USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 773 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 102 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 39 HIS :FLIP no HE2:sc= -8.29! C(o=-22!,f=-22!) USER MOD Set 2.2: A 89 CYS SG : rot 129:sc= -2.04! USER MOD Set 2.3: A 92 HIS :FLIP no HD1:sc= -11.5! C(o=-22!,f=-22!) USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= -0.208 USER MOD Set 3.2: A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 38:sc= 0.0276 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.728 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.163 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -7.47! C(o=-7.5!,f=-18!) USER MOD Single : A 34 ASN : amide:sc= -2.46! C(o=-2.5!,f=-5.2!) USER MOD Single : A 35 LYS NZ :NH3+ -162:sc= -0.0364 (180deg=-0.435) USER MOD Single : A 40 ASN : amide:sc= -4.8! C(o=-4.8!,f=-6.5!) USER MOD Single : A 48 ASN : amide:sc= -3.67! C(o=-3.7!,f=-11!) USER MOD Single : A 51 LYS NZ :NH3+ -146:sc= -0.16 (180deg=-0.628) USER MOD Single : A 52 SER OG : rot 51:sc= 0.297 USER MOD Single : A 57 LYS NZ :NH3+ -147:sc= -0.145 (180deg=-1.02) USER MOD Single : A 58 SER OG : rot 6:sc= 0.528! USER MOD Single : A 60 SER OG : rot -135:sc= -0.0728 USER MOD Single : A 61 HIS : no HE2:sc= -7.15! C(o=-7.2!,f=-8.5!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 172:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.246 F(o=-0.83,f=-0.25) USER MOD Single : A 71 SER OG : rot -42:sc= -2.33! USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -111:sc= 0.498 USER MOD Single : A 85 TYR OH : rot -5:sc= -1.68! USER MOD Single : A 86 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 139:sc= -4.26! (180deg=-7.86!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 2.247 13.958 1.512 1.00 0.00 N ATOM 19 CA THR A 2 1.635 12.707 2.040 1.00 0.00 C ATOM 20 C THR A 2 0.694 12.114 0.989 1.00 0.00 C ATOM 21 O THR A 2 -0.166 12.790 0.461 1.00 0.00 O ATOM 22 CB THR A 2 0.841 13.022 3.309 1.00 0.00 C ATOM 23 OG1 THR A 2 1.734 13.418 4.340 1.00 0.00 O ATOM 24 CG2 THR A 2 0.067 11.779 3.749 1.00 0.00 C ATOM 0 HA THR A 2 2.423 11.990 2.271 1.00 0.00 H new ATOM 0 HB THR A 2 0.139 13.831 3.108 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.457 13.958 3.957 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.499 12.004 4.653 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.619 11.478 2.957 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.766 10.967 3.951 1.00 0.00 H new ATOM 32 N TYR A 3 0.849 10.856 0.683 1.00 0.00 N ATOM 33 CA TYR A 3 -0.040 10.223 -0.332 1.00 0.00 C ATOM 34 C TYR A 3 -1.047 9.313 0.374 1.00 0.00 C ATOM 35 O TYR A 3 -0.688 8.501 1.203 1.00 0.00 O ATOM 36 CB TYR A 3 0.802 9.395 -1.303 1.00 0.00 C ATOM 37 CG TYR A 3 1.584 10.319 -2.205 1.00 0.00 C ATOM 38 CD1 TYR A 3 0.917 11.105 -3.153 1.00 0.00 C ATOM 39 CD2 TYR A 3 2.978 10.388 -2.095 1.00 0.00 C ATOM 40 CE1 TYR A 3 1.645 11.960 -3.990 1.00 0.00 C ATOM 41 CE2 TYR A 3 3.705 11.243 -2.930 1.00 0.00 C ATOM 42 CZ TYR A 3 3.039 12.029 -3.879 1.00 0.00 C ATOM 43 OH TYR A 3 3.757 12.871 -4.704 1.00 0.00 O ATOM 0 H TYR A 3 1.552 10.239 1.091 1.00 0.00 H new ATOM 0 HA TYR A 3 -0.572 10.998 -0.884 1.00 0.00 H new ATOM 0 HB2 TYR A 3 1.482 8.747 -0.750 1.00 0.00 H new ATOM 0 HB3 TYR A 3 0.158 8.747 -1.898 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -0.158 11.052 -3.239 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.492 9.781 -1.365 1.00 0.00 H new ATOM 0 HE1 TYR A 3 1.131 12.566 -4.721 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.780 11.297 -2.843 1.00 0.00 H new ATOM 0 HH TYR A 3 4.712 12.798 -4.495 1.00 0.00 H new ATOM 53 N THR A 4 -2.305 9.443 0.054 1.00 0.00 N ATOM 54 CA THR A 4 -3.331 8.585 0.711 1.00 0.00 C ATOM 55 C THR A 4 -4.188 7.898 -0.354 1.00 0.00 C ATOM 56 O THR A 4 -4.988 8.525 -1.021 1.00 0.00 O ATOM 57 CB THR A 4 -4.223 9.453 1.603 1.00 0.00 C ATOM 58 OG1 THR A 4 -5.183 8.630 2.252 1.00 0.00 O ATOM 59 CG2 THR A 4 -4.940 10.498 0.747 1.00 0.00 C ATOM 0 H THR A 4 -2.666 10.105 -0.633 1.00 0.00 H new ATOM 0 HA THR A 4 -2.835 7.827 1.317 1.00 0.00 H new ATOM 0 HB THR A 4 -3.611 9.957 2.350 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.754 9.183 2.825 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.575 11.115 1.382 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.203 11.128 0.249 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.554 9.996 -0.001 1.00 0.00 H new ATOM 67 N VAL A 5 -4.026 6.614 -0.522 1.00 0.00 N ATOM 68 CA VAL A 5 -4.826 5.886 -1.540 1.00 0.00 C ATOM 69 C VAL A 5 -6.088 5.317 -0.888 1.00 0.00 C ATOM 70 O VAL A 5 -6.156 5.151 0.314 1.00 0.00 O ATOM 71 CB VAL A 5 -3.989 4.742 -2.107 1.00 0.00 C ATOM 72 CG1 VAL A 5 -2.679 5.297 -2.668 1.00 0.00 C ATOM 73 CG2 VAL A 5 -3.679 3.735 -0.996 1.00 0.00 C ATOM 0 H VAL A 5 -3.370 6.038 0.006 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.110 6.569 -2.341 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.546 4.247 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.081 4.480 -3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.897 6.014 -3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.124 5.793 -1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.081 2.918 -1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.123 4.231 -0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.611 3.338 -0.595 1.00 0.00 H new ATOM 83 N LYS A 6 -7.086 5.014 -1.670 1.00 0.00 N ATOM 84 CA LYS A 6 -8.340 4.453 -1.093 1.00 0.00 C ATOM 85 C LYS A 6 -8.711 3.168 -1.835 1.00 0.00 C ATOM 86 O LYS A 6 -9.505 3.177 -2.754 1.00 0.00 O ATOM 87 CB LYS A 6 -9.471 5.473 -1.238 1.00 0.00 C ATOM 88 CG LYS A 6 -8.971 6.855 -0.813 1.00 0.00 C ATOM 89 CD LYS A 6 -10.141 7.670 -0.258 1.00 0.00 C ATOM 90 CE LYS A 6 -9.606 8.805 0.617 1.00 0.00 C ATOM 91 NZ LYS A 6 -10.719 9.735 0.958 1.00 0.00 N ATOM 0 H LYS A 6 -7.088 5.130 -2.683 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.187 4.231 -0.037 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.818 5.502 -2.271 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.322 5.178 -0.624 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.192 6.755 -0.057 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.526 7.370 -1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.735 8.077 -1.077 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.801 7.028 0.325 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.164 8.400 1.527 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.816 9.342 0.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.356 10.507 1.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.121 10.131 0.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.458 9.217 1.475 1.00 0.00 H new ATOM 105 N LEU A 7 -8.143 2.061 -1.442 1.00 0.00 N ATOM 106 CA LEU A 7 -8.460 0.777 -2.119 1.00 0.00 C ATOM 107 C LEU A 7 -9.972 0.663 -2.317 1.00 0.00 C ATOM 108 O LEU A 7 -10.704 0.325 -1.408 1.00 0.00 O ATOM 109 CB LEU A 7 -7.969 -0.392 -1.260 1.00 0.00 C ATOM 110 CG LEU A 7 -7.959 -0.001 0.217 1.00 0.00 C ATOM 111 CD1 LEU A 7 -8.532 -1.148 1.051 1.00 0.00 C ATOM 112 CD2 LEU A 7 -6.520 0.279 0.659 1.00 0.00 C ATOM 0 H LEU A 7 -7.471 1.993 -0.678 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.963 0.748 -3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.615 -1.257 -1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.966 -0.685 -1.572 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.566 0.893 0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.525 -0.870 2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.555 -1.351 0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.924 -2.041 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.511 0.558 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.915 -0.616 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.109 1.094 0.064 1.00 0.00 H new ATOM 124 N GLY A 8 -10.447 0.937 -3.501 1.00 0.00 N ATOM 125 CA GLY A 8 -11.911 0.837 -3.756 1.00 0.00 C ATOM 126 C GLY A 8 -12.521 2.237 -3.814 1.00 0.00 C ATOM 127 O GLY A 8 -12.555 2.952 -2.832 1.00 0.00 O ATOM 0 H GLY A 8 -9.885 1.225 -4.302 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.091 0.312 -4.694 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.388 0.254 -2.968 1.00 0.00 H new ATOM 131 N SER A 9 -13.010 2.632 -4.957 1.00 0.00 N ATOM 132 CA SER A 9 -13.625 3.983 -5.076 1.00 0.00 C ATOM 133 C SER A 9 -15.014 3.963 -4.436 1.00 0.00 C ATOM 134 O SER A 9 -15.192 4.369 -3.305 1.00 0.00 O ATOM 135 CB SER A 9 -13.749 4.356 -6.554 1.00 0.00 C ATOM 136 OG SER A 9 -14.035 3.187 -7.310 1.00 0.00 O ATOM 0 H SER A 9 -13.010 2.078 -5.813 1.00 0.00 H new ATOM 0 HA SER A 9 -13.000 4.717 -4.568 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.540 5.094 -6.690 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.824 4.813 -6.905 1.00 0.00 H new ATOM 0 HG SER A 9 -14.117 3.422 -8.258 1.00 0.00 H new ATOM 142 N ASP A 10 -15.999 3.488 -5.150 1.00 0.00 N ATOM 143 CA ASP A 10 -17.378 3.435 -4.584 1.00 0.00 C ATOM 144 C ASP A 10 -18.378 3.131 -5.703 1.00 0.00 C ATOM 145 O ASP A 10 -19.408 2.527 -5.479 1.00 0.00 O ATOM 146 CB ASP A 10 -17.720 4.785 -3.942 1.00 0.00 C ATOM 147 CG ASP A 10 -19.227 4.869 -3.690 1.00 0.00 C ATOM 148 OD1 ASP A 10 -19.681 4.277 -2.724 1.00 0.00 O ATOM 149 OD2 ASP A 10 -19.902 5.523 -4.468 1.00 0.00 O ATOM 0 H ASP A 10 -15.908 3.134 -6.102 1.00 0.00 H new ATOM 0 HA ASP A 10 -17.431 2.651 -3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -17.178 4.900 -3.004 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.405 5.599 -4.594 1.00 0.00 H new ATOM 154 N LYS A 11 -18.088 3.547 -6.905 1.00 0.00 N ATOM 155 CA LYS A 11 -19.028 3.281 -8.031 1.00 0.00 C ATOM 156 C LYS A 11 -18.365 2.345 -9.042 1.00 0.00 C ATOM 157 O LYS A 11 -19.016 1.780 -9.898 1.00 0.00 O ATOM 158 CB LYS A 11 -19.386 4.600 -8.718 1.00 0.00 C ATOM 159 CG LYS A 11 -20.867 4.592 -9.101 1.00 0.00 C ATOM 160 CD LYS A 11 -21.147 5.732 -10.082 1.00 0.00 C ATOM 161 CE LYS A 11 -20.876 7.072 -9.396 1.00 0.00 C ATOM 162 NZ LYS A 11 -22.115 7.540 -8.713 1.00 0.00 N ATOM 0 H LYS A 11 -17.242 4.059 -7.156 1.00 0.00 H new ATOM 0 HA LYS A 11 -19.933 2.814 -7.644 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -19.176 5.437 -8.052 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -18.771 4.738 -9.607 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -21.131 3.636 -9.553 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -21.485 4.705 -8.210 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -20.517 5.629 -10.965 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -22.182 5.688 -10.422 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -20.067 6.965 -8.673 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -20.552 7.810 -10.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -21.931 8.451 -8.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -22.875 7.657 -9.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -22.405 6.839 -8.002 1.00 0.00 H new ATOM 176 N GLY A 12 -17.074 2.179 -8.954 1.00 0.00 N ATOM 177 CA GLY A 12 -16.372 1.282 -9.914 1.00 0.00 C ATOM 178 C GLY A 12 -16.187 -0.099 -9.284 1.00 0.00 C ATOM 179 O GLY A 12 -16.990 -0.992 -9.473 1.00 0.00 O ATOM 0 H GLY A 12 -16.475 2.626 -8.259 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -16.947 1.198 -10.836 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.403 1.704 -10.180 1.00 0.00 H new ATOM 183 N LEU A 13 -15.135 -0.282 -8.536 1.00 0.00 N ATOM 184 CA LEU A 13 -14.896 -1.605 -7.894 1.00 0.00 C ATOM 185 C LEU A 13 -13.850 -1.449 -6.789 1.00 0.00 C ATOM 186 O LEU A 13 -13.749 -0.415 -6.159 1.00 0.00 O ATOM 187 CB LEU A 13 -14.388 -2.596 -8.944 1.00 0.00 C ATOM 188 CG LEU A 13 -14.852 -4.007 -8.581 1.00 0.00 C ATOM 189 CD1 LEU A 13 -16.051 -4.391 -9.451 1.00 0.00 C ATOM 190 CD2 LEU A 13 -13.709 -4.996 -8.823 1.00 0.00 C ATOM 0 H LEU A 13 -14.429 0.428 -8.341 1.00 0.00 H new ATOM 0 HA LEU A 13 -15.826 -1.978 -7.465 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -14.763 -2.321 -9.930 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -13.300 -2.562 -8.995 1.00 0.00 H new ATOM 0 HG LEU A 13 -15.143 -4.035 -7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -16.381 -5.397 -9.192 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -16.865 -3.686 -9.280 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -15.762 -4.364 -10.502 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.038 -6.003 -8.565 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.419 -4.967 -9.873 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.855 -4.723 -8.203 1.00 0.00 H new ATOM 202 N LEU A 14 -13.071 -2.466 -6.549 1.00 0.00 N ATOM 203 CA LEU A 14 -12.034 -2.370 -5.486 1.00 0.00 C ATOM 204 C LEU A 14 -10.654 -2.235 -6.132 1.00 0.00 C ATOM 205 O LEU A 14 -10.025 -3.213 -6.485 1.00 0.00 O ATOM 206 CB LEU A 14 -12.073 -3.630 -4.622 1.00 0.00 C ATOM 207 CG LEU A 14 -13.345 -3.628 -3.774 1.00 0.00 C ATOM 208 CD1 LEU A 14 -13.498 -4.984 -3.086 1.00 0.00 C ATOM 209 CD2 LEU A 14 -13.249 -2.526 -2.715 1.00 0.00 C ATOM 0 H LEU A 14 -13.108 -3.358 -7.042 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.230 -1.497 -4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -12.046 -4.518 -5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -11.194 -3.670 -3.978 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.209 -3.444 -4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.404 -4.985 -2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.564 -5.769 -3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.635 -5.167 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.155 -2.523 -2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.386 -2.710 -2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.137 -1.559 -3.205 1.00 0.00 H new ATOM 221 N VAL A 15 -10.178 -1.031 -6.293 1.00 0.00 N ATOM 222 CA VAL A 15 -8.839 -0.839 -6.919 1.00 0.00 C ATOM 223 C VAL A 15 -8.132 0.350 -6.264 1.00 0.00 C ATOM 224 O VAL A 15 -8.760 1.238 -5.723 1.00 0.00 O ATOM 225 CB VAL A 15 -9.012 -0.570 -8.416 1.00 0.00 C ATOM 226 CG1 VAL A 15 -9.314 -1.883 -9.140 1.00 0.00 C ATOM 227 CG2 VAL A 15 -10.172 0.406 -8.627 1.00 0.00 C ATOM 0 H VAL A 15 -10.657 -0.173 -6.019 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.239 -1.738 -6.777 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.094 -0.138 -8.815 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.437 -1.691 -10.206 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.489 -2.579 -8.990 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.231 -2.316 -8.741 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.296 0.598 -9.693 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -11.089 -0.027 -8.227 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.958 1.342 -8.112 1.00 0.00 H new ATOM 237 N PHE A 16 -6.827 0.374 -6.310 1.00 0.00 N ATOM 238 CA PHE A 16 -6.078 1.505 -5.692 1.00 0.00 C ATOM 239 C PHE A 16 -6.296 2.780 -6.512 1.00 0.00 C ATOM 240 O PHE A 16 -6.368 2.747 -7.725 1.00 0.00 O ATOM 241 CB PHE A 16 -4.585 1.172 -5.661 1.00 0.00 C ATOM 242 CG PHE A 16 -4.241 0.489 -4.359 1.00 0.00 C ATOM 243 CD1 PHE A 16 -3.929 1.257 -3.232 1.00 0.00 C ATOM 244 CD2 PHE A 16 -4.229 -0.910 -4.279 1.00 0.00 C ATOM 245 CE1 PHE A 16 -3.605 0.629 -2.023 1.00 0.00 C ATOM 246 CE2 PHE A 16 -3.904 -1.538 -3.069 1.00 0.00 C ATOM 247 CZ PHE A 16 -3.592 -0.768 -1.942 1.00 0.00 C ATOM 0 H PHE A 16 -6.247 -0.341 -6.749 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.440 1.662 -4.676 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.330 0.525 -6.500 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.997 2.083 -5.771 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.938 2.335 -3.294 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.470 -1.503 -5.149 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.365 1.223 -1.153 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.894 -2.616 -3.006 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.341 -1.252 -1.010 1.00 0.00 H new ATOM 257 N GLU A 17 -6.397 3.905 -5.856 1.00 0.00 N ATOM 258 CA GLU A 17 -6.605 5.185 -6.590 1.00 0.00 C ATOM 259 C GLU A 17 -5.660 6.252 -6.023 1.00 0.00 C ATOM 260 O GLU A 17 -5.887 6.758 -4.941 1.00 0.00 O ATOM 261 CB GLU A 17 -8.054 5.646 -6.407 1.00 0.00 C ATOM 262 CG GLU A 17 -8.928 5.019 -7.494 1.00 0.00 C ATOM 263 CD GLU A 17 -9.874 6.079 -8.063 1.00 0.00 C ATOM 264 OE1 GLU A 17 -10.757 6.507 -7.339 1.00 0.00 O ATOM 265 OE2 GLU A 17 -9.699 6.443 -9.214 1.00 0.00 O ATOM 0 H GLU A 17 -6.344 3.992 -4.841 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.399 5.036 -7.650 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.417 5.357 -5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.111 6.733 -6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.303 4.611 -8.288 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.501 4.189 -7.081 1.00 0.00 H new ATOM 272 N PRO A 18 -4.620 6.560 -6.760 1.00 0.00 N ATOM 273 CA PRO A 18 -4.339 5.950 -8.073 1.00 0.00 C ATOM 274 C PRO A 18 -3.777 4.536 -7.902 1.00 0.00 C ATOM 275 O PRO A 18 -3.691 4.020 -6.806 1.00 0.00 O ATOM 276 CB PRO A 18 -3.295 6.887 -8.685 1.00 0.00 C ATOM 277 CG PRO A 18 -2.633 7.637 -7.510 1.00 0.00 C ATOM 278 CD PRO A 18 -3.615 7.552 -6.332 1.00 0.00 C ATOM 0 HA PRO A 18 -5.227 5.844 -8.696 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.554 6.324 -9.252 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.762 7.587 -9.378 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.676 7.185 -7.251 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.434 8.675 -7.775 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.112 7.238 -5.418 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.074 8.519 -6.127 1.00 0.00 H new ATOM 286 N ALA A 19 -3.400 3.903 -8.980 1.00 0.00 N ATOM 287 CA ALA A 19 -2.854 2.524 -8.882 1.00 0.00 C ATOM 288 C ALA A 19 -1.345 2.578 -8.631 1.00 0.00 C ATOM 289 O ALA A 19 -0.718 1.577 -8.346 1.00 0.00 O ATOM 290 CB ALA A 19 -3.126 1.775 -10.188 1.00 0.00 C ATOM 0 H ALA A 19 -3.448 4.284 -9.925 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.337 2.005 -8.054 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.726 0.763 -10.117 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.201 1.729 -10.364 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.645 2.298 -11.014 1.00 0.00 H new ATOM 296 N LYS A 20 -0.754 3.737 -8.734 1.00 0.00 N ATOM 297 CA LYS A 20 0.715 3.846 -8.501 1.00 0.00 C ATOM 298 C LYS A 20 1.012 5.115 -7.700 1.00 0.00 C ATOM 299 O LYS A 20 0.454 6.164 -7.954 1.00 0.00 O ATOM 300 CB LYS A 20 1.441 3.906 -9.846 1.00 0.00 C ATOM 301 CG LYS A 20 1.408 2.526 -10.504 1.00 0.00 C ATOM 302 CD LYS A 20 2.455 2.464 -11.618 1.00 0.00 C ATOM 303 CE LYS A 20 1.843 2.978 -12.922 1.00 0.00 C ATOM 304 NZ LYS A 20 2.541 2.348 -14.078 1.00 0.00 N ATOM 0 H LYS A 20 -1.223 4.612 -8.969 1.00 0.00 H new ATOM 0 HA LYS A 20 1.061 2.977 -7.942 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.966 4.642 -10.495 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.472 4.227 -9.701 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.606 1.753 -9.761 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.416 2.330 -10.912 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.323 3.066 -11.349 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.804 1.440 -11.747 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.779 2.744 -12.954 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.933 4.063 -12.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.126 2.696 -14.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.551 2.592 -14.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.433 1.315 -14.028 1.00 0.00 H new ATOM 318 N LEU A 21 1.884 5.027 -6.733 1.00 0.00 N ATOM 319 CA LEU A 21 2.211 6.227 -5.915 1.00 0.00 C ATOM 320 C LEU A 21 3.716 6.498 -5.967 1.00 0.00 C ATOM 321 O LEU A 21 4.522 5.630 -5.698 1.00 0.00 O ATOM 322 CB LEU A 21 1.792 5.980 -4.464 1.00 0.00 C ATOM 323 CG LEU A 21 0.304 6.289 -4.304 1.00 0.00 C ATOM 324 CD1 LEU A 21 0.059 7.773 -4.581 1.00 0.00 C ATOM 325 CD2 LEU A 21 -0.500 5.446 -5.297 1.00 0.00 C ATOM 0 H LEU A 21 2.383 4.176 -6.475 1.00 0.00 H new ATOM 0 HA LEU A 21 1.676 7.089 -6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.991 4.944 -4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.379 6.607 -3.793 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.010 6.052 -3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.002 7.994 -4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.633 8.374 -3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.372 8.010 -5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.562 5.665 -5.184 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.186 5.684 -6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.325 4.388 -5.101 1.00 0.00 H new ATOM 337 N THR A 22 4.099 7.700 -6.298 1.00 0.00 N ATOM 338 CA THR A 22 5.550 8.032 -6.353 1.00 0.00 C ATOM 339 C THR A 22 5.936 8.759 -5.064 1.00 0.00 C ATOM 340 O THR A 22 5.720 9.946 -4.921 1.00 0.00 O ATOM 341 CB THR A 22 5.827 8.937 -7.557 1.00 0.00 C ATOM 342 OG1 THR A 22 5.381 8.294 -8.744 1.00 0.00 O ATOM 343 CG2 THR A 22 7.328 9.213 -7.655 1.00 0.00 C ATOM 0 H THR A 22 3.469 8.467 -6.533 1.00 0.00 H new ATOM 0 HA THR A 22 6.136 7.118 -6.454 1.00 0.00 H new ATOM 0 HB THR A 22 5.295 9.880 -7.434 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.556 8.873 -9.515 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.524 9.857 -8.512 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.667 9.707 -6.745 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.864 8.272 -7.778 1.00 0.00 H new ATOM 351 N ILE A 23 6.488 8.053 -4.116 1.00 0.00 N ATOM 352 CA ILE A 23 6.867 8.697 -2.832 1.00 0.00 C ATOM 353 C ILE A 23 8.377 8.910 -2.769 1.00 0.00 C ATOM 354 O ILE A 23 9.102 8.628 -3.702 1.00 0.00 O ATOM 355 CB ILE A 23 6.454 7.794 -1.670 1.00 0.00 C ATOM 356 CG1 ILE A 23 7.004 6.385 -1.909 1.00 0.00 C ATOM 357 CG2 ILE A 23 4.930 7.741 -1.576 1.00 0.00 C ATOM 358 CD1 ILE A 23 7.782 5.919 -0.675 1.00 0.00 C ATOM 0 H ILE A 23 6.692 7.056 -4.178 1.00 0.00 H new ATOM 0 HA ILE A 23 6.362 9.660 -2.764 1.00 0.00 H new ATOM 0 HB ILE A 23 6.856 8.191 -0.738 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.186 5.695 -2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.654 6.381 -2.784 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.639 7.096 -0.747 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.541 8.745 -1.409 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.522 7.343 -2.505 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.172 4.916 -0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.610 6.603 -0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.119 5.906 0.190 1.00 0.00 H new ATOM 370 N LYS A 24 8.849 9.393 -1.655 1.00 0.00 N ATOM 371 CA LYS A 24 10.307 9.618 -1.485 1.00 0.00 C ATOM 372 C LYS A 24 10.811 8.654 -0.406 1.00 0.00 C ATOM 373 O LYS A 24 10.039 7.887 0.134 1.00 0.00 O ATOM 374 CB LYS A 24 10.542 11.070 -1.058 1.00 0.00 C ATOM 375 CG LYS A 24 11.325 11.799 -2.153 1.00 0.00 C ATOM 376 CD LYS A 24 10.919 13.273 -2.180 1.00 0.00 C ATOM 377 CE LYS A 24 12.152 14.134 -2.460 1.00 0.00 C ATOM 378 NZ LYS A 24 12.591 14.803 -1.203 1.00 0.00 N ATOM 0 H LYS A 24 8.279 9.644 -0.847 1.00 0.00 H new ATOM 0 HA LYS A 24 10.843 9.438 -2.417 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.589 11.569 -0.883 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.094 11.100 -0.119 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.396 11.710 -1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.129 11.340 -3.122 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.163 13.440 -2.948 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.473 13.556 -1.227 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.958 13.515 -2.855 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.922 14.881 -3.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.429 15.388 -1.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.823 15.406 -0.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.827 14.083 -0.491 1.00 0.00 H new ATOM 392 N PRO A 25 12.085 8.706 -0.124 1.00 0.00 N ATOM 393 CA PRO A 25 12.696 7.830 0.887 1.00 0.00 C ATOM 394 C PRO A 25 12.374 8.330 2.297 1.00 0.00 C ATOM 395 O PRO A 25 13.206 8.916 2.961 1.00 0.00 O ATOM 396 CB PRO A 25 14.196 7.933 0.594 1.00 0.00 C ATOM 397 CG PRO A 25 14.400 9.259 -0.174 1.00 0.00 C ATOM 398 CD PRO A 25 13.032 9.635 -0.773 1.00 0.00 C ATOM 0 HA PRO A 25 12.330 6.804 0.843 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.774 7.927 1.518 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.535 7.084 0.000 1.00 0.00 H new ATOM 0 HG2 PRO A 25 14.759 10.042 0.494 1.00 0.00 H new ATOM 0 HG3 PRO A 25 15.147 9.141 -0.959 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.777 10.674 -0.564 1.00 0.00 H new ATOM 0 HD3 PRO A 25 13.026 9.518 -1.857 1.00 0.00 H new ATOM 406 N GLY A 26 11.174 8.100 2.765 1.00 0.00 N ATOM 407 CA GLY A 26 10.820 8.563 4.137 1.00 0.00 C ATOM 408 C GLY A 26 9.450 9.244 4.125 1.00 0.00 C ATOM 409 O GLY A 26 8.949 9.664 5.149 1.00 0.00 O ATOM 0 H GLY A 26 10.431 7.616 2.261 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.808 7.716 4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.577 9.258 4.501 1.00 0.00 H new ATOM 413 N ASP A 27 8.837 9.357 2.980 1.00 0.00 N ATOM 414 CA ASP A 27 7.499 10.011 2.920 1.00 0.00 C ATOM 415 C ASP A 27 6.500 9.192 3.740 1.00 0.00 C ATOM 416 O ASP A 27 6.868 8.276 4.449 1.00 0.00 O ATOM 417 CB ASP A 27 7.028 10.090 1.466 1.00 0.00 C ATOM 418 CG ASP A 27 7.503 11.406 0.848 1.00 0.00 C ATOM 419 OD1 ASP A 27 8.590 11.841 1.191 1.00 0.00 O ATOM 420 OD2 ASP A 27 6.771 11.958 0.043 1.00 0.00 O ATOM 0 H ASP A 27 9.202 9.027 2.087 1.00 0.00 H new ATOM 0 HA ASP A 27 7.568 11.019 3.329 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.421 9.246 0.899 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.941 10.026 1.420 1.00 0.00 H new ATOM 425 N THR A 28 5.238 9.513 3.653 1.00 0.00 N ATOM 426 CA THR A 28 4.222 8.754 4.429 1.00 0.00 C ATOM 427 C THR A 28 2.993 8.495 3.554 1.00 0.00 C ATOM 428 O THR A 28 2.277 9.406 3.187 1.00 0.00 O ATOM 429 CB THR A 28 3.809 9.564 5.659 1.00 0.00 C ATOM 430 OG1 THR A 28 4.927 9.711 6.524 1.00 0.00 O ATOM 431 CG2 THR A 28 2.682 8.837 6.392 1.00 0.00 C ATOM 0 H THR A 28 4.868 10.269 3.077 1.00 0.00 H new ATOM 0 HA THR A 28 4.648 7.802 4.745 1.00 0.00 H new ATOM 0 HB THR A 28 3.460 10.549 5.349 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.665 10.231 7.312 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.387 9.413 7.269 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.826 8.726 5.726 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.028 7.852 6.705 1.00 0.00 H new ATOM 439 N VAL A 29 2.741 7.259 3.218 1.00 0.00 N ATOM 440 CA VAL A 29 1.562 6.944 2.369 1.00 0.00 C ATOM 441 C VAL A 29 0.418 6.441 3.253 1.00 0.00 C ATOM 442 O VAL A 29 0.588 5.540 4.051 1.00 0.00 O ATOM 443 CB VAL A 29 1.933 5.863 1.347 1.00 0.00 C ATOM 444 CG1 VAL A 29 1.115 6.068 0.070 1.00 0.00 C ATOM 445 CG2 VAL A 29 3.424 5.960 1.013 1.00 0.00 C ATOM 0 H VAL A 29 3.303 6.454 3.496 1.00 0.00 H new ATOM 0 HA VAL A 29 1.247 7.844 1.841 1.00 0.00 H new ATOM 0 HB VAL A 29 1.718 4.881 1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.378 5.300 -0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.053 5.998 0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.331 7.052 -0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.685 5.191 0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.640 6.943 0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.010 5.816 1.921 1.00 0.00 H new ATOM 455 N GLU A 30 -0.747 7.015 3.118 1.00 0.00 N ATOM 456 CA GLU A 30 -1.897 6.571 3.947 1.00 0.00 C ATOM 457 C GLU A 30 -2.779 5.630 3.122 1.00 0.00 C ATOM 458 O GLU A 30 -2.676 5.571 1.913 1.00 0.00 O ATOM 459 CB GLU A 30 -2.715 7.788 4.387 1.00 0.00 C ATOM 460 CG GLU A 30 -2.079 8.406 5.634 1.00 0.00 C ATOM 461 CD GLU A 30 -2.898 9.619 6.079 1.00 0.00 C ATOM 462 OE1 GLU A 30 -3.321 10.372 5.217 1.00 0.00 O ATOM 463 OE2 GLU A 30 -3.088 9.775 7.274 1.00 0.00 O ATOM 0 H GLU A 30 -0.949 7.774 2.467 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.530 6.048 4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.754 8.523 3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.742 7.492 4.598 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.036 7.669 6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.053 8.705 5.421 1.00 0.00 H new ATOM 470 N PHE A 31 -3.638 4.888 3.764 1.00 0.00 N ATOM 471 CA PHE A 31 -4.516 3.947 3.010 1.00 0.00 C ATOM 472 C PHE A 31 -5.847 3.788 3.752 1.00 0.00 C ATOM 473 O PHE A 31 -5.920 3.954 4.954 1.00 0.00 O ATOM 474 CB PHE A 31 -3.824 2.582 2.888 1.00 0.00 C ATOM 475 CG PHE A 31 -2.322 2.752 2.989 1.00 0.00 C ATOM 476 CD1 PHE A 31 -1.694 2.692 4.240 1.00 0.00 C ATOM 477 CD2 PHE A 31 -1.557 2.972 1.834 1.00 0.00 C ATOM 478 CE1 PHE A 31 -0.308 2.851 4.336 1.00 0.00 C ATOM 479 CE2 PHE A 31 -0.171 3.130 1.933 1.00 0.00 C ATOM 480 CZ PHE A 31 0.453 3.070 3.184 1.00 0.00 C ATOM 0 H PHE A 31 -3.771 4.892 4.775 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.703 4.344 2.012 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.176 1.915 3.675 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.083 2.118 1.936 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.281 2.523 5.131 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.038 3.019 0.868 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.175 2.805 5.301 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.418 3.298 1.044 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.523 3.193 3.260 1.00 0.00 H new ATOM 490 N LEU A 32 -6.903 3.479 3.047 1.00 0.00 N ATOM 491 CA LEU A 32 -8.224 3.318 3.713 1.00 0.00 C ATOM 492 C LEU A 32 -8.993 2.157 3.075 1.00 0.00 C ATOM 493 O LEU A 32 -8.430 1.328 2.390 1.00 0.00 O ATOM 494 CB LEU A 32 -9.030 4.609 3.553 1.00 0.00 C ATOM 495 CG LEU A 32 -8.151 5.810 3.903 1.00 0.00 C ATOM 496 CD1 LEU A 32 -7.412 6.288 2.651 1.00 0.00 C ATOM 497 CD2 LEU A 32 -9.031 6.942 4.436 1.00 0.00 C ATOM 0 H LEU A 32 -6.906 3.331 2.038 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.070 3.106 4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.394 4.698 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.906 4.585 4.201 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.425 5.520 4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.786 7.144 2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.787 5.482 2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.136 6.579 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.408 7.800 4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.755 7.230 3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.558 6.604 5.328 1.00 0.00 H new ATOM 509 N ASN A 33 -10.282 2.101 3.293 1.00 0.00 N ATOM 510 CA ASN A 33 -11.102 1.006 2.697 1.00 0.00 C ATOM 511 C ASN A 33 -12.236 1.625 1.868 1.00 0.00 C ATOM 512 O ASN A 33 -12.443 2.822 1.887 1.00 0.00 O ATOM 513 CB ASN A 33 -11.674 0.122 3.824 1.00 0.00 C ATOM 514 CG ASN A 33 -13.037 0.628 4.297 1.00 0.00 C ATOM 515 OD1 ASN A 33 -13.381 1.776 4.110 1.00 0.00 O ATOM 516 ND2 ASN A 33 -13.827 -0.194 4.921 1.00 0.00 N ATOM 0 H ASN A 33 -10.803 2.770 3.860 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.485 0.385 2.047 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.769 -0.904 3.470 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.979 0.107 4.664 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.737 0.126 5.254 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.537 -1.159 5.078 1.00 0.00 H new ATOM 523 N ASN A 34 -12.980 0.827 1.153 1.00 0.00 N ATOM 524 CA ASN A 34 -14.101 1.391 0.346 1.00 0.00 C ATOM 525 C ASN A 34 -15.433 0.932 0.945 1.00 0.00 C ATOM 526 O ASN A 34 -15.933 1.517 1.885 1.00 0.00 O ATOM 527 CB ASN A 34 -13.996 0.911 -1.103 1.00 0.00 C ATOM 528 CG ASN A 34 -15.259 1.318 -1.859 1.00 0.00 C ATOM 529 OD1 ASN A 34 -16.079 2.054 -1.346 1.00 0.00 O ATOM 530 ND2 ASN A 34 -15.452 0.867 -3.066 1.00 0.00 N ATOM 0 H ASN A 34 -12.863 -0.184 1.092 1.00 0.00 H new ATOM 0 HA ASN A 34 -14.046 2.479 0.362 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.117 1.345 -1.580 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.873 -0.172 -1.132 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -16.292 1.132 -3.581 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -14.763 0.249 -3.496 1.00 0.00 H new ATOM 537 N LYS A 35 -16.007 -0.115 0.418 1.00 0.00 N ATOM 538 CA LYS A 35 -17.298 -0.610 0.969 1.00 0.00 C ATOM 539 C LYS A 35 -17.346 -2.130 0.825 1.00 0.00 C ATOM 540 O LYS A 35 -18.395 -2.723 0.669 1.00 0.00 O ATOM 541 CB LYS A 35 -18.468 0.036 0.217 1.00 0.00 C ATOM 542 CG LYS A 35 -18.636 -0.609 -1.162 1.00 0.00 C ATOM 543 CD LYS A 35 -20.039 -1.209 -1.270 1.00 0.00 C ATOM 544 CE LYS A 35 -19.972 -2.538 -2.022 1.00 0.00 C ATOM 545 NZ LYS A 35 -19.300 -2.331 -3.336 1.00 0.00 N ATOM 0 H LYS A 35 -15.637 -0.648 -0.369 1.00 0.00 H new ATOM 0 HA LYS A 35 -17.379 -0.344 2.023 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -19.386 -0.078 0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.291 1.106 0.106 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -18.484 0.134 -1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -17.884 -1.384 -1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -20.457 -1.363 -0.275 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -20.702 -0.518 -1.791 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -19.425 -3.274 -1.433 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -20.976 -2.934 -2.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -19.517 -3.129 -3.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -19.642 -1.448 -3.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -18.271 -2.271 -3.194 1.00 0.00 H new ATOM 559 N VAL A 36 -16.205 -2.759 0.886 1.00 0.00 N ATOM 560 CA VAL A 36 -16.149 -4.243 0.763 1.00 0.00 C ATOM 561 C VAL A 36 -14.938 -4.761 1.548 1.00 0.00 C ATOM 562 O VAL A 36 -14.058 -5.382 0.985 1.00 0.00 O ATOM 563 CB VAL A 36 -16.006 -4.644 -0.711 1.00 0.00 C ATOM 564 CG1 VAL A 36 -16.816 -5.913 -0.976 1.00 0.00 C ATOM 565 CG2 VAL A 36 -16.523 -3.518 -1.612 1.00 0.00 C ATOM 0 H VAL A 36 -15.301 -2.304 1.017 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.068 -4.674 1.161 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.954 -4.826 -0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -16.714 -6.198 -2.023 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -16.446 -6.720 -0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -17.866 -5.728 -0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.418 -3.811 -2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.574 -3.329 -1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -15.946 -2.612 -1.429 1.00 0.00 H new ATOM 575 N PRO A 37 -14.930 -4.480 2.828 1.00 0.00 N ATOM 576 CA PRO A 37 -13.837 -4.894 3.730 1.00 0.00 C ATOM 577 C PRO A 37 -13.980 -6.372 4.108 1.00 0.00 C ATOM 578 O PRO A 37 -14.961 -7.004 3.772 1.00 0.00 O ATOM 579 CB PRO A 37 -14.039 -4.005 4.962 1.00 0.00 C ATOM 580 CG PRO A 37 -15.521 -3.566 4.947 1.00 0.00 C ATOM 581 CD PRO A 37 -16.011 -3.724 3.498 1.00 0.00 C ATOM 0 HA PRO A 37 -12.850 -4.788 3.280 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.805 -4.550 5.876 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.377 -3.139 4.929 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.114 -4.179 5.626 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -15.623 -2.533 5.280 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -16.958 -4.261 3.455 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.172 -2.756 3.024 1.00 0.00 H new ATOM 589 N PRO A 38 -13.002 -6.871 4.823 1.00 0.00 N ATOM 590 CA PRO A 38 -11.812 -6.098 5.228 1.00 0.00 C ATOM 591 C PRO A 38 -10.768 -6.104 4.111 1.00 0.00 C ATOM 592 O PRO A 38 -10.906 -6.801 3.131 1.00 0.00 O ATOM 593 CB PRO A 38 -11.289 -6.868 6.441 1.00 0.00 C ATOM 594 CG PRO A 38 -11.827 -8.315 6.305 1.00 0.00 C ATOM 595 CD PRO A 38 -13.012 -8.258 5.322 1.00 0.00 C ATOM 0 HA PRO A 38 -12.033 -5.053 5.443 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.199 -6.859 6.466 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.633 -6.411 7.369 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.050 -8.983 5.935 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.146 -8.702 7.273 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.890 -8.974 4.510 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.953 -8.496 5.818 1.00 0.00 H new ATOM 603 N HIS A 39 -9.718 -5.342 4.255 1.00 0.00 N ATOM 604 CA HIS A 39 -8.668 -5.316 3.199 1.00 0.00 C ATOM 605 C HIS A 39 -7.287 -5.467 3.840 1.00 0.00 C ATOM 606 O HIS A 39 -7.023 -4.941 4.904 1.00 0.00 O ATOM 607 CB HIS A 39 -8.738 -3.990 2.438 1.00 0.00 C ATOM 608 CG HIS A 39 -9.994 -3.961 1.615 1.00 0.00 C ATOM 609 ND1 HIS A 39 -11.253 -3.485 1.883 1.00 0.00 N flip ATOM 610 CD2 HIS A 39 -10.052 -4.504 0.334 1.00 0.00 C flip ATOM 611 CE1 HIS A 39 -12.076 -3.737 0.796 1.00 0.00 C flip ATOM 612 NE2 HIS A 39 -11.314 -4.343 -0.107 1.00 0.00 N flip ATOM 0 H HIS A 39 -9.543 -4.737 5.057 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.835 -6.140 2.506 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.727 -3.154 3.137 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.865 -3.879 1.795 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -11.538 -3.020 2.745 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.238 -4.967 -0.204 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -13.123 -3.491 0.703 1.00 0.00 H new ATOM 620 N ASN A 40 -6.405 -6.186 3.201 1.00 0.00 N ATOM 621 CA ASN A 40 -5.042 -6.375 3.771 1.00 0.00 C ATOM 622 C ASN A 40 -4.014 -5.663 2.890 1.00 0.00 C ATOM 623 O ASN A 40 -3.858 -5.972 1.726 1.00 0.00 O ATOM 624 CB ASN A 40 -4.716 -7.869 3.826 1.00 0.00 C ATOM 625 CG ASN A 40 -3.301 -8.064 4.375 1.00 0.00 C ATOM 626 OD1 ASN A 40 -2.571 -8.919 3.915 1.00 0.00 O ATOM 627 ND2 ASN A 40 -2.878 -7.300 5.346 1.00 0.00 N ATOM 0 H ASN A 40 -6.570 -6.651 2.308 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.009 -5.956 4.777 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.437 -8.386 4.459 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -4.794 -8.306 2.830 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.936 -7.422 5.717 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.490 -6.582 5.733 1.00 0.00 H new ATOM 634 N VAL A 41 -3.310 -4.714 3.440 1.00 0.00 N ATOM 635 CA VAL A 41 -2.286 -3.981 2.644 1.00 0.00 C ATOM 636 C VAL A 41 -0.897 -4.415 3.117 1.00 0.00 C ATOM 637 O VAL A 41 -0.503 -4.143 4.234 1.00 0.00 O ATOM 638 CB VAL A 41 -2.472 -2.472 2.858 1.00 0.00 C ATOM 639 CG1 VAL A 41 -1.180 -1.724 2.513 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.602 -1.968 1.958 1.00 0.00 C ATOM 0 H VAL A 41 -3.400 -4.413 4.410 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.393 -4.205 1.583 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.720 -2.291 3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.326 -0.655 2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.373 -2.078 3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.921 -1.906 1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.736 -0.897 2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.349 -2.160 0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.526 -2.488 2.209 1.00 0.00 H new ATOM 650 N VAL A 42 -0.151 -5.094 2.288 1.00 0.00 N ATOM 651 CA VAL A 42 1.202 -5.542 2.722 1.00 0.00 C ATOM 652 C VAL A 42 2.215 -5.369 1.588 1.00 0.00 C ATOM 653 O VAL A 42 1.865 -5.081 0.461 1.00 0.00 O ATOM 654 CB VAL A 42 1.142 -7.016 3.128 1.00 0.00 C ATOM 655 CG1 VAL A 42 2.318 -7.341 4.049 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.170 -7.290 3.865 1.00 0.00 C ATOM 0 H VAL A 42 -0.417 -5.355 1.339 1.00 0.00 H new ATOM 0 HA VAL A 42 1.518 -4.934 3.570 1.00 0.00 H new ATOM 0 HB VAL A 42 1.196 -7.639 2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.275 -8.391 4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.254 -7.147 3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.265 -6.717 4.941 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.212 -8.340 4.154 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.224 -6.666 4.757 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.010 -7.060 3.210 1.00 0.00 H new ATOM 666 N PHE A 43 3.475 -5.548 1.887 1.00 0.00 N ATOM 667 CA PHE A 43 4.526 -5.402 0.843 1.00 0.00 C ATOM 668 C PHE A 43 5.259 -6.734 0.672 1.00 0.00 C ATOM 669 O PHE A 43 5.993 -7.164 1.540 1.00 0.00 O ATOM 670 CB PHE A 43 5.529 -4.331 1.275 1.00 0.00 C ATOM 671 CG PHE A 43 4.796 -3.152 1.858 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.315 -3.214 3.169 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.605 -1.995 1.094 1.00 0.00 C ATOM 674 CE1 PHE A 43 3.646 -2.118 3.718 1.00 0.00 C ATOM 675 CE2 PHE A 43 3.931 -0.900 1.645 1.00 0.00 C ATOM 676 CZ PHE A 43 3.453 -0.964 2.959 1.00 0.00 C ATOM 0 H PHE A 43 3.821 -5.790 2.815 1.00 0.00 H new ATOM 0 HA PHE A 43 4.062 -5.112 -0.100 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.219 -4.742 2.011 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.126 -4.013 0.420 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.461 -4.108 3.757 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.977 -1.948 0.081 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.277 -2.164 4.732 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.780 -0.007 1.057 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.934 -0.118 3.386 1.00 0.00 H new ATOM 686 N ASP A 44 5.072 -7.389 -0.440 1.00 0.00 N ATOM 687 CA ASP A 44 5.765 -8.688 -0.659 1.00 0.00 C ATOM 688 C ASP A 44 7.250 -8.530 -0.329 1.00 0.00 C ATOM 689 O ASP A 44 7.863 -7.530 -0.647 1.00 0.00 O ATOM 690 CB ASP A 44 5.608 -9.112 -2.120 1.00 0.00 C ATOM 691 CG ASP A 44 5.632 -10.639 -2.214 1.00 0.00 C ATOM 692 OD1 ASP A 44 5.003 -11.274 -1.384 1.00 0.00 O ATOM 693 OD2 ASP A 44 6.279 -11.147 -3.115 1.00 0.00 O ATOM 0 H ASP A 44 4.471 -7.082 -1.204 1.00 0.00 H new ATOM 0 HA ASP A 44 5.326 -9.449 -0.014 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.671 -8.727 -2.523 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.412 -8.687 -2.721 1.00 0.00 H new ATOM 698 N ALA A 45 7.832 -9.505 0.314 1.00 0.00 N ATOM 699 CA ALA A 45 9.273 -9.408 0.671 1.00 0.00 C ATOM 700 C ALA A 45 10.134 -9.858 -0.512 1.00 0.00 C ATOM 701 O ALA A 45 11.320 -10.083 -0.375 1.00 0.00 O ATOM 702 CB ALA A 45 9.559 -10.305 1.877 1.00 0.00 C ATOM 0 H ALA A 45 7.370 -10.366 0.607 1.00 0.00 H new ATOM 0 HA ALA A 45 9.513 -8.373 0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.614 -10.235 2.140 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.952 -9.982 2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.314 -11.338 1.628 1.00 0.00 H new ATOM 708 N ALA A 46 9.552 -9.994 -1.673 1.00 0.00 N ATOM 709 CA ALA A 46 10.349 -10.432 -2.854 1.00 0.00 C ATOM 710 C ALA A 46 10.295 -9.355 -3.940 1.00 0.00 C ATOM 711 O ALA A 46 10.480 -9.630 -5.108 1.00 0.00 O ATOM 712 CB ALA A 46 9.775 -11.741 -3.403 1.00 0.00 C ATOM 0 H ALA A 46 8.563 -9.821 -1.854 1.00 0.00 H new ATOM 0 HA ALA A 46 11.385 -10.588 -2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.359 -12.060 -4.267 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.819 -12.509 -2.631 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.738 -11.586 -3.703 1.00 0.00 H new ATOM 718 N LEU A 47 10.043 -8.131 -3.565 1.00 0.00 N ATOM 719 CA LEU A 47 9.977 -7.041 -4.578 1.00 0.00 C ATOM 720 C LEU A 47 10.833 -5.861 -4.114 1.00 0.00 C ATOM 721 O LEU A 47 10.415 -4.721 -4.165 1.00 0.00 O ATOM 722 CB LEU A 47 8.527 -6.583 -4.744 1.00 0.00 C ATOM 723 CG LEU A 47 7.799 -6.678 -3.402 1.00 0.00 C ATOM 724 CD1 LEU A 47 8.289 -5.566 -2.474 1.00 0.00 C ATOM 725 CD2 LEU A 47 6.294 -6.525 -3.631 1.00 0.00 C ATOM 0 H LEU A 47 9.880 -7.839 -2.601 1.00 0.00 H new ATOM 0 HA LEU A 47 10.352 -7.411 -5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.499 -5.557 -5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.023 -7.202 -5.487 1.00 0.00 H new ATOM 0 HG LEU A 47 8.003 -7.646 -2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.770 -5.635 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.362 -5.673 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.085 -4.597 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.772 -6.592 -2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.092 -5.556 -4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.944 -7.318 -4.292 1.00 0.00 H new ATOM 737 N ASN A 48 12.028 -6.123 -3.663 1.00 0.00 N ATOM 738 CA ASN A 48 12.907 -5.015 -3.198 1.00 0.00 C ATOM 739 C ASN A 48 14.184 -4.983 -4.043 1.00 0.00 C ATOM 740 O ASN A 48 14.571 -5.981 -4.618 1.00 0.00 O ATOM 741 CB ASN A 48 13.276 -5.230 -1.727 1.00 0.00 C ATOM 742 CG ASN A 48 13.333 -6.728 -1.419 1.00 0.00 C ATOM 743 OD1 ASN A 48 13.453 -7.543 -2.312 1.00 0.00 O ATOM 744 ND2 ASN A 48 13.254 -7.128 -0.179 1.00 0.00 N ATOM 0 H ASN A 48 12.434 -7.057 -3.596 1.00 0.00 H new ATOM 0 HA ASN A 48 12.376 -4.069 -3.304 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.240 -4.769 -1.514 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.542 -4.745 -1.084 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.293 -8.124 0.039 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.153 -6.445 0.572 1.00 0.00 H new ATOM 751 N PRO A 49 14.801 -3.830 -4.088 1.00 0.00 N ATOM 752 CA PRO A 49 16.044 -3.622 -4.852 1.00 0.00 C ATOM 753 C PRO A 49 17.238 -4.206 -4.093 1.00 0.00 C ATOM 754 O PRO A 49 18.266 -4.501 -4.668 1.00 0.00 O ATOM 755 CB PRO A 49 16.153 -2.098 -4.953 1.00 0.00 C ATOM 756 CG PRO A 49 15.309 -1.523 -3.790 1.00 0.00 C ATOM 757 CD PRO A 49 14.317 -2.627 -3.381 1.00 0.00 C ATOM 0 HA PRO A 49 16.036 -4.108 -5.828 1.00 0.00 H new ATOM 0 HB2 PRO A 49 17.192 -1.777 -4.875 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.781 -1.745 -5.915 1.00 0.00 H new ATOM 0 HG2 PRO A 49 15.945 -1.243 -2.951 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.780 -0.623 -4.103 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.310 -2.776 -2.301 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.298 -2.375 -3.675 1.00 0.00 H new ATOM 765 N ALA A 50 17.109 -4.377 -2.806 1.00 0.00 N ATOM 766 CA ALA A 50 18.237 -4.943 -2.017 1.00 0.00 C ATOM 767 C ALA A 50 17.760 -6.184 -1.268 1.00 0.00 C ATOM 768 O ALA A 50 18.277 -6.532 -0.225 1.00 0.00 O ATOM 769 CB ALA A 50 18.741 -3.900 -1.018 1.00 0.00 C ATOM 0 H ALA A 50 16.273 -4.149 -2.268 1.00 0.00 H new ATOM 0 HA ALA A 50 19.050 -5.216 -2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 50 19.567 -4.317 -0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 50 19.084 -3.017 -1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 50 17.932 -3.622 -0.343 1.00 0.00 H new ATOM 775 N LYS A 51 16.780 -6.854 -1.806 1.00 0.00 N ATOM 776 CA LYS A 51 16.250 -8.085 -1.150 1.00 0.00 C ATOM 777 C LYS A 51 16.220 -7.898 0.369 1.00 0.00 C ATOM 778 O LYS A 51 16.669 -8.743 1.118 1.00 0.00 O ATOM 779 CB LYS A 51 17.150 -9.271 -1.502 1.00 0.00 C ATOM 780 CG LYS A 51 16.612 -10.539 -0.837 1.00 0.00 C ATOM 781 CD LYS A 51 17.764 -11.292 -0.168 1.00 0.00 C ATOM 782 CE LYS A 51 18.894 -11.500 -1.179 1.00 0.00 C ATOM 783 NZ LYS A 51 20.101 -10.746 -0.738 1.00 0.00 N ATOM 0 H LYS A 51 16.319 -6.600 -2.680 1.00 0.00 H new ATOM 0 HA LYS A 51 15.236 -8.274 -1.504 1.00 0.00 H new ATOM 0 HB2 LYS A 51 17.188 -9.403 -2.583 1.00 0.00 H new ATOM 0 HB3 LYS A 51 18.170 -9.078 -1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.854 -10.281 -0.097 1.00 0.00 H new ATOM 0 HG3 LYS A 51 16.130 -11.175 -1.579 1.00 0.00 H new ATOM 0 HD2 LYS A 51 18.130 -10.730 0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 51 17.415 -12.254 0.206 1.00 0.00 H new ATOM 0 HE2 LYS A 51 19.127 -12.561 -1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 51 18.580 -11.160 -2.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 20.615 -10.395 -1.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 19.811 -9.942 -0.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 20.721 -11.374 -0.189 1.00 0.00 H new ATOM 797 N SER A 52 15.694 -6.797 0.831 1.00 0.00 N ATOM 798 CA SER A 52 15.638 -6.559 2.302 1.00 0.00 C ATOM 799 C SER A 52 14.182 -6.594 2.768 1.00 0.00 C ATOM 800 O SER A 52 13.297 -6.082 2.110 1.00 0.00 O ATOM 801 CB SER A 52 16.243 -5.192 2.621 1.00 0.00 C ATOM 802 OG SER A 52 17.658 -5.268 2.514 1.00 0.00 O ATOM 0 H SER A 52 15.301 -6.053 0.255 1.00 0.00 H new ATOM 0 HA SER A 52 16.204 -7.335 2.818 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.855 -4.440 1.934 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.959 -4.882 3.627 1.00 0.00 H new ATOM 0 HG SER A 52 17.900 -5.668 1.653 1.00 0.00 H new ATOM 808 N ALA A 53 13.923 -7.196 3.897 1.00 0.00 N ATOM 809 CA ALA A 53 12.522 -7.264 4.399 1.00 0.00 C ATOM 810 C ALA A 53 12.434 -6.611 5.782 1.00 0.00 C ATOM 811 O ALA A 53 11.528 -6.879 6.547 1.00 0.00 O ATOM 812 CB ALA A 53 12.089 -8.728 4.498 1.00 0.00 C ATOM 0 H ALA A 53 14.620 -7.643 4.492 1.00 0.00 H new ATOM 0 HA ALA A 53 11.866 -6.733 3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.064 -8.780 4.865 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.146 -9.192 3.513 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.748 -9.257 5.186 1.00 0.00 H new ATOM 818 N ASP A 54 13.364 -5.758 6.109 1.00 0.00 N ATOM 819 CA ASP A 54 13.329 -5.093 7.440 1.00 0.00 C ATOM 820 C ASP A 54 12.348 -3.920 7.401 1.00 0.00 C ATOM 821 O ASP A 54 11.705 -3.603 8.383 1.00 0.00 O ATOM 822 CB ASP A 54 14.726 -4.576 7.792 1.00 0.00 C ATOM 823 CG ASP A 54 15.330 -5.450 8.892 1.00 0.00 C ATOM 824 OD1 ASP A 54 15.081 -6.644 8.877 1.00 0.00 O ATOM 825 OD2 ASP A 54 16.033 -4.911 9.731 1.00 0.00 O ATOM 0 H ASP A 54 14.147 -5.493 5.511 1.00 0.00 H new ATOM 0 HA ASP A 54 13.007 -5.812 8.194 1.00 0.00 H new ATOM 0 HB2 ASP A 54 15.364 -4.591 6.909 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.669 -3.540 8.126 1.00 0.00 H new ATOM 830 N LEU A 55 12.228 -3.271 6.276 1.00 0.00 N ATOM 831 CA LEU A 55 11.289 -2.121 6.180 1.00 0.00 C ATOM 832 C LEU A 55 9.967 -2.593 5.568 1.00 0.00 C ATOM 833 O LEU A 55 9.207 -1.813 5.035 1.00 0.00 O ATOM 834 CB LEU A 55 11.912 -1.024 5.304 1.00 0.00 C ATOM 835 CG LEU A 55 11.753 -1.376 3.820 1.00 0.00 C ATOM 836 CD1 LEU A 55 10.823 -0.359 3.156 1.00 0.00 C ATOM 837 CD2 LEU A 55 13.120 -1.337 3.135 1.00 0.00 C ATOM 0 H LEU A 55 12.739 -3.488 5.420 1.00 0.00 H new ATOM 0 HA LEU A 55 11.098 -1.718 7.175 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.433 -0.067 5.511 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.969 -0.911 5.547 1.00 0.00 H new ATOM 0 HG LEU A 55 11.330 -2.376 3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.708 -0.606 2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.848 -0.385 3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.249 0.640 3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.006 -1.587 2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.545 -0.337 3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.785 -2.059 3.609 1.00 0.00 H new ATOM 849 N ALA A 56 9.694 -3.867 5.636 1.00 0.00 N ATOM 850 CA ALA A 56 8.425 -4.389 5.054 1.00 0.00 C ATOM 851 C ALA A 56 7.527 -4.902 6.179 1.00 0.00 C ATOM 852 O ALA A 56 6.318 -4.802 6.116 1.00 0.00 O ATOM 853 CB ALA A 56 8.739 -5.533 4.087 1.00 0.00 C ATOM 0 H ALA A 56 10.294 -4.569 6.069 1.00 0.00 H new ATOM 0 HA ALA A 56 7.914 -3.591 4.515 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.811 -5.915 3.661 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.382 -5.167 3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.248 -6.333 4.624 1.00 0.00 H new ATOM 859 N LYS A 57 8.109 -5.446 7.213 1.00 0.00 N ATOM 860 CA LYS A 57 7.287 -5.958 8.343 1.00 0.00 C ATOM 861 C LYS A 57 6.697 -4.774 9.106 1.00 0.00 C ATOM 862 O LYS A 57 5.516 -4.728 9.386 1.00 0.00 O ATOM 863 CB LYS A 57 8.165 -6.787 9.284 1.00 0.00 C ATOM 864 CG LYS A 57 8.258 -8.223 8.764 1.00 0.00 C ATOM 865 CD LYS A 57 9.189 -8.267 7.551 1.00 0.00 C ATOM 866 CE LYS A 57 8.390 -8.674 6.311 1.00 0.00 C ATOM 867 NZ LYS A 57 7.755 -10.001 6.545 1.00 0.00 N ATOM 0 H LYS A 57 9.117 -5.557 7.323 1.00 0.00 H new ATOM 0 HA LYS A 57 6.484 -6.586 7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.160 -6.348 9.350 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.746 -6.780 10.290 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.633 -8.881 9.548 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.268 -8.586 8.489 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.649 -7.291 7.396 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.998 -8.977 7.725 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.627 -7.926 6.095 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.046 -8.721 5.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.708 -10.526 5.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.320 -10.540 7.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.794 -9.865 6.918 1.00 0.00 H new ATOM 881 N SER A 58 7.511 -3.810 9.439 1.00 0.00 N ATOM 882 CA SER A 58 6.993 -2.624 10.177 1.00 0.00 C ATOM 883 C SER A 58 6.271 -1.691 9.200 1.00 0.00 C ATOM 884 O SER A 58 5.729 -0.674 9.584 1.00 0.00 O ATOM 885 CB SER A 58 8.157 -1.879 10.833 1.00 0.00 C ATOM 886 OG SER A 58 7.745 -0.558 11.161 1.00 0.00 O ATOM 0 H SER A 58 8.510 -3.792 9.233 1.00 0.00 H new ATOM 0 HA SER A 58 6.296 -2.952 10.948 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.480 -2.405 11.731 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.011 -1.848 10.157 1.00 0.00 H new ATOM 0 HG SER A 58 6.789 -0.457 10.972 1.00 0.00 H new ATOM 892 N LEU A 59 6.256 -2.029 7.937 1.00 0.00 N ATOM 893 CA LEU A 59 5.565 -1.161 6.939 1.00 0.00 C ATOM 894 C LEU A 59 4.103 -1.588 6.833 1.00 0.00 C ATOM 895 O LEU A 59 3.200 -0.777 6.863 1.00 0.00 O ATOM 896 CB LEU A 59 6.226 -1.330 5.569 1.00 0.00 C ATOM 897 CG LEU A 59 6.121 -0.027 4.776 1.00 0.00 C ATOM 898 CD1 LEU A 59 6.833 1.091 5.540 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.786 -0.211 3.409 1.00 0.00 C ATOM 0 H LEU A 59 6.692 -2.868 7.554 1.00 0.00 H new ATOM 0 HA LEU A 59 5.632 -0.120 7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.273 -1.607 5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.744 -2.139 5.021 1.00 0.00 H new ATOM 0 HG LEU A 59 5.072 0.235 4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.759 2.021 4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.365 1.220 6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.883 0.829 5.673 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.713 0.716 2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.836 -0.470 3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.283 -1.010 2.865 1.00 0.00 H new ATOM 911 N SER A 60 3.870 -2.863 6.688 1.00 0.00 N ATOM 912 CA SER A 60 2.473 -3.360 6.555 1.00 0.00 C ATOM 913 C SER A 60 1.802 -3.445 7.926 1.00 0.00 C ATOM 914 O SER A 60 2.448 -3.404 8.954 1.00 0.00 O ATOM 915 CB SER A 60 2.500 -4.744 5.911 1.00 0.00 C ATOM 916 OG SER A 60 3.496 -5.537 6.543 1.00 0.00 O ATOM 0 H SER A 60 4.590 -3.584 6.656 1.00 0.00 H new ATOM 0 HA SER A 60 1.904 -2.668 5.934 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.525 -5.221 6.006 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.710 -4.658 4.845 1.00 0.00 H new ATOM 0 HG SER A 60 4.018 -6.010 5.862 1.00 0.00 H new ATOM 922 N HIS A 61 0.500 -3.565 7.941 1.00 0.00 N ATOM 923 CA HIS A 61 -0.235 -3.655 9.234 1.00 0.00 C ATOM 924 C HIS A 61 -1.095 -4.927 9.239 1.00 0.00 C ATOM 925 O HIS A 61 -0.912 -5.811 8.426 1.00 0.00 O ATOM 926 CB HIS A 61 -1.116 -2.404 9.404 1.00 0.00 C ATOM 927 CG HIS A 61 -2.459 -2.605 8.746 1.00 0.00 C ATOM 928 ND1 HIS A 61 -3.581 -2.997 9.467 1.00 0.00 N ATOM 929 CD2 HIS A 61 -2.872 -2.470 7.444 1.00 0.00 C ATOM 930 CE1 HIS A 61 -4.604 -3.083 8.595 1.00 0.00 C ATOM 931 NE2 HIS A 61 -4.224 -2.773 7.355 1.00 0.00 N ATOM 0 H HIS A 61 -0.087 -3.605 7.108 1.00 0.00 H new ATOM 0 HA HIS A 61 0.469 -3.704 10.065 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.253 -2.191 10.464 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.617 -1.539 8.967 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -3.622 -3.184 10.469 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.243 -2.174 6.617 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -5.610 -3.368 8.867 1.00 0.00 H new ATOM 939 N LYS A 62 -2.032 -5.025 10.143 1.00 0.00 N ATOM 940 CA LYS A 62 -2.898 -6.239 10.186 1.00 0.00 C ATOM 941 C LYS A 62 -3.746 -6.303 8.912 1.00 0.00 C ATOM 942 O LYS A 62 -3.453 -5.652 7.930 1.00 0.00 O ATOM 943 CB LYS A 62 -3.814 -6.172 11.410 1.00 0.00 C ATOM 944 CG LYS A 62 -2.985 -5.836 12.651 1.00 0.00 C ATOM 945 CD LYS A 62 -3.555 -4.587 13.325 1.00 0.00 C ATOM 946 CE LYS A 62 -3.302 -4.657 14.832 1.00 0.00 C ATOM 947 NZ LYS A 62 -1.869 -4.354 15.110 1.00 0.00 N ATOM 0 H LYS A 62 -2.235 -4.320 10.851 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.274 -7.130 10.252 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.585 -5.416 11.259 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.324 -7.125 11.548 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.997 -6.675 13.347 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.945 -5.668 12.372 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.091 -3.693 12.909 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.624 -4.511 13.129 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.943 -3.945 15.353 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.555 -5.648 15.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.697 -4.401 16.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.267 -5.049 14.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.643 -3.399 14.765 1.00 0.00 H new ATOM 961 N GLN A 63 -4.792 -7.087 8.915 1.00 0.00 N ATOM 962 CA GLN A 63 -5.647 -7.189 7.698 1.00 0.00 C ATOM 963 C GLN A 63 -7.124 -7.172 8.097 1.00 0.00 C ATOM 964 O GLN A 63 -7.924 -7.925 7.577 1.00 0.00 O ATOM 965 CB GLN A 63 -5.336 -8.497 6.970 1.00 0.00 C ATOM 966 CG GLN A 63 -5.349 -9.654 7.970 1.00 0.00 C ATOM 967 CD GLN A 63 -4.990 -10.955 7.250 1.00 0.00 C ATOM 968 OE1 GLN A 63 -5.833 -11.808 7.055 1.00 0.00 O ATOM 969 NE2 GLN A 63 -3.764 -11.144 6.845 1.00 0.00 N ATOM 0 H GLN A 63 -5.090 -7.659 9.705 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.442 -6.343 7.043 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.072 -8.672 6.185 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.362 -8.433 6.485 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.638 -9.462 8.773 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.333 -9.740 8.430 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.057 -10.428 7.009 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.513 -12.008 6.365 1.00 0.00 H new ATOM 978 N LEU A 64 -7.494 -6.323 9.015 1.00 0.00 N ATOM 979 CA LEU A 64 -8.920 -6.267 9.439 1.00 0.00 C ATOM 980 C LEU A 64 -9.442 -4.831 9.328 1.00 0.00 C ATOM 981 O LEU A 64 -9.587 -4.139 10.315 1.00 0.00 O ATOM 982 CB LEU A 64 -9.031 -6.740 10.886 1.00 0.00 C ATOM 983 CG LEU A 64 -8.934 -8.262 10.915 1.00 0.00 C ATOM 984 CD1 LEU A 64 -7.640 -8.678 11.611 1.00 0.00 C ATOM 985 CD2 LEU A 64 -10.133 -8.835 11.674 1.00 0.00 C ATOM 0 H LEU A 64 -6.872 -5.667 9.489 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.515 -6.912 8.793 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.237 -6.300 11.489 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.977 -6.414 11.318 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.934 -8.646 9.895 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.571 -9.766 11.631 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.787 -8.271 11.068 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.636 -8.295 12.631 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.064 -9.923 11.695 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.135 -8.452 12.694 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.055 -8.539 11.174 1.00 0.00 H new ATOM 997 N LEU A 65 -9.731 -4.378 8.137 1.00 0.00 N ATOM 998 CA LEU A 65 -10.247 -2.987 7.979 1.00 0.00 C ATOM 999 C LEU A 65 -11.764 -2.987 8.179 1.00 0.00 C ATOM 1000 O LEU A 65 -12.512 -3.410 7.319 1.00 0.00 O ATOM 1001 CB LEU A 65 -9.928 -2.470 6.573 1.00 0.00 C ATOM 1002 CG LEU A 65 -8.443 -2.110 6.469 1.00 0.00 C ATOM 1003 CD1 LEU A 65 -7.591 -3.237 7.056 1.00 0.00 C ATOM 1004 CD2 LEU A 65 -8.077 -1.913 4.996 1.00 0.00 C ATOM 0 H LEU A 65 -9.633 -4.908 7.271 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.773 -2.342 8.718 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.179 -3.229 5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.539 -1.595 6.352 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.254 -1.192 7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.536 -2.974 6.978 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.853 -3.383 8.104 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.776 -4.159 6.504 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.021 -1.656 4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.270 -2.835 4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.679 -1.108 4.576 1.00 0.00 H new ATOM 1016 N MET A 66 -12.227 -2.514 9.304 1.00 0.00 N ATOM 1017 CA MET A 66 -13.697 -2.489 9.549 1.00 0.00 C ATOM 1018 C MET A 66 -14.200 -1.044 9.504 1.00 0.00 C ATOM 1019 O MET A 66 -15.360 -0.775 9.740 1.00 0.00 O ATOM 1020 CB MET A 66 -13.998 -3.090 10.924 1.00 0.00 C ATOM 1021 CG MET A 66 -15.401 -3.703 10.919 1.00 0.00 C ATOM 1022 SD MET A 66 -16.132 -3.554 12.569 1.00 0.00 S ATOM 1023 CE MET A 66 -17.754 -4.247 12.165 1.00 0.00 C ATOM 0 H MET A 66 -11.653 -2.145 10.062 1.00 0.00 H new ATOM 0 HA MET A 66 -14.201 -3.073 8.779 1.00 0.00 H new ATOM 0 HB2 MET A 66 -13.258 -3.852 11.169 1.00 0.00 H new ATOM 0 HB3 MET A 66 -13.929 -2.320 11.692 1.00 0.00 H new ATOM 0 HG2 MET A 66 -16.028 -3.197 10.185 1.00 0.00 H new ATOM 0 HG3 MET A 66 -15.350 -4.752 10.626 1.00 0.00 H new ATOM 0 HE1 MET A 66 -18.380 -4.251 13.057 1.00 0.00 H new ATOM 0 HE2 MET A 66 -18.227 -3.641 11.392 1.00 0.00 H new ATOM 0 HE3 MET A 66 -17.633 -5.268 11.802 1.00 0.00 H new ATOM 1033 N SER A 67 -13.338 -0.112 9.197 1.00 0.00 N ATOM 1034 CA SER A 67 -13.776 1.311 9.133 1.00 0.00 C ATOM 1035 C SER A 67 -14.050 1.687 7.672 1.00 0.00 C ATOM 1036 O SER A 67 -13.258 1.384 6.802 1.00 0.00 O ATOM 1037 CB SER A 67 -12.671 2.211 9.690 1.00 0.00 C ATOM 1038 OG SER A 67 -13.243 3.428 10.152 1.00 0.00 O ATOM 0 H SER A 67 -12.353 -0.274 8.989 1.00 0.00 H new ATOM 0 HA SER A 67 -14.682 1.442 9.724 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.153 1.707 10.506 1.00 0.00 H new ATOM 0 HB3 SER A 67 -11.929 2.415 8.918 1.00 0.00 H new ATOM 0 HG SER A 67 -12.564 3.947 10.631 1.00 0.00 H new ATOM 1044 N PRO A 68 -15.165 2.334 7.441 1.00 0.00 N ATOM 1045 CA PRO A 68 -15.566 2.758 6.089 1.00 0.00 C ATOM 1046 C PRO A 68 -14.809 4.024 5.677 1.00 0.00 C ATOM 1047 O PRO A 68 -15.337 5.117 5.730 1.00 0.00 O ATOM 1048 CB PRO A 68 -17.063 3.044 6.231 1.00 0.00 C ATOM 1049 CG PRO A 68 -17.313 3.320 7.733 1.00 0.00 C ATOM 1050 CD PRO A 68 -16.128 2.701 8.499 1.00 0.00 C ATOM 0 HA PRO A 68 -15.348 2.011 5.325 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.354 3.902 5.625 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.655 2.196 5.888 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -17.380 4.391 7.924 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -18.256 2.879 8.056 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -15.694 3.411 9.203 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -16.438 1.829 9.075 1.00 0.00 H new ATOM 1058 N GLY A 69 -13.578 3.889 5.264 1.00 0.00 N ATOM 1059 CA GLY A 69 -12.800 5.091 4.850 1.00 0.00 C ATOM 1060 C GLY A 69 -11.662 5.330 5.841 1.00 0.00 C ATOM 1061 O GLY A 69 -11.480 6.422 6.341 1.00 0.00 O ATOM 0 H GLY A 69 -13.079 3.002 5.196 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.398 4.949 3.847 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.452 5.964 4.812 1.00 0.00 H new ATOM 1065 N GLN A 70 -10.893 4.317 6.127 1.00 0.00 N ATOM 1066 CA GLN A 70 -9.765 4.483 7.085 1.00 0.00 C ATOM 1067 C GLN A 70 -9.151 3.117 7.387 1.00 0.00 C ATOM 1068 O GLN A 70 -9.763 2.279 8.020 1.00 0.00 O ATOM 1069 CB GLN A 70 -10.286 5.109 8.382 1.00 0.00 C ATOM 1070 CG GLN A 70 -9.218 4.992 9.473 1.00 0.00 C ATOM 1071 CD GLN A 70 -9.713 4.053 10.575 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -10.263 4.556 11.646 1.00 0.00 O flip ATOM 1073 NE2 GLN A 70 -9.598 2.849 10.459 1.00 0.00 N flip ATOM 0 H GLN A 70 -10.997 3.380 5.738 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.007 5.133 6.648 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.538 6.156 8.217 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.200 4.607 8.698 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.289 4.613 9.048 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.000 5.975 9.890 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.168 2.456 9.622 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.931 2.231 11.199 1.00 0.00 H new ATOM 1082 N SER A 71 -7.945 2.884 6.946 1.00 0.00 N ATOM 1083 CA SER A 71 -7.300 1.571 7.219 1.00 0.00 C ATOM 1084 C SER A 71 -6.143 1.773 8.199 1.00 0.00 C ATOM 1085 O SER A 71 -6.264 1.517 9.381 1.00 0.00 O ATOM 1086 CB SER A 71 -6.775 0.965 5.915 1.00 0.00 C ATOM 1087 OG SER A 71 -5.658 1.713 5.454 1.00 0.00 O ATOM 0 H SER A 71 -7.381 3.544 6.411 1.00 0.00 H new ATOM 0 HA SER A 71 -8.033 0.891 7.653 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.488 -0.074 6.076 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.561 0.965 5.160 1.00 0.00 H new ATOM 0 HG SER A 71 -5.840 2.670 5.559 1.00 0.00 H new ATOM 1093 N THR A 72 -5.025 2.238 7.716 1.00 0.00 N ATOM 1094 CA THR A 72 -3.858 2.467 8.611 1.00 0.00 C ATOM 1095 C THR A 72 -2.892 3.437 7.929 1.00 0.00 C ATOM 1096 O THR A 72 -2.972 3.672 6.740 1.00 0.00 O ATOM 1097 CB THR A 72 -3.147 1.139 8.881 1.00 0.00 C ATOM 1098 OG1 THR A 72 -2.169 1.327 9.894 1.00 0.00 O ATOM 1099 CG2 THR A 72 -2.471 0.648 7.600 1.00 0.00 C ATOM 0 H THR A 72 -4.869 2.470 6.735 1.00 0.00 H new ATOM 0 HA THR A 72 -4.197 2.888 9.557 1.00 0.00 H new ATOM 0 HB THR A 72 -3.875 0.397 9.210 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.713 0.478 10.070 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.965 -0.298 7.795 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.223 0.504 6.824 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.742 1.387 7.267 1.00 0.00 H new ATOM 1107 N SER A 73 -1.978 4.001 8.668 1.00 0.00 N ATOM 1108 CA SER A 73 -1.010 4.952 8.053 1.00 0.00 C ATOM 1109 C SER A 73 0.397 4.368 8.147 1.00 0.00 C ATOM 1110 O SER A 73 0.856 3.994 9.208 1.00 0.00 O ATOM 1111 CB SER A 73 -1.062 6.289 8.794 1.00 0.00 C ATOM 1112 OG SER A 73 0.117 7.031 8.509 1.00 0.00 O ATOM 0 H SER A 73 -1.859 3.845 9.669 1.00 0.00 H new ATOM 0 HA SER A 73 -1.270 5.112 7.007 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.943 6.853 8.488 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.148 6.120 9.867 1.00 0.00 H new ATOM 0 HG SER A 73 0.086 7.889 8.981 1.00 0.00 H new ATOM 1118 N THR A 74 1.085 4.281 7.043 1.00 0.00 N ATOM 1119 CA THR A 74 2.461 3.714 7.070 1.00 0.00 C ATOM 1120 C THR A 74 3.483 4.830 6.853 1.00 0.00 C ATOM 1121 O THR A 74 3.714 5.266 5.742 1.00 0.00 O ATOM 1122 CB THR A 74 2.606 2.670 5.958 1.00 0.00 C ATOM 1123 OG1 THR A 74 1.728 1.582 6.215 1.00 0.00 O ATOM 1124 CG2 THR A 74 4.048 2.161 5.915 1.00 0.00 C ATOM 0 H THR A 74 0.754 4.578 6.125 1.00 0.00 H new ATOM 0 HA THR A 74 2.637 3.245 8.038 1.00 0.00 H new ATOM 0 HB THR A 74 2.355 3.125 5.000 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.252 0.787 6.449 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.148 1.419 5.123 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.722 2.995 5.718 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.302 1.707 6.873 1.00 0.00 H new ATOM 1132 N THR A 75 4.110 5.286 7.902 1.00 0.00 N ATOM 1133 CA THR A 75 5.128 6.358 7.747 1.00 0.00 C ATOM 1134 C THR A 75 6.421 5.718 7.252 1.00 0.00 C ATOM 1135 O THR A 75 7.325 5.451 8.017 1.00 0.00 O ATOM 1136 CB THR A 75 5.374 7.039 9.095 1.00 0.00 C ATOM 1137 OG1 THR A 75 4.216 7.771 9.470 1.00 0.00 O ATOM 1138 CG2 THR A 75 6.566 7.990 8.979 1.00 0.00 C ATOM 0 H THR A 75 3.961 4.962 8.858 1.00 0.00 H new ATOM 0 HA THR A 75 4.780 7.107 7.036 1.00 0.00 H new ATOM 0 HB THR A 75 5.589 6.284 9.851 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.370 8.207 10.334 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.740 8.474 9.940 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.454 7.427 8.690 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.355 8.747 8.224 1.00 0.00 H new ATOM 1146 N PHE A 76 6.495 5.454 5.976 1.00 0.00 N ATOM 1147 CA PHE A 76 7.709 4.812 5.398 1.00 0.00 C ATOM 1148 C PHE A 76 8.964 5.342 6.101 1.00 0.00 C ATOM 1149 O PHE A 76 9.006 6.484 6.515 1.00 0.00 O ATOM 1150 CB PHE A 76 7.773 5.124 3.903 1.00 0.00 C ATOM 1151 CG PHE A 76 6.976 4.088 3.141 1.00 0.00 C ATOM 1152 CD1 PHE A 76 5.589 3.980 3.330 1.00 0.00 C ATOM 1153 CD2 PHE A 76 7.625 3.229 2.248 1.00 0.00 C ATOM 1154 CE1 PHE A 76 4.861 3.016 2.625 1.00 0.00 C ATOM 1155 CE2 PHE A 76 6.895 2.266 1.544 1.00 0.00 C ATOM 1156 CZ PHE A 76 5.514 2.159 1.732 1.00 0.00 C ATOM 0 H PHE A 76 5.757 5.658 5.302 1.00 0.00 H new ATOM 0 HA PHE A 76 7.659 3.733 5.543 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.374 6.120 3.710 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.809 5.124 3.564 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.085 4.641 4.019 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.692 3.310 2.102 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.794 2.933 2.770 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.399 1.605 0.855 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.951 1.415 1.188 1.00 0.00 H new ATOM 1166 N PRO A 77 9.945 4.485 6.230 1.00 0.00 N ATOM 1167 CA PRO A 77 11.213 4.824 6.899 1.00 0.00 C ATOM 1168 C PRO A 77 12.088 5.697 5.999 1.00 0.00 C ATOM 1169 O PRO A 77 11.819 5.865 4.826 1.00 0.00 O ATOM 1170 CB PRO A 77 11.866 3.461 7.147 1.00 0.00 C ATOM 1171 CG PRO A 77 11.230 2.482 6.133 1.00 0.00 C ATOM 1172 CD PRO A 77 9.884 3.101 5.713 1.00 0.00 C ATOM 0 HA PRO A 77 11.069 5.396 7.816 1.00 0.00 H new ATOM 0 HB2 PRO A 77 12.946 3.517 7.009 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.693 3.128 8.170 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.879 2.343 5.269 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.082 1.500 6.582 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.759 3.085 4.630 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.043 2.553 6.139 1.00 0.00 H new ATOM 1180 N ALA A 78 13.134 6.254 6.545 1.00 0.00 N ATOM 1181 CA ALA A 78 14.031 7.117 5.732 1.00 0.00 C ATOM 1182 C ALA A 78 15.053 6.244 5.003 1.00 0.00 C ATOM 1183 O ALA A 78 16.017 6.733 4.448 1.00 0.00 O ATOM 1184 CB ALA A 78 14.763 8.096 6.651 1.00 0.00 C ATOM 0 H ALA A 78 13.405 6.147 7.522 1.00 0.00 H new ATOM 0 HA ALA A 78 13.441 7.672 5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.421 8.730 6.057 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.036 8.717 7.174 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.354 7.540 7.378 1.00 0.00 H new ATOM 1190 N ASP A 79 14.850 4.956 4.998 1.00 0.00 N ATOM 1191 CA ASP A 79 15.811 4.057 4.304 1.00 0.00 C ATOM 1192 C ASP A 79 15.254 3.685 2.930 1.00 0.00 C ATOM 1193 O ASP A 79 15.995 3.353 2.028 1.00 0.00 O ATOM 1194 CB ASP A 79 16.017 2.787 5.132 1.00 0.00 C ATOM 1195 CG ASP A 79 17.506 2.438 5.169 1.00 0.00 C ATOM 1196 OD1 ASP A 79 18.101 2.353 4.108 1.00 0.00 O ATOM 1197 OD2 ASP A 79 18.027 2.262 6.259 1.00 0.00 O ATOM 0 H ASP A 79 14.061 4.488 5.444 1.00 0.00 H new ATOM 0 HA ASP A 79 16.766 4.569 4.185 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.642 2.936 6.145 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.450 1.962 4.700 1.00 0.00 H new ATOM 1202 N ALA A 80 13.954 3.745 2.770 1.00 0.00 N ATOM 1203 CA ALA A 80 13.331 3.400 1.455 1.00 0.00 C ATOM 1204 C ALA A 80 14.227 3.891 0.312 1.00 0.00 C ATOM 1205 O ALA A 80 14.169 5.045 -0.062 1.00 0.00 O ATOM 1206 CB ALA A 80 11.962 4.077 1.352 1.00 0.00 C ATOM 0 H ALA A 80 13.295 4.020 3.498 1.00 0.00 H new ATOM 0 HA ALA A 80 13.215 2.319 1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.504 3.828 0.395 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.322 3.728 2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 80 12.084 5.158 1.426 1.00 0.00 H new ATOM 1212 N PRO A 81 15.038 2.999 -0.203 1.00 0.00 N ATOM 1213 CA PRO A 81 15.973 3.313 -1.299 1.00 0.00 C ATOM 1214 C PRO A 81 15.241 3.344 -2.644 1.00 0.00 C ATOM 1215 O PRO A 81 14.040 3.179 -2.714 1.00 0.00 O ATOM 1216 CB PRO A 81 16.978 2.159 -1.253 1.00 0.00 C ATOM 1217 CG PRO A 81 16.264 0.984 -0.541 1.00 0.00 C ATOM 1218 CD PRO A 81 15.096 1.594 0.257 1.00 0.00 C ATOM 0 HA PRO A 81 16.443 4.290 -1.191 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.287 1.873 -2.258 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.879 2.450 -0.713 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.899 0.256 -1.266 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.952 0.457 0.121 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.161 1.071 0.058 1.00 0.00 H new ATOM 0 HD3 PRO A 81 15.273 1.533 1.331 1.00 0.00 H new ATOM 1226 N ALA A 82 15.961 3.552 -3.714 1.00 0.00 N ATOM 1227 CA ALA A 82 15.313 3.591 -5.055 1.00 0.00 C ATOM 1228 C ALA A 82 14.854 2.182 -5.435 1.00 0.00 C ATOM 1229 O ALA A 82 15.619 1.239 -5.401 1.00 0.00 O ATOM 1230 CB ALA A 82 16.315 4.097 -6.095 1.00 0.00 C ATOM 0 H ALA A 82 16.971 3.697 -3.716 1.00 0.00 H new ATOM 0 HA ALA A 82 14.454 4.262 -5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.839 4.125 -7.075 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.646 5.099 -5.824 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.175 3.428 -6.128 1.00 0.00 H new ATOM 1236 N GLY A 83 13.610 2.032 -5.794 1.00 0.00 N ATOM 1237 CA GLY A 83 13.100 0.685 -6.174 1.00 0.00 C ATOM 1238 C GLY A 83 11.573 0.720 -6.237 1.00 0.00 C ATOM 1239 O GLY A 83 10.927 1.419 -5.482 1.00 0.00 O ATOM 0 H GLY A 83 12.923 2.785 -5.841 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.508 0.389 -7.140 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.428 -0.059 -5.448 1.00 0.00 H new ATOM 1243 N GLU A 84 10.990 -0.025 -7.136 1.00 0.00 N ATOM 1244 CA GLU A 84 9.505 -0.029 -7.249 1.00 0.00 C ATOM 1245 C GLU A 84 8.912 -1.030 -6.255 1.00 0.00 C ATOM 1246 O GLU A 84 9.139 -2.221 -6.344 1.00 0.00 O ATOM 1247 CB GLU A 84 9.104 -0.427 -8.671 1.00 0.00 C ATOM 1248 CG GLU A 84 8.793 0.829 -9.488 1.00 0.00 C ATOM 1249 CD GLU A 84 8.223 0.425 -10.849 1.00 0.00 C ATOM 1250 OE1 GLU A 84 8.994 -0.020 -11.683 1.00 0.00 O ATOM 1251 OE2 GLU A 84 7.026 0.565 -11.032 1.00 0.00 O ATOM 0 H GLU A 84 11.478 -0.630 -7.796 1.00 0.00 H new ATOM 0 HA GLU A 84 9.125 0.968 -7.026 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.910 -0.989 -9.143 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.232 -1.081 -8.644 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.078 1.455 -8.954 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.698 1.422 -9.622 1.00 0.00 H new ATOM 1258 N TYR A 85 8.139 -0.556 -5.317 1.00 0.00 N ATOM 1259 CA TYR A 85 7.513 -1.475 -4.325 1.00 0.00 C ATOM 1260 C TYR A 85 6.134 -1.877 -4.845 1.00 0.00 C ATOM 1261 O TYR A 85 5.522 -1.155 -5.605 1.00 0.00 O ATOM 1262 CB TYR A 85 7.371 -0.756 -2.981 1.00 0.00 C ATOM 1263 CG TYR A 85 8.733 -0.304 -2.510 1.00 0.00 C ATOM 1264 CD1 TYR A 85 9.365 0.780 -3.132 1.00 0.00 C ATOM 1265 CD2 TYR A 85 9.367 -0.971 -1.455 1.00 0.00 C ATOM 1266 CE1 TYR A 85 10.628 1.197 -2.701 1.00 0.00 C ATOM 1267 CE2 TYR A 85 10.631 -0.553 -1.022 1.00 0.00 C ATOM 1268 CZ TYR A 85 11.262 0.531 -1.646 1.00 0.00 C ATOM 1269 OH TYR A 85 12.508 0.943 -1.222 1.00 0.00 O ATOM 0 H TYR A 85 7.913 0.431 -5.195 1.00 0.00 H new ATOM 0 HA TYR A 85 8.132 -2.361 -4.187 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.706 0.101 -3.083 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.922 -1.422 -2.245 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.876 1.295 -3.946 1.00 0.00 H new ATOM 0 HD2 TYR A 85 8.881 -1.808 -0.975 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.114 2.033 -3.182 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.120 -1.066 -0.207 1.00 0.00 H new ATOM 0 HH TYR A 85 12.836 1.653 -1.812 1.00 0.00 H new ATOM 1279 N THR A 86 5.636 -3.020 -4.462 1.00 0.00 N ATOM 1280 CA THR A 86 4.298 -3.431 -4.969 1.00 0.00 C ATOM 1281 C THR A 86 3.470 -4.069 -3.856 1.00 0.00 C ATOM 1282 O THR A 86 3.778 -5.138 -3.369 1.00 0.00 O ATOM 1283 CB THR A 86 4.463 -4.438 -6.109 1.00 0.00 C ATOM 1284 OG1 THR A 86 5.342 -3.905 -7.088 1.00 0.00 O ATOM 1285 CG2 THR A 86 3.098 -4.718 -6.740 1.00 0.00 C ATOM 0 H THR A 86 6.090 -3.679 -3.829 1.00 0.00 H new ATOM 0 HA THR A 86 3.782 -2.541 -5.330 1.00 0.00 H new ATOM 0 HB THR A 86 4.879 -5.367 -5.719 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.449 -4.550 -7.818 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.213 -5.435 -7.553 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.426 -5.128 -5.986 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.681 -3.790 -7.131 1.00 0.00 H new ATOM 1293 N PHE A 87 2.399 -3.431 -3.476 1.00 0.00 N ATOM 1294 CA PHE A 87 1.521 -4.004 -2.427 1.00 0.00 C ATOM 1295 C PHE A 87 0.227 -4.482 -3.080 1.00 0.00 C ATOM 1296 O PHE A 87 -0.159 -4.008 -4.130 1.00 0.00 O ATOM 1297 CB PHE A 87 1.216 -2.962 -1.350 1.00 0.00 C ATOM 1298 CG PHE A 87 1.288 -1.584 -1.948 1.00 0.00 C ATOM 1299 CD1 PHE A 87 2.519 -0.927 -2.021 1.00 0.00 C ATOM 1300 CD2 PHE A 87 0.133 -0.969 -2.434 1.00 0.00 C ATOM 1301 CE1 PHE A 87 2.597 0.349 -2.580 1.00 0.00 C ATOM 1302 CE2 PHE A 87 0.208 0.308 -2.995 1.00 0.00 C ATOM 1303 CZ PHE A 87 1.441 0.970 -3.069 1.00 0.00 C ATOM 0 H PHE A 87 2.095 -2.532 -3.851 1.00 0.00 H new ATOM 0 HA PHE A 87 2.027 -4.842 -1.948 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.225 -3.136 -0.931 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.929 -3.052 -0.530 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.410 -1.407 -1.645 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.817 -1.480 -2.376 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.548 0.857 -2.636 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.684 0.785 -3.372 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.500 1.957 -3.502 1.00 0.00 H new ATOM 1313 N TYR A 88 -0.439 -5.428 -2.486 1.00 0.00 N ATOM 1314 CA TYR A 88 -1.693 -5.939 -3.097 1.00 0.00 C ATOM 1315 C TYR A 88 -2.711 -6.274 -2.006 1.00 0.00 C ATOM 1316 O TYR A 88 -2.655 -5.755 -0.908 1.00 0.00 O ATOM 1317 CB TYR A 88 -1.375 -7.199 -3.904 1.00 0.00 C ATOM 1318 CG TYR A 88 -0.831 -8.253 -2.972 1.00 0.00 C ATOM 1319 CD1 TYR A 88 0.407 -8.059 -2.348 1.00 0.00 C ATOM 1320 CD2 TYR A 88 -1.564 -9.419 -2.727 1.00 0.00 C ATOM 1321 CE1 TYR A 88 0.912 -9.031 -1.478 1.00 0.00 C ATOM 1322 CE2 TYR A 88 -1.059 -10.392 -1.856 1.00 0.00 C ATOM 1323 CZ TYR A 88 0.179 -10.198 -1.232 1.00 0.00 C ATOM 1324 OH TYR A 88 0.677 -11.157 -0.374 1.00 0.00 O ATOM 0 H TYR A 88 -0.170 -5.869 -1.606 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.115 -5.175 -3.750 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.273 -7.564 -4.402 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.647 -6.973 -4.684 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.972 -7.159 -2.538 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.519 -9.569 -3.209 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.867 -8.881 -0.996 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.625 -11.292 -1.666 1.00 0.00 H new ATOM 0 HH TYR A 88 0.044 -11.902 -0.314 1.00 0.00 H new ATOM 1334 N CYS A 89 -3.645 -7.137 -2.302 1.00 0.00 N ATOM 1335 CA CYS A 89 -4.671 -7.506 -1.292 1.00 0.00 C ATOM 1336 C CYS A 89 -4.832 -9.028 -1.260 1.00 0.00 C ATOM 1337 O CYS A 89 -4.831 -9.684 -2.282 1.00 0.00 O ATOM 1338 CB CYS A 89 -6.002 -6.859 -1.672 1.00 0.00 C ATOM 1339 SG CYS A 89 -6.883 -6.358 -0.175 1.00 0.00 S ATOM 0 H CYS A 89 -3.740 -7.603 -3.204 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.361 -7.156 -0.307 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.828 -5.993 -2.310 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.608 -7.560 -2.245 1.00 0.00 H new ATOM 0 HG CYS A 89 -7.248 -5.115 -0.282 1.00 0.00 H new ATOM 1344 N GLU A 90 -4.966 -9.592 -0.092 1.00 0.00 N ATOM 1345 CA GLU A 90 -5.122 -11.069 0.014 1.00 0.00 C ATOM 1346 C GLU A 90 -6.567 -11.496 -0.301 1.00 0.00 C ATOM 1347 O GLU A 90 -6.769 -12.480 -0.985 1.00 0.00 O ATOM 1348 CB GLU A 90 -4.747 -11.521 1.428 1.00 0.00 C ATOM 1349 CG GLU A 90 -4.776 -13.049 1.500 1.00 0.00 C ATOM 1350 CD GLU A 90 -4.546 -13.497 2.944 1.00 0.00 C ATOM 1351 OE1 GLU A 90 -3.928 -12.750 3.684 1.00 0.00 O ATOM 1352 OE2 GLU A 90 -4.991 -14.580 3.285 1.00 0.00 O ATOM 0 H GLU A 90 -4.974 -9.091 0.797 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.461 -11.540 -0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.754 -11.153 1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.443 -11.099 2.153 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.735 -13.422 1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.007 -13.469 0.851 1.00 0.00 H new ATOM 1359 N PRO A 91 -7.538 -10.767 0.207 1.00 0.00 N ATOM 1360 CA PRO A 91 -8.958 -11.093 -0.019 1.00 0.00 C ATOM 1361 C PRO A 91 -9.403 -10.674 -1.427 1.00 0.00 C ATOM 1362 O PRO A 91 -10.053 -11.425 -2.127 1.00 0.00 O ATOM 1363 CB PRO A 91 -9.691 -10.288 1.058 1.00 0.00 C ATOM 1364 CG PRO A 91 -8.742 -9.138 1.466 1.00 0.00 C ATOM 1365 CD PRO A 91 -7.324 -9.564 1.042 1.00 0.00 C ATOM 0 HA PRO A 91 -9.162 -12.162 0.045 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -10.634 -9.896 0.676 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -9.931 -10.916 1.916 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.029 -8.207 0.977 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -8.788 -8.961 2.541 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.822 -8.775 0.482 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.700 -9.786 1.908 1.00 0.00 H new ATOM 1373 N HIS A 92 -9.062 -9.487 -1.850 1.00 0.00 N ATOM 1374 CA HIS A 92 -9.473 -9.038 -3.213 1.00 0.00 C ATOM 1375 C HIS A 92 -8.282 -9.147 -4.171 1.00 0.00 C ATOM 1376 O HIS A 92 -8.134 -8.355 -5.081 1.00 0.00 O ATOM 1377 CB HIS A 92 -9.938 -7.583 -3.154 1.00 0.00 C ATOM 1378 CG HIS A 92 -10.861 -7.395 -1.982 1.00 0.00 C ATOM 1379 ND1 HIS A 92 -12.230 -7.331 -1.890 1.00 0.00 N flip ATOM 1380 CD2 HIS A 92 -10.379 -7.262 -0.686 1.00 0.00 C flip ATOM 1381 CE1 HIS A 92 -12.591 -7.172 -0.565 1.00 0.00 C flip ATOM 1382 NE2 HIS A 92 -11.453 -7.137 0.119 1.00 0.00 N flip ATOM 0 H HIS A 92 -8.519 -8.810 -1.314 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.288 -9.669 -3.568 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -9.078 -6.919 -3.063 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.449 -7.316 -4.079 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -9.343 -7.259 -0.382 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -13.592 -7.093 -0.168 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -11.398 -7.029 1.132 1.00 0.00 H new ATOM 1390 N ARG A 93 -7.430 -10.117 -3.975 1.00 0.00 N ATOM 1391 CA ARG A 93 -6.250 -10.267 -4.876 1.00 0.00 C ATOM 1392 C ARG A 93 -6.709 -10.248 -6.335 1.00 0.00 C ATOM 1393 O ARG A 93 -6.041 -9.715 -7.198 1.00 0.00 O ATOM 1394 CB ARG A 93 -5.545 -11.593 -4.585 1.00 0.00 C ATOM 1395 CG ARG A 93 -4.409 -11.796 -5.592 1.00 0.00 C ATOM 1396 CD ARG A 93 -3.487 -12.917 -5.107 1.00 0.00 C ATOM 1397 NE ARG A 93 -2.103 -12.670 -5.601 1.00 0.00 N ATOM 1398 CZ ARG A 93 -1.860 -12.648 -6.883 1.00 0.00 C ATOM 1399 NH1 ARG A 93 -2.735 -13.130 -7.722 1.00 0.00 N ATOM 1400 NH2 ARG A 93 -0.739 -12.146 -7.324 1.00 0.00 N ATOM 0 H ARG A 93 -7.499 -10.811 -3.231 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.560 -9.441 -4.701 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -5.150 -11.592 -3.569 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.255 -12.417 -4.650 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -4.818 -12.046 -6.571 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -3.844 -10.871 -5.709 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.493 -12.962 -4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.847 -13.880 -5.468 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.345 -12.518 -4.936 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.610 -13.524 -7.376 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -2.544 -13.112 -8.724 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.054 -11.772 -6.667 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.547 -12.128 -8.326 1.00 0.00 H new ATOM 1414 N GLY A 94 -7.843 -10.828 -6.618 1.00 0.00 N ATOM 1415 CA GLY A 94 -8.342 -10.844 -8.023 1.00 0.00 C ATOM 1416 C GLY A 94 -9.329 -9.695 -8.227 1.00 0.00 C ATOM 1417 O GLY A 94 -10.342 -9.843 -8.882 1.00 0.00 O ATOM 0 H GLY A 94 -8.446 -11.291 -5.938 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.507 -10.748 -8.718 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.827 -11.796 -8.237 1.00 0.00 H new ATOM 1421 N ALA A 95 -9.044 -8.550 -7.672 1.00 0.00 N ATOM 1422 CA ALA A 95 -9.969 -7.395 -7.838 1.00 0.00 C ATOM 1423 C ALA A 95 -9.167 -6.146 -8.202 1.00 0.00 C ATOM 1424 O ALA A 95 -9.513 -5.041 -7.836 1.00 0.00 O ATOM 1425 CB ALA A 95 -10.731 -7.158 -6.533 1.00 0.00 C ATOM 0 H ALA A 95 -8.212 -8.364 -7.112 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.680 -7.611 -8.635 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -11.408 -6.312 -6.655 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.306 -8.049 -6.280 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.023 -6.943 -5.732 1.00 0.00 H new ATOM 1431 N GLY A 96 -8.100 -6.316 -8.930 1.00 0.00 N ATOM 1432 CA GLY A 96 -7.271 -5.146 -9.335 1.00 0.00 C ATOM 1433 C GLY A 96 -6.779 -4.391 -8.096 1.00 0.00 C ATOM 1434 O GLY A 96 -6.470 -3.219 -8.159 1.00 0.00 O ATOM 0 H GLY A 96 -7.764 -7.219 -9.264 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -6.420 -5.482 -9.927 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -7.856 -4.479 -9.968 1.00 0.00 H new ATOM 1438 N MET A 97 -6.696 -5.050 -6.971 1.00 0.00 N ATOM 1439 CA MET A 97 -6.213 -4.355 -5.742 1.00 0.00 C ATOM 1440 C MET A 97 -4.687 -4.444 -5.680 1.00 0.00 C ATOM 1441 O MET A 97 -4.129 -5.158 -4.871 1.00 0.00 O ATOM 1442 CB MET A 97 -6.812 -5.021 -4.499 1.00 0.00 C ATOM 1443 CG MET A 97 -8.339 -5.014 -4.597 1.00 0.00 C ATOM 1444 SD MET A 97 -9.051 -4.469 -3.023 1.00 0.00 S ATOM 1445 CE MET A 97 -8.669 -2.710 -3.185 1.00 0.00 C ATOM 0 H MET A 97 -6.940 -6.033 -6.850 1.00 0.00 H new ATOM 0 HA MET A 97 -6.521 -3.310 -5.773 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.448 -6.045 -4.412 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.493 -4.492 -3.601 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.658 -4.350 -5.400 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.701 -6.012 -4.845 1.00 0.00 H new ATOM 0 HE1 MET A 97 -9.515 -2.120 -2.832 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.787 -2.473 -2.590 1.00 0.00 H new ATOM 0 HE3 MET A 97 -8.474 -2.475 -4.231 1.00 0.00 H new ATOM 1455 N VAL A 98 -4.007 -3.726 -6.532 1.00 0.00 N ATOM 1456 CA VAL A 98 -2.517 -3.773 -6.524 1.00 0.00 C ATOM 1457 C VAL A 98 -1.959 -2.357 -6.692 1.00 0.00 C ATOM 1458 O VAL A 98 -2.321 -1.642 -7.606 1.00 0.00 O ATOM 1459 CB VAL A 98 -2.032 -4.650 -7.681 1.00 0.00 C ATOM 1460 CG1 VAL A 98 -0.503 -4.659 -7.713 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -2.545 -6.080 -7.488 1.00 0.00 C ATOM 0 H VAL A 98 -4.418 -3.109 -7.233 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.171 -4.189 -5.578 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.412 -4.250 -8.621 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.160 -5.284 -8.537 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.136 -3.642 -7.852 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.122 -5.057 -6.773 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.200 -6.705 -8.312 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.166 -6.479 -6.547 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.635 -6.076 -7.468 1.00 0.00 H new ATOM 1471 N GLY A 99 -1.078 -1.947 -5.821 1.00 0.00 N ATOM 1472 CA GLY A 99 -0.497 -0.583 -5.934 1.00 0.00 C ATOM 1473 C GLY A 99 1.030 -0.684 -6.010 1.00 0.00 C ATOM 1474 O GLY A 99 1.584 -1.764 -6.075 1.00 0.00 O ATOM 0 H GLY A 99 -0.736 -2.500 -5.035 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.884 -0.084 -6.822 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.790 0.021 -5.075 1.00 0.00 H new ATOM 1478 N LYS A 100 1.716 0.430 -6.008 1.00 0.00 N ATOM 1479 CA LYS A 100 3.207 0.383 -6.087 1.00 0.00 C ATOM 1480 C LYS A 100 3.803 1.722 -5.635 1.00 0.00 C ATOM 1481 O LYS A 100 3.518 2.759 -6.199 1.00 0.00 O ATOM 1482 CB LYS A 100 3.631 0.118 -7.535 1.00 0.00 C ATOM 1483 CG LYS A 100 3.337 -1.336 -7.906 1.00 0.00 C ATOM 1484 CD LYS A 100 4.292 -1.784 -9.013 1.00 0.00 C ATOM 1485 CE LYS A 100 3.571 -2.764 -9.940 1.00 0.00 C ATOM 1486 NZ LYS A 100 4.196 -2.725 -11.293 1.00 0.00 N ATOM 0 H LYS A 100 1.311 1.365 -5.955 1.00 0.00 H new ATOM 0 HA LYS A 100 3.569 -0.413 -5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.097 0.789 -8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.694 0.325 -7.655 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.452 -1.976 -7.031 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.304 -1.435 -8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.641 -0.920 -9.579 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.173 -2.258 -8.579 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.626 -3.773 -9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.514 -2.505 -10.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.705 -3.392 -11.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.122 -1.763 -11.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.198 -2.993 -11.220 1.00 0.00 H new ATOM 1500 N ILE A 101 4.647 1.706 -4.636 1.00 0.00 N ATOM 1501 CA ILE A 101 5.275 2.978 -4.172 1.00 0.00 C ATOM 1502 C ILE A 101 6.556 3.212 -4.987 1.00 0.00 C ATOM 1503 O ILE A 101 7.457 2.400 -4.983 1.00 0.00 O ATOM 1504 CB ILE A 101 5.590 2.883 -2.657 1.00 0.00 C ATOM 1505 CG1 ILE A 101 4.676 3.857 -1.893 1.00 0.00 C ATOM 1506 CG2 ILE A 101 7.062 3.231 -2.375 1.00 0.00 C ATOM 1507 CD1 ILE A 101 5.241 4.136 -0.491 1.00 0.00 C ATOM 0 H ILE A 101 4.928 0.870 -4.123 1.00 0.00 H new ATOM 0 HA ILE A 101 4.596 3.817 -4.322 1.00 0.00 H new ATOM 0 HB ILE A 101 5.413 1.860 -2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 101 4.585 4.791 -2.448 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.674 3.436 -1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.255 3.156 -1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 101 7.709 2.536 -2.910 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.266 4.248 -2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.583 4.827 0.036 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.308 3.202 0.067 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.234 4.578 -0.580 1.00 0.00 H new ATOM 1519 N THR A 102 6.646 4.311 -5.680 1.00 0.00 N ATOM 1520 CA THR A 102 7.875 4.579 -6.479 1.00 0.00 C ATOM 1521 C THR A 102 8.771 5.556 -5.717 1.00 0.00 C ATOM 1522 O THR A 102 8.535 6.748 -5.702 1.00 0.00 O ATOM 1523 CB THR A 102 7.486 5.183 -7.831 1.00 0.00 C ATOM 1524 OG1 THR A 102 6.094 4.997 -8.046 1.00 0.00 O ATOM 1525 CG2 THR A 102 8.274 4.492 -8.946 1.00 0.00 C ATOM 0 H THR A 102 5.927 5.033 -5.729 1.00 0.00 H new ATOM 0 HA THR A 102 8.414 3.646 -6.645 1.00 0.00 H new ATOM 0 HB THR A 102 7.716 6.248 -7.834 1.00 0.00 H new ATOM 0 HG1 THR A 102 5.842 5.384 -8.910 1.00 0.00 H new ATOM 0 HG21 THR A 102 7.997 4.922 -9.908 1.00 0.00 H new ATOM 0 HG22 THR A 102 9.342 4.634 -8.779 1.00 0.00 H new ATOM 0 HG23 THR A 102 8.046 3.426 -8.946 1.00 0.00 H new ATOM 1533 N VAL A 103 9.797 5.060 -5.080 1.00 0.00 N ATOM 1534 CA VAL A 103 10.708 5.958 -4.317 1.00 0.00 C ATOM 1535 C VAL A 103 11.958 6.242 -5.153 1.00 0.00 C ATOM 1536 O VAL A 103 12.722 5.351 -5.465 1.00 0.00 O ATOM 1537 CB VAL A 103 11.113 5.279 -3.005 1.00 0.00 C ATOM 1538 CG1 VAL A 103 11.583 6.336 -2.004 1.00 0.00 C ATOM 1539 CG2 VAL A 103 9.910 4.533 -2.422 1.00 0.00 C ATOM 0 H VAL A 103 10.043 4.070 -5.056 1.00 0.00 H new ATOM 0 HA VAL A 103 10.197 6.895 -4.097 1.00 0.00 H new ATOM 0 HB VAL A 103 11.922 4.575 -3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 103 11.871 5.851 -1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 103 12.440 6.870 -2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.774 7.041 -1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 103 10.199 4.050 -1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.102 5.239 -2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.571 3.778 -3.131 1.00 0.00 H new ATOM 1549 N ALA A 104 12.172 7.476 -5.520 1.00 0.00 N ATOM 1550 CA ALA A 104 13.373 7.810 -6.337 1.00 0.00 C ATOM 1551 C ALA A 104 14.636 7.530 -5.521 1.00 0.00 C ATOM 1552 O ALA A 104 14.578 6.981 -4.439 1.00 0.00 O ATOM 1553 CB ALA A 104 13.332 9.290 -6.723 1.00 0.00 C ATOM 0 H ALA A 104 11.569 8.266 -5.290 1.00 0.00 H new ATOM 0 HA ALA A 104 13.380 7.200 -7.240 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.210 9.535 -7.320 1.00 0.00 H new ATOM 0 HB2 ALA A 104 12.431 9.490 -7.303 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.325 9.901 -5.821 1.00 0.00 H new