 C ATOM 1250 C ILE A 77 -13.885 11.152 -5.245 1.00 0.00 C ATOM 1251 O ILE A 77 -14.664 10.910 -4.325 1.00 0.00 O ATOM 1252 CB ILE A 77 -15.284 10.991 -7.320 1.00 0.00 C ATOM 1253 CG1 ILE A 77 -15.551 10.190 -8.597 1.00 0.00 C ATOM 1254 CG2 ILE A 77 -15.126 12.470 -7.654 1.00 0.00 C ATOM 1255 CD1 ILE A 77 -16.759 9.283 -8.502 1.00 0.00 C ATOM 0 H ILE A 77 -14.868 8.670 -5.874 1.00 0.00 H new ATOM 0 HA ILE A 77 -13.153 10.675 -7.207 1.00 0.00 H new ATOM 0 HB ILE A 77 -16.135 10.876 -6.649 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -15.691 10.882 -9.427 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -14.672 9.588 -8.829 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.021 12.826 -8.164 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -14.982 13.037 -6.734 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -14.261 12.606 -8.303 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -16.887 8.747 -9.443 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -16.613 8.567 -7.693 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -17.648 9.881 -8.301 1.00 0.00 H new ATOM 1267 N GLY A 78 -12.879 12.013 -5.135 1.00 0.00 N ATOM 1268 CA GLY A 78 -12.643 12.733 -3.899 1.00 0.00 C ATOM 1269 C GLY A 78 -11.297 13.424 -3.903 1.00 0.00 C ATOM 1270 O GLY A 78 -10.703 13.621 -4.963 1.00 0.00 O ATOM 0 H GLY A 78 -12.220 12.225 -5.884 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.431 13.472 -3.752 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.694 12.041 -3.059 1.00 0.00 H new ATOM 1274 N ASP A 79 -10.811 13.793 -2.722 1.00 0.00 N ATOM 1275 CA ASP A 79 -9.514 14.456 -2.614 1.00 0.00 C ATOM 1276 C ASP A 79 -8.410 13.406 -2.646 1.00 0.00 C ATOM 1277 O ASP A 79 -8.109 12.776 -1.632 1.00 0.00 O ATOM 1278 CB ASP A 79 -9.435 15.270 -1.316 1.00 0.00 C ATOM 1279 CG ASP A 79 -8.144 16.060 -1.184 1.00 0.00 C ATOM 1280 OD1 ASP A 79 -7.330 16.043 -2.133 1.00 0.00 O ATOM 1281 OD2 ASP A 79 -7.945 16.694 -0.129 1.00 0.00 O ATOM 0 H ASP A 79 -11.290 13.646 -1.833 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.389 15.140 -3.453 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.280 15.957 -1.273 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.529 14.595 -0.465 1.00 0.00 H new ATOM 1286 N LEU A 80 -7.801 13.233 -3.814 1.00 0.00 N ATOM 1287 CA LEU A 80 -6.748 12.239 -3.984 1.00 0.00 C ATOM 1288 C LEU A 80 -5.367 12.806 -3.674 1.00 0.00 C ATOM 1289 O LEU A 80 -4.372 12.086 -3.731 1.00 0.00 O ATOM 1290 CB LEU A 80 -6.763 11.686 -5.412 1.00 0.00 C ATOM 1291 CG LEU A 80 -8.059 10.995 -5.839 1.00 0.00 C ATOM 1292 CD1 LEU A 80 -7.977 10.577 -7.299 1.00 0.00 C ATOM 1293 CD2 LEU A 80 -8.342 9.789 -4.955 1.00 0.00 C ATOM 0 H LEU A 80 -8.018 13.767 -4.655 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.949 11.437 -3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.565 12.506 -6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.942 10.976 -5.516 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.881 11.702 -5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.906 10.086 -7.590 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.822 11.458 -7.922 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.144 9.886 -7.434 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.268 9.312 -5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.520 9.077 -5.036 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.440 10.113 -3.919 1.00 0.00 H new ATOM 1305 N SER A 81 -5.299 14.098 -3.367 1.00 0.00 N ATOM 1306 CA SER A 81 -4.026 14.730 -3.034 1.00 0.00 C ATOM 1307 C SER A 81 -3.541 14.231 -1.674 1.00 0.00 C ATOM 1308 O SER A 81 -2.361 14.334 -1.335 1.00 0.00 O ATOM 1309 CB SER A 81 -4.166 16.252 -3.028 1.00 0.00 C ATOM 1310 OG SER A 81 -4.518 16.735 -4.313 1.00 0.00 O ATOM 0 H SER A 81 -6.104 14.724 -3.342 1.00 0.00 H new ATOM 0 HA SER A 81 -3.290 14.461 -3.792 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.925 16.548 -2.304 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.228 16.706 -2.710 1.00 0.00 H new ATOM 0 HG SER A 81 -4.603 17.711 -4.284 1.00 0.00 H new ATOM 1316 N ASN A 82 -4.481 13.706 -0.896 1.00 0.00 N ATOM 1317 CA ASN A 82 -4.188 13.157 0.417 1.00 0.00 C ATOM 1318 C ASN A 82 -3.758 11.699 0.272 1.00 0.00 C ATOM 1319 O ASN A 82 -4.533 10.856 -0.186 1.00 0.00 O ATOM 1320 CB ASN A 82 -5.411 13.276 1.325 1.00 0.00 C ATOM 1321 CG ASN A 82 -5.175 12.709 2.709 1.00 0.00 C ATOM 1322 OD1 ASN A 82 -5.536 11.569 2.991 1.00 0.00 O ATOM 1323 ND2 ASN A 82 -4.570 13.501 3.584 1.00 0.00 N ATOM 0 H ASN A 82 -5.465 13.650 -1.160 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.374 13.721 0.874 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.693 14.325 1.411 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.251 12.757 0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -4.389 13.170 4.531 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.286 14.441 3.309 1.00 0.00 H new ATOM 1330 N ARG A 83 -2.518 11.415 0.663 1.00 0.00 N ATOM 1331 CA ARG A 83 -1.956 10.069 0.547 1.00 0.00 C ATOM 1332 C ARG A 83 -2.761 9.037 1.336 1.00 0.00 C ATOM 1333 O ARG A 83 -2.912 7.901 0.888 1.00 0.00 O ATOM 1334 CB ARG A 83 -0.484 10.048 0.973 1.00 0.00 C ATOM 1335 CG ARG A 83 0.469 10.665 -0.046 1.00 0.00 C ATOM 1336 CD ARG A 83 0.412 12.185 -0.028 1.00 0.00 C ATOM 1337 NE ARG A 83 0.830 12.741 1.255 1.00 0.00 N ATOM 1338 CZ ARG A 83 0.684 14.020 1.586 1.00 0.00 C ATOM 1339 NH1 ARG A 83 0.108 14.864 0.737 1.00 0.00 N ATOM 1340 NH2 ARG A 83 1.107 14.455 2.766 1.00 0.00 N ATOM 0 H ARG A 83 -1.880 12.102 1.065 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.016 9.791 -0.505 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.383 10.581 1.918 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.185 9.016 1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.487 10.337 0.164 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.218 10.304 -1.043 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.051 12.579 -0.818 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.605 12.511 -0.248 1.00 0.00 H new ATOM 0 HE ARG A 83 1.258 12.113 1.936 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.222 14.530 -0.169 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.004 15.846 0.991 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.545 13.808 3.421 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.994 15.437 3.018 1.00 0.00 H new ATOM 1354 N GLU A 84 -3.270 9.419 2.506 1.00 0.00 N ATOM 1355 CA GLU A 84 -4.065 8.501 3.320 1.00 0.00 C ATOM 1356 C GLU A 84 -5.314 8.017 2.588 1.00 0.00 C ATOM 1357 O GLU A 84 -5.604 6.826 2.611 1.00 0.00 O ATOM 1358 CB GLU A 84 -4.467 9.162 4.639 1.00 0.00 C ATOM 1359 CG GLU A 84 -3.325 9.262 5.633 1.00 0.00 C ATOM 1360 CD GLU A 84 -3.700 10.039 6.878 1.00 0.00 C ATOM 1361 OE1 GLU A 84 -3.917 11.264 6.769 1.00 0.00 O ATOM 1362 OE2 GLU A 84 -3.777 9.423 7.960 1.00 0.00 O ATOM 0 H GLU A 84 -3.148 10.348 2.909 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.437 7.633 3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.850 10.162 4.434 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.282 8.594 5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.008 8.259 5.918 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.472 9.742 5.153 1.00 0.00 H new ATOM 1369 N LYS A 85 -6.046 8.914 1.928 1.00 0.00 N ATOM 1370 CA LYS A 85 -7.247 8.492 1.204 1.00 0.00 C ATOM 1371 C LYS A 85 -6.888 7.550 0.063 1.00 0.00 C ATOM 1372 O LYS A 85 -7.574 6.555 -0.161 1.00 0.00 O ATOM 1373 CB LYS A 85 -8.047 9.676 0.661 1.00 0.00 C ATOM 1374 CG LYS A 85 -8.761 10.502 1.715 1.00 0.00 C ATOM 1375 CD LYS A 85 -9.552 11.627 1.067 1.00 0.00 C ATOM 1376 CE LYS A 85 -10.208 12.523 2.106 1.00 0.00 C ATOM 1377 NZ LYS A 85 -11.190 11.782 2.943 1.00 0.00 N ATOM 0 H LYS A 85 -5.838 9.911 1.878 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.875 7.968 1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.372 10.327 0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.785 9.302 -0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.431 9.865 2.292 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.034 10.917 2.414 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.890 12.223 0.439 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.317 11.206 0.415 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.440 12.957 2.747 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -10.710 13.351 1.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.722 12.455 3.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.849 11.263 2.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.686 11.109 3.556 1.00 0.00 H new ATOM 1391 N VAL A 86 -5.816 7.865 -0.655 1.00 0.00 N ATOM 1392 CA VAL A 86 -5.366 7.019 -1.752 1.00 0.00 C ATOM 1393 C VAL A 86 -4.953 5.638 -1.240 1.00 0.00 C ATOM 1394 O VAL A 86 -5.371 4.617 -1.786 1.00 0.00 O ATOM 1395 CB VAL A 86 -4.196 7.679 -2.522 1.00 0.00 C ATOM 1396 CG1 VAL A 86 -3.590 6.713 -3.529 1.00 0.00 C ATOM 1397 CG2 VAL A 86 -4.687 8.936 -3.220 1.00 0.00 C ATOM 0 H VAL A 86 -5.245 8.696 -0.498 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.202 6.897 -2.441 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.417 7.947 -1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.771 7.203 -4.055 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.212 5.834 -3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.352 6.410 -4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.861 9.398 -3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.480 8.677 -3.921 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.073 9.637 -2.479 1.00 0.00 H new ATOM 1407 N LEU A 87 -4.160 5.617 -0.171 1.00 0.00 N ATOM 1408 CA LEU A 87 -3.698 4.372 0.432 1.00 0.00 C ATOM 1409 C LEU A 87 -4.856 3.554 1.004 1.00 0.00 C ATOM 1410 O LEU A 87 -4.954 2.354 0.754 1.00 0.00 O ATOM 1411 CB LEU A 87 -2.670 4.689 1.523 1.00 0.00 C ATOM 1412 CG LEU A 87 -2.209 3.503 2.369 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -1.501 2.463 1.516 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -1.309 3.982 3.499 1.00 0.00 C ATOM 0 H LEU A 87 -3.822 6.457 0.298 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.232 3.765 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.795 5.137 1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.094 5.442 2.188 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.089 3.029 2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.184 1.631 2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.182 2.098 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.628 2.913 1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.987 3.128 4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.436 4.483 3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.859 4.679 4.132 1.00 0.00 H new ATOM 1426 N ILE A 88 -5.728 4.208 1.762 1.00 0.00 N ATOM 1427 CA ILE A 88 -6.872 3.536 2.374 1.00 0.00 C ATOM 1428 C ILE A 88 -7.843 2.983 1.322 1.00 0.00 C ATOM 1429 O ILE A 88 -8.291 1.839 1.430 1.00 0.00 O ATOM 1430 CB ILE A 88 -7.601 4.479 3.355 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -6.710 4.723 4.578 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -8.952 3.909 3.771 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -7.156 5.876 5.445 1.00 0.00 C ATOM 0 H ILE A 88 -5.666 5.205 1.969 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.486 2.685 2.936 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.793 5.428 2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.685 3.816 5.182 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.691 4.909 4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.440 4.597 4.462 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -9.578 3.776 2.889 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -8.806 2.946 4.260 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.474 5.982 6.288 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.154 6.795 4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.163 5.685 5.815 1.00 0.00 H new ATOM 1445 N ALA A 89 -8.167 3.791 0.309 1.00 0.00 N ATOM 1446 CA ALA A 89 -9.079 3.350 -0.748 1.00 0.00 C ATOM 1447 C ALA A 89 -8.496 2.167 -1.516 1.00 0.00 C ATOM 1448 O ALA A 89 -9.212 1.215 -1.836 1.00 0.00 O ATOM 1449 CB ALA A 89 -9.420 4.497 -1.686 1.00 0.00 C ATOM 0 H ALA A 89 -7.816 4.742 0.199 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.004 3.018 -0.276 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.099 4.143 -2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.899 5.298 -1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.507 4.874 -2.147 1.00 0.00 H new ATOM 1455 N LEU A 90 -7.198 2.226 -1.808 1.00 0.00 N ATOM 1456 CA LEU A 90 -6.520 1.135 -2.509 1.00 0.00 C ATOM 1457 C LEU A 90 -6.485 -0.111 -1.628 1.00 0.00 C ATOM 1458 O LEU A 90 -6.601 -1.233 -2.120 1.00 0.00 O ATOM 1459 CB LEU A 90 -5.098 1.534 -2.919 1.00 0.00 C ATOM 1460 CG LEU A 90 -5.002 2.583 -4.028 1.00 0.00 C ATOM 1461 CD1 LEU A 90 -3.564 3.053 -4.182 1.00 0.00 C ATOM 1462 CD2 LEU A 90 -5.526 2.023 -5.344 1.00 0.00 C ATOM 0 H LEU A 90 -6.596 3.014 -1.571 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.081 0.917 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.578 1.912 -2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.567 0.639 -3.243 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.620 3.437 -3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.508 3.799 -4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.222 3.492 -3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.929 2.205 -4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.449 2.785 -6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.935 1.153 -5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.569 1.730 -5.225 1.00 0.00 H new ATOM 1474 N ARG A 91 -6.324 0.106 -0.321 1.00 0.00 N ATOM 1475 CA ARG A 91 -6.270 -0.979 0.656 1.00 0.00 C ATOM 1476 C ARG A 91 -7.577 -1.769 0.663 1.00 0.00 C ATOM 1477 O ARG A 91 -7.569 -3.001 0.655 1.00 0.00 O ATOM 1478 CB ARG A 91 -6.016 -0.400 2.052 1.00 0.00 C ATOM 1479 CG ARG A 91 -5.633 -1.437 3.091 1.00 0.00 C ATOM 1480 CD ARG A 91 -4.126 -1.609 3.154 1.00 0.00 C ATOM 1481 NE ARG A 91 -3.494 -0.608 4.010 1.00 0.00 N ATOM 1482 CZ ARG A 91 -2.177 -0.423 4.079 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -1.361 -1.157 3.332 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -1.679 0.497 4.894 1.00 0.00 N ATOM 0 H ARG A 91 -6.228 1.036 0.087 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.458 -1.652 0.380 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -5.222 0.344 1.986 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.913 0.120 2.387 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.010 -1.135 4.068 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -6.102 -2.391 2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.891 -2.606 3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.711 -1.539 2.148 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.094 -0.018 4.586 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.743 -1.864 2.704 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -0.353 -1.014 3.386 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -2.305 1.063 5.468 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.670 0.639 4.947 1.00 0.00 H new ATOM 1498 N LEU A 92 -8.699 -1.049 0.677 1.00 0.00 N ATOM 1499 CA LEU A 92 -10.018 -1.681 0.676 1.00 0.00 C ATOM 1500 C LEU A 92 -10.264 -2.435 -0.625 1.00 0.00 C ATOM 1501 O LEU A 92 -10.838 -3.525 -0.619 1.00 0.00 O ATOM 1502 CB LEU A 92 -11.118 -0.638 0.901 1.00 0.00 C ATOM 1503 CG LEU A 92 -11.598 -0.491 2.351 1.00 0.00 C ATOM 1504 CD1 LEU A 92 -10.423 -0.315 3.302 1.00 0.00 C ATOM 1505 CD2 LEU A 92 -12.561 0.679 2.474 1.00 0.00 C ATOM 0 H LEU A 92 -8.721 -0.029 0.689 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.044 -2.398 1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.754 0.330 0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -11.974 -0.897 0.277 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.121 -1.406 2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.793 -0.213 4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -9.770 -1.185 3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.864 0.580 3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -12.893 0.770 3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.058 1.598 2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -13.424 0.509 1.830 1.00 0.00 H new ATOM 1517 N LEU A 93 -9.830 -1.848 -1.739 1.00 0.00 N ATOM 1518 CA LEU A 93 -9.995 -2.484 -3.042 1.00 0.00 C ATOM 1519 C LEU A 93 -9.179 -3.773 -3.111 1.00 0.00 C ATOM 1520 O LEU A 93 -9.637 -4.783 -3.649 1.00 0.00 O ATOM 1521 CB LEU A 93 -9.562 -1.540 -4.167 1.00 0.00 C ATOM 1522 CG LEU A 93 -10.472 -0.334 -4.403 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -9.825 0.622 -5.392 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -11.837 -0.781 -4.904 1.00 0.00 C ATOM 0 H LEU A 93 -9.365 -0.940 -1.765 1.00 0.00 H new ATOM 0 HA LEU A 93 -11.051 -2.721 -3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.558 -1.178 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.499 -2.112 -5.093 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.614 0.186 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.481 1.477 -5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.871 0.966 -4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.659 0.108 -6.339 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.469 0.092 -5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.720 -1.323 -5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -12.301 -1.433 -4.164 1.00 0.00 H new ATOM 1536 N ALA A 94 -7.962 -3.721 -2.567 1.00 0.00 N ATOM 1537 CA ALA A 94 -7.063 -4.873 -2.552 1.00 0.00 C ATOM 1538 C ALA A 94 -7.637 -6.013 -1.727 1.00 0.00 C ATOM 1539 O ALA A 94 -7.488 -7.183 -2.087 1.00 0.00 O ATOM 1540 CB ALA A 94 -5.688 -4.478 -2.045 1.00 0.00 C ATOM 0 H ALA A 94 -7.575 -2.885 -2.128 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.960 -5.226 -3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.036 -5.352 -2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -5.266 -3.712 -2.696 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.773 -4.086 -1.031 1.00 0.00 H new ATOM 1546 N GLU A 95 -8.283 -5.673 -0.615 1.00 0.00 N ATOM 1547 CA GLU A 95 -8.891 -6.670 0.254 1.00 0.00 C ATOM 1548 C GLU A 95 -9.970 -7.435 -0.502 1.00 0.00 C ATOM 1549 O GLU A 95 -10.134 -8.643 -0.321 1.00 0.00 O ATOM 1550 CB GLU A 95 -9.486 -5.996 1.494 1.00 0.00 C ATOM 1551 CG GLU A 95 -8.438 -5.465 2.462 1.00 0.00 C ATOM 1552 CD GLU A 95 -9.037 -4.617 3.568 1.00 0.00 C ATOM 1553 OE1 GLU A 95 -10.196 -4.176 3.421 1.00 0.00 O ATOM 1554 OE2 GLU A 95 -8.345 -4.397 4.584 1.00 0.00 O ATOM 0 H GLU A 95 -8.398 -4.711 -0.296 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.123 -7.374 0.575 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.126 -5.173 1.178 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.121 -6.711 2.016 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.900 -6.304 2.904 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.708 -4.873 1.911 1.00 0.00 H new ATOM 1561 N GLU A 96 -10.705 -6.716 -1.347 1.00 0.00 N ATOM 1562 CA GLU A 96 -11.759 -7.313 -2.160 1.00 0.00 C ATOM 1563 C GLU A 96 -11.172 -8.349 -3.118 1.00 0.00 C ATOM 1564 O GLU A 96 -11.746 -9.419 -3.325 1.00 0.00 O ATOM 1565 CB GLU A 96 -12.480 -6.222 -2.959 1.00 0.00 C ATOM 1566 CG GLU A 96 -13.325 -5.289 -2.101 1.00 0.00 C ATOM 1567 CD GLU A 96 -14.414 -6.017 -1.336 1.00 0.00 C ATOM 1568 OE1 GLU A 96 -15.153 -6.805 -1.962 1.00 0.00 O ATOM 1569 OE2 GLU A 96 -14.527 -5.799 -0.112 1.00 0.00 O ATOM 0 H GLU A 96 -10.588 -5.712 -1.486 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.470 -7.809 -1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.740 -5.632 -3.500 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.120 -6.694 -3.705 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -12.679 -4.767 -1.395 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -13.780 -4.530 -2.738 1.00 0.00 H new ATOM 1576 N ILE A 97 -10.021 -8.014 -3.695 1.00 0.00 N ATOM 1577 CA ILE A 97 -9.331 -8.895 -4.633 1.00 0.00 C ATOM 1578 C ILE A 97 -8.760 -10.114 -3.911 1.00 0.00 C ATOM 1579 O ILE A 97 -8.877 -11.242 -4.388 1.00 0.00 O ATOM 1580 CB ILE A 97 -8.202 -8.131 -5.357 1.00 0.00 C ATOM 1581 CG1 ILE A 97 -8.810 -6.956 -6.112 1.00 0.00 C ATOM 1582 CG2 ILE A 97 -7.437 -9.043 -6.314 1.00 0.00 C ATOM 1583 CD1 ILE A 97 -7.787 -5.997 -6.645 1.00 0.00 C ATOM 0 H ILE A 97 -9.542 -7.129 -3.527 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.055 -9.239 -5.372 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.489 -7.768 -4.617 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -9.407 -7.336 -6.941 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.489 -6.420 -5.449 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.649 -8.474 -6.807 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.994 -9.867 -5.755 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -8.122 -9.440 -7.064 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.289 -5.185 -7.171 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.205 -5.589 -5.818 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.122 -6.519 -7.333 1.00 0.00 H new ATOM 1595 N GLY A 98 -8.144 -9.867 -2.753 1.00 0.00 N ATOM 1596 CA GLY A 98 -7.566 -10.938 -1.955 1.00 0.00 C ATOM 1597 C GLY A 98 -8.602 -11.936 -1.469 1.00 0.00 C ATOM 1598 O GLY A 98 -8.320 -13.127 -1.358 1.00 0.00 O ATOM 0 H GLY A 98 -8.035 -8.935 -2.352 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.815 -11.461 -2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.052 -10.508 -1.096 1.00 0.00 H new ATOM 1602 N ASP A 99 -9.795 -11.433 -1.159 1.00 0.00 N ATOM 1603 CA ASP A 99 -10.897 -12.270 -0.679 1.00 0.00 C ATOM 1604 C ASP A 99 -11.298 -13.315 -1.720 1.00 0.00 C ATOM 1605 O ASP A 99 -11.613 -14.455 -1.376 1.00 0.00 O ATOM 1606 CB ASP A 99 -12.108 -11.403 -0.324 1.00 0.00 C ATOM 1607 CG ASP A 99 -13.230 -12.206 0.306 1.00 0.00 C ATOM 1608 OD1 ASP A 99 -13.035 -12.718 1.428 1.00 0.00 O ATOM 1609 OD2 ASP A 99 -14.305 -12.316 -0.320 1.00 0.00 O ATOM 0 H ASP A 99 -10.026 -10.442 -1.232 1.00 0.00 H new ATOM 0 HA ASP A 99 -10.551 -12.792 0.213 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -11.799 -10.615 0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -12.477 -10.913 -1.225 1.00 0.00 H new ATOM 1614 N TYR A 100 -11.304 -12.914 -2.989 1.00 0.00 N ATOM 1615 CA TYR A 100 -11.669 -13.811 -4.071 1.00 0.00 C ATOM 1616 C TYR A 100 -10.586 -14.861 -4.283 1.00 0.00 C ATOM 1617 O TYR A 100 -9.416 -14.541 -4.486 1.00 0.00 O ATOM 1618 CB TYR A 100 -11.897 -13.018 -5.365 1.00 0.00 C ATOM 1619 CG TYR A 100 -12.256 -13.881 -6.558 1.00 0.00 C ATOM 1620 CD1 TYR A 100 -13.535 -14.406 -6.701 1.00 0.00 C ATOM 1621 CD2 TYR A 100 -11.314 -14.169 -7.540 1.00 0.00 C ATOM 1622 CE1 TYR A 100 -13.864 -15.194 -7.788 1.00 0.00 C ATOM 1623 CE2 TYR A 100 -11.637 -14.954 -8.628 1.00 0.00 C ATOM 1624 CZ TYR A 100 -12.912 -15.465 -8.747 1.00 0.00 C ATOM 1625 OH TYR A 100 -13.237 -16.249 -9.831 1.00 0.00 O ATOM 0 H TYR A 100 -11.059 -11.970 -3.289 1.00 0.00 H new ATOM 0 HA TYR A 100 -12.595 -14.318 -3.801 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -12.694 -12.293 -5.200 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -10.995 -12.452 -5.597 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -14.283 -14.195 -5.951 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -10.314 -13.772 -7.450 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -14.862 -15.595 -7.885 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -10.895 -15.167 -9.383 1.00 0.00 H new ATOM 0 HH TYR A 100 -12.454 -16.342 -10.413 1.00 0.00 H new ATOM 1635 N LYS A 101 -10.996 -16.116 -4.240 1.00 0.00 N ATOM 1636 CA LYS A 101 -10.074 -17.228 -4.428 1.00 0.00 C ATOM 1637 C LYS A 101 -10.359 -17.942 -5.745 1.00 0.00 C ATOM 1638 O LYS A 101 -11.510 -18.039 -6.169 1.00 0.00 O ATOM 1639 CB LYS A 101 -10.183 -18.221 -3.264 1.00 0.00 C ATOM 1640 CG LYS A 101 -9.892 -17.611 -1.899 1.00 0.00 C ATOM 1641 CD LYS A 101 -8.447 -17.147 -1.785 1.00 0.00 C ATOM 1642 CE LYS A 101 -8.148 -16.594 -0.401 1.00 0.00 C ATOM 1643 NZ LYS A 101 -8.324 -17.624 0.661 1.00 0.00 N ATOM 0 H LYS A 101 -11.964 -16.394 -4.076 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.061 -16.827 -4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.187 -18.645 -3.254 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.491 -19.045 -3.437 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.560 -16.767 -1.728 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.101 -18.345 -1.121 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.778 -17.981 -1.997 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.249 -16.381 -2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -7.126 -16.217 -0.374 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.805 -15.748 -0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.876 -17.296 1.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.338 -17.781 0.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.881 -18.515 0.358 1.00 0.00 H new ATOM 1657 N ASP A 102 -9.301 -18.429 -6.392 1.00 0.00 N ATOM 1658 CA ASP A 102 -9.433 -19.143 -7.664 1.00 0.00 C ATOM 1659 C ASP A 102 -10.251 -20.422 -7.493 1.00 0.00 C ATOM 1660 O ASP A 102 -11.102 -20.743 -8.322 1.00 0.00 O ATOM 1661 CB ASP A 102 -8.053 -19.481 -8.236 1.00 0.00 C ATOM 1662 CG ASP A 102 -8.139 -20.138 -9.601 1.00 0.00 C ATOM 1663 OD1 ASP A 102 -8.562 -19.460 -10.559 1.00 0.00 O ATOM 1664 OD2 ASP A 102 -7.776 -21.328 -9.708 1.00 0.00 O ATOM 0 H ASP A 102 -8.341 -18.343 -6.057 1.00 0.00 H new ATOM 0 HA ASP A 102 -9.956 -18.488 -8.361 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -7.460 -18.569 -8.311 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.530 -20.145 -7.548 1.00 0.00 H new ATOM 1669 N ASP A 103 -9.982 -21.151 -6.416 1.00 0.00 N ATOM 1670 CA ASP A 103 -10.696 -22.391 -6.134 1.00 0.00 C ATOM 1671 C ASP A 103 -11.918 -22.100 -5.266 1.00 0.00 C ATOM 1672 O ASP A 103 -11.784 -21.765 -4.089 1.00 0.00 O ATOM 1673 CB ASP A 103 -9.774 -23.397 -5.434 1.00 0.00 C ATOM 1674 CG ASP A 103 -10.408 -24.767 -5.257 1.00 0.00 C ATOM 1675 OD1 ASP A 103 -11.568 -24.954 -5.690 1.00 0.00 O ATOM 1676 OD2 ASP A 103 -9.738 -25.657 -4.695 1.00 0.00 O ATOM 0 H ASP A 103 -9.275 -20.905 -5.724 1.00 0.00 H new ATOM 0 HA ASP A 103 -11.025 -22.827 -7.077 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.855 -23.501 -6.011 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -9.494 -23.004 -4.457 1.00 0.00 H new ATOM 1681 N ASP A 104 -13.103 -22.224 -5.862 1.00 0.00 N ATOM 1682 CA ASP A 104 -14.361 -21.972 -5.154 1.00 0.00 C ATOM 1683 C ASP A 104 -14.581 -22.974 -4.020 1.00 0.00 C ATOM 1684 O ASP A 104 -15.230 -22.663 -3.023 1.00 0.00 O ATOM 1685 CB ASP A 104 -15.540 -22.029 -6.130 1.00 0.00 C ATOM 1686 CG ASP A 104 -16.808 -21.434 -5.545 1.00 0.00 C ATOM 1687 OD1 ASP A 104 -16.706 -20.458 -4.773 1.00 0.00 O ATOM 1688 OD2 ASP A 104 -17.901 -21.947 -5.862 1.00 0.00 O ATOM 0 H ASP A 104 -13.220 -22.498 -6.837 1.00 0.00 H new ATOM 0 HA ASP A 104 -14.297 -20.975 -4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -15.278 -21.493 -7.042 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -15.725 -23.066 -6.411 1.00 0.00 H new ATOM 1693 N ASP A 105 -14.041 -24.178 -4.177 1.00 0.00 N ATOM 1694 CA ASP A 105 -14.189 -25.213 -3.159 1.00 0.00 C ATOM 1695 C ASP A 105 -13.080 -25.099 -2.118 1.00 0.00 C ATOM 1696 O ASP A 105 -11.954 -25.536 -2.346 1.00 0.00 O ATOM 1697 CB ASP A 105 -14.160 -26.606 -3.800 1.00 0.00 C ATOM 1698 CG ASP A 105 -14.447 -27.714 -2.805 1.00 0.00 C ATOM 1699 OD1 ASP A 105 -15.033 -27.424 -1.740 1.00 0.00 O ATOM 1700 OD2 ASP A 105 -14.090 -28.875 -3.094 1.00 0.00 O ATOM 0 H ASP A 105 -13.500 -24.461 -4.994 1.00 0.00 H new ATOM 0 HA ASP A 105 -15.151 -25.072 -2.667 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -14.894 -26.647 -4.605 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -13.182 -26.773 -4.252 1.00 0.00 H new ATOM 1705 N LYS A 106 -13.406 -24.507 -0.975 1.00 0.00 N ATOM 1706 CA LYS A 106 -12.436 -24.335 0.100 1.00 0.00 C ATOM 1707 C LYS A 106 -13.017 -24.813 1.427 1.00 0.00 C ATOM 1708 O LYS A 106 -14.189 -24.484 1.709 1.00 0.00 O ATOM 1709 CB LYS A 106 -12.019 -22.861 0.201 1.00 0.00 C ATOM 1710 CG LYS A 106 -10.936 -22.595 1.236 1.00 0.00 C ATOM 1711 CD LYS A 106 -10.540 -21.127 1.263 1.00 0.00 C ATOM 1712 CE LYS A 106 -9.431 -20.868 2.270 1.00 0.00 C ATOM 1713 NZ LYS A 106 -9.861 -21.174 3.662 1.00 0.00 N ATOM 1714 OXT LYS A 106 -12.301 -25.516 2.169 1.00 0.00 O ATOM 0 H LYS A 106 -14.334 -24.138 -0.769 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.555 -24.936 -0.126 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.666 -22.526 -0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.896 -22.262 0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.292 -22.895 2.222 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.061 -23.205 1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.211 -20.819 0.270 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -11.409 -20.519 1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -8.562 -21.475 2.017 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.120 -19.825 2.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -9.161 -20.798 4.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.786 -20.734 3.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -9.938 -22.204 3.783 1.00 0.00 H new TER 1728 LYS A 106