USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 757 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 Single : A 8 SER OG : rot 180:sc= 0.0654 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc=-0.00511 X(o=-0.0051,f=-0.042) USER MOD Single : A 13 SER OG : rot 48:sc= 0.556 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -9.71! C(o=-9.7!,f=-26!) USER MOD Single : A 19 TYR OH : rot -70:sc= -2.18! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0283 USER MOD Single : A 23 TYR OH : rot 104:sc= 0.958 USER MOD Single : A 25 GLN : amide:sc= -0.0277 X(o=-0.028,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.0188 X(o=-0.019,f=0.092) USER MOD Single : A 31 THR OG1 : rot 120:sc= -0.214 USER MOD Single : A 44 LYS NZ :NH3+ 147:sc= -0.152 (180deg=-0.852) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -80:sc= 1.47! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 16:sc= 1.02 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.67! K(o=-1.7!,f=-0.72) USER MOD Single : A 82 CYS SG : rot -149:sc= -4.01! USER MOD Single : A 84 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.5!) USER MOD Single : A 85 ASN : amide:sc= -0.656 X(o=-0.66,f=-0.38) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 124:sc= 0.786 USER MOD Single : A 95 SER OG : rot -60:sc= 1.02 USER MOD Single : A 104 HIS : no HD1:sc= -0.312 X(o=-0.31,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 7 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA LEU A 7 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C LEU A 7 1.105 0.170 -2.417 1.00 0.00 C ATOM 4 O LEU A 7 -0.100 0.313 -2.216 1.00 0.00 O ATOM 5 CB LEU A 7 2.946 -1.253 -1.346 1.00 0.00 C ATOM 6 CG LEU A 7 4.360 -1.133 -0.774 1.00 0.00 C ATOM 7 CD1 LEU A 7 4.714 -2.358 0.072 1.00 0.00 C ATOM 8 CD2 LEU A 7 5.382 -0.888 -1.885 1.00 0.00 C ATOM 0 HA LEU A 7 2.762 0.844 -1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.436 -2.069 -0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.023 -1.534 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 7 4.390 -0.266 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.724 -2.248 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.009 -2.446 0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.662 -3.254 -0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.379 -0.807 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.360 -1.719 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.137 0.037 -2.407 1.00 0.00 H new ATOM 20 N SER A 8 1.668 0.150 -3.617 1.00 0.00 N ATOM 21 CA SER A 8 0.869 0.301 -4.821 1.00 0.00 C ATOM 22 C SER A 8 -0.481 -0.397 -4.644 1.00 0.00 C ATOM 23 O SER A 8 -0.582 -1.387 -3.922 1.00 0.00 O ATOM 24 CB SER A 8 1.601 -0.260 -6.041 1.00 0.00 C ATOM 25 OG SER A 8 2.817 -0.911 -5.682 1.00 0.00 O ATOM 0 H SER A 8 2.668 0.032 -3.781 1.00 0.00 H new ATOM 0 HA SER A 8 0.701 1.365 -4.989 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.952 -0.965 -6.560 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.816 0.549 -6.739 1.00 0.00 H new ATOM 0 HG SER A 8 3.253 -1.257 -6.488 1.00 0.00 H new ATOM 31 N LEU A 9 -1.485 0.146 -5.317 1.00 0.00 N ATOM 32 CA LEU A 9 -2.824 -0.412 -5.243 1.00 0.00 C ATOM 33 C LEU A 9 -2.786 -1.878 -5.682 1.00 0.00 C ATOM 34 O LEU A 9 -3.496 -2.714 -5.126 1.00 0.00 O ATOM 35 CB LEU A 9 -3.806 0.444 -6.045 1.00 0.00 C ATOM 36 CG LEU A 9 -3.712 1.955 -5.828 1.00 0.00 C ATOM 37 CD1 LEU A 9 -5.089 2.613 -5.941 1.00 0.00 C ATOM 38 CD2 LEU A 9 -3.032 2.275 -4.495 1.00 0.00 C ATOM 0 H LEU A 9 -1.398 0.967 -5.916 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.187 -0.395 -4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.654 0.239 -7.105 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.819 0.124 -5.801 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.089 2.375 -6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.993 3.687 -5.782 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.500 2.428 -6.933 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.756 2.193 -5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.977 3.356 -4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.608 1.840 -3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.025 1.858 -4.491 1.00 0.00 H new ATOM 50 N THR A 10 -1.949 -2.144 -6.674 1.00 0.00 N ATOM 51 CA THR A 10 -1.808 -3.494 -7.193 1.00 0.00 C ATOM 52 C THR A 10 -1.486 -4.470 -6.060 1.00 0.00 C ATOM 53 O THR A 10 -2.143 -5.500 -5.917 1.00 0.00 O ATOM 54 CB THR A 10 -0.747 -3.469 -8.294 1.00 0.00 C ATOM 55 OG1 THR A 10 -1.381 -2.787 -9.372 1.00 0.00 O ATOM 56 CG2 THR A 10 -0.452 -4.862 -8.855 1.00 0.00 C ATOM 0 H THR A 10 -1.361 -1.447 -7.132 1.00 0.00 H new ATOM 0 HA THR A 10 -2.741 -3.849 -7.630 1.00 0.00 H new ATOM 0 HB THR A 10 0.172 -3.034 -7.902 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.762 -2.725 -10.129 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.308 -4.788 -9.633 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.090 -5.507 -8.055 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.364 -5.285 -9.277 1.00 0.00 H new ATOM 64 N GLN A 11 -0.474 -4.112 -5.283 1.00 0.00 N ATOM 65 CA GLN A 11 -0.056 -4.943 -4.167 1.00 0.00 C ATOM 66 C GLN A 11 -1.020 -4.777 -2.991 1.00 0.00 C ATOM 67 O GLN A 11 -1.257 -5.721 -2.240 1.00 0.00 O ATOM 68 CB GLN A 11 1.380 -4.618 -3.749 1.00 0.00 C ATOM 69 CG GLN A 11 2.299 -5.822 -3.964 1.00 0.00 C ATOM 70 CD GLN A 11 3.358 -5.907 -2.863 1.00 0.00 C ATOM 71 OE1 GLN A 11 3.059 -6.009 -1.685 1.00 0.00 O ATOM 72 NE2 GLN A 11 4.609 -5.859 -3.311 1.00 0.00 N ATOM 0 H GLN A 11 0.069 -3.257 -5.405 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.080 -5.985 -4.486 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.747 -3.768 -4.325 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.399 -4.324 -2.700 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.708 -6.738 -3.976 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.786 -5.744 -4.936 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.790 -5.773 -4.311 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.388 -5.908 -2.654 1.00 0.00 H new ATOM 81 N LEU A 12 -1.551 -3.569 -2.868 1.00 0.00 N ATOM 82 CA LEU A 12 -2.484 -3.267 -1.796 1.00 0.00 C ATOM 83 C LEU A 12 -3.596 -4.318 -1.783 1.00 0.00 C ATOM 84 O LEU A 12 -3.956 -4.832 -0.726 1.00 0.00 O ATOM 85 CB LEU A 12 -2.997 -1.831 -1.921 1.00 0.00 C ATOM 86 CG LEU A 12 -3.036 -1.018 -0.625 1.00 0.00 C ATOM 87 CD1 LEU A 12 -4.058 -1.598 0.355 1.00 0.00 C ATOM 88 CD2 LEU A 12 -1.643 -0.909 -0.003 1.00 0.00 C ATOM 0 H LEU A 12 -1.353 -2.788 -3.493 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.983 -3.319 -0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.369 -1.303 -2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.003 -1.861 -2.339 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.360 -0.006 -0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.066 -1.002 1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.049 -1.579 -0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.788 -2.626 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.700 -0.326 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.266 -1.907 0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.969 -0.416 -0.704 1.00 0.00 H new ATOM 100 N SER A 13 -4.110 -4.605 -2.971 1.00 0.00 N ATOM 101 CA SER A 13 -5.173 -5.585 -3.109 1.00 0.00 C ATOM 102 C SER A 13 -5.407 -5.898 -4.588 1.00 0.00 C ATOM 103 O SER A 13 -6.523 -5.761 -5.087 1.00 0.00 O ATOM 104 CB SER A 13 -6.467 -5.088 -2.461 1.00 0.00 C ATOM 105 OG SER A 13 -6.650 -5.626 -1.154 1.00 0.00 O ATOM 0 H SER A 13 -3.809 -4.176 -3.846 1.00 0.00 H new ATOM 0 HA SER A 13 -4.867 -6.496 -2.595 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.450 -4.000 -2.406 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.315 -5.362 -3.088 1.00 0.00 H new ATOM 0 HG SER A 13 -5.823 -5.523 -0.639 1.00 0.00 H new ATOM 111 N SER A 14 -4.336 -6.312 -5.249 1.00 0.00 N ATOM 112 CA SER A 14 -4.410 -6.646 -6.661 1.00 0.00 C ATOM 113 C SER A 14 -4.865 -5.426 -7.464 1.00 0.00 C ATOM 114 O SER A 14 -5.236 -5.549 -8.630 1.00 0.00 O ATOM 115 CB SER A 14 -5.360 -7.822 -6.900 1.00 0.00 C ATOM 116 OG SER A 14 -4.696 -8.930 -7.503 1.00 0.00 O ATOM 0 H SER A 14 -3.412 -6.424 -4.832 1.00 0.00 H new ATOM 0 HA SER A 14 -3.416 -6.943 -6.994 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.797 -8.134 -5.951 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.182 -7.500 -7.539 1.00 0.00 H new ATOM 0 HG SER A 14 -5.335 -9.661 -7.638 1.00 0.00 H new ATOM 122 N GLY A 15 -4.821 -4.276 -6.808 1.00 0.00 N ATOM 123 CA GLY A 15 -5.224 -3.034 -7.446 1.00 0.00 C ATOM 124 C GLY A 15 -6.745 -2.870 -7.415 1.00 0.00 C ATOM 125 O GLY A 15 -7.349 -2.459 -8.404 1.00 0.00 O ATOM 0 H GLY A 15 -4.512 -4.178 -5.841 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.753 -2.191 -6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.874 -3.021 -8.478 1.00 0.00 H new ATOM 129 N ASN A 16 -7.321 -3.199 -6.267 1.00 0.00 N ATOM 130 CA ASN A 16 -8.759 -3.094 -6.094 1.00 0.00 C ATOM 131 C ASN A 16 -9.165 -1.619 -6.125 1.00 0.00 C ATOM 132 O ASN A 16 -8.629 -0.808 -5.372 1.00 0.00 O ATOM 133 CB ASN A 16 -9.197 -3.676 -4.749 1.00 0.00 C ATOM 134 CG ASN A 16 -10.716 -3.852 -4.695 1.00 0.00 C ATOM 135 OD1 ASN A 16 -11.479 -3.036 -5.185 1.00 0.00 O ATOM 136 ND2 ASN A 16 -11.110 -4.960 -4.074 1.00 0.00 N ATOM 0 H ASN A 16 -6.817 -3.538 -5.448 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.237 -3.651 -6.900 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.710 -4.638 -4.589 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.875 -3.018 -3.942 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.104 -5.169 -3.985 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -10.418 -5.601 -3.686 1.00 0.00 H new ATOM 143 N PRO A 17 -10.135 -1.308 -7.027 1.00 0.00 N ATOM 144 CA PRO A 17 -10.619 0.055 -7.166 1.00 0.00 C ATOM 145 C PRO A 17 -11.534 0.433 -6.000 1.00 0.00 C ATOM 146 O PRO A 17 -11.770 1.614 -5.748 1.00 0.00 O ATOM 147 CB PRO A 17 -11.326 0.086 -8.511 1.00 0.00 C ATOM 148 CG PRO A 17 -11.616 -1.364 -8.863 1.00 0.00 C ATOM 149 CD PRO A 17 -10.793 -2.243 -7.936 1.00 0.00 C ATOM 0 HA PRO A 17 -9.816 0.792 -7.136 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.247 0.666 -8.455 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -10.700 0.555 -9.270 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -12.678 -1.579 -8.749 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -11.360 -1.563 -9.904 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -11.424 -2.946 -7.392 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.065 -2.833 -8.493 1.00 0.00 H new ATOM 157 N VAL A 18 -12.027 -0.592 -5.320 1.00 0.00 N ATOM 158 CA VAL A 18 -12.911 -0.382 -4.186 1.00 0.00 C ATOM 159 C VAL A 18 -12.384 0.779 -3.341 1.00 0.00 C ATOM 160 O VAL A 18 -13.149 1.648 -2.927 1.00 0.00 O ATOM 161 CB VAL A 18 -13.061 -1.681 -3.392 1.00 0.00 C ATOM 162 CG1 VAL A 18 -11.745 -2.060 -2.708 1.00 0.00 C ATOM 163 CG2 VAL A 18 -14.197 -1.573 -2.373 1.00 0.00 C ATOM 0 H VAL A 18 -11.831 -1.570 -5.533 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.910 -0.108 -4.526 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.315 -2.475 -4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.879 -2.987 -2.150 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.970 -2.199 -3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.448 -1.265 -2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -14.282 -2.510 -1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.986 -0.761 -1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -15.134 -1.371 -2.892 1.00 0.00 H new ATOM 173 N TYR A 19 -11.079 0.755 -3.110 1.00 0.00 N ATOM 174 CA TYR A 19 -10.440 1.795 -2.321 1.00 0.00 C ATOM 175 C TYR A 19 -10.494 3.142 -3.044 1.00 0.00 C ATOM 176 O TYR A 19 -10.697 4.180 -2.415 1.00 0.00 O ATOM 177 CB TYR A 19 -8.979 1.370 -2.168 1.00 0.00 C ATOM 178 CG TYR A 19 -8.743 0.337 -1.064 1.00 0.00 C ATOM 179 CD1 TYR A 19 -9.158 0.599 0.226 1.00 0.00 C ATOM 180 CD2 TYR A 19 -8.116 -0.857 -1.358 1.00 0.00 C ATOM 181 CE1 TYR A 19 -8.936 -0.373 1.265 1.00 0.00 C ATOM 182 CE2 TYR A 19 -7.895 -1.829 -0.319 1.00 0.00 C ATOM 183 CZ TYR A 19 -8.316 -1.539 0.941 1.00 0.00 C ATOM 184 OH TYR A 19 -8.106 -2.457 1.923 1.00 0.00 O ATOM 0 H TYR A 19 -10.447 0.032 -3.455 1.00 0.00 H new ATOM 0 HA TYR A 19 -10.944 1.913 -1.362 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.630 0.960 -3.116 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -8.374 2.253 -1.960 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -9.649 1.533 0.456 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.791 -1.062 -2.367 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -9.255 -0.180 2.279 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.406 -2.767 -0.536 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.422 -2.124 2.541 1.00 0.00 H new ATOM 194 N GLU A 20 -10.309 3.083 -4.354 1.00 0.00 N ATOM 195 CA GLU A 20 -10.334 4.285 -5.169 1.00 0.00 C ATOM 196 C GLU A 20 -11.642 5.049 -4.949 1.00 0.00 C ATOM 197 O GLU A 20 -11.644 6.277 -4.883 1.00 0.00 O ATOM 198 CB GLU A 20 -10.139 3.949 -6.649 1.00 0.00 C ATOM 199 CG GLU A 20 -8.856 4.583 -7.190 1.00 0.00 C ATOM 200 CD GLU A 20 -9.172 5.786 -8.082 1.00 0.00 C ATOM 201 OE1 GLU A 20 -8.721 5.838 -9.235 1.00 0.00 O ATOM 202 OE2 GLU A 20 -9.917 6.687 -7.537 1.00 0.00 O ATOM 0 H GLU A 20 -10.141 2.220 -4.872 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.506 4.924 -4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.097 2.867 -6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.995 4.305 -7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.224 4.898 -6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.292 3.843 -7.758 1.00 0.00 H new ATOM 210 N LYS A 21 -12.722 4.290 -4.841 1.00 0.00 N ATOM 211 CA LYS A 21 -14.033 4.879 -4.629 1.00 0.00 C ATOM 212 C LYS A 21 -13.945 5.919 -3.510 1.00 0.00 C ATOM 213 O LYS A 21 -14.359 7.064 -3.687 1.00 0.00 O ATOM 214 CB LYS A 21 -15.076 3.789 -4.375 1.00 0.00 C ATOM 215 CG LYS A 21 -15.397 3.027 -5.663 1.00 0.00 C ATOM 216 CD LYS A 21 -16.798 3.371 -6.170 1.00 0.00 C ATOM 217 CE LYS A 21 -16.727 4.206 -7.450 1.00 0.00 C ATOM 218 NZ LYS A 21 -17.906 5.096 -7.555 1.00 0.00 N ATOM 0 H LYS A 21 -12.716 3.272 -4.896 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.365 5.402 -5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.706 3.095 -3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.986 4.237 -3.977 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.660 3.272 -6.428 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.325 1.954 -5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.355 2.454 -6.360 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.342 3.921 -5.402 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.814 4.801 -7.453 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.682 3.548 -8.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.842 5.655 -8.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.773 4.522 -7.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.932 5.736 -6.736 1.00 0.00 H new ATOM 229 N TYR A 22 -13.404 5.483 -2.382 1.00 0.00 N ATOM 230 CA TYR A 22 -13.257 6.361 -1.234 1.00 0.00 C ATOM 231 C TYR A 22 -12.234 7.464 -1.515 1.00 0.00 C ATOM 232 O TYR A 22 -12.528 8.646 -1.343 1.00 0.00 O ATOM 233 CB TYR A 22 -12.740 5.482 -0.094 1.00 0.00 C ATOM 234 CG TYR A 22 -13.672 4.326 0.273 1.00 0.00 C ATOM 235 CD1 TYR A 22 -14.701 4.527 1.170 1.00 0.00 C ATOM 236 CD2 TYR A 22 -13.485 3.081 -0.294 1.00 0.00 C ATOM 237 CE1 TYR A 22 -15.579 3.439 1.515 1.00 0.00 C ATOM 238 CE2 TYR A 22 -14.363 1.993 0.051 1.00 0.00 C ATOM 239 CZ TYR A 22 -15.367 2.226 0.938 1.00 0.00 C ATOM 240 OH TYR A 22 -16.196 1.198 1.264 1.00 0.00 O ATOM 0 H TYR A 22 -13.062 4.533 -2.239 1.00 0.00 H new ATOM 0 HA TYR A 22 -14.206 6.841 -0.994 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -11.768 5.076 -0.374 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -12.584 6.103 0.788 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -14.848 5.501 1.614 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -12.680 2.923 -0.996 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -16.388 3.583 2.216 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -14.227 1.014 -0.385 1.00 0.00 H new ATOM 0 HH TYR A 22 -15.926 0.393 0.775 1.00 0.00 H new ATOM 250 N TYR A 23 -11.055 7.039 -1.944 1.00 0.00 N ATOM 251 CA TYR A 23 -9.988 7.975 -2.251 1.00 0.00 C ATOM 252 C TYR A 23 -10.468 9.053 -3.225 1.00 0.00 C ATOM 253 O TYR A 23 -9.895 10.140 -3.284 1.00 0.00 O ATOM 254 CB TYR A 23 -8.885 7.153 -2.921 1.00 0.00 C ATOM 255 CG TYR A 23 -7.935 7.979 -3.791 1.00 0.00 C ATOM 256 CD1 TYR A 23 -7.025 8.832 -3.202 1.00 0.00 C ATOM 257 CD2 TYR A 23 -7.989 7.871 -5.166 1.00 0.00 C ATOM 258 CE1 TYR A 23 -6.131 9.609 -4.020 1.00 0.00 C ATOM 259 CE2 TYR A 23 -7.095 8.648 -5.985 1.00 0.00 C ATOM 260 CZ TYR A 23 -6.210 9.479 -5.372 1.00 0.00 C ATOM 261 OH TYR A 23 -5.366 10.213 -6.145 1.00 0.00 O ATOM 0 H TYR A 23 -10.815 6.058 -2.086 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.644 8.476 -1.346 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.306 6.644 -2.150 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.345 6.380 -3.536 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.983 8.917 -2.126 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.702 7.204 -5.628 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.414 10.280 -3.571 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.127 8.573 -7.062 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.648 9.638 -6.483 1.00 0.00 H new ATOM 271 N ARG A 24 -11.514 8.715 -3.964 1.00 0.00 N ATOM 272 CA ARG A 24 -12.077 9.640 -4.932 1.00 0.00 C ATOM 273 C ARG A 24 -13.074 10.580 -4.251 1.00 0.00 C ATOM 274 O ARG A 24 -13.320 11.684 -4.732 1.00 0.00 O ATOM 275 CB ARG A 24 -12.784 8.891 -6.063 1.00 0.00 C ATOM 276 CG ARG A 24 -13.251 9.858 -7.153 1.00 0.00 C ATOM 277 CD ARG A 24 -14.679 10.338 -6.885 1.00 0.00 C ATOM 278 NE ARG A 24 -15.564 9.944 -8.004 1.00 0.00 N ATOM 279 CZ ARG A 24 -15.465 10.436 -9.257 1.00 0.00 C ATOM 280 NH1 ARG A 24 -14.517 11.347 -9.563 1.00 0.00 N ATOM 281 NH2 ARG A 24 -16.310 10.012 -10.179 1.00 0.00 N ATOM 0 H ARG A 24 -11.987 7.813 -3.912 1.00 0.00 H new ATOM 0 HA ARG A 24 -11.255 10.219 -5.353 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.108 8.152 -6.493 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.640 8.346 -5.664 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.578 10.714 -7.197 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -13.205 9.366 -8.125 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -15.046 9.910 -5.952 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -14.691 11.421 -6.765 1.00 0.00 H new ATOM 0 HE ARG A 24 -16.295 9.257 -7.816 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.868 11.669 -8.845 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.449 11.713 -10.513 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -17.023 9.323 -9.939 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.250 10.373 -11.131 1.00 0.00 H new ATOM 294 N GLN A 25 -13.621 10.106 -3.140 1.00 0.00 N ATOM 295 CA GLN A 25 -14.585 10.890 -2.388 1.00 0.00 C ATOM 296 C GLN A 25 -13.927 12.159 -1.841 1.00 0.00 C ATOM 297 O GLN A 25 -14.542 13.224 -1.826 1.00 0.00 O ATOM 298 CB GLN A 25 -15.203 10.063 -1.259 1.00 0.00 C ATOM 299 CG GLN A 25 -16.177 9.021 -1.812 1.00 0.00 C ATOM 300 CD GLN A 25 -17.185 8.591 -0.745 1.00 0.00 C ATOM 301 OE1 GLN A 25 -18.389 8.683 -0.918 1.00 0.00 O ATOM 302 NE2 GLN A 25 -16.627 8.118 0.367 1.00 0.00 N ATOM 0 H GLN A 25 -13.414 9.189 -2.744 1.00 0.00 H new ATOM 0 HA GLN A 25 -15.390 11.183 -3.062 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -14.415 9.565 -0.694 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -15.725 10.722 -0.565 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -16.706 9.433 -2.672 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -15.623 8.151 -2.165 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.611 8.068 0.447 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -17.215 7.805 1.140 1.00 0.00 H new ATOM 311 N VAL A 26 -12.686 12.003 -1.406 1.00 0.00 N ATOM 312 CA VAL A 26 -11.938 13.122 -0.860 1.00 0.00 C ATOM 313 C VAL A 26 -11.649 14.130 -1.975 1.00 0.00 C ATOM 314 O VAL A 26 -11.628 15.336 -1.736 1.00 0.00 O ATOM 315 CB VAL A 26 -10.670 12.617 -0.168 1.00 0.00 C ATOM 316 CG1 VAL A 26 -10.919 11.273 0.518 1.00 0.00 C ATOM 317 CG2 VAL A 26 -9.507 12.521 -1.157 1.00 0.00 C ATOM 0 H VAL A 26 -12.179 11.118 -1.421 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.524 13.637 -0.099 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.397 13.340 0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.002 10.936 1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.704 11.386 1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.229 10.537 -0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.618 12.160 -0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.767 11.829 -1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.306 13.506 -1.579 1.00 0.00 H new ATOM 327 N GLU A 27 -11.435 13.597 -3.169 1.00 0.00 N ATOM 328 CA GLU A 27 -11.149 14.434 -4.322 1.00 0.00 C ATOM 329 C GLU A 27 -12.006 15.701 -4.283 1.00 0.00 C ATOM 330 O GLU A 27 -13.142 15.672 -3.813 1.00 0.00 O ATOM 331 CB GLU A 27 -11.366 13.665 -5.626 1.00 0.00 C ATOM 332 CG GLU A 27 -10.879 14.475 -6.829 1.00 0.00 C ATOM 333 CD GLU A 27 -12.047 14.870 -7.734 1.00 0.00 C ATOM 334 OE1 GLU A 27 -13.214 14.729 -7.338 1.00 0.00 O ATOM 335 OE2 GLU A 27 -11.709 15.339 -8.887 1.00 0.00 O ATOM 0 H GLU A 27 -11.454 12.596 -3.363 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.100 14.727 -4.283 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.834 12.714 -5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.425 13.433 -5.744 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.363 15.371 -6.484 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.156 13.890 -7.397 1.00 0.00 H new ATOM 343 N ALA A 28 -11.429 16.783 -4.784 1.00 0.00 N ATOM 344 CA ALA A 28 -12.126 18.058 -4.813 1.00 0.00 C ATOM 345 C ALA A 28 -11.865 18.747 -6.154 1.00 0.00 C ATOM 346 O ALA A 28 -11.005 18.315 -6.921 1.00 0.00 O ATOM 347 CB ALA A 28 -11.680 18.911 -3.624 1.00 0.00 C ATOM 0 H ALA A 28 -10.486 16.803 -5.173 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.202 17.909 -4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -12.203 19.867 -3.646 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -11.914 18.391 -2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.605 19.084 -3.683 1.00 0.00 H new ATOM 353 N GLY A 29 -12.623 19.806 -6.397 1.00 0.00 N ATOM 354 CA GLY A 29 -12.485 20.558 -7.632 1.00 0.00 C ATOM 355 C GLY A 29 -12.737 19.665 -8.849 1.00 0.00 C ATOM 356 O GLY A 29 -13.242 18.552 -8.713 1.00 0.00 O ATOM 0 H GLY A 29 -13.335 20.161 -5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.188 21.391 -7.636 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.484 20.986 -7.691 1.00 0.00 H new ATOM 360 N ASN A 30 -12.374 20.187 -10.011 1.00 0.00 N ATOM 361 CA ASN A 30 -12.554 19.452 -11.251 1.00 0.00 C ATOM 362 C ASN A 30 -11.186 19.166 -11.873 1.00 0.00 C ATOM 363 O ASN A 30 -10.984 19.385 -13.067 1.00 0.00 O ATOM 364 CB ASN A 30 -13.371 20.262 -12.259 1.00 0.00 C ATOM 365 CG ASN A 30 -14.260 19.349 -13.106 1.00 0.00 C ATOM 366 OD1 ASN A 30 -13.796 18.472 -13.816 1.00 0.00 O ATOM 367 ND2 ASN A 30 -15.561 19.602 -12.991 1.00 0.00 N ATOM 0 H ASN A 30 -11.956 21.111 -10.120 1.00 0.00 H new ATOM 0 HA ASN A 30 -13.082 18.527 -11.020 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.989 20.989 -11.731 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.700 20.825 -12.907 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.237 19.046 -13.515 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.883 20.351 -12.378 1.00 0.00 H new ATOM 374 N THR A 31 -10.280 18.681 -11.036 1.00 0.00 N ATOM 375 CA THR A 31 -8.937 18.363 -11.489 1.00 0.00 C ATOM 376 C THR A 31 -8.788 16.855 -11.701 1.00 0.00 C ATOM 377 O THR A 31 -8.006 16.417 -12.542 1.00 0.00 O ATOM 378 CB THR A 31 -7.947 18.934 -10.471 1.00 0.00 C ATOM 379 OG1 THR A 31 -6.772 18.149 -10.652 1.00 0.00 O ATOM 380 CG2 THR A 31 -8.365 18.652 -9.027 1.00 0.00 C ATOM 0 H THR A 31 -10.450 18.501 -10.047 1.00 0.00 H new ATOM 0 HA THR A 31 -8.729 18.818 -12.458 1.00 0.00 H new ATOM 0 HB THR A 31 -7.854 20.010 -10.618 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.027 18.730 -10.911 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.629 19.078 -8.345 1.00 0.00 H new ATOM 0 HG22 THR A 31 -9.339 19.101 -8.836 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.425 17.575 -8.869 1.00 0.00 H new ATOM 388 N GLY A 32 -9.552 16.102 -10.922 1.00 0.00 N ATOM 389 CA GLY A 32 -9.515 14.653 -11.014 1.00 0.00 C ATOM 390 C GLY A 32 -8.454 14.071 -10.078 1.00 0.00 C ATOM 391 O GLY A 32 -8.276 12.855 -10.015 1.00 0.00 O ATOM 0 H GLY A 32 -10.200 16.469 -10.225 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.493 14.244 -10.760 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.302 14.356 -12.041 1.00 0.00 H new ATOM 395 N ARG A 33 -7.776 14.966 -9.375 1.00 0.00 N ATOM 396 CA ARG A 33 -6.737 14.557 -8.445 1.00 0.00 C ATOM 397 C ARG A 33 -7.124 14.937 -7.015 1.00 0.00 C ATOM 398 O ARG A 33 -7.955 15.819 -6.807 1.00 0.00 O ATOM 399 CB ARG A 33 -5.398 15.210 -8.794 1.00 0.00 C ATOM 400 CG ARG A 33 -5.355 16.662 -8.315 1.00 0.00 C ATOM 401 CD ARG A 33 -4.259 17.446 -9.040 1.00 0.00 C ATOM 402 NE ARG A 33 -4.255 18.853 -8.580 1.00 0.00 N ATOM 403 CZ ARG A 33 -3.236 19.714 -8.787 1.00 0.00 C ATOM 404 NH1 ARG A 33 -2.128 19.318 -9.449 1.00 0.00 N ATOM 405 NH2 ARG A 33 -3.339 20.949 -8.333 1.00 0.00 N ATOM 0 H ARG A 33 -7.926 15.973 -9.431 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.632 13.475 -8.521 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.585 14.648 -8.335 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.242 15.174 -9.872 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.321 17.135 -8.489 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.176 16.689 -7.240 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.288 16.990 -8.850 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.424 17.407 -10.117 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.073 19.193 -8.075 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.056 18.362 -9.797 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.363 19.975 -9.601 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.180 21.241 -7.834 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.578 21.612 -8.481 1.00 0.00 H new ATOM 418 N VAL A 34 -6.504 14.251 -6.066 1.00 0.00 N ATOM 419 CA VAL A 34 -6.773 14.506 -4.661 1.00 0.00 C ATOM 420 C VAL A 34 -5.895 15.662 -4.179 1.00 0.00 C ATOM 421 O VAL A 34 -4.672 15.543 -4.139 1.00 0.00 O ATOM 422 CB VAL A 34 -6.573 13.225 -3.849 1.00 0.00 C ATOM 423 CG1 VAL A 34 -6.661 13.507 -2.348 1.00 0.00 C ATOM 424 CG2 VAL A 34 -7.579 12.149 -4.265 1.00 0.00 C ATOM 0 H VAL A 34 -5.816 13.519 -6.243 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.811 14.806 -4.520 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.572 12.848 -4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.515 12.579 -1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.889 14.223 -2.066 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.642 13.920 -2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.415 11.249 -3.672 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.592 12.514 -4.097 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.447 11.917 -5.322 1.00 0.00 H new ATOM 434 N LEU A 35 -6.554 16.756 -3.825 1.00 0.00 N ATOM 435 CA LEU A 35 -5.849 17.933 -3.347 1.00 0.00 C ATOM 436 C LEU A 35 -5.125 17.594 -2.042 1.00 0.00 C ATOM 437 O LEU A 35 -4.295 18.369 -1.569 1.00 0.00 O ATOM 438 CB LEU A 35 -6.806 19.120 -3.228 1.00 0.00 C ATOM 439 CG LEU A 35 -6.587 20.261 -4.224 1.00 0.00 C ATOM 440 CD1 LEU A 35 -7.731 21.275 -4.156 1.00 0.00 C ATOM 441 CD2 LEU A 35 -5.223 20.920 -4.011 1.00 0.00 C ATOM 0 H LEU A 35 -7.569 16.852 -3.860 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.088 18.238 -4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.825 18.752 -3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.727 19.525 -2.219 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.588 19.842 -5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.551 22.075 -4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.672 20.779 -4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.786 21.694 -3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.093 21.727 -4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.168 21.323 -3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.435 20.179 -4.150 1.00 0.00 H new ATOM 453 N ALA A 36 -5.465 16.435 -1.498 1.00 0.00 N ATOM 454 CA ALA A 36 -4.858 15.983 -0.258 1.00 0.00 C ATOM 455 C ALA A 36 -5.620 16.583 0.926 1.00 0.00 C ATOM 456 O ALA A 36 -6.064 15.858 1.814 1.00 0.00 O ATOM 457 CB ALA A 36 -3.375 16.361 -0.248 1.00 0.00 C ATOM 0 H ALA A 36 -6.154 15.795 -1.894 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.919 14.898 -0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.919 16.022 0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.873 15.887 -1.092 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.275 17.443 -0.328 1.00 0.00 H new ATOM 463 N LEU A 37 -5.748 17.902 0.899 1.00 0.00 N ATOM 464 CA LEU A 37 -6.448 18.607 1.958 1.00 0.00 C ATOM 465 C LEU A 37 -7.689 17.809 2.363 1.00 0.00 C ATOM 466 O LEU A 37 -7.839 17.435 3.526 1.00 0.00 O ATOM 467 CB LEU A 37 -6.754 20.045 1.534 1.00 0.00 C ATOM 468 CG LEU A 37 -5.702 21.092 1.905 1.00 0.00 C ATOM 469 CD1 LEU A 37 -5.828 21.499 3.374 1.00 0.00 C ATOM 470 CD2 LEU A 37 -4.294 20.599 1.565 1.00 0.00 C ATOM 0 H LEU A 37 -5.378 18.500 0.160 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.817 18.687 2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.890 20.063 0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.704 20.340 1.980 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.883 21.985 1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.069 22.244 3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.818 21.920 3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.688 20.623 4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.565 21.362 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.086 19.683 2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.227 20.400 0.495 1.00 0.00 H new ATOM 482 N ASP A 38 -8.546 17.570 1.382 1.00 0.00 N ATOM 483 CA ASP A 38 -9.769 16.822 1.621 1.00 0.00 C ATOM 484 C ASP A 38 -9.417 15.446 2.189 1.00 0.00 C ATOM 485 O ASP A 38 -10.099 14.946 3.083 1.00 0.00 O ATOM 486 CB ASP A 38 -10.549 16.612 0.322 1.00 0.00 C ATOM 487 CG ASP A 38 -11.698 17.596 0.092 1.00 0.00 C ATOM 488 OD1 ASP A 38 -11.478 18.803 -0.091 1.00 0.00 O ATOM 489 OD2 ASP A 38 -12.876 17.072 0.105 1.00 0.00 O ATOM 0 H ASP A 38 -8.418 17.881 0.419 1.00 0.00 H new ATOM 0 HA ASP A 38 -10.381 17.391 2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -9.856 16.684 -0.516 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -10.951 15.599 0.317 1.00 0.00 H new ATOM 495 N ALA A 39 -8.353 14.872 1.648 1.00 0.00 N ATOM 496 CA ALA A 39 -7.902 13.563 2.089 1.00 0.00 C ATOM 497 C ALA A 39 -7.830 13.542 3.617 1.00 0.00 C ATOM 498 O ALA A 39 -8.409 12.666 4.258 1.00 0.00 O ATOM 499 CB ALA A 39 -6.556 13.240 1.438 1.00 0.00 C ATOM 0 H ALA A 39 -7.789 15.290 0.908 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.607 12.791 1.781 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.218 12.258 1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.667 13.239 0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.822 13.993 1.727 1.00 0.00 H new ATOM 505 N ALA A 40 -7.115 14.517 4.158 1.00 0.00 N ATOM 506 CA ALA A 40 -6.960 14.622 5.599 1.00 0.00 C ATOM 507 C ALA A 40 -8.340 14.718 6.250 1.00 0.00 C ATOM 508 O ALA A 40 -8.506 14.367 7.417 1.00 0.00 O ATOM 509 CB ALA A 40 -6.073 15.824 5.931 1.00 0.00 C ATOM 0 H ALA A 40 -6.636 15.242 3.624 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.469 13.735 5.998 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.957 15.903 7.012 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.094 15.693 5.469 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.535 16.734 5.549 1.00 0.00 H new ATOM 515 N ALA A 41 -9.297 15.196 5.468 1.00 0.00 N ATOM 516 CA ALA A 41 -10.658 15.342 5.954 1.00 0.00 C ATOM 517 C ALA A 41 -11.292 13.958 6.107 1.00 0.00 C ATOM 518 O ALA A 41 -11.771 13.607 7.184 1.00 0.00 O ATOM 519 CB ALA A 41 -11.447 16.243 5.001 1.00 0.00 C ATOM 0 H ALA A 41 -9.156 15.487 4.501 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.666 15.818 6.934 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.468 16.352 5.366 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.973 17.223 4.951 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.463 15.796 4.007 1.00 0.00 H new ATOM 525 N PHE A 42 -11.275 13.210 5.014 1.00 0.00 N ATOM 526 CA PHE A 42 -11.842 11.873 5.014 1.00 0.00 C ATOM 527 C PHE A 42 -11.216 11.011 6.112 1.00 0.00 C ATOM 528 O PHE A 42 -11.863 10.110 6.644 1.00 0.00 O ATOM 529 CB PHE A 42 -11.524 11.252 3.652 1.00 0.00 C ATOM 530 CG PHE A 42 -12.080 9.839 3.466 1.00 0.00 C ATOM 531 CD1 PHE A 42 -11.378 8.767 3.921 1.00 0.00 C ATOM 532 CD2 PHE A 42 -13.276 9.655 2.847 1.00 0.00 C ATOM 533 CE1 PHE A 42 -11.894 7.455 3.750 1.00 0.00 C ATOM 534 CE2 PHE A 42 -13.792 8.343 2.675 1.00 0.00 C ATOM 535 CZ PHE A 42 -13.090 7.271 3.130 1.00 0.00 C ATOM 0 H PHE A 42 -10.877 13.505 4.122 1.00 0.00 H new ATOM 0 HA PHE A 42 -12.915 11.925 5.198 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -11.925 11.895 2.869 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.442 11.226 3.520 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.428 8.913 4.413 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -13.834 10.506 2.486 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.337 6.604 4.112 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -14.742 8.197 2.183 1.00 0.00 H new ATOM 0 HZ PHE A 42 -13.482 6.273 2.999 1.00 0.00 H new ATOM 545 N LEU A 43 -9.965 11.319 6.420 1.00 0.00 N ATOM 546 CA LEU A 43 -9.244 10.584 7.446 1.00 0.00 C ATOM 547 C LEU A 43 -9.867 10.879 8.811 1.00 0.00 C ATOM 548 O LEU A 43 -10.142 9.961 9.583 1.00 0.00 O ATOM 549 CB LEU A 43 -7.747 10.892 7.374 1.00 0.00 C ATOM 550 CG LEU A 43 -6.998 10.303 6.176 1.00 0.00 C ATOM 551 CD1 LEU A 43 -5.583 10.876 6.079 1.00 0.00 C ATOM 552 CD2 LEU A 43 -6.995 8.774 6.230 1.00 0.00 C ATOM 0 H LEU A 43 -9.432 12.067 5.977 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.333 9.511 7.279 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.619 11.974 7.361 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.277 10.527 8.287 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.525 10.592 5.267 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.073 10.441 5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.636 11.958 5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.031 10.637 6.988 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.457 8.381 5.368 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.505 8.443 7.146 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.021 8.407 6.215 1.00 0.00 H new ATOM 564 N LYS A 44 -10.072 12.162 9.068 1.00 0.00 N ATOM 565 CA LYS A 44 -10.658 12.590 10.327 1.00 0.00 C ATOM 566 C LYS A 44 -11.984 11.857 10.542 1.00 0.00 C ATOM 567 O LYS A 44 -12.474 11.771 11.667 1.00 0.00 O ATOM 568 CB LYS A 44 -10.784 14.114 10.370 1.00 0.00 C ATOM 569 CG LYS A 44 -9.405 14.777 10.412 1.00 0.00 C ATOM 570 CD LYS A 44 -9.052 15.217 11.834 1.00 0.00 C ATOM 571 CE LYS A 44 -8.249 16.519 11.820 1.00 0.00 C ATOM 572 NZ LYS A 44 -9.059 17.622 11.257 1.00 0.00 N ATOM 0 H LYS A 44 -9.843 12.920 8.425 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.007 12.324 11.160 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.332 14.462 9.495 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.361 14.410 11.246 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.651 14.080 10.045 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.392 15.640 9.746 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.965 15.355 12.413 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.476 14.435 12.328 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.936 16.771 12.833 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.342 16.388 11.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.800 18.515 11.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.878 17.699 10.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.068 17.428 11.416 1.00 0.00 H new ATOM 583 N LYS A 45 -12.527 11.349 9.446 1.00 0.00 N ATOM 584 CA LYS A 45 -13.787 10.627 9.500 1.00 0.00 C ATOM 585 C LYS A 45 -13.536 9.210 10.021 1.00 0.00 C ATOM 586 O LYS A 45 -14.464 8.410 10.125 1.00 0.00 O ATOM 587 CB LYS A 45 -14.487 10.667 8.140 1.00 0.00 C ATOM 588 CG LYS A 45 -14.477 12.082 7.560 1.00 0.00 C ATOM 589 CD LYS A 45 -15.626 12.277 6.569 1.00 0.00 C ATOM 590 CE LYS A 45 -15.783 13.752 6.194 1.00 0.00 C ATOM 591 NZ LYS A 45 -16.914 14.357 6.932 1.00 0.00 N ATOM 0 H LYS A 45 -12.118 11.423 8.515 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.472 11.108 10.199 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.990 9.984 7.451 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.515 10.321 8.246 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.561 12.810 8.367 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.526 12.267 7.061 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.440 11.688 5.671 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.554 11.908 7.006 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.863 14.291 6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.950 13.845 5.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.006 15.358 6.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.792 13.853 6.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.739 14.286 7.955 1.00 0.00 H new ATOM 602 N SER A 46 -12.277 8.944 10.335 1.00 0.00 N ATOM 603 CA SER A 46 -11.892 7.639 10.843 1.00 0.00 C ATOM 604 C SER A 46 -12.339 7.490 12.299 1.00 0.00 C ATOM 605 O SER A 46 -13.350 6.849 12.579 1.00 0.00 O ATOM 606 CB SER A 46 -10.381 7.426 10.727 1.00 0.00 C ATOM 607 OG SER A 46 -9.650 8.326 11.556 1.00 0.00 O ATOM 0 H SER A 46 -11.510 9.611 10.247 1.00 0.00 H new ATOM 0 HA SER A 46 -12.386 6.878 10.239 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.137 6.400 11.003 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.075 7.559 9.689 1.00 0.00 H new ATOM 0 HG SER A 46 -9.590 9.200 11.117 1.00 0.00 H new ATOM 613 N GLY A 47 -11.563 8.095 13.187 1.00 0.00 N ATOM 614 CA GLY A 47 -11.867 8.039 14.607 1.00 0.00 C ATOM 615 C GLY A 47 -10.656 8.458 15.443 1.00 0.00 C ATOM 616 O GLY A 47 -10.810 8.954 16.558 1.00 0.00 O ATOM 0 H GLY A 47 -10.725 8.626 12.951 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.710 8.693 14.828 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.169 7.027 14.879 1.00 0.00 H new ATOM 620 N LEU A 48 -9.480 8.245 14.872 1.00 0.00 N ATOM 621 CA LEU A 48 -8.244 8.595 15.551 1.00 0.00 C ATOM 622 C LEU A 48 -8.104 10.118 15.594 1.00 0.00 C ATOM 623 O LEU A 48 -8.773 10.827 14.844 1.00 0.00 O ATOM 624 CB LEU A 48 -7.055 7.886 14.899 1.00 0.00 C ATOM 625 CG LEU A 48 -6.782 6.458 15.375 1.00 0.00 C ATOM 626 CD1 LEU A 48 -5.944 5.690 14.352 1.00 0.00 C ATOM 627 CD2 LEU A 48 -6.137 6.456 16.762 1.00 0.00 C ATOM 0 H LEU A 48 -9.357 7.834 13.947 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.265 8.247 16.584 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.217 7.864 13.821 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.160 8.484 15.074 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.737 5.939 15.464 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.764 4.678 14.715 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.479 5.646 13.403 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.991 6.198 14.208 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.954 5.429 17.077 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.192 6.998 16.725 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.805 6.940 17.475 1.00 0.00 H new ATOM 639 N PRO A 49 -7.207 10.588 16.502 1.00 0.00 N ATOM 640 CA PRO A 49 -6.971 12.014 16.652 1.00 0.00 C ATOM 641 C PRO A 49 -6.133 12.555 15.492 1.00 0.00 C ATOM 642 O PRO A 49 -5.689 11.794 14.634 1.00 0.00 O ATOM 643 CB PRO A 49 -6.284 12.159 18.000 1.00 0.00 C ATOM 644 CG PRO A 49 -5.744 10.780 18.343 1.00 0.00 C ATOM 645 CD PRO A 49 -6.397 9.777 17.406 1.00 0.00 C ATOM 0 HA PRO A 49 -7.891 12.599 16.624 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.479 12.893 17.951 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.985 12.504 18.760 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.660 10.756 18.232 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.964 10.531 19.381 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.650 9.201 16.860 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.011 9.063 17.955 1.00 0.00 H new ATOM 653 N ASP A 50 -5.942 13.866 15.504 1.00 0.00 N ATOM 654 CA ASP A 50 -5.165 14.519 14.464 1.00 0.00 C ATOM 655 C ASP A 50 -3.674 14.323 14.748 1.00 0.00 C ATOM 656 O ASP A 50 -2.864 14.270 13.824 1.00 0.00 O ATOM 657 CB ASP A 50 -5.446 16.023 14.428 1.00 0.00 C ATOM 658 CG ASP A 50 -5.137 16.769 15.727 1.00 0.00 C ATOM 659 OD1 ASP A 50 -4.282 17.667 15.759 1.00 0.00 O ATOM 660 OD2 ASP A 50 -5.825 16.391 16.750 1.00 0.00 O ATOM 0 H ASP A 50 -6.312 14.494 16.218 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.444 14.077 13.507 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.861 16.468 13.623 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.496 16.175 14.180 1.00 0.00 H new ATOM 666 N LEU A 51 -3.358 14.221 16.031 1.00 0.00 N ATOM 667 CA LEU A 51 -1.979 14.033 16.448 1.00 0.00 C ATOM 668 C LEU A 51 -1.440 12.735 15.842 1.00 0.00 C ATOM 669 O LEU A 51 -0.515 12.762 15.032 1.00 0.00 O ATOM 670 CB LEU A 51 -1.868 14.091 17.973 1.00 0.00 C ATOM 671 CG LEU A 51 -0.966 13.039 18.621 1.00 0.00 C ATOM 672 CD1 LEU A 51 0.466 13.143 18.091 1.00 0.00 C ATOM 673 CD2 LEU A 51 -1.021 13.134 20.147 1.00 0.00 C ATOM 0 H LEU A 51 -4.033 14.265 16.795 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.354 14.844 16.074 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.500 15.078 18.253 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.868 13.992 18.394 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.340 12.053 18.347 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.086 12.384 18.568 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.467 12.987 17.012 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.866 14.132 18.315 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.371 12.375 20.582 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.687 14.122 20.462 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.045 12.972 20.485 1.00 0.00 H new ATOM 685 N ILE A 52 -2.042 11.631 16.258 1.00 0.00 N ATOM 686 CA ILE A 52 -1.634 10.326 15.766 1.00 0.00 C ATOM 687 C ILE A 52 -1.730 10.308 14.239 1.00 0.00 C ATOM 688 O ILE A 52 -0.916 9.674 13.570 1.00 0.00 O ATOM 689 CB ILE A 52 -2.443 9.220 16.446 1.00 0.00 C ATOM 690 CG1 ILE A 52 -2.184 9.199 17.954 1.00 0.00 C ATOM 691 CG2 ILE A 52 -2.168 7.861 15.799 1.00 0.00 C ATOM 692 CD1 ILE A 52 -2.302 7.779 18.511 1.00 0.00 C ATOM 0 H ILE A 52 -2.809 11.613 16.930 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.593 10.131 16.022 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.502 9.436 16.304 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.189 9.593 18.161 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.897 9.852 18.458 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.756 7.093 16.302 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.444 7.897 14.745 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.108 7.623 15.889 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.113 7.792 19.584 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.306 7.397 18.324 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.571 7.135 18.022 1.00 0.00 H new ATOM 704 N LEU A 53 -2.733 11.011 13.733 1.00 0.00 N ATOM 705 CA LEU A 53 -2.946 11.084 12.298 1.00 0.00 C ATOM 706 C LEU A 53 -1.738 11.753 11.640 1.00 0.00 C ATOM 707 O LEU A 53 -1.184 11.232 10.674 1.00 0.00 O ATOM 708 CB LEU A 53 -4.276 11.775 11.988 1.00 0.00 C ATOM 709 CG LEU A 53 -5.484 10.854 11.806 1.00 0.00 C ATOM 710 CD1 LEU A 53 -6.793 11.638 11.918 1.00 0.00 C ATOM 711 CD2 LEU A 53 -5.390 10.082 10.488 1.00 0.00 C ATOM 0 H LEU A 53 -3.407 11.535 14.292 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.026 10.083 11.874 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.496 12.475 12.794 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.153 12.364 11.079 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.478 10.120 12.611 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.636 10.960 11.785 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.855 12.105 12.901 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.822 12.409 11.148 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.261 9.435 10.383 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.358 10.785 9.656 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.484 9.475 10.485 1.00 0.00 H new ATOM 723 N GLY A 54 -1.363 12.899 12.191 1.00 0.00 N ATOM 724 CA GLY A 54 -0.231 13.645 11.670 1.00 0.00 C ATOM 725 C GLY A 54 0.924 12.708 11.311 1.00 0.00 C ATOM 726 O GLY A 54 1.535 12.847 10.252 1.00 0.00 O ATOM 0 H GLY A 54 -1.824 13.328 12.993 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.536 14.207 10.787 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.102 14.372 12.411 1.00 0.00 H new ATOM 730 N LYS A 55 1.189 11.774 12.213 1.00 0.00 N ATOM 731 CA LYS A 55 2.260 10.815 12.004 1.00 0.00 C ATOM 732 C LYS A 55 1.958 9.983 10.756 1.00 0.00 C ATOM 733 O LYS A 55 2.848 9.724 9.948 1.00 0.00 O ATOM 734 CB LYS A 55 2.480 9.975 13.264 1.00 0.00 C ATOM 735 CG LYS A 55 3.396 10.699 14.253 1.00 0.00 C ATOM 736 CD LYS A 55 4.433 9.741 14.842 1.00 0.00 C ATOM 737 CE LYS A 55 4.241 9.587 16.352 1.00 0.00 C ATOM 738 NZ LYS A 55 5.483 9.090 16.985 1.00 0.00 N ATOM 0 H LYS A 55 0.680 11.661 13.090 1.00 0.00 H new ATOM 0 HA LYS A 55 3.203 11.331 11.823 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.521 9.765 13.738 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.918 9.015 12.993 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.902 11.523 13.750 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.800 11.133 15.055 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.349 8.767 14.360 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.436 10.113 14.635 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.962 10.546 16.789 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.422 8.896 16.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.335 8.991 18.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.733 8.165 16.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.255 9.764 16.810 1.00 0.00 H new ATOM 749 N ILE A 56 0.699 9.587 10.638 1.00 0.00 N ATOM 750 CA ILE A 56 0.269 8.791 9.502 1.00 0.00 C ATOM 751 C ILE A 56 0.585 9.543 8.207 1.00 0.00 C ATOM 752 O ILE A 56 1.300 9.031 7.347 1.00 0.00 O ATOM 753 CB ILE A 56 -1.205 8.406 9.645 1.00 0.00 C ATOM 754 CG1 ILE A 56 -1.426 7.529 10.879 1.00 0.00 C ATOM 755 CG2 ILE A 56 -1.725 7.740 8.369 1.00 0.00 C ATOM 756 CD1 ILE A 56 -2.867 7.018 10.938 1.00 0.00 C ATOM 0 H ILE A 56 -0.037 9.803 11.311 1.00 0.00 H new ATOM 0 HA ILE A 56 0.819 7.851 9.467 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.783 9.319 9.791 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.738 6.684 10.857 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.202 8.100 11.780 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.775 7.477 8.498 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.624 8.430 7.531 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.147 6.838 8.168 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.997 6.397 11.825 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.552 7.865 10.984 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.080 6.427 10.047 1.00 0.00 H new ATOM 768 N TRP A 57 0.037 10.745 8.110 1.00 0.00 N ATOM 769 CA TRP A 57 0.252 11.572 6.935 1.00 0.00 C ATOM 770 C TRP A 57 1.761 11.734 6.740 1.00 0.00 C ATOM 771 O TRP A 57 2.284 11.454 5.663 1.00 0.00 O ATOM 772 CB TRP A 57 -0.481 12.909 7.065 1.00 0.00 C ATOM 773 CG TRP A 57 -0.461 13.756 5.791 1.00 0.00 C ATOM 774 CD1 TRP A 57 0.545 14.497 5.308 1.00 0.00 C ATOM 775 CD2 TRP A 57 -1.544 13.919 4.850 1.00 0.00 C ATOM 776 NE1 TRP A 57 0.192 15.123 4.130 1.00 0.00 N ATOM 777 CE2 TRP A 57 -1.119 14.761 3.843 1.00 0.00 C ATOM 778 CE3 TRP A 57 -2.840 13.373 4.851 1.00 0.00 C ATOM 779 CZ2 TRP A 57 -1.927 15.132 2.762 1.00 0.00 C ATOM 780 CZ3 TRP A 57 -3.635 13.754 3.764 1.00 0.00 C ATOM 781 CH2 TRP A 57 -3.222 14.600 2.741 1.00 0.00 C ATOM 0 H TRP A 57 -0.555 11.166 8.826 1.00 0.00 H new ATOM 0 HA TRP A 57 -0.164 11.096 6.047 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -1.517 12.718 7.346 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -0.031 13.481 7.876 1.00 0.00 H new ATOM 0 HD1 TRP A 57 1.511 14.592 5.781 1.00 0.00 H new ATOM 0 HE1 TRP A 57 0.784 15.738 3.572 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.194 12.712 5.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -1.571 15.793 1.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -4.641 13.363 3.717 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -3.897 14.846 1.934 1.00 0.00 H new ATOM 792 N ASP A 58 2.417 12.185 7.799 1.00 0.00 N ATOM 793 CA ASP A 58 3.855 12.387 7.758 1.00 0.00 C ATOM 794 C ASP A 58 4.514 11.192 7.065 1.00 0.00 C ATOM 795 O ASP A 58 5.369 11.367 6.197 1.00 0.00 O ATOM 796 CB ASP A 58 4.437 12.495 9.168 1.00 0.00 C ATOM 797 CG ASP A 58 5.745 13.283 9.270 1.00 0.00 C ATOM 798 OD1 ASP A 58 5.782 14.494 9.008 1.00 0.00 O ATOM 799 OD2 ASP A 58 6.770 12.593 9.641 1.00 0.00 O ATOM 0 H ASP A 58 1.979 12.416 8.691 1.00 0.00 H new ATOM 0 HA ASP A 58 4.050 13.312 7.216 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.696 12.964 9.815 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.605 11.489 9.553 1.00 0.00 H new ATOM 805 N LEU A 59 4.091 10.005 7.474 1.00 0.00 N ATOM 806 CA LEU A 59 4.629 8.782 6.903 1.00 0.00 C ATOM 807 C LEU A 59 4.035 8.569 5.509 1.00 0.00 C ATOM 808 O LEU A 59 4.682 7.994 4.635 1.00 0.00 O ATOM 809 CB LEU A 59 4.405 7.603 7.853 1.00 0.00 C ATOM 810 CG LEU A 59 4.868 6.236 7.346 1.00 0.00 C ATOM 811 CD1 LEU A 59 3.795 5.583 6.472 1.00 0.00 C ATOM 812 CD2 LEU A 59 6.210 6.345 6.620 1.00 0.00 C ATOM 0 H LEU A 59 3.382 9.864 8.194 1.00 0.00 H new ATOM 0 HA LEU A 59 5.709 8.863 6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.920 7.814 8.790 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.341 7.543 8.081 1.00 0.00 H new ATOM 0 HG LEU A 59 5.021 5.587 8.208 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.150 4.613 6.125 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.883 5.449 7.054 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.587 6.222 5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.516 5.359 6.270 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.109 7.017 5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.963 6.737 7.304 1.00 0.00 H new ATOM 824 N ALA A 60 2.809 9.045 5.345 1.00 0.00 N ATOM 825 CA ALA A 60 2.120 8.915 4.072 1.00 0.00 C ATOM 826 C ALA A 60 2.857 9.736 3.012 1.00 0.00 C ATOM 827 O ALA A 60 3.407 9.179 2.063 1.00 0.00 O ATOM 828 CB ALA A 60 0.661 9.347 4.235 1.00 0.00 C ATOM 0 H ALA A 60 2.275 9.521 6.072 1.00 0.00 H new ATOM 0 HA ALA A 60 2.117 7.877 3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.144 9.250 3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.175 8.714 4.977 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.624 10.386 4.564 1.00 0.00 H new ATOM 834 N ASP A 61 2.844 11.046 3.209 1.00 0.00 N ATOM 835 CA ASP A 61 3.504 11.949 2.282 1.00 0.00 C ATOM 836 C ASP A 61 4.819 11.322 1.815 1.00 0.00 C ATOM 837 O ASP A 61 5.613 10.855 2.631 1.00 0.00 O ATOM 838 CB ASP A 61 3.829 13.285 2.951 1.00 0.00 C ATOM 839 CG ASP A 61 4.419 14.348 2.022 1.00 0.00 C ATOM 840 OD1 ASP A 61 5.189 14.034 1.101 1.00 0.00 O ATOM 841 OD2 ASP A 61 4.054 15.558 2.277 1.00 0.00 O ATOM 0 H ASP A 61 2.387 11.504 3.997 1.00 0.00 H new ATOM 0 HA ASP A 61 2.831 12.121 1.442 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.917 13.681 3.399 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.532 13.105 3.765 1.00 0.00 H new ATOM 847 N THR A 62 5.010 11.331 0.504 1.00 0.00 N ATOM 848 CA THR A 62 6.215 10.769 -0.081 1.00 0.00 C ATOM 849 C THR A 62 6.496 11.408 -1.442 1.00 0.00 C ATOM 850 O THR A 62 7.628 11.793 -1.730 1.00 0.00 O ATOM 851 CB THR A 62 6.045 9.250 -0.147 1.00 0.00 C ATOM 852 OG1 THR A 62 6.471 8.797 1.135 1.00 0.00 O ATOM 853 CG2 THR A 62 7.026 8.592 -1.119 1.00 0.00 C ATOM 0 H THR A 62 4.350 11.719 -0.170 1.00 0.00 H new ATOM 0 HA THR A 62 7.090 10.987 0.532 1.00 0.00 H new ATOM 0 HB THR A 62 5.024 9.012 -0.446 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.494 9.553 1.758 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.862 7.514 -1.127 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.868 8.991 -2.121 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.048 8.801 -0.802 1.00 0.00 H new ATOM 861 N ASP A 63 5.445 11.502 -2.244 1.00 0.00 N ATOM 862 CA ASP A 63 5.564 12.088 -3.568 1.00 0.00 C ATOM 863 C ASP A 63 5.931 13.568 -3.435 1.00 0.00 C ATOM 864 O ASP A 63 6.930 14.016 -3.995 1.00 0.00 O ATOM 865 CB ASP A 63 4.241 11.996 -4.332 1.00 0.00 C ATOM 866 CG ASP A 63 4.373 11.626 -5.811 1.00 0.00 C ATOM 867 OD1 ASP A 63 5.222 10.806 -6.191 1.00 0.00 O ATOM 868 OD2 ASP A 63 3.547 12.226 -6.599 1.00 0.00 O ATOM 0 H ASP A 63 4.507 11.182 -2.002 1.00 0.00 H new ATOM 0 HA ASP A 63 6.333 11.540 -4.112 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.607 11.256 -3.843 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.728 12.955 -4.257 1.00 0.00 H new ATOM 874 N GLY A 64 5.102 14.285 -2.691 1.00 0.00 N ATOM 875 CA GLY A 64 5.327 15.705 -2.477 1.00 0.00 C ATOM 876 C GLY A 64 4.342 16.268 -1.451 1.00 0.00 C ATOM 877 O GLY A 64 4.354 15.866 -0.288 1.00 0.00 O ATOM 0 H GLY A 64 4.274 13.910 -2.229 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.348 15.867 -2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.220 16.240 -3.421 1.00 0.00 H new ATOM 881 N LYS A 65 3.513 17.190 -1.918 1.00 0.00 N ATOM 882 CA LYS A 65 2.523 17.812 -1.055 1.00 0.00 C ATOM 883 C LYS A 65 1.517 18.581 -1.913 1.00 0.00 C ATOM 884 O LYS A 65 1.778 18.860 -3.082 1.00 0.00 O ATOM 885 CB LYS A 65 3.206 18.671 0.011 1.00 0.00 C ATOM 886 CG LYS A 65 2.326 18.802 1.256 1.00 0.00 C ATOM 887 CD LYS A 65 2.034 20.271 1.569 1.00 0.00 C ATOM 888 CE LYS A 65 2.918 20.774 2.712 1.00 0.00 C ATOM 889 NZ LYS A 65 2.745 22.232 2.897 1.00 0.00 N ATOM 0 H LYS A 65 3.506 17.521 -2.883 1.00 0.00 H new ATOM 0 HA LYS A 65 1.963 17.053 -0.509 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.163 18.226 0.283 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.418 19.660 -0.395 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.389 18.266 1.102 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.823 18.337 2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.204 20.877 0.679 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.984 20.388 1.838 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.663 20.252 3.634 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.963 20.550 2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.352 22.557 3.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.010 22.727 2.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.751 22.438 3.123 1.00 0.00 H new ATOM 900 N GLY A 66 0.387 18.902 -1.299 1.00 0.00 N ATOM 901 CA GLY A 66 -0.659 19.634 -1.992 1.00 0.00 C ATOM 902 C GLY A 66 -1.569 18.683 -2.773 1.00 0.00 C ATOM 903 O GLY A 66 -2.661 19.065 -3.189 1.00 0.00 O ATOM 0 H GLY A 66 0.173 18.668 -0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.250 20.199 -1.272 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.211 20.357 -2.674 1.00 0.00 H new ATOM 907 N VAL A 67 -1.083 17.463 -2.948 1.00 0.00 N ATOM 908 CA VAL A 67 -1.839 16.454 -3.672 1.00 0.00 C ATOM 909 C VAL A 67 -1.408 15.064 -3.199 1.00 0.00 C ATOM 910 O VAL A 67 -0.350 14.912 -2.589 1.00 0.00 O ATOM 911 CB VAL A 67 -1.667 16.653 -5.179 1.00 0.00 C ATOM 912 CG1 VAL A 67 -2.915 16.198 -5.937 1.00 0.00 C ATOM 913 CG2 VAL A 67 -1.327 18.108 -5.505 1.00 0.00 C ATOM 0 H VAL A 67 -0.176 17.150 -2.602 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.905 16.552 -3.464 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.832 16.033 -5.506 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.767 16.350 -7.006 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.094 15.141 -5.742 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.775 16.779 -5.604 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.210 18.222 -6.583 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.131 18.756 -5.157 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.397 18.384 -5.008 1.00 0.00 H new ATOM 923 N LEU A 68 -2.248 14.085 -3.499 1.00 0.00 N ATOM 924 CA LEU A 68 -1.968 12.713 -3.112 1.00 0.00 C ATOM 925 C LEU A 68 -1.898 11.838 -4.366 1.00 0.00 C ATOM 926 O LEU A 68 -2.442 12.198 -5.409 1.00 0.00 O ATOM 927 CB LEU A 68 -2.987 12.228 -2.080 1.00 0.00 C ATOM 928 CG LEU A 68 -3.047 13.020 -0.772 1.00 0.00 C ATOM 929 CD1 LEU A 68 -4.124 12.461 0.159 1.00 0.00 C ATOM 930 CD2 LEU A 68 -1.674 13.069 -0.098 1.00 0.00 C ATOM 0 H LEU A 68 -3.124 14.215 -4.006 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.997 12.647 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.976 12.247 -2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.766 11.188 -1.842 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.327 14.047 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.145 13.042 1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.096 12.522 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.900 11.420 0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.744 13.638 0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.340 12.055 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.958 13.549 -0.765 1.00 0.00 H new ATOM 942 N SER A 69 -1.225 10.706 -4.223 1.00 0.00 N ATOM 943 CA SER A 69 -1.078 9.778 -5.330 1.00 0.00 C ATOM 944 C SER A 69 -2.220 8.759 -5.315 1.00 0.00 C ATOM 945 O SER A 69 -3.320 9.048 -5.784 1.00 0.00 O ATOM 946 CB SER A 69 0.273 9.061 -5.273 1.00 0.00 C ATOM 947 OG SER A 69 1.357 9.941 -5.560 1.00 0.00 O ATOM 0 H SER A 69 -0.775 10.411 -3.356 1.00 0.00 H new ATOM 0 HA SER A 69 -1.119 10.346 -6.259 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.411 8.626 -4.283 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.276 8.237 -5.986 1.00 0.00 H new ATOM 0 HG SER A 69 2.202 9.446 -5.512 1.00 0.00 H new ATOM 953 N LYS A 70 -1.919 7.589 -4.771 1.00 0.00 N ATOM 954 CA LYS A 70 -2.907 6.527 -4.689 1.00 0.00 C ATOM 955 C LYS A 70 -2.491 5.533 -3.602 1.00 0.00 C ATOM 956 O LYS A 70 -3.192 5.368 -2.606 1.00 0.00 O ATOM 957 CB LYS A 70 -3.119 5.884 -6.061 1.00 0.00 C ATOM 958 CG LYS A 70 -1.842 5.953 -6.902 1.00 0.00 C ATOM 959 CD LYS A 70 -1.642 4.664 -7.701 1.00 0.00 C ATOM 960 CE LYS A 70 -0.841 4.929 -8.977 1.00 0.00 C ATOM 961 NZ LYS A 70 0.117 3.828 -9.226 1.00 0.00 N ATOM 0 H LYS A 70 -1.006 7.353 -4.383 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.877 6.931 -4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.421 4.844 -5.937 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.930 6.391 -6.583 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.896 6.802 -7.583 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.983 6.119 -6.252 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.122 3.928 -7.087 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.611 4.237 -7.958 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.519 5.028 -9.825 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.304 5.873 -8.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.652 4.024 -10.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.775 3.752 -8.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.402 2.933 -9.333 1.00 0.00 H new ATOM 972 N GLN A 71 -1.351 4.897 -3.832 1.00 0.00 N ATOM 973 CA GLN A 71 -0.834 3.924 -2.885 1.00 0.00 C ATOM 974 C GLN A 71 -0.719 4.547 -1.492 1.00 0.00 C ATOM 975 O GLN A 71 -1.135 3.945 -0.503 1.00 0.00 O ATOM 976 CB GLN A 71 0.515 3.370 -3.350 1.00 0.00 C ATOM 977 CG GLN A 71 1.667 4.008 -2.572 1.00 0.00 C ATOM 978 CD GLN A 71 2.973 3.243 -2.801 1.00 0.00 C ATOM 979 OE1 GLN A 71 3.369 2.961 -3.919 1.00 0.00 O ATOM 980 NE2 GLN A 71 3.616 2.924 -1.681 1.00 0.00 N ATOM 0 H GLN A 71 -0.772 5.037 -4.660 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.534 3.090 -2.832 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.534 2.289 -3.214 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.642 3.560 -4.416 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.790 5.046 -2.883 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.430 4.020 -1.508 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.228 3.191 -0.776 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.497 2.412 -1.727 1.00 0.00 H new ATOM 989 N GLU A 72 -0.154 5.745 -1.460 1.00 0.00 N ATOM 990 CA GLU A 72 0.020 6.456 -0.205 1.00 0.00 C ATOM 991 C GLU A 72 -1.291 6.468 0.585 1.00 0.00 C ATOM 992 O GLU A 72 -1.409 5.798 1.609 1.00 0.00 O ATOM 993 CB GLU A 72 0.528 7.879 -0.447 1.00 0.00 C ATOM 994 CG GLU A 72 -0.191 8.523 -1.634 1.00 0.00 C ATOM 995 CD GLU A 72 -0.988 9.752 -1.192 1.00 0.00 C ATOM 996 OE1 GLU A 72 -2.032 9.611 -0.538 1.00 0.00 O ATOM 997 OE2 GLU A 72 -0.486 10.885 -1.551 1.00 0.00 O ATOM 0 H GLU A 72 0.189 6.241 -2.283 1.00 0.00 H new ATOM 0 HA GLU A 72 0.772 5.933 0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.372 8.482 0.448 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.602 7.859 -0.635 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.537 8.811 -2.392 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.861 7.797 -2.095 1.00 0.00 H new ATOM 1005 N PHE A 73 -2.242 7.238 0.078 1.00 0.00 N ATOM 1006 CA PHE A 73 -3.540 7.347 0.723 1.00 0.00 C ATOM 1007 C PHE A 73 -4.153 5.965 0.956 1.00 0.00 C ATOM 1008 O PHE A 73 -4.995 5.796 1.837 1.00 0.00 O ATOM 1009 CB PHE A 73 -4.444 8.140 -0.222 1.00 0.00 C ATOM 1010 CG PHE A 73 -5.935 8.028 0.103 1.00 0.00 C ATOM 1011 CD1 PHE A 73 -6.598 6.866 -0.137 1.00 0.00 C ATOM 1012 CD2 PHE A 73 -6.597 9.092 0.632 1.00 0.00 C ATOM 1013 CE1 PHE A 73 -7.982 6.762 0.165 1.00 0.00 C ATOM 1014 CE2 PHE A 73 -7.981 8.988 0.935 1.00 0.00 C ATOM 1015 CZ PHE A 73 -8.644 7.826 0.694 1.00 0.00 C ATOM 0 H PHE A 73 -2.140 7.793 -0.772 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.435 7.837 1.691 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.154 9.190 -0.190 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.278 7.794 -1.242 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.072 6.021 -0.557 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.071 10.016 0.822 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.509 5.838 -0.025 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.506 9.832 1.357 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.697 7.748 0.923 1.00 0.00 H new ATOM 1025 N PHE A 74 -3.708 5.011 0.151 1.00 0.00 N ATOM 1026 CA PHE A 74 -4.202 3.649 0.259 1.00 0.00 C ATOM 1027 C PHE A 74 -3.565 2.926 1.447 1.00 0.00 C ATOM 1028 O PHE A 74 -4.105 1.937 1.940 1.00 0.00 O ATOM 1029 CB PHE A 74 -3.810 2.927 -1.032 1.00 0.00 C ATOM 1030 CG PHE A 74 -4.964 2.751 -2.022 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -5.685 3.832 -2.424 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -5.268 1.515 -2.499 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -6.755 3.669 -3.343 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -6.338 1.352 -3.417 1.00 0.00 C ATOM 1035 CZ PHE A 74 -7.059 2.432 -3.820 1.00 0.00 C ATOM 0 H PHE A 74 -3.010 5.155 -0.579 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.282 3.656 0.410 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.009 3.484 -1.519 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -3.408 1.946 -0.780 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.444 4.814 -2.044 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.695 0.657 -2.179 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.327 4.527 -3.663 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.580 0.370 -3.796 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.873 2.308 -4.519 1.00 0.00 H new ATOM 1045 N VAL A 75 -2.424 3.449 1.874 1.00 0.00 N ATOM 1046 CA VAL A 75 -1.707 2.866 2.995 1.00 0.00 C ATOM 1047 C VAL A 75 -2.239 3.461 4.300 1.00 0.00 C ATOM 1048 O VAL A 75 -2.681 2.730 5.185 1.00 0.00 O ATOM 1049 CB VAL A 75 -0.201 3.069 2.816 1.00 0.00 C ATOM 1050 CG1 VAL A 75 0.433 3.624 4.092 1.00 0.00 C ATOM 1051 CG2 VAL A 75 0.480 1.768 2.386 1.00 0.00 C ATOM 0 H VAL A 75 -1.979 4.270 1.463 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.874 1.790 3.036 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.054 3.802 2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.504 3.759 3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.022 4.584 4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.270 2.926 4.913 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.550 1.940 2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.318 1.004 3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.058 1.432 1.439 1.00 0.00 H new ATOM 1061 N ALA A 76 -2.179 4.783 4.378 1.00 0.00 N ATOM 1062 CA ALA A 76 -2.650 5.484 5.560 1.00 0.00 C ATOM 1063 C ALA A 76 -4.041 4.969 5.934 1.00 0.00 C ATOM 1064 O ALA A 76 -4.364 4.844 7.115 1.00 0.00 O ATOM 1065 CB ALA A 76 -2.638 6.992 5.298 1.00 0.00 C ATOM 0 H ALA A 76 -1.812 5.386 3.642 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.990 5.294 6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.991 7.518 6.185 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.622 7.313 5.066 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.292 7.220 4.456 1.00 0.00 H new ATOM 1071 N LEU A 77 -4.827 4.684 4.907 1.00 0.00 N ATOM 1072 CA LEU A 77 -6.176 4.185 5.113 1.00 0.00 C ATOM 1073 C LEU A 77 -6.140 3.026 6.112 1.00 0.00 C ATOM 1074 O LEU A 77 -6.633 3.152 7.232 1.00 0.00 O ATOM 1075 CB LEU A 77 -6.824 3.822 3.775 1.00 0.00 C ATOM 1076 CG LEU A 77 -8.147 4.522 3.459 1.00 0.00 C ATOM 1077 CD1 LEU A 77 -8.787 3.941 2.196 1.00 0.00 C ATOM 1078 CD2 LEU A 77 -9.095 4.469 4.658 1.00 0.00 C ATOM 0 H LEU A 77 -4.556 4.789 3.929 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.806 4.961 5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.116 4.049 2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.992 2.745 3.755 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.938 5.573 3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.726 4.456 1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.111 4.074 1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.980 2.878 2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.028 4.974 4.407 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.302 3.430 4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.632 4.966 5.510 1.00 0.00 H new ATOM 1090 N ARG A 78 -5.551 1.925 5.671 1.00 0.00 N ATOM 1091 CA ARG A 78 -5.444 0.745 6.513 1.00 0.00 C ATOM 1092 C ARG A 78 -4.560 1.038 7.727 1.00 0.00 C ATOM 1093 O ARG A 78 -4.696 0.397 8.768 1.00 0.00 O ATOM 1094 CB ARG A 78 -4.856 -0.435 5.735 1.00 0.00 C ATOM 1095 CG ARG A 78 -5.948 -1.182 4.966 1.00 0.00 C ATOM 1096 CD ARG A 78 -7.114 -1.549 5.886 1.00 0.00 C ATOM 1097 NE ARG A 78 -8.252 -0.633 5.651 1.00 0.00 N ATOM 1098 CZ ARG A 78 -9.260 -0.884 4.789 1.00 0.00 C ATOM 1099 NH1 ARG A 78 -9.280 -2.027 4.072 1.00 0.00 N ATOM 1100 NH2 ARG A 78 -10.227 0.006 4.659 1.00 0.00 N ATOM 0 H ARG A 78 -5.143 1.824 4.742 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.448 0.482 6.845 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.098 -0.075 5.040 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.359 -1.118 6.424 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.309 -0.562 4.146 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.532 -2.086 4.523 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.422 -2.579 5.704 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.798 -1.490 6.928 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.276 0.243 6.173 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.530 -2.709 4.179 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.046 -2.209 3.423 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.205 0.867 5.205 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.996 -0.168 4.012 1.00 0.00 H new ATOM 1113 N LEU A 79 -3.673 2.006 7.553 1.00 0.00 N ATOM 1114 CA LEU A 79 -2.766 2.392 8.621 1.00 0.00 C ATOM 1115 C LEU A 79 -3.580 2.826 9.842 1.00 0.00 C ATOM 1116 O LEU A 79 -3.208 2.531 10.977 1.00 0.00 O ATOM 1117 CB LEU A 79 -1.780 3.453 8.130 1.00 0.00 C ATOM 1118 CG LEU A 79 -0.357 3.353 8.684 1.00 0.00 C ATOM 1119 CD1 LEU A 79 0.507 4.515 8.189 1.00 0.00 C ATOM 1120 CD2 LEU A 79 -0.368 3.258 10.211 1.00 0.00 C ATOM 0 H LEU A 79 -3.563 2.535 6.688 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.156 1.543 8.929 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.730 3.399 7.043 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.179 4.436 8.382 1.00 0.00 H new ATOM 0 HG LEU A 79 0.092 2.434 8.307 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.513 4.420 8.597 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.554 4.495 7.100 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.070 5.458 8.516 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.656 3.188 10.579 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.843 4.146 10.627 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.925 2.372 10.516 1.00 0.00 H new ATOM 1132 N VAL A 80 -4.674 3.521 9.568 1.00 0.00 N ATOM 1133 CA VAL A 80 -5.543 3.999 10.629 1.00 0.00 C ATOM 1134 C VAL A 80 -6.077 2.804 11.423 1.00 0.00 C ATOM 1135 O VAL A 80 -5.986 2.779 12.649 1.00 0.00 O ATOM 1136 CB VAL A 80 -6.655 4.871 10.043 1.00 0.00 C ATOM 1137 CG1 VAL A 80 -7.812 5.023 11.032 1.00 0.00 C ATOM 1138 CG2 VAL A 80 -6.113 6.238 9.619 1.00 0.00 C ATOM 0 H VAL A 80 -4.978 3.765 8.625 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.986 4.629 11.323 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.039 4.371 9.153 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.589 5.647 10.590 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.224 4.041 11.264 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.449 5.489 11.948 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.923 6.838 9.206 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.690 6.746 10.485 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.339 6.104 8.863 1.00 0.00 H new ATOM 1148 N ALA A 81 -6.621 1.844 10.690 1.00 0.00 N ATOM 1149 CA ALA A 81 -7.169 0.649 11.311 1.00 0.00 C ATOM 1150 C ALA A 81 -6.094 -0.010 12.177 1.00 0.00 C ATOM 1151 O ALA A 81 -6.409 -0.737 13.117 1.00 0.00 O ATOM 1152 CB ALA A 81 -7.701 -0.290 10.227 1.00 0.00 C ATOM 0 H ALA A 81 -6.694 1.869 9.673 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.005 0.904 11.962 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.112 -1.186 10.692 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.482 0.215 9.659 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.888 -0.569 9.556 1.00 0.00 H new ATOM 1158 N CYS A 82 -4.846 0.269 11.828 1.00 0.00 N ATOM 1159 CA CYS A 82 -3.722 -0.288 12.562 1.00 0.00 C ATOM 1160 C CYS A 82 -3.657 0.393 13.931 1.00 0.00 C ATOM 1161 O CYS A 82 -3.868 -0.249 14.958 1.00 0.00 O ATOM 1162 CB CYS A 82 -2.411 -0.139 11.788 1.00 0.00 C ATOM 1163 SG CYS A 82 -1.389 -1.643 11.992 1.00 0.00 S ATOM 0 H CYS A 82 -4.589 0.873 11.047 1.00 0.00 H new ATOM 0 HA CYS A 82 -3.868 -1.360 12.697 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -2.620 0.028 10.731 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -1.865 0.733 12.147 1.00 0.00 H new ATOM 0 HG CYS A 82 -0.130 -1.323 11.939 1.00 0.00 H new ATOM 1169 N ALA A 83 -3.365 1.685 13.900 1.00 0.00 N ATOM 1170 CA ALA A 83 -3.270 2.461 15.125 1.00 0.00 C ATOM 1171 C ALA A 83 -4.606 2.399 15.867 1.00 0.00 C ATOM 1172 O ALA A 83 -4.660 2.626 17.075 1.00 0.00 O ATOM 1173 CB ALA A 83 -2.854 3.895 14.791 1.00 0.00 C ATOM 0 H ALA A 83 -3.191 2.214 13.046 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.507 2.046 15.784 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.783 4.477 15.710 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.885 3.886 14.292 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.597 4.346 14.133 1.00 0.00 H new ATOM 1179 N GLN A 84 -5.652 2.091 15.114 1.00 0.00 N ATOM 1180 CA GLN A 84 -6.984 1.996 15.686 1.00 0.00 C ATOM 1181 C GLN A 84 -7.026 0.906 16.758 1.00 0.00 C ATOM 1182 O GLN A 84 -7.975 0.832 17.538 1.00 0.00 O ATOM 1183 CB GLN A 84 -8.030 1.737 14.600 1.00 0.00 C ATOM 1184 CG GLN A 84 -8.303 3.005 13.788 1.00 0.00 C ATOM 1185 CD GLN A 84 -9.711 3.539 14.061 1.00 0.00 C ATOM 1186 OE1 GLN A 84 -9.904 4.668 14.481 1.00 0.00 O ATOM 1187 NE2 GLN A 84 -10.680 2.666 13.801 1.00 0.00 N ATOM 0 H GLN A 84 -5.604 1.904 14.112 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.224 2.950 16.156 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.683 0.944 13.937 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.956 1.388 15.057 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -7.566 3.768 14.039 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -8.191 2.791 12.725 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -10.448 1.736 13.451 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.655 2.926 13.952 1.00 0.00 H new ATOM 1196 N ASN A 85 -5.985 0.086 16.763 1.00 0.00 N ATOM 1197 CA ASN A 85 -5.891 -0.998 17.727 1.00 0.00 C ATOM 1198 C ASN A 85 -4.734 -0.719 18.690 1.00 0.00 C ATOM 1199 O ASN A 85 -4.272 -1.621 19.387 1.00 0.00 O ATOM 1200 CB ASN A 85 -5.615 -2.332 17.031 1.00 0.00 C ATOM 1201 CG ASN A 85 -6.121 -3.505 17.873 1.00 0.00 C ATOM 1202 OD1 ASN A 85 -5.360 -4.247 18.471 1.00 0.00 O ATOM 1203 ND2 ASN A 85 -7.445 -3.629 17.887 1.00 0.00 N ATOM 0 H ASN A 85 -5.200 0.150 16.115 1.00 0.00 H new ATOM 0 HA ASN A 85 -6.840 -1.059 18.260 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -6.100 -2.344 16.055 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -4.545 -2.440 16.856 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -7.881 -4.380 18.421 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.024 -2.973 17.364 1.00 0.00 H new ATOM 1210 N GLY A 86 -4.301 0.533 18.696 1.00 0.00 N ATOM 1211 CA GLY A 86 -3.207 0.941 19.562 1.00 0.00 C ATOM 1212 C GLY A 86 -1.858 0.522 18.975 1.00 0.00 C ATOM 1213 O GLY A 86 -0.831 0.606 19.648 1.00 0.00 O ATOM 0 H GLY A 86 -4.687 1.278 18.116 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.229 2.022 19.697 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.333 0.494 20.548 1.00 0.00 H new ATOM 1217 N LEU A 87 -1.903 0.080 17.727 1.00 0.00 N ATOM 1218 CA LEU A 87 -0.697 -0.352 17.042 1.00 0.00 C ATOM 1219 C LEU A 87 0.084 0.876 16.568 1.00 0.00 C ATOM 1220 O LEU A 87 -0.437 1.990 16.583 1.00 0.00 O ATOM 1221 CB LEU A 87 -1.040 -1.333 15.919 1.00 0.00 C ATOM 1222 CG LEU A 87 -1.729 -2.630 16.349 1.00 0.00 C ATOM 1223 CD1 LEU A 87 -2.364 -3.337 15.150 1.00 0.00 C ATOM 1224 CD2 LEU A 87 -0.760 -3.541 17.104 1.00 0.00 C ATOM 0 H LEU A 87 -2.756 0.012 17.172 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.047 -0.899 17.725 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.684 -0.823 15.202 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.120 -1.590 15.394 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.535 -2.377 17.037 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.847 -4.256 15.483 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.106 -2.682 14.693 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.592 -3.577 14.419 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.275 -4.456 17.398 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.082 -3.790 16.459 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.396 -3.027 17.994 1.00 0.00 H new ATOM 1236 N GLU A 88 1.319 0.630 16.159 1.00 0.00 N ATOM 1237 CA GLU A 88 2.177 1.702 15.682 1.00 0.00 C ATOM 1238 C GLU A 88 1.446 2.536 14.627 1.00 0.00 C ATOM 1239 O GLU A 88 0.365 2.163 14.175 1.00 0.00 O ATOM 1240 CB GLU A 88 3.491 1.148 15.128 1.00 0.00 C ATOM 1241 CG GLU A 88 4.658 2.084 15.448 1.00 0.00 C ATOM 1242 CD GLU A 88 5.764 1.343 16.202 1.00 0.00 C ATOM 1243 OE1 GLU A 88 6.713 0.844 15.579 1.00 0.00 O ATOM 1244 OE2 GLU A 88 5.614 1.297 17.483 1.00 0.00 O ATOM 0 H GLU A 88 1.747 -0.296 16.148 1.00 0.00 H new ATOM 0 HA GLU A 88 2.421 2.349 16.525 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.683 0.163 15.554 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.409 1.019 14.049 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.059 2.500 14.524 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.303 2.922 16.047 1.00 0.00 H new ATOM 1252 N VAL A 89 2.067 3.650 14.266 1.00 0.00 N ATOM 1253 CA VAL A 89 1.489 4.540 13.273 1.00 0.00 C ATOM 1254 C VAL A 89 2.389 4.570 12.037 1.00 0.00 C ATOM 1255 O VAL A 89 2.009 5.114 11.001 1.00 0.00 O ATOM 1256 CB VAL A 89 1.263 5.925 13.882 1.00 0.00 C ATOM 1257 CG1 VAL A 89 0.434 6.806 12.945 1.00 0.00 C ATOM 1258 CG2 VAL A 89 0.606 5.819 15.259 1.00 0.00 C ATOM 0 H VAL A 89 2.964 3.956 14.643 1.00 0.00 H new ATOM 0 HA VAL A 89 0.512 4.176 12.955 1.00 0.00 H new ATOM 0 HB VAL A 89 2.237 6.397 14.012 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.287 7.785 13.401 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.958 6.922 11.996 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.535 6.339 12.769 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.457 6.818 15.669 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.357 5.318 15.165 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.250 5.245 15.926 1.00 0.00 H new ATOM 1268 N SER A 90 3.566 3.978 12.185 1.00 0.00 N ATOM 1269 CA SER A 90 4.523 3.931 11.093 1.00 0.00 C ATOM 1270 C SER A 90 4.370 2.619 10.320 1.00 0.00 C ATOM 1271 O SER A 90 3.960 1.606 10.885 1.00 0.00 O ATOM 1272 CB SER A 90 5.955 4.078 11.609 1.00 0.00 C ATOM 1273 OG SER A 90 6.092 5.185 12.497 1.00 0.00 O ATOM 0 H SER A 90 3.878 3.527 13.045 1.00 0.00 H new ATOM 0 HA SER A 90 4.319 4.767 10.423 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.251 3.163 12.122 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.633 4.204 10.765 1.00 0.00 H new ATOM 0 HG SER A 90 7.020 5.244 12.806 1.00 0.00 H new ATOM 1279 N LEU A 91 4.707 2.680 9.041 1.00 0.00 N ATOM 1280 CA LEU A 91 4.613 1.510 8.185 1.00 0.00 C ATOM 1281 C LEU A 91 5.592 0.443 8.677 1.00 0.00 C ATOM 1282 O LEU A 91 5.404 -0.745 8.417 1.00 0.00 O ATOM 1283 CB LEU A 91 4.815 1.901 6.719 1.00 0.00 C ATOM 1284 CG LEU A 91 3.540 2.116 5.901 1.00 0.00 C ATOM 1285 CD1 LEU A 91 3.867 2.670 4.513 1.00 0.00 C ATOM 1286 CD2 LEU A 91 2.714 0.830 5.824 1.00 0.00 C ATOM 0 H LEU A 91 5.046 3.522 8.576 1.00 0.00 H new ATOM 0 HA LEU A 91 3.614 1.077 8.241 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.403 2.818 6.686 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.407 1.125 6.235 1.00 0.00 H new ATOM 0 HG LEU A 91 2.929 2.861 6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.944 2.814 3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.382 3.625 4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.508 1.966 3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.813 1.011 5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.305 0.046 5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.435 0.516 6.830 1.00 0.00 H new ATOM 1298 N SER A 92 6.616 0.904 9.380 1.00 0.00 N ATOM 1299 CA SER A 92 7.625 0.003 9.912 1.00 0.00 C ATOM 1300 C SER A 92 6.973 -1.024 10.839 1.00 0.00 C ATOM 1301 O SER A 92 7.546 -2.081 11.101 1.00 0.00 O ATOM 1302 CB SER A 92 8.714 0.776 10.658 1.00 0.00 C ATOM 1303 OG SER A 92 9.666 1.351 9.767 1.00 0.00 O ATOM 0 H SER A 92 6.769 1.890 9.594 1.00 0.00 H new ATOM 0 HA SER A 92 8.094 -0.518 9.077 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.255 1.564 11.256 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.224 0.107 11.351 1.00 0.00 H new ATOM 0 HG SER A 92 10.344 1.837 10.282 1.00 0.00 H new ATOM 1309 N SER A 93 5.784 -0.679 11.310 1.00 0.00 N ATOM 1310 CA SER A 93 5.048 -1.558 12.203 1.00 0.00 C ATOM 1311 C SER A 93 3.705 -1.936 11.575 1.00 0.00 C ATOM 1312 O SER A 93 2.719 -2.136 12.282 1.00 0.00 O ATOM 1313 CB SER A 93 4.830 -0.901 13.567 1.00 0.00 C ATOM 1314 OG SER A 93 5.575 -1.546 14.596 1.00 0.00 O ATOM 0 H SER A 93 5.312 0.198 11.090 1.00 0.00 H new ATOM 0 HA SER A 93 5.638 -2.462 12.356 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.119 0.149 13.514 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.769 -0.927 13.817 1.00 0.00 H new ATOM 0 HG SER A 93 6.143 -0.889 15.049 1.00 0.00 H new ATOM 1320 N LEU A 94 3.710 -2.023 10.253 1.00 0.00 N ATOM 1321 CA LEU A 94 2.504 -2.373 9.521 1.00 0.00 C ATOM 1322 C LEU A 94 2.653 -3.784 8.948 1.00 0.00 C ATOM 1323 O LEU A 94 3.584 -4.506 9.300 1.00 0.00 O ATOM 1324 CB LEU A 94 2.189 -1.311 8.467 1.00 0.00 C ATOM 1325 CG LEU A 94 1.178 -0.238 8.877 1.00 0.00 C ATOM 1326 CD1 LEU A 94 -0.209 -0.847 9.096 1.00 0.00 C ATOM 1327 CD2 LEU A 94 1.665 0.535 10.104 1.00 0.00 C ATOM 0 H LEU A 94 4.530 -1.857 9.669 1.00 0.00 H new ATOM 0 HA LEU A 94 1.643 -2.389 10.190 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.120 -0.817 8.188 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.815 -1.813 7.575 1.00 0.00 H new ATOM 0 HG LEU A 94 1.090 0.478 8.060 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.909 -0.063 9.387 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.551 -1.315 8.173 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.157 -1.597 9.885 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.928 1.291 10.374 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.800 -0.154 10.938 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.614 1.019 9.876 1.00 0.00 H new ATOM 1339 N SER A 95 1.721 -4.134 8.073 1.00 0.00 N ATOM 1340 CA SER A 95 1.737 -5.445 7.447 1.00 0.00 C ATOM 1341 C SER A 95 1.528 -6.532 8.504 1.00 0.00 C ATOM 1342 O SER A 95 2.151 -7.591 8.441 1.00 0.00 O ATOM 1343 CB SER A 95 3.048 -5.680 6.695 1.00 0.00 C ATOM 1344 OG SER A 95 3.267 -7.062 6.423 1.00 0.00 O ATOM 0 H SER A 95 0.950 -3.532 7.783 1.00 0.00 H new ATOM 0 HA SER A 95 0.922 -5.489 6.724 1.00 0.00 H new ATOM 0 HB2 SER A 95 3.033 -5.124 5.758 1.00 0.00 H new ATOM 0 HB3 SER A 95 3.879 -5.290 7.284 1.00 0.00 H new ATOM 0 HG SER A 95 3.313 -7.558 7.267 1.00 0.00 H new ATOM 1350 N LEU A 96 0.650 -6.232 9.450 1.00 0.00 N ATOM 1351 CA LEU A 96 0.352 -7.170 10.518 1.00 0.00 C ATOM 1352 C LEU A 96 -1.144 -7.490 10.507 1.00 0.00 C ATOM 1353 O LEU A 96 -1.809 -7.333 9.484 1.00 0.00 O ATOM 1354 CB LEU A 96 0.856 -6.633 11.859 1.00 0.00 C ATOM 1355 CG LEU A 96 2.144 -5.809 11.810 1.00 0.00 C ATOM 1356 CD1 LEU A 96 2.170 -4.764 12.927 1.00 0.00 C ATOM 1357 CD2 LEU A 96 3.377 -6.715 11.845 1.00 0.00 C ATOM 0 H LEU A 96 0.136 -5.353 9.499 1.00 0.00 H new ATOM 0 HA LEU A 96 0.881 -8.110 10.358 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.071 -6.018 12.300 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.014 -7.477 12.530 1.00 0.00 H new ATOM 0 HG LEU A 96 2.167 -5.269 10.863 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.096 -4.192 12.869 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.320 -4.090 12.815 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.112 -5.264 13.894 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.279 -6.104 11.809 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.372 -7.301 12.764 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.359 -7.387 10.987 1.00 0.00 H new ATOM 1369 N ALA A 97 -1.630 -7.933 11.657 1.00 0.00 N ATOM 1370 CA ALA A 97 -3.036 -8.277 11.793 1.00 0.00 C ATOM 1371 C ALA A 97 -3.836 -7.013 12.114 1.00 0.00 C ATOM 1372 O ALA A 97 -4.561 -6.969 13.106 1.00 0.00 O ATOM 1373 CB ALA A 97 -3.196 -9.357 12.865 1.00 0.00 C ATOM 0 H ALA A 97 -1.076 -8.062 12.503 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.424 -8.685 10.860 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.250 -9.615 12.967 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.632 -10.244 12.575 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.820 -8.983 13.817 1.00 0.00 H new ATOM 1379 N VAL A 98 -3.679 -6.017 11.254 1.00 0.00 N ATOM 1380 CA VAL A 98 -4.378 -4.756 11.433 1.00 0.00 C ATOM 1381 C VAL A 98 -5.885 -4.994 11.320 1.00 0.00 C ATOM 1382 O VAL A 98 -6.353 -5.589 10.351 1.00 0.00 O ATOM 1383 CB VAL A 98 -3.859 -3.723 10.432 1.00 0.00 C ATOM 1384 CG1 VAL A 98 -3.709 -4.337 9.038 1.00 0.00 C ATOM 1385 CG2 VAL A 98 -4.766 -2.492 10.394 1.00 0.00 C ATOM 0 H VAL A 98 -3.078 -6.058 10.431 1.00 0.00 H new ATOM 0 HA VAL A 98 -4.186 -4.350 12.426 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.872 -3.401 10.764 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.338 -3.581 8.345 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.004 -5.167 9.080 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.677 -4.700 8.694 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.374 -1.773 9.674 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.772 -2.790 10.098 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.799 -2.034 11.383 1.00 0.00 H new ATOM 1395 N PRO A 99 -6.624 -4.503 12.352 1.00 0.00 N ATOM 1396 CA PRO A 99 -8.068 -4.655 12.377 1.00 0.00 C ATOM 1397 C PRO A 99 -8.739 -3.693 11.394 1.00 0.00 C ATOM 1398 O PRO A 99 -8.071 -2.861 10.782 1.00 0.00 O ATOM 1399 CB PRO A 99 -8.465 -4.400 13.822 1.00 0.00 C ATOM 1400 CG PRO A 99 -7.295 -3.662 14.452 1.00 0.00 C ATOM 1401 CD PRO A 99 -6.104 -3.792 13.516 1.00 0.00 C ATOM 0 HA PRO A 99 -8.392 -5.645 12.057 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -9.377 -3.806 13.877 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -8.663 -5.336 14.344 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -7.545 -2.613 14.608 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -7.060 -4.083 15.430 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -5.709 -2.814 13.239 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -5.289 -4.343 13.986 1.00 0.00 H new ATOM 1409 N PRO A 100 -10.085 -3.844 11.270 1.00 0.00 N ATOM 1410 CA PRO A 100 -10.853 -2.999 10.372 1.00 0.00 C ATOM 1411 C PRO A 100 -11.029 -1.595 10.956 1.00 0.00 C ATOM 1412 O PRO A 100 -11.171 -1.437 12.167 1.00 0.00 O ATOM 1413 CB PRO A 100 -12.171 -3.729 10.174 1.00 0.00 C ATOM 1414 CG PRO A 100 -12.277 -4.716 11.326 1.00 0.00 C ATOM 1415 CD PRO A 100 -10.908 -4.819 11.979 1.00 0.00 C ATOM 0 HA PRO A 100 -10.354 -2.840 9.416 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -13.009 -3.031 10.179 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -12.191 -4.245 9.214 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -13.021 -4.380 12.049 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -12.602 -5.692 10.964 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -10.959 -4.594 13.044 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -10.499 -5.825 11.885 1.00 0.00 H new ATOM 1423 N PRO A 101 -11.012 -0.587 10.044 1.00 0.00 N ATOM 1424 CA PRO A 101 -11.168 0.798 10.456 1.00 0.00 C ATOM 1425 C PRO A 101 -12.624 1.101 10.817 1.00 0.00 C ATOM 1426 O PRO A 101 -13.425 0.187 11.001 1.00 0.00 O ATOM 1427 CB PRO A 101 -10.665 1.618 9.280 1.00 0.00 C ATOM 1428 CG PRO A 101 -10.681 0.682 8.082 1.00 0.00 C ATOM 1429 CD PRO A 101 -10.845 -0.737 8.601 1.00 0.00 C ATOM 0 HA PRO A 101 -10.604 1.034 11.359 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.303 2.485 9.107 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.660 1.995 9.468 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -11.498 0.939 7.408 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.757 0.776 7.512 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -11.709 -1.226 8.151 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -9.974 -1.348 8.365 1.00 0.00 H new ATOM 1437 N ARG A 102 -12.921 2.389 10.908 1.00 0.00 N ATOM 1438 CA ARG A 102 -14.266 2.825 11.244 1.00 0.00 C ATOM 1439 C ARG A 102 -15.023 3.234 9.979 1.00 0.00 C ATOM 1440 O ARG A 102 -16.245 3.106 9.913 1.00 0.00 O ATOM 1441 CB ARG A 102 -14.236 4.006 12.216 1.00 0.00 C ATOM 1442 CG ARG A 102 -15.336 3.876 13.271 1.00 0.00 C ATOM 1443 CD ARG A 102 -15.194 4.956 14.346 1.00 0.00 C ATOM 1444 NE ARG A 102 -16.118 4.676 15.468 1.00 0.00 N ATOM 1445 CZ ARG A 102 -17.438 4.959 15.451 1.00 0.00 C ATOM 1446 NH1 ARG A 102 -18.001 5.533 14.366 1.00 0.00 N ATOM 1447 NH2 ARG A 102 -18.170 4.666 16.509 1.00 0.00 N ATOM 0 H ARG A 102 -12.253 3.145 10.755 1.00 0.00 H new ATOM 0 HA ARG A 102 -14.776 1.988 11.722 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -13.263 4.055 12.704 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -14.364 4.938 11.665 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -16.313 3.958 12.795 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -15.288 2.890 13.732 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -14.167 4.987 14.709 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -15.411 5.936 13.920 1.00 0.00 H new ATOM 0 HE ARG A 102 -15.733 4.242 16.307 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -17.428 5.756 13.552 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -18.999 5.744 14.361 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -17.737 4.232 17.324 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -19.169 4.874 16.512 1.00 0.00 H new ATOM 1460 N PHE A 103 -14.266 3.718 9.005 1.00 0.00 N ATOM 1461 CA PHE A 103 -14.850 4.146 7.745 1.00 0.00 C ATOM 1462 C PHE A 103 -15.981 3.209 7.318 1.00 0.00 C ATOM 1463 O PHE A 103 -16.071 2.080 7.798 1.00 0.00 O ATOM 1464 CB PHE A 103 -13.737 4.095 6.696 1.00 0.00 C ATOM 1465 CG PHE A 103 -12.427 4.744 7.146 1.00 0.00 C ATOM 1466 CD1 PHE A 103 -12.378 6.082 7.387 1.00 0.00 C ATOM 1467 CD2 PHE A 103 -11.311 3.983 7.305 1.00 0.00 C ATOM 1468 CE1 PHE A 103 -11.162 6.684 7.805 1.00 0.00 C ATOM 1469 CE2 PHE A 103 -10.095 4.586 7.723 1.00 0.00 C ATOM 1470 CZ PHE A 103 -10.046 5.923 7.964 1.00 0.00 C ATOM 0 H PHE A 103 -13.253 3.823 9.063 1.00 0.00 H new ATOM 0 HA PHE A 103 -15.265 5.148 7.849 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -13.544 3.054 6.436 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -14.083 4.591 5.789 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -13.264 6.686 7.260 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -11.350 2.921 7.114 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -11.123 7.746 7.997 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -9.209 3.982 7.849 1.00 0.00 H new ATOM 0 HZ PHE A 103 -9.121 6.381 8.282 1.00 0.00 H new ATOM 1480 N HIS A 104 -16.816 3.711 6.420 1.00 0.00 N ATOM 1481 CA HIS A 104 -17.937 2.932 5.923 1.00 0.00 C ATOM 1482 C HIS A 104 -17.418 1.751 5.102 1.00 0.00 C ATOM 1483 O HIS A 104 -16.228 1.674 4.802 1.00 0.00 O ATOM 1484 CB HIS A 104 -18.908 3.818 5.140 1.00 0.00 C ATOM 1485 CG HIS A 104 -20.081 4.312 5.952 1.00 0.00 C ATOM 1486 ND1 HIS A 104 -21.125 5.034 5.400 1.00 0.00 N ATOM 1487 CD2 HIS A 104 -20.364 4.181 7.280 1.00 0.00 C ATOM 1488 CE1 HIS A 104 -21.991 5.319 6.361 1.00 0.00 C ATOM 1489 NE2 HIS A 104 -21.517 4.790 7.526 1.00 0.00 N ATOM 0 H HIS A 104 -16.738 4.648 6.024 1.00 0.00 H new ATOM 0 HA HIS A 104 -18.502 2.525 6.761 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -18.364 4.677 4.747 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -19.283 3.259 4.283 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -19.753 3.668 8.008 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -22.911 5.873 6.243 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -21.974 4.852 8.436 1.00 0.00 H new ATOM 1497 N ASP A 105 -18.336 0.858 4.763 1.00 0.00 N ATOM 1498 CA ASP A 105 -17.986 -0.316 3.982 1.00 0.00 C ATOM 1499 C ASP A 105 -19.264 -1.057 3.581 1.00 0.00 C ATOM 1500 O ASP A 105 -20.283 -0.432 3.293 1.00 0.00 O ATOM 1501 CB ASP A 105 -17.117 -1.279 4.794 1.00 0.00 C ATOM 1502 CG ASP A 105 -15.798 -1.678 4.129 1.00 0.00 C ATOM 1503 OD1 ASP A 105 -14.872 -0.862 4.008 1.00 0.00 O ATOM 1504 OD2 ASP A 105 -15.742 -2.900 3.719 1.00 0.00 O ATOM 0 H ASP A 105 -19.322 0.924 5.015 1.00 0.00 H new ATOM 0 HA ASP A 105 -17.433 0.017 3.104 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -16.896 -0.820 5.758 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -17.693 -2.182 4.995 1.00 0.00 H new TER 1510 ASP A 105