USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 862 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 75 ASN : amide:sc= -0.461 X(o=-0.46,f=0) USER MOD Set 1.2: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 68 LYS NZ :NH3+ 167:sc= -0.534 (180deg=-0.684) USER MOD Set 2.2: A 92 TYR OH : rot 112:sc= 0.22 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0625 (180deg=0) USER MOD Single : A 2 SER OG : rot 49:sc= 1.26 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 27:sc= 1.27 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 51:sc= 0.46 USER MOD Single : A 12 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0506) USER MOD Single : A 14 LYS NZ :NH3+ 157:sc= -0.0664 (180deg=-0.429) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 66:sc= 1.28 USER MOD Single : A 22 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 69:sc= 0.0636 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -51:sc= 0.00399 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -54:sc= 0.111 USER MOD Single : A 59 GLN : amide:sc= -0.0675 K(o=-0.067,f=-1.7!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.15 K(o=-0.15,f=-2.3!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 84 TYR OH : rot 156:sc= 0.14 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -176:sc= 0 (180deg=-0.0292) USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 98 TYR OH : rot 141:sc= 1.25 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= -0.591 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -3.64 K(o=-3.6,f=-12!) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.123 3.229 -23.073 1.00 0.00 N ATOM 2 CA GLY A 1 -5.828 1.813 -23.187 1.00 0.00 C ATOM 3 C GLY A 1 -7.066 0.950 -23.048 1.00 0.00 C ATOM 4 O GLY A 1 -8.072 1.381 -22.484 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.938 3.697 -23.983 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.123 3.356 -22.816 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.520 3.651 -22.338 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.360 1.619 -24.152 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.105 1.533 -22.421 1.00 0.00 H new ATOM 8 N SER A 2 -6.994 -0.273 -23.565 1.00 0.00 N ATOM 9 CA SER A 2 -8.120 -1.197 -23.500 1.00 0.00 C ATOM 10 C SER A 2 -7.700 -2.596 -23.944 1.00 0.00 C ATOM 11 O SER A 2 -7.085 -2.767 -24.996 1.00 0.00 O ATOM 12 CB SER A 2 -9.270 -0.696 -24.376 1.00 0.00 C ATOM 13 OG SER A 2 -10.141 0.146 -23.641 1.00 0.00 O ATOM 0 H SER A 2 -6.168 -0.646 -24.033 1.00 0.00 H new ATOM 0 HA SER A 2 -8.457 -1.248 -22.465 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.869 -0.152 -25.232 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.827 -1.545 -24.771 1.00 0.00 H new ATOM 0 HG SER A 2 -9.616 0.816 -23.155 1.00 0.00 H new ATOM 19 N SER A 3 -8.038 -3.593 -23.133 1.00 0.00 N ATOM 20 CA SER A 3 -7.694 -4.977 -23.439 1.00 0.00 C ATOM 21 C SER A 3 -8.420 -5.937 -22.501 1.00 0.00 C ATOM 22 O SER A 3 -9.117 -5.514 -21.580 1.00 0.00 O ATOM 23 CB SER A 3 -6.182 -5.185 -23.330 1.00 0.00 C ATOM 24 OG SER A 3 -5.766 -5.198 -21.975 1.00 0.00 O ATOM 0 H SER A 3 -8.550 -3.469 -22.259 1.00 0.00 H new ATOM 0 HA SER A 3 -8.010 -5.187 -24.461 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.906 -6.125 -23.808 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.663 -4.390 -23.866 1.00 0.00 H new ATOM 0 HG SER A 3 -4.796 -5.334 -21.932 1.00 0.00 H new ATOM 30 N GLY A 4 -8.249 -7.233 -22.743 1.00 0.00 N ATOM 31 CA GLY A 4 -8.893 -8.234 -21.913 1.00 0.00 C ATOM 32 C GLY A 4 -8.788 -9.628 -22.498 1.00 0.00 C ATOM 33 O GLY A 4 -8.704 -9.793 -23.715 1.00 0.00 O ATOM 0 H GLY A 4 -7.676 -7.608 -23.499 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.441 -8.225 -20.921 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.944 -7.975 -21.786 1.00 0.00 H new ATOM 37 N SER A 5 -8.791 -10.635 -21.630 1.00 0.00 N ATOM 38 CA SER A 5 -8.689 -12.022 -22.068 1.00 0.00 C ATOM 39 C SER A 5 -8.909 -12.978 -20.899 1.00 0.00 C ATOM 40 O SER A 5 -8.046 -13.126 -20.033 1.00 0.00 O ATOM 41 CB SER A 5 -7.321 -12.280 -22.702 1.00 0.00 C ATOM 42 OG SER A 5 -7.331 -11.963 -24.083 1.00 0.00 O ATOM 0 H SER A 5 -8.863 -10.516 -20.620 1.00 0.00 H new ATOM 0 HA SER A 5 -9.465 -12.200 -22.812 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.563 -11.683 -22.194 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.046 -13.326 -22.568 1.00 0.00 H new ATOM 0 HG SER A 5 -8.010 -11.278 -24.256 1.00 0.00 H new ATOM 48 N SER A 6 -10.070 -13.624 -20.882 1.00 0.00 N ATOM 49 CA SER A 6 -10.406 -14.563 -19.818 1.00 0.00 C ATOM 50 C SER A 6 -11.324 -15.666 -20.337 1.00 0.00 C ATOM 51 O SER A 6 -11.983 -15.509 -21.365 1.00 0.00 O ATOM 52 CB SER A 6 -11.079 -13.830 -18.656 1.00 0.00 C ATOM 53 OG SER A 6 -12.230 -13.129 -19.092 1.00 0.00 O ATOM 0 H SER A 6 -10.794 -13.515 -21.592 1.00 0.00 H new ATOM 0 HA SER A 6 -9.481 -15.019 -19.464 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.357 -14.546 -17.883 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.374 -13.132 -18.205 1.00 0.00 H new ATOM 0 HG SER A 6 -12.642 -12.671 -18.330 1.00 0.00 H new ATOM 59 N GLY A 7 -11.361 -16.784 -19.618 1.00 0.00 N ATOM 60 CA GLY A 7 -12.200 -17.898 -20.021 1.00 0.00 C ATOM 61 C GLY A 7 -11.674 -19.229 -19.523 1.00 0.00 C ATOM 62 O GLY A 7 -11.209 -20.054 -20.310 1.00 0.00 O ATOM 0 H GLY A 7 -10.825 -16.938 -18.764 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.210 -17.745 -19.641 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.269 -17.922 -21.109 1.00 0.00 H new ATOM 66 N ARG A 8 -11.746 -19.440 -18.213 1.00 0.00 N ATOM 67 CA ARG A 8 -11.270 -20.679 -17.611 1.00 0.00 C ATOM 68 C ARG A 8 -12.079 -21.023 -16.364 1.00 0.00 C ATOM 69 O ARG A 8 -12.348 -20.160 -15.529 1.00 0.00 O ATOM 70 CB ARG A 8 -9.787 -20.562 -17.254 1.00 0.00 C ATOM 71 CG ARG A 8 -8.856 -20.852 -18.419 1.00 0.00 C ATOM 72 CD ARG A 8 -7.435 -20.396 -18.124 1.00 0.00 C ATOM 73 NE ARG A 8 -6.676 -21.408 -17.394 1.00 0.00 N ATOM 74 CZ ARG A 8 -6.720 -21.550 -16.074 1.00 0.00 C ATOM 75 NH1 ARG A 8 -7.483 -20.749 -15.343 1.00 0.00 N ATOM 76 NH2 ARG A 8 -6.001 -22.495 -15.483 1.00 0.00 N ATOM 0 H ARG A 8 -12.130 -18.768 -17.548 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.399 -21.480 -18.339 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.589 -19.556 -16.884 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.562 -21.251 -16.440 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.859 -21.921 -18.631 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.223 -20.348 -19.313 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.926 -20.167 -19.060 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.463 -19.475 -17.542 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.079 -22.041 -17.927 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.038 -20.022 -15.794 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.515 -20.860 -14.330 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.414 -23.114 -16.042 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.036 -22.603 -14.469 1.00 0.00 H new ATOM 90 N SER A 9 -12.464 -22.290 -16.245 1.00 0.00 N ATOM 91 CA SER A 9 -13.246 -22.747 -15.102 1.00 0.00 C ATOM 92 C SER A 9 -12.688 -24.056 -14.551 1.00 0.00 C ATOM 93 O SER A 9 -13.131 -25.148 -14.906 1.00 0.00 O ATOM 94 CB SER A 9 -14.711 -22.933 -15.501 1.00 0.00 C ATOM 95 OG SER A 9 -14.831 -23.803 -16.613 1.00 0.00 O ATOM 0 H SER A 9 -12.247 -23.018 -16.926 1.00 0.00 H new ATOM 0 HA SER A 9 -13.182 -21.988 -14.323 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.272 -23.336 -14.658 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.151 -21.965 -15.743 1.00 0.00 H new ATOM 0 HG SER A 9 -14.329 -24.627 -16.440 1.00 0.00 H new ATOM 101 N PRO A 10 -11.690 -23.944 -13.661 1.00 0.00 N ATOM 102 CA PRO A 10 -11.049 -25.107 -13.040 1.00 0.00 C ATOM 103 C PRO A 10 -11.973 -25.825 -12.062 1.00 0.00 C ATOM 104 O PRO A 10 -13.031 -25.310 -11.700 1.00 0.00 O ATOM 105 CB PRO A 10 -9.854 -24.501 -12.300 1.00 0.00 C ATOM 106 CG PRO A 10 -10.251 -23.091 -12.031 1.00 0.00 C ATOM 107 CD PRO A 10 -11.112 -22.674 -13.191 1.00 0.00 C ATOM 0 HA PRO A 10 -10.773 -25.862 -13.777 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.648 -25.038 -11.374 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.948 -24.549 -12.904 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.798 -23.012 -11.091 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.375 -22.449 -11.945 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.885 -21.970 -12.885 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.527 -22.186 -13.971 1.00 0.00 H new ATOM 115 N PHE A 11 -11.566 -27.017 -11.637 1.00 0.00 N ATOM 116 CA PHE A 11 -12.358 -27.805 -10.700 1.00 0.00 C ATOM 117 C PHE A 11 -11.495 -28.859 -10.011 1.00 0.00 C ATOM 118 O PHE A 11 -10.892 -29.709 -10.665 1.00 0.00 O ATOM 119 CB PHE A 11 -13.523 -28.480 -11.427 1.00 0.00 C ATOM 120 CG PHE A 11 -13.139 -29.756 -12.121 1.00 0.00 C ATOM 121 CD1 PHE A 11 -12.636 -29.733 -13.412 1.00 0.00 C ATOM 122 CD2 PHE A 11 -13.280 -30.977 -11.483 1.00 0.00 C ATOM 123 CE1 PHE A 11 -12.281 -30.905 -14.054 1.00 0.00 C ATOM 124 CE2 PHE A 11 -12.926 -32.152 -12.119 1.00 0.00 C ATOM 125 CZ PHE A 11 -12.427 -32.116 -13.406 1.00 0.00 C ATOM 0 H PHE A 11 -10.693 -27.458 -11.927 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.754 -27.131 -9.940 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.316 -28.691 -10.709 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -13.934 -27.786 -12.161 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.520 -28.789 -13.923 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.671 -31.012 -10.477 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -11.890 -30.874 -15.060 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.040 -33.098 -11.610 1.00 0.00 H new ATOM 0 HZ PHE A 11 -12.151 -33.033 -13.905 1.00 0.00 H new ATOM 135 N LYS A 12 -11.441 -28.795 -8.685 1.00 0.00 N ATOM 136 CA LYS A 12 -10.654 -29.742 -7.904 1.00 0.00 C ATOM 137 C LYS A 12 -10.916 -29.567 -6.412 1.00 0.00 C ATOM 138 O LYS A 12 -11.433 -28.537 -5.978 1.00 0.00 O ATOM 139 CB LYS A 12 -9.163 -29.559 -8.196 1.00 0.00 C ATOM 140 CG LYS A 12 -8.722 -28.106 -8.224 1.00 0.00 C ATOM 141 CD LYS A 12 -8.282 -27.630 -6.849 1.00 0.00 C ATOM 142 CE LYS A 12 -7.912 -26.155 -6.862 1.00 0.00 C ATOM 143 NZ LYS A 12 -9.111 -25.284 -7.014 1.00 0.00 N ATOM 0 H LYS A 12 -11.933 -28.096 -8.128 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.954 -30.750 -8.191 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.585 -30.091 -7.440 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.930 -30.019 -9.156 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.901 -27.988 -8.931 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.542 -27.483 -8.581 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.084 -27.799 -6.131 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.427 -28.218 -6.516 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.394 -25.902 -5.937 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.217 -25.962 -7.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.840 -24.291 -6.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.503 -25.397 -7.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.828 -25.555 -6.311 1.00 0.00 H new ATOM 157 N VAL A 13 -10.554 -30.579 -5.630 1.00 0.00 N ATOM 158 CA VAL A 13 -10.747 -30.536 -4.185 1.00 0.00 C ATOM 159 C VAL A 13 -10.478 -29.139 -3.636 1.00 0.00 C ATOM 160 O VAL A 13 -9.360 -28.630 -3.725 1.00 0.00 O ATOM 161 CB VAL A 13 -9.832 -31.544 -3.466 1.00 0.00 C ATOM 162 CG1 VAL A 13 -10.175 -32.967 -3.881 1.00 0.00 C ATOM 163 CG2 VAL A 13 -8.370 -31.234 -3.751 1.00 0.00 C ATOM 0 H VAL A 13 -10.125 -31.439 -5.973 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.787 -30.803 -3.996 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.996 -31.455 -2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.518 -33.666 -3.363 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.211 -33.182 -3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.042 -33.074 -4.957 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.738 -31.956 -3.235 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.188 -31.294 -4.824 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.136 -30.230 -3.399 1.00 0.00 H new ATOM 173 N LYS A 14 -11.509 -28.524 -3.067 1.00 0.00 N ATOM 174 CA LYS A 14 -11.384 -27.186 -2.500 1.00 0.00 C ATOM 175 C LYS A 14 -10.543 -27.210 -1.228 1.00 0.00 C ATOM 176 O LYS A 14 -10.933 -27.806 -0.225 1.00 0.00 O ATOM 177 CB LYS A 14 -12.768 -26.608 -2.198 1.00 0.00 C ATOM 178 CG LYS A 14 -13.616 -27.494 -1.302 1.00 0.00 C ATOM 179 CD LYS A 14 -14.999 -26.904 -1.082 1.00 0.00 C ATOM 180 CE LYS A 14 -15.973 -27.348 -2.162 1.00 0.00 C ATOM 181 NZ LYS A 14 -16.264 -28.806 -2.082 1.00 0.00 N ATOM 0 H LYS A 14 -12.441 -28.931 -2.986 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.884 -26.553 -3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.650 -25.634 -1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.296 -26.444 -3.137 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.709 -28.483 -1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.118 -27.624 -0.341 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.374 -27.208 -0.105 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.934 -25.816 -1.074 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.902 -26.787 -2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.559 -27.114 -3.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.178 -29.003 -2.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.513 -29.337 -2.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.305 -29.098 -1.085 1.00 0.00 H new ATOM 195 N VAL A 15 -9.386 -26.557 -1.277 1.00 0.00 N ATOM 196 CA VAL A 15 -8.490 -26.501 -0.128 1.00 0.00 C ATOM 197 C VAL A 15 -8.015 -25.076 0.129 1.00 0.00 C ATOM 198 O VAL A 15 -7.896 -24.272 -0.797 1.00 0.00 O ATOM 199 CB VAL A 15 -7.264 -27.411 -0.327 1.00 0.00 C ATOM 200 CG1 VAL A 15 -7.685 -28.873 -0.365 1.00 0.00 C ATOM 201 CG2 VAL A 15 -6.518 -27.029 -1.596 1.00 0.00 C ATOM 0 H VAL A 15 -9.047 -26.059 -2.100 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.058 -26.853 0.733 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.590 -27.274 0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.806 -29.501 -0.506 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.172 -29.136 0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.380 -29.030 -1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.654 -27.682 -1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.181 -27.136 -2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.183 -25.994 -1.524 1.00 0.00 H new ATOM 211 N LEU A 16 -7.743 -24.768 1.393 1.00 0.00 N ATOM 212 CA LEU A 16 -7.278 -23.438 1.773 1.00 0.00 C ATOM 213 C LEU A 16 -6.108 -22.999 0.899 1.00 0.00 C ATOM 214 O LEU A 16 -5.272 -23.804 0.488 1.00 0.00 O ATOM 215 CB LEU A 16 -6.864 -23.423 3.245 1.00 0.00 C ATOM 216 CG LEU A 16 -7.927 -23.877 4.247 1.00 0.00 C ATOM 217 CD1 LEU A 16 -7.842 -25.378 4.472 1.00 0.00 C ATOM 218 CD2 LEU A 16 -7.774 -23.129 5.563 1.00 0.00 C ATOM 0 H LEU A 16 -7.836 -25.421 2.171 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.100 -22.737 1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.988 -24.061 3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.558 -22.410 3.505 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.909 -23.647 3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.606 -25.682 5.188 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.002 -25.897 3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.857 -25.632 4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.539 -23.465 6.263 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.787 -23.326 5.981 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.887 -22.059 5.389 1.00 0.00 H new ATOM 230 N PRO A 17 -6.043 -21.691 0.609 1.00 0.00 N ATOM 231 CA PRO A 17 -4.978 -21.115 -0.217 1.00 0.00 C ATOM 232 C PRO A 17 -3.627 -21.125 0.491 1.00 0.00 C ATOM 233 O PRO A 17 -3.558 -21.180 1.719 1.00 0.00 O ATOM 234 CB PRO A 17 -5.449 -19.677 -0.450 1.00 0.00 C ATOM 235 CG PRO A 17 -6.336 -19.376 0.708 1.00 0.00 C ATOM 236 CD PRO A 17 -7.006 -20.674 1.065 1.00 0.00 C ATOM 0 HA PRO A 17 -4.822 -21.681 -1.135 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.607 -18.987 -0.493 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -5.986 -19.584 -1.394 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.761 -18.989 1.550 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.072 -18.615 0.448 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.192 -20.749 2.136 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.969 -20.780 0.566 1.00 0.00 H new ATOM 244 N THR A 18 -2.554 -21.070 -0.292 1.00 0.00 N ATOM 245 CA THR A 18 -1.205 -21.073 0.259 1.00 0.00 C ATOM 246 C THR A 18 -0.793 -19.677 0.712 1.00 0.00 C ATOM 247 O THR A 18 0.023 -19.525 1.622 1.00 0.00 O ATOM 248 CB THR A 18 -0.180 -21.591 -0.767 1.00 0.00 C ATOM 249 OG1 THR A 18 -0.551 -22.900 -1.213 1.00 0.00 O ATOM 250 CG2 THR A 18 1.216 -21.632 -0.164 1.00 0.00 C ATOM 0 H THR A 18 -2.593 -21.023 -1.310 1.00 0.00 H new ATOM 0 HA THR A 18 -1.217 -21.742 1.119 1.00 0.00 H new ATOM 0 HB THR A 18 -0.172 -20.907 -1.616 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.105 -23.221 -1.866 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.923 -22.001 -0.907 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.508 -20.629 0.147 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.219 -22.295 0.701 1.00 0.00 H new ATOM 258 N TYR A 19 -1.361 -18.661 0.073 1.00 0.00 N ATOM 259 CA TYR A 19 -1.051 -17.277 0.410 1.00 0.00 C ATOM 260 C TYR A 19 -1.486 -16.952 1.835 1.00 0.00 C ATOM 261 O TYR A 19 -2.429 -17.546 2.359 1.00 0.00 O ATOM 262 CB TYR A 19 -1.734 -16.325 -0.574 1.00 0.00 C ATOM 263 CG TYR A 19 -3.178 -16.035 -0.231 1.00 0.00 C ATOM 264 CD1 TYR A 19 -3.508 -15.100 0.742 1.00 0.00 C ATOM 265 CD2 TYR A 19 -4.213 -16.696 -0.882 1.00 0.00 C ATOM 266 CE1 TYR A 19 -4.825 -14.833 1.059 1.00 0.00 C ATOM 267 CE2 TYR A 19 -5.534 -16.434 -0.573 1.00 0.00 C ATOM 268 CZ TYR A 19 -5.835 -15.502 0.399 1.00 0.00 C ATOM 269 OH TYR A 19 -7.149 -15.237 0.710 1.00 0.00 O ATOM 0 H TYR A 19 -2.039 -18.770 -0.681 1.00 0.00 H new ATOM 0 HA TYR A 19 0.029 -17.147 0.341 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.180 -15.387 -0.603 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.686 -16.754 -1.575 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.720 -14.573 1.260 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.981 -17.427 -1.642 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.063 -14.104 1.820 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.326 -16.956 -1.089 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.366 -14.316 0.454 1.00 0.00 H new ATOM 279 N ASP A 20 -0.794 -16.004 2.457 1.00 0.00 N ATOM 280 CA ASP A 20 -1.109 -15.597 3.822 1.00 0.00 C ATOM 281 C ASP A 20 -0.847 -14.107 4.019 1.00 0.00 C ATOM 282 O ASP A 20 0.280 -13.639 3.861 1.00 0.00 O ATOM 283 CB ASP A 20 -0.284 -16.409 4.822 1.00 0.00 C ATOM 284 CG ASP A 20 -0.977 -17.693 5.236 1.00 0.00 C ATOM 285 OD1 ASP A 20 -1.133 -18.587 4.378 1.00 0.00 O ATOM 286 OD2 ASP A 20 -1.361 -17.804 6.419 1.00 0.00 O ATOM 0 H ASP A 20 -0.011 -15.503 2.038 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.168 -15.788 3.997 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.684 -16.648 4.381 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.091 -15.802 5.707 1.00 0.00 H new ATOM 291 N ALA A 21 -1.896 -13.368 4.363 1.00 0.00 N ATOM 292 CA ALA A 21 -1.780 -11.932 4.583 1.00 0.00 C ATOM 293 C ALA A 21 -0.871 -11.630 5.770 1.00 0.00 C ATOM 294 O ALA A 21 0.057 -10.828 5.665 1.00 0.00 O ATOM 295 CB ALA A 21 -3.155 -11.318 4.798 1.00 0.00 C ATOM 0 H ALA A 21 -2.836 -13.740 4.495 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.332 -11.488 3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.053 -10.245 4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.774 -11.494 3.918 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.625 -11.774 5.669 1.00 0.00 H new ATOM 301 N SER A 22 -1.145 -12.276 6.898 1.00 0.00 N ATOM 302 CA SER A 22 -0.355 -12.073 8.106 1.00 0.00 C ATOM 303 C SER A 22 1.137 -12.174 7.803 1.00 0.00 C ATOM 304 O SER A 22 1.961 -11.542 8.464 1.00 0.00 O ATOM 305 CB SER A 22 -0.741 -13.100 9.173 1.00 0.00 C ATOM 306 OG SER A 22 -2.149 -13.226 9.274 1.00 0.00 O ATOM 0 H SER A 22 -1.908 -12.945 7.001 1.00 0.00 H new ATOM 0 HA SER A 22 -0.565 -11.072 8.483 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.303 -14.067 8.927 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.330 -12.800 10.137 1.00 0.00 H new ATOM 0 HG SER A 22 -2.370 -13.889 9.961 1.00 0.00 H new ATOM 312 N LYS A 23 1.477 -12.974 6.798 1.00 0.00 N ATOM 313 CA LYS A 23 2.869 -13.158 6.404 1.00 0.00 C ATOM 314 C LYS A 23 3.306 -12.072 5.426 1.00 0.00 C ATOM 315 O LYS A 23 4.196 -12.286 4.603 1.00 0.00 O ATOM 316 CB LYS A 23 3.062 -14.538 5.771 1.00 0.00 C ATOM 317 CG LYS A 23 3.057 -15.675 6.777 1.00 0.00 C ATOM 318 CD LYS A 23 4.393 -15.794 7.492 1.00 0.00 C ATOM 319 CE LYS A 23 4.593 -17.185 8.072 1.00 0.00 C ATOM 320 NZ LYS A 23 5.999 -17.407 8.509 1.00 0.00 N ATOM 0 H LYS A 23 0.808 -13.505 6.241 1.00 0.00 H new ATOM 0 HA LYS A 23 3.487 -13.085 7.299 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.271 -14.707 5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.006 -14.550 5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.265 -15.511 7.508 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.831 -16.612 6.267 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.201 -15.570 6.795 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.446 -15.054 8.291 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.923 -17.325 8.920 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.322 -17.932 7.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.094 -18.367 8.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.637 -17.299 7.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.250 -16.711 9.240 1.00 0.00 H new ATOM 334 N VAL A 24 2.676 -10.906 5.524 1.00 0.00 N ATOM 335 CA VAL A 24 3.002 -9.786 4.650 1.00 0.00 C ATOM 336 C VAL A 24 3.554 -8.609 5.447 1.00 0.00 C ATOM 337 O VAL A 24 2.865 -8.041 6.295 1.00 0.00 O ATOM 338 CB VAL A 24 1.770 -9.318 3.852 1.00 0.00 C ATOM 339 CG1 VAL A 24 2.064 -8.011 3.132 1.00 0.00 C ATOM 340 CG2 VAL A 24 1.334 -10.393 2.868 1.00 0.00 C ATOM 0 H VAL A 24 1.937 -10.712 6.200 1.00 0.00 H new ATOM 0 HA VAL A 24 3.763 -10.140 3.954 1.00 0.00 H new ATOM 0 HB VAL A 24 0.951 -9.143 4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.182 -7.697 2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.324 -7.244 3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.897 -8.154 2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.463 -10.046 2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.148 -10.602 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.079 -11.302 3.412 1.00 0.00 H new ATOM 350 N THR A 25 4.803 -8.247 5.169 1.00 0.00 N ATOM 351 CA THR A 25 5.449 -7.138 5.860 1.00 0.00 C ATOM 352 C THR A 25 6.029 -6.136 4.869 1.00 0.00 C ATOM 353 O THR A 25 6.359 -6.488 3.737 1.00 0.00 O ATOM 354 CB THR A 25 6.573 -7.634 6.789 1.00 0.00 C ATOM 355 OG1 THR A 25 7.487 -8.458 6.057 1.00 0.00 O ATOM 356 CG2 THR A 25 6.000 -8.419 7.960 1.00 0.00 C ATOM 0 H THR A 25 5.387 -8.706 4.470 1.00 0.00 H new ATOM 0 HA THR A 25 4.681 -6.649 6.460 1.00 0.00 H new ATOM 0 HB THR A 25 7.102 -6.764 7.179 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.982 -7.907 5.415 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.812 -8.759 8.602 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.328 -7.780 8.533 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.449 -9.281 7.585 1.00 0.00 H new ATOM 364 N ALA A 26 6.152 -4.885 5.302 1.00 0.00 N ATOM 365 CA ALA A 26 6.695 -3.832 4.454 1.00 0.00 C ATOM 366 C ALA A 26 7.672 -2.953 5.227 1.00 0.00 C ATOM 367 O ALA A 26 7.495 -2.715 6.422 1.00 0.00 O ATOM 368 CB ALA A 26 5.570 -2.990 3.872 1.00 0.00 C ATOM 0 H ALA A 26 5.882 -4.577 6.236 1.00 0.00 H new ATOM 0 HA ALA A 26 7.241 -4.303 3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.991 -2.207 3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.913 -3.623 3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.999 -2.535 4.682 1.00 0.00 H new ATOM 374 N SER A 27 8.702 -2.473 4.538 1.00 0.00 N ATOM 375 CA SER A 27 9.710 -1.623 5.162 1.00 0.00 C ATOM 376 C SER A 27 10.100 -0.475 4.237 1.00 0.00 C ATOM 377 O SER A 27 9.974 -0.575 3.017 1.00 0.00 O ATOM 378 CB SER A 27 10.948 -2.446 5.524 1.00 0.00 C ATOM 379 OG SER A 27 11.592 -2.936 4.360 1.00 0.00 O ATOM 0 H SER A 27 8.861 -2.658 3.548 1.00 0.00 H new ATOM 0 HA SER A 27 9.283 -1.203 6.073 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.643 -1.831 6.097 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.660 -3.281 6.163 1.00 0.00 H new ATOM 0 HG SER A 27 12.381 -3.457 4.617 1.00 0.00 H new ATOM 385 N GLY A 28 10.576 0.618 4.828 1.00 0.00 N ATOM 386 CA GLY A 28 10.977 1.770 4.043 1.00 0.00 C ATOM 387 C GLY A 28 10.593 3.081 4.700 1.00 0.00 C ATOM 388 O GLY A 28 10.000 3.110 5.778 1.00 0.00 O ATOM 0 H GLY A 28 10.691 0.725 5.836 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.056 1.745 3.892 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.516 1.712 3.057 1.00 0.00 H new ATOM 392 N PRO A 29 10.935 4.199 4.043 1.00 0.00 N ATOM 393 CA PRO A 29 10.632 5.541 4.551 1.00 0.00 C ATOM 394 C PRO A 29 9.141 5.854 4.508 1.00 0.00 C ATOM 395 O PRO A 29 8.621 6.567 5.365 1.00 0.00 O ATOM 396 CB PRO A 29 11.401 6.462 3.601 1.00 0.00 C ATOM 397 CG PRO A 29 11.529 5.682 2.338 1.00 0.00 C ATOM 398 CD PRO A 29 11.643 4.241 2.752 1.00 0.00 C ATOM 0 HA PRO A 29 10.915 5.654 5.597 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.866 7.397 3.436 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.379 6.722 4.007 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.663 5.836 1.695 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.406 5.996 1.772 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.185 3.575 2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.684 3.934 2.854 1.00 0.00 H new ATOM 406 N GLY A 30 8.456 5.317 3.502 1.00 0.00 N ATOM 407 CA GLY A 30 7.031 5.551 3.366 1.00 0.00 C ATOM 408 C GLY A 30 6.253 5.124 4.596 1.00 0.00 C ATOM 409 O GLY A 30 5.261 5.756 4.962 1.00 0.00 O ATOM 0 H GLY A 30 8.864 4.724 2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.856 6.611 3.179 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.658 5.008 2.497 1.00 0.00 H new ATOM 413 N LEU A 31 6.702 4.049 5.234 1.00 0.00 N ATOM 414 CA LEU A 31 6.040 3.537 6.429 1.00 0.00 C ATOM 415 C LEU A 31 6.818 3.914 7.686 1.00 0.00 C ATOM 416 O LEU A 31 6.697 3.261 8.722 1.00 0.00 O ATOM 417 CB LEU A 31 5.894 2.017 6.343 1.00 0.00 C ATOM 418 CG LEU A 31 5.260 1.475 5.061 1.00 0.00 C ATOM 419 CD1 LEU A 31 5.703 0.042 4.811 1.00 0.00 C ATOM 420 CD2 LEU A 31 3.743 1.560 5.139 1.00 0.00 C ATOM 0 H LEU A 31 7.521 3.515 4.944 1.00 0.00 H new ATOM 0 HA LEU A 31 5.050 3.988 6.488 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.882 1.570 6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.296 1.681 7.190 1.00 0.00 H new ATOM 0 HG LEU A 31 5.596 2.089 4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.242 -0.327 3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.788 0.009 4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.397 -0.585 5.649 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.309 1.170 4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.389 0.971 5.985 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.443 2.600 5.270 1.00 0.00 H new ATOM 432 N SER A 32 7.616 4.972 7.586 1.00 0.00 N ATOM 433 CA SER A 32 8.415 5.436 8.715 1.00 0.00 C ATOM 434 C SER A 32 7.529 6.056 9.790 1.00 0.00 C ATOM 435 O SER A 32 6.871 7.071 9.559 1.00 0.00 O ATOM 436 CB SER A 32 9.456 6.454 8.246 1.00 0.00 C ATOM 437 OG SER A 32 10.027 7.143 9.344 1.00 0.00 O ATOM 0 H SER A 32 7.727 5.524 6.736 1.00 0.00 H new ATOM 0 HA SER A 32 8.927 4.575 9.144 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.240 5.945 7.685 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.990 7.168 7.567 1.00 0.00 H new ATOM 0 HG SER A 32 10.690 7.786 9.017 1.00 0.00 H new ATOM 443 N SER A 33 7.516 5.438 10.967 1.00 0.00 N ATOM 444 CA SER A 33 6.708 5.927 12.078 1.00 0.00 C ATOM 445 C SER A 33 7.460 6.993 12.869 1.00 0.00 C ATOM 446 O SER A 33 7.219 7.182 14.062 1.00 0.00 O ATOM 447 CB SER A 33 6.319 4.770 13.001 1.00 0.00 C ATOM 448 OG SER A 33 5.286 3.987 12.429 1.00 0.00 O ATOM 0 H SER A 33 8.056 4.598 11.176 1.00 0.00 H new ATOM 0 HA SER A 33 5.803 6.375 11.667 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.191 4.144 13.192 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.991 5.163 13.964 1.00 0.00 H new ATOM 0 HG SER A 33 4.552 4.571 12.146 1.00 0.00 H new ATOM 454 N TYR A 34 8.372 7.686 12.197 1.00 0.00 N ATOM 455 CA TYR A 34 9.161 8.732 12.837 1.00 0.00 C ATOM 456 C TYR A 34 8.834 10.100 12.247 1.00 0.00 C ATOM 457 O TYR A 34 8.849 11.111 12.948 1.00 0.00 O ATOM 458 CB TYR A 34 10.655 8.441 12.679 1.00 0.00 C ATOM 459 CG TYR A 34 11.198 7.483 13.715 1.00 0.00 C ATOM 460 CD1 TYR A 34 10.981 7.699 15.071 1.00 0.00 C ATOM 461 CD2 TYR A 34 11.927 6.362 13.339 1.00 0.00 C ATOM 462 CE1 TYR A 34 11.476 6.827 16.021 1.00 0.00 C ATOM 463 CE2 TYR A 34 12.424 5.484 14.283 1.00 0.00 C ATOM 464 CZ TYR A 34 12.196 5.720 15.622 1.00 0.00 C ATOM 465 OH TYR A 34 12.691 4.849 16.565 1.00 0.00 O ATOM 0 H TYR A 34 8.583 7.543 11.210 1.00 0.00 H new ATOM 0 HA TYR A 34 8.909 8.744 13.897 1.00 0.00 H new ATOM 0 HB2 TYR A 34 10.833 8.028 11.686 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.208 9.379 12.738 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.416 8.563 15.387 1.00 0.00 H new ATOM 0 HD2 TYR A 34 12.108 6.174 12.291 1.00 0.00 H new ATOM 0 HE1 TYR A 34 11.300 7.011 17.071 1.00 0.00 H new ATOM 0 HE2 TYR A 34 12.988 4.617 13.973 1.00 0.00 H new ATOM 0 HH TYR A 34 13.173 4.122 16.118 1.00 0.00 H new ATOM 475 N GLY A 35 8.536 10.123 10.951 1.00 0.00 N ATOM 476 CA GLY A 35 8.208 11.371 10.287 1.00 0.00 C ATOM 477 C GLY A 35 8.681 11.404 8.847 1.00 0.00 C ATOM 478 O GLY A 35 9.860 11.186 8.569 1.00 0.00 O ATOM 0 H GLY A 35 8.516 9.300 10.349 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.129 11.521 10.315 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.659 12.199 10.833 1.00 0.00 H new ATOM 482 N VAL A 36 7.759 11.675 7.929 1.00 0.00 N ATOM 483 CA VAL A 36 8.088 11.734 6.510 1.00 0.00 C ATOM 484 C VAL A 36 8.013 13.165 5.988 1.00 0.00 C ATOM 485 O VAL A 36 7.224 13.984 6.460 1.00 0.00 O ATOM 486 CB VAL A 36 7.145 10.846 5.677 1.00 0.00 C ATOM 487 CG1 VAL A 36 7.296 9.386 6.077 1.00 0.00 C ATOM 488 CG2 VAL A 36 5.704 11.304 5.835 1.00 0.00 C ATOM 0 H VAL A 36 6.778 11.857 8.143 1.00 0.00 H new ATOM 0 HA VAL A 36 9.108 11.365 6.406 1.00 0.00 H new ATOM 0 HB VAL A 36 7.419 10.941 4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.622 8.773 5.478 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.324 9.067 5.907 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.050 9.271 7.133 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.052 10.665 5.239 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.415 11.240 6.884 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.611 12.335 5.495 1.00 0.00 H new ATOM 498 N PRO A 37 8.853 13.475 4.989 1.00 0.00 N ATOM 499 CA PRO A 37 8.900 14.808 4.380 1.00 0.00 C ATOM 500 C PRO A 37 7.653 15.114 3.558 1.00 0.00 C ATOM 501 O PRO A 37 7.322 14.387 2.621 1.00 0.00 O ATOM 502 CB PRO A 37 10.134 14.741 3.476 1.00 0.00 C ATOM 503 CG PRO A 37 10.294 13.294 3.160 1.00 0.00 C ATOM 504 CD PRO A 37 9.820 12.549 4.378 1.00 0.00 C ATOM 0 HA PRO A 37 8.946 15.598 5.130 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.994 15.331 2.570 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.016 15.136 3.980 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.709 13.019 2.282 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.334 13.056 2.937 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.355 11.600 4.113 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.643 12.322 5.056 1.00 0.00 H new ATOM 512 N ALA A 38 6.965 16.194 3.914 1.00 0.00 N ATOM 513 CA ALA A 38 5.756 16.597 3.207 1.00 0.00 C ATOM 514 C ALA A 38 6.052 16.900 1.742 1.00 0.00 C ATOM 515 O ALA A 38 7.206 17.095 1.359 1.00 0.00 O ATOM 516 CB ALA A 38 5.128 17.807 3.882 1.00 0.00 C ATOM 0 H ALA A 38 7.225 16.805 4.688 1.00 0.00 H new ATOM 0 HA ALA A 38 5.050 15.767 3.244 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.226 18.097 3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.871 17.557 4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.836 18.635 3.876 1.00 0.00 H new ATOM 522 N SER A 39 5.003 16.938 0.926 1.00 0.00 N ATOM 523 CA SER A 39 5.151 17.213 -0.498 1.00 0.00 C ATOM 524 C SER A 39 6.371 16.494 -1.066 1.00 0.00 C ATOM 525 O SER A 39 7.113 17.050 -1.877 1.00 0.00 O ATOM 526 CB SER A 39 5.275 18.718 -0.738 1.00 0.00 C ATOM 527 OG SER A 39 5.050 19.038 -2.100 1.00 0.00 O ATOM 0 H SER A 39 4.041 16.782 1.227 1.00 0.00 H new ATOM 0 HA SER A 39 4.262 16.843 -1.009 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.557 19.249 -0.113 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.268 19.056 -0.441 1.00 0.00 H new ATOM 0 HG SER A 39 5.652 18.509 -2.664 1.00 0.00 H new ATOM 533 N LEU A 40 6.574 15.254 -0.634 1.00 0.00 N ATOM 534 CA LEU A 40 7.704 14.457 -1.098 1.00 0.00 C ATOM 535 C LEU A 40 7.255 13.054 -1.495 1.00 0.00 C ATOM 536 O LEU A 40 6.673 12.315 -0.701 1.00 0.00 O ATOM 537 CB LEU A 40 8.776 14.373 -0.010 1.00 0.00 C ATOM 538 CG LEU A 40 10.182 13.998 -0.479 1.00 0.00 C ATOM 539 CD1 LEU A 40 10.200 12.580 -1.029 1.00 0.00 C ATOM 540 CD2 LEU A 40 10.675 14.985 -1.527 1.00 0.00 C ATOM 0 H LEU A 40 5.970 14.779 0.037 1.00 0.00 H new ATOM 0 HA LEU A 40 8.125 14.946 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.829 15.337 0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.455 13.642 0.732 1.00 0.00 H new ATOM 0 HG LEU A 40 10.855 14.042 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.209 12.330 -1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.890 11.884 -0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.515 12.509 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.677 14.703 -1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.001 14.973 -2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.700 15.987 -1.099 1.00 0.00 H new ATOM 552 N PRO A 41 7.532 12.677 -2.751 1.00 0.00 N ATOM 553 CA PRO A 41 7.168 11.359 -3.281 1.00 0.00 C ATOM 554 C PRO A 41 7.990 10.237 -2.658 1.00 0.00 C ATOM 555 O PRO A 41 9.120 9.976 -3.074 1.00 0.00 O ATOM 556 CB PRO A 41 7.475 11.481 -4.776 1.00 0.00 C ATOM 557 CG PRO A 41 8.520 12.538 -4.863 1.00 0.00 C ATOM 558 CD PRO A 41 8.224 13.507 -3.752 1.00 0.00 C ATOM 0 HA PRO A 41 6.130 11.105 -3.064 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.833 10.536 -5.185 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.585 11.757 -5.342 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.517 12.111 -4.753 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.492 13.036 -5.832 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.136 13.946 -3.348 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.597 14.331 -4.094 1.00 0.00 H new ATOM 566 N VAL A 42 7.417 9.573 -1.659 1.00 0.00 N ATOM 567 CA VAL A 42 8.097 8.477 -0.979 1.00 0.00 C ATOM 568 C VAL A 42 7.442 7.139 -1.305 1.00 0.00 C ATOM 569 O VAL A 42 6.239 7.069 -1.554 1.00 0.00 O ATOM 570 CB VAL A 42 8.098 8.677 0.548 1.00 0.00 C ATOM 571 CG1 VAL A 42 6.680 8.884 1.060 1.00 0.00 C ATOM 572 CG2 VAL A 42 8.756 7.493 1.240 1.00 0.00 C ATOM 0 H VAL A 42 6.483 9.775 -1.303 1.00 0.00 H new ATOM 0 HA VAL A 42 9.126 8.472 -1.337 1.00 0.00 H new ATOM 0 HB VAL A 42 8.677 9.571 0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.700 9.024 2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.248 9.766 0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.075 8.010 0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.748 7.651 2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.207 6.582 1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.786 7.396 0.895 1.00 0.00 H new ATOM 582 N ASP A 43 8.243 6.079 -1.301 1.00 0.00 N ATOM 583 CA ASP A 43 7.742 4.741 -1.594 1.00 0.00 C ATOM 584 C ASP A 43 8.437 3.698 -0.726 1.00 0.00 C ATOM 585 O ASP A 43 9.638 3.787 -0.472 1.00 0.00 O ATOM 586 CB ASP A 43 7.946 4.410 -3.073 1.00 0.00 C ATOM 587 CG ASP A 43 9.388 4.577 -3.510 1.00 0.00 C ATOM 588 OD1 ASP A 43 9.754 5.692 -3.937 1.00 0.00 O ATOM 589 OD2 ASP A 43 10.151 3.592 -3.424 1.00 0.00 O ATOM 0 H ASP A 43 9.242 6.120 -1.098 1.00 0.00 H new ATOM 0 HA ASP A 43 6.676 4.722 -1.369 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.629 3.384 -3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.309 5.055 -3.678 1.00 0.00 H new ATOM 594 N PHE A 44 7.674 2.709 -0.272 1.00 0.00 N ATOM 595 CA PHE A 44 8.216 1.649 0.570 1.00 0.00 C ATOM 596 C PHE A 44 8.387 0.357 -0.224 1.00 0.00 C ATOM 597 O PHE A 44 8.110 0.311 -1.422 1.00 0.00 O ATOM 598 CB PHE A 44 7.301 1.405 1.772 1.00 0.00 C ATOM 599 CG PHE A 44 5.847 1.312 1.409 1.00 0.00 C ATOM 600 CD1 PHE A 44 5.106 2.457 1.164 1.00 0.00 C ATOM 601 CD2 PHE A 44 5.220 0.080 1.313 1.00 0.00 C ATOM 602 CE1 PHE A 44 3.767 2.376 0.829 1.00 0.00 C ATOM 603 CE2 PHE A 44 3.882 -0.008 0.978 1.00 0.00 C ATOM 604 CZ PHE A 44 3.155 1.141 0.738 1.00 0.00 C ATOM 0 H PHE A 44 6.678 2.620 -0.473 1.00 0.00 H new ATOM 0 HA PHE A 44 9.195 1.968 0.927 1.00 0.00 H new ATOM 0 HB2 PHE A 44 7.603 0.482 2.267 1.00 0.00 H new ATOM 0 HB3 PHE A 44 7.437 2.212 2.492 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.580 3.425 1.236 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.783 -0.822 1.502 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.201 3.276 0.639 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.406 -0.974 0.904 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.109 1.074 0.479 1.00 0.00 H new ATOM 614 N ALA A 45 8.846 -0.690 0.453 1.00 0.00 N ATOM 615 CA ALA A 45 9.053 -1.983 -0.187 1.00 0.00 C ATOM 616 C ALA A 45 8.297 -3.086 0.546 1.00 0.00 C ATOM 617 O ALA A 45 8.418 -3.231 1.763 1.00 0.00 O ATOM 618 CB ALA A 45 10.537 -2.310 -0.250 1.00 0.00 C ATOM 0 H ALA A 45 9.082 -0.668 1.445 1.00 0.00 H new ATOM 0 HA ALA A 45 8.662 -1.924 -1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.676 -3.278 -0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.055 -1.542 -0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.945 -2.344 0.760 1.00 0.00 H new ATOM 624 N ILE A 46 7.517 -3.860 -0.201 1.00 0.00 N ATOM 625 CA ILE A 46 6.743 -4.950 0.379 1.00 0.00 C ATOM 626 C ILE A 46 7.413 -6.296 0.127 1.00 0.00 C ATOM 627 O ILE A 46 7.359 -6.831 -0.981 1.00 0.00 O ATOM 628 CB ILE A 46 5.312 -4.988 -0.189 1.00 0.00 C ATOM 629 CG1 ILE A 46 4.620 -3.640 0.022 1.00 0.00 C ATOM 630 CG2 ILE A 46 4.513 -6.107 0.463 1.00 0.00 C ATOM 631 CD1 ILE A 46 3.446 -3.411 -0.905 1.00 0.00 C ATOM 0 H ILE A 46 7.404 -3.752 -1.209 1.00 0.00 H new ATOM 0 HA ILE A 46 6.695 -4.766 1.452 1.00 0.00 H new ATOM 0 HB ILE A 46 5.367 -5.183 -1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.275 -3.575 1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.347 -2.841 -0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.504 -6.121 0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.998 -7.063 0.267 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.464 -5.940 1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.004 -2.436 -0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.788 -3.443 -1.940 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.699 -4.189 -0.745 1.00 0.00 H new ATOM 643 N ASP A 47 8.044 -6.840 1.162 1.00 0.00 N ATOM 644 CA ASP A 47 8.723 -8.126 1.054 1.00 0.00 C ATOM 645 C ASP A 47 7.891 -9.235 1.691 1.00 0.00 C ATOM 646 O ASP A 47 7.577 -9.184 2.880 1.00 0.00 O ATOM 647 CB ASP A 47 10.099 -8.058 1.718 1.00 0.00 C ATOM 648 CG ASP A 47 10.117 -7.130 2.918 1.00 0.00 C ATOM 649 OD1 ASP A 47 9.101 -7.077 3.641 1.00 0.00 O ATOM 650 OD2 ASP A 47 11.147 -6.457 3.131 1.00 0.00 O ATOM 0 H ASP A 47 8.099 -6.410 2.085 1.00 0.00 H new ATOM 0 HA ASP A 47 8.850 -8.354 -0.004 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.398 -9.058 2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.835 -7.719 0.989 1.00 0.00 H new ATOM 655 N ALA A 48 7.538 -10.236 0.892 1.00 0.00 N ATOM 656 CA ALA A 48 6.743 -11.358 1.378 1.00 0.00 C ATOM 657 C ALA A 48 7.581 -12.629 1.458 1.00 0.00 C ATOM 658 O ALA A 48 8.194 -13.043 0.474 1.00 0.00 O ATOM 659 CB ALA A 48 5.534 -11.576 0.481 1.00 0.00 C ATOM 0 H ALA A 48 7.790 -10.293 -0.095 1.00 0.00 H new ATOM 0 HA ALA A 48 6.397 -11.118 2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.950 -12.416 0.856 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.917 -10.678 0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.868 -11.790 -0.534 1.00 0.00 H new ATOM 665 N ARG A 49 7.603 -13.244 2.636 1.00 0.00 N ATOM 666 CA ARG A 49 8.368 -14.468 2.845 1.00 0.00 C ATOM 667 C ARG A 49 7.482 -15.698 2.673 1.00 0.00 C ATOM 668 O ARG A 49 7.769 -16.572 1.854 1.00 0.00 O ATOM 669 CB ARG A 49 8.996 -14.470 4.240 1.00 0.00 C ATOM 670 CG ARG A 49 10.018 -13.364 4.450 1.00 0.00 C ATOM 671 CD ARG A 49 11.301 -13.638 3.682 1.00 0.00 C ATOM 672 NE ARG A 49 11.971 -12.405 3.277 1.00 0.00 N ATOM 673 CZ ARG A 49 13.226 -12.359 2.844 1.00 0.00 C ATOM 674 NH1 ARG A 49 13.943 -13.471 2.758 1.00 0.00 N ATOM 675 NH2 ARG A 49 13.766 -11.199 2.494 1.00 0.00 N ATOM 0 H ARG A 49 7.100 -12.915 3.460 1.00 0.00 H new ATOM 0 HA ARG A 49 9.160 -14.504 2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.206 -14.370 4.985 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.476 -15.434 4.412 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.596 -12.412 4.128 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.242 -13.271 5.513 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.975 -14.230 4.301 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.074 -14.234 2.798 1.00 0.00 H new ATOM 0 HE ARG A 49 11.447 -11.532 3.329 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.531 -14.365 3.025 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.906 -13.432 2.425 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.217 -10.341 2.557 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.730 -11.165 2.162 1.00 0.00 H new ATOM 689 N ASP A 50 6.406 -15.760 3.450 1.00 0.00 N ATOM 690 CA ASP A 50 5.478 -16.882 3.383 1.00 0.00 C ATOM 691 C ASP A 50 4.066 -16.402 3.063 1.00 0.00 C ATOM 692 O ASP A 50 3.084 -17.072 3.381 1.00 0.00 O ATOM 693 CB ASP A 50 5.480 -17.653 4.704 1.00 0.00 C ATOM 694 CG ASP A 50 5.172 -19.126 4.516 1.00 0.00 C ATOM 695 OD1 ASP A 50 4.172 -19.441 3.837 1.00 0.00 O ATOM 696 OD2 ASP A 50 5.932 -19.963 5.047 1.00 0.00 O ATOM 0 H ASP A 50 6.155 -15.046 4.134 1.00 0.00 H new ATOM 0 HA ASP A 50 5.807 -17.545 2.583 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.454 -17.547 5.182 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.745 -17.214 5.378 1.00 0.00 H new ATOM 701 N ALA A 51 3.972 -15.236 2.432 1.00 0.00 N ATOM 702 CA ALA A 51 2.681 -14.666 2.068 1.00 0.00 C ATOM 703 C ALA A 51 2.238 -15.145 0.689 1.00 0.00 C ATOM 704 O ALA A 51 1.129 -14.851 0.246 1.00 0.00 O ATOM 705 CB ALA A 51 2.745 -13.147 2.105 1.00 0.00 C ATOM 0 H ALA A 51 4.775 -14.668 2.162 1.00 0.00 H new ATOM 0 HA ALA A 51 1.944 -15.005 2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.774 -12.735 1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.008 -12.818 3.110 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.499 -12.797 1.400 1.00 0.00 H new ATOM 711 N GLY A 52 3.114 -15.885 0.015 1.00 0.00 N ATOM 712 CA GLY A 52 2.795 -16.392 -1.306 1.00 0.00 C ATOM 713 C GLY A 52 2.200 -15.328 -2.207 1.00 0.00 C ATOM 714 O GLY A 52 2.544 -14.151 -2.100 1.00 0.00 O ATOM 0 H GLY A 52 4.039 -16.142 0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.699 -16.790 -1.767 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.093 -17.220 -1.214 1.00 0.00 H new ATOM 718 N GLU A 53 1.305 -15.742 -3.099 1.00 0.00 N ATOM 719 CA GLU A 53 0.663 -14.815 -4.024 1.00 0.00 C ATOM 720 C GLU A 53 -0.736 -14.445 -3.539 1.00 0.00 C ATOM 721 O GLU A 53 -1.541 -15.314 -3.210 1.00 0.00 O ATOM 722 CB GLU A 53 0.584 -15.429 -5.423 1.00 0.00 C ATOM 723 CG GLU A 53 0.643 -14.403 -6.542 1.00 0.00 C ATOM 724 CD GLU A 53 -0.114 -14.844 -7.779 1.00 0.00 C ATOM 725 OE1 GLU A 53 0.466 -15.590 -8.596 1.00 0.00 O ATOM 726 OE2 GLU A 53 -1.288 -14.444 -7.930 1.00 0.00 O ATOM 0 H GLU A 53 1.008 -16.713 -3.201 1.00 0.00 H new ATOM 0 HA GLU A 53 1.266 -13.908 -4.067 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.404 -16.137 -5.547 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.343 -15.996 -5.510 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.231 -13.459 -6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.684 -14.217 -6.805 1.00 0.00 H new ATOM 733 N GLY A 54 -1.016 -13.146 -3.498 1.00 0.00 N ATOM 734 CA GLY A 54 -2.317 -12.682 -3.052 1.00 0.00 C ATOM 735 C GLY A 54 -2.633 -11.283 -3.542 1.00 0.00 C ATOM 736 O GLY A 54 -1.744 -10.437 -3.644 1.00 0.00 O ATOM 0 H GLY A 54 -0.366 -12.407 -3.765 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.085 -13.370 -3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.351 -12.698 -1.963 1.00 0.00 H new ATOM 740 N LEU A 55 -3.902 -11.037 -3.848 1.00 0.00 N ATOM 741 CA LEU A 55 -4.334 -9.731 -4.332 1.00 0.00 C ATOM 742 C LEU A 55 -3.863 -8.621 -3.397 1.00 0.00 C ATOM 743 O LEU A 55 -4.335 -8.506 -2.266 1.00 0.00 O ATOM 744 CB LEU A 55 -5.857 -9.691 -4.462 1.00 0.00 C ATOM 745 CG LEU A 55 -6.418 -8.692 -5.476 1.00 0.00 C ATOM 746 CD1 LEU A 55 -7.798 -9.127 -5.945 1.00 0.00 C ATOM 747 CD2 LEU A 55 -6.473 -7.296 -4.874 1.00 0.00 C ATOM 0 H LEU A 55 -4.650 -11.726 -3.769 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.888 -9.569 -5.313 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.205 -10.688 -4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.279 -9.461 -3.484 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.754 -8.668 -6.340 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.182 -8.405 -6.666 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.730 -10.108 -6.415 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.473 -9.180 -5.091 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.874 -6.598 -5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.115 -7.305 -3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.469 -6.983 -4.588 1.00 0.00 H new ATOM 759 N LEU A 56 -2.931 -7.805 -3.879 1.00 0.00 N ATOM 760 CA LEU A 56 -2.397 -6.702 -3.087 1.00 0.00 C ATOM 761 C LEU A 56 -3.188 -5.421 -3.335 1.00 0.00 C ATOM 762 O LEU A 56 -3.636 -5.163 -4.452 1.00 0.00 O ATOM 763 CB LEU A 56 -0.922 -6.477 -3.420 1.00 0.00 C ATOM 764 CG LEU A 56 -0.235 -5.328 -2.681 1.00 0.00 C ATOM 765 CD1 LEU A 56 0.115 -5.741 -1.260 1.00 0.00 C ATOM 766 CD2 LEU A 56 1.013 -4.882 -3.430 1.00 0.00 C ATOM 0 H LEU A 56 -2.530 -7.886 -4.813 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.489 -6.965 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.378 -7.397 -3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.835 -6.297 -4.491 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.927 -4.487 -2.634 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.603 -4.911 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.795 -6.011 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.789 -6.598 -1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.489 -4.064 -2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.708 -5.718 -3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.737 -4.545 -4.429 1.00 0.00 H new ATOM 778 N ALA A 57 -3.354 -4.622 -2.286 1.00 0.00 N ATOM 779 CA ALA A 57 -4.086 -3.366 -2.392 1.00 0.00 C ATOM 780 C ALA A 57 -3.519 -2.318 -1.440 1.00 0.00 C ATOM 781 O ALA A 57 -3.157 -2.628 -0.304 1.00 0.00 O ATOM 782 CB ALA A 57 -5.564 -3.592 -2.111 1.00 0.00 C ATOM 0 H ALA A 57 -2.992 -4.822 -1.354 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.973 -2.993 -3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.099 -2.646 -2.194 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.967 -4.301 -2.834 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.686 -3.991 -1.104 1.00 0.00 H new ATOM 788 N VAL A 58 -3.443 -1.077 -1.910 1.00 0.00 N ATOM 789 CA VAL A 58 -2.920 0.016 -1.100 1.00 0.00 C ATOM 790 C VAL A 58 -3.975 1.097 -0.889 1.00 0.00 C ATOM 791 O VAL A 58 -4.301 1.846 -1.809 1.00 0.00 O ATOM 792 CB VAL A 58 -1.675 0.649 -1.749 1.00 0.00 C ATOM 793 CG1 VAL A 58 -1.172 1.817 -0.913 1.00 0.00 C ATOM 794 CG2 VAL A 58 -0.583 -0.393 -1.934 1.00 0.00 C ATOM 0 H VAL A 58 -3.737 -0.804 -2.848 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.642 -0.409 -0.136 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.953 1.030 -2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.292 2.252 -1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.954 2.573 -0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.910 1.464 0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.289 0.072 -2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.305 -0.805 -0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.949 -1.193 -2.577 1.00 0.00 H new ATOM 804 N GLN A 59 -4.503 1.171 0.329 1.00 0.00 N ATOM 805 CA GLN A 59 -5.521 2.161 0.660 1.00 0.00 C ATOM 806 C GLN A 59 -4.946 3.256 1.552 1.00 0.00 C ATOM 807 O GLN A 59 -4.688 3.034 2.736 1.00 0.00 O ATOM 808 CB GLN A 59 -6.707 1.490 1.355 1.00 0.00 C ATOM 809 CG GLN A 59 -7.491 0.553 0.451 1.00 0.00 C ATOM 810 CD GLN A 59 -8.898 0.297 0.956 1.00 0.00 C ATOM 811 OE1 GLN A 59 -9.469 1.114 1.679 1.00 0.00 O ATOM 812 NE2 GLN A 59 -9.465 -0.843 0.577 1.00 0.00 N ATOM 0 H GLN A 59 -4.243 0.558 1.102 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.864 2.618 -0.268 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -6.343 0.930 2.217 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.378 2.260 1.735 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.541 0.978 -0.551 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.960 -0.395 0.369 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.955 -1.491 -0.023 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.410 -1.070 0.886 1.00 0.00 H new ATOM 821 N ILE A 60 -4.747 4.437 0.977 1.00 0.00 N ATOM 822 CA ILE A 60 -4.203 5.566 1.722 1.00 0.00 C ATOM 823 C ILE A 60 -5.268 6.630 1.964 1.00 0.00 C ATOM 824 O ILE A 60 -5.983 7.029 1.044 1.00 0.00 O ATOM 825 CB ILE A 60 -3.013 6.206 0.983 1.00 0.00 C ATOM 826 CG1 ILE A 60 -1.893 5.182 0.790 1.00 0.00 C ATOM 827 CG2 ILE A 60 -2.503 7.418 1.749 1.00 0.00 C ATOM 828 CD1 ILE A 60 -0.833 5.623 -0.196 1.00 0.00 C ATOM 0 H ILE A 60 -4.954 4.637 -0.002 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.859 5.176 2.680 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.351 6.537 0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.422 4.985 1.753 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.326 4.242 0.449 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.662 7.859 1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.302 8.154 1.839 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.179 7.110 2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.071 4.848 -0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.291 5.792 -1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.372 6.547 0.154 1.00 0.00 H new ATOM 840 N THR A 61 -5.369 7.087 3.208 1.00 0.00 N ATOM 841 CA THR A 61 -6.346 8.105 3.572 1.00 0.00 C ATOM 842 C THR A 61 -5.701 9.219 4.388 1.00 0.00 C ATOM 843 O THR A 61 -4.557 9.099 4.826 1.00 0.00 O ATOM 844 CB THR A 61 -7.512 7.502 4.378 1.00 0.00 C ATOM 845 OG1 THR A 61 -7.018 6.510 5.285 1.00 0.00 O ATOM 846 CG2 THR A 61 -8.546 6.880 3.452 1.00 0.00 C ATOM 0 H THR A 61 -4.785 6.768 3.981 1.00 0.00 H new ATOM 0 HA THR A 61 -6.734 8.518 2.641 1.00 0.00 H new ATOM 0 HB THR A 61 -7.989 8.304 4.941 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.765 6.132 5.795 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.359 6.461 4.044 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.941 7.644 2.782 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.080 6.089 2.865 1.00 0.00 H new ATOM 854 N ASP A 62 -6.443 10.303 4.590 1.00 0.00 N ATOM 855 CA ASP A 62 -5.944 11.439 5.356 1.00 0.00 C ATOM 856 C ASP A 62 -6.561 11.467 6.750 1.00 0.00 C ATOM 857 O ASP A 62 -7.296 10.557 7.132 1.00 0.00 O ATOM 858 CB ASP A 62 -6.246 12.747 4.624 1.00 0.00 C ATOM 859 CG ASP A 62 -7.578 13.345 5.032 1.00 0.00 C ATOM 860 OD1 ASP A 62 -8.619 12.702 4.782 1.00 0.00 O ATOM 861 OD2 ASP A 62 -7.580 14.455 5.603 1.00 0.00 O ATOM 0 H ASP A 62 -7.392 10.419 4.234 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.864 11.331 5.459 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.451 13.465 4.827 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.246 12.567 3.549 1.00 0.00 H new ATOM 866 N GLN A 63 -6.256 12.518 7.506 1.00 0.00 N ATOM 867 CA GLN A 63 -6.780 12.663 8.859 1.00 0.00 C ATOM 868 C GLN A 63 -8.303 12.585 8.864 1.00 0.00 C ATOM 869 O GLN A 63 -8.902 12.044 9.792 1.00 0.00 O ATOM 870 CB GLN A 63 -6.323 13.991 9.465 1.00 0.00 C ATOM 871 CG GLN A 63 -6.875 15.211 8.745 1.00 0.00 C ATOM 872 CD GLN A 63 -6.566 16.506 9.470 1.00 0.00 C ATOM 873 OE1 GLN A 63 -7.471 17.251 9.846 1.00 0.00 O ATOM 874 NE2 GLN A 63 -5.282 16.781 9.670 1.00 0.00 N ATOM 0 H GLN A 63 -5.649 13.280 7.204 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.391 11.843 9.463 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.628 14.028 10.511 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.234 14.032 9.449 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.458 15.254 7.739 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.955 15.108 8.638 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.565 16.135 9.341 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.013 17.639 10.152 1.00 0.00 H new ATOM 883 N GLU A 64 -8.922 13.130 7.821 1.00 0.00 N ATOM 884 CA GLU A 64 -10.376 13.122 7.707 1.00 0.00 C ATOM 885 C GLU A 64 -10.870 11.799 7.130 1.00 0.00 C ATOM 886 O GLU A 64 -12.005 11.390 7.369 1.00 0.00 O ATOM 887 CB GLU A 64 -10.847 14.283 6.828 1.00 0.00 C ATOM 888 CG GLU A 64 -12.341 14.272 6.555 1.00 0.00 C ATOM 889 CD GLU A 64 -13.164 14.520 7.804 1.00 0.00 C ATOM 890 OE1 GLU A 64 -13.121 13.674 8.722 1.00 0.00 O ATOM 891 OE2 GLU A 64 -13.851 15.562 7.864 1.00 0.00 O ATOM 0 H GLU A 64 -8.440 13.582 7.044 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.794 13.240 8.707 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.581 15.224 7.310 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.312 14.249 5.879 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.576 15.034 5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.621 13.310 6.125 1.00 0.00 H new ATOM 898 N GLY A 65 -10.007 11.135 6.366 1.00 0.00 N ATOM 899 CA GLY A 65 -10.374 9.865 5.765 1.00 0.00 C ATOM 900 C GLY A 65 -10.776 10.007 4.310 1.00 0.00 C ATOM 901 O GLY A 65 -11.767 9.423 3.872 1.00 0.00 O ATOM 0 H GLY A 65 -9.062 11.453 6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.534 9.174 5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.199 9.426 6.326 1.00 0.00 H new ATOM 905 N LYS A 66 -10.006 10.787 3.558 1.00 0.00 N ATOM 906 CA LYS A 66 -10.287 11.005 2.144 1.00 0.00 C ATOM 907 C LYS A 66 -9.341 10.188 1.270 1.00 0.00 C ATOM 908 O LYS A 66 -8.251 9.797 1.689 1.00 0.00 O ATOM 909 CB LYS A 66 -10.160 12.491 1.802 1.00 0.00 C ATOM 910 CG LYS A 66 -11.374 13.313 2.200 1.00 0.00 C ATOM 911 CD LYS A 66 -12.458 13.257 1.136 1.00 0.00 C ATOM 912 CE LYS A 66 -13.665 14.096 1.526 1.00 0.00 C ATOM 913 NZ LYS A 66 -14.626 13.329 2.366 1.00 0.00 N ATOM 0 H LYS A 66 -9.182 11.279 3.905 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.308 10.679 1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.279 12.896 2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.997 12.596 0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.771 12.943 3.145 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -11.076 14.349 2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.057 13.613 0.187 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.766 12.223 0.983 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.332 14.980 2.070 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -14.169 14.447 0.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.434 13.936 2.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -14.963 12.499 1.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.152 13.016 3.237 1.00 0.00 H new ATOM 927 N PRO A 67 -9.764 9.925 0.024 1.00 0.00 N ATOM 928 CA PRO A 67 -8.968 9.155 -0.936 1.00 0.00 C ATOM 929 C PRO A 67 -7.735 9.916 -1.411 1.00 0.00 C ATOM 930 O PRO A 67 -7.819 11.090 -1.774 1.00 0.00 O ATOM 931 CB PRO A 67 -9.937 8.928 -2.099 1.00 0.00 C ATOM 932 CG PRO A 67 -10.908 10.055 -2.008 1.00 0.00 C ATOM 933 CD PRO A 67 -11.051 10.360 -0.543 1.00 0.00 C ATOM 0 HA PRO A 67 -8.582 8.234 -0.499 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.415 8.931 -3.056 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.439 7.965 -2.013 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.547 10.926 -2.555 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.868 9.780 -2.445 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.228 11.421 -0.369 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.888 9.820 -0.100 1.00 0.00 H new ATOM 941 N LYS A 68 -6.591 9.241 -1.406 1.00 0.00 N ATOM 942 CA LYS A 68 -5.340 9.853 -1.838 1.00 0.00 C ATOM 943 C LYS A 68 -4.778 9.137 -3.062 1.00 0.00 C ATOM 944 O LYS A 68 -5.112 7.982 -3.324 1.00 0.00 O ATOM 945 CB LYS A 68 -4.315 9.824 -0.701 1.00 0.00 C ATOM 946 CG LYS A 68 -4.438 10.994 0.259 1.00 0.00 C ATOM 947 CD LYS A 68 -3.633 12.192 -0.215 1.00 0.00 C ATOM 948 CE LYS A 68 -4.242 13.499 0.267 1.00 0.00 C ATOM 949 NZ LYS A 68 -3.267 14.623 0.204 1.00 0.00 N ATOM 0 H LYS A 68 -6.504 8.270 -1.107 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.545 10.889 -2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.429 8.894 -0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.312 9.819 -1.127 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.486 11.275 0.358 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.094 10.692 1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.609 12.111 0.149 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.585 12.192 -1.304 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.113 13.740 -0.342 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.593 13.380 1.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.769 15.525 0.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.562 14.514 0.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.788 14.616 -0.719 1.00 0.00 H new ATOM 963 N ARG A 69 -3.923 9.831 -3.807 1.00 0.00 N ATOM 964 CA ARG A 69 -3.315 9.261 -5.003 1.00 0.00 C ATOM 965 C ARG A 69 -2.157 8.337 -4.636 1.00 0.00 C ATOM 966 O ARG A 69 -1.189 8.759 -4.005 1.00 0.00 O ATOM 967 CB ARG A 69 -2.820 10.373 -5.929 1.00 0.00 C ATOM 968 CG ARG A 69 -2.790 9.975 -7.396 1.00 0.00 C ATOM 969 CD ARG A 69 -2.659 11.191 -8.300 1.00 0.00 C ATOM 970 NE ARG A 69 -3.767 12.126 -8.123 1.00 0.00 N ATOM 971 CZ ARG A 69 -3.874 13.272 -8.787 1.00 0.00 C ATOM 972 NH1 ARG A 69 -2.947 13.621 -9.667 1.00 0.00 N ATOM 973 NH2 ARG A 69 -4.912 14.070 -8.570 1.00 0.00 N ATOM 0 H ARG A 69 -3.636 10.788 -3.603 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.074 8.676 -5.523 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.462 11.246 -5.811 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -1.818 10.671 -5.621 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.955 9.297 -7.573 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.701 9.431 -7.645 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.718 11.700 -8.089 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.620 10.867 -9.340 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.498 11.886 -7.453 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.148 13.009 -9.836 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.032 14.501 -10.175 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.627 13.804 -7.894 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.994 14.950 -9.080 1.00 0.00 H new ATOM 987 N ALA A 70 -2.264 7.074 -5.037 1.00 0.00 N ATOM 988 CA ALA A 70 -1.226 6.091 -4.753 1.00 0.00 C ATOM 989 C ALA A 70 -0.815 5.345 -6.017 1.00 0.00 C ATOM 990 O ALA A 70 -1.663 4.849 -6.760 1.00 0.00 O ATOM 991 CB ALA A 70 -1.704 5.111 -3.691 1.00 0.00 C ATOM 0 H ALA A 70 -3.060 6.708 -5.560 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.352 6.621 -4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.919 4.382 -3.489 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.941 5.653 -2.776 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.595 4.594 -4.047 1.00 0.00 H new ATOM 997 N ILE A 71 0.490 5.271 -6.257 1.00 0.00 N ATOM 998 CA ILE A 71 1.012 4.585 -7.432 1.00 0.00 C ATOM 999 C ILE A 71 1.384 3.142 -7.106 1.00 0.00 C ATOM 1000 O ILE A 71 1.891 2.849 -6.024 1.00 0.00 O ATOM 1001 CB ILE A 71 2.249 5.305 -8.001 1.00 0.00 C ATOM 1002 CG1 ILE A 71 1.899 6.746 -8.377 1.00 0.00 C ATOM 1003 CG2 ILE A 71 2.791 4.554 -9.207 1.00 0.00 C ATOM 1004 CD1 ILE A 71 3.081 7.689 -8.325 1.00 0.00 C ATOM 0 H ILE A 71 1.205 5.678 -5.653 1.00 0.00 H new ATOM 0 HA ILE A 71 0.220 4.594 -8.180 1.00 0.00 H new ATOM 0 HB ILE A 71 3.023 5.327 -7.234 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.479 6.759 -9.383 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.124 7.111 -7.703 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.665 5.075 -9.598 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.074 3.544 -8.910 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.023 4.503 -9.979 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.759 8.692 -8.603 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.488 7.706 -7.314 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.849 7.349 -9.020 1.00 0.00 H new ATOM 1016 N VAL A 72 1.128 2.243 -8.052 1.00 0.00 N ATOM 1017 CA VAL A 72 1.437 0.830 -7.868 1.00 0.00 C ATOM 1018 C VAL A 72 2.554 0.386 -8.805 1.00 0.00 C ATOM 1019 O VAL A 72 2.422 0.465 -10.027 1.00 0.00 O ATOM 1020 CB VAL A 72 0.198 -0.052 -8.109 1.00 0.00 C ATOM 1021 CG1 VAL A 72 0.549 -1.523 -7.944 1.00 0.00 C ATOM 1022 CG2 VAL A 72 -0.929 0.344 -7.167 1.00 0.00 C ATOM 0 H VAL A 72 0.707 2.469 -8.953 1.00 0.00 H new ATOM 0 HA VAL A 72 1.763 0.709 -6.835 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.143 0.103 -9.133 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.339 -2.131 -8.118 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.322 -1.795 -8.663 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.916 -1.698 -6.933 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.797 -0.290 -7.351 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.601 0.219 -6.135 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.198 1.386 -7.339 1.00 0.00 H new ATOM 1032 N HIS A 73 3.655 -0.083 -8.226 1.00 0.00 N ATOM 1033 CA HIS A 73 4.796 -0.542 -9.010 1.00 0.00 C ATOM 1034 C HIS A 73 4.888 -2.065 -8.995 1.00 0.00 C ATOM 1035 O HIS A 73 4.663 -2.700 -7.964 1.00 0.00 O ATOM 1036 CB HIS A 73 6.091 0.064 -8.468 1.00 0.00 C ATOM 1037 CG HIS A 73 7.145 0.258 -9.514 1.00 0.00 C ATOM 1038 ND1 HIS A 73 7.474 -0.710 -10.439 1.00 0.00 N ATOM 1039 CD2 HIS A 73 7.944 1.318 -9.780 1.00 0.00 C ATOM 1040 CE1 HIS A 73 8.431 -0.255 -11.228 1.00 0.00 C ATOM 1041 NE2 HIS A 73 8.734 0.974 -10.849 1.00 0.00 N ATOM 0 H HIS A 73 3.781 -0.155 -7.216 1.00 0.00 H new ATOM 0 HA HIS A 73 4.653 -0.214 -10.040 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.867 1.026 -8.007 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.484 -0.582 -7.683 1.00 0.00 H new ATOM 0 HD2 HIS A 73 7.957 2.259 -9.250 1.00 0.00 H new ATOM 0 HE1 HIS A 73 8.888 -0.796 -12.044 1.00 0.00 H new ATOM 0 HE2 HIS A 73 9.440 1.570 -11.280 1.00 0.00 H new ATOM 1049 N ASP A 74 5.219 -2.644 -10.143 1.00 0.00 N ATOM 1050 CA ASP A 74 5.341 -4.092 -10.262 1.00 0.00 C ATOM 1051 C ASP A 74 6.787 -4.495 -10.538 1.00 0.00 C ATOM 1052 O ASP A 74 7.367 -4.106 -11.550 1.00 0.00 O ATOM 1053 CB ASP A 74 4.432 -4.612 -11.377 1.00 0.00 C ATOM 1054 CG ASP A 74 2.973 -4.280 -11.137 1.00 0.00 C ATOM 1055 OD1 ASP A 74 2.482 -4.539 -10.018 1.00 0.00 O ATOM 1056 OD2 ASP A 74 2.322 -3.760 -12.067 1.00 0.00 O ATOM 0 H ASP A 74 5.408 -2.133 -11.005 1.00 0.00 H new ATOM 0 HA ASP A 74 5.033 -4.537 -9.316 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.747 -4.183 -12.328 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.547 -5.693 -11.461 1.00 0.00 H new ATOM 1061 N ASN A 75 7.362 -5.276 -9.629 1.00 0.00 N ATOM 1062 CA ASN A 75 8.740 -5.730 -9.773 1.00 0.00 C ATOM 1063 C ASN A 75 8.789 -7.182 -10.239 1.00 0.00 C ATOM 1064 O ASN A 75 9.723 -7.594 -10.927 1.00 0.00 O ATOM 1065 CB ASN A 75 9.489 -5.583 -8.447 1.00 0.00 C ATOM 1066 CG ASN A 75 9.181 -4.271 -7.752 1.00 0.00 C ATOM 1067 OD1 ASN A 75 9.347 -3.196 -8.328 1.00 0.00 O ATOM 1068 ND2 ASN A 75 8.730 -4.354 -6.506 1.00 0.00 N ATOM 0 H ASN A 75 6.895 -5.607 -8.785 1.00 0.00 H new ATOM 0 HA ASN A 75 9.224 -5.109 -10.527 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.224 -6.411 -7.789 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.562 -5.652 -8.629 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.506 -3.505 -5.987 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.608 -5.267 -6.068 1.00 0.00 H new ATOM 1075 N LYS A 76 7.775 -7.953 -9.860 1.00 0.00 N ATOM 1076 CA LYS A 76 7.700 -9.359 -10.240 1.00 0.00 C ATOM 1077 C LYS A 76 8.891 -10.136 -9.689 1.00 0.00 C ATOM 1078 O LYS A 76 9.306 -11.143 -10.263 1.00 0.00 O ATOM 1079 CB LYS A 76 7.648 -9.495 -11.763 1.00 0.00 C ATOM 1080 CG LYS A 76 6.445 -8.816 -12.395 1.00 0.00 C ATOM 1081 CD LYS A 76 5.148 -9.505 -12.006 1.00 0.00 C ATOM 1082 CE LYS A 76 4.074 -9.310 -13.065 1.00 0.00 C ATOM 1083 NZ LYS A 76 3.352 -8.019 -12.891 1.00 0.00 N ATOM 0 H LYS A 76 6.994 -7.628 -9.290 1.00 0.00 H new ATOM 0 HA LYS A 76 6.788 -9.777 -9.813 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.558 -9.072 -12.188 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.636 -10.553 -12.024 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.411 -7.772 -12.085 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.551 -8.823 -13.480 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.330 -10.570 -11.862 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.797 -9.110 -11.053 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.530 -9.341 -14.055 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.362 -10.134 -13.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.628 -7.923 -13.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.896 -8.000 -11.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.027 -7.231 -12.963 1.00 0.00 H new ATOM 1097 N ASP A 77 9.435 -9.663 -8.573 1.00 0.00 N ATOM 1098 CA ASP A 77 10.577 -10.316 -7.944 1.00 0.00 C ATOM 1099 C ASP A 77 10.255 -10.703 -6.504 1.00 0.00 C ATOM 1100 O ASP A 77 11.145 -10.778 -5.657 1.00 0.00 O ATOM 1101 CB ASP A 77 11.799 -9.396 -7.976 1.00 0.00 C ATOM 1102 CG ASP A 77 13.056 -10.087 -7.486 1.00 0.00 C ATOM 1103 OD1 ASP A 77 13.333 -11.213 -7.949 1.00 0.00 O ATOM 1104 OD2 ASP A 77 13.763 -9.502 -6.639 1.00 0.00 O ATOM 0 H ASP A 77 9.104 -8.830 -8.086 1.00 0.00 H new ATOM 0 HA ASP A 77 10.800 -11.224 -8.505 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.956 -9.041 -8.994 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.606 -8.519 -7.359 1.00 0.00 H new ATOM 1109 N GLY A 78 8.977 -10.949 -6.233 1.00 0.00 N ATOM 1110 CA GLY A 78 8.560 -11.324 -4.895 1.00 0.00 C ATOM 1111 C GLY A 78 8.365 -10.124 -3.990 1.00 0.00 C ATOM 1112 O GLY A 78 8.143 -10.272 -2.788 1.00 0.00 O ATOM 0 H GLY A 78 8.222 -10.895 -6.917 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.628 -11.887 -4.953 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.306 -11.987 -4.458 1.00 0.00 H new ATOM 1116 N THR A 79 8.449 -8.929 -4.568 1.00 0.00 N ATOM 1117 CA THR A 79 8.282 -7.698 -3.806 1.00 0.00 C ATOM 1118 C THR A 79 7.346 -6.731 -4.521 1.00 0.00 C ATOM 1119 O THR A 79 6.971 -6.952 -5.673 1.00 0.00 O ATOM 1120 CB THR A 79 9.634 -7.001 -3.563 1.00 0.00 C ATOM 1121 OG1 THR A 79 10.342 -6.860 -4.799 1.00 0.00 O ATOM 1122 CG2 THR A 79 10.481 -7.791 -2.576 1.00 0.00 C ATOM 0 H THR A 79 8.632 -8.788 -5.562 1.00 0.00 H new ATOM 0 HA THR A 79 7.847 -7.977 -2.846 1.00 0.00 H new ATOM 0 HB THR A 79 9.438 -6.015 -3.142 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.199 -6.414 -4.636 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.431 -7.279 -2.420 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.952 -7.872 -1.626 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.667 -8.789 -2.974 1.00 0.00 H new ATOM 1130 N TYR A 80 6.972 -5.659 -3.831 1.00 0.00 N ATOM 1131 CA TYR A 80 6.077 -4.658 -4.401 1.00 0.00 C ATOM 1132 C TYR A 80 6.377 -3.274 -3.833 1.00 0.00 C ATOM 1133 O TYR A 80 6.592 -3.116 -2.632 1.00 0.00 O ATOM 1134 CB TYR A 80 4.620 -5.030 -4.124 1.00 0.00 C ATOM 1135 CG TYR A 80 4.227 -6.386 -4.667 1.00 0.00 C ATOM 1136 CD1 TYR A 80 3.797 -6.532 -5.980 1.00 0.00 C ATOM 1137 CD2 TYR A 80 4.286 -7.520 -3.867 1.00 0.00 C ATOM 1138 CE1 TYR A 80 3.437 -7.768 -6.480 1.00 0.00 C ATOM 1139 CE2 TYR A 80 3.929 -8.760 -4.359 1.00 0.00 C ATOM 1140 CZ TYR A 80 3.505 -8.879 -5.666 1.00 0.00 C ATOM 1141 OH TYR A 80 3.147 -10.113 -6.160 1.00 0.00 O ATOM 0 H TYR A 80 7.274 -5.461 -2.877 1.00 0.00 H new ATOM 0 HA TYR A 80 6.240 -4.632 -5.478 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.448 -5.015 -3.048 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.971 -4.271 -4.561 1.00 0.00 H new ATOM 0 HD1 TYR A 80 3.743 -5.664 -6.621 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.617 -7.430 -2.843 1.00 0.00 H new ATOM 0 HE1 TYR A 80 3.104 -7.864 -7.503 1.00 0.00 H new ATOM 0 HE2 TYR A 80 3.982 -9.632 -3.724 1.00 0.00 H new ATOM 0 HH TYR A 80 3.253 -10.789 -5.459 1.00 0.00 H new ATOM 1151 N ALA A 81 6.389 -2.273 -4.708 1.00 0.00 N ATOM 1152 CA ALA A 81 6.659 -0.902 -4.296 1.00 0.00 C ATOM 1153 C ALA A 81 5.429 -0.020 -4.483 1.00 0.00 C ATOM 1154 O ALA A 81 4.674 -0.185 -5.441 1.00 0.00 O ATOM 1155 CB ALA A 81 7.838 -0.339 -5.075 1.00 0.00 C ATOM 0 H ALA A 81 6.215 -2.387 -5.707 1.00 0.00 H new ATOM 0 HA ALA A 81 6.910 -0.911 -3.235 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.028 0.686 -4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.722 -0.948 -4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.609 -0.351 -6.141 1.00 0.00 H new ATOM 1161 N VAL A 82 5.234 0.918 -3.562 1.00 0.00 N ATOM 1162 CA VAL A 82 4.095 1.827 -3.625 1.00 0.00 C ATOM 1163 C VAL A 82 4.522 3.263 -3.345 1.00 0.00 C ATOM 1164 O VAL A 82 5.043 3.571 -2.272 1.00 0.00 O ATOM 1165 CB VAL A 82 2.998 1.424 -2.622 1.00 0.00 C ATOM 1166 CG1 VAL A 82 1.797 2.348 -2.745 1.00 0.00 C ATOM 1167 CG2 VAL A 82 2.590 -0.026 -2.834 1.00 0.00 C ATOM 0 H VAL A 82 5.850 1.069 -2.763 1.00 0.00 H new ATOM 0 HA VAL A 82 3.693 1.761 -4.636 1.00 0.00 H new ATOM 0 HB VAL A 82 3.398 1.521 -1.613 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.032 2.048 -2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.104 3.373 -2.540 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.392 2.286 -3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.814 -0.294 -2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.207 -0.152 -3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.456 -0.672 -2.690 1.00 0.00 H new ATOM 1177 N THR A 83 4.298 4.142 -4.318 1.00 0.00 N ATOM 1178 CA THR A 83 4.660 5.547 -4.177 1.00 0.00 C ATOM 1179 C THR A 83 3.444 6.394 -3.819 1.00 0.00 C ATOM 1180 O THR A 83 2.342 6.155 -4.311 1.00 0.00 O ATOM 1181 CB THR A 83 5.292 6.096 -5.469 1.00 0.00 C ATOM 1182 OG1 THR A 83 6.323 5.212 -5.925 1.00 0.00 O ATOM 1183 CG2 THR A 83 5.873 7.484 -5.240 1.00 0.00 C ATOM 0 H THR A 83 3.868 3.905 -5.212 1.00 0.00 H new ATOM 0 HA THR A 83 5.391 5.606 -3.371 1.00 0.00 H new ATOM 0 HB THR A 83 4.512 6.166 -6.227 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.719 5.568 -6.748 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.314 7.851 -6.167 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.081 8.162 -4.921 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.641 7.434 -4.468 1.00 0.00 H new ATOM 1191 N TYR A 84 3.653 7.386 -2.960 1.00 0.00 N ATOM 1192 CA TYR A 84 2.573 8.269 -2.535 1.00 0.00 C ATOM 1193 C TYR A 84 3.106 9.657 -2.194 1.00 0.00 C ATOM 1194 O TYR A 84 4.141 9.793 -1.540 1.00 0.00 O ATOM 1195 CB TYR A 84 1.848 7.677 -1.325 1.00 0.00 C ATOM 1196 CG TYR A 84 2.571 7.903 -0.016 1.00 0.00 C ATOM 1197 CD1 TYR A 84 2.420 9.093 0.686 1.00 0.00 C ATOM 1198 CD2 TYR A 84 3.404 6.929 0.518 1.00 0.00 C ATOM 1199 CE1 TYR A 84 3.078 9.305 1.882 1.00 0.00 C ATOM 1200 CE2 TYR A 84 4.066 7.131 1.714 1.00 0.00 C ATOM 1201 CZ TYR A 84 3.899 8.321 2.392 1.00 0.00 C ATOM 1202 OH TYR A 84 4.558 8.527 3.583 1.00 0.00 O ATOM 0 H TYR A 84 4.560 7.599 -2.545 1.00 0.00 H new ATOM 0 HA TYR A 84 1.869 8.363 -3.362 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.851 8.113 -1.260 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.718 6.606 -1.478 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.777 9.865 0.290 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.537 5.997 -0.011 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.950 10.236 2.415 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.710 6.362 2.115 1.00 0.00 H new ATOM 0 HH TYR A 84 4.766 7.663 3.995 1.00 0.00 H new ATOM 1212 N ILE A 85 2.392 10.684 -2.640 1.00 0.00 N ATOM 1213 CA ILE A 85 2.791 12.062 -2.381 1.00 0.00 C ATOM 1214 C ILE A 85 1.783 12.766 -1.479 1.00 0.00 C ATOM 1215 O ILE A 85 0.732 13.228 -1.923 1.00 0.00 O ATOM 1216 CB ILE A 85 2.938 12.861 -3.690 1.00 0.00 C ATOM 1217 CG1 ILE A 85 3.980 12.206 -4.598 1.00 0.00 C ATOM 1218 CG2 ILE A 85 3.320 14.303 -3.390 1.00 0.00 C ATOM 1219 CD1 ILE A 85 3.764 12.490 -6.068 1.00 0.00 C ATOM 0 H ILE A 85 1.534 10.588 -3.183 1.00 0.00 H new ATOM 0 HA ILE A 85 3.758 12.022 -1.879 1.00 0.00 H new ATOM 0 HB ILE A 85 1.979 12.860 -4.209 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.972 12.555 -4.311 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.963 11.128 -4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.420 14.855 -4.325 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.546 14.765 -2.777 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.268 14.324 -2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.539 11.994 -6.652 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.786 12.115 -6.371 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.810 13.565 -6.242 1.00 0.00 H new ATOM 1231 N PRO A 86 2.110 12.853 -0.181 1.00 0.00 N ATOM 1232 CA PRO A 86 1.248 13.501 0.811 1.00 0.00 C ATOM 1233 C PRO A 86 1.186 15.014 0.625 1.00 0.00 C ATOM 1234 O PRO A 86 2.167 15.719 0.862 1.00 0.00 O ATOM 1235 CB PRO A 86 1.917 13.154 2.143 1.00 0.00 C ATOM 1236 CG PRO A 86 3.347 12.917 1.799 1.00 0.00 C ATOM 1237 CD PRO A 86 3.348 12.324 0.418 1.00 0.00 C ATOM 0 HA PRO A 86 0.215 13.162 0.736 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.812 13.967 2.862 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.467 12.270 2.594 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.914 13.848 1.824 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.813 12.240 2.515 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.229 12.626 -0.148 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.346 11.234 0.448 1.00 0.00 H new ATOM 1245 N ASP A 87 0.028 15.505 0.199 1.00 0.00 N ATOM 1246 CA ASP A 87 -0.162 16.935 -0.018 1.00 0.00 C ATOM 1247 C ASP A 87 -0.550 17.635 1.281 1.00 0.00 C ATOM 1248 O ASP A 87 0.135 18.551 1.734 1.00 0.00 O ATOM 1249 CB ASP A 87 -1.236 17.173 -1.080 1.00 0.00 C ATOM 1250 CG ASP A 87 -1.605 18.638 -1.213 1.00 0.00 C ATOM 1251 OD1 ASP A 87 -0.711 19.447 -1.536 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -2.787 18.975 -0.992 1.00 0.00 O ATOM 0 H ASP A 87 -0.793 14.935 -0.003 1.00 0.00 H new ATOM 0 HA ASP A 87 0.782 17.353 -0.367 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.881 16.802 -2.041 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.127 16.599 -0.827 1.00 0.00 H new ATOM 1257 N LYS A 88 -1.655 17.197 1.876 1.00 0.00 N ATOM 1258 CA LYS A 88 -2.136 17.780 3.123 1.00 0.00 C ATOM 1259 C LYS A 88 -1.458 17.130 4.324 1.00 0.00 C ATOM 1260 O LYS A 88 -1.939 16.128 4.856 1.00 0.00 O ATOM 1261 CB LYS A 88 -3.654 17.621 3.232 1.00 0.00 C ATOM 1262 CG LYS A 88 -4.425 18.411 2.189 1.00 0.00 C ATOM 1263 CD LYS A 88 -5.788 18.837 2.708 1.00 0.00 C ATOM 1264 CE LYS A 88 -6.508 19.733 1.712 1.00 0.00 C ATOM 1265 NZ LYS A 88 -7.757 20.308 2.285 1.00 0.00 N ATOM 0 H LYS A 88 -2.234 16.440 1.514 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.888 18.841 3.119 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.908 16.565 3.137 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.974 17.938 4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.852 19.293 1.902 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -4.549 17.806 1.291 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.394 17.954 2.909 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.670 19.365 3.654 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.844 20.541 1.404 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.749 19.160 0.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -8.218 20.912 1.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -8.402 19.538 2.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -7.524 20.876 3.125 1.00 0.00 H new ATOM 1279 N THR A 89 -0.338 17.705 4.750 1.00 0.00 N ATOM 1280 CA THR A 89 0.406 17.182 5.888 1.00 0.00 C ATOM 1281 C THR A 89 -0.522 16.877 7.058 1.00 0.00 C ATOM 1282 O THR A 89 -1.553 17.526 7.231 1.00 0.00 O ATOM 1283 CB THR A 89 1.491 18.172 6.354 1.00 0.00 C ATOM 1284 OG1 THR A 89 0.885 19.392 6.793 1.00 0.00 O ATOM 1285 CG2 THR A 89 2.475 18.464 5.230 1.00 0.00 C ATOM 0 H THR A 89 0.074 18.535 4.323 1.00 0.00 H new ATOM 0 HA THR A 89 0.884 16.260 5.556 1.00 0.00 H new ATOM 0 HB THR A 89 2.034 17.718 7.183 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.581 20.015 7.089 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.232 19.165 5.582 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.956 17.537 4.918 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.943 18.899 4.384 1.00 0.00 H new ATOM 1293 N GLY A 90 -0.150 15.885 7.861 1.00 0.00 N ATOM 1294 CA GLY A 90 -0.960 15.511 9.005 1.00 0.00 C ATOM 1295 C GLY A 90 -0.974 14.014 9.242 1.00 0.00 C ATOM 1296 O GLY A 90 0.020 13.331 8.997 1.00 0.00 O ATOM 0 H GLY A 90 0.699 15.333 7.739 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.580 16.013 9.895 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -1.981 15.861 8.853 1.00 0.00 H new ATOM 1300 N ARG A 91 -2.103 13.503 9.723 1.00 0.00 N ATOM 1301 CA ARG A 91 -2.241 12.078 9.996 1.00 0.00 C ATOM 1302 C ARG A 91 -2.493 11.299 8.708 1.00 0.00 C ATOM 1303 O ARG A 91 -3.280 11.719 7.861 1.00 0.00 O ATOM 1304 CB ARG A 91 -3.384 11.835 10.984 1.00 0.00 C ATOM 1305 CG ARG A 91 -3.784 10.373 11.104 1.00 0.00 C ATOM 1306 CD ARG A 91 -2.977 9.661 12.179 1.00 0.00 C ATOM 1307 NE ARG A 91 -3.622 9.737 13.487 1.00 0.00 N ATOM 1308 CZ ARG A 91 -2.965 9.629 14.637 1.00 0.00 C ATOM 1309 NH1 ARG A 91 -1.653 9.443 14.640 1.00 0.00 N ATOM 1310 NH2 ARG A 91 -3.622 9.708 15.787 1.00 0.00 N ATOM 0 H ARG A 91 -2.935 14.055 9.932 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.308 11.726 10.436 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.089 12.204 11.966 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.252 12.416 10.673 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.846 10.303 11.339 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.636 9.874 10.146 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.844 8.616 11.900 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.983 10.103 12.239 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.631 9.881 13.520 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.144 9.382 13.758 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.152 9.361 15.524 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -4.632 9.852 15.789 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.117 9.625 16.669 1.00 0.00 H new ATOM 1324 N TYR A 92 -1.818 10.164 8.569 1.00 0.00 N ATOM 1325 CA TYR A 92 -1.966 9.328 7.383 1.00 0.00 C ATOM 1326 C TYR A 92 -2.174 7.866 7.770 1.00 0.00 C ATOM 1327 O TYR A 92 -1.272 7.219 8.300 1.00 0.00 O ATOM 1328 CB TYR A 92 -0.735 9.459 6.484 1.00 0.00 C ATOM 1329 CG TYR A 92 -0.794 10.643 5.546 1.00 0.00 C ATOM 1330 CD1 TYR A 92 -1.666 10.655 4.465 1.00 0.00 C ATOM 1331 CD2 TYR A 92 0.024 11.750 5.741 1.00 0.00 C ATOM 1332 CE1 TYR A 92 -1.723 11.735 3.605 1.00 0.00 C ATOM 1333 CE2 TYR A 92 -0.027 12.834 4.887 1.00 0.00 C ATOM 1334 CZ TYR A 92 -0.902 12.822 3.820 1.00 0.00 C ATOM 1335 OH TYR A 92 -0.955 13.900 2.967 1.00 0.00 O ATOM 0 H TYR A 92 -1.163 9.801 9.262 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.845 9.669 6.836 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.154 9.545 7.109 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -0.625 8.547 5.898 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.311 9.806 4.294 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.711 11.762 6.574 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.407 11.728 2.769 1.00 0.00 H new ATOM 0 HE2 TYR A 92 0.615 13.687 5.053 1.00 0.00 H new ATOM 0 HH TYR A 92 -1.323 14.675 3.441 1.00 0.00 H new ATOM 1345 N MET A 93 -3.370 7.354 7.499 1.00 0.00 N ATOM 1346 CA MET A 93 -3.697 5.969 7.816 1.00 0.00 C ATOM 1347 C MET A 93 -3.660 5.101 6.562 1.00 0.00 C ATOM 1348 O MET A 93 -4.240 5.453 5.535 1.00 0.00 O ATOM 1349 CB MET A 93 -5.079 5.885 8.468 1.00 0.00 C ATOM 1350 CG MET A 93 -5.425 4.497 8.982 1.00 0.00 C ATOM 1351 SD MET A 93 -7.192 4.284 9.271 1.00 0.00 S ATOM 1352 CE MET A 93 -7.459 5.445 10.608 1.00 0.00 C ATOM 0 H MET A 93 -4.128 7.877 7.061 1.00 0.00 H new ATOM 0 HA MET A 93 -2.950 5.597 8.517 1.00 0.00 H new ATOM 0 HB2 MET A 93 -5.124 6.592 9.296 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.833 6.194 7.744 1.00 0.00 H new ATOM 0 HG2 MET A 93 -5.086 3.752 8.262 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.884 4.312 9.910 1.00 0.00 H new ATOM 0 HE1 MET A 93 -8.493 5.378 10.947 1.00 0.00 H new ATOM 0 HE2 MET A 93 -6.790 5.208 11.435 1.00 0.00 H new ATOM 0 HE3 MET A 93 -7.257 6.457 10.257 1.00 0.00 H new ATOM 1362 N ILE A 94 -2.974 3.966 6.654 1.00 0.00 N ATOM 1363 CA ILE A 94 -2.863 3.048 5.527 1.00 0.00 C ATOM 1364 C ILE A 94 -3.325 1.647 5.912 1.00 0.00 C ATOM 1365 O ILE A 94 -2.953 1.125 6.962 1.00 0.00 O ATOM 1366 CB ILE A 94 -1.417 2.974 5.003 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -0.908 4.372 4.645 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -1.338 2.051 3.796 1.00 0.00 C ATOM 1369 CD1 ILE A 94 0.591 4.440 4.459 1.00 0.00 C ATOM 0 H ILE A 94 -2.487 3.661 7.497 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.507 3.436 4.738 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.782 2.567 5.790 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.395 4.703 3.728 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.200 5.069 5.431 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.310 2.009 3.437 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.664 1.051 4.081 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.984 2.431 3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.880 5.460 4.207 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.086 4.140 5.382 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.888 3.769 3.653 1.00 0.00 H new ATOM 1381 N GLY A 95 -4.139 1.041 5.051 1.00 0.00 N ATOM 1382 CA GLY A 95 -4.637 -0.296 5.318 1.00 0.00 C ATOM 1383 C GLY A 95 -4.266 -1.281 4.227 1.00 0.00 C ATOM 1384 O GLY A 95 -4.922 -1.343 3.187 1.00 0.00 O ATOM 0 H GLY A 95 -4.462 1.452 4.175 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.238 -0.646 6.270 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.722 -0.263 5.420 1.00 0.00 H new ATOM 1388 N VAL A 96 -3.211 -2.053 4.464 1.00 0.00 N ATOM 1389 CA VAL A 96 -2.753 -3.040 3.493 1.00 0.00 C ATOM 1390 C VAL A 96 -3.603 -4.304 3.552 1.00 0.00 C ATOM 1391 O VAL A 96 -4.153 -4.649 4.598 1.00 0.00 O ATOM 1392 CB VAL A 96 -1.277 -3.416 3.728 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -0.827 -4.467 2.724 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -0.394 -2.180 3.650 1.00 0.00 C ATOM 0 H VAL A 96 -2.657 -2.014 5.320 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.852 -2.584 2.508 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.183 -3.840 4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.218 -4.720 2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.441 -5.361 2.833 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.935 -4.074 1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.645 -2.464 3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.491 -1.725 2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.702 -1.464 4.412 1.00 0.00 H new ATOM 1404 N THR A 97 -3.707 -4.994 2.420 1.00 0.00 N ATOM 1405 CA THR A 97 -4.491 -6.220 2.341 1.00 0.00 C ATOM 1406 C THR A 97 -3.896 -7.189 1.325 1.00 0.00 C ATOM 1407 O THR A 97 -3.336 -6.773 0.310 1.00 0.00 O ATOM 1408 CB THR A 97 -5.954 -5.928 1.960 1.00 0.00 C ATOM 1409 OG1 THR A 97 -6.000 -5.109 0.787 1.00 0.00 O ATOM 1410 CG2 THR A 97 -6.682 -5.232 3.100 1.00 0.00 C ATOM 0 H THR A 97 -3.258 -4.724 1.545 1.00 0.00 H new ATOM 0 HA THR A 97 -4.466 -6.675 3.331 1.00 0.00 H new ATOM 0 HB THR A 97 -6.451 -6.877 1.760 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.934 -4.929 0.550 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.713 -5.036 2.807 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.671 -5.871 3.983 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.184 -4.289 3.328 1.00 0.00 H new ATOM 1418 N TYR A 98 -4.022 -8.481 1.604 1.00 0.00 N ATOM 1419 CA TYR A 98 -3.495 -9.509 0.714 1.00 0.00 C ATOM 1420 C TYR A 98 -4.474 -10.672 0.585 1.00 0.00 C ATOM 1421 O TYR A 98 -4.717 -11.403 1.544 1.00 0.00 O ATOM 1422 CB TYR A 98 -2.147 -10.017 1.229 1.00 0.00 C ATOM 1423 CG TYR A 98 -1.217 -10.486 0.132 1.00 0.00 C ATOM 1424 CD1 TYR A 98 -0.545 -9.574 -0.672 1.00 0.00 C ATOM 1425 CD2 TYR A 98 -1.011 -11.840 -0.099 1.00 0.00 C ATOM 1426 CE1 TYR A 98 0.305 -9.998 -1.676 1.00 0.00 C ATOM 1427 CE2 TYR A 98 -0.162 -12.273 -1.099 1.00 0.00 C ATOM 1428 CZ TYR A 98 0.493 -11.348 -1.885 1.00 0.00 C ATOM 1429 OH TYR A 98 1.340 -11.774 -2.883 1.00 0.00 O ATOM 0 H TYR A 98 -4.484 -8.842 2.439 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.356 -9.064 -0.271 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.659 -9.221 1.792 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.319 -10.839 1.924 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.689 -8.516 -0.510 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.523 -12.567 0.514 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.819 -9.276 -2.293 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.012 -13.330 -1.264 1.00 0.00 H new ATOM 0 HH TYR A 98 1.846 -12.554 -2.572 1.00 0.00 H new ATOM 1439 N GLY A 99 -5.033 -10.837 -0.610 1.00 0.00 N ATOM 1440 CA GLY A 99 -5.979 -11.913 -0.845 1.00 0.00 C ATOM 1441 C GLY A 99 -7.281 -11.714 -0.095 1.00 0.00 C ATOM 1442 O GLY A 99 -7.802 -12.645 0.516 1.00 0.00 O ATOM 0 H GLY A 99 -4.848 -10.245 -1.420 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.186 -11.984 -1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.530 -12.859 -0.543 1.00 0.00 H new ATOM 1446 N GLY A 100 -7.807 -10.493 -0.140 1.00 0.00 N ATOM 1447 CA GLY A 100 -9.051 -10.196 0.547 1.00 0.00 C ATOM 1448 C GLY A 100 -8.939 -10.365 2.049 1.00 0.00 C ATOM 1449 O GLY A 100 -9.914 -10.709 2.716 1.00 0.00 O ATOM 0 H GLY A 100 -7.394 -9.705 -0.639 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.352 -9.173 0.321 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.836 -10.850 0.169 1.00 0.00 H new ATOM 1453 N ASP A 101 -7.746 -10.124 2.582 1.00 0.00 N ATOM 1454 CA ASP A 101 -7.510 -10.251 4.015 1.00 0.00 C ATOM 1455 C ASP A 101 -6.451 -9.257 4.482 1.00 0.00 C ATOM 1456 O ASP A 101 -5.318 -9.269 4.001 1.00 0.00 O ATOM 1457 CB ASP A 101 -7.073 -11.677 4.357 1.00 0.00 C ATOM 1458 CG ASP A 101 -8.250 -12.593 4.631 1.00 0.00 C ATOM 1459 OD1 ASP A 101 -9.192 -12.157 5.326 1.00 0.00 O ATOM 1460 OD2 ASP A 101 -8.230 -13.745 4.150 1.00 0.00 O ATOM 0 H ASP A 101 -6.928 -9.840 2.043 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.444 -10.030 4.533 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.486 -12.082 3.533 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.422 -11.655 5.231 1.00 0.00 H new ATOM 1465 N ASP A 102 -6.829 -8.396 5.421 1.00 0.00 N ATOM 1466 CA ASP A 102 -5.913 -7.394 5.953 1.00 0.00 C ATOM 1467 C ASP A 102 -4.911 -8.029 6.912 1.00 0.00 C ATOM 1468 O ASP A 102 -5.202 -9.043 7.547 1.00 0.00 O ATOM 1469 CB ASP A 102 -6.691 -6.288 6.667 1.00 0.00 C ATOM 1470 CG ASP A 102 -7.887 -6.823 7.431 1.00 0.00 C ATOM 1471 OD1 ASP A 102 -7.690 -7.686 8.311 1.00 0.00 O ATOM 1472 OD2 ASP A 102 -9.019 -6.378 7.148 1.00 0.00 O ATOM 0 H ASP A 102 -7.763 -8.372 5.829 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.364 -6.959 5.118 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.026 -5.767 7.356 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.029 -5.555 5.935 1.00 0.00 H new ATOM 1477 N ILE A 103 -3.731 -7.426 7.011 1.00 0.00 N ATOM 1478 CA ILE A 103 -2.686 -7.933 7.892 1.00 0.00 C ATOM 1479 C ILE A 103 -2.901 -7.461 9.326 1.00 0.00 C ATOM 1480 O ILE A 103 -3.560 -6.454 9.583 1.00 0.00 O ATOM 1481 CB ILE A 103 -1.288 -7.489 7.421 1.00 0.00 C ATOM 1482 CG1 ILE A 103 -1.330 -6.045 6.918 1.00 0.00 C ATOM 1483 CG2 ILE A 103 -0.776 -8.421 6.333 1.00 0.00 C ATOM 1484 CD1 ILE A 103 0.039 -5.429 6.734 1.00 0.00 C ATOM 0 H ILE A 103 -3.475 -6.586 6.492 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.743 -9.021 7.857 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.602 -7.538 8.267 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.864 -6.015 5.968 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.900 -5.440 7.623 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.213 -8.095 6.010 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.713 -9.437 6.724 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.460 -8.400 5.485 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.068 -4.405 6.376 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.568 -5.427 7.687 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.605 -6.011 6.006 1.00 0.00 H new ATOM 1496 N PRO A 104 -2.330 -8.205 10.285 1.00 0.00 N ATOM 1497 CA PRO A 104 -2.442 -7.882 11.711 1.00 0.00 C ATOM 1498 C PRO A 104 -1.661 -6.626 12.083 1.00 0.00 C ATOM 1499 O PRO A 104 -1.587 -6.254 13.255 1.00 0.00 O ATOM 1500 CB PRO A 104 -1.843 -9.109 12.401 1.00 0.00 C ATOM 1501 CG PRO A 104 -0.912 -9.693 11.395 1.00 0.00 C ATOM 1502 CD PRO A 104 -1.530 -9.420 10.052 1.00 0.00 C ATOM 0 HA PRO A 104 -3.471 -7.673 12.002 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -1.316 -8.832 13.314 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.618 -9.822 12.684 1.00 0.00 H new ATOM 0 HG2 PRO A 104 0.077 -9.240 11.469 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -0.785 -10.764 11.556 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -0.772 -9.261 9.286 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -2.150 -10.252 9.719 1.00 0.00 H new ATOM 1510 N LEU A 105 -1.081 -5.977 11.080 1.00 0.00 N ATOM 1511 CA LEU A 105 -0.306 -4.761 11.303 1.00 0.00 C ATOM 1512 C LEU A 105 -1.134 -3.521 10.983 1.00 0.00 C ATOM 1513 O LEU A 105 -1.016 -2.494 11.653 1.00 0.00 O ATOM 1514 CB LEU A 105 0.962 -4.777 10.446 1.00 0.00 C ATOM 1515 CG LEU A 105 1.961 -5.895 10.747 1.00 0.00 C ATOM 1516 CD1 LEU A 105 3.053 -5.933 9.690 1.00 0.00 C ATOM 1517 CD2 LEU A 105 2.563 -5.713 12.133 1.00 0.00 C ATOM 0 H LEU A 105 -1.132 -6.272 10.105 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.026 -4.726 12.356 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.668 -4.852 9.399 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.470 -3.820 10.567 1.00 0.00 H new ATOM 0 HG LEU A 105 1.430 -6.847 10.726 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.755 -6.735 9.920 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.607 -6.112 8.712 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.582 -4.980 9.679 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.272 -6.517 12.330 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.079 -4.754 12.182 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.770 -5.737 12.880 1.00 0.00 H new ATOM 1529 N SER A 106 -1.972 -3.624 9.957 1.00 0.00 N ATOM 1530 CA SER A 106 -2.819 -2.509 9.547 1.00 0.00 C ATOM 1531 C SER A 106 -3.922 -2.260 10.571 1.00 0.00 C ATOM 1532 O SER A 106 -4.352 -3.162 11.290 1.00 0.00 O ATOM 1533 CB SER A 106 -3.435 -2.787 8.175 1.00 0.00 C ATOM 1534 OG SER A 106 -4.152 -4.010 8.176 1.00 0.00 O ATOM 0 H SER A 106 -2.083 -4.467 9.394 1.00 0.00 H new ATOM 0 HA SER A 106 -2.197 -1.616 9.484 1.00 0.00 H new ATOM 0 HB2 SER A 106 -4.103 -1.970 7.901 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.649 -2.823 7.421 1.00 0.00 H new ATOM 0 HG SER A 106 -4.537 -4.164 7.288 1.00 0.00 H new ATOM 1540 N PRO A 107 -4.391 -1.006 10.641 1.00 0.00 N ATOM 1541 CA PRO A 107 -3.887 0.077 9.790 1.00 0.00 C ATOM 1542 C PRO A 107 -2.463 0.485 10.155 1.00 0.00 C ATOM 1543 O PRO A 107 -1.839 -0.118 11.029 1.00 0.00 O ATOM 1544 CB PRO A 107 -4.859 1.226 10.064 1.00 0.00 C ATOM 1545 CG PRO A 107 -5.398 0.950 11.426 1.00 0.00 C ATOM 1546 CD PRO A 107 -5.451 -0.547 11.555 1.00 0.00 C ATOM 0 HA PRO A 107 -3.839 -0.217 8.742 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -4.352 2.190 10.027 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.656 1.256 9.321 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -4.759 1.385 12.194 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.389 1.388 11.550 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -5.265 -0.869 12.580 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.426 -0.941 11.269 1.00 0.00 H new ATOM 1554 N TYR A 108 -1.956 1.511 9.482 1.00 0.00 N ATOM 1555 CA TYR A 108 -0.605 1.998 9.734 1.00 0.00 C ATOM 1556 C TYR A 108 -0.623 3.470 10.136 1.00 0.00 C ATOM 1557 O TYR A 108 -1.261 4.296 9.483 1.00 0.00 O ATOM 1558 CB TYR A 108 0.268 1.808 8.493 1.00 0.00 C ATOM 1559 CG TYR A 108 0.996 0.482 8.462 1.00 0.00 C ATOM 1560 CD1 TYR A 108 0.295 -0.716 8.422 1.00 0.00 C ATOM 1561 CD2 TYR A 108 2.384 0.429 8.473 1.00 0.00 C ATOM 1562 CE1 TYR A 108 0.955 -1.929 8.394 1.00 0.00 C ATOM 1563 CE2 TYR A 108 3.053 -0.779 8.444 1.00 0.00 C ATOM 1564 CZ TYR A 108 2.334 -1.955 8.405 1.00 0.00 C ATOM 1565 OH TYR A 108 2.996 -3.162 8.376 1.00 0.00 O ATOM 0 H TYR A 108 -2.460 2.022 8.757 1.00 0.00 H new ATOM 0 HA TYR A 108 -0.185 1.420 10.557 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.357 1.891 7.604 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.999 2.615 8.446 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.785 -0.699 8.413 1.00 0.00 H new ATOM 0 HD2 TYR A 108 2.950 1.348 8.505 1.00 0.00 H new ATOM 0 HE1 TYR A 108 0.395 -2.852 8.364 1.00 0.00 H new ATOM 0 HE2 TYR A 108 4.133 -0.802 8.452 1.00 0.00 H new ATOM 0 HH TYR A 108 3.963 -3.005 8.388 1.00 0.00 H new ATOM 1575 N ARG A 109 0.082 3.790 11.217 1.00 0.00 N ATOM 1576 CA ARG A 109 0.147 5.161 11.708 1.00 0.00 C ATOM 1577 C ARG A 109 1.373 5.879 11.152 1.00 0.00 C ATOM 1578 O ARG A 109 2.503 5.421 11.322 1.00 0.00 O ATOM 1579 CB ARG A 109 0.184 5.176 13.237 1.00 0.00 C ATOM 1580 CG ARG A 109 -1.194 5.163 13.879 1.00 0.00 C ATOM 1581 CD ARG A 109 -1.108 5.348 15.386 1.00 0.00 C ATOM 1582 NE ARG A 109 -0.594 6.666 15.747 1.00 0.00 N ATOM 1583 CZ ARG A 109 -0.215 6.996 16.977 1.00 0.00 C ATOM 1584 NH1 ARG A 109 -0.292 6.107 17.958 1.00 0.00 N ATOM 1585 NH2 ARG A 109 0.242 8.216 17.227 1.00 0.00 N ATOM 0 H ARG A 109 0.616 3.118 11.769 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.746 5.686 11.368 1.00 0.00 H new ATOM 0 HB2 ARG A 109 0.747 4.311 13.587 1.00 0.00 H new ATOM 0 HB3 ARG A 109 0.723 6.063 13.570 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -1.805 5.956 13.448 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -1.692 4.220 13.655 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -2.096 5.212 15.825 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -0.462 4.579 15.809 1.00 0.00 H new ATOM 0 HE ARG A 109 -0.522 7.372 15.015 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -0.643 5.168 17.769 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -0.001 6.362 18.902 1.00 0.00 H new ATOM 0 HH21 ARG A 109 0.303 8.902 16.475 1.00 0.00 H new ATOM 0 HH22 ARG A 109 0.533 8.468 18.172 1.00 0.00 H new ATOM 1599 N ILE A 110 1.141 7.006 10.487 1.00 0.00 N ATOM 1600 CA ILE A 110 2.227 7.788 9.906 1.00 0.00 C ATOM 1601 C ILE A 110 1.933 9.282 9.988 1.00 0.00 C ATOM 1602 O ILE A 110 0.779 9.703 9.905 1.00 0.00 O ATOM 1603 CB ILE A 110 2.473 7.404 8.435 1.00 0.00 C ATOM 1604 CG1 ILE A 110 2.489 5.882 8.279 1.00 0.00 C ATOM 1605 CG2 ILE A 110 3.779 8.007 7.942 1.00 0.00 C ATOM 1606 CD1 ILE A 110 2.776 5.423 6.866 1.00 0.00 C ATOM 0 H ILE A 110 0.211 7.398 10.337 1.00 0.00 H new ATOM 0 HA ILE A 110 3.123 7.564 10.486 1.00 0.00 H new ATOM 0 HB ILE A 110 1.660 7.804 7.829 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.241 5.464 8.948 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.525 5.482 8.594 1.00 0.00 H new ATOM 0 HG21 ILE A 110 3.939 7.727 6.901 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.732 9.093 8.022 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.604 7.634 8.549 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.772 4.334 6.829 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.010 5.811 6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.753 5.793 6.555 1.00 0.00 H new ATOM 1618 N ARG A 111 2.984 10.078 10.149 1.00 0.00 N ATOM 1619 CA ARG A 111 2.840 11.526 10.241 1.00 0.00 C ATOM 1620 C ARG A 111 3.672 12.224 9.170 1.00 0.00 C ATOM 1621 O ARG A 111 4.723 11.729 8.765 1.00 0.00 O ATOM 1622 CB ARG A 111 3.260 12.015 11.628 1.00 0.00 C ATOM 1623 CG ARG A 111 2.125 12.031 12.638 1.00 0.00 C ATOM 1624 CD ARG A 111 2.383 13.035 13.751 1.00 0.00 C ATOM 1625 NE ARG A 111 1.300 13.057 14.731 1.00 0.00 N ATOM 1626 CZ ARG A 111 0.109 13.596 14.497 1.00 0.00 C ATOM 1627 NH1 ARG A 111 -0.151 14.154 13.323 1.00 0.00 N ATOM 1628 NH2 ARG A 111 -0.825 13.577 15.439 1.00 0.00 N ATOM 0 H ARG A 111 3.946 9.745 10.219 1.00 0.00 H new ATOM 0 HA ARG A 111 1.791 11.772 10.079 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.059 11.376 12.003 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.671 13.021 11.540 1.00 0.00 H new ATOM 0 HG2 ARG A 111 1.191 12.278 12.133 1.00 0.00 H new ATOM 0 HG3 ARG A 111 2.003 11.036 13.065 1.00 0.00 H new ATOM 0 HD2 ARG A 111 3.320 12.789 14.251 1.00 0.00 H new ATOM 0 HD3 ARG A 111 2.503 14.029 13.321 1.00 0.00 H new ATOM 0 HE ARG A 111 1.468 12.636 15.645 1.00 0.00 H new ATOM 0 HH11 ARG A 111 0.565 14.170 12.596 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -1.067 14.567 13.146 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -0.628 13.148 16.343 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -1.740 13.991 15.259 1.00 0.00 H new ATOM 1642 N ALA A 112 3.193 13.378 8.715 1.00 0.00 N ATOM 1643 CA ALA A 112 3.893 14.145 7.692 1.00 0.00 C ATOM 1644 C ALA A 112 4.378 15.481 8.244 1.00 0.00 C ATOM 1645 O ALA A 112 3.580 16.379 8.517 1.00 0.00 O ATOM 1646 CB ALA A 112 2.990 14.366 6.487 1.00 0.00 C ATOM 0 H ALA A 112 2.323 13.802 9.039 1.00 0.00 H new ATOM 0 HA ALA A 112 4.766 13.573 7.378 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.526 14.940 5.731 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.697 13.402 6.070 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.100 14.914 6.795 1.00 0.00 H new ATOM 1652 N THR A 113 5.691 15.608 8.407 1.00 0.00 N ATOM 1653 CA THR A 113 6.282 16.834 8.929 1.00 0.00 C ATOM 1654 C THR A 113 6.937 17.645 7.816 1.00 0.00 C ATOM 1655 O THR A 113 7.460 17.084 6.853 1.00 0.00 O ATOM 1656 CB THR A 113 7.331 16.534 10.016 1.00 0.00 C ATOM 1657 OG1 THR A 113 7.904 17.756 10.495 1.00 0.00 O ATOM 1658 CG2 THR A 113 8.430 15.632 9.473 1.00 0.00 C ATOM 0 H THR A 113 6.366 14.876 8.185 1.00 0.00 H new ATOM 0 HA THR A 113 5.471 17.414 9.369 1.00 0.00 H new ATOM 0 HB THR A 113 6.833 16.020 10.838 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.569 17.556 11.187 1.00 0.00 H new ATOM 0 HG21 THR A 113 9.159 15.434 10.258 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.995 14.691 9.136 1.00 0.00 H new ATOM 0 HG23 THR A 113 8.924 16.124 8.635 1.00 0.00 H new ATOM 1666 N GLN A 114 6.906 18.966 7.956 1.00 0.00 N ATOM 1667 CA GLN A 114 7.497 19.853 6.962 1.00 0.00 C ATOM 1668 C GLN A 114 8.378 20.906 7.627 1.00 0.00 C ATOM 1669 O GLN A 114 8.004 21.492 8.643 1.00 0.00 O ATOM 1670 CB GLN A 114 6.402 20.534 6.139 1.00 0.00 C ATOM 1671 CG GLN A 114 6.938 21.495 5.090 1.00 0.00 C ATOM 1672 CD GLN A 114 7.132 22.898 5.629 1.00 0.00 C ATOM 1673 OE1 GLN A 114 8.190 23.228 6.166 1.00 0.00 O ATOM 1674 NE2 GLN A 114 6.110 23.734 5.488 1.00 0.00 N ATOM 0 H GLN A 114 6.478 19.445 8.748 1.00 0.00 H new ATOM 0 HA GLN A 114 8.119 19.251 6.299 1.00 0.00 H new ATOM 0 HB2 GLN A 114 5.801 19.770 5.646 1.00 0.00 H new ATOM 0 HB3 GLN A 114 5.738 21.077 6.812 1.00 0.00 H new ATOM 0 HG2 GLN A 114 7.889 21.120 4.712 1.00 0.00 H new ATOM 0 HG3 GLN A 114 6.249 21.526 4.246 1.00 0.00 H new ATOM 0 HE21 GLN A 114 5.251 23.418 5.037 1.00 0.00 H new ATOM 0 HE22 GLN A 114 6.183 24.692 5.831 1.00 0.00 H new ATOM 1683 N THR A 115 9.551 21.142 7.047 1.00 0.00 N ATOM 1684 CA THR A 115 10.486 22.123 7.584 1.00 0.00 C ATOM 1685 C THR A 115 10.975 23.070 6.494 1.00 0.00 C ATOM 1686 O THR A 115 11.061 24.279 6.702 1.00 0.00 O ATOM 1687 CB THR A 115 11.701 21.440 8.239 1.00 0.00 C ATOM 1688 OG1 THR A 115 12.583 22.428 8.784 1.00 0.00 O ATOM 1689 CG2 THR A 115 12.452 20.586 7.228 1.00 0.00 C ATOM 0 H THR A 115 9.876 20.667 6.205 1.00 0.00 H new ATOM 0 HA THR A 115 9.947 22.693 8.341 1.00 0.00 H new ATOM 0 HB THR A 115 11.339 20.794 9.039 1.00 0.00 H new ATOM 0 HG1 THR A 115 13.352 21.986 9.200 1.00 0.00 H new ATOM 0 HG21 THR A 115 13.306 20.114 7.714 1.00 0.00 H new ATOM 0 HG22 THR A 115 11.787 19.817 6.836 1.00 0.00 H new ATOM 0 HG23 THR A 115 12.802 21.215 6.409 1.00 0.00 H new ATOM 1697 N GLY A 116 11.295 22.511 5.330 1.00 0.00 N ATOM 1698 CA GLY A 116 11.772 23.321 4.225 1.00 0.00 C ATOM 1699 C GLY A 116 10.640 23.932 3.424 1.00 0.00 C ATOM 1700 O GLY A 116 9.736 23.226 2.975 1.00 0.00 O ATOM 0 H GLY A 116 11.232 21.512 5.133 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.411 24.116 4.610 1.00 0.00 H new ATOM 0 HA3 GLY A 116 12.388 22.707 3.568 1.00 0.00 H new ATOM 1704 N ASP A 117 10.687 25.248 3.244 1.00 0.00 N ATOM 1705 CA ASP A 117 9.656 25.954 2.492 1.00 0.00 C ATOM 1706 C ASP A 117 10.017 26.025 1.012 1.00 0.00 C ATOM 1707 O ASP A 117 10.621 26.995 0.556 1.00 0.00 O ATOM 1708 CB ASP A 117 9.463 27.365 3.051 1.00 0.00 C ATOM 1709 CG ASP A 117 8.481 27.401 4.205 1.00 0.00 C ATOM 1710 OD1 ASP A 117 7.278 27.163 3.969 1.00 0.00 O ATOM 1711 OD2 ASP A 117 8.916 27.665 5.346 1.00 0.00 O ATOM 0 H ASP A 117 11.428 25.847 3.609 1.00 0.00 H new ATOM 0 HA ASP A 117 8.723 25.401 2.594 1.00 0.00 H new ATOM 0 HB2 ASP A 117 10.425 27.756 3.384 1.00 0.00 H new ATOM 0 HB3 ASP A 117 9.110 28.022 2.256 1.00 0.00 H new ATOM 1716 N ALA A 118 9.643 24.990 0.266 1.00 0.00 N ATOM 1717 CA ALA A 118 9.926 24.936 -1.163 1.00 0.00 C ATOM 1718 C ALA A 118 9.528 26.237 -1.851 1.00 0.00 C ATOM 1719 O ALA A 118 8.532 26.864 -1.488 1.00 0.00 O ATOM 1720 CB ALA A 118 9.203 23.758 -1.799 1.00 0.00 C ATOM 0 H ALA A 118 9.143 24.178 0.628 1.00 0.00 H new ATOM 0 HA ALA A 118 11.000 24.802 -1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.423 23.729 -2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.539 22.831 -1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 118 8.129 23.869 -1.653 1.00 0.00 H new ATOM 1726 N SER A 119 10.312 26.639 -2.846 1.00 0.00 N ATOM 1727 CA SER A 119 10.044 27.869 -3.582 1.00 0.00 C ATOM 1728 C SER A 119 8.549 28.033 -3.840 1.00 0.00 C ATOM 1729 O SER A 119 7.914 27.165 -4.436 1.00 0.00 O ATOM 1730 CB SER A 119 10.805 27.870 -4.909 1.00 0.00 C ATOM 1731 OG SER A 119 12.200 27.740 -4.697 1.00 0.00 O ATOM 0 H SER A 119 11.138 26.131 -3.161 1.00 0.00 H new ATOM 0 HA SER A 119 10.385 28.708 -2.975 1.00 0.00 H new ATOM 0 HB2 SER A 119 10.451 27.051 -5.535 1.00 0.00 H new ATOM 0 HB3 SER A 119 10.601 28.795 -5.448 1.00 0.00 H new ATOM 0 HG SER A 119 12.664 27.742 -5.560 1.00 0.00 H new TER 1737 SER A 119