USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 760 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= -0.604 K(o=-1.1,f=-0.62) USER MOD Set 1.2: A 76 HIS : no HD1:sc= -0.527 K(o=-1.1,f=0.0042) USER MOD Set 2.1: A 73 ASN : amide:sc= -9.65! C(o=-12!,f=-11!) USER MOD Set 2.2: A 78 CYS SG : rot 100:sc= -2.56 USER MOD Set 3.1: A 57 MET CE :methyl -133:sc= -0.358 (180deg=-1.48!) USER MOD Set 3.2: A 70 GLN : amide:sc= -2.31 K(o=-2.7,f=-7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 40:sc= 0.0244 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 60:sc= -0.181 USER MOD Single : A 16 THR OG1 : rot -113:sc= 0.224 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0028 K(o=-0.0028,f=-1.1) USER MOD Single : A 28 GLN : amide:sc= -2.44 K(o=-2.4,f=-18!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -95:sc= -0.43 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc=-0.00624 X(o=-0.0062,f=-0.065) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc=-0.00406 X(o=-0.0041,f=-0.46) USER MOD Single : A 48 SER OG : rot 130:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.429 K(o=-0.43,f=-3.1!) USER MOD Single : A 51 ASN : amide:sc= -0.0132 X(o=-0.013,f=-0.49) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.397 K(o=-0.4,f=-2.2!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.258 USER MOD Single : A 81 TYR OH : rot -165:sc= 1.27 USER MOD Single : A 90 GLN : amide:sc= -2.68! C(o=-2.7!,f=-5!) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 94 GLN : amide:sc= -0.174 K(o=-0.17,f=-1.8!) USER MOD Single : A 98 LYS NZ :NH3+ 161:sc= -0.0643 (180deg=-0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.766 -5.543 -28.049 1.00 0.00 N ATOM 2 CA GLY A 1 15.569 -4.746 -27.840 1.00 0.00 C ATOM 3 C GLY A 1 15.373 -4.431 -26.356 1.00 0.00 C ATOM 4 O GLY A 1 16.042 -3.555 -25.810 1.00 0.00 O ATOM 0 H1 GLY A 1 16.877 -5.743 -29.063 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.596 -5.019 -27.707 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.683 -6.438 -27.526 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.643 -3.817 -28.406 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.699 -5.283 -28.220 1.00 0.00 H new ATOM 8 N SER A 2 14.452 -5.162 -25.745 1.00 0.00 N ATOM 9 CA SER A 2 14.159 -4.972 -24.334 1.00 0.00 C ATOM 10 C SER A 2 15.343 -5.440 -23.486 1.00 0.00 C ATOM 11 O SER A 2 16.093 -6.325 -23.895 1.00 0.00 O ATOM 12 CB SER A 2 12.888 -5.720 -23.929 1.00 0.00 C ATOM 13 OG SER A 2 11.710 -4.985 -24.252 1.00 0.00 O ATOM 0 H SER A 2 13.899 -5.887 -26.201 1.00 0.00 H new ATOM 0 HA SER A 2 13.993 -3.909 -24.160 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.861 -6.687 -24.431 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.910 -5.918 -22.857 1.00 0.00 H new ATOM 0 HG SER A 2 10.920 -5.497 -23.979 1.00 0.00 H new ATOM 19 N GLU A 3 15.475 -4.825 -22.320 1.00 0.00 N ATOM 20 CA GLU A 3 16.555 -5.167 -21.411 1.00 0.00 C ATOM 21 C GLU A 3 16.010 -5.392 -19.999 1.00 0.00 C ATOM 22 O GLU A 3 15.263 -4.564 -19.479 1.00 0.00 O ATOM 23 CB GLU A 3 17.639 -4.087 -21.415 1.00 0.00 C ATOM 24 CG GLU A 3 19.035 -4.711 -21.385 1.00 0.00 C ATOM 25 CD GLU A 3 20.082 -3.740 -21.936 1.00 0.00 C ATOM 26 OE1 GLU A 3 20.203 -2.644 -21.349 1.00 0.00 O ATOM 27 OE2 GLU A 3 20.736 -4.116 -22.933 1.00 0.00 O ATOM 0 H GLU A 3 14.851 -4.091 -21.984 1.00 0.00 H new ATOM 0 HA GLU A 3 17.012 -6.095 -21.755 1.00 0.00 H new ATOM 0 HB2 GLU A 3 17.534 -3.465 -22.304 1.00 0.00 H new ATOM 0 HB3 GLU A 3 17.510 -3.434 -20.552 1.00 0.00 H new ATOM 0 HG2 GLU A 3 19.292 -4.987 -20.362 1.00 0.00 H new ATOM 0 HG3 GLU A 3 19.040 -5.629 -21.973 1.00 0.00 H new ATOM 34 N GLY A 4 16.404 -6.516 -19.418 1.00 0.00 N ATOM 35 CA GLY A 4 15.964 -6.859 -18.077 1.00 0.00 C ATOM 36 C GLY A 4 14.439 -6.970 -18.012 1.00 0.00 C ATOM 37 O GLY A 4 13.830 -7.681 -18.810 1.00 0.00 O ATOM 0 H GLY A 4 17.023 -7.201 -19.852 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.414 -7.804 -17.773 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.307 -6.101 -17.373 1.00 0.00 H new ATOM 41 N ALA A 5 13.866 -6.256 -17.053 1.00 0.00 N ATOM 42 CA ALA A 5 12.425 -6.266 -16.874 1.00 0.00 C ATOM 43 C ALA A 5 11.974 -7.672 -16.473 1.00 0.00 C ATOM 44 O ALA A 5 12.700 -8.643 -16.680 1.00 0.00 O ATOM 45 CB ALA A 5 11.747 -5.779 -18.156 1.00 0.00 C ATOM 0 H ALA A 5 14.374 -5.668 -16.393 1.00 0.00 H new ATOM 0 HA ALA A 5 12.134 -5.586 -16.073 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.665 -5.787 -18.021 1.00 0.00 H new ATOM 0 HB2 ALA A 5 12.078 -4.765 -18.380 1.00 0.00 H new ATOM 0 HB3 ALA A 5 12.014 -6.438 -18.982 1.00 0.00 H new ATOM 51 N ALA A 6 10.778 -7.736 -15.907 1.00 0.00 N ATOM 52 CA ALA A 6 10.222 -9.008 -15.475 1.00 0.00 C ATOM 53 C ALA A 6 11.169 -9.657 -14.464 1.00 0.00 C ATOM 54 O ALA A 6 11.802 -10.669 -14.762 1.00 0.00 O ATOM 55 CB ALA A 6 9.973 -9.896 -16.695 1.00 0.00 C ATOM 0 H ALA A 6 10.178 -6.928 -15.737 1.00 0.00 H new ATOM 0 HA ALA A 6 9.263 -8.859 -14.979 1.00 0.00 H new ATOM 0 HB1 ALA A 6 9.556 -10.850 -16.372 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.271 -9.402 -17.367 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.914 -10.070 -17.217 1.00 0.00 H new ATOM 61 N THR A 7 11.237 -9.048 -13.289 1.00 0.00 N ATOM 62 CA THR A 7 12.097 -9.554 -12.233 1.00 0.00 C ATOM 63 C THR A 7 11.347 -9.574 -10.899 1.00 0.00 C ATOM 64 O THR A 7 10.506 -8.714 -10.643 1.00 0.00 O ATOM 65 CB THR A 7 13.365 -8.699 -12.205 1.00 0.00 C ATOM 66 OG1 THR A 7 12.882 -7.367 -12.057 1.00 0.00 O ATOM 67 CG2 THR A 7 14.092 -8.685 -13.551 1.00 0.00 C ATOM 0 H THR A 7 10.711 -8.209 -13.045 1.00 0.00 H new ATOM 0 HA THR A 7 12.389 -10.587 -12.421 1.00 0.00 H new ATOM 0 HB THR A 7 14.038 -9.073 -11.434 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.639 -6.746 -12.028 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.985 -8.064 -13.476 1.00 0.00 H new ATOM 0 HG22 THR A 7 14.379 -9.702 -13.820 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.431 -8.280 -14.317 1.00 0.00 H new ATOM 75 N MET A 8 11.679 -10.565 -10.085 1.00 0.00 N ATOM 76 CA MET A 8 11.048 -10.708 -8.784 1.00 0.00 C ATOM 77 C MET A 8 11.190 -9.426 -7.962 1.00 0.00 C ATOM 78 O MET A 8 12.273 -8.847 -7.889 1.00 0.00 O ATOM 79 CB MET A 8 11.692 -11.872 -8.029 1.00 0.00 C ATOM 80 CG MET A 8 10.852 -12.270 -6.813 1.00 0.00 C ATOM 81 SD MET A 8 10.289 -13.955 -6.985 1.00 0.00 S ATOM 82 CE MET A 8 10.389 -14.490 -5.285 1.00 0.00 C ATOM 0 H MET A 8 12.377 -11.277 -10.301 1.00 0.00 H new ATOM 0 HA MET A 8 9.987 -10.905 -8.936 1.00 0.00 H new ATOM 0 HB2 MET A 8 11.800 -12.727 -8.696 1.00 0.00 H new ATOM 0 HB3 MET A 8 12.694 -11.591 -7.706 1.00 0.00 H new ATOM 0 HG2 MET A 8 11.443 -12.166 -5.903 1.00 0.00 H new ATOM 0 HG3 MET A 8 9.997 -11.600 -6.716 1.00 0.00 H new ATOM 0 HE1 MET A 8 10.070 -15.530 -5.211 1.00 0.00 H new ATOM 0 HE2 MET A 8 11.417 -14.400 -4.935 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.741 -13.867 -4.669 1.00 0.00 H new ATOM 92 N SER A 9 10.080 -9.019 -7.363 1.00 0.00 N ATOM 93 CA SER A 9 10.067 -7.815 -6.549 1.00 0.00 C ATOM 94 C SER A 9 9.194 -8.030 -5.311 1.00 0.00 C ATOM 95 O SER A 9 8.028 -8.405 -5.426 1.00 0.00 O ATOM 96 CB SER A 9 9.563 -6.613 -7.351 1.00 0.00 C ATOM 97 OG SER A 9 8.379 -6.918 -8.082 1.00 0.00 O ATOM 0 H SER A 9 9.184 -9.502 -7.425 1.00 0.00 H new ATOM 0 HA SER A 9 11.089 -7.605 -6.234 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.367 -5.782 -6.674 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.341 -6.286 -8.041 1.00 0.00 H new ATOM 0 HG SER A 9 7.790 -7.476 -7.532 1.00 0.00 H new ATOM 103 N GLY A 10 9.793 -7.784 -4.155 1.00 0.00 N ATOM 104 CA GLY A 10 9.085 -7.947 -2.896 1.00 0.00 C ATOM 105 C GLY A 10 8.360 -6.657 -2.505 1.00 0.00 C ATOM 106 O GLY A 10 8.744 -5.992 -1.545 1.00 0.00 O ATOM 0 H GLY A 10 10.760 -7.473 -4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.366 -8.761 -2.982 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.789 -8.225 -2.112 1.00 0.00 H new ATOM 110 N LEU A 11 7.324 -6.344 -3.269 1.00 0.00 N ATOM 111 CA LEU A 11 6.541 -5.146 -3.014 1.00 0.00 C ATOM 112 C LEU A 11 5.636 -5.381 -1.803 1.00 0.00 C ATOM 113 O LEU A 11 5.161 -6.495 -1.586 1.00 0.00 O ATOM 114 CB LEU A 11 5.785 -4.722 -4.274 1.00 0.00 C ATOM 115 CG LEU A 11 5.936 -3.256 -4.686 1.00 0.00 C ATOM 116 CD1 LEU A 11 7.194 -3.052 -5.533 1.00 0.00 C ATOM 117 CD2 LEU A 11 4.679 -2.754 -5.399 1.00 0.00 C ATOM 0 H LEU A 11 7.008 -6.899 -4.065 1.00 0.00 H new ATOM 0 HA LEU A 11 7.194 -4.310 -2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.119 -5.348 -5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.725 -4.930 -4.125 1.00 0.00 H new ATOM 0 HG LEU A 11 6.054 -2.658 -3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.278 -2.002 -5.813 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.072 -3.345 -4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.130 -3.663 -6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.813 -1.710 -5.681 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.505 -3.352 -6.294 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.822 -2.842 -4.731 1.00 0.00 H new ATOM 129 N ARG A 12 5.424 -4.315 -1.047 1.00 0.00 N ATOM 130 CA ARG A 12 4.585 -4.391 0.137 1.00 0.00 C ATOM 131 C ARG A 12 3.673 -3.166 0.220 1.00 0.00 C ATOM 132 O ARG A 12 4.123 -2.037 0.027 1.00 0.00 O ATOM 133 CB ARG A 12 5.431 -4.476 1.408 1.00 0.00 C ATOM 134 CG ARG A 12 6.399 -5.659 1.344 1.00 0.00 C ATOM 135 CD ARG A 12 6.554 -6.316 2.717 1.00 0.00 C ATOM 136 NE ARG A 12 7.985 -6.386 3.087 1.00 0.00 N ATOM 137 CZ ARG A 12 8.873 -7.202 2.503 1.00 0.00 C ATOM 138 NH1 ARG A 12 8.482 -8.022 1.518 1.00 0.00 N ATOM 139 NH2 ARG A 12 10.152 -7.198 2.903 1.00 0.00 N ATOM 0 H ARG A 12 5.819 -3.393 -1.231 1.00 0.00 H new ATOM 0 HA ARG A 12 3.980 -5.294 0.057 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.991 -3.550 1.539 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.780 -4.581 2.276 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.035 -6.393 0.625 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.371 -5.319 0.988 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.004 -5.746 3.466 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.125 -7.318 2.700 1.00 0.00 H new ATOM 0 HE ARG A 12 8.316 -5.775 3.833 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.509 -8.025 1.213 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.158 -8.643 1.073 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.450 -6.574 3.652 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.827 -7.819 2.458 1.00 0.00 H new ATOM 153 N VAL A 13 2.406 -3.428 0.509 1.00 0.00 N ATOM 154 CA VAL A 13 1.427 -2.361 0.620 1.00 0.00 C ATOM 155 C VAL A 13 0.922 -2.287 2.063 1.00 0.00 C ATOM 156 O VAL A 13 0.055 -3.064 2.461 1.00 0.00 O ATOM 157 CB VAL A 13 0.304 -2.573 -0.397 1.00 0.00 C ATOM 158 CG1 VAL A 13 -0.945 -1.778 -0.008 1.00 0.00 C ATOM 159 CG2 VAL A 13 0.767 -2.210 -1.809 1.00 0.00 C ATOM 0 H VAL A 13 2.036 -4.365 0.670 1.00 0.00 H new ATOM 0 HA VAL A 13 1.882 -1.399 0.385 1.00 0.00 H new ATOM 0 HB VAL A 13 0.043 -3.631 -0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.728 -1.946 -0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.294 -2.105 0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.703 -0.716 0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.050 -2.370 -2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.069 -1.163 -1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.613 -2.838 -2.087 1.00 0.00 H new ATOM 169 N TYR A 14 1.485 -1.346 2.806 1.00 0.00 N ATOM 170 CA TYR A 14 1.102 -1.160 4.195 1.00 0.00 C ATOM 171 C TYR A 14 -0.297 -0.550 4.302 1.00 0.00 C ATOM 172 O TYR A 14 -0.467 0.656 4.125 1.00 0.00 O ATOM 173 CB TYR A 14 2.119 -0.182 4.786 1.00 0.00 C ATOM 174 CG TYR A 14 3.470 -0.816 5.122 1.00 0.00 C ATOM 175 CD1 TYR A 14 4.302 -1.247 4.109 1.00 0.00 C ATOM 176 CD2 TYR A 14 3.857 -0.957 6.440 1.00 0.00 C ATOM 177 CE1 TYR A 14 5.574 -1.844 4.426 1.00 0.00 C ATOM 178 CE2 TYR A 14 5.128 -1.554 6.757 1.00 0.00 C ATOM 179 CZ TYR A 14 5.924 -1.968 5.735 1.00 0.00 C ATOM 180 OH TYR A 14 7.125 -2.532 6.034 1.00 0.00 O ATOM 0 H TYR A 14 2.204 -0.704 2.472 1.00 0.00 H new ATOM 0 HA TYR A 14 1.087 -2.115 4.720 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.277 0.633 4.079 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.701 0.258 5.691 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.999 -1.137 3.078 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.206 -0.619 7.233 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.235 -2.185 3.643 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.442 -1.671 7.784 1.00 0.00 H new ATOM 0 HH TYR A 14 7.243 -2.555 7.007 1.00 0.00 H new ATOM 190 N SER A 15 -1.262 -1.409 4.591 1.00 0.00 N ATOM 191 CA SER A 15 -2.641 -0.970 4.723 1.00 0.00 C ATOM 192 C SER A 15 -3.185 -1.360 6.099 1.00 0.00 C ATOM 193 O SER A 15 -2.665 -2.272 6.740 1.00 0.00 O ATOM 194 CB SER A 15 -3.517 -1.564 3.618 1.00 0.00 C ATOM 195 OG SER A 15 -3.127 -2.893 3.284 1.00 0.00 O ATOM 0 H SER A 15 -1.117 -2.408 4.738 1.00 0.00 H new ATOM 0 HA SER A 15 -2.665 0.115 4.624 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.558 -1.562 3.940 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.457 -0.935 2.730 1.00 0.00 H new ATOM 0 HG SER A 15 -3.202 -3.465 4.076 1.00 0.00 H new ATOM 201 N THR A 16 -4.224 -0.649 6.512 1.00 0.00 N ATOM 202 CA THR A 16 -4.844 -0.910 7.800 1.00 0.00 C ATOM 203 C THR A 16 -6.228 -1.533 7.610 1.00 0.00 C ATOM 204 O THR A 16 -7.000 -1.092 6.759 1.00 0.00 O ATOM 205 CB THR A 16 -4.871 0.403 8.586 1.00 0.00 C ATOM 206 OG1 THR A 16 -5.504 0.059 9.815 1.00 0.00 O ATOM 207 CG2 THR A 16 -5.809 1.439 7.962 1.00 0.00 C ATOM 0 H THR A 16 -4.652 0.107 5.978 1.00 0.00 H new ATOM 0 HA THR A 16 -4.271 -1.638 8.374 1.00 0.00 H new ATOM 0 HB THR A 16 -3.863 0.813 8.643 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.372 0.511 9.874 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.791 2.352 8.558 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.481 1.662 6.947 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.824 1.042 7.936 1.00 0.00 H new ATOM 215 N SER A 17 -6.501 -2.548 8.416 1.00 0.00 N ATOM 216 CA SER A 17 -7.778 -3.237 8.346 1.00 0.00 C ATOM 217 C SER A 17 -8.854 -2.417 9.062 1.00 0.00 C ATOM 218 O SER A 17 -9.903 -2.127 8.488 1.00 0.00 O ATOM 219 CB SER A 17 -7.684 -4.636 8.958 1.00 0.00 C ATOM 220 OG SER A 17 -8.461 -5.588 8.235 1.00 0.00 O ATOM 0 H SER A 17 -5.859 -2.910 9.121 1.00 0.00 H new ATOM 0 HA SER A 17 -8.050 -3.347 7.296 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.642 -4.956 8.974 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.023 -4.602 9.993 1.00 0.00 H new ATOM 0 HG SER A 17 -8.374 -6.469 8.656 1.00 0.00 H new ATOM 226 N VAL A 18 -8.556 -2.066 10.304 1.00 0.00 N ATOM 227 CA VAL A 18 -9.485 -1.285 11.104 1.00 0.00 C ATOM 228 C VAL A 18 -9.148 0.201 10.963 1.00 0.00 C ATOM 229 O VAL A 18 -8.022 0.614 11.234 1.00 0.00 O ATOM 230 CB VAL A 18 -9.460 -1.768 12.555 1.00 0.00 C ATOM 231 CG1 VAL A 18 -10.308 -0.861 13.449 1.00 0.00 C ATOM 232 CG2 VAL A 18 -9.921 -3.224 12.656 1.00 0.00 C ATOM 0 H VAL A 18 -7.685 -2.308 10.776 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.506 -1.423 10.747 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.430 -1.718 12.908 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.273 -1.226 14.475 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.916 0.155 13.412 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.340 -0.865 13.097 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.894 -3.543 13.698 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.939 -3.310 12.276 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.259 -3.857 12.066 1.00 0.00 H new ATOM 242 N THR A 19 -10.145 0.963 10.538 1.00 0.00 N ATOM 243 CA THR A 19 -9.968 2.394 10.358 1.00 0.00 C ATOM 244 C THR A 19 -11.313 3.066 10.071 1.00 0.00 C ATOM 245 O THR A 19 -12.180 2.477 9.427 1.00 0.00 O ATOM 246 CB THR A 19 -8.935 2.607 9.250 1.00 0.00 C ATOM 247 OG1 THR A 19 -8.878 4.023 9.096 1.00 0.00 O ATOM 248 CG2 THR A 19 -9.421 2.104 7.890 1.00 0.00 C ATOM 0 H THR A 19 -11.078 0.617 10.313 1.00 0.00 H new ATOM 0 HA THR A 19 -9.593 2.863 11.267 1.00 0.00 H new ATOM 0 HB THR A 19 -8.009 2.097 9.515 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.230 4.250 8.397 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.650 2.280 7.140 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.631 1.036 7.951 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.329 2.637 7.608 1.00 0.00 H new ATOM 256 N GLY A 20 -11.445 4.288 10.564 1.00 0.00 N ATOM 257 CA GLY A 20 -12.669 5.046 10.369 1.00 0.00 C ATOM 258 C GLY A 20 -12.554 5.971 9.156 1.00 0.00 C ATOM 259 O GLY A 20 -13.425 5.973 8.287 1.00 0.00 O ATOM 0 H GLY A 20 -10.724 4.773 11.099 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.506 4.362 10.231 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.882 5.635 11.261 1.00 0.00 H new ATOM 263 N SER A 21 -11.472 6.735 9.135 1.00 0.00 N ATOM 264 CA SER A 21 -11.231 7.663 8.043 1.00 0.00 C ATOM 265 C SER A 21 -11.557 6.993 6.706 1.00 0.00 C ATOM 266 O SER A 21 -10.912 6.018 6.323 1.00 0.00 O ATOM 267 CB SER A 21 -9.784 8.158 8.049 1.00 0.00 C ATOM 268 OG SER A 21 -9.694 9.549 7.753 1.00 0.00 O ATOM 0 H SER A 21 -10.752 6.730 9.857 1.00 0.00 H new ATOM 0 HA SER A 21 -11.882 8.527 8.179 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.339 7.966 9.025 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.205 7.594 7.318 1.00 0.00 H new ATOM 0 HG SER A 21 -8.754 9.827 7.768 1.00 0.00 H new ATOM 274 N ARG A 22 -12.556 7.544 6.033 1.00 0.00 N ATOM 275 CA ARG A 22 -12.975 7.012 4.747 1.00 0.00 C ATOM 276 C ARG A 22 -11.999 7.443 3.651 1.00 0.00 C ATOM 277 O ARG A 22 -12.067 6.952 2.525 1.00 0.00 O ATOM 278 CB ARG A 22 -14.382 7.491 4.385 1.00 0.00 C ATOM 279 CG ARG A 22 -14.415 9.010 4.208 1.00 0.00 C ATOM 280 CD ARG A 22 -15.347 9.409 3.061 1.00 0.00 C ATOM 281 NE ARG A 22 -16.222 10.525 3.484 1.00 0.00 N ATOM 282 CZ ARG A 22 -15.773 11.733 3.850 1.00 0.00 C ATOM 283 NH1 ARG A 22 -14.458 11.989 3.848 1.00 0.00 N ATOM 284 NH2 ARG A 22 -16.640 12.686 4.219 1.00 0.00 N ATOM 0 H ARG A 22 -13.088 8.353 6.354 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.982 5.925 4.824 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.709 7.007 3.465 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -15.083 7.197 5.167 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.749 9.480 5.133 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.409 9.378 4.008 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.760 9.705 2.191 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.953 8.555 2.760 1.00 0.00 H new ATOM 0 HE ARG A 22 -17.229 10.365 3.498 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.798 11.264 3.568 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.117 12.909 4.127 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.641 12.491 4.221 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.299 13.606 4.498 1.00 0.00 H new ATOM 298 N GLU A 23 -11.112 8.357 4.018 1.00 0.00 N ATOM 299 CA GLU A 23 -10.123 8.860 3.080 1.00 0.00 C ATOM 300 C GLU A 23 -8.949 7.884 2.973 1.00 0.00 C ATOM 301 O GLU A 23 -8.343 7.751 1.911 1.00 0.00 O ATOM 302 CB GLU A 23 -9.643 10.254 3.485 1.00 0.00 C ATOM 303 CG GLU A 23 -10.307 11.334 2.628 1.00 0.00 C ATOM 304 CD GLU A 23 -9.266 12.103 1.811 1.00 0.00 C ATOM 305 OE1 GLU A 23 -8.810 11.535 0.795 1.00 0.00 O ATOM 306 OE2 GLU A 23 -8.950 13.240 2.222 1.00 0.00 O ATOM 0 H GLU A 23 -11.058 8.762 4.953 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.590 8.944 2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.870 10.429 4.537 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.560 10.315 3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.034 10.875 1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.855 12.025 3.268 1.00 0.00 H new ATOM 313 N ILE A 24 -8.663 7.228 4.088 1.00 0.00 N ATOM 314 CA ILE A 24 -7.573 6.269 4.133 1.00 0.00 C ATOM 315 C ILE A 24 -7.919 5.067 3.252 1.00 0.00 C ATOM 316 O ILE A 24 -7.245 4.807 2.257 1.00 0.00 O ATOM 317 CB ILE A 24 -7.245 5.897 5.580 1.00 0.00 C ATOM 318 CG1 ILE A 24 -6.557 7.057 6.302 1.00 0.00 C ATOM 319 CG2 ILE A 24 -6.418 4.612 5.642 1.00 0.00 C ATOM 320 CD1 ILE A 24 -6.611 6.868 7.820 1.00 0.00 C ATOM 0 H ILE A 24 -9.167 7.342 4.967 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.662 6.710 3.728 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.181 5.702 6.103 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.519 7.127 5.977 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.040 7.996 6.031 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.199 4.370 6.682 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.981 3.795 5.190 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.484 4.754 5.098 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.115 7.706 8.309 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.651 6.822 8.144 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.106 5.940 8.089 1.00 0.00 H new ATOM 332 N LYS A 25 -8.971 4.366 3.651 1.00 0.00 N ATOM 333 CA LYS A 25 -9.415 3.197 2.911 1.00 0.00 C ATOM 334 C LYS A 25 -9.317 3.481 1.410 1.00 0.00 C ATOM 335 O LYS A 25 -8.590 2.796 0.692 1.00 0.00 O ATOM 336 CB LYS A 25 -10.813 2.774 3.366 1.00 0.00 C ATOM 337 CG LYS A 25 -10.741 1.585 4.326 1.00 0.00 C ATOM 338 CD LYS A 25 -12.048 0.789 4.312 1.00 0.00 C ATOM 339 CE LYS A 25 -13.069 1.396 5.276 1.00 0.00 C ATOM 340 NZ LYS A 25 -13.507 0.389 6.269 1.00 0.00 N ATOM 0 H LYS A 25 -9.528 4.585 4.477 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.766 2.346 3.118 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.309 3.612 3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.417 2.509 2.498 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.912 0.935 4.044 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.538 1.940 5.336 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.459 0.775 3.303 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.851 -0.246 4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.630 2.253 5.787 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.930 1.764 4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.200 0.817 6.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.944 -0.416 5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.685 0.057 6.813 1.00 0.00 H new ATOM 354 N SER A 26 -10.058 4.492 0.982 1.00 0.00 N ATOM 355 CA SER A 26 -10.063 4.875 -0.419 1.00 0.00 C ATOM 356 C SER A 26 -8.653 4.753 -1.001 1.00 0.00 C ATOM 357 O SER A 26 -8.449 4.077 -2.008 1.00 0.00 O ATOM 358 CB SER A 26 -10.590 6.300 -0.599 1.00 0.00 C ATOM 359 OG SER A 26 -11.781 6.335 -1.381 1.00 0.00 O ATOM 0 H SER A 26 -10.659 5.058 1.581 1.00 0.00 H new ATOM 0 HA SER A 26 -10.730 4.200 -0.955 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.785 6.740 0.379 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.825 6.912 -1.077 1.00 0.00 H new ATOM 0 HG SER A 26 -12.086 7.262 -1.471 1.00 0.00 H new ATOM 365 N GLN A 27 -7.716 5.419 -0.341 1.00 0.00 N ATOM 366 CA GLN A 27 -6.331 5.394 -0.780 1.00 0.00 C ATOM 367 C GLN A 27 -5.826 3.952 -0.860 1.00 0.00 C ATOM 368 O GLN A 27 -5.236 3.552 -1.862 1.00 0.00 O ATOM 369 CB GLN A 27 -5.448 6.234 0.145 1.00 0.00 C ATOM 370 CG GLN A 27 -5.655 7.728 -0.107 1.00 0.00 C ATOM 371 CD GLN A 27 -5.023 8.565 1.006 1.00 0.00 C ATOM 372 OE1 GLN A 27 -3.897 8.344 1.421 1.00 0.00 O ATOM 373 NE2 GLN A 27 -5.807 9.537 1.465 1.00 0.00 N ATOM 0 H GLN A 27 -7.889 5.979 0.494 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.277 5.833 -1.776 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.680 6.001 1.184 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.401 5.977 -0.014 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.217 8.003 -1.067 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.721 7.945 -0.169 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.740 9.668 1.073 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.475 10.151 2.209 1.00 0.00 H new ATOM 382 N GLN A 28 -6.076 3.211 0.210 1.00 0.00 N ATOM 383 CA GLN A 28 -5.653 1.822 0.273 1.00 0.00 C ATOM 384 C GLN A 28 -6.284 1.023 -0.869 1.00 0.00 C ATOM 385 O GLN A 28 -5.604 0.244 -1.536 1.00 0.00 O ATOM 386 CB GLN A 28 -6.000 1.205 1.630 1.00 0.00 C ATOM 387 CG GLN A 28 -5.509 2.091 2.777 1.00 0.00 C ATOM 388 CD GLN A 28 -5.555 1.340 4.109 1.00 0.00 C ATOM 389 OE1 GLN A 28 -4.567 1.211 4.813 1.00 0.00 O ATOM 390 NE2 GLN A 28 -6.754 0.853 4.414 1.00 0.00 N ATOM 0 H GLN A 28 -6.566 3.546 1.040 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.569 1.787 0.160 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.079 1.069 1.707 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.548 0.216 1.710 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.489 2.420 2.576 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.127 2.987 2.839 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.539 0.997 3.779 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.888 0.335 5.283 1.00 0.00 H new ATOM 399 N SER A 29 -7.576 1.243 -1.060 1.00 0.00 N ATOM 400 CA SER A 29 -8.306 0.553 -2.110 1.00 0.00 C ATOM 401 C SER A 29 -7.729 0.923 -3.478 1.00 0.00 C ATOM 402 O SER A 29 -7.506 0.053 -4.318 1.00 0.00 O ATOM 403 CB SER A 29 -9.798 0.887 -2.055 1.00 0.00 C ATOM 404 OG SER A 29 -10.582 -0.234 -1.656 1.00 0.00 O ATOM 0 H SER A 29 -8.137 1.890 -0.505 1.00 0.00 H new ATOM 0 HA SER A 29 -8.196 -0.520 -1.954 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.960 1.709 -1.358 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.129 1.230 -3.035 1.00 0.00 H new ATOM 0 HG SER A 29 -11.528 0.021 -1.632 1.00 0.00 H new ATOM 410 N GLU A 30 -7.504 2.216 -3.659 1.00 0.00 N ATOM 411 CA GLU A 30 -6.957 2.712 -4.911 1.00 0.00 C ATOM 412 C GLU A 30 -5.595 2.071 -5.186 1.00 0.00 C ATOM 413 O GLU A 30 -5.428 1.364 -6.179 1.00 0.00 O ATOM 414 CB GLU A 30 -6.851 4.239 -4.896 1.00 0.00 C ATOM 415 CG GLU A 30 -8.047 4.878 -5.606 1.00 0.00 C ATOM 416 CD GLU A 30 -8.693 5.954 -4.730 1.00 0.00 C ATOM 417 OE1 GLU A 30 -7.923 6.702 -4.090 1.00 0.00 O ATOM 418 OE2 GLU A 30 -9.942 6.003 -4.721 1.00 0.00 O ATOM 0 H GLU A 30 -7.690 2.935 -2.960 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.637 2.435 -5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.802 4.594 -3.866 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.926 4.548 -5.384 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.722 5.318 -6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.783 4.111 -5.849 1.00 0.00 H new ATOM 425 N VAL A 31 -4.657 2.342 -4.291 1.00 0.00 N ATOM 426 CA VAL A 31 -3.316 1.800 -4.425 1.00 0.00 C ATOM 427 C VAL A 31 -3.401 0.356 -4.924 1.00 0.00 C ATOM 428 O VAL A 31 -2.853 0.025 -5.974 1.00 0.00 O ATOM 429 CB VAL A 31 -2.563 1.932 -3.099 1.00 0.00 C ATOM 430 CG1 VAL A 31 -1.228 1.186 -3.151 1.00 0.00 C ATOM 431 CG2 VAL A 31 -2.357 3.402 -2.730 1.00 0.00 C ATOM 0 H VAL A 31 -4.799 2.930 -3.470 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.748 2.365 -5.163 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.172 1.474 -2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.713 1.295 -2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.409 0.129 -3.346 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.610 1.601 -3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.820 3.468 -1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.779 3.896 -3.511 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.326 3.892 -2.632 1.00 0.00 H new ATOM 441 N THR A 32 -4.093 -0.464 -4.147 1.00 0.00 N ATOM 442 CA THR A 32 -4.257 -1.865 -4.496 1.00 0.00 C ATOM 443 C THR A 32 -4.877 -1.998 -5.889 1.00 0.00 C ATOM 444 O THR A 32 -4.434 -2.815 -6.694 1.00 0.00 O ATOM 445 CB THR A 32 -5.084 -2.533 -3.396 1.00 0.00 C ATOM 446 OG1 THR A 32 -6.267 -1.743 -3.323 1.00 0.00 O ATOM 447 CG2 THR A 32 -4.449 -2.382 -2.012 1.00 0.00 C ATOM 0 H THR A 32 -4.547 -0.185 -3.277 1.00 0.00 H new ATOM 0 HA THR A 32 -3.295 -2.374 -4.553 1.00 0.00 H new ATOM 0 HB THR A 32 -5.205 -3.592 -3.626 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.167 -1.068 -2.620 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.076 -2.874 -1.268 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.460 -2.841 -2.013 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.358 -1.324 -1.767 1.00 0.00 H new ATOM 455 N ARG A 33 -5.893 -1.183 -6.129 1.00 0.00 N ATOM 456 CA ARG A 33 -6.579 -1.199 -7.410 1.00 0.00 C ATOM 457 C ARG A 33 -5.581 -0.979 -8.549 1.00 0.00 C ATOM 458 O ARG A 33 -5.514 -1.776 -9.483 1.00 0.00 O ATOM 459 CB ARG A 33 -7.659 -0.117 -7.471 1.00 0.00 C ATOM 460 CG ARG A 33 -8.859 -0.586 -8.295 1.00 0.00 C ATOM 461 CD ARG A 33 -9.992 0.442 -8.248 1.00 0.00 C ATOM 462 NE ARG A 33 -11.296 -0.235 -8.421 1.00 0.00 N ATOM 463 CZ ARG A 33 -12.467 0.407 -8.534 1.00 0.00 C ATOM 464 NH1 ARG A 33 -12.503 1.746 -8.492 1.00 0.00 N ATOM 465 NH2 ARG A 33 -13.601 -0.289 -8.688 1.00 0.00 N ATOM 0 H ARG A 33 -6.258 -0.507 -5.458 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.052 -2.175 -7.520 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.983 0.136 -6.461 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.245 0.791 -7.909 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.554 -0.749 -9.329 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.215 -1.543 -7.913 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.972 0.974 -7.297 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.852 1.186 -9.032 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.304 -1.254 -8.457 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.639 2.276 -8.374 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.394 2.235 -8.578 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.574 -1.308 -8.719 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.492 0.200 -8.774 1.00 0.00 H new ATOM 479 N ILE A 34 -4.831 0.107 -8.434 1.00 0.00 N ATOM 480 CA ILE A 34 -3.840 0.442 -9.442 1.00 0.00 C ATOM 481 C ILE A 34 -2.823 -0.696 -9.551 1.00 0.00 C ATOM 482 O ILE A 34 -2.514 -1.155 -10.649 1.00 0.00 O ATOM 483 CB ILE A 34 -3.209 1.803 -9.142 1.00 0.00 C ATOM 484 CG1 ILE A 34 -4.283 2.876 -8.952 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.198 2.190 -10.223 1.00 0.00 C ATOM 486 CD1 ILE A 34 -4.242 3.448 -7.534 1.00 0.00 C ATOM 0 H ILE A 34 -4.890 0.766 -7.658 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.312 0.543 -10.420 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.662 1.725 -8.203 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.133 3.677 -9.676 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.267 2.449 -9.148 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.765 3.161 -9.985 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.407 1.441 -10.267 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.701 2.244 -11.189 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.015 4.208 -7.426 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.416 2.648 -6.814 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.265 3.895 -7.350 1.00 0.00 H new ATOM 498 N LEU A 35 -2.332 -1.120 -8.396 1.00 0.00 N ATOM 499 CA LEU A 35 -1.356 -2.196 -8.347 1.00 0.00 C ATOM 500 C LEU A 35 -1.947 -3.443 -9.007 1.00 0.00 C ATOM 501 O LEU A 35 -1.241 -4.179 -9.696 1.00 0.00 O ATOM 502 CB LEU A 35 -0.884 -2.426 -6.910 1.00 0.00 C ATOM 503 CG LEU A 35 0.058 -1.366 -6.336 1.00 0.00 C ATOM 504 CD1 LEU A 35 0.439 -1.695 -4.891 1.00 0.00 C ATOM 505 CD2 LEU A 35 1.289 -1.186 -7.227 1.00 0.00 C ATOM 0 H LEU A 35 -2.592 -0.738 -7.487 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.463 -1.928 -8.912 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.761 -2.491 -6.266 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.383 -3.393 -6.864 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.470 -0.413 -6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.109 -0.926 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.461 -1.732 -4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.940 -2.662 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.942 -0.427 -6.796 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.828 -2.131 -7.298 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.975 -0.872 -8.222 1.00 0.00 H new ATOM 517 N ASP A 36 -3.236 -3.644 -8.774 1.00 0.00 N ATOM 518 CA ASP A 36 -3.929 -4.790 -9.338 1.00 0.00 C ATOM 519 C ASP A 36 -3.967 -4.658 -10.862 1.00 0.00 C ATOM 520 O ASP A 36 -3.564 -5.573 -11.578 1.00 0.00 O ATOM 521 CB ASP A 36 -5.371 -4.864 -8.833 1.00 0.00 C ATOM 522 CG ASP A 36 -5.957 -6.275 -8.755 1.00 0.00 C ATOM 523 OD1 ASP A 36 -5.701 -6.940 -7.728 1.00 0.00 O ATOM 524 OD2 ASP A 36 -6.648 -6.657 -9.725 1.00 0.00 O ATOM 0 H ASP A 36 -3.819 -3.032 -8.202 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.394 -5.690 -9.035 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.417 -4.413 -7.842 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.001 -4.261 -9.487 1.00 0.00 H new ATOM 529 N GLY A 37 -4.456 -3.512 -11.312 1.00 0.00 N ATOM 530 CA GLY A 37 -4.553 -3.249 -12.738 1.00 0.00 C ATOM 531 C GLY A 37 -3.174 -3.297 -13.399 1.00 0.00 C ATOM 532 O GLY A 37 -3.023 -3.844 -14.490 1.00 0.00 O ATOM 0 H GLY A 37 -4.789 -2.755 -10.715 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.209 -3.985 -13.203 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.005 -2.270 -12.901 1.00 0.00 H new ATOM 536 N LYS A 38 -2.202 -2.717 -12.710 1.00 0.00 N ATOM 537 CA LYS A 38 -0.841 -2.686 -13.216 1.00 0.00 C ATOM 538 C LYS A 38 -0.237 -4.089 -13.128 1.00 0.00 C ATOM 539 O LYS A 38 0.837 -4.342 -13.672 1.00 0.00 O ATOM 540 CB LYS A 38 -0.022 -1.618 -12.489 1.00 0.00 C ATOM 541 CG LYS A 38 -0.620 -0.226 -12.707 1.00 0.00 C ATOM 542 CD LYS A 38 0.419 0.731 -13.296 1.00 0.00 C ATOM 543 CE LYS A 38 -0.138 2.153 -13.393 1.00 0.00 C ATOM 544 NZ LYS A 38 -0.035 2.656 -14.780 1.00 0.00 N ATOM 0 H LYS A 38 -2.331 -2.265 -11.805 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.833 -2.399 -14.268 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.009 -1.842 -11.423 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.007 -1.636 -12.848 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.477 -0.295 -13.377 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.987 0.168 -11.760 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.314 0.729 -12.674 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.717 0.385 -14.286 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.180 2.165 -13.072 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.410 2.811 -12.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.417 3.622 -14.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.963 2.663 -15.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.578 2.037 -15.415 1.00 0.00 H new ATOM 558 N ARG A 39 -0.954 -4.965 -12.440 1.00 0.00 N ATOM 559 CA ARG A 39 -0.502 -6.336 -12.273 1.00 0.00 C ATOM 560 C ARG A 39 0.884 -6.363 -11.627 1.00 0.00 C ATOM 561 O ARG A 39 1.783 -7.053 -12.106 1.00 0.00 O ATOM 562 CB ARG A 39 -0.445 -7.064 -13.618 1.00 0.00 C ATOM 563 CG ARG A 39 -1.851 -7.330 -14.158 1.00 0.00 C ATOM 564 CD ARG A 39 -2.200 -8.817 -14.069 1.00 0.00 C ATOM 565 NE ARG A 39 -1.554 -9.556 -15.177 1.00 0.00 N ATOM 566 CZ ARG A 39 -1.699 -10.871 -15.389 1.00 0.00 C ATOM 567 NH1 ARG A 39 -2.470 -11.600 -14.570 1.00 0.00 N ATOM 568 NH2 ARG A 39 -1.075 -11.457 -16.419 1.00 0.00 N ATOM 0 H ARG A 39 -1.845 -4.752 -11.992 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.217 -6.845 -11.627 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.117 -6.466 -14.336 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.088 -8.007 -13.502 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.578 -6.748 -13.592 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.915 -6.999 -15.195 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.870 -9.220 -13.111 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.281 -8.949 -14.115 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.961 -9.031 -15.820 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.946 -11.154 -13.786 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.581 -12.601 -14.731 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.489 -10.902 -17.043 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.186 -12.458 -16.580 1.00 0.00 H new ATOM 582 N ILE A 40 1.014 -5.604 -10.549 1.00 0.00 N ATOM 583 CA ILE A 40 2.276 -5.533 -9.832 1.00 0.00 C ATOM 584 C ILE A 40 2.273 -6.561 -8.699 1.00 0.00 C ATOM 585 O ILE A 40 1.269 -6.725 -8.007 1.00 0.00 O ATOM 586 CB ILE A 40 2.545 -4.102 -9.362 1.00 0.00 C ATOM 587 CG1 ILE A 40 2.899 -3.195 -10.543 1.00 0.00 C ATOM 588 CG2 ILE A 40 3.622 -4.074 -8.276 1.00 0.00 C ATOM 589 CD1 ILE A 40 3.012 -1.735 -10.098 1.00 0.00 C ATOM 0 H ILE A 40 0.266 -5.033 -10.155 1.00 0.00 H new ATOM 0 HA ILE A 40 3.104 -5.789 -10.493 1.00 0.00 H new ATOM 0 HB ILE A 40 1.630 -3.711 -8.918 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.842 -3.518 -10.985 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.137 -3.285 -11.317 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.794 -3.045 -7.960 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.293 -4.666 -7.422 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.548 -4.491 -8.671 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.264 -1.112 -10.956 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.061 -1.408 -9.679 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.792 -1.644 -9.342 1.00 0.00 H new ATOM 601 N GLN A 41 3.407 -7.227 -8.544 1.00 0.00 N ATOM 602 CA GLN A 41 3.548 -8.235 -7.507 1.00 0.00 C ATOM 603 C GLN A 41 3.890 -7.576 -6.169 1.00 0.00 C ATOM 604 O GLN A 41 4.980 -7.033 -6.001 1.00 0.00 O ATOM 605 CB GLN A 41 4.603 -9.274 -7.891 1.00 0.00 C ATOM 606 CG GLN A 41 3.972 -10.656 -8.070 1.00 0.00 C ATOM 607 CD GLN A 41 3.913 -11.409 -6.739 1.00 0.00 C ATOM 608 OE1 GLN A 41 4.917 -11.653 -6.090 1.00 0.00 O ATOM 609 NE2 GLN A 41 2.685 -11.762 -6.371 1.00 0.00 N ATOM 0 H GLN A 41 4.238 -7.088 -9.120 1.00 0.00 H new ATOM 0 HA GLN A 41 2.596 -8.755 -7.402 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.096 -8.973 -8.816 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.372 -9.319 -7.120 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.966 -10.550 -8.477 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.550 -11.232 -8.793 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.888 -11.526 -6.962 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.540 -12.269 -5.498 1.00 0.00 H new ATOM 618 N TYR A 42 2.937 -7.646 -5.251 1.00 0.00 N ATOM 619 CA TYR A 42 3.123 -7.063 -3.933 1.00 0.00 C ATOM 620 C TYR A 42 2.442 -7.910 -2.857 1.00 0.00 C ATOM 621 O TYR A 42 1.867 -8.956 -3.157 1.00 0.00 O ATOM 622 CB TYR A 42 2.454 -5.688 -3.982 1.00 0.00 C ATOM 623 CG TYR A 42 0.929 -5.741 -4.094 1.00 0.00 C ATOM 624 CD1 TYR A 42 0.164 -6.002 -2.975 1.00 0.00 C ATOM 625 CD2 TYR A 42 0.319 -5.529 -5.313 1.00 0.00 C ATOM 626 CE1 TYR A 42 -1.271 -6.052 -3.081 1.00 0.00 C ATOM 627 CE2 TYR A 42 -1.116 -5.579 -5.419 1.00 0.00 C ATOM 628 CZ TYR A 42 -1.841 -5.839 -4.297 1.00 0.00 C ATOM 629 OH TYR A 42 -3.196 -5.886 -4.396 1.00 0.00 O ATOM 0 H TYR A 42 2.034 -8.098 -5.394 1.00 0.00 H new ATOM 0 HA TYR A 42 4.183 -7.004 -3.686 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.723 -5.132 -3.084 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.851 -5.132 -4.831 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.642 -6.169 -2.021 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.918 -5.325 -6.188 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.882 -6.254 -2.213 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.606 -5.414 -6.367 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.462 -5.714 -5.323 1.00 0.00 H new ATOM 639 N GLN A 43 2.528 -7.428 -1.626 1.00 0.00 N ATOM 640 CA GLN A 43 1.927 -8.128 -0.504 1.00 0.00 C ATOM 641 C GLN A 43 1.237 -7.135 0.434 1.00 0.00 C ATOM 642 O GLN A 43 1.857 -6.178 0.895 1.00 0.00 O ATOM 643 CB GLN A 43 2.971 -8.957 0.248 1.00 0.00 C ATOM 644 CG GLN A 43 2.318 -10.143 0.961 1.00 0.00 C ATOM 645 CD GLN A 43 3.374 -11.136 1.452 1.00 0.00 C ATOM 646 OE1 GLN A 43 4.320 -11.470 0.758 1.00 0.00 O ATOM 647 NE2 GLN A 43 3.161 -11.587 2.685 1.00 0.00 N ATOM 0 H GLN A 43 3.005 -6.560 -1.381 1.00 0.00 H new ATOM 0 HA GLN A 43 1.175 -8.815 -0.891 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.726 -9.318 -0.450 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.485 -8.329 0.975 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.729 -9.785 1.806 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.629 -10.645 0.282 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.349 -11.266 3.212 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.810 -12.253 3.104 1.00 0.00 H new ATOM 656 N LEU A 44 -0.036 -7.397 0.688 1.00 0.00 N ATOM 657 CA LEU A 44 -0.817 -6.538 1.562 1.00 0.00 C ATOM 658 C LEU A 44 -0.405 -6.786 3.014 1.00 0.00 C ATOM 659 O LEU A 44 -0.650 -7.863 3.557 1.00 0.00 O ATOM 660 CB LEU A 44 -2.313 -6.730 1.305 1.00 0.00 C ATOM 661 CG LEU A 44 -3.129 -5.451 1.106 1.00 0.00 C ATOM 662 CD1 LEU A 44 -3.623 -5.335 -0.337 1.00 0.00 C ATOM 663 CD2 LEU A 44 -4.278 -5.371 2.113 1.00 0.00 C ATOM 0 H LEU A 44 -0.547 -8.192 0.304 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.613 -5.489 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.432 -7.355 0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.738 -7.281 2.144 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.477 -4.598 1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.200 -4.417 -0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.769 -5.313 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.253 -6.192 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.842 -4.453 1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.937 -6.229 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.875 -5.374 3.126 1.00 0.00 H new ATOM 675 N VAL A 45 0.213 -5.773 3.603 1.00 0.00 N ATOM 676 CA VAL A 45 0.660 -5.868 4.982 1.00 0.00 C ATOM 677 C VAL A 45 -0.337 -5.145 5.888 1.00 0.00 C ATOM 678 O VAL A 45 -0.524 -3.934 5.772 1.00 0.00 O ATOM 679 CB VAL A 45 2.085 -5.325 5.108 1.00 0.00 C ATOM 680 CG1 VAL A 45 2.510 -5.235 6.575 1.00 0.00 C ATOM 681 CG2 VAL A 45 3.069 -6.176 4.303 1.00 0.00 C ATOM 0 H VAL A 45 0.415 -4.882 3.150 1.00 0.00 H new ATOM 0 HA VAL A 45 0.693 -6.909 5.302 1.00 0.00 H new ATOM 0 HB VAL A 45 2.097 -4.317 4.694 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.526 -4.846 6.636 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.834 -4.568 7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.473 -6.227 7.026 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.074 -5.769 4.410 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.052 -7.201 4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.783 -6.166 3.251 1.00 0.00 H new ATOM 691 N ASP A 46 -0.953 -5.917 6.772 1.00 0.00 N ATOM 692 CA ASP A 46 -1.927 -5.365 7.698 1.00 0.00 C ATOM 693 C ASP A 46 -1.201 -4.815 8.927 1.00 0.00 C ATOM 694 O ASP A 46 -0.725 -5.580 9.765 1.00 0.00 O ATOM 695 CB ASP A 46 -2.909 -6.439 8.169 1.00 0.00 C ATOM 696 CG ASP A 46 -4.015 -5.940 9.101 1.00 0.00 C ATOM 697 OD1 ASP A 46 -3.968 -4.740 9.447 1.00 0.00 O ATOM 698 OD2 ASP A 46 -4.883 -6.771 9.447 1.00 0.00 O ATOM 0 H ASP A 46 -0.796 -6.920 6.866 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.475 -4.577 7.181 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.371 -6.896 7.294 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.350 -7.222 8.680 1.00 0.00 H new ATOM 703 N ILE A 47 -1.139 -3.494 8.997 1.00 0.00 N ATOM 704 CA ILE A 47 -0.480 -2.833 10.110 1.00 0.00 C ATOM 705 C ILE A 47 -1.319 -3.016 11.376 1.00 0.00 C ATOM 706 O ILE A 47 -0.779 -3.279 12.450 1.00 0.00 O ATOM 707 CB ILE A 47 -0.191 -1.369 9.769 1.00 0.00 C ATOM 708 CG1 ILE A 47 -1.488 -0.563 9.673 1.00 0.00 C ATOM 709 CG2 ILE A 47 0.649 -1.258 8.496 1.00 0.00 C ATOM 710 CD1 ILE A 47 -1.196 0.914 9.403 1.00 0.00 C ATOM 0 H ILE A 47 -1.535 -2.863 8.300 1.00 0.00 H new ATOM 0 HA ILE A 47 0.491 -3.289 10.303 1.00 0.00 H new ATOM 0 HB ILE A 47 0.396 -0.938 10.580 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.113 -0.966 8.876 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.052 -0.662 10.601 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.840 -0.208 8.276 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.597 -1.777 8.639 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.110 -1.710 7.664 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.134 1.465 9.339 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.592 1.320 10.214 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.653 1.012 8.463 1.00 0.00 H new ATOM 722 N SER A 48 -2.625 -2.870 11.208 1.00 0.00 N ATOM 723 CA SER A 48 -3.543 -3.016 12.324 1.00 0.00 C ATOM 724 C SER A 48 -3.241 -4.308 13.086 1.00 0.00 C ATOM 725 O SER A 48 -3.149 -4.303 14.312 1.00 0.00 O ATOM 726 CB SER A 48 -4.997 -3.009 11.846 1.00 0.00 C ATOM 727 OG SER A 48 -5.830 -2.209 12.680 1.00 0.00 O ATOM 0 H SER A 48 -3.069 -2.652 10.316 1.00 0.00 H new ATOM 0 HA SER A 48 -3.405 -2.167 12.993 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.041 -2.634 10.824 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.377 -4.030 11.827 1.00 0.00 H new ATOM 0 HG SER A 48 -6.352 -1.592 12.126 1.00 0.00 H new ATOM 733 N GLN A 49 -3.095 -5.384 12.326 1.00 0.00 N ATOM 734 CA GLN A 49 -2.805 -6.681 12.914 1.00 0.00 C ATOM 735 C GLN A 49 -1.758 -6.540 14.021 1.00 0.00 C ATOM 736 O GLN A 49 -2.060 -6.744 15.195 1.00 0.00 O ATOM 737 CB GLN A 49 -2.345 -7.676 11.847 1.00 0.00 C ATOM 738 CG GLN A 49 -3.498 -8.579 11.405 1.00 0.00 C ATOM 739 CD GLN A 49 -3.240 -10.033 11.804 1.00 0.00 C ATOM 740 OE1 GLN A 49 -2.178 -10.393 12.284 1.00 0.00 O ATOM 741 NE2 GLN A 49 -4.268 -10.847 11.579 1.00 0.00 N ATOM 0 H GLN A 49 -3.172 -5.384 11.309 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.722 -7.071 13.356 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.951 -7.135 10.986 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.531 -8.286 12.240 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.428 -8.234 11.856 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.624 -8.512 10.324 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.130 -10.481 11.174 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.195 -11.837 11.811 1.00 0.00 H new ATOM 750 N ASP A 50 -0.549 -6.192 13.606 1.00 0.00 N ATOM 751 CA ASP A 50 0.545 -6.022 14.547 1.00 0.00 C ATOM 752 C ASP A 50 0.819 -4.529 14.739 1.00 0.00 C ATOM 753 O ASP A 50 1.283 -3.856 13.821 1.00 0.00 O ATOM 754 CB ASP A 50 1.827 -6.674 14.026 1.00 0.00 C ATOM 755 CG ASP A 50 2.457 -7.704 14.966 1.00 0.00 C ATOM 756 OD1 ASP A 50 1.838 -7.962 16.022 1.00 0.00 O ATOM 757 OD2 ASP A 50 3.542 -8.211 14.608 1.00 0.00 O ATOM 0 H ASP A 50 -0.303 -6.023 12.631 1.00 0.00 H new ATOM 0 HA ASP A 50 0.257 -6.493 15.487 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.609 -7.158 13.074 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.559 -5.892 13.826 1.00 0.00 H new ATOM 762 N ASN A 51 0.519 -4.055 15.940 1.00 0.00 N ATOM 763 CA ASN A 51 0.727 -2.654 16.264 1.00 0.00 C ATOM 764 C ASN A 51 2.143 -2.245 15.856 1.00 0.00 C ATOM 765 O ASN A 51 2.364 -1.119 15.410 1.00 0.00 O ATOM 766 CB ASN A 51 0.578 -2.408 17.767 1.00 0.00 C ATOM 767 CG ASN A 51 -0.896 -2.321 18.166 1.00 0.00 C ATOM 768 OD1 ASN A 51 -1.687 -3.216 17.916 1.00 0.00 O ATOM 769 ND2 ASN A 51 -1.220 -1.197 18.798 1.00 0.00 N ATOM 0 H ASN A 51 0.134 -4.616 16.700 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.020 -2.070 15.727 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.061 -3.213 18.320 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.087 -1.484 18.040 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.180 -1.043 19.106 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.508 -0.488 18.975 1.00 0.00 H new ATOM 776 N ALA A 52 3.066 -3.181 16.022 1.00 0.00 N ATOM 777 CA ALA A 52 4.455 -2.932 15.676 1.00 0.00 C ATOM 778 C ALA A 52 4.527 -2.333 14.270 1.00 0.00 C ATOM 779 O ALA A 52 5.106 -1.266 14.074 1.00 0.00 O ATOM 780 CB ALA A 52 5.252 -4.232 15.797 1.00 0.00 C ATOM 0 H ALA A 52 2.879 -4.113 16.392 1.00 0.00 H new ATOM 0 HA ALA A 52 4.898 -2.212 16.364 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.294 -4.045 15.537 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.194 -4.601 16.821 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.837 -4.978 15.119 1.00 0.00 H new ATOM 786 N LEU A 53 3.929 -3.047 13.326 1.00 0.00 N ATOM 787 CA LEU A 53 3.918 -2.599 11.944 1.00 0.00 C ATOM 788 C LEU A 53 3.697 -1.086 11.904 1.00 0.00 C ATOM 789 O LEU A 53 4.507 -0.351 11.339 1.00 0.00 O ATOM 790 CB LEU A 53 2.891 -3.392 11.132 1.00 0.00 C ATOM 791 CG LEU A 53 3.236 -4.858 10.864 1.00 0.00 C ATOM 792 CD1 LEU A 53 1.975 -5.724 10.846 1.00 0.00 C ATOM 793 CD2 LEU A 53 4.050 -5.003 9.576 1.00 0.00 C ATOM 0 H LEU A 53 3.449 -3.932 13.492 1.00 0.00 H new ATOM 0 HA LEU A 53 4.882 -2.793 11.473 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.936 -3.354 11.655 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.750 -2.892 10.174 1.00 0.00 H new ATOM 0 HG LEU A 53 3.861 -5.217 11.682 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.249 -6.761 10.653 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.472 -5.654 11.811 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.304 -5.374 10.061 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.282 -6.055 9.409 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.471 -4.621 8.735 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.977 -4.437 9.666 1.00 0.00 H new ATOM 805 N ARG A 54 2.597 -0.664 12.511 1.00 0.00 N ATOM 806 CA ARG A 54 2.260 0.749 12.551 1.00 0.00 C ATOM 807 C ARG A 54 3.521 1.590 12.759 1.00 0.00 C ATOM 808 O ARG A 54 3.701 2.616 12.105 1.00 0.00 O ATOM 809 CB ARG A 54 1.266 1.045 13.676 1.00 0.00 C ATOM 810 CG ARG A 54 0.505 2.345 13.407 1.00 0.00 C ATOM 811 CD ARG A 54 -0.836 2.358 14.144 1.00 0.00 C ATOM 812 NE ARG A 54 -1.564 3.611 13.847 1.00 0.00 N ATOM 813 CZ ARG A 54 -2.277 3.820 12.732 1.00 0.00 C ATOM 814 NH1 ARG A 54 -2.360 2.861 11.801 1.00 0.00 N ATOM 815 NH2 ARG A 54 -2.905 4.990 12.547 1.00 0.00 N ATOM 0 H ARG A 54 1.928 -1.276 12.979 1.00 0.00 H new ATOM 0 HA ARG A 54 1.800 1.008 11.597 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.561 0.219 13.770 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.797 1.120 14.625 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.107 3.196 13.726 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.336 2.457 12.336 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.435 1.499 13.841 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.671 2.269 15.218 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.520 4.363 14.534 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.881 1.972 11.941 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.903 3.020 10.952 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.840 5.721 13.255 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.448 5.149 11.698 1.00 0.00 H new ATOM 829 N ASP A 55 4.361 1.124 13.671 1.00 0.00 N ATOM 830 CA ASP A 55 5.600 1.820 13.973 1.00 0.00 C ATOM 831 C ASP A 55 6.634 1.504 12.891 1.00 0.00 C ATOM 832 O ASP A 55 7.108 2.404 12.199 1.00 0.00 O ATOM 833 CB ASP A 55 6.171 1.370 15.319 1.00 0.00 C ATOM 834 CG ASP A 55 7.065 2.396 16.018 1.00 0.00 C ATOM 835 OD1 ASP A 55 7.261 3.477 15.422 1.00 0.00 O ATOM 836 OD2 ASP A 55 7.531 2.077 17.133 1.00 0.00 O ATOM 0 H ASP A 55 4.208 0.272 14.211 1.00 0.00 H new ATOM 0 HA ASP A 55 5.386 2.888 14.012 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.343 1.120 15.982 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.744 0.456 15.166 1.00 0.00 H new ATOM 841 N GLU A 56 6.954 0.223 12.778 1.00 0.00 N ATOM 842 CA GLU A 56 7.923 -0.222 11.792 1.00 0.00 C ATOM 843 C GLU A 56 7.756 0.564 10.490 1.00 0.00 C ATOM 844 O GLU A 56 8.740 1.004 9.896 1.00 0.00 O ATOM 845 CB GLU A 56 7.800 -1.727 11.543 1.00 0.00 C ATOM 846 CG GLU A 56 8.973 -2.484 12.169 1.00 0.00 C ATOM 847 CD GLU A 56 10.254 -2.277 11.359 1.00 0.00 C ATOM 848 OE1 GLU A 56 10.863 -1.198 11.526 1.00 0.00 O ATOM 849 OE2 GLU A 56 10.596 -3.202 10.591 1.00 0.00 O ATOM 0 H GLU A 56 6.559 -0.521 13.353 1.00 0.00 H new ATOM 0 HA GLU A 56 8.923 -0.032 12.183 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.862 -2.093 11.961 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.768 -1.920 10.471 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.126 -2.142 13.193 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.739 -3.547 12.220 1.00 0.00 H new ATOM 856 N MET A 57 6.504 0.718 10.086 1.00 0.00 N ATOM 857 CA MET A 57 6.196 1.444 8.865 1.00 0.00 C ATOM 858 C MET A 57 6.497 2.936 9.024 1.00 0.00 C ATOM 859 O MET A 57 7.113 3.545 8.150 1.00 0.00 O ATOM 860 CB MET A 57 4.718 1.256 8.519 1.00 0.00 C ATOM 861 CG MET A 57 4.404 1.821 7.132 1.00 0.00 C ATOM 862 SD MET A 57 4.163 3.587 7.233 1.00 0.00 S ATOM 863 CE MET A 57 2.667 3.641 8.204 1.00 0.00 C ATOM 0 H MET A 57 5.691 0.353 10.582 1.00 0.00 H new ATOM 0 HA MET A 57 6.820 1.050 8.063 1.00 0.00 H new ATOM 0 HB2 MET A 57 4.466 0.196 8.550 1.00 0.00 H new ATOM 0 HB3 MET A 57 4.100 1.753 9.267 1.00 0.00 H new ATOM 0 HG2 MET A 57 5.220 1.596 6.445 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.509 1.346 6.731 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.960 4.332 7.745 1.00 0.00 H new ATOM 0 HE2 MET A 57 2.225 2.646 8.247 1.00 0.00 H new ATOM 0 HE3 MET A 57 2.901 3.978 9.214 1.00 0.00 H new ATOM 873 N ARG A 58 6.050 3.481 10.146 1.00 0.00 N ATOM 874 CA ARG A 58 6.264 4.890 10.430 1.00 0.00 C ATOM 875 C ARG A 58 7.755 5.226 10.355 1.00 0.00 C ATOM 876 O ARG A 58 8.128 6.315 9.922 1.00 0.00 O ATOM 877 CB ARG A 58 5.734 5.259 11.817 1.00 0.00 C ATOM 878 CG ARG A 58 4.318 5.831 11.729 1.00 0.00 C ATOM 879 CD ARG A 58 3.452 5.334 12.888 1.00 0.00 C ATOM 880 NE ARG A 58 2.083 5.043 12.409 1.00 0.00 N ATOM 881 CZ ARG A 58 1.113 5.962 12.302 1.00 0.00 C ATOM 882 NH1 ARG A 58 1.357 7.236 12.640 1.00 0.00 N ATOM 883 NH2 ARG A 58 -0.100 5.608 11.857 1.00 0.00 N ATOM 0 H ARG A 58 5.541 2.973 10.869 1.00 0.00 H new ATOM 0 HA ARG A 58 5.720 5.466 9.681 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.734 4.377 12.457 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.397 5.989 12.281 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.361 6.920 11.743 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.864 5.542 10.781 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.892 4.437 13.323 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.418 6.086 13.676 1.00 0.00 H new ATOM 0 HE ARG A 58 1.863 4.083 12.144 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.281 7.506 12.978 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.619 7.936 12.559 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.286 4.639 11.599 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.838 6.308 11.776 1.00 0.00 H new ATOM 897 N THR A 59 8.566 4.270 10.783 1.00 0.00 N ATOM 898 CA THR A 59 10.008 4.451 10.770 1.00 0.00 C ATOM 899 C THR A 59 10.553 4.292 9.349 1.00 0.00 C ATOM 900 O THR A 59 11.242 5.175 8.842 1.00 0.00 O ATOM 901 CB THR A 59 10.617 3.465 11.769 1.00 0.00 C ATOM 902 OG1 THR A 59 10.477 4.116 13.029 1.00 0.00 O ATOM 903 CG2 THR A 59 12.130 3.314 11.594 1.00 0.00 C ATOM 0 H THR A 59 8.252 3.368 11.141 1.00 0.00 H new ATOM 0 HA THR A 59 10.283 5.460 11.078 1.00 0.00 H new ATOM 0 HB THR A 59 10.139 2.492 11.656 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.845 3.545 13.735 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.512 2.603 12.327 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.346 2.950 10.589 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.612 4.281 11.741 1.00 0.00 H new ATOM 911 N LEU A 60 10.223 3.159 8.747 1.00 0.00 N ATOM 912 CA LEU A 60 10.670 2.872 7.395 1.00 0.00 C ATOM 913 C LEU A 60 10.368 4.074 6.497 1.00 0.00 C ATOM 914 O LEU A 60 11.260 4.591 5.826 1.00 0.00 O ATOM 915 CB LEU A 60 10.059 1.562 6.895 1.00 0.00 C ATOM 916 CG LEU A 60 10.528 0.289 7.604 1.00 0.00 C ATOM 917 CD1 LEU A 60 9.504 -0.836 7.444 1.00 0.00 C ATOM 918 CD2 LEU A 60 11.918 -0.128 7.119 1.00 0.00 C ATOM 0 H LEU A 60 9.651 2.429 9.171 1.00 0.00 H new ATOM 0 HA LEU A 60 11.749 2.721 7.375 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.975 1.630 6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.279 1.464 5.832 1.00 0.00 H new ATOM 0 HG LEU A 60 10.609 0.502 8.670 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.861 -1.729 7.957 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.552 -0.526 7.876 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.368 -1.056 6.385 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.228 -1.035 7.638 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.887 -0.317 6.046 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.631 0.670 7.327 1.00 0.00 H new ATOM 930 N ALA A 61 9.108 4.482 6.513 1.00 0.00 N ATOM 931 CA ALA A 61 8.677 5.613 5.709 1.00 0.00 C ATOM 932 C ALA A 61 9.537 6.832 6.050 1.00 0.00 C ATOM 933 O ALA A 61 10.158 7.424 5.168 1.00 0.00 O ATOM 934 CB ALA A 61 7.187 5.867 5.941 1.00 0.00 C ATOM 0 H ALA A 61 8.371 4.050 7.070 1.00 0.00 H new ATOM 0 HA ALA A 61 8.809 5.402 4.648 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.864 6.715 5.338 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.618 4.982 5.656 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.015 6.085 6.995 1.00 0.00 H new ATOM 940 N GLY A 62 9.544 7.172 7.330 1.00 0.00 N ATOM 941 CA GLY A 62 10.316 8.310 7.798 1.00 0.00 C ATOM 942 C GLY A 62 9.408 9.368 8.427 1.00 0.00 C ATOM 943 O GLY A 62 9.597 10.563 8.208 1.00 0.00 O ATOM 0 H GLY A 62 9.027 6.679 8.058 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.053 7.978 8.529 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.867 8.747 6.965 1.00 0.00 H new ATOM 947 N ASN A 63 8.441 8.890 9.197 1.00 0.00 N ATOM 948 CA ASN A 63 7.502 9.780 9.859 1.00 0.00 C ATOM 949 C ASN A 63 6.713 8.992 10.907 1.00 0.00 C ATOM 950 O ASN A 63 6.130 7.954 10.599 1.00 0.00 O ATOM 951 CB ASN A 63 6.505 10.370 8.861 1.00 0.00 C ATOM 952 CG ASN A 63 6.007 11.740 9.328 1.00 0.00 C ATOM 953 OD1 ASN A 63 6.737 12.532 9.901 1.00 0.00 O ATOM 954 ND2 ASN A 63 4.728 11.973 9.051 1.00 0.00 N ATOM 0 H ASN A 63 8.288 7.898 9.377 1.00 0.00 H new ATOM 0 HA ASN A 63 8.070 10.588 10.320 1.00 0.00 H new ATOM 0 HB2 ASN A 63 6.977 10.465 7.883 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.659 9.693 8.743 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.301 12.859 9.321 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.174 11.266 8.568 1.00 0.00 H new ATOM 961 N PRO A 64 6.718 9.532 12.155 1.00 0.00 N ATOM 962 CA PRO A 64 6.010 8.891 13.250 1.00 0.00 C ATOM 963 C PRO A 64 4.500 9.106 13.127 1.00 0.00 C ATOM 964 O PRO A 64 3.712 8.261 13.547 1.00 0.00 O ATOM 965 CB PRO A 64 6.596 9.505 14.511 1.00 0.00 C ATOM 966 CG PRO A 64 7.275 10.792 14.071 1.00 0.00 C ATOM 967 CD PRO A 64 7.397 10.761 12.556 1.00 0.00 C ATOM 0 HA PRO A 64 6.135 7.808 13.255 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.817 9.706 15.246 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.310 8.828 14.980 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.695 11.658 14.389 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.259 10.881 14.531 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.932 11.636 12.103 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.441 10.757 12.243 1.00 0.00 H new ATOM 975 N LYS A 65 4.142 10.243 12.548 1.00 0.00 N ATOM 976 CA LYS A 65 2.741 10.580 12.364 1.00 0.00 C ATOM 977 C LYS A 65 2.339 10.297 10.915 1.00 0.00 C ATOM 978 O LYS A 65 1.711 11.133 10.267 1.00 0.00 O ATOM 979 CB LYS A 65 2.474 12.021 12.806 1.00 0.00 C ATOM 980 CG LYS A 65 2.130 12.082 14.296 1.00 0.00 C ATOM 981 CD LYS A 65 0.615 12.100 14.509 1.00 0.00 C ATOM 982 CE LYS A 65 0.055 10.679 14.584 1.00 0.00 C ATOM 983 NZ LYS A 65 -0.740 10.499 15.819 1.00 0.00 N ATOM 0 H LYS A 65 4.798 10.942 12.200 1.00 0.00 H new ATOM 0 HA LYS A 65 2.112 9.955 12.998 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.352 12.635 12.606 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.654 12.438 12.222 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.563 11.223 14.808 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.574 12.974 14.739 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.380 12.636 15.428 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.136 12.641 13.693 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.568 10.481 13.712 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.872 9.958 14.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.113 9.529 15.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.136 10.668 16.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.531 11.174 15.824 1.00 0.00 H new ATOM 997 N ALA A 66 2.717 9.116 10.449 1.00 0.00 N ATOM 998 CA ALA A 66 2.404 8.713 9.089 1.00 0.00 C ATOM 999 C ALA A 66 1.149 7.838 9.097 1.00 0.00 C ATOM 1000 O ALA A 66 0.676 7.435 10.159 1.00 0.00 O ATOM 1001 CB ALA A 66 3.610 7.996 8.478 1.00 0.00 C ATOM 0 H ALA A 66 3.237 8.425 10.989 1.00 0.00 H new ATOM 0 HA ALA A 66 2.195 9.585 8.469 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.375 7.694 7.457 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.467 8.669 8.469 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.848 7.114 9.072 1.00 0.00 H new ATOM 1007 N THR A 67 0.645 7.571 7.901 1.00 0.00 N ATOM 1008 CA THR A 67 -0.546 6.751 7.758 1.00 0.00 C ATOM 1009 C THR A 67 -0.553 6.055 6.395 1.00 0.00 C ATOM 1010 O THR A 67 0.141 6.480 5.473 1.00 0.00 O ATOM 1011 CB THR A 67 -1.766 7.645 7.989 1.00 0.00 C ATOM 1012 OG1 THR A 67 -1.571 8.737 7.094 1.00 0.00 O ATOM 1013 CG2 THR A 67 -1.762 8.295 9.375 1.00 0.00 C ATOM 0 H THR A 67 1.039 7.908 7.023 1.00 0.00 H new ATOM 0 HA THR A 67 -0.566 5.951 8.498 1.00 0.00 H new ATOM 0 HB THR A 67 -2.675 7.056 7.866 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.318 9.365 7.177 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.649 8.919 9.487 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.765 7.519 10.141 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.869 8.911 9.486 1.00 0.00 H new ATOM 1021 N PRO A 68 -1.367 4.968 6.310 1.00 0.00 N ATOM 1022 CA PRO A 68 -1.474 4.209 5.075 1.00 0.00 C ATOM 1023 C PRO A 68 -2.311 4.961 4.039 1.00 0.00 C ATOM 1024 O PRO A 68 -2.980 5.940 4.368 1.00 0.00 O ATOM 1025 CB PRO A 68 -2.088 2.880 5.483 1.00 0.00 C ATOM 1026 CG PRO A 68 -2.729 3.116 6.841 1.00 0.00 C ATOM 1027 CD PRO A 68 -2.204 4.437 7.381 1.00 0.00 C ATOM 0 HA PRO A 68 -0.510 4.056 4.591 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.828 2.552 4.754 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.329 2.100 5.540 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.815 3.145 6.751 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.488 2.301 7.524 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.020 5.119 7.621 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.631 4.291 8.296 1.00 0.00 H new ATOM 1035 N PRO A 69 -2.245 4.463 2.776 1.00 0.00 N ATOM 1036 CA PRO A 69 -1.429 3.301 2.471 1.00 0.00 C ATOM 1037 C PRO A 69 0.057 3.666 2.442 1.00 0.00 C ATOM 1038 O PRO A 69 0.421 4.816 2.682 1.00 0.00 O ATOM 1039 CB PRO A 69 -1.943 2.798 1.132 1.00 0.00 C ATOM 1040 CG PRO A 69 -2.708 3.959 0.517 1.00 0.00 C ATOM 1041 CD PRO A 69 -2.944 4.992 1.607 1.00 0.00 C ATOM 0 HA PRO A 69 -1.507 2.523 3.230 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.119 2.488 0.489 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.589 1.930 1.263 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -2.142 4.395 -0.306 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.657 3.615 0.105 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.553 5.968 1.319 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.008 5.121 1.806 1.00 0.00 H new ATOM 1049 N GLN A 70 0.874 2.667 2.145 1.00 0.00 N ATOM 1050 CA GLN A 70 2.311 2.869 2.081 1.00 0.00 C ATOM 1051 C GLN A 70 2.959 1.799 1.199 1.00 0.00 C ATOM 1052 O GLN A 70 2.954 0.619 1.544 1.00 0.00 O ATOM 1053 CB GLN A 70 2.928 2.871 3.481 1.00 0.00 C ATOM 1054 CG GLN A 70 3.670 4.182 3.751 1.00 0.00 C ATOM 1055 CD GLN A 70 2.812 5.137 4.583 1.00 0.00 C ATOM 1056 OE1 GLN A 70 1.792 4.770 5.141 1.00 0.00 O ATOM 1057 NE2 GLN A 70 3.282 6.381 4.634 1.00 0.00 N ATOM 0 H GLN A 70 0.568 1.715 1.946 1.00 0.00 H new ATOM 0 HA GLN A 70 2.501 3.845 1.634 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.146 2.731 4.227 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.617 2.032 3.580 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.603 3.975 4.276 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.935 4.655 2.806 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.143 6.621 4.143 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.781 7.094 5.164 1.00 0.00 H new ATOM 1066 N ILE A 71 3.501 2.251 0.078 1.00 0.00 N ATOM 1067 CA ILE A 71 4.151 1.348 -0.856 1.00 0.00 C ATOM 1068 C ILE A 71 5.623 1.191 -0.467 1.00 0.00 C ATOM 1069 O ILE A 71 6.294 2.174 -0.156 1.00 0.00 O ATOM 1070 CB ILE A 71 3.943 1.823 -2.295 1.00 0.00 C ATOM 1071 CG1 ILE A 71 2.458 2.043 -2.590 1.00 0.00 C ATOM 1072 CG2 ILE A 71 4.588 0.857 -3.291 1.00 0.00 C ATOM 1073 CD1 ILE A 71 2.142 3.533 -2.736 1.00 0.00 C ATOM 0 H ILE A 71 3.503 3.231 -0.205 1.00 0.00 H new ATOM 0 HA ILE A 71 3.699 0.357 -0.804 1.00 0.00 H new ATOM 0 HB ILE A 71 4.441 2.785 -2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.184 1.518 -3.505 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.857 1.617 -1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.425 1.219 -4.306 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.659 0.794 -3.096 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.141 -0.131 -3.182 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.080 3.661 -2.945 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.394 4.051 -1.811 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.726 3.950 -3.556 1.00 0.00 H new ATOM 1085 N VAL A 72 6.081 -0.051 -0.497 1.00 0.00 N ATOM 1086 CA VAL A 72 7.461 -0.349 -0.152 1.00 0.00 C ATOM 1087 C VAL A 72 7.995 -1.432 -1.091 1.00 0.00 C ATOM 1088 O VAL A 72 7.298 -2.402 -1.386 1.00 0.00 O ATOM 1089 CB VAL A 72 7.559 -0.737 1.325 1.00 0.00 C ATOM 1090 CG1 VAL A 72 9.003 -0.644 1.822 1.00 0.00 C ATOM 1091 CG2 VAL A 72 6.628 0.124 2.181 1.00 0.00 C ATOM 0 H VAL A 72 5.521 -0.864 -0.755 1.00 0.00 H new ATOM 0 HA VAL A 72 8.087 0.534 -0.285 1.00 0.00 H new ATOM 0 HB VAL A 72 7.238 -1.774 1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.044 -0.925 2.874 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.632 -1.319 1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.363 0.378 1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.717 -0.172 3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.904 1.173 2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.598 -0.015 1.851 1.00 0.00 H new ATOM 1101 N ASN A 73 9.227 -1.231 -1.535 1.00 0.00 N ATOM 1102 CA ASN A 73 9.863 -2.178 -2.435 1.00 0.00 C ATOM 1103 C ASN A 73 10.948 -2.945 -1.677 1.00 0.00 C ATOM 1104 O ASN A 73 12.019 -2.405 -1.404 1.00 0.00 O ATOM 1105 CB ASN A 73 10.526 -1.460 -3.612 1.00 0.00 C ATOM 1106 CG ASN A 73 9.577 -1.380 -4.810 1.00 0.00 C ATOM 1107 OD1 ASN A 73 8.613 -0.633 -4.823 1.00 0.00 O ATOM 1108 ND2 ASN A 73 9.904 -2.190 -5.813 1.00 0.00 N ATOM 0 H ASN A 73 9.802 -0.426 -1.288 1.00 0.00 H new ATOM 0 HA ASN A 73 9.095 -2.853 -2.812 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.822 -0.455 -3.310 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.436 -1.987 -3.899 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.334 -2.211 -6.658 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.725 -2.790 -5.737 1.00 0.00 H new ATOM 1115 N GLY A 74 10.634 -4.192 -1.358 1.00 0.00 N ATOM 1116 CA GLY A 74 11.569 -5.039 -0.637 1.00 0.00 C ATOM 1117 C GLY A 74 12.035 -4.365 0.655 1.00 0.00 C ATOM 1118 O GLY A 74 11.366 -4.456 1.683 1.00 0.00 O ATOM 0 H GLY A 74 9.745 -4.636 -1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.096 -5.993 -0.404 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.430 -5.257 -1.269 1.00 0.00 H new ATOM 1122 N ASN A 75 13.179 -3.703 0.560 1.00 0.00 N ATOM 1123 CA ASN A 75 13.742 -3.014 1.708 1.00 0.00 C ATOM 1124 C ASN A 75 13.747 -1.507 1.442 1.00 0.00 C ATOM 1125 O ASN A 75 13.996 -0.713 2.348 1.00 0.00 O ATOM 1126 CB ASN A 75 15.186 -3.453 1.961 1.00 0.00 C ATOM 1127 CG ASN A 75 16.018 -3.364 0.680 1.00 0.00 C ATOM 1128 OD1 ASN A 75 15.951 -4.210 -0.195 1.00 0.00 O ATOM 1129 ND2 ASN A 75 16.805 -2.293 0.621 1.00 0.00 N ATOM 0 H ASN A 75 13.731 -3.629 -0.295 1.00 0.00 H new ATOM 0 HA ASN A 75 13.133 -3.258 2.578 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.631 -2.825 2.732 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.198 -4.476 2.337 1.00 0.00 H new ATOM 0 HD21 ASN A 75 17.401 -2.142 -0.193 1.00 0.00 H new ATOM 0 HD22 ASN A 75 16.813 -1.623 1.390 1.00 0.00 H new ATOM 1136 N HIS A 76 13.468 -1.158 0.194 1.00 0.00 N ATOM 1137 CA HIS A 76 13.437 0.239 -0.203 1.00 0.00 C ATOM 1138 C HIS A 76 12.045 0.817 0.061 1.00 0.00 C ATOM 1139 O HIS A 76 11.054 0.088 0.053 1.00 0.00 O ATOM 1140 CB HIS A 76 13.879 0.400 -1.659 1.00 0.00 C ATOM 1141 CG HIS A 76 15.062 -0.458 -2.040 1.00 0.00 C ATOM 1142 ND1 HIS A 76 16.370 -0.017 -1.943 1.00 0.00 N ATOM 1143 CD2 HIS A 76 15.120 -1.734 -2.518 1.00 0.00 C ATOM 1144 CE1 HIS A 76 17.171 -0.991 -2.348 1.00 0.00 C ATOM 1145 NE2 HIS A 76 16.394 -2.055 -2.704 1.00 0.00 N ATOM 0 H HIS A 76 13.261 -1.819 -0.555 1.00 0.00 H new ATOM 0 HA HIS A 76 14.148 0.807 0.397 1.00 0.00 H new ATOM 0 HB2 HIS A 76 13.041 0.156 -2.312 1.00 0.00 H new ATOM 0 HB3 HIS A 76 14.129 1.446 -1.839 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.273 -2.375 -2.712 1.00 0.00 H new ATOM 0 HE1 HIS A 76 18.249 -0.950 -2.389 1.00 0.00 H new ATOM 0 HE2 HIS A 76 16.736 -2.949 -3.055 1.00 0.00 H new ATOM 1153 N TYR A 77 12.014 2.122 0.289 1.00 0.00 N ATOM 1154 CA TYR A 77 10.760 2.806 0.555 1.00 0.00 C ATOM 1155 C TYR A 77 10.348 3.676 -0.634 1.00 0.00 C ATOM 1156 O TYR A 77 11.123 4.514 -1.093 1.00 0.00 O ATOM 1157 CB TYR A 77 11.019 3.706 1.765 1.00 0.00 C ATOM 1158 CG TYR A 77 9.864 4.653 2.095 1.00 0.00 C ATOM 1159 CD1 TYR A 77 8.591 4.151 2.277 1.00 0.00 C ATOM 1160 CD2 TYR A 77 10.094 6.008 2.211 1.00 0.00 C ATOM 1161 CE1 TYR A 77 7.504 5.042 2.588 1.00 0.00 C ATOM 1162 CE2 TYR A 77 9.007 6.900 2.521 1.00 0.00 C ATOM 1163 CZ TYR A 77 7.765 6.373 2.694 1.00 0.00 C ATOM 1164 OH TYR A 77 6.738 7.214 2.988 1.00 0.00 O ATOM 0 H TYR A 77 12.838 2.724 0.295 1.00 0.00 H new ATOM 0 HA TYR A 77 9.960 2.087 0.733 1.00 0.00 H new ATOM 0 HB2 TYR A 77 11.221 3.080 2.634 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.917 4.295 1.581 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.411 3.090 2.186 1.00 0.00 H new ATOM 0 HD2 TYR A 77 11.090 6.400 2.069 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.504 4.662 2.734 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.174 7.963 2.614 1.00 0.00 H new ATOM 0 HH TYR A 77 7.072 8.134 3.033 1.00 0.00 H new ATOM 1174 N CYS A 78 9.128 3.449 -1.097 1.00 0.00 N ATOM 1175 CA CYS A 78 8.603 4.202 -2.224 1.00 0.00 C ATOM 1176 C CYS A 78 8.030 5.519 -1.696 1.00 0.00 C ATOM 1177 O CYS A 78 8.556 6.591 -1.989 1.00 0.00 O ATOM 1178 CB CYS A 78 7.561 3.399 -3.005 1.00 0.00 C ATOM 1179 SG CYS A 78 8.210 1.729 -3.378 1.00 0.00 S ATOM 0 H CYS A 78 8.488 2.754 -0.713 1.00 0.00 H new ATOM 0 HA CYS A 78 9.406 4.413 -2.930 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.641 3.320 -2.425 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.310 3.916 -3.931 1.00 0.00 H new ATOM 0 HG CYS A 78 7.723 0.874 -2.528 1.00 0.00 H new ATOM 1185 N GLY A 79 6.958 5.395 -0.926 1.00 0.00 N ATOM 1186 CA GLY A 79 6.308 6.562 -0.355 1.00 0.00 C ATOM 1187 C GLY A 79 4.888 6.227 0.106 1.00 0.00 C ATOM 1188 O GLY A 79 4.640 5.141 0.628 1.00 0.00 O ATOM 0 H GLY A 79 6.524 4.504 -0.685 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.891 6.931 0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.275 7.363 -1.094 1.00 0.00 H new ATOM 1192 N ASP A 80 3.992 7.181 -0.102 1.00 0.00 N ATOM 1193 CA ASP A 80 2.604 7.001 0.286 1.00 0.00 C ATOM 1194 C ASP A 80 1.705 7.224 -0.932 1.00 0.00 C ATOM 1195 O ASP A 80 2.188 7.571 -2.009 1.00 0.00 O ATOM 1196 CB ASP A 80 2.198 8.009 1.363 1.00 0.00 C ATOM 1197 CG ASP A 80 2.156 9.467 0.901 1.00 0.00 C ATOM 1198 OD1 ASP A 80 3.090 9.858 0.169 1.00 0.00 O ATOM 1199 OD2 ASP A 80 1.190 10.158 1.291 1.00 0.00 O ATOM 0 H ASP A 80 4.201 8.081 -0.534 1.00 0.00 H new ATOM 0 HA ASP A 80 2.492 5.990 0.677 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.214 7.735 1.743 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.895 7.928 2.197 1.00 0.00 H new ATOM 1204 N TYR A 81 0.414 7.014 -0.721 1.00 0.00 N ATOM 1205 CA TYR A 81 -0.556 7.187 -1.789 1.00 0.00 C ATOM 1206 C TYR A 81 -0.280 8.469 -2.578 1.00 0.00 C ATOM 1207 O TYR A 81 -0.416 8.491 -3.800 1.00 0.00 O ATOM 1208 CB TYR A 81 -1.920 7.308 -1.104 1.00 0.00 C ATOM 1209 CG TYR A 81 -3.071 7.619 -2.062 1.00 0.00 C ATOM 1210 CD1 TYR A 81 -3.380 8.929 -2.368 1.00 0.00 C ATOM 1211 CD2 TYR A 81 -3.802 6.589 -2.620 1.00 0.00 C ATOM 1212 CE1 TYR A 81 -4.464 9.221 -3.269 1.00 0.00 C ATOM 1213 CE2 TYR A 81 -4.886 6.882 -3.522 1.00 0.00 C ATOM 1214 CZ TYR A 81 -5.164 8.183 -3.802 1.00 0.00 C ATOM 1215 OH TYR A 81 -6.188 8.460 -4.653 1.00 0.00 O ATOM 0 H TYR A 81 0.017 6.726 0.173 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.511 6.351 -2.488 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.137 6.376 -0.582 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.868 8.092 -0.348 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.809 9.735 -1.931 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.561 5.564 -2.380 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.716 10.242 -3.517 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.465 6.086 -3.966 1.00 0.00 H new ATOM 0 HH TYR A 81 -6.743 7.661 -4.768 1.00 0.00 H new ATOM 1225 N GLU A 82 0.102 9.505 -1.847 1.00 0.00 N ATOM 1226 CA GLU A 82 0.398 10.787 -2.463 1.00 0.00 C ATOM 1227 C GLU A 82 1.479 10.624 -3.534 1.00 0.00 C ATOM 1228 O GLU A 82 1.211 10.793 -4.722 1.00 0.00 O ATOM 1229 CB GLU A 82 0.818 11.817 -1.412 1.00 0.00 C ATOM 1230 CG GLU A 82 -0.372 12.233 -0.545 1.00 0.00 C ATOM 1231 CD GLU A 82 -0.106 13.571 0.146 1.00 0.00 C ATOM 1232 OE1 GLU A 82 -0.329 14.607 -0.517 1.00 0.00 O ATOM 1233 OE2 GLU A 82 0.314 13.528 1.323 1.00 0.00 O ATOM 0 H GLU A 82 0.213 9.483 -0.833 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.509 11.156 -2.943 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.603 11.399 -0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.238 12.694 -1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.267 12.310 -1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.567 11.465 0.204 1.00 0.00 H new ATOM 1240 N LEU A 83 2.678 10.299 -3.074 1.00 0.00 N ATOM 1241 CA LEU A 83 3.801 10.111 -3.977 1.00 0.00 C ATOM 1242 C LEU A 83 3.373 9.206 -5.134 1.00 0.00 C ATOM 1243 O LEU A 83 3.688 9.480 -6.291 1.00 0.00 O ATOM 1244 CB LEU A 83 5.023 9.598 -3.213 1.00 0.00 C ATOM 1245 CG LEU A 83 6.180 10.587 -3.056 1.00 0.00 C ATOM 1246 CD1 LEU A 83 5.728 11.844 -2.310 1.00 0.00 C ATOM 1247 CD2 LEU A 83 7.382 9.922 -2.383 1.00 0.00 C ATOM 0 H LEU A 83 2.897 10.161 -2.087 1.00 0.00 H new ATOM 0 HA LEU A 83 4.104 11.063 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.701 9.286 -2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.397 8.709 -3.721 1.00 0.00 H new ATOM 0 HG LEU A 83 6.500 10.900 -4.050 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.569 12.531 -2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.926 12.329 -2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.366 11.569 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.190 10.647 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.093 9.563 -1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.720 9.082 -2.990 1.00 0.00 H new ATOM 1259 N PHE A 84 2.662 8.145 -4.781 1.00 0.00 N ATOM 1260 CA PHE A 84 2.188 7.198 -5.775 1.00 0.00 C ATOM 1261 C PHE A 84 1.365 7.902 -6.856 1.00 0.00 C ATOM 1262 O PHE A 84 1.665 7.787 -8.044 1.00 0.00 O ATOM 1263 CB PHE A 84 1.294 6.193 -5.046 1.00 0.00 C ATOM 1264 CG PHE A 84 1.078 4.884 -5.808 1.00 0.00 C ATOM 1265 CD1 PHE A 84 2.096 3.990 -5.927 1.00 0.00 C ATOM 1266 CD2 PHE A 84 -0.132 4.615 -6.367 1.00 0.00 C ATOM 1267 CE1 PHE A 84 1.895 2.775 -6.635 1.00 0.00 C ATOM 1268 CE2 PHE A 84 -0.333 3.400 -7.075 1.00 0.00 C ATOM 1269 CZ PHE A 84 0.684 2.506 -7.194 1.00 0.00 C ATOM 0 H PHE A 84 2.403 7.921 -3.820 1.00 0.00 H new ATOM 0 HA PHE A 84 3.036 6.713 -6.259 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.735 5.968 -4.075 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.325 6.655 -4.856 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.057 4.204 -5.483 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.940 5.325 -6.273 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.703 2.065 -6.730 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.294 3.187 -7.519 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.531 1.582 -7.732 1.00 0.00 H new ATOM 1279 N VAL A 85 0.345 8.617 -6.406 1.00 0.00 N ATOM 1280 CA VAL A 85 -0.523 9.340 -7.320 1.00 0.00 C ATOM 1281 C VAL A 85 0.325 10.253 -8.207 1.00 0.00 C ATOM 1282 O VAL A 85 0.124 10.308 -9.419 1.00 0.00 O ATOM 1283 CB VAL A 85 -1.595 10.098 -6.533 1.00 0.00 C ATOM 1284 CG1 VAL A 85 -1.274 11.593 -6.470 1.00 0.00 C ATOM 1285 CG2 VAL A 85 -2.983 9.861 -7.131 1.00 0.00 C ATOM 0 H VAL A 85 0.100 8.711 -5.420 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.049 8.647 -7.976 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.598 9.712 -5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.051 12.108 -5.905 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.312 11.738 -5.979 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.230 11.999 -7.481 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.727 10.410 -6.554 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.998 10.207 -8.165 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.215 8.796 -7.101 1.00 0.00 H new ATOM 1295 N GLU A 86 1.256 10.947 -7.568 1.00 0.00 N ATOM 1296 CA GLU A 86 2.136 11.855 -8.284 1.00 0.00 C ATOM 1297 C GLU A 86 2.833 11.123 -9.433 1.00 0.00 C ATOM 1298 O GLU A 86 2.808 11.583 -10.573 1.00 0.00 O ATOM 1299 CB GLU A 86 3.157 12.490 -7.338 1.00 0.00 C ATOM 1300 CG GLU A 86 2.690 13.870 -6.873 1.00 0.00 C ATOM 1301 CD GLU A 86 3.758 14.931 -7.146 1.00 0.00 C ATOM 1302 OE1 GLU A 86 4.943 14.619 -6.899 1.00 0.00 O ATOM 1303 OE2 GLU A 86 3.366 16.030 -7.594 1.00 0.00 O ATOM 0 H GLU A 86 1.420 10.899 -6.562 1.00 0.00 H new ATOM 0 HA GLU A 86 1.532 12.659 -8.705 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.309 11.843 -6.474 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.119 12.579 -7.842 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.767 14.138 -7.387 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.465 13.842 -5.807 1.00 0.00 H new ATOM 1310 N ALA A 87 3.439 9.995 -9.092 1.00 0.00 N ATOM 1311 CA ALA A 87 4.142 9.195 -10.080 1.00 0.00 C ATOM 1312 C ALA A 87 3.137 8.649 -11.096 1.00 0.00 C ATOM 1313 O ALA A 87 3.290 8.855 -12.299 1.00 0.00 O ATOM 1314 CB ALA A 87 4.922 8.083 -9.376 1.00 0.00 C ATOM 0 H ALA A 87 3.458 9.616 -8.145 1.00 0.00 H new ATOM 0 HA ALA A 87 4.863 9.804 -10.624 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.449 7.483 -10.118 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.642 8.524 -8.687 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.231 7.449 -8.821 1.00 0.00 H new ATOM 1320 N VAL A 88 2.131 7.962 -10.575 1.00 0.00 N ATOM 1321 CA VAL A 88 1.101 7.384 -11.421 1.00 0.00 C ATOM 1322 C VAL A 88 0.738 8.378 -12.526 1.00 0.00 C ATOM 1323 O VAL A 88 0.708 8.020 -13.703 1.00 0.00 O ATOM 1324 CB VAL A 88 -0.102 6.968 -10.572 1.00 0.00 C ATOM 1325 CG1 VAL A 88 -1.372 6.891 -11.422 1.00 0.00 C ATOM 1326 CG2 VAL A 88 0.163 5.641 -9.859 1.00 0.00 C ATOM 0 H VAL A 88 2.007 7.793 -9.577 1.00 0.00 H new ATOM 0 HA VAL A 88 1.468 6.479 -11.905 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.255 7.732 -9.810 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.212 6.593 -10.795 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.575 7.867 -11.862 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.234 6.157 -12.216 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.708 5.368 -9.263 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.355 4.863 -10.598 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.031 5.745 -9.208 1.00 0.00 H new ATOM 1336 N GLU A 89 0.472 9.607 -12.108 1.00 0.00 N ATOM 1337 CA GLU A 89 0.112 10.655 -13.048 1.00 0.00 C ATOM 1338 C GLU A 89 1.316 11.025 -13.917 1.00 0.00 C ATOM 1339 O GLU A 89 1.183 11.200 -15.127 1.00 0.00 O ATOM 1340 CB GLU A 89 -0.434 11.883 -12.317 1.00 0.00 C ATOM 1341 CG GLU A 89 -1.726 11.546 -11.569 1.00 0.00 C ATOM 1342 CD GLU A 89 -2.864 12.478 -11.993 1.00 0.00 C ATOM 1343 OE1 GLU A 89 -2.580 13.684 -12.151 1.00 0.00 O ATOM 1344 OE2 GLU A 89 -3.992 11.962 -12.148 1.00 0.00 O ATOM 0 H GLU A 89 0.499 9.900 -11.131 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.678 10.278 -13.697 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.312 12.253 -11.614 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.622 12.683 -13.033 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.006 10.511 -11.767 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.562 11.632 -10.495 1.00 0.00 H new ATOM 1351 N GLN A 90 2.465 11.134 -13.265 1.00 0.00 N ATOM 1352 CA GLN A 90 3.691 11.480 -13.963 1.00 0.00 C ATOM 1353 C GLN A 90 4.097 10.353 -14.914 1.00 0.00 C ATOM 1354 O GLN A 90 4.993 10.525 -15.740 1.00 0.00 O ATOM 1355 CB GLN A 90 4.815 11.793 -12.973 1.00 0.00 C ATOM 1356 CG GLN A 90 4.496 13.050 -12.160 1.00 0.00 C ATOM 1357 CD GLN A 90 5.097 12.961 -10.756 1.00 0.00 C ATOM 1358 OE1 GLN A 90 5.793 12.021 -10.408 1.00 0.00 O ATOM 1359 NE2 GLN A 90 4.789 13.990 -9.970 1.00 0.00 N ATOM 0 H GLN A 90 2.572 10.989 -12.261 1.00 0.00 H new ATOM 0 HA GLN A 90 3.509 12.378 -14.553 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.958 10.947 -12.300 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.752 11.933 -13.513 1.00 0.00 H new ATOM 0 HG2 GLN A 90 4.888 13.928 -12.673 1.00 0.00 H new ATOM 0 HG3 GLN A 90 3.416 13.178 -12.090 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.201 14.744 -10.324 1.00 0.00 H new ATOM 0 HE22 GLN A 90 5.141 14.024 -9.013 1.00 0.00 H new ATOM 1368 N ASP A 91 3.417 9.225 -14.768 1.00 0.00 N ATOM 1369 CA ASP A 91 3.696 8.070 -15.604 1.00 0.00 C ATOM 1370 C ASP A 91 5.089 7.530 -15.274 1.00 0.00 C ATOM 1371 O ASP A 91 5.640 6.724 -16.022 1.00 0.00 O ATOM 1372 CB ASP A 91 3.674 8.445 -17.087 1.00 0.00 C ATOM 1373 CG ASP A 91 3.293 7.308 -18.037 1.00 0.00 C ATOM 1374 OD1 ASP A 91 2.246 6.677 -17.775 1.00 0.00 O ATOM 1375 OD2 ASP A 91 4.057 7.095 -19.003 1.00 0.00 O ATOM 0 H ASP A 91 2.674 9.087 -14.083 1.00 0.00 H new ATOM 0 HA ASP A 91 2.928 7.321 -15.410 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.972 9.267 -17.228 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.660 8.817 -17.367 1.00 0.00 H new ATOM 1380 N THR A 92 5.618 7.995 -14.152 1.00 0.00 N ATOM 1381 CA THR A 92 6.936 7.569 -13.713 1.00 0.00 C ATOM 1382 C THR A 92 6.820 6.641 -12.502 1.00 0.00 C ATOM 1383 O THR A 92 7.666 6.671 -11.609 1.00 0.00 O ATOM 1384 CB THR A 92 7.771 8.821 -13.441 1.00 0.00 C ATOM 1385 OG1 THR A 92 6.958 9.599 -12.566 1.00 0.00 O ATOM 1386 CG2 THR A 92 7.929 9.701 -14.683 1.00 0.00 C ATOM 0 H THR A 92 5.158 8.663 -13.533 1.00 0.00 H new ATOM 0 HA THR A 92 7.440 6.986 -14.483 1.00 0.00 H new ATOM 0 HB THR A 92 8.755 8.527 -13.076 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.425 10.430 -12.337 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.530 10.576 -14.435 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.423 9.133 -15.471 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.946 10.022 -15.029 1.00 0.00 H new ATOM 1394 N LEU A 93 5.766 5.838 -12.510 1.00 0.00 N ATOM 1395 CA LEU A 93 5.529 4.903 -11.424 1.00 0.00 C ATOM 1396 C LEU A 93 6.674 3.889 -11.371 1.00 0.00 C ATOM 1397 O LEU A 93 7.099 3.484 -10.290 1.00 0.00 O ATOM 1398 CB LEU A 93 4.147 4.262 -11.560 1.00 0.00 C ATOM 1399 CG LEU A 93 3.606 3.562 -10.312 1.00 0.00 C ATOM 1400 CD1 LEU A 93 3.150 4.581 -9.266 1.00 0.00 C ATOM 1401 CD2 LEU A 93 2.493 2.576 -10.675 1.00 0.00 C ATOM 0 H LEU A 93 5.066 5.816 -13.252 1.00 0.00 H new ATOM 0 HA LEU A 93 5.520 5.425 -10.467 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.437 5.035 -11.855 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.184 3.536 -12.372 1.00 0.00 H new ATOM 0 HG LEU A 93 4.416 2.984 -9.867 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.770 4.057 -8.389 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.994 5.208 -8.977 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.361 5.205 -9.686 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.126 2.092 -9.770 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.675 3.112 -11.157 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.884 1.821 -11.357 1.00 0.00 H new ATOM 1413 N GLN A 94 7.141 3.508 -12.551 1.00 0.00 N ATOM 1414 CA GLN A 94 8.228 2.550 -12.652 1.00 0.00 C ATOM 1415 C GLN A 94 9.481 3.093 -11.962 1.00 0.00 C ATOM 1416 O GLN A 94 10.305 2.325 -11.469 1.00 0.00 O ATOM 1417 CB GLN A 94 8.515 2.199 -14.113 1.00 0.00 C ATOM 1418 CG GLN A 94 7.618 1.055 -14.589 1.00 0.00 C ATOM 1419 CD GLN A 94 7.079 1.328 -15.995 1.00 0.00 C ATOM 1420 OE1 GLN A 94 7.554 2.194 -16.712 1.00 0.00 O ATOM 1421 NE2 GLN A 94 6.065 0.544 -16.348 1.00 0.00 N ATOM 0 H GLN A 94 6.786 3.846 -13.446 1.00 0.00 H new ATOM 0 HA GLN A 94 7.927 1.634 -12.145 1.00 0.00 H new ATOM 0 HB2 GLN A 94 8.355 3.076 -14.740 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.562 1.915 -14.224 1.00 0.00 H new ATOM 0 HG2 GLN A 94 8.181 0.122 -14.587 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.787 0.927 -13.896 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.716 -0.161 -15.699 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.636 0.648 -17.268 1.00 0.00 H new ATOM 1430 N GLU A 95 9.585 4.414 -11.950 1.00 0.00 N ATOM 1431 CA GLU A 95 10.723 5.069 -11.329 1.00 0.00 C ATOM 1432 C GLU A 95 10.534 5.137 -9.812 1.00 0.00 C ATOM 1433 O GLU A 95 11.404 4.708 -9.055 1.00 0.00 O ATOM 1434 CB GLU A 95 10.941 6.465 -11.916 1.00 0.00 C ATOM 1435 CG GLU A 95 12.293 6.557 -12.625 1.00 0.00 C ATOM 1436 CD GLU A 95 13.138 7.695 -12.050 1.00 0.00 C ATOM 1437 OE1 GLU A 95 13.153 7.817 -10.806 1.00 0.00 O ATOM 1438 OE2 GLU A 95 13.750 8.417 -12.866 1.00 0.00 O ATOM 0 H GLU A 95 8.900 5.048 -12.361 1.00 0.00 H new ATOM 0 HA GLU A 95 11.615 4.479 -11.539 1.00 0.00 H new ATOM 0 HB2 GLU A 95 10.141 6.697 -12.619 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.892 7.209 -11.121 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.828 5.613 -12.519 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.138 6.718 -13.692 1.00 0.00 H new ATOM 1445 N PHE A 96 9.392 5.677 -9.413 1.00 0.00 N ATOM 1446 CA PHE A 96 9.078 5.806 -8.000 1.00 0.00 C ATOM 1447 C PHE A 96 9.397 4.513 -7.248 1.00 0.00 C ATOM 1448 O PHE A 96 10.022 4.545 -6.188 1.00 0.00 O ATOM 1449 CB PHE A 96 7.577 6.085 -7.899 1.00 0.00 C ATOM 1450 CG PHE A 96 7.044 6.107 -6.466 1.00 0.00 C ATOM 1451 CD1 PHE A 96 7.547 6.994 -5.566 1.00 0.00 C ATOM 1452 CD2 PHE A 96 6.066 5.239 -6.091 1.00 0.00 C ATOM 1453 CE1 PHE A 96 7.052 7.015 -4.236 1.00 0.00 C ATOM 1454 CE2 PHE A 96 5.570 5.260 -4.760 1.00 0.00 C ATOM 1455 CZ PHE A 96 6.074 6.147 -3.860 1.00 0.00 C ATOM 0 H PHE A 96 8.672 6.030 -10.044 1.00 0.00 H new ATOM 0 HA PHE A 96 9.671 6.607 -7.558 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.364 7.045 -8.370 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.038 5.325 -8.465 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.324 7.683 -5.864 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.667 4.534 -6.805 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.452 7.720 -3.522 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.793 4.572 -4.463 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.698 6.162 -2.848 1.00 0.00 H new ATOM 1465 N LEU A 97 8.953 3.406 -7.824 1.00 0.00 N ATOM 1466 CA LEU A 97 9.183 2.104 -7.221 1.00 0.00 C ATOM 1467 C LEU A 97 10.621 1.663 -7.503 1.00 0.00 C ATOM 1468 O LEU A 97 11.434 2.453 -7.980 1.00 0.00 O ATOM 1469 CB LEU A 97 8.129 1.101 -7.694 1.00 0.00 C ATOM 1470 CG LEU A 97 6.680 1.593 -7.679 1.00 0.00 C ATOM 1471 CD1 LEU A 97 5.784 0.686 -8.524 1.00 0.00 C ATOM 1472 CD2 LEU A 97 6.164 1.735 -6.246 1.00 0.00 C ATOM 0 H LEU A 97 8.435 3.384 -8.702 1.00 0.00 H new ATOM 0 HA LEU A 97 9.073 2.161 -6.138 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.377 0.795 -8.710 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.196 0.211 -7.068 1.00 0.00 H new ATOM 0 HG LEU A 97 6.651 2.584 -8.131 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.760 1.058 -8.496 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.140 0.680 -9.554 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.813 -0.328 -8.125 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.132 2.086 -6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.210 0.768 -5.745 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.782 2.452 -5.706 1.00 0.00 H new ATOM 1484 N LYS A 98 10.891 0.403 -7.194 1.00 0.00 N ATOM 1485 CA LYS A 98 12.217 -0.152 -7.408 1.00 0.00 C ATOM 1486 C LYS A 98 12.184 -1.087 -8.619 1.00 0.00 C ATOM 1487 O LYS A 98 12.671 -2.214 -8.550 1.00 0.00 O ATOM 1488 CB LYS A 98 12.731 -0.818 -6.130 1.00 0.00 C ATOM 1489 CG LYS A 98 14.259 -0.774 -6.065 1.00 0.00 C ATOM 1490 CD LYS A 98 14.749 0.612 -5.641 1.00 0.00 C ATOM 1491 CE LYS A 98 16.278 0.680 -5.654 1.00 0.00 C ATOM 1492 NZ LYS A 98 16.796 0.434 -7.019 1.00 0.00 N ATOM 0 H LYS A 98 10.214 -0.249 -6.797 1.00 0.00 H new ATOM 0 HA LYS A 98 12.930 0.640 -7.636 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.312 -0.314 -5.259 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.392 -1.853 -6.093 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.618 -1.523 -5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.676 -1.029 -7.039 1.00 0.00 H new ATOM 0 HD2 LYS A 98 14.342 1.367 -6.313 1.00 0.00 H new ATOM 0 HD3 LYS A 98 14.379 0.843 -4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 98 16.607 1.658 -5.304 1.00 0.00 H new ATOM 0 HE3 LYS A 98 16.687 -0.059 -4.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 17.770 0.791 -7.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 16.786 -0.587 -7.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 16.196 0.926 -7.712 1.00 0.00 H new ATOM 1506 N LEU A 99 11.606 -0.583 -9.699 1.00 0.00 N ATOM 1507 CA LEU A 99 11.504 -1.359 -10.924 1.00 0.00 C ATOM 1508 C LEU A 99 12.519 -0.834 -11.942 1.00 0.00 C ATOM 1509 O LEU A 99 13.244 -1.612 -12.559 1.00 0.00 O ATOM 1510 CB LEU A 99 10.063 -1.363 -11.437 1.00 0.00 C ATOM 1511 CG LEU A 99 8.988 -1.738 -10.415 1.00 0.00 C ATOM 1512 CD1 LEU A 99 7.587 -1.544 -10.998 1.00 0.00 C ATOM 1513 CD2 LEU A 99 9.200 -3.160 -9.893 1.00 0.00 C ATOM 0 H LEU A 99 11.203 0.353 -9.752 1.00 0.00 H new ATOM 0 HA LEU A 99 11.753 -2.403 -10.735 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.835 -0.371 -11.828 1.00 0.00 H new ATOM 0 HB3 LEU A 99 9.998 -2.058 -12.274 1.00 0.00 H new ATOM 0 HG LEU A 99 9.078 -1.066 -9.562 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.841 -1.818 -10.252 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.452 -0.500 -11.280 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.468 -2.176 -11.878 1.00 0.00 H new ATOM 0 HD21 LEU A 99 8.422 -3.401 -9.168 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.152 -3.864 -10.724 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.177 -3.230 -9.414 1.00 0.00 H new ATOM 1525 N ALA A 100 12.537 0.483 -12.085 1.00 0.00 N ATOM 1526 CA ALA A 100 13.450 1.122 -13.017 1.00 0.00 C ATOM 1527 C ALA A 100 14.279 2.172 -12.274 1.00 0.00 C ATOM 1528 O ALA A 100 15.499 2.225 -12.425 1.00 0.00 O ATOM 1529 CB ALA A 100 12.657 1.722 -14.180 1.00 0.00 C ATOM 0 H ALA A 100 11.934 1.125 -11.571 1.00 0.00 H new ATOM 0 HA ALA A 100 14.142 0.392 -13.437 1.00 0.00 H new ATOM 0 HB1 ALA A 100 13.343 2.201 -14.879 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.109 0.931 -14.693 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.953 2.461 -13.797 1.00 0.00 H new TER 1535 ALA A 100