USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 922 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 51 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0768 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 6:sc= 0.11 USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= -0.05 (180deg=-0.296) USER MOD Single : A 29 SER OG : rot 113:sc= 0.0663 USER MOD Single : A 34 GLN : amide:sc= -1.62 X(o=-1.6,f=-1.6!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot -82:sc= -1.15 USER MOD Single : A 45 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.8) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 MET CE :methyl -132:sc= -0.329 (180deg=-1.29) USER MOD Single : A 66 HIS : no HD1:sc= -0.405 K(o=-0.41,f=-1.2) USER MOD Single : A 67 ASN : amide:sc= -0.0734 K(o=-0.073,f=-1.6!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 74 HIS : no HE2:sc= -0.976 K(o=-0.98,f=-2.8!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -124:sc= -0.188 (180deg=-0.951) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 154:sc= 1.5 (180deg=0.251) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 122:sc= 0.276 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 13:sc= 0.668 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 TYR OH : rot 30:sc= -1.4 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HD1:sc= -0.14 F(o=-0.79,f=-0.14) USER MOD Single : A 108 THR OG1 : rot 180:sc=-0.00535 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.100 -0.911 -41.735 1.00 0.00 N ATOM 2 CA GLY A 1 18.863 -0.969 -40.979 1.00 0.00 C ATOM 3 C GLY A 1 18.808 -2.162 -40.046 1.00 0.00 C ATOM 4 O GLY A 1 19.680 -3.031 -40.088 1.00 0.00 O ATOM 0 H1 GLY A 1 20.580 -0.008 -41.547 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.718 -1.697 -41.450 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.890 -0.987 -42.751 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.752 -0.053 -40.399 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.021 -1.013 -41.669 1.00 0.00 H new ATOM 8 N SER A 2 17.783 -2.205 -39.201 1.00 0.00 N ATOM 9 CA SER A 2 17.622 -3.297 -38.250 1.00 0.00 C ATOM 10 C SER A 2 16.375 -4.115 -38.569 1.00 0.00 C ATOM 11 O SER A 2 15.460 -3.638 -39.239 1.00 0.00 O ATOM 12 CB SER A 2 17.536 -2.752 -36.823 1.00 0.00 C ATOM 13 OG SER A 2 18.665 -1.952 -36.513 1.00 0.00 O ATOM 0 H SER A 2 17.052 -1.496 -39.156 1.00 0.00 H new ATOM 0 HA SER A 2 18.493 -3.947 -38.331 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.626 -2.162 -36.710 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.469 -3.580 -36.118 1.00 0.00 H new ATOM 0 HG SER A 2 18.585 -1.614 -35.596 1.00 0.00 H new ATOM 19 N SER A 3 16.346 -5.353 -38.084 1.00 0.00 N ATOM 20 CA SER A 3 15.215 -6.241 -38.320 1.00 0.00 C ATOM 21 C SER A 3 14.222 -6.175 -37.164 1.00 0.00 C ATOM 22 O SER A 3 13.051 -5.845 -37.354 1.00 0.00 O ATOM 23 CB SER A 3 15.699 -7.680 -38.510 1.00 0.00 C ATOM 24 OG SER A 3 14.618 -8.595 -38.443 1.00 0.00 O ATOM 0 H SER A 3 17.094 -5.763 -37.525 1.00 0.00 H new ATOM 0 HA SER A 3 14.711 -5.912 -39.229 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.200 -7.774 -39.473 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.434 -7.924 -37.743 1.00 0.00 H new ATOM 0 HG SER A 3 14.953 -9.507 -38.569 1.00 0.00 H new ATOM 30 N GLY A 4 14.698 -6.492 -35.964 1.00 0.00 N ATOM 31 CA GLY A 4 13.840 -6.463 -34.794 1.00 0.00 C ATOM 32 C GLY A 4 14.082 -7.638 -33.867 1.00 0.00 C ATOM 33 O GLY A 4 14.390 -8.741 -34.320 1.00 0.00 O ATOM 0 H GLY A 4 15.663 -6.768 -35.781 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.006 -5.534 -34.249 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.797 -6.464 -35.112 1.00 0.00 H new ATOM 37 N SER A 5 13.947 -7.403 -32.566 1.00 0.00 N ATOM 38 CA SER A 5 14.159 -8.450 -31.574 1.00 0.00 C ATOM 39 C SER A 5 12.831 -8.924 -30.993 1.00 0.00 C ATOM 40 O SER A 5 11.837 -8.198 -31.013 1.00 0.00 O ATOM 41 CB SER A 5 15.067 -7.941 -30.452 1.00 0.00 C ATOM 42 OG SER A 5 15.606 -9.018 -29.705 1.00 0.00 O ATOM 0 H SER A 5 13.692 -6.496 -32.174 1.00 0.00 H new ATOM 0 HA SER A 5 14.641 -9.293 -32.068 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.877 -7.347 -30.876 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.501 -7.283 -29.792 1.00 0.00 H new ATOM 0 HG SER A 5 16.184 -8.667 -28.995 1.00 0.00 H new ATOM 48 N SER A 6 12.822 -10.148 -30.476 1.00 0.00 N ATOM 49 CA SER A 6 11.616 -10.724 -29.891 1.00 0.00 C ATOM 50 C SER A 6 11.478 -10.323 -28.426 1.00 0.00 C ATOM 51 O SER A 6 11.943 -11.027 -27.531 1.00 0.00 O ATOM 52 CB SER A 6 11.641 -12.248 -30.015 1.00 0.00 C ATOM 53 OG SER A 6 10.357 -12.800 -29.779 1.00 0.00 O ATOM 0 H SER A 6 13.637 -10.761 -30.450 1.00 0.00 H new ATOM 0 HA SER A 6 10.756 -10.337 -30.438 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.984 -12.529 -31.011 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.355 -12.662 -29.303 1.00 0.00 H new ATOM 0 HG SER A 6 10.399 -13.775 -29.866 1.00 0.00 H new ATOM 59 N GLY A 7 10.833 -9.184 -28.188 1.00 0.00 N ATOM 60 CA GLY A 7 10.644 -8.708 -26.831 1.00 0.00 C ATOM 61 C GLY A 7 11.941 -8.262 -26.187 1.00 0.00 C ATOM 62 O GLY A 7 12.498 -8.965 -25.344 1.00 0.00 O ATOM 0 H GLY A 7 10.438 -8.583 -28.912 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.940 -7.876 -26.836 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.197 -9.500 -26.230 1.00 0.00 H new ATOM 66 N GLU A 8 12.427 -7.090 -26.587 1.00 0.00 N ATOM 67 CA GLU A 8 13.669 -6.553 -26.044 1.00 0.00 C ATOM 68 C GLU A 8 13.574 -6.386 -24.530 1.00 0.00 C ATOM 69 O GLU A 8 14.575 -6.137 -23.858 1.00 0.00 O ATOM 70 CB GLU A 8 13.998 -5.209 -26.697 1.00 0.00 C ATOM 71 CG GLU A 8 13.014 -4.105 -26.347 1.00 0.00 C ATOM 72 CD GLU A 8 13.249 -2.839 -27.148 1.00 0.00 C ATOM 73 OE1 GLU A 8 13.522 -2.946 -28.361 1.00 0.00 O ATOM 74 OE2 GLU A 8 13.158 -1.741 -26.560 1.00 0.00 O ATOM 0 H GLU A 8 11.979 -6.495 -27.285 1.00 0.00 H new ATOM 0 HA GLU A 8 14.468 -7.261 -26.264 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.999 -4.902 -26.393 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.019 -5.336 -27.779 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.998 -4.459 -26.524 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.092 -3.878 -25.284 1.00 0.00 H new ATOM 81 N VAL A 9 12.363 -6.524 -24.000 1.00 0.00 N ATOM 82 CA VAL A 9 12.136 -6.388 -22.566 1.00 0.00 C ATOM 83 C VAL A 9 11.137 -7.427 -22.067 1.00 0.00 C ATOM 84 O VAL A 9 9.961 -7.399 -22.430 1.00 0.00 O ATOM 85 CB VAL A 9 11.617 -4.982 -22.211 1.00 0.00 C ATOM 86 CG1 VAL A 9 12.693 -3.937 -22.462 1.00 0.00 C ATOM 87 CG2 VAL A 9 10.357 -4.663 -23.002 1.00 0.00 C ATOM 0 H VAL A 9 11.524 -6.730 -24.542 1.00 0.00 H new ATOM 0 HA VAL A 9 13.097 -6.547 -22.077 1.00 0.00 H new ATOM 0 HB VAL A 9 11.366 -4.963 -21.150 1.00 0.00 H new ATOM 0 HG11 VAL A 9 12.308 -2.950 -22.206 1.00 0.00 H new ATOM 0 HG12 VAL A 9 13.565 -4.158 -21.847 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.978 -3.953 -23.514 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.005 -3.666 -22.738 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.578 -4.699 -24.069 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.584 -5.395 -22.766 1.00 0.00 H new ATOM 97 N LEU A 10 11.614 -8.345 -21.233 1.00 0.00 N ATOM 98 CA LEU A 10 10.764 -9.394 -20.683 1.00 0.00 C ATOM 99 C LEU A 10 10.977 -9.535 -19.179 1.00 0.00 C ATOM 100 O LEU A 10 11.207 -10.633 -18.675 1.00 0.00 O ATOM 101 CB LEU A 10 11.050 -10.726 -21.377 1.00 0.00 C ATOM 102 CG LEU A 10 9.873 -11.697 -21.478 1.00 0.00 C ATOM 103 CD1 LEU A 10 10.052 -12.631 -22.666 1.00 0.00 C ATOM 104 CD2 LEU A 10 9.726 -12.493 -20.190 1.00 0.00 C ATOM 0 H LEU A 10 12.585 -8.384 -20.923 1.00 0.00 H new ATOM 0 HA LEU A 10 9.725 -9.115 -20.860 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.411 -10.518 -22.384 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.861 -11.223 -20.845 1.00 0.00 H new ATOM 0 HG LEU A 10 8.962 -11.118 -21.630 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.205 -13.315 -22.722 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.107 -12.046 -23.584 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.972 -13.202 -22.544 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.884 -13.179 -20.280 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.638 -13.061 -20.007 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.551 -11.810 -19.358 1.00 0.00 H new ATOM 116 N ALA A 11 10.896 -8.415 -18.467 1.00 0.00 N ATOM 117 CA ALA A 11 11.076 -8.415 -17.021 1.00 0.00 C ATOM 118 C ALA A 11 9.788 -8.015 -16.308 1.00 0.00 C ATOM 119 O ALA A 11 9.761 -7.872 -15.086 1.00 0.00 O ATOM 120 CB ALA A 11 12.209 -7.479 -16.631 1.00 0.00 C ATOM 0 H ALA A 11 10.707 -7.497 -18.869 1.00 0.00 H new ATOM 0 HA ALA A 11 11.333 -9.428 -16.711 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.333 -7.489 -15.548 1.00 0.00 H new ATOM 0 HB2 ALA A 11 13.133 -7.810 -17.105 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.974 -6.467 -16.960 1.00 0.00 H new ATOM 126 N LYS A 12 8.721 -7.835 -17.080 1.00 0.00 N ATOM 127 CA LYS A 12 7.429 -7.452 -16.523 1.00 0.00 C ATOM 128 C LYS A 12 6.330 -8.398 -16.997 1.00 0.00 C ATOM 129 O LYS A 12 5.148 -8.061 -16.951 1.00 0.00 O ATOM 130 CB LYS A 12 7.085 -6.014 -16.919 1.00 0.00 C ATOM 131 CG LYS A 12 7.265 -5.733 -18.401 1.00 0.00 C ATOM 132 CD LYS A 12 5.989 -6.006 -19.180 1.00 0.00 C ATOM 133 CE LYS A 12 6.235 -5.976 -20.680 1.00 0.00 C ATOM 134 NZ LYS A 12 6.501 -4.596 -21.171 1.00 0.00 N ATOM 0 H LYS A 12 8.726 -7.948 -18.094 1.00 0.00 H new ATOM 0 HA LYS A 12 7.496 -7.517 -15.437 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.052 -5.807 -16.641 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.712 -5.329 -16.349 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.563 -4.694 -18.542 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.072 -6.352 -18.794 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.589 -6.979 -18.895 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.236 -5.263 -18.919 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.083 -6.617 -20.922 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.368 -6.385 -21.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.664 -4.618 -22.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.682 -3.990 -20.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.344 -4.215 -20.695 1.00 0.00 H new ATOM 148 N GLU A 13 6.730 -9.582 -17.450 1.00 0.00 N ATOM 149 CA GLU A 13 5.778 -10.576 -17.932 1.00 0.00 C ATOM 150 C GLU A 13 5.169 -11.354 -16.769 1.00 0.00 C ATOM 151 O GLU A 13 5.657 -11.288 -15.642 1.00 0.00 O ATOM 152 CB GLU A 13 6.461 -11.540 -18.904 1.00 0.00 C ATOM 153 CG GLU A 13 6.626 -10.976 -20.305 1.00 0.00 C ATOM 154 CD GLU A 13 5.298 -10.710 -20.987 1.00 0.00 C ATOM 155 OE1 GLU A 13 4.656 -11.681 -21.436 1.00 0.00 O ATOM 156 OE2 GLU A 13 4.902 -9.529 -21.072 1.00 0.00 O ATOM 0 H GLU A 13 7.706 -9.876 -17.493 1.00 0.00 H new ATOM 0 HA GLU A 13 4.978 -10.052 -18.455 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.442 -11.805 -18.510 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.880 -12.461 -18.958 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.196 -10.049 -20.254 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.206 -11.675 -20.908 1.00 0.00 H new ATOM 163 N GLU A 14 4.099 -12.091 -17.054 1.00 0.00 N ATOM 164 CA GLU A 14 3.423 -12.881 -16.031 1.00 0.00 C ATOM 165 C GLU A 14 3.076 -12.020 -14.821 1.00 0.00 C ATOM 166 O GLU A 14 2.936 -12.524 -13.706 1.00 0.00 O ATOM 167 CB GLU A 14 4.302 -14.057 -15.599 1.00 0.00 C ATOM 168 CG GLU A 14 4.180 -15.273 -16.503 1.00 0.00 C ATOM 169 CD GLU A 14 2.773 -15.839 -16.531 1.00 0.00 C ATOM 170 OE1 GLU A 14 2.463 -16.696 -15.678 1.00 0.00 O ATOM 171 OE2 GLU A 14 1.983 -15.426 -17.405 1.00 0.00 O ATOM 0 H GLU A 14 3.683 -12.157 -17.983 1.00 0.00 H new ATOM 0 HA GLU A 14 2.498 -13.267 -16.459 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.343 -13.733 -15.578 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.037 -14.343 -14.581 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.478 -15.000 -17.515 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.871 -16.044 -16.164 1.00 0.00 H new ATOM 178 N ALA A 15 2.938 -10.718 -15.047 1.00 0.00 N ATOM 179 CA ALA A 15 2.605 -9.787 -13.976 1.00 0.00 C ATOM 180 C ALA A 15 1.182 -9.259 -14.131 1.00 0.00 C ATOM 181 O ALA A 15 0.852 -8.184 -13.629 1.00 0.00 O ATOM 182 CB ALA A 15 3.598 -8.634 -13.951 1.00 0.00 C ATOM 0 H ALA A 15 3.052 -10.284 -15.963 1.00 0.00 H new ATOM 0 HA ALA A 15 2.665 -10.324 -13.029 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.337 -7.947 -13.146 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.603 -9.023 -13.785 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.566 -8.106 -14.904 1.00 0.00 H new ATOM 188 N ARG A 16 0.345 -10.020 -14.827 1.00 0.00 N ATOM 189 CA ARG A 16 -1.041 -9.628 -15.048 1.00 0.00 C ATOM 190 C ARG A 16 -1.905 -9.980 -13.840 1.00 0.00 C ATOM 191 O ARG A 16 -3.054 -9.549 -13.740 1.00 0.00 O ATOM 192 CB ARG A 16 -1.593 -10.310 -16.300 1.00 0.00 C ATOM 193 CG ARG A 16 -1.232 -9.596 -17.592 1.00 0.00 C ATOM 194 CD ARG A 16 -1.304 -10.535 -18.786 1.00 0.00 C ATOM 195 NE ARG A 16 -1.106 -9.829 -20.050 1.00 0.00 N ATOM 196 CZ ARG A 16 -0.768 -10.433 -21.184 1.00 0.00 C ATOM 197 NH1 ARG A 16 -0.591 -11.747 -21.212 1.00 0.00 N ATOM 198 NH2 ARG A 16 -0.606 -9.722 -22.293 1.00 0.00 N ATOM 0 H ARG A 16 0.603 -10.913 -15.248 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.068 -8.548 -15.190 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.217 -11.332 -16.342 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.678 -10.373 -16.221 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.910 -8.756 -17.747 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.226 -9.183 -17.512 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.547 -11.312 -18.682 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.273 -11.034 -18.797 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.234 -8.817 -20.062 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.714 -12.296 -20.362 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.332 -12.208 -22.084 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.741 -8.711 -22.275 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.346 -10.186 -23.163 1.00 0.00 H new ATOM 212 N ARG A 17 -1.344 -10.765 -12.926 1.00 0.00 N ATOM 213 CA ARG A 17 -2.064 -11.177 -11.728 1.00 0.00 C ATOM 214 C ARG A 17 -2.094 -10.050 -10.699 1.00 0.00 C ATOM 215 O ARG A 17 -1.107 -9.800 -10.008 1.00 0.00 O ATOM 216 CB ARG A 17 -1.414 -12.420 -11.118 1.00 0.00 C ATOM 217 CG ARG A 17 -1.797 -13.713 -11.820 1.00 0.00 C ATOM 218 CD ARG A 17 -1.137 -13.822 -13.186 1.00 0.00 C ATOM 219 NE ARG A 17 -1.741 -14.870 -14.004 1.00 0.00 N ATOM 220 CZ ARG A 17 -1.665 -14.903 -15.330 1.00 0.00 C ATOM 221 NH1 ARG A 17 -1.015 -13.951 -15.983 1.00 0.00 N ATOM 222 NH2 ARG A 17 -2.241 -15.890 -16.004 1.00 0.00 N ATOM 0 H ARG A 17 -0.393 -11.128 -12.993 1.00 0.00 H new ATOM 0 HA ARG A 17 -3.089 -11.414 -12.014 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.330 -12.306 -11.150 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.696 -12.489 -10.067 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.504 -14.563 -11.204 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.880 -13.760 -11.933 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.217 -12.866 -13.704 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.074 -14.028 -13.060 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.249 -15.618 -13.532 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.572 -13.191 -15.468 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.958 -13.978 -17.001 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.743 -16.624 -15.504 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.182 -15.915 -17.022 1.00 0.00 H new ATOM 236 N ALA A 18 -3.235 -9.375 -10.602 1.00 0.00 N ATOM 237 CA ALA A 18 -3.395 -8.276 -9.656 1.00 0.00 C ATOM 238 C ALA A 18 -4.619 -8.487 -8.772 1.00 0.00 C ATOM 239 O ALA A 18 -5.394 -7.559 -8.537 1.00 0.00 O ATOM 240 CB ALA A 18 -3.498 -6.953 -10.399 1.00 0.00 C ATOM 0 H ALA A 18 -4.062 -9.570 -11.166 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.516 -8.251 -9.012 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.617 -6.141 -9.682 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.591 -6.792 -10.982 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.359 -6.977 -11.066 1.00 0.00 H new ATOM 246 N LEU A 19 -4.787 -9.711 -8.285 1.00 0.00 N ATOM 247 CA LEU A 19 -5.919 -10.043 -7.426 1.00 0.00 C ATOM 248 C LEU A 19 -5.500 -10.076 -5.960 1.00 0.00 C ATOM 249 O LEU A 19 -6.234 -9.623 -5.085 1.00 0.00 O ATOM 250 CB LEU A 19 -6.510 -11.395 -7.830 1.00 0.00 C ATOM 251 CG LEU A 19 -5.617 -12.615 -7.601 1.00 0.00 C ATOM 252 CD1 LEU A 19 -5.840 -13.186 -6.209 1.00 0.00 C ATOM 253 CD2 LEU A 19 -5.877 -13.673 -8.663 1.00 0.00 C ATOM 0 H LEU A 19 -4.155 -10.490 -8.470 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.677 -9.269 -7.550 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.439 -11.542 -7.279 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.770 -11.354 -8.888 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.576 -12.300 -7.679 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.196 -14.053 -6.064 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.602 -12.428 -5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.882 -13.486 -6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.233 -14.534 -8.484 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.920 -13.985 -8.618 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.664 -13.259 -9.649 1.00 0.00 H new ATOM 265 N GLU A 20 -4.311 -10.614 -5.702 1.00 0.00 N ATOM 266 CA GLU A 20 -3.793 -10.705 -4.342 1.00 0.00 C ATOM 267 C GLU A 20 -3.628 -9.318 -3.729 1.00 0.00 C ATOM 268 O GLU A 20 -4.053 -9.070 -2.600 1.00 0.00 O ATOM 269 CB GLU A 20 -2.453 -11.442 -4.331 1.00 0.00 C ATOM 270 CG GLU A 20 -2.573 -12.930 -4.613 1.00 0.00 C ATOM 271 CD GLU A 20 -3.330 -13.670 -3.527 1.00 0.00 C ATOM 272 OE1 GLU A 20 -2.753 -13.877 -2.439 1.00 0.00 O ATOM 273 OE2 GLU A 20 -4.498 -14.042 -3.764 1.00 0.00 O ATOM 0 H GLU A 20 -3.689 -10.993 -6.417 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.512 -11.265 -3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.795 -10.992 -5.074 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.979 -11.302 -3.359 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.079 -13.076 -5.567 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.576 -13.359 -4.712 1.00 0.00 H new ATOM 280 N THR A 21 -3.009 -8.414 -4.482 1.00 0.00 N ATOM 281 CA THR A 21 -2.785 -7.052 -4.014 1.00 0.00 C ATOM 282 C THR A 21 -2.923 -6.050 -5.154 1.00 0.00 C ATOM 283 O THR A 21 -2.691 -6.365 -6.321 1.00 0.00 O ATOM 284 CB THR A 21 -1.391 -6.898 -3.376 1.00 0.00 C ATOM 285 OG1 THR A 21 -0.419 -6.610 -4.387 1.00 0.00 O ATOM 286 CG2 THR A 21 -0.995 -8.165 -2.632 1.00 0.00 C ATOM 0 H THR A 21 -2.654 -8.601 -5.420 1.00 0.00 H new ATOM 0 HA THR A 21 -3.545 -6.848 -3.260 1.00 0.00 H new ATOM 0 HB THR A 21 -1.430 -6.073 -2.664 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.464 -6.512 -3.973 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.007 -8.034 -2.190 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.721 -8.367 -1.845 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.972 -9.004 -3.328 1.00 0.00 H new ATOM 294 N PRO A 22 -3.309 -4.812 -4.811 1.00 0.00 N ATOM 295 CA PRO A 22 -3.485 -3.737 -5.792 1.00 0.00 C ATOM 296 C PRO A 22 -2.160 -3.266 -6.380 1.00 0.00 C ATOM 297 O PRO A 22 -1.108 -3.408 -5.757 1.00 0.00 O ATOM 298 CB PRO A 22 -4.137 -2.617 -4.977 1.00 0.00 C ATOM 299 CG PRO A 22 -3.711 -2.872 -3.573 1.00 0.00 C ATOM 300 CD PRO A 22 -3.602 -4.366 -3.438 1.00 0.00 C ATOM 0 HA PRO A 22 -4.077 -4.060 -6.649 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.807 -1.636 -5.319 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.223 -2.639 -5.071 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.756 -2.390 -3.361 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.436 -2.468 -2.866 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.810 -4.650 -2.745 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.526 -4.804 -3.062 1.00 0.00 H new ATOM 308 N SER A 23 -2.218 -2.705 -7.584 1.00 0.00 N ATOM 309 CA SER A 23 -1.021 -2.216 -8.258 1.00 0.00 C ATOM 310 C SER A 23 -0.264 -1.230 -7.374 1.00 0.00 C ATOM 311 O SER A 23 0.929 -1.397 -7.119 1.00 0.00 O ATOM 312 CB SER A 23 -1.393 -1.549 -9.583 1.00 0.00 C ATOM 313 OG SER A 23 -2.186 -2.409 -10.383 1.00 0.00 O ATOM 0 H SER A 23 -3.081 -2.578 -8.112 1.00 0.00 H new ATOM 0 HA SER A 23 -0.373 -3.069 -8.458 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.937 -0.625 -9.388 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.487 -1.277 -10.124 1.00 0.00 H new ATOM 0 HG SER A 23 -2.412 -1.958 -11.223 1.00 0.00 H new ATOM 319 N CYS A 24 -0.967 -0.203 -6.908 1.00 0.00 N ATOM 320 CA CYS A 24 -0.361 0.812 -6.053 1.00 0.00 C ATOM 321 C CYS A 24 0.596 0.177 -5.050 1.00 0.00 C ATOM 322 O CYS A 24 1.682 0.699 -4.797 1.00 0.00 O ATOM 323 CB CYS A 24 -1.446 1.598 -5.314 1.00 0.00 C ATOM 324 SG CYS A 24 -2.760 2.227 -6.384 1.00 0.00 S ATOM 0 H CYS A 24 -1.956 -0.051 -7.108 1.00 0.00 H new ATOM 0 HA CYS A 24 0.206 1.495 -6.686 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.889 0.957 -4.552 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -0.982 2.437 -4.795 1.00 0.00 H new ATOM 0 HG CYS A 24 -2.590 1.776 -7.591 1.00 0.00 H new ATOM 330 N PHE A 25 0.186 -0.951 -4.481 1.00 0.00 N ATOM 331 CA PHE A 25 1.007 -1.657 -3.503 1.00 0.00 C ATOM 332 C PHE A 25 2.454 -1.756 -3.977 1.00 0.00 C ATOM 333 O PHE A 25 2.726 -1.757 -5.178 1.00 0.00 O ATOM 334 CB PHE A 25 0.444 -3.057 -3.249 1.00 0.00 C ATOM 335 CG PHE A 25 1.247 -3.855 -2.261 1.00 0.00 C ATOM 336 CD1 PHE A 25 2.294 -4.656 -2.686 1.00 0.00 C ATOM 337 CD2 PHE A 25 0.955 -3.802 -0.907 1.00 0.00 C ATOM 338 CE1 PHE A 25 3.034 -5.392 -1.779 1.00 0.00 C ATOM 339 CE2 PHE A 25 1.691 -4.536 0.004 1.00 0.00 C ATOM 340 CZ PHE A 25 2.733 -5.331 -0.432 1.00 0.00 C ATOM 0 H PHE A 25 -0.710 -1.397 -4.680 1.00 0.00 H new ATOM 0 HA PHE A 25 0.987 -1.090 -2.572 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.580 -2.968 -2.886 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.401 -3.600 -4.193 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.535 -4.706 -3.738 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.143 -3.180 -0.560 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.847 -6.014 -2.123 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.452 -4.488 1.056 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.311 -5.904 0.278 1.00 0.00 H new ATOM 350 N LEU A 26 3.378 -1.838 -3.026 1.00 0.00 N ATOM 351 CA LEU A 26 4.798 -1.937 -3.346 1.00 0.00 C ATOM 352 C LEU A 26 5.552 -2.676 -2.245 1.00 0.00 C ATOM 353 O LEU A 26 5.126 -2.697 -1.091 1.00 0.00 O ATOM 354 CB LEU A 26 5.395 -0.543 -3.543 1.00 0.00 C ATOM 355 CG LEU A 26 4.648 0.608 -2.868 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.725 0.481 -1.354 1.00 0.00 C ATOM 357 CD2 LEU A 26 5.211 1.948 -3.321 1.00 0.00 C ATOM 0 H LEU A 26 3.170 -1.838 -2.028 1.00 0.00 H new ATOM 0 HA LEU A 26 4.899 -2.502 -4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.420 -0.552 -3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.446 -0.339 -4.613 1.00 0.00 H new ATOM 0 HG LEU A 26 3.600 0.557 -3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.188 1.309 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.274 -0.462 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.768 0.505 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.667 2.756 -2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.267 2.008 -3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.103 2.042 -4.402 1.00 0.00 H new ATOM 369 N LYS A 27 6.679 -3.279 -2.610 1.00 0.00 N ATOM 370 CA LYS A 27 7.496 -4.016 -1.655 1.00 0.00 C ATOM 371 C LYS A 27 8.671 -3.168 -1.175 1.00 0.00 C ATOM 372 O LYS A 27 9.646 -2.974 -1.900 1.00 0.00 O ATOM 373 CB LYS A 27 8.014 -5.311 -2.286 1.00 0.00 C ATOM 374 CG LYS A 27 6.985 -6.427 -2.313 1.00 0.00 C ATOM 375 CD LYS A 27 6.528 -6.799 -0.912 1.00 0.00 C ATOM 376 CE LYS A 27 5.719 -8.087 -0.913 1.00 0.00 C ATOM 377 NZ LYS A 27 6.554 -9.266 -1.274 1.00 0.00 N ATOM 0 H LYS A 27 7.047 -3.271 -3.561 1.00 0.00 H new ATOM 0 HA LYS A 27 6.872 -4.262 -0.796 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.340 -5.104 -3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.891 -5.649 -1.734 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.125 -6.116 -2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.410 -7.303 -2.803 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.396 -6.914 -0.263 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.926 -5.990 -0.498 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.280 -8.241 0.073 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.893 -7.997 -1.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.071 -10.138 -0.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.700 -9.286 -2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.475 -9.199 -0.795 1.00 0.00 H new ATOM 391 N VAL A 28 8.570 -2.665 0.052 1.00 0.00 N ATOM 392 CA VAL A 28 9.624 -1.841 0.629 1.00 0.00 C ATOM 393 C VAL A 28 9.706 -2.030 2.139 1.00 0.00 C ATOM 394 O VAL A 28 8.869 -2.708 2.736 1.00 0.00 O ATOM 395 CB VAL A 28 9.401 -0.348 0.322 1.00 0.00 C ATOM 396 CG1 VAL A 28 9.062 -0.150 -1.148 1.00 0.00 C ATOM 397 CG2 VAL A 28 8.305 0.220 1.211 1.00 0.00 C ATOM 0 H VAL A 28 7.768 -2.814 0.665 1.00 0.00 H new ATOM 0 HA VAL A 28 10.561 -2.163 0.174 1.00 0.00 H new ATOM 0 HB VAL A 28 10.325 0.191 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.908 0.911 -1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.883 -0.519 -1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.152 -0.700 -1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.160 1.276 0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.375 -0.321 1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.593 0.113 2.257 1.00 0.00 H new ATOM 407 N SER A 29 10.720 -1.427 2.752 1.00 0.00 N ATOM 408 CA SER A 29 10.913 -1.533 4.194 1.00 0.00 C ATOM 409 C SER A 29 10.088 -0.483 4.931 1.00 0.00 C ATOM 410 O SER A 29 9.848 0.609 4.414 1.00 0.00 O ATOM 411 CB SER A 29 12.394 -1.372 4.544 1.00 0.00 C ATOM 412 OG SER A 29 13.121 -2.551 4.241 1.00 0.00 O ATOM 0 H SER A 29 11.420 -0.860 2.273 1.00 0.00 H new ATOM 0 HA SER A 29 10.577 -2.521 4.509 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.812 -0.531 3.991 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.497 -1.140 5.604 1.00 0.00 H new ATOM 0 HG SER A 29 13.740 -2.373 3.502 1.00 0.00 H new ATOM 418 N ARG A 30 9.655 -0.821 6.141 1.00 0.00 N ATOM 419 CA ARG A 30 8.855 0.091 6.949 1.00 0.00 C ATOM 420 C ARG A 30 9.438 1.500 6.915 1.00 0.00 C ATOM 421 O ARG A 30 8.712 2.480 6.735 1.00 0.00 O ATOM 422 CB ARG A 30 8.780 -0.407 8.394 1.00 0.00 C ATOM 423 CG ARG A 30 10.137 -0.529 9.067 1.00 0.00 C ATOM 424 CD ARG A 30 10.006 -1.027 10.498 1.00 0.00 C ATOM 425 NE ARG A 30 9.615 -2.433 10.556 1.00 0.00 N ATOM 426 CZ ARG A 30 10.476 -3.439 10.457 1.00 0.00 C ATOM 427 NH1 ARG A 30 11.770 -3.196 10.299 1.00 0.00 N ATOM 428 NH2 ARG A 30 10.044 -4.692 10.518 1.00 0.00 N ATOM 0 H ARG A 30 9.845 -1.720 6.583 1.00 0.00 H new ATOM 0 HA ARG A 30 7.849 0.122 6.530 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.157 0.275 8.973 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.288 -1.379 8.409 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.766 -1.214 8.498 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.635 0.440 9.062 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.955 -0.893 11.016 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.267 -0.424 11.025 1.00 0.00 H new ATOM 0 HE ARG A 30 8.627 -2.654 10.679 1.00 0.00 H new ATOM 0 HH11 ARG A 30 12.106 -2.234 10.253 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.429 -3.971 10.223 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.050 -4.883 10.641 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.706 -5.464 10.442 1.00 0.00 H new ATOM 442 N LEU A 31 10.751 1.597 7.091 1.00 0.00 N ATOM 443 CA LEU A 31 11.432 2.887 7.081 1.00 0.00 C ATOM 444 C LEU A 31 11.481 3.466 5.671 1.00 0.00 C ATOM 445 O LEU A 31 11.316 4.670 5.478 1.00 0.00 O ATOM 446 CB LEU A 31 12.851 2.742 7.634 1.00 0.00 C ATOM 447 CG LEU A 31 12.969 2.600 9.151 1.00 0.00 C ATOM 448 CD1 LEU A 31 14.291 1.949 9.526 1.00 0.00 C ATOM 449 CD2 LEU A 31 12.829 3.956 9.827 1.00 0.00 C ATOM 0 H LEU A 31 11.366 0.797 7.242 1.00 0.00 H new ATOM 0 HA LEU A 31 10.869 3.571 7.716 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.313 1.870 7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.431 3.612 7.324 1.00 0.00 H new ATOM 0 HG LEU A 31 12.160 1.958 9.500 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.356 1.857 10.610 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.351 0.959 9.073 1.00 0.00 H new ATOM 0 HD13 LEU A 31 15.115 2.564 9.164 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.916 3.835 10.907 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.615 4.622 9.472 1.00 0.00 H new ATOM 0 HD23 LEU A 31 11.856 4.383 9.587 1.00 0.00 H new ATOM 461 N GLU A 32 11.707 2.600 4.688 1.00 0.00 N ATOM 462 CA GLU A 32 11.776 3.026 3.295 1.00 0.00 C ATOM 463 C GLU A 32 10.461 3.663 2.856 1.00 0.00 C ATOM 464 O GLU A 32 10.424 4.829 2.463 1.00 0.00 O ATOM 465 CB GLU A 32 12.107 1.838 2.391 1.00 0.00 C ATOM 466 CG GLU A 32 13.571 1.431 2.431 1.00 0.00 C ATOM 467 CD GLU A 32 13.862 0.218 1.570 1.00 0.00 C ATOM 468 OE1 GLU A 32 13.505 0.240 0.373 1.00 0.00 O ATOM 469 OE2 GLU A 32 14.448 -0.754 2.091 1.00 0.00 O ATOM 0 H GLU A 32 11.845 1.600 4.830 1.00 0.00 H new ATOM 0 HA GLU A 32 12.567 3.770 3.208 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.494 0.986 2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.836 2.086 1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 32 14.186 2.266 2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.857 1.218 3.461 1.00 0.00 H new ATOM 476 N ALA A 33 9.383 2.889 2.925 1.00 0.00 N ATOM 477 CA ALA A 33 8.066 3.376 2.536 1.00 0.00 C ATOM 478 C ALA A 33 7.902 4.853 2.882 1.00 0.00 C ATOM 479 O ALA A 33 7.287 5.610 2.132 1.00 0.00 O ATOM 480 CB ALA A 33 6.977 2.552 3.208 1.00 0.00 C ATOM 0 H ALA A 33 9.396 1.921 3.247 1.00 0.00 H new ATOM 0 HA ALA A 33 7.973 3.269 1.455 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.999 2.928 2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.073 1.509 2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.078 2.629 4.291 1.00 0.00 H new ATOM 486 N GLN A 34 8.457 5.253 4.022 1.00 0.00 N ATOM 487 CA GLN A 34 8.371 6.639 4.467 1.00 0.00 C ATOM 488 C GLN A 34 9.168 7.557 3.546 1.00 0.00 C ATOM 489 O GLN A 34 8.686 8.616 3.139 1.00 0.00 O ATOM 490 CB GLN A 34 8.883 6.769 5.902 1.00 0.00 C ATOM 491 CG GLN A 34 8.320 7.971 6.643 1.00 0.00 C ATOM 492 CD GLN A 34 9.037 9.260 6.293 1.00 0.00 C ATOM 493 OE1 GLN A 34 8.779 9.865 5.251 1.00 0.00 O ATOM 494 NE2 GLN A 34 9.943 9.689 7.164 1.00 0.00 N ATOM 0 H GLN A 34 8.970 4.638 4.653 1.00 0.00 H new ATOM 0 HA GLN A 34 7.324 6.940 4.433 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.631 5.863 6.452 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.971 6.840 5.886 1.00 0.00 H new ATOM 0 HG2 GLN A 34 7.260 8.074 6.409 1.00 0.00 H new ATOM 0 HG3 GLN A 34 8.394 7.799 7.717 1.00 0.00 H new ATOM 0 HE21 GLN A 34 10.125 9.156 8.015 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.457 10.551 6.982 1.00 0.00 H new ATOM 503 N LEU A 35 10.388 7.146 3.220 1.00 0.00 N ATOM 504 CA LEU A 35 11.253 7.932 2.347 1.00 0.00 C ATOM 505 C LEU A 35 10.586 8.177 0.998 1.00 0.00 C ATOM 506 O LEU A 35 10.806 9.209 0.362 1.00 0.00 O ATOM 507 CB LEU A 35 12.591 7.218 2.145 1.00 0.00 C ATOM 508 CG LEU A 35 12.651 6.218 0.989 1.00 0.00 C ATOM 509 CD1 LEU A 35 12.907 6.938 -0.326 1.00 0.00 C ATOM 510 CD2 LEU A 35 13.725 5.171 1.245 1.00 0.00 C ATOM 0 H LEU A 35 10.801 6.273 3.547 1.00 0.00 H new ATOM 0 HA LEU A 35 11.431 8.896 2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.362 7.972 1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.843 6.693 3.067 1.00 0.00 H new ATOM 0 HG LEU A 35 11.688 5.712 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.947 6.211 -1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.102 7.649 -0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.856 7.471 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.754 4.468 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.694 5.660 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.497 4.634 2.166 1.00 0.00 H new ATOM 522 N LEU A 36 9.768 7.224 0.567 1.00 0.00 N ATOM 523 CA LEU A 36 9.065 7.337 -0.707 1.00 0.00 C ATOM 524 C LEU A 36 7.948 8.372 -0.623 1.00 0.00 C ATOM 525 O LEU A 36 7.642 9.053 -1.603 1.00 0.00 O ATOM 526 CB LEU A 36 8.489 5.980 -1.117 1.00 0.00 C ATOM 527 CG LEU A 36 9.405 5.088 -1.957 1.00 0.00 C ATOM 528 CD1 LEU A 36 10.241 4.188 -1.062 1.00 0.00 C ATOM 529 CD2 LEU A 36 8.588 4.259 -2.937 1.00 0.00 C ATOM 0 H LEU A 36 9.575 6.364 1.080 1.00 0.00 H new ATOM 0 HA LEU A 36 9.781 7.663 -1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.215 5.436 -0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.570 6.152 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 36 10.080 5.727 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.886 3.561 -1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.854 4.800 -0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.583 3.556 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.255 3.630 -3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.889 3.630 -2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.034 4.922 -3.601 1.00 0.00 H new ATOM 541 N LEU A 37 7.342 8.486 0.554 1.00 0.00 N ATOM 542 CA LEU A 37 6.259 9.440 0.767 1.00 0.00 C ATOM 543 C LEU A 37 6.707 10.857 0.424 1.00 0.00 C ATOM 544 O LEU A 37 5.964 11.620 -0.191 1.00 0.00 O ATOM 545 CB LEU A 37 5.781 9.381 2.220 1.00 0.00 C ATOM 546 CG LEU A 37 5.010 8.123 2.622 1.00 0.00 C ATOM 547 CD1 LEU A 37 4.666 8.160 4.103 1.00 0.00 C ATOM 548 CD2 LEU A 37 3.749 7.978 1.783 1.00 0.00 C ATOM 0 H LEU A 37 7.582 7.930 1.375 1.00 0.00 H new ATOM 0 HA LEU A 37 5.434 9.170 0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.650 9.474 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.147 10.247 2.408 1.00 0.00 H new ATOM 0 HG LEU A 37 5.645 7.256 2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.118 7.257 4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.584 8.215 4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.050 9.035 4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.214 7.077 2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.109 8.848 1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.019 7.905 0.730 1.00 0.00 H new ATOM 560 N GLU A 38 7.927 11.201 0.826 1.00 0.00 N ATOM 561 CA GLU A 38 8.473 12.527 0.559 1.00 0.00 C ATOM 562 C GLU A 38 9.180 12.561 -0.793 1.00 0.00 C ATOM 563 O GLU A 38 8.969 13.473 -1.592 1.00 0.00 O ATOM 564 CB GLU A 38 9.446 12.934 1.667 1.00 0.00 C ATOM 565 CG GLU A 38 10.649 12.013 1.789 1.00 0.00 C ATOM 566 CD GLU A 38 11.800 12.435 0.896 1.00 0.00 C ATOM 567 OE1 GLU A 38 11.794 13.593 0.428 1.00 0.00 O ATOM 568 OE2 GLU A 38 12.706 11.608 0.666 1.00 0.00 O ATOM 0 H GLU A 38 8.555 10.581 1.337 1.00 0.00 H new ATOM 0 HA GLU A 38 7.645 13.236 0.535 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.794 13.950 1.478 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.914 12.951 2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.986 11.996 2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.351 10.996 1.534 1.00 0.00 H new ATOM 575 N ARG A 39 10.021 11.562 -1.040 1.00 0.00 N ATOM 576 CA ARG A 39 10.762 11.478 -2.293 1.00 0.00 C ATOM 577 C ARG A 39 9.825 11.621 -3.488 1.00 0.00 C ATOM 578 O ARG A 39 10.084 12.402 -4.404 1.00 0.00 O ATOM 579 CB ARG A 39 11.516 10.151 -2.377 1.00 0.00 C ATOM 580 CG ARG A 39 12.925 10.213 -1.810 1.00 0.00 C ATOM 581 CD ARG A 39 13.859 9.257 -2.535 1.00 0.00 C ATOM 582 NE ARG A 39 15.236 9.743 -2.549 1.00 0.00 N ATOM 583 CZ ARG A 39 16.083 9.581 -1.538 1.00 0.00 C ATOM 584 NH1 ARG A 39 15.696 8.947 -0.440 1.00 0.00 N ATOM 585 NH2 ARG A 39 17.321 10.052 -1.627 1.00 0.00 N ATOM 0 H ARG A 39 10.206 10.799 -0.389 1.00 0.00 H new ATOM 0 HA ARG A 39 11.481 12.297 -2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.951 9.388 -1.841 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.567 9.837 -3.420 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.307 11.230 -1.893 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.903 9.967 -0.748 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.824 8.280 -2.052 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.513 9.119 -3.559 1.00 0.00 H new ATOM 0 HE ARG A 39 15.566 10.234 -3.380 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.746 8.582 -0.370 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.348 8.824 0.335 1.00 0.00 H new ATOM 0 HH21 ARG A 39 17.622 10.538 -2.472 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.971 9.928 -0.851 1.00 0.00 H new ATOM 599 N TYR A 40 8.736 10.859 -3.474 1.00 0.00 N ATOM 600 CA TYR A 40 7.762 10.897 -4.558 1.00 0.00 C ATOM 601 C TYR A 40 6.460 11.547 -4.098 1.00 0.00 C ATOM 602 O TYR A 40 5.486 10.874 -3.763 1.00 0.00 O ATOM 603 CB TYR A 40 7.485 9.485 -5.074 1.00 0.00 C ATOM 604 CG TYR A 40 8.738 8.680 -5.335 1.00 0.00 C ATOM 605 CD1 TYR A 40 9.475 8.143 -4.286 1.00 0.00 C ATOM 606 CD2 TYR A 40 9.187 8.457 -6.631 1.00 0.00 C ATOM 607 CE1 TYR A 40 10.621 7.408 -4.520 1.00 0.00 C ATOM 608 CE2 TYR A 40 10.331 7.721 -6.874 1.00 0.00 C ATOM 609 CZ TYR A 40 11.044 7.199 -5.816 1.00 0.00 C ATOM 610 OH TYR A 40 12.185 6.467 -6.054 1.00 0.00 O ATOM 0 H TYR A 40 8.506 10.208 -2.723 1.00 0.00 H new ATOM 0 HA TYR A 40 8.181 11.496 -5.367 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.868 8.956 -4.348 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.907 9.551 -5.996 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.146 8.303 -3.270 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.632 8.866 -7.463 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.182 6.999 -3.693 1.00 0.00 H new ATOM 0 HE2 TYR A 40 10.665 7.556 -7.888 1.00 0.00 H new ATOM 0 HH TYR A 40 12.343 6.412 -7.020 1.00 0.00 H new ATOM 620 N PRO A 41 6.442 12.888 -4.081 1.00 0.00 N ATOM 621 CA PRO A 41 5.268 13.659 -3.665 1.00 0.00 C ATOM 622 C PRO A 41 4.124 13.560 -4.669 1.00 0.00 C ATOM 623 O PRO A 41 2.971 13.835 -4.338 1.00 0.00 O ATOM 624 CB PRO A 41 5.793 15.096 -3.594 1.00 0.00 C ATOM 625 CG PRO A 41 6.948 15.123 -4.534 1.00 0.00 C ATOM 626 CD PRO A 41 7.569 13.754 -4.466 1.00 0.00 C ATOM 0 HA PRO A 41 4.854 13.295 -2.725 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.026 15.813 -3.888 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.101 15.356 -2.581 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.621 15.353 -5.548 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.666 15.892 -4.248 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.995 13.458 -5.425 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.375 13.714 -3.733 1.00 0.00 H new ATOM 634 N GLU A 42 4.452 13.164 -5.896 1.00 0.00 N ATOM 635 CA GLU A 42 3.451 13.029 -6.947 1.00 0.00 C ATOM 636 C GLU A 42 2.747 11.678 -6.858 1.00 0.00 C ATOM 637 O GLU A 42 1.520 11.598 -6.935 1.00 0.00 O ATOM 638 CB GLU A 42 4.099 13.189 -8.323 1.00 0.00 C ATOM 639 CG GLU A 42 5.194 12.173 -8.601 1.00 0.00 C ATOM 640 CD GLU A 42 5.816 12.345 -9.974 1.00 0.00 C ATOM 641 OE1 GLU A 42 5.094 12.769 -10.902 1.00 0.00 O ATOM 642 OE2 GLU A 42 7.021 12.057 -10.121 1.00 0.00 O ATOM 0 H GLU A 42 5.402 12.932 -6.185 1.00 0.00 H new ATOM 0 HA GLU A 42 2.709 13.816 -6.809 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.330 13.101 -9.090 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.517 14.192 -8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.970 12.264 -7.841 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.781 11.168 -8.517 1.00 0.00 H new ATOM 649 N CYS A 43 3.532 10.618 -6.694 1.00 0.00 N ATOM 650 CA CYS A 43 2.986 9.270 -6.595 1.00 0.00 C ATOM 651 C CYS A 43 1.771 9.241 -5.673 1.00 0.00 C ATOM 652 O CYS A 43 0.689 8.810 -6.068 1.00 0.00 O ATOM 653 CB CYS A 43 4.053 8.301 -6.084 1.00 0.00 C ATOM 654 SG CYS A 43 5.354 7.935 -7.286 1.00 0.00 S ATOM 0 H CYS A 43 4.549 10.667 -6.627 1.00 0.00 H new ATOM 0 HA CYS A 43 2.671 8.959 -7.591 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.509 8.720 -5.187 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.571 7.368 -5.791 1.00 0.00 H new ATOM 0 HG CYS A 43 4.939 7.018 -8.108 1.00 0.00 H new ATOM 660 N GLY A 44 1.960 9.701 -4.440 1.00 0.00 N ATOM 661 CA GLY A 44 0.872 9.718 -3.480 1.00 0.00 C ATOM 662 C GLY A 44 1.355 9.544 -2.053 1.00 0.00 C ATOM 663 O GLY A 44 2.557 9.573 -1.790 1.00 0.00 O ATOM 0 H GLY A 44 2.847 10.062 -4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.331 10.661 -3.565 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.166 8.923 -3.721 1.00 0.00 H new ATOM 667 N ASN A 45 0.417 9.365 -1.129 1.00 0.00 N ATOM 668 CA ASN A 45 0.753 9.188 0.279 1.00 0.00 C ATOM 669 C ASN A 45 0.266 7.835 0.788 1.00 0.00 C ATOM 670 O ASN A 45 0.970 7.148 1.530 1.00 0.00 O ATOM 671 CB ASN A 45 0.142 10.312 1.116 1.00 0.00 C ATOM 672 CG ASN A 45 -1.356 10.149 1.296 1.00 0.00 C ATOM 673 OD1 ASN A 45 -2.145 10.600 0.465 1.00 0.00 O ATOM 674 ND2 ASN A 45 -1.754 9.503 2.385 1.00 0.00 N ATOM 0 H ASN A 45 -0.583 9.339 -1.330 1.00 0.00 H new ATOM 0 HA ASN A 45 1.838 9.223 0.375 1.00 0.00 H new ATOM 0 HB2 ASN A 45 0.622 10.336 2.094 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.346 11.270 0.638 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.749 9.363 2.560 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.065 9.146 3.047 1.00 0.00 H new ATOM 681 N LEU A 46 -0.943 7.458 0.386 1.00 0.00 N ATOM 682 CA LEU A 46 -1.525 6.186 0.801 1.00 0.00 C ATOM 683 C LEU A 46 -0.845 5.019 0.095 1.00 0.00 C ATOM 684 O LEU A 46 -1.257 4.611 -0.992 1.00 0.00 O ATOM 685 CB LEU A 46 -3.026 6.171 0.507 1.00 0.00 C ATOM 686 CG LEU A 46 -3.706 4.802 0.557 1.00 0.00 C ATOM 687 CD1 LEU A 46 -4.099 4.454 1.984 1.00 0.00 C ATOM 688 CD2 LEU A 46 -4.923 4.777 -0.355 1.00 0.00 C ATOM 0 H LEU A 46 -1.539 8.015 -0.227 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.369 6.076 1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.523 6.827 1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.186 6.598 -0.483 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.998 4.052 0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.581 3.477 2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.208 4.429 2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.790 5.206 2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.394 3.795 -0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.635 5.537 -0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.614 4.981 -1.380 1.00 0.00 H new ATOM 700 N LEU A 47 0.199 4.484 0.719 1.00 0.00 N ATOM 701 CA LEU A 47 0.936 3.361 0.151 1.00 0.00 C ATOM 702 C LEU A 47 0.849 2.138 1.058 1.00 0.00 C ATOM 703 O LEU A 47 0.954 2.249 2.281 1.00 0.00 O ATOM 704 CB LEU A 47 2.401 3.744 -0.068 1.00 0.00 C ATOM 705 CG LEU A 47 3.311 3.645 1.157 1.00 0.00 C ATOM 706 CD1 LEU A 47 3.837 2.228 1.318 1.00 0.00 C ATOM 707 CD2 LEU A 47 4.462 4.635 1.049 1.00 0.00 C ATOM 0 H LEU A 47 0.554 4.810 1.618 1.00 0.00 H new ATOM 0 HA LEU A 47 0.485 3.112 -0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.809 3.106 -0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.436 4.768 -0.440 1.00 0.00 H new ATOM 0 HG LEU A 47 2.725 3.896 2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.483 2.177 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.000 1.541 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.406 1.948 0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.099 4.550 1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.047 4.417 0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.066 5.648 0.984 1.00 0.00 H new ATOM 719 N LEU A 48 0.659 0.970 0.453 1.00 0.00 N ATOM 720 CA LEU A 48 0.561 -0.276 1.205 1.00 0.00 C ATOM 721 C LEU A 48 1.896 -1.013 1.216 1.00 0.00 C ATOM 722 O LEU A 48 2.514 -1.214 0.171 1.00 0.00 O ATOM 723 CB LEU A 48 -0.525 -1.172 0.606 1.00 0.00 C ATOM 724 CG LEU A 48 -1.968 -0.719 0.830 1.00 0.00 C ATOM 725 CD1 LEU A 48 -2.359 0.342 -0.185 1.00 0.00 C ATOM 726 CD2 LEU A 48 -2.916 -1.908 0.755 1.00 0.00 C ATOM 0 H LEU A 48 0.570 0.860 -0.557 1.00 0.00 H new ATOM 0 HA LEU A 48 0.295 -0.031 2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.352 -1.250 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.411 -2.174 1.021 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.042 -0.282 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.389 0.652 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.699 1.203 -0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.270 -0.067 -1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.939 -1.568 0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.839 -2.373 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.650 -2.635 1.522 1.00 0.00 H new ATOM 738 N ARG A 49 2.335 -1.413 2.405 1.00 0.00 N ATOM 739 CA ARG A 49 3.597 -2.129 2.552 1.00 0.00 C ATOM 740 C ARG A 49 3.378 -3.487 3.212 1.00 0.00 C ATOM 741 O ARG A 49 2.436 -3.687 3.981 1.00 0.00 O ATOM 742 CB ARG A 49 4.583 -1.302 3.379 1.00 0.00 C ATOM 743 CG ARG A 49 4.141 -1.087 4.817 1.00 0.00 C ATOM 744 CD ARG A 49 5.267 -0.513 5.665 1.00 0.00 C ATOM 745 NE ARG A 49 6.425 -1.399 5.710 1.00 0.00 N ATOM 746 CZ ARG A 49 6.468 -2.516 6.429 1.00 0.00 C ATOM 747 NH1 ARG A 49 5.423 -2.881 7.157 1.00 0.00 N ATOM 748 NH2 ARG A 49 7.560 -3.271 6.418 1.00 0.00 N ATOM 0 H ARG A 49 1.836 -1.254 3.280 1.00 0.00 H new ATOM 0 HA ARG A 49 4.012 -2.290 1.557 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.553 -1.799 3.376 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.721 -0.332 2.901 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.286 -0.411 4.839 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.810 -2.034 5.243 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.567 0.455 5.262 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.905 -0.338 6.678 1.00 0.00 H new ATOM 0 HE ARG A 49 7.246 -1.148 5.160 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.582 -2.304 7.167 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.460 -3.739 7.708 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.366 -2.994 5.858 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.593 -4.128 6.970 1.00 0.00 H new ATOM 762 N PRO A 50 4.266 -4.444 2.906 1.00 0.00 N ATOM 763 CA PRO A 50 4.191 -5.800 3.459 1.00 0.00 C ATOM 764 C PRO A 50 4.516 -5.838 4.949 1.00 0.00 C ATOM 765 O PRO A 50 5.559 -5.348 5.378 1.00 0.00 O ATOM 766 CB PRO A 50 5.248 -6.567 2.661 1.00 0.00 C ATOM 767 CG PRO A 50 6.218 -5.527 2.220 1.00 0.00 C ATOM 768 CD PRO A 50 5.412 -4.276 1.998 1.00 0.00 C ATOM 0 HA PRO A 50 3.188 -6.219 3.377 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.733 -7.326 3.274 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.804 -7.081 1.809 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.988 -5.366 2.975 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.727 -5.831 1.305 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.986 -3.381 2.236 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.092 -4.183 0.960 1.00 0.00 H new ATOM 776 N SER A 51 3.614 -6.423 5.731 1.00 0.00 N ATOM 777 CA SER A 51 3.804 -6.522 7.173 1.00 0.00 C ATOM 778 C SER A 51 4.718 -7.693 7.522 1.00 0.00 C ATOM 779 O SER A 51 4.759 -8.696 6.811 1.00 0.00 O ATOM 780 CB SER A 51 2.455 -6.687 7.876 1.00 0.00 C ATOM 781 OG SER A 51 2.577 -6.469 9.271 1.00 0.00 O ATOM 0 H SER A 51 2.745 -6.835 5.390 1.00 0.00 H new ATOM 0 HA SER A 51 4.275 -5.601 7.516 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.735 -5.985 7.457 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.067 -7.689 7.694 1.00 0.00 H new ATOM 0 HG SER A 51 1.701 -6.579 9.697 1.00 0.00 H new ATOM 787 N GLY A 52 5.450 -7.556 8.624 1.00 0.00 N ATOM 788 CA GLY A 52 6.354 -8.609 9.049 1.00 0.00 C ATOM 789 C GLY A 52 6.367 -8.789 10.554 1.00 0.00 C ATOM 790 O GLY A 52 5.473 -9.421 11.117 1.00 0.00 O ATOM 0 H GLY A 52 5.433 -6.735 9.229 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.062 -9.547 8.576 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.362 -8.379 8.705 1.00 0.00 H new ATOM 794 N ASP A 53 7.383 -8.235 11.206 1.00 0.00 N ATOM 795 CA ASP A 53 7.510 -8.339 12.655 1.00 0.00 C ATOM 796 C ASP A 53 6.137 -8.324 13.322 1.00 0.00 C ATOM 797 O ASP A 53 5.839 -9.165 14.169 1.00 0.00 O ATOM 798 CB ASP A 53 8.366 -7.193 13.196 1.00 0.00 C ATOM 799 CG ASP A 53 8.214 -7.015 14.694 1.00 0.00 C ATOM 800 OD1 ASP A 53 7.203 -6.420 15.120 1.00 0.00 O ATOM 801 OD2 ASP A 53 9.106 -7.470 15.440 1.00 0.00 O ATOM 0 H ASP A 53 8.131 -7.709 10.754 1.00 0.00 H new ATOM 0 HA ASP A 53 7.997 -9.286 12.886 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.413 -7.382 12.960 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.088 -6.267 12.693 1.00 0.00 H new ATOM 806 N GLY A 54 5.307 -7.361 12.935 1.00 0.00 N ATOM 807 CA GLY A 54 3.977 -7.254 13.506 1.00 0.00 C ATOM 808 C GLY A 54 3.196 -8.549 13.405 1.00 0.00 C ATOM 809 O GLY A 54 2.887 -9.176 14.418 1.00 0.00 O ATOM 0 H GLY A 54 5.532 -6.653 12.236 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.057 -6.963 14.553 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.429 -6.462 12.996 1.00 0.00 H new ATOM 813 N ALA A 55 2.876 -8.951 12.180 1.00 0.00 N ATOM 814 CA ALA A 55 2.126 -10.180 11.951 1.00 0.00 C ATOM 815 C ALA A 55 2.101 -10.539 10.469 1.00 0.00 C ATOM 816 O ALA A 55 2.613 -9.797 9.631 1.00 0.00 O ATOM 817 CB ALA A 55 0.708 -10.041 12.486 1.00 0.00 C ATOM 0 H ALA A 55 3.124 -8.444 11.331 1.00 0.00 H new ATOM 0 HA ALA A 55 2.627 -10.987 12.486 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.160 -10.966 12.308 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.741 -9.839 13.557 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.206 -9.218 11.977 1.00 0.00 H new ATOM 823 N ASP A 56 1.505 -11.684 10.153 1.00 0.00 N ATOM 824 CA ASP A 56 1.413 -12.142 8.771 1.00 0.00 C ATOM 825 C ASP A 56 0.238 -11.482 8.056 1.00 0.00 C ATOM 826 O ASP A 56 -0.904 -11.923 8.181 1.00 0.00 O ATOM 827 CB ASP A 56 1.266 -13.663 8.725 1.00 0.00 C ATOM 828 CG ASP A 56 2.494 -14.380 9.251 1.00 0.00 C ATOM 829 OD1 ASP A 56 2.602 -14.544 10.485 1.00 0.00 O ATOM 830 OD2 ASP A 56 3.344 -14.779 8.429 1.00 0.00 O ATOM 0 H ASP A 56 1.079 -12.312 10.835 1.00 0.00 H new ATOM 0 HA ASP A 56 2.332 -11.858 8.258 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.397 -13.959 9.312 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.078 -13.976 7.698 1.00 0.00 H new ATOM 835 N GLY A 57 0.526 -10.422 7.307 1.00 0.00 N ATOM 836 CA GLY A 57 -0.517 -9.717 6.586 1.00 0.00 C ATOM 837 C GLY A 57 0.018 -8.536 5.799 1.00 0.00 C ATOM 838 O GLY A 57 1.092 -8.614 5.204 1.00 0.00 O ATOM 0 H GLY A 57 1.464 -10.039 7.187 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.014 -10.408 5.905 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.270 -9.368 7.292 1.00 0.00 H new ATOM 842 N VAL A 58 -0.735 -7.441 5.797 1.00 0.00 N ATOM 843 CA VAL A 58 -0.330 -6.239 5.078 1.00 0.00 C ATOM 844 C VAL A 58 -0.614 -4.986 5.898 1.00 0.00 C ATOM 845 O VAL A 58 -1.646 -4.886 6.561 1.00 0.00 O ATOM 846 CB VAL A 58 -1.053 -6.125 3.722 1.00 0.00 C ATOM 847 CG1 VAL A 58 -0.668 -4.833 3.017 1.00 0.00 C ATOM 848 CG2 VAL A 58 -0.741 -7.332 2.849 1.00 0.00 C ATOM 0 H VAL A 58 -1.627 -7.361 6.284 1.00 0.00 H new ATOM 0 HA VAL A 58 0.743 -6.321 4.904 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.128 -6.104 3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.189 -4.771 2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.947 -3.982 3.638 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.408 -4.819 2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.260 -7.235 1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.333 -7.386 2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.073 -8.240 3.352 1.00 0.00 H new ATOM 858 N SER A 59 0.310 -4.031 5.849 1.00 0.00 N ATOM 859 CA SER A 59 0.161 -2.784 6.591 1.00 0.00 C ATOM 860 C SER A 59 -0.046 -1.608 5.641 1.00 0.00 C ATOM 861 O SER A 59 0.276 -1.689 4.455 1.00 0.00 O ATOM 862 CB SER A 59 1.389 -2.537 7.467 1.00 0.00 C ATOM 863 OG SER A 59 1.320 -3.286 8.669 1.00 0.00 O ATOM 0 H SER A 59 1.169 -4.097 5.303 1.00 0.00 H new ATOM 0 HA SER A 59 -0.719 -2.872 7.229 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.291 -2.808 6.918 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.465 -1.475 7.701 1.00 0.00 H new ATOM 0 HG SER A 59 2.118 -3.111 9.210 1.00 0.00 H new ATOM 869 N VAL A 60 -0.584 -0.515 6.172 1.00 0.00 N ATOM 870 CA VAL A 60 -0.833 0.679 5.374 1.00 0.00 C ATOM 871 C VAL A 60 -0.100 1.887 5.947 1.00 0.00 C ATOM 872 O VAL A 60 -0.090 2.103 7.159 1.00 0.00 O ATOM 873 CB VAL A 60 -2.338 0.997 5.292 1.00 0.00 C ATOM 874 CG1 VAL A 60 -2.578 2.233 4.439 1.00 0.00 C ATOM 875 CG2 VAL A 60 -3.106 -0.197 4.745 1.00 0.00 C ATOM 0 H VAL A 60 -0.856 -0.432 7.152 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.458 0.472 4.372 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.703 1.204 6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.647 2.441 4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.061 3.085 4.880 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.199 2.059 3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.167 0.046 4.694 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.741 -0.438 3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.961 -1.055 5.402 1.00 0.00 H new ATOM 885 N THR A 61 0.514 2.673 5.068 1.00 0.00 N ATOM 886 CA THR A 61 1.251 3.858 5.486 1.00 0.00 C ATOM 887 C THR A 61 0.671 5.118 4.854 1.00 0.00 C ATOM 888 O THR A 61 0.594 5.233 3.630 1.00 0.00 O ATOM 889 CB THR A 61 2.743 3.752 5.117 1.00 0.00 C ATOM 890 OG1 THR A 61 3.269 2.497 5.559 1.00 0.00 O ATOM 891 CG2 THR A 61 3.537 4.890 5.740 1.00 0.00 C ATOM 0 H THR A 61 0.515 2.509 4.061 1.00 0.00 H new ATOM 0 HA THR A 61 1.157 3.922 6.570 1.00 0.00 H new ATOM 0 HB THR A 61 2.832 3.820 4.033 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.217 2.437 5.319 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.587 4.794 5.465 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.153 5.843 5.377 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.440 4.850 6.825 1.00 0.00 H new ATOM 899 N THR A 62 0.262 6.063 5.695 1.00 0.00 N ATOM 900 CA THR A 62 -0.312 7.314 5.218 1.00 0.00 C ATOM 901 C THR A 62 0.375 8.515 5.860 1.00 0.00 C ATOM 902 O THR A 62 0.737 8.478 7.036 1.00 0.00 O ATOM 903 CB THR A 62 -1.823 7.386 5.509 1.00 0.00 C ATOM 904 OG1 THR A 62 -2.066 7.151 6.901 1.00 0.00 O ATOM 905 CG2 THR A 62 -2.583 6.364 4.677 1.00 0.00 C ATOM 0 H THR A 62 0.318 5.985 6.710 1.00 0.00 H new ATOM 0 HA THR A 62 -0.155 7.342 4.140 1.00 0.00 H new ATOM 0 HB THR A 62 -2.175 8.383 5.243 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.029 7.200 7.078 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.648 6.433 4.899 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.420 6.563 3.618 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.227 5.362 4.917 1.00 0.00 H new ATOM 913 N ARG A 63 0.551 9.577 5.081 1.00 0.00 N ATOM 914 CA ARG A 63 1.195 10.788 5.574 1.00 0.00 C ATOM 915 C ARG A 63 0.163 11.879 5.848 1.00 0.00 C ATOM 916 O ARG A 63 -0.133 12.698 4.979 1.00 0.00 O ATOM 917 CB ARG A 63 2.226 11.290 4.563 1.00 0.00 C ATOM 918 CG ARG A 63 2.795 12.658 4.901 1.00 0.00 C ATOM 919 CD ARG A 63 3.728 12.593 6.099 1.00 0.00 C ATOM 920 NE ARG A 63 5.103 12.295 5.707 1.00 0.00 N ATOM 921 CZ ARG A 63 5.930 13.193 5.187 1.00 0.00 C ATOM 922 NH1 ARG A 63 5.526 14.441 4.997 1.00 0.00 N ATOM 923 NH2 ARG A 63 7.167 12.845 4.854 1.00 0.00 N ATOM 0 H ARG A 63 0.256 9.623 4.106 1.00 0.00 H new ATOM 0 HA ARG A 63 1.701 10.546 6.509 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.043 10.571 4.503 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.764 11.332 3.576 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.334 13.052 4.040 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.980 13.351 5.111 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.701 13.544 6.631 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.375 11.829 6.792 1.00 0.00 H new ATOM 0 HE ARG A 63 5.447 11.344 5.840 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.577 14.714 5.251 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.165 15.128 4.597 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.483 11.886 4.998 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.801 13.537 4.454 1.00 0.00 H new ATOM 937 N GLN A 64 -0.378 11.881 7.062 1.00 0.00 N ATOM 938 CA GLN A 64 -1.377 12.872 7.450 1.00 0.00 C ATOM 939 C GLN A 64 -0.823 13.817 8.511 1.00 0.00 C ATOM 940 O GLN A 64 -0.280 13.379 9.525 1.00 0.00 O ATOM 941 CB GLN A 64 -2.635 12.178 7.976 1.00 0.00 C ATOM 942 CG GLN A 64 -3.241 11.189 6.992 1.00 0.00 C ATOM 943 CD GLN A 64 -4.628 10.734 7.402 1.00 0.00 C ATOM 944 OE1 GLN A 64 -4.795 9.657 7.975 1.00 0.00 O ATOM 945 NE2 GLN A 64 -5.631 11.553 7.110 1.00 0.00 N ATOM 0 H GLN A 64 -0.143 11.210 7.793 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.634 13.457 6.567 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.392 11.655 8.901 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.380 12.934 8.224 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.290 11.648 6.005 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.588 10.320 6.907 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.446 12.436 6.634 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.586 11.299 7.362 1.00 0.00 H new ATOM 954 N MET A 65 -0.963 15.117 8.269 1.00 0.00 N ATOM 955 CA MET A 65 -0.476 16.124 9.204 1.00 0.00 C ATOM 956 C MET A 65 -1.561 16.503 10.207 1.00 0.00 C ATOM 957 O MET A 65 -2.720 16.697 9.840 1.00 0.00 O ATOM 958 CB MET A 65 -0.008 17.369 8.447 1.00 0.00 C ATOM 959 CG MET A 65 -1.145 18.183 7.854 1.00 0.00 C ATOM 960 SD MET A 65 -0.584 19.740 7.137 1.00 0.00 S ATOM 961 CE MET A 65 -0.030 20.608 8.603 1.00 0.00 C ATOM 0 H MET A 65 -1.409 15.497 7.434 1.00 0.00 H new ATOM 0 HA MET A 65 0.367 15.701 9.750 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.566 18.002 9.124 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.666 17.065 7.646 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.647 17.594 7.086 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.882 18.389 8.630 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.440 21.618 8.604 1.00 0.00 H new ATOM 0 HE2 MET A 65 -0.371 20.077 9.491 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.059 20.658 8.606 1.00 0.00 H new ATOM 971 N HIS A 66 -1.178 16.605 11.476 1.00 0.00 N ATOM 972 CA HIS A 66 -2.119 16.961 12.532 1.00 0.00 C ATOM 973 C HIS A 66 -1.574 18.106 13.382 1.00 0.00 C ATOM 974 O HIS A 66 -0.369 18.357 13.403 1.00 0.00 O ATOM 975 CB HIS A 66 -2.409 15.748 13.416 1.00 0.00 C ATOM 976 CG HIS A 66 -3.350 16.039 14.544 1.00 0.00 C ATOM 977 ND1 HIS A 66 -4.625 16.528 14.352 1.00 0.00 N ATOM 978 CD2 HIS A 66 -3.196 15.909 15.882 1.00 0.00 C ATOM 979 CE1 HIS A 66 -5.214 16.685 15.524 1.00 0.00 C ATOM 980 NE2 HIS A 66 -4.369 16.316 16.469 1.00 0.00 N ATOM 0 H HIS A 66 -0.223 16.446 11.798 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.046 17.289 12.063 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.828 14.952 12.800 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.470 15.374 13.824 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.314 15.552 16.393 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.217 17.053 15.682 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -4.557 16.331 17.471 1.00 0.00 H new ATOM 989 N ASN A 67 -2.469 18.797 14.079 1.00 0.00 N ATOM 990 CA ASN A 67 -2.078 19.917 14.929 1.00 0.00 C ATOM 991 C ASN A 67 -1.026 20.780 14.241 1.00 0.00 C ATOM 992 O ASN A 67 -0.152 21.349 14.894 1.00 0.00 O ATOM 993 CB ASN A 67 -1.541 19.405 16.267 1.00 0.00 C ATOM 994 CG ASN A 67 -2.635 19.232 17.302 1.00 0.00 C ATOM 995 OD1 ASN A 67 -3.822 19.342 16.992 1.00 0.00 O ATOM 996 ND2 ASN A 67 -2.241 18.962 18.541 1.00 0.00 N ATOM 0 H ASN A 67 -3.470 18.602 14.073 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.961 20.529 15.111 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.038 18.451 16.112 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.793 20.102 16.646 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.933 18.837 19.280 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.247 18.880 18.753 1.00 0.00 H new ATOM 1003 N GLY A 68 -1.114 20.871 12.918 1.00 0.00 N ATOM 1004 CA GLY A 68 -0.164 21.667 12.163 1.00 0.00 C ATOM 1005 C GLY A 68 1.259 21.166 12.313 1.00 0.00 C ATOM 1006 O GLY A 68 2.194 21.956 12.443 1.00 0.00 O ATOM 0 H GLY A 68 -1.827 20.407 12.355 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.441 21.655 11.109 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.218 22.704 12.495 1.00 0.00 H new ATOM 1010 N THR A 69 1.425 19.847 12.295 1.00 0.00 N ATOM 1011 CA THR A 69 2.744 19.241 12.432 1.00 0.00 C ATOM 1012 C THR A 69 2.889 18.029 11.518 1.00 0.00 C ATOM 1013 O THR A 69 1.910 17.350 11.210 1.00 0.00 O ATOM 1014 CB THR A 69 3.015 18.809 13.886 1.00 0.00 C ATOM 1015 OG1 THR A 69 4.350 18.305 14.006 1.00 0.00 O ATOM 1016 CG2 THR A 69 2.023 17.742 14.328 1.00 0.00 C ATOM 0 H THR A 69 0.663 19.178 12.187 1.00 0.00 H new ATOM 0 HA THR A 69 3.472 19.999 12.144 1.00 0.00 H new ATOM 0 HB THR A 69 2.897 19.681 14.529 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.515 18.034 14.933 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.234 17.453 15.358 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.010 18.138 14.263 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.114 16.870 13.680 1.00 0.00 H new ATOM 1024 N HIS A 70 4.119 17.763 11.089 1.00 0.00 N ATOM 1025 CA HIS A 70 4.393 16.631 10.210 1.00 0.00 C ATOM 1026 C HIS A 70 4.503 15.336 11.011 1.00 0.00 C ATOM 1027 O HIS A 70 5.466 15.130 11.749 1.00 0.00 O ATOM 1028 CB HIS A 70 5.683 16.869 9.424 1.00 0.00 C ATOM 1029 CG HIS A 70 5.541 17.889 8.337 1.00 0.00 C ATOM 1030 ND1 HIS A 70 4.675 17.742 7.275 1.00 0.00 N ATOM 1031 CD2 HIS A 70 6.161 19.078 8.152 1.00 0.00 C ATOM 1032 CE1 HIS A 70 4.769 18.795 6.483 1.00 0.00 C ATOM 1033 NE2 HIS A 70 5.664 19.621 6.994 1.00 0.00 N ATOM 0 H HIS A 70 4.941 18.315 11.335 1.00 0.00 H new ATOM 0 HA HIS A 70 3.563 16.536 9.510 1.00 0.00 H new ATOM 0 HB2 HIS A 70 6.465 17.190 10.113 1.00 0.00 H new ATOM 0 HB3 HIS A 70 6.011 15.926 8.986 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.908 19.518 8.796 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.209 18.953 5.573 1.00 0.00 H new ATOM 0 HE2 HIS A 70 5.941 20.517 6.593 1.00 0.00 H new ATOM 1042 N VAL A 71 3.509 14.466 10.859 1.00 0.00 N ATOM 1043 CA VAL A 71 3.494 13.191 11.567 1.00 0.00 C ATOM 1044 C VAL A 71 2.994 12.068 10.666 1.00 0.00 C ATOM 1045 O VAL A 71 2.006 12.225 9.950 1.00 0.00 O ATOM 1046 CB VAL A 71 2.608 13.259 12.825 1.00 0.00 C ATOM 1047 CG1 VAL A 71 2.596 11.918 13.542 1.00 0.00 C ATOM 1048 CG2 VAL A 71 3.086 14.365 13.754 1.00 0.00 C ATOM 0 H VAL A 71 2.704 14.621 10.252 1.00 0.00 H new ATOM 0 HA VAL A 71 4.521 12.982 11.866 1.00 0.00 H new ATOM 0 HB VAL A 71 1.588 13.489 12.518 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.965 11.985 14.428 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.203 11.152 12.874 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.611 11.655 13.839 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.449 14.399 14.638 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.115 14.167 14.056 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.038 15.322 13.235 1.00 0.00 H new ATOM 1058 N VAL A 72 3.685 10.933 10.707 1.00 0.00 N ATOM 1059 CA VAL A 72 3.309 9.781 9.895 1.00 0.00 C ATOM 1060 C VAL A 72 2.667 8.693 10.747 1.00 0.00 C ATOM 1061 O VAL A 72 3.122 8.410 11.857 1.00 0.00 O ATOM 1062 CB VAL A 72 4.529 9.191 9.162 1.00 0.00 C ATOM 1063 CG1 VAL A 72 4.129 7.955 8.370 1.00 0.00 C ATOM 1064 CG2 VAL A 72 5.160 10.234 8.252 1.00 0.00 C ATOM 0 H VAL A 72 4.507 10.786 11.293 1.00 0.00 H new ATOM 0 HA VAL A 72 2.587 10.134 9.159 1.00 0.00 H new ATOM 0 HB VAL A 72 5.269 8.895 9.905 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.003 7.552 7.859 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.726 7.203 9.048 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.371 8.224 7.635 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.020 9.800 7.742 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.429 10.563 7.514 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.484 11.088 8.847 1.00 0.00 H new ATOM 1074 N ARG A 73 1.609 8.085 10.224 1.00 0.00 N ATOM 1075 CA ARG A 73 0.903 7.028 10.937 1.00 0.00 C ATOM 1076 C ARG A 73 0.970 5.713 10.167 1.00 0.00 C ATOM 1077 O ARG A 73 1.044 5.705 8.937 1.00 0.00 O ATOM 1078 CB ARG A 73 -0.558 7.425 11.165 1.00 0.00 C ATOM 1079 CG ARG A 73 -1.357 6.385 11.936 1.00 0.00 C ATOM 1080 CD ARG A 73 -1.131 6.509 13.434 1.00 0.00 C ATOM 1081 NE ARG A 73 -2.058 5.676 14.198 1.00 0.00 N ATOM 1082 CZ ARG A 73 -3.194 6.128 14.715 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -3.544 7.396 14.552 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -3.985 5.308 15.397 1.00 0.00 N ATOM 0 H ARG A 73 1.221 8.306 9.307 1.00 0.00 H new ATOM 0 HA ARG A 73 1.389 6.888 11.902 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.589 8.370 11.707 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.035 7.595 10.200 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.418 6.503 11.716 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.072 5.386 11.605 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.106 6.223 13.671 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.248 7.550 13.733 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.819 4.695 14.342 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.940 8.029 14.028 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.418 7.739 14.951 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.720 4.331 15.523 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.858 5.655 15.794 1.00 0.00 H new ATOM 1098 N HIS A 74 0.943 4.603 10.897 1.00 0.00 N ATOM 1099 CA HIS A 74 1.001 3.282 10.282 1.00 0.00 C ATOM 1100 C HIS A 74 -0.144 2.402 10.774 1.00 0.00 C ATOM 1101 O HIS A 74 -0.404 2.319 11.975 1.00 0.00 O ATOM 1102 CB HIS A 74 2.341 2.611 10.588 1.00 0.00 C ATOM 1103 CG HIS A 74 2.635 2.502 12.052 1.00 0.00 C ATOM 1104 ND1 HIS A 74 1.968 1.634 12.891 1.00 0.00 N ATOM 1105 CD2 HIS A 74 3.533 3.155 12.827 1.00 0.00 C ATOM 1106 CE1 HIS A 74 2.441 1.761 14.118 1.00 0.00 C ATOM 1107 NE2 HIS A 74 3.392 2.676 14.106 1.00 0.00 N ATOM 0 H HIS A 74 0.881 4.592 11.915 1.00 0.00 H new ATOM 0 HA HIS A 74 0.903 3.407 9.204 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.347 1.613 10.149 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.139 3.176 10.106 1.00 0.00 H new ATOM 0 HD1 HIS A 74 1.226 0.994 12.608 1.00 0.00 H new ATOM 0 HD2 HIS A 74 4.230 3.912 12.500 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.106 1.210 14.984 1.00 0.00 H new ATOM 1116 N TYR A 75 -0.826 1.750 9.840 1.00 0.00 N ATOM 1117 CA TYR A 75 -1.946 0.880 10.178 1.00 0.00 C ATOM 1118 C TYR A 75 -1.580 -0.586 9.969 1.00 0.00 C ATOM 1119 O TYR A 75 -0.615 -0.905 9.275 1.00 0.00 O ATOM 1120 CB TYR A 75 -3.170 1.237 9.333 1.00 0.00 C ATOM 1121 CG TYR A 75 -3.692 2.634 9.582 1.00 0.00 C ATOM 1122 CD1 TYR A 75 -3.084 3.739 9.000 1.00 0.00 C ATOM 1123 CD2 TYR A 75 -4.794 2.849 10.402 1.00 0.00 C ATOM 1124 CE1 TYR A 75 -3.558 5.016 9.226 1.00 0.00 C ATOM 1125 CE2 TYR A 75 -5.276 4.122 10.631 1.00 0.00 C ATOM 1126 CZ TYR A 75 -4.653 5.204 10.043 1.00 0.00 C ATOM 1127 OH TYR A 75 -5.129 6.475 10.270 1.00 0.00 O ATOM 0 H TYR A 75 -0.623 1.807 8.842 1.00 0.00 H new ATOM 0 HA TYR A 75 -2.184 1.030 11.231 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.914 1.136 8.278 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.964 0.520 9.538 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.226 3.597 8.360 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -5.281 2.005 10.868 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.073 5.864 8.765 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -6.136 4.271 11.267 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.905 6.432 10.867 1.00 0.00 H new ATOM 1137 N LYS A 76 -2.358 -1.476 10.575 1.00 0.00 N ATOM 1138 CA LYS A 76 -2.120 -2.909 10.455 1.00 0.00 C ATOM 1139 C LYS A 76 -3.396 -3.642 10.052 1.00 0.00 C ATOM 1140 O LYS A 76 -4.503 -3.179 10.327 1.00 0.00 O ATOM 1141 CB LYS A 76 -1.593 -3.472 11.778 1.00 0.00 C ATOM 1142 CG LYS A 76 -0.920 -4.826 11.637 1.00 0.00 C ATOM 1143 CD LYS A 76 -0.878 -5.567 12.964 1.00 0.00 C ATOM 1144 CE LYS A 76 -2.231 -6.170 13.308 1.00 0.00 C ATOM 1145 NZ LYS A 76 -2.612 -7.257 12.363 1.00 0.00 N ATOM 0 H LYS A 76 -3.160 -1.229 11.155 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.372 -3.063 9.677 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.882 -2.765 12.207 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.421 -3.558 12.482 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.456 -5.425 10.901 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.094 -4.692 11.261 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.128 -6.356 12.918 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.572 -4.882 13.755 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.205 -6.565 14.324 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.992 -5.389 13.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.535 -7.039 11.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.894 -7.334 11.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.673 -8.159 12.878 1.00 0.00 H new ATOM 1159 N VAL A 77 -3.234 -4.789 9.400 1.00 0.00 N ATOM 1160 CA VAL A 77 -4.373 -5.586 8.961 1.00 0.00 C ATOM 1161 C VAL A 77 -4.220 -7.043 9.387 1.00 0.00 C ATOM 1162 O VAL A 77 -3.253 -7.711 9.020 1.00 0.00 O ATOM 1163 CB VAL A 77 -4.544 -5.525 7.431 1.00 0.00 C ATOM 1164 CG1 VAL A 77 -5.721 -6.383 6.992 1.00 0.00 C ATOM 1165 CG2 VAL A 77 -4.722 -4.087 6.973 1.00 0.00 C ATOM 0 H VAL A 77 -2.325 -5.187 9.164 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.258 -5.162 9.435 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.642 -5.921 6.965 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.827 -6.328 5.909 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.547 -7.418 7.288 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.633 -6.019 7.465 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.841 -4.062 5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.607 -3.662 7.445 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.845 -3.504 7.255 1.00 0.00 H new ATOM 1175 N LYS A 78 -5.182 -7.530 10.164 1.00 0.00 N ATOM 1176 CA LYS A 78 -5.157 -8.907 10.639 1.00 0.00 C ATOM 1177 C LYS A 78 -5.812 -9.844 9.628 1.00 0.00 C ATOM 1178 O LYS A 78 -6.700 -9.439 8.878 1.00 0.00 O ATOM 1179 CB LYS A 78 -5.873 -9.016 11.988 1.00 0.00 C ATOM 1180 CG LYS A 78 -6.048 -10.446 12.470 1.00 0.00 C ATOM 1181 CD LYS A 78 -7.080 -10.536 13.582 1.00 0.00 C ATOM 1182 CE LYS A 78 -7.555 -11.966 13.787 1.00 0.00 C ATOM 1183 NZ LYS A 78 -8.098 -12.180 15.156 1.00 0.00 N ATOM 0 H LYS A 78 -5.989 -6.990 10.478 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.115 -9.203 10.761 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.310 -8.456 12.735 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.853 -8.546 11.909 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.354 -11.077 11.636 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.092 -10.830 12.827 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.651 -10.158 14.510 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.932 -9.899 13.342 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.323 -12.202 13.051 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.726 -12.652 13.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.411 -13.167 15.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.358 -11.979 15.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.905 -11.544 15.313 1.00 0.00 H new ATOM 1197 N ARG A 79 -5.368 -11.096 9.616 1.00 0.00 N ATOM 1198 CA ARG A 79 -5.911 -12.090 8.697 1.00 0.00 C ATOM 1199 C ARG A 79 -6.867 -13.033 9.419 1.00 0.00 C ATOM 1200 O ARG A 79 -6.459 -13.796 10.294 1.00 0.00 O ATOM 1201 CB ARG A 79 -4.779 -12.891 8.051 1.00 0.00 C ATOM 1202 CG ARG A 79 -5.110 -13.399 6.657 1.00 0.00 C ATOM 1203 CD ARG A 79 -6.093 -14.558 6.705 1.00 0.00 C ATOM 1204 NE ARG A 79 -5.531 -15.724 7.382 1.00 0.00 N ATOM 1205 CZ ARG A 79 -4.680 -16.567 6.808 1.00 0.00 C ATOM 1206 NH1 ARG A 79 -4.294 -16.374 5.554 1.00 0.00 N ATOM 1207 NH2 ARG A 79 -4.213 -17.605 7.489 1.00 0.00 N ATOM 0 H ARG A 79 -4.634 -11.447 10.232 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.465 -11.564 7.919 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -3.887 -12.266 7.998 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.536 -13.740 8.690 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.531 -12.588 6.063 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.195 -13.717 6.158 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.001 -14.243 7.219 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.381 -14.832 5.690 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.807 -15.900 8.348 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.651 -15.576 5.028 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.640 -17.023 5.116 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.507 -17.756 8.454 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.560 -18.252 7.048 1.00 0.00 H new ATOM 1221 N GLU A 80 -8.143 -12.974 9.047 1.00 0.00 N ATOM 1222 CA GLU A 80 -9.158 -13.822 9.662 1.00 0.00 C ATOM 1223 C GLU A 80 -9.978 -14.547 8.598 1.00 0.00 C ATOM 1224 O GLU A 80 -10.976 -14.024 8.105 1.00 0.00 O ATOM 1225 CB GLU A 80 -10.081 -12.988 10.553 1.00 0.00 C ATOM 1226 CG GLU A 80 -11.180 -13.800 11.218 1.00 0.00 C ATOM 1227 CD GLU A 80 -12.275 -12.928 11.801 1.00 0.00 C ATOM 1228 OE1 GLU A 80 -11.949 -11.857 12.356 1.00 0.00 O ATOM 1229 OE2 GLU A 80 -13.458 -13.316 11.704 1.00 0.00 O ATOM 0 H GLU A 80 -8.498 -12.348 8.324 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.650 -14.567 10.275 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.485 -12.500 11.324 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.535 -12.199 9.954 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.614 -14.484 10.488 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.747 -14.412 12.010 1.00 0.00 H new ATOM 1236 N GLY A 81 -9.547 -15.756 8.248 1.00 0.00 N ATOM 1237 CA GLY A 81 -10.251 -16.532 7.245 1.00 0.00 C ATOM 1238 C GLY A 81 -9.900 -16.110 5.833 1.00 0.00 C ATOM 1239 O GLY A 81 -8.847 -15.526 5.580 1.00 0.00 O ATOM 0 H GLY A 81 -8.723 -16.211 8.642 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.014 -17.588 7.375 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.325 -16.426 7.396 1.00 0.00 H new ATOM 1243 N PRO A 82 -10.797 -16.410 4.881 1.00 0.00 N ATOM 1244 CA PRO A 82 -10.598 -16.067 3.470 1.00 0.00 C ATOM 1245 C PRO A 82 -10.688 -14.566 3.220 1.00 0.00 C ATOM 1246 O PRO A 82 -10.435 -14.094 2.111 1.00 0.00 O ATOM 1247 CB PRO A 82 -11.743 -16.796 2.763 1.00 0.00 C ATOM 1248 CG PRO A 82 -12.800 -16.940 3.803 1.00 0.00 C ATOM 1249 CD PRO A 82 -12.075 -17.105 5.110 1.00 0.00 C ATOM 0 HA PRO A 82 -9.608 -16.355 3.116 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.105 -16.227 1.906 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.422 -17.768 2.388 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.448 -16.064 3.824 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.435 -17.802 3.597 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -12.631 -16.662 5.937 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -11.923 -18.156 5.355 1.00 0.00 H new ATOM 1257 N LYS A 83 -11.049 -13.818 4.257 1.00 0.00 N ATOM 1258 CA LYS A 83 -11.171 -12.369 4.151 1.00 0.00 C ATOM 1259 C LYS A 83 -10.231 -11.671 5.130 1.00 0.00 C ATOM 1260 O LYS A 83 -9.749 -12.281 6.084 1.00 0.00 O ATOM 1261 CB LYS A 83 -12.614 -11.936 4.416 1.00 0.00 C ATOM 1262 CG LYS A 83 -13.162 -12.429 5.745 1.00 0.00 C ATOM 1263 CD LYS A 83 -12.615 -11.618 6.908 1.00 0.00 C ATOM 1264 CE LYS A 83 -13.553 -11.658 8.104 1.00 0.00 C ATOM 1265 NZ LYS A 83 -13.512 -12.974 8.799 1.00 0.00 N ATOM 0 H LYS A 83 -11.262 -14.192 5.182 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.893 -12.080 3.138 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.668 -10.848 4.391 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.249 -12.305 3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.250 -12.367 5.737 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.904 -13.479 5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.638 -12.007 7.197 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.467 -10.585 6.595 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.281 -10.869 8.805 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.571 -11.454 7.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.782 -12.849 9.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.176 -13.630 8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.549 -13.364 8.747 1.00 0.00 H new ATOM 1279 N TYR A 84 -9.979 -10.389 4.889 1.00 0.00 N ATOM 1280 CA TYR A 84 -9.098 -9.609 5.750 1.00 0.00 C ATOM 1281 C TYR A 84 -9.904 -8.756 6.725 1.00 0.00 C ATOM 1282 O TYR A 84 -11.099 -8.533 6.532 1.00 0.00 O ATOM 1283 CB TYR A 84 -8.187 -8.716 4.906 1.00 0.00 C ATOM 1284 CG TYR A 84 -7.276 -9.486 3.977 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -6.540 -10.572 4.436 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -7.150 -9.128 2.641 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -5.706 -11.279 3.590 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -6.320 -9.830 1.788 1.00 0.00 C ATOM 1289 CZ TYR A 84 -5.600 -10.904 2.267 1.00 0.00 C ATOM 1290 OH TYR A 84 -4.771 -11.604 1.421 1.00 0.00 O ATOM 0 H TYR A 84 -10.372 -9.868 4.105 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.485 -10.303 6.325 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -8.803 -8.037 4.317 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -7.579 -8.101 5.570 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.621 -10.869 5.471 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.711 -8.286 2.262 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -5.141 -12.120 3.963 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.236 -9.539 0.751 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.812 -11.212 0.524 1.00 0.00 H new ATOM 1300 N VAL A 85 -9.239 -8.280 7.773 1.00 0.00 N ATOM 1301 CA VAL A 85 -9.892 -7.450 8.778 1.00 0.00 C ATOM 1302 C VAL A 85 -8.975 -6.321 9.238 1.00 0.00 C ATOM 1303 O VAL A 85 -7.962 -6.561 9.896 1.00 0.00 O ATOM 1304 CB VAL A 85 -10.318 -8.281 10.003 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -10.931 -7.386 11.068 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -11.290 -9.376 9.589 1.00 0.00 C ATOM 0 H VAL A 85 -8.249 -8.455 7.948 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.780 -7.026 8.310 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.432 -8.754 10.427 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.226 -7.991 11.926 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -10.200 -6.642 11.383 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.808 -6.883 10.660 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.582 -9.954 10.466 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -12.176 -8.926 9.140 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -10.810 -10.033 8.864 1.00 0.00 H new ATOM 1316 N ILE A 86 -9.336 -5.092 8.888 1.00 0.00 N ATOM 1317 CA ILE A 86 -8.547 -3.926 9.266 1.00 0.00 C ATOM 1318 C ILE A 86 -8.466 -3.786 10.783 1.00 0.00 C ATOM 1319 O ILE A 86 -9.382 -4.183 11.503 1.00 0.00 O ATOM 1320 CB ILE A 86 -9.134 -2.632 8.673 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -9.220 -2.738 7.149 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -8.290 -1.433 9.080 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -9.916 -1.561 6.500 1.00 0.00 C ATOM 0 H ILE A 86 -10.171 -4.877 8.343 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.546 -4.078 8.863 1.00 0.00 H new ATOM 0 HB ILE A 86 -10.141 -2.493 9.066 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -8.213 -2.824 6.741 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -9.750 -3.653 6.886 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.717 -0.526 8.653 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.275 -1.351 10.167 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.272 -1.563 8.712 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.941 -1.703 5.420 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.935 -1.486 6.880 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -9.374 -0.644 6.733 1.00 0.00 H new ATOM 1335 N ASP A 87 -7.364 -3.217 11.261 1.00 0.00 N ATOM 1336 CA ASP A 87 -7.164 -3.021 12.691 1.00 0.00 C ATOM 1337 C ASP A 87 -7.638 -1.636 13.121 1.00 0.00 C ATOM 1338 O ASP A 87 -6.898 -0.885 13.757 1.00 0.00 O ATOM 1339 CB ASP A 87 -5.690 -3.205 13.052 1.00 0.00 C ATOM 1340 CG ASP A 87 -5.499 -3.739 14.458 1.00 0.00 C ATOM 1341 OD1 ASP A 87 -6.298 -4.601 14.878 1.00 0.00 O ATOM 1342 OD2 ASP A 87 -4.551 -3.293 15.139 1.00 0.00 O ATOM 0 H ASP A 87 -6.596 -2.884 10.678 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.755 -3.768 13.221 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.228 -3.890 12.341 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.174 -2.250 12.956 1.00 0.00 H new ATOM 1347 N VAL A 88 -8.876 -1.305 12.771 1.00 0.00 N ATOM 1348 CA VAL A 88 -9.449 -0.010 13.121 1.00 0.00 C ATOM 1349 C VAL A 88 -10.659 -0.173 14.033 1.00 0.00 C ATOM 1350 O VAL A 88 -11.033 -1.289 14.392 1.00 0.00 O ATOM 1351 CB VAL A 88 -9.869 0.776 11.865 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -8.650 1.143 11.032 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -10.865 -0.028 11.041 1.00 0.00 C ATOM 0 H VAL A 88 -9.502 -1.915 12.245 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.674 0.547 13.647 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.355 1.699 12.181 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.966 1.698 10.149 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.976 1.760 11.626 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.133 0.234 10.724 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.151 0.543 10.157 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.408 -0.968 10.733 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.751 -0.235 11.641 1.00 0.00 H new ATOM 1363 N GLU A 89 -11.269 0.949 14.404 1.00 0.00 N ATOM 1364 CA GLU A 89 -12.439 0.929 15.275 1.00 0.00 C ATOM 1365 C GLU A 89 -13.298 -0.302 15.005 1.00 0.00 C ATOM 1366 O GLU A 89 -13.533 -1.115 15.899 1.00 0.00 O ATOM 1367 CB GLU A 89 -13.270 2.199 15.078 1.00 0.00 C ATOM 1368 CG GLU A 89 -12.507 3.479 15.374 1.00 0.00 C ATOM 1369 CD GLU A 89 -13.309 4.724 15.051 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -13.613 4.942 13.858 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -13.633 5.481 15.989 1.00 0.00 O ATOM 0 H GLU A 89 -10.973 1.882 14.116 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.091 0.887 16.307 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -13.631 2.231 14.050 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -14.148 2.152 15.723 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.227 3.495 16.427 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.582 3.488 14.798 1.00 0.00 H new ATOM 1378 N GLN A 90 -13.764 -0.432 13.767 1.00 0.00 N ATOM 1379 CA GLN A 90 -14.597 -1.563 13.379 1.00 0.00 C ATOM 1380 C GLN A 90 -13.852 -2.487 12.422 1.00 0.00 C ATOM 1381 O GLN A 90 -13.141 -2.044 11.520 1.00 0.00 O ATOM 1382 CB GLN A 90 -15.890 -1.071 12.728 1.00 0.00 C ATOM 1383 CG GLN A 90 -15.696 -0.536 11.319 1.00 0.00 C ATOM 1384 CD GLN A 90 -16.947 0.118 10.765 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -17.975 -0.536 10.585 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -16.866 1.415 10.491 1.00 0.00 N ATOM 0 H GLN A 90 -13.578 0.232 13.016 1.00 0.00 H new ATOM 0 HA GLN A 90 -14.842 -2.126 14.280 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -16.608 -1.891 12.701 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -16.324 -0.287 13.349 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -14.881 0.188 11.319 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -15.397 -1.353 10.662 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -15.994 1.918 10.656 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -17.676 1.909 10.116 1.00 0.00 H new ATOM 1395 N PRO A 91 -14.014 -3.804 12.623 1.00 0.00 N ATOM 1396 CA PRO A 91 -13.364 -4.818 11.787 1.00 0.00 C ATOM 1397 C PRO A 91 -13.939 -4.862 10.376 1.00 0.00 C ATOM 1398 O PRO A 91 -14.841 -5.649 10.087 1.00 0.00 O ATOM 1399 CB PRO A 91 -13.657 -6.127 12.525 1.00 0.00 C ATOM 1400 CG PRO A 91 -14.903 -5.857 13.296 1.00 0.00 C ATOM 1401 CD PRO A 91 -14.845 -4.404 13.680 1.00 0.00 C ATOM 0 HA PRO A 91 -12.301 -4.616 11.654 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -13.795 -6.953 11.827 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -12.835 -6.402 13.185 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -15.787 -6.067 12.694 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -14.961 -6.492 14.180 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -15.839 -3.957 13.712 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.402 -4.267 14.666 1.00 0.00 H new ATOM 1409 N PHE A 92 -13.412 -4.013 9.500 1.00 0.00 N ATOM 1410 CA PHE A 92 -13.874 -3.955 8.118 1.00 0.00 C ATOM 1411 C PHE A 92 -13.440 -5.198 7.346 1.00 0.00 C ATOM 1412 O PHE A 92 -12.249 -5.421 7.127 1.00 0.00 O ATOM 1413 CB PHE A 92 -13.335 -2.700 7.430 1.00 0.00 C ATOM 1414 CG PHE A 92 -13.609 -2.660 5.954 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -14.873 -2.346 5.480 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -12.605 -2.936 5.041 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -15.129 -2.308 4.121 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -12.855 -2.900 3.683 1.00 0.00 C ATOM 1419 CZ PHE A 92 -14.120 -2.586 3.222 1.00 0.00 C ATOM 0 H PHE A 92 -12.665 -3.356 9.723 1.00 0.00 H new ATOM 0 HA PHE A 92 -14.963 -3.917 8.127 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -13.778 -1.821 7.897 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -12.259 -2.640 7.593 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -15.667 -2.129 6.179 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -11.615 -3.182 5.395 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -16.118 -2.061 3.764 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -12.063 -3.117 2.982 1.00 0.00 H new ATOM 0 HZ PHE A 92 -14.318 -2.558 2.161 1.00 0.00 H new ATOM 1429 N SER A 93 -14.415 -6.004 6.938 1.00 0.00 N ATOM 1430 CA SER A 93 -14.134 -7.227 6.195 1.00 0.00 C ATOM 1431 C SER A 93 -14.182 -6.973 4.692 1.00 0.00 C ATOM 1432 O SER A 93 -15.019 -6.210 4.207 1.00 0.00 O ATOM 1433 CB SER A 93 -15.137 -8.319 6.572 1.00 0.00 C ATOM 1434 OG SER A 93 -16.461 -7.928 6.250 1.00 0.00 O ATOM 0 H SER A 93 -15.406 -5.832 7.109 1.00 0.00 H new ATOM 0 HA SER A 93 -13.130 -7.560 6.457 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.889 -9.242 6.047 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.066 -8.530 7.639 1.00 0.00 H new ATOM 0 HG SER A 93 -17.083 -8.643 6.499 1.00 0.00 H new ATOM 1440 N CYS A 94 -13.280 -7.616 3.960 1.00 0.00 N ATOM 1441 CA CYS A 94 -13.218 -7.459 2.511 1.00 0.00 C ATOM 1442 C CYS A 94 -12.842 -8.775 1.838 1.00 0.00 C ATOM 1443 O CYS A 94 -12.300 -9.680 2.475 1.00 0.00 O ATOM 1444 CB CYS A 94 -12.208 -6.374 2.137 1.00 0.00 C ATOM 1445 SG CYS A 94 -10.494 -6.791 2.536 1.00 0.00 S ATOM 0 H CYS A 94 -12.581 -8.251 4.346 1.00 0.00 H new ATOM 0 HA CYS A 94 -14.206 -7.161 2.160 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -12.283 -6.176 1.068 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -12.475 -5.451 2.652 1.00 0.00 H new ATOM 0 HG CYS A 94 -9.776 -6.760 1.453 1.00 0.00 H new ATOM 1451 N THR A 95 -13.133 -8.877 0.545 1.00 0.00 N ATOM 1452 CA THR A 95 -12.828 -10.083 -0.215 1.00 0.00 C ATOM 1453 C THR A 95 -11.396 -10.057 -0.735 1.00 0.00 C ATOM 1454 O THR A 95 -10.806 -11.103 -1.009 1.00 0.00 O ATOM 1455 CB THR A 95 -13.791 -10.256 -1.404 1.00 0.00 C ATOM 1456 OG1 THR A 95 -13.820 -9.059 -2.189 1.00 0.00 O ATOM 1457 CG2 THR A 95 -15.196 -10.586 -0.921 1.00 0.00 C ATOM 0 H THR A 95 -13.580 -8.138 0.002 1.00 0.00 H new ATOM 0 HA THR A 95 -12.949 -10.925 0.466 1.00 0.00 H new ATOM 0 HB THR A 95 -13.431 -11.083 -2.016 1.00 0.00 H new ATOM 0 HG1 THR A 95 -14.433 -9.178 -2.944 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.858 -10.703 -1.779 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.176 -11.514 -0.349 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.562 -9.778 -0.288 1.00 0.00 H new ATOM 1465 N SER A 96 -10.840 -8.857 -0.868 1.00 0.00 N ATOM 1466 CA SER A 96 -9.476 -8.696 -1.357 1.00 0.00 C ATOM 1467 C SER A 96 -8.881 -7.374 -0.883 1.00 0.00 C ATOM 1468 O SER A 96 -9.603 -6.477 -0.442 1.00 0.00 O ATOM 1469 CB SER A 96 -9.450 -8.761 -2.886 1.00 0.00 C ATOM 1470 OG SER A 96 -9.638 -10.089 -3.342 1.00 0.00 O ATOM 0 H SER A 96 -11.313 -7.982 -0.644 1.00 0.00 H new ATOM 0 HA SER A 96 -8.873 -9.510 -0.955 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.231 -8.119 -3.294 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.498 -8.378 -3.253 1.00 0.00 H new ATOM 0 HG SER A 96 -9.948 -10.649 -2.600 1.00 0.00 H new ATOM 1476 N LEU A 97 -7.561 -7.258 -0.978 1.00 0.00 N ATOM 1477 CA LEU A 97 -6.868 -6.045 -0.559 1.00 0.00 C ATOM 1478 C LEU A 97 -7.427 -4.823 -1.278 1.00 0.00 C ATOM 1479 O LEU A 97 -7.690 -3.792 -0.657 1.00 0.00 O ATOM 1480 CB LEU A 97 -5.368 -6.172 -0.834 1.00 0.00 C ATOM 1481 CG LEU A 97 -4.535 -6.826 0.269 1.00 0.00 C ATOM 1482 CD1 LEU A 97 -3.155 -7.195 -0.251 1.00 0.00 C ATOM 1483 CD2 LEU A 97 -4.424 -5.902 1.473 1.00 0.00 C ATOM 0 H LEU A 97 -6.949 -7.989 -1.341 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.026 -5.916 0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.235 -6.746 -1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.968 -5.175 -1.021 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.038 -7.740 0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.577 -7.659 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.254 -7.895 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.643 -6.296 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.828 -6.384 2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.945 -4.970 1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.420 -5.689 1.861 1.00 0.00 H new ATOM 1495 N ASP A 98 -7.607 -4.944 -2.588 1.00 0.00 N ATOM 1496 CA ASP A 98 -8.138 -3.849 -3.391 1.00 0.00 C ATOM 1497 C ASP A 98 -9.210 -3.081 -2.623 1.00 0.00 C ATOM 1498 O ASP A 98 -9.159 -1.855 -2.526 1.00 0.00 O ATOM 1499 CB ASP A 98 -8.719 -4.384 -4.702 1.00 0.00 C ATOM 1500 CG ASP A 98 -7.847 -5.457 -5.325 1.00 0.00 C ATOM 1501 OD1 ASP A 98 -7.930 -6.621 -4.880 1.00 0.00 O ATOM 1502 OD2 ASP A 98 -7.085 -5.132 -6.259 1.00 0.00 O ATOM 0 H ASP A 98 -7.393 -5.790 -3.117 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.318 -3.167 -3.616 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -9.713 -4.790 -4.517 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.837 -3.561 -5.407 1.00 0.00 H new ATOM 1507 N ALA A 99 -10.178 -3.811 -2.078 1.00 0.00 N ATOM 1508 CA ALA A 99 -11.260 -3.198 -1.318 1.00 0.00 C ATOM 1509 C ALA A 99 -10.714 -2.318 -0.199 1.00 0.00 C ATOM 1510 O ALA A 99 -11.210 -1.215 0.035 1.00 0.00 O ATOM 1511 CB ALA A 99 -12.177 -4.270 -0.748 1.00 0.00 C ATOM 0 H ALA A 99 -10.235 -4.827 -2.149 1.00 0.00 H new ATOM 0 HA ALA A 99 -11.834 -2.566 -1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -12.981 -3.798 -0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.602 -4.856 -1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.606 -4.925 -0.090 1.00 0.00 H new ATOM 1517 N VAL A 100 -9.691 -2.811 0.491 1.00 0.00 N ATOM 1518 CA VAL A 100 -9.077 -2.068 1.586 1.00 0.00 C ATOM 1519 C VAL A 100 -8.830 -0.616 1.194 1.00 0.00 C ATOM 1520 O VAL A 100 -9.259 0.307 1.886 1.00 0.00 O ATOM 1521 CB VAL A 100 -7.745 -2.706 2.019 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -7.117 -1.911 3.154 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -7.956 -4.156 2.424 1.00 0.00 C ATOM 0 H VAL A 100 -9.269 -3.722 0.311 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.775 -2.101 2.422 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.060 -2.687 1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.176 -2.377 3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.929 -0.890 2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.796 -1.896 4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.004 -4.591 2.727 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.658 -4.203 3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.358 -4.715 1.579 1.00 0.00 H new ATOM 1533 N VAL A 101 -8.136 -0.420 0.077 1.00 0.00 N ATOM 1534 CA VAL A 101 -7.832 0.920 -0.409 1.00 0.00 C ATOM 1535 C VAL A 101 -9.082 1.792 -0.435 1.00 0.00 C ATOM 1536 O VAL A 101 -9.044 2.961 -0.051 1.00 0.00 O ATOM 1537 CB VAL A 101 -7.219 0.880 -1.822 1.00 0.00 C ATOM 1538 CG1 VAL A 101 -7.038 2.288 -2.367 1.00 0.00 C ATOM 1539 CG2 VAL A 101 -5.895 0.131 -1.806 1.00 0.00 C ATOM 0 H VAL A 101 -7.774 -1.173 -0.508 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.106 1.349 0.282 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.904 0.348 -2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -6.604 2.239 -3.366 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.006 2.786 -2.416 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.374 2.850 -1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.476 0.112 -2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.201 0.634 -1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.059 -0.890 -1.462 1.00 0.00 H new ATOM 1549 N ASN A 102 -10.190 1.215 -0.889 1.00 0.00 N ATOM 1550 CA ASN A 102 -11.454 1.940 -0.965 1.00 0.00 C ATOM 1551 C ASN A 102 -11.983 2.257 0.430 1.00 0.00 C ATOM 1552 O ASN A 102 -12.402 3.382 0.706 1.00 0.00 O ATOM 1553 CB ASN A 102 -12.488 1.123 -1.742 1.00 0.00 C ATOM 1554 CG ASN A 102 -12.318 1.253 -3.244 1.00 0.00 C ATOM 1555 OD1 ASN A 102 -12.608 2.300 -3.824 1.00 0.00 O ATOM 1556 ND2 ASN A 102 -11.846 0.187 -3.880 1.00 0.00 N ATOM 0 H ASN A 102 -10.239 0.248 -1.210 1.00 0.00 H new ATOM 0 HA ASN A 102 -11.275 2.879 -1.489 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -12.405 0.074 -1.459 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.490 1.450 -1.463 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -11.710 0.215 -4.891 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -11.619 -0.659 -3.358 1.00 0.00 H new ATOM 1563 N TYR A 103 -11.961 1.259 1.306 1.00 0.00 N ATOM 1564 CA TYR A 103 -12.441 1.430 2.672 1.00 0.00 C ATOM 1565 C TYR A 103 -11.948 2.749 3.261 1.00 0.00 C ATOM 1566 O TYR A 103 -12.737 3.558 3.749 1.00 0.00 O ATOM 1567 CB TYR A 103 -11.979 0.264 3.547 1.00 0.00 C ATOM 1568 CG TYR A 103 -12.240 0.473 5.022 1.00 0.00 C ATOM 1569 CD1 TYR A 103 -13.522 0.357 5.543 1.00 0.00 C ATOM 1570 CD2 TYR A 103 -11.204 0.788 5.893 1.00 0.00 C ATOM 1571 CE1 TYR A 103 -13.766 0.547 6.890 1.00 0.00 C ATOM 1572 CE2 TYR A 103 -11.438 0.978 7.242 1.00 0.00 C ATOM 1573 CZ TYR A 103 -12.721 0.857 7.735 1.00 0.00 C ATOM 1574 OH TYR A 103 -12.958 1.048 9.077 1.00 0.00 O ATOM 0 H TYR A 103 -11.616 0.323 1.094 1.00 0.00 H new ATOM 0 HA TYR A 103 -13.531 1.448 2.648 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -12.485 -0.645 3.222 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.911 0.107 3.394 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -14.343 0.114 4.884 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -10.199 0.886 5.509 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -14.769 0.453 7.279 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -10.621 1.220 7.906 1.00 0.00 H new ATOM 0 HH TYR A 103 -13.722 0.501 9.355 1.00 0.00 H new ATOM 1584 N PHE A 104 -10.636 2.958 3.212 1.00 0.00 N ATOM 1585 CA PHE A 104 -10.036 4.177 3.740 1.00 0.00 C ATOM 1586 C PHE A 104 -10.516 5.401 2.965 1.00 0.00 C ATOM 1587 O PHE A 104 -11.013 6.363 3.548 1.00 0.00 O ATOM 1588 CB PHE A 104 -8.510 4.088 3.678 1.00 0.00 C ATOM 1589 CG PHE A 104 -7.928 3.096 4.644 1.00 0.00 C ATOM 1590 CD1 PHE A 104 -7.684 3.453 5.961 1.00 0.00 C ATOM 1591 CD2 PHE A 104 -7.623 1.808 4.236 1.00 0.00 C ATOM 1592 CE1 PHE A 104 -7.149 2.543 6.853 1.00 0.00 C ATOM 1593 CE2 PHE A 104 -7.087 0.893 5.123 1.00 0.00 C ATOM 1594 CZ PHE A 104 -6.849 1.261 6.434 1.00 0.00 C ATOM 0 H PHE A 104 -9.969 2.299 2.812 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.346 4.283 4.780 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.211 3.816 2.666 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.088 5.072 3.882 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.915 4.454 6.294 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.806 1.515 3.213 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.966 2.834 7.877 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.854 -0.108 4.792 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.430 0.548 7.129 1.00 0.00 H new ATOM 1604 N VAL A 105 -10.365 5.354 1.645 1.00 0.00 N ATOM 1605 CA VAL A 105 -10.784 6.457 0.788 1.00 0.00 C ATOM 1606 C VAL A 105 -12.112 7.043 1.256 1.00 0.00 C ATOM 1607 O VAL A 105 -12.241 8.254 1.429 1.00 0.00 O ATOM 1608 CB VAL A 105 -10.922 6.008 -0.679 1.00 0.00 C ATOM 1609 CG1 VAL A 105 -11.427 7.153 -1.543 1.00 0.00 C ATOM 1610 CG2 VAL A 105 -9.593 5.482 -1.201 1.00 0.00 C ATOM 0 H VAL A 105 -9.956 4.564 1.146 1.00 0.00 H new ATOM 0 HA VAL A 105 -10.009 7.221 0.855 1.00 0.00 H new ATOM 0 HB VAL A 105 -11.652 5.200 -0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -11.518 6.817 -2.576 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -12.402 7.480 -1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.724 7.984 -1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.708 5.169 -2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.841 6.269 -1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.277 4.631 -0.598 1.00 0.00 H new ATOM 1620 N SER A 106 -13.096 6.173 1.459 1.00 0.00 N ATOM 1621 CA SER A 106 -14.417 6.605 1.903 1.00 0.00 C ATOM 1622 C SER A 106 -14.404 6.948 3.389 1.00 0.00 C ATOM 1623 O SER A 106 -14.963 7.961 3.809 1.00 0.00 O ATOM 1624 CB SER A 106 -15.452 5.511 1.630 1.00 0.00 C ATOM 1625 OG SER A 106 -16.754 6.059 1.520 1.00 0.00 O ATOM 0 H SER A 106 -13.004 5.166 1.323 1.00 0.00 H new ATOM 0 HA SER A 106 -14.688 7.500 1.343 1.00 0.00 H new ATOM 0 HB2 SER A 106 -15.196 4.985 0.710 1.00 0.00 H new ATOM 0 HB3 SER A 106 -15.430 4.776 2.434 1.00 0.00 H new ATOM 0 HG SER A 106 -17.397 5.341 1.344 1.00 0.00 H new ATOM 1631 N HIS A 107 -13.761 6.096 4.183 1.00 0.00 N ATOM 1632 CA HIS A 107 -13.675 6.309 5.622 1.00 0.00 C ATOM 1633 C HIS A 107 -13.339 7.764 5.937 1.00 0.00 C ATOM 1634 O HIS A 107 -14.137 8.479 6.546 1.00 0.00 O ATOM 1635 CB HIS A 107 -12.618 5.387 6.233 1.00 0.00 C ATOM 1636 CG HIS A 107 -12.388 5.624 7.693 1.00 0.00 C ATOM 1637 ND1 HIS A 107 -11.755 6.632 8.339 1.00 0.00 N flip ATOM 1638 CD2 HIS A 107 -12.832 4.762 8.674 1.00 0.00 C flip ATOM 1639 CE1 HIS A 107 -11.828 6.364 9.683 1.00 0.00 C flip ATOM 1640 NE2 HIS A 107 -12.484 5.230 9.860 1.00 0.00 N flip ATOM 0 H HIS A 107 -13.292 5.252 3.853 1.00 0.00 H new ATOM 0 HA HIS A 107 -14.647 6.076 6.057 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -12.922 4.351 6.085 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -11.677 5.522 5.699 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -13.379 3.847 8.500 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -11.416 6.980 10.469 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -12.687 4.791 10.758 1.00 0.00 H new ATOM 1649 N THR A 108 -12.154 8.197 5.521 1.00 0.00 N ATOM 1650 CA THR A 108 -11.713 9.565 5.759 1.00 0.00 C ATOM 1651 C THR A 108 -12.639 10.568 5.080 1.00 0.00 C ATOM 1652 O THR A 108 -13.341 10.234 4.126 1.00 0.00 O ATOM 1653 CB THR A 108 -10.275 9.789 5.255 1.00 0.00 C ATOM 1654 OG1 THR A 108 -9.802 11.075 5.673 1.00 0.00 O ATOM 1655 CG2 THR A 108 -10.212 9.689 3.738 1.00 0.00 C ATOM 0 H THR A 108 -11.481 7.619 5.017 1.00 0.00 H new ATOM 0 HA THR A 108 -11.740 9.721 6.837 1.00 0.00 H new ATOM 0 HB THR A 108 -9.640 9.013 5.682 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.887 11.208 5.350 1.00 0.00 H new ATOM 0 HG21 THR A 108 -9.187 9.851 3.405 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.544 8.699 3.425 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.861 10.446 3.296 1.00 0.00 H new ATOM 1663 N LYS A 109 -12.635 11.800 5.578 1.00 0.00 N ATOM 1664 CA LYS A 109 -13.474 12.854 5.019 1.00 0.00 C ATOM 1665 C LYS A 109 -12.749 13.586 3.894 1.00 0.00 C ATOM 1666 O LYS A 109 -13.379 14.214 3.041 1.00 0.00 O ATOM 1667 CB LYS A 109 -13.877 13.848 6.112 1.00 0.00 C ATOM 1668 CG LYS A 109 -12.694 14.481 6.823 1.00 0.00 C ATOM 1669 CD LYS A 109 -12.341 13.730 8.096 1.00 0.00 C ATOM 1670 CE LYS A 109 -10.849 13.793 8.384 1.00 0.00 C ATOM 1671 NZ LYS A 109 -10.493 13.050 9.625 1.00 0.00 N ATOM 0 H LYS A 109 -12.060 12.093 6.368 1.00 0.00 H new ATOM 0 HA LYS A 109 -14.372 12.391 4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.488 14.635 5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.500 13.336 6.846 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -11.832 14.494 6.156 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -12.926 15.518 7.064 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.893 14.154 8.935 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.651 12.689 8.004 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -10.298 13.377 7.541 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -10.542 14.834 8.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -9.468 13.116 9.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -10.999 13.463 10.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -10.763 12.051 9.521 1.00 0.00 H new ATOM 1685 N LYS A 110 -11.423 13.500 3.896 1.00 0.00 N ATOM 1686 CA LYS A 110 -10.613 14.152 2.874 1.00 0.00 C ATOM 1687 C LYS A 110 -10.362 13.213 1.698 1.00 0.00 C ATOM 1688 O LYS A 110 -10.522 11.998 1.817 1.00 0.00 O ATOM 1689 CB LYS A 110 -9.279 14.611 3.467 1.00 0.00 C ATOM 1690 CG LYS A 110 -9.350 15.969 4.142 1.00 0.00 C ATOM 1691 CD LYS A 110 -9.255 17.099 3.131 1.00 0.00 C ATOM 1692 CE LYS A 110 -7.814 17.358 2.717 1.00 0.00 C ATOM 1693 NZ LYS A 110 -7.720 18.403 1.661 1.00 0.00 N ATOM 0 H LYS A 110 -10.887 12.985 4.594 1.00 0.00 H new ATOM 0 HA LYS A 110 -11.161 15.022 2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.939 13.871 4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.532 14.647 2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -10.285 16.053 4.696 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.541 16.059 4.867 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.849 16.852 2.251 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -9.681 18.007 3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.236 17.668 3.588 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.369 16.432 2.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.723 18.550 1.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.250 18.096 0.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -8.122 19.294 2.017 1.00 0.00 H new ATOM 1707 N ALA A 111 -9.966 13.784 0.565 1.00 0.00 N ATOM 1708 CA ALA A 111 -9.690 12.997 -0.631 1.00 0.00 C ATOM 1709 C ALA A 111 -8.222 12.588 -0.691 1.00 0.00 C ATOM 1710 O ALA A 111 -7.419 13.217 -1.382 1.00 0.00 O ATOM 1711 CB ALA A 111 -10.074 13.778 -1.878 1.00 0.00 C ATOM 0 H ALA A 111 -9.829 14.788 0.450 1.00 0.00 H new ATOM 0 HA ALA A 111 -10.292 12.089 -0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -9.862 13.178 -2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -11.138 14.015 -1.846 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.498 14.702 -1.920 1.00 0.00 H new ATOM 1717 N LEU A 112 -7.876 11.532 0.036 1.00 0.00 N ATOM 1718 CA LEU A 112 -6.502 11.039 0.065 1.00 0.00 C ATOM 1719 C LEU A 112 -6.056 10.590 -1.323 1.00 0.00 C ATOM 1720 O LEU A 112 -6.879 10.380 -2.214 1.00 0.00 O ATOM 1721 CB LEU A 112 -6.377 9.879 1.054 1.00 0.00 C ATOM 1722 CG LEU A 112 -6.506 10.241 2.534 1.00 0.00 C ATOM 1723 CD1 LEU A 112 -6.669 8.988 3.379 1.00 0.00 C ATOM 1724 CD2 LEU A 112 -5.296 11.042 2.993 1.00 0.00 C ATOM 0 H LEU A 112 -8.527 11.000 0.614 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.855 11.855 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.141 9.139 0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.410 9.400 0.901 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.396 10.857 2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.759 9.266 4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.566 8.453 3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.799 8.345 3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.404 11.291 4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.392 10.450 2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.224 11.959 2.409 1.00 0.00 H new ATOM 1736 N VAL A 113 -4.746 10.443 -1.497 1.00 0.00 N ATOM 1737 CA VAL A 113 -4.190 10.015 -2.775 1.00 0.00 C ATOM 1738 C VAL A 113 -3.319 8.774 -2.608 1.00 0.00 C ATOM 1739 O VAL A 113 -2.413 8.729 -1.777 1.00 0.00 O ATOM 1740 CB VAL A 113 -3.352 11.133 -3.425 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -2.715 10.641 -4.716 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -4.210 12.363 -3.679 1.00 0.00 C ATOM 0 H VAL A 113 -4.051 10.614 -0.770 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.033 9.779 -3.424 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.554 11.411 -2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -2.127 11.444 -5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.066 9.792 -4.501 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.495 10.334 -5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.602 13.142 -4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.031 12.102 -4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.613 12.727 -2.734 1.00 0.00 H new ATOM 1752 N PRO A 114 -3.600 7.742 -3.418 1.00 0.00 N ATOM 1753 CA PRO A 114 -2.852 6.481 -3.380 1.00 0.00 C ATOM 1754 C PRO A 114 -1.429 6.634 -3.905 1.00 0.00 C ATOM 1755 O PRO A 114 -1.167 7.450 -4.790 1.00 0.00 O ATOM 1756 CB PRO A 114 -3.664 5.560 -4.294 1.00 0.00 C ATOM 1757 CG PRO A 114 -4.375 6.481 -5.225 1.00 0.00 C ATOM 1758 CD PRO A 114 -4.665 7.726 -4.433 1.00 0.00 C ATOM 0 HA PRO A 114 -2.740 6.104 -2.363 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -3.017 4.870 -4.836 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -4.367 4.955 -3.722 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.760 6.707 -6.096 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -5.296 6.029 -5.593 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -4.635 8.617 -5.060 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -5.654 7.690 -3.977 1.00 0.00 H new ATOM 1766 N PHE A 115 -0.512 5.845 -3.355 1.00 0.00 N ATOM 1767 CA PHE A 115 0.885 5.893 -3.769 1.00 0.00 C ATOM 1768 C PHE A 115 1.163 4.872 -4.867 1.00 0.00 C ATOM 1769 O PHE A 115 1.124 3.663 -4.632 1.00 0.00 O ATOM 1770 CB PHE A 115 1.802 5.633 -2.572 1.00 0.00 C ATOM 1771 CG PHE A 115 3.249 5.922 -2.851 1.00 0.00 C ATOM 1772 CD1 PHE A 115 3.937 5.212 -3.821 1.00 0.00 C ATOM 1773 CD2 PHE A 115 3.922 6.906 -2.143 1.00 0.00 C ATOM 1774 CE1 PHE A 115 5.269 5.475 -4.079 1.00 0.00 C ATOM 1775 CE2 PHE A 115 5.254 7.174 -2.398 1.00 0.00 C ATOM 1776 CZ PHE A 115 5.928 6.458 -3.368 1.00 0.00 C ATOM 0 H PHE A 115 -0.711 5.165 -2.622 1.00 0.00 H new ATOM 0 HA PHE A 115 1.087 6.889 -4.164 1.00 0.00 H new ATOM 0 HB2 PHE A 115 1.473 6.246 -1.733 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.700 4.592 -2.266 1.00 0.00 H new ATOM 0 HD1 PHE A 115 3.426 4.444 -4.382 1.00 0.00 H new ATOM 0 HD2 PHE A 115 3.400 7.469 -1.384 1.00 0.00 H new ATOM 0 HE1 PHE A 115 5.794 4.912 -4.836 1.00 0.00 H new ATOM 0 HE2 PHE A 115 5.767 7.943 -1.839 1.00 0.00 H new ATOM 0 HZ PHE A 115 6.968 6.667 -3.570 1.00 0.00 H new ATOM 1786 N LEU A 116 1.443 5.366 -6.068 1.00 0.00 N ATOM 1787 CA LEU A 116 1.727 4.497 -7.205 1.00 0.00 C ATOM 1788 C LEU A 116 2.996 4.941 -7.926 1.00 0.00 C ATOM 1789 O LEU A 116 3.226 6.135 -8.123 1.00 0.00 O ATOM 1790 CB LEU A 116 0.548 4.496 -8.179 1.00 0.00 C ATOM 1791 CG LEU A 116 0.699 3.611 -9.416 1.00 0.00 C ATOM 1792 CD1 LEU A 116 0.774 2.145 -9.018 1.00 0.00 C ATOM 1793 CD2 LEU A 116 -0.453 3.843 -10.383 1.00 0.00 C ATOM 0 H LEU A 116 1.479 6.363 -6.280 1.00 0.00 H new ATOM 0 HA LEU A 116 1.880 3.486 -6.828 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.344 4.180 -7.638 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.375 5.520 -8.509 1.00 0.00 H new ATOM 0 HG LEU A 116 1.629 3.879 -9.918 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.881 1.530 -9.912 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.633 1.989 -8.365 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.138 1.864 -8.492 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.328 3.204 -11.257 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.395 3.604 -9.890 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.462 4.887 -10.695 1.00 0.00 H new ATOM 1805 N LEU A 117 3.817 3.973 -8.319 1.00 0.00 N ATOM 1806 CA LEU A 117 5.063 4.263 -9.021 1.00 0.00 C ATOM 1807 C LEU A 117 5.212 3.378 -10.253 1.00 0.00 C ATOM 1808 O LEU A 117 5.502 2.186 -10.142 1.00 0.00 O ATOM 1809 CB LEU A 117 6.257 4.062 -8.085 1.00 0.00 C ATOM 1810 CG LEU A 117 7.510 4.875 -8.412 1.00 0.00 C ATOM 1811 CD1 LEU A 117 8.290 5.185 -7.144 1.00 0.00 C ATOM 1812 CD2 LEU A 117 8.383 4.130 -9.410 1.00 0.00 C ATOM 0 H LEU A 117 3.642 2.980 -8.163 1.00 0.00 H new ATOM 0 HA LEU A 117 5.035 5.303 -9.346 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.943 4.308 -7.070 1.00 0.00 H new ATOM 0 HB3 LEU A 117 6.523 3.005 -8.089 1.00 0.00 H new ATOM 0 HG LEU A 117 7.202 5.818 -8.864 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.178 5.764 -7.396 1.00 0.00 H new ATOM 0 HD12 LEU A 117 7.663 5.760 -6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.588 4.253 -6.663 1.00 0.00 H new ATOM 0 HD21 LEU A 117 9.270 4.723 -9.631 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.684 3.172 -8.986 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.822 3.960 -10.329 1.00 0.00 H new ATOM 1824 N ASP A 118 5.016 3.968 -11.427 1.00 0.00 N ATOM 1825 CA ASP A 118 5.133 3.234 -12.681 1.00 0.00 C ATOM 1826 C ASP A 118 6.580 2.831 -12.942 1.00 0.00 C ATOM 1827 O ASP A 118 7.464 3.090 -12.124 1.00 0.00 O ATOM 1828 CB ASP A 118 4.609 4.080 -13.843 1.00 0.00 C ATOM 1829 CG ASP A 118 4.868 3.437 -15.191 1.00 0.00 C ATOM 1830 OD1 ASP A 118 5.969 3.645 -15.745 1.00 0.00 O ATOM 1831 OD2 ASP A 118 3.972 2.727 -15.693 1.00 0.00 O ATOM 0 H ASP A 118 4.775 4.953 -11.536 1.00 0.00 H new ATOM 0 HA ASP A 118 4.531 2.329 -12.600 1.00 0.00 H new ATOM 0 HB2 ASP A 118 3.538 4.238 -13.719 1.00 0.00 H new ATOM 0 HB3 ASP A 118 5.081 5.062 -13.815 1.00 0.00 H new TER 1836 ASP A 118