USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 669 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 : 1 23 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.2) USER MOD Single : 1 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 32 SER OG : rot 36:sc= 1.18 USER MOD Single : 1 34 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : 1 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 38 ASN :FLIP amide:sc= -6.57! C(o=-7.4!,f=-6.6!) USER MOD Single : 1 42 GLN : amide:sc= -3.65 X(o=-3.6,f=-3.3!) USER MOD Single : 1 44 SER OG : rot 180:sc= 0 USER MOD Single : 1 45 THR OG1 : rot -41:sc= 0.00764 USER MOD Single : 1 48 SER OG : rot 180:sc= -0.841 USER MOD Single : 1 52 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 74 TYR OH : rot 180:sc= 0 USER MOD Single : 1 75 TYR OH : rot 180:sc= 0 USER MOD Single : 1 76 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : 1 78 THR OG1 : rot 86:sc= 0.051 USER MOD Single : 1 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 92 GLN : amide:sc= -9.96! C(o=-10!,f=-9.8!) USER MOD Single : 1 97 LYS NZ :NH3+ 170:sc= -1.21 (180deg=-1.25) USER MOD Single : 1 99 THR OG1 : rot 180:sc= -0.228 USER MOD ----------------------------------------------------------------- ATOM 13 N ASN 1 23 -12.103 5.475 10.214 1.00 0.00 N ATOM 14 CA ASN 1 23 -10.918 5.526 11.064 1.00 0.00 C ATOM 15 C ASN 1 23 -9.961 4.384 10.735 1.00 0.00 C ATOM 16 O ASN 1 23 -9.915 3.377 11.441 1.00 0.00 O ATOM 17 CB ASN 1 23 -11.320 5.463 12.539 1.00 0.00 C ATOM 18 CG ASN 1 23 -11.469 6.840 13.156 1.00 0.00 C ATOM 19 OD1 ASN 1 23 -10.915 7.120 14.219 1.00 0.00 O ATOM 20 ND2 ASN 1 23 -12.222 7.708 12.491 1.00 0.00 N ATOM 0 HA ASN 1 23 -10.406 6.469 10.874 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 -12.261 4.922 12.634 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 -10.570 4.898 13.093 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -12.360 8.650 12.858 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 -12.663 7.433 11.613 1.00 0.00 H new ATOM 27 N VAL 1 24 -9.198 4.548 9.659 1.00 0.00 N ATOM 28 CA VAL 1 24 -8.242 3.530 9.238 1.00 0.00 C ATOM 29 C VAL 1 24 -7.017 4.158 8.588 1.00 0.00 C ATOM 30 O VAL 1 24 -7.093 5.242 8.008 1.00 0.00 O ATOM 31 CB VAL 1 24 -8.878 2.529 8.255 1.00 0.00 C ATOM 32 CG1 VAL 1 24 -10.039 1.798 8.912 1.00 0.00 C ATOM 33 CG2 VAL 1 24 -9.335 3.239 6.989 1.00 0.00 C ATOM 0 H VAL 1 24 -9.223 5.375 9.063 1.00 0.00 H new ATOM 0 HA VAL 1 24 -7.936 2.996 10.138 1.00 0.00 H new ATOM 0 HB VAL 1 24 -8.124 1.792 7.979 1.00 0.00 H new ATOM 0 HG11 VAL 1 24 -10.475 1.095 8.202 1.00 0.00 H new ATOM 0 HG12 VAL 1 24 -9.679 1.255 9.786 1.00 0.00 H new ATOM 0 HG13 VAL 1 24 -10.796 2.520 9.220 1.00 0.00 H new ATOM 0 HG21 VAL 1 24 -9.781 2.515 6.307 1.00 0.00 H new ATOM 0 HG22 VAL 1 24 -10.073 4.000 7.245 1.00 0.00 H new ATOM 0 HG23 VAL 1 24 -8.479 3.711 6.507 1.00 0.00 H new ATOM 43 N ARG 1 25 -5.887 3.470 8.694 1.00 0.00 N ATOM 44 CA ARG 1 25 -4.640 3.957 8.123 1.00 0.00 C ATOM 45 C ARG 1 25 -3.748 2.797 7.692 1.00 0.00 C ATOM 46 O ARG 1 25 -3.476 1.887 8.476 1.00 0.00 O ATOM 47 CB ARG 1 25 -3.906 4.832 9.139 1.00 0.00 C ATOM 48 CG ARG 1 25 -3.834 4.225 10.531 1.00 0.00 C ATOM 49 CD ARG 1 25 -3.939 5.291 11.610 1.00 0.00 C ATOM 50 NE ARG 1 25 -3.269 4.888 12.844 1.00 0.00 N ATOM 51 CZ ARG 1 25 -3.262 5.620 13.956 1.00 0.00 C ATOM 52 NH1 ARG 1 25 -3.886 6.791 13.993 1.00 0.00 N ATOM 53 NH2 ARG 1 25 -2.628 5.179 15.035 1.00 0.00 N ATOM 0 H ARG 1 25 -5.810 2.572 9.171 1.00 0.00 H new ATOM 0 HA ARG 1 25 -4.877 4.552 7.241 1.00 0.00 H new ATOM 0 HB2 ARG 1 25 -2.893 5.018 8.781 1.00 0.00 H new ATOM 0 HB3 ARG 1 25 -4.405 5.799 9.200 1.00 0.00 H new ATOM 0 HG2 ARG 1 25 -4.638 3.500 10.655 1.00 0.00 H new ATOM 0 HG3 ARG 1 25 -2.896 3.682 10.644 1.00 0.00 H new ATOM 0 HD2 ARG 1 25 -3.500 6.220 11.246 1.00 0.00 H new ATOM 0 HD3 ARG 1 25 -4.990 5.495 11.818 1.00 0.00 H new ATOM 0 HE ARG 1 25 -2.778 3.994 12.854 1.00 0.00 H new ATOM 0 HH11 ARG 1 25 -4.375 7.135 13.166 1.00 0.00 H new ATOM 0 HH12 ARG 1 25 -3.877 7.347 14.848 1.00 0.00 H new ATOM 0 HH21 ARG 1 25 -2.147 4.280 15.012 1.00 0.00 H new ATOM 0 HH22 ARG 1 25 -2.622 5.739 15.888 1.00 0.00 H new ATOM 67 N LEU 1 26 -3.295 2.834 6.443 1.00 0.00 N ATOM 68 CA LEU 1 26 -2.433 1.784 5.912 1.00 0.00 C ATOM 69 C LEU 1 26 -0.989 1.987 6.360 1.00 0.00 C ATOM 70 O LEU 1 26 -0.380 3.017 6.071 1.00 0.00 O ATOM 71 CB LEU 1 26 -2.505 1.755 4.381 1.00 0.00 C ATOM 72 CG LEU 1 26 -3.232 0.552 3.780 1.00 0.00 C ATOM 73 CD1 LEU 1 26 -2.769 -0.743 4.429 1.00 0.00 C ATOM 74 CD2 LEU 1 26 -4.730 0.725 3.929 1.00 0.00 C ATOM 0 H LEU 1 26 -3.510 3.579 5.780 1.00 0.00 H new ATOM 0 HA LEU 1 26 -2.786 0.830 6.302 1.00 0.00 H new ATOM 0 HB2 LEU 1 26 -3.000 2.664 4.040 1.00 0.00 H new ATOM 0 HB3 LEU 1 26 -1.489 1.778 3.986 1.00 0.00 H new ATOM 0 HG LEU 1 26 -2.991 0.495 2.719 1.00 0.00 H new ATOM 0 HD11 LEU 1 26 -3.301 -1.584 3.984 1.00 0.00 H new ATOM 0 HD12 LEU 1 26 -1.698 -0.867 4.270 1.00 0.00 H new ATOM 0 HD13 LEU 1 26 -2.976 -0.708 5.499 1.00 0.00 H new ATOM 0 HD21 LEU 1 26 -5.240 -0.136 3.498 1.00 0.00 H new ATOM 0 HD22 LEU 1 26 -4.984 0.806 4.986 1.00 0.00 H new ATOM 0 HD23 LEU 1 26 -5.045 1.630 3.410 1.00 0.00 H new ATOM 86 N GLN 1 27 -0.444 0.998 7.062 1.00 0.00 N ATOM 87 CA GLN 1 27 0.931 1.075 7.541 1.00 0.00 C ATOM 88 C GLN 1 27 1.915 0.858 6.396 1.00 0.00 C ATOM 89 O GLN 1 27 1.810 -0.115 5.649 1.00 0.00 O ATOM 90 CB GLN 1 27 1.175 0.042 8.643 1.00 0.00 C ATOM 91 CG GLN 1 27 0.440 0.351 9.938 1.00 0.00 C ATOM 92 CD GLN 1 27 1.380 0.534 11.114 1.00 0.00 C ATOM 93 OE1 GLN 1 27 1.790 1.652 11.426 1.00 0.00 O ATOM 94 NE2 GLN 1 27 1.725 -0.566 11.773 1.00 0.00 N ATOM 0 H GLN 1 27 -0.932 0.137 7.311 1.00 0.00 H new ATOM 0 HA GLN 1 27 1.090 2.072 7.952 1.00 0.00 H new ATOM 0 HB2 GLN 1 27 0.866 -0.940 8.284 1.00 0.00 H new ATOM 0 HB3 GLN 1 27 2.244 -0.015 8.846 1.00 0.00 H new ATOM 0 HG2 GLN 1 27 -0.153 1.256 9.808 1.00 0.00 H new ATOM 0 HG3 GLN 1 27 -0.257 -0.458 10.157 1.00 0.00 H new ATOM 0 HE21 GLN 1 27 1.361 -1.472 11.479 1.00 0.00 H new ATOM 0 HE22 GLN 1 27 2.354 -0.505 12.573 1.00 0.00 H new ATOM 103 N VAL 1 28 2.866 1.777 6.263 1.00 0.00 N ATOM 104 CA VAL 1 28 3.869 1.699 5.207 1.00 0.00 C ATOM 105 C VAL 1 28 5.031 0.795 5.610 1.00 0.00 C ATOM 106 O VAL 1 28 5.790 1.117 6.525 1.00 0.00 O ATOM 107 CB VAL 1 28 4.418 3.097 4.860 1.00 0.00 C ATOM 108 CG1 VAL 1 28 5.366 3.028 3.673 1.00 0.00 C ATOM 109 CG2 VAL 1 28 3.276 4.063 4.583 1.00 0.00 C ATOM 0 H VAL 1 28 2.963 2.587 6.875 1.00 0.00 H new ATOM 0 HA VAL 1 28 3.376 1.277 4.332 1.00 0.00 H new ATOM 0 HB VAL 1 28 4.980 3.466 5.718 1.00 0.00 H new ATOM 0 HG11 VAL 1 28 5.740 4.027 3.448 1.00 0.00 H new ATOM 0 HG12 VAL 1 28 6.203 2.373 3.914 1.00 0.00 H new ATOM 0 HG13 VAL 1 28 4.835 2.635 2.806 1.00 0.00 H new ATOM 0 HG21 VAL 1 28 3.681 5.045 4.340 1.00 0.00 H new ATOM 0 HG22 VAL 1 28 2.685 3.696 3.744 1.00 0.00 H new ATOM 0 HG23 VAL 1 28 2.643 4.141 5.467 1.00 0.00 H new ATOM 119 N GLU 1 29 5.168 -0.335 4.921 1.00 0.00 N ATOM 120 CA GLU 1 29 6.242 -1.277 5.211 1.00 0.00 C ATOM 121 C GLU 1 29 6.940 -1.730 3.931 1.00 0.00 C ATOM 122 O GLU 1 29 6.307 -2.264 3.020 1.00 0.00 O ATOM 123 CB GLU 1 29 5.697 -2.491 5.966 1.00 0.00 C ATOM 124 CG GLU 1 29 5.785 -2.357 7.477 1.00 0.00 C ATOM 125 CD GLU 1 29 5.698 -3.693 8.187 1.00 0.00 C ATOM 126 OE1 GLU 1 29 6.266 -4.678 7.670 1.00 0.00 O ATOM 127 OE2 GLU 1 29 5.061 -3.755 9.260 1.00 0.00 O ATOM 0 H GLU 1 29 4.550 -0.619 4.161 1.00 0.00 H new ATOM 0 HA GLU 1 29 6.974 -0.766 5.837 1.00 0.00 H new ATOM 0 HB2 GLU 1 29 4.656 -2.647 5.683 1.00 0.00 H new ATOM 0 HB3 GLU 1 29 6.248 -3.379 5.656 1.00 0.00 H new ATOM 0 HG2 GLU 1 29 6.724 -1.870 7.741 1.00 0.00 H new ATOM 0 HG3 GLU 1 29 4.981 -1.710 7.828 1.00 0.00 H new ATOM 134 N GLY 1 30 8.250 -1.517 3.877 1.00 0.00 N ATOM 135 CA GLY 1 30 9.028 -1.911 2.715 1.00 0.00 C ATOM 136 C GLY 1 30 9.034 -0.861 1.625 1.00 0.00 C ATOM 137 O GLY 1 30 9.011 -1.183 0.438 1.00 0.00 O ATOM 0 H GLY 1 30 8.790 -1.076 4.621 1.00 0.00 H new ATOM 0 HA2 GLY 1 30 10.054 -2.113 3.023 1.00 0.00 H new ATOM 0 HA3 GLY 1 30 8.626 -2.841 2.314 1.00 0.00 H new ATOM 141 N LEU 1 31 9.079 0.396 2.033 1.00 0.00 N ATOM 142 CA LEU 1 31 9.099 1.510 1.097 1.00 0.00 C ATOM 143 C LEU 1 31 10.067 2.589 1.572 1.00 0.00 C ATOM 144 O LEU 1 31 10.373 2.681 2.761 1.00 0.00 O ATOM 145 CB LEU 1 31 7.698 2.090 0.940 1.00 0.00 C ATOM 146 CG LEU 1 31 6.613 1.058 0.639 1.00 0.00 C ATOM 147 CD1 LEU 1 31 5.235 1.641 0.893 1.00 0.00 C ATOM 148 CD2 LEU 1 31 6.732 0.571 -0.796 1.00 0.00 C ATOM 0 H LEU 1 31 9.103 0.673 3.014 1.00 0.00 H new ATOM 0 HA LEU 1 31 9.438 1.143 0.128 1.00 0.00 H new ATOM 0 HB2 LEU 1 31 7.434 2.620 1.855 1.00 0.00 H new ATOM 0 HB3 LEU 1 31 7.712 2.828 0.138 1.00 0.00 H new ATOM 0 HG LEU 1 31 6.750 0.207 1.306 1.00 0.00 H new ATOM 0 HD11 LEU 1 31 4.476 0.890 0.673 1.00 0.00 H new ATOM 0 HD12 LEU 1 31 5.154 1.943 1.937 1.00 0.00 H new ATOM 0 HD13 LEU 1 31 5.083 2.509 0.252 1.00 0.00 H new ATOM 0 HD21 LEU 1 31 5.953 -0.164 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU 1 31 6.619 1.415 -1.477 1.00 0.00 H new ATOM 0 HD23 LEU 1 31 7.710 0.113 -0.945 1.00 0.00 H new ATOM 160 N SER 1 32 10.550 3.397 0.638 1.00 0.00 N ATOM 161 CA SER 1 32 11.490 4.463 0.965 1.00 0.00 C ATOM 162 C SER 1 32 11.610 5.457 -0.185 1.00 0.00 C ATOM 163 O SER 1 32 10.960 5.306 -1.219 1.00 0.00 O ATOM 164 CB SER 1 32 12.861 3.870 1.284 1.00 0.00 C ATOM 165 OG SER 1 32 12.957 3.512 2.652 1.00 0.00 O ATOM 0 H SER 1 32 10.308 3.336 -0.351 1.00 0.00 H new ATOM 0 HA SER 1 32 11.113 4.994 1.839 1.00 0.00 H new ATOM 0 HB2 SER 1 32 13.034 2.992 0.662 1.00 0.00 H new ATOM 0 HB3 SER 1 32 13.639 4.593 1.039 1.00 0.00 H new ATOM 0 HG SER 1 32 12.091 3.175 2.963 1.00 0.00 H new ATOM 171 N GLY 1 33 12.450 6.473 0.003 1.00 0.00 N ATOM 172 CA GLY 1 33 12.646 7.480 -1.026 1.00 0.00 C ATOM 173 C GLY 1 33 11.338 7.976 -1.611 1.00 0.00 C ATOM 174 O GLY 1 33 10.573 8.665 -0.938 1.00 0.00 O ATOM 0 H GLY 1 33 12.999 6.616 0.851 1.00 0.00 H new ATOM 0 HA2 GLY 1 33 13.195 8.323 -0.605 1.00 0.00 H new ATOM 0 HA3 GLY 1 33 13.262 7.065 -1.823 1.00 0.00 H new ATOM 178 N GLN 1 34 11.081 7.618 -2.864 1.00 0.00 N ATOM 179 CA GLN 1 34 9.853 8.021 -3.542 1.00 0.00 C ATOM 180 C GLN 1 34 8.789 6.930 -3.436 1.00 0.00 C ATOM 181 O GLN 1 34 7.594 7.200 -3.563 1.00 0.00 O ATOM 182 CB GLN 1 34 10.137 8.331 -5.013 1.00 0.00 C ATOM 183 CG GLN 1 34 10.745 9.705 -5.239 1.00 0.00 C ATOM 184 CD GLN 1 34 10.416 10.270 -6.607 1.00 0.00 C ATOM 185 OE1 GLN 1 34 10.356 9.538 -7.595 1.00 0.00 O ATOM 186 NE2 GLN 1 34 10.203 11.579 -6.671 1.00 0.00 N ATOM 0 H GLN 1 34 11.708 7.048 -3.432 1.00 0.00 H new ATOM 0 HA GLN 1 34 9.476 8.920 -3.054 1.00 0.00 H new ATOM 0 HB2 GLN 1 34 10.813 7.574 -5.411 1.00 0.00 H new ATOM 0 HB3 GLN 1 34 9.207 8.257 -5.577 1.00 0.00 H new ATOM 0 HG2 GLN 1 34 10.384 10.389 -4.471 1.00 0.00 H new ATOM 0 HG3 GLN 1 34 11.827 9.642 -5.126 1.00 0.00 H new ATOM 0 HE21 GLN 1 34 10.263 12.147 -5.826 1.00 0.00 H new ATOM 0 HE22 GLN 1 34 9.979 12.016 -7.565 1.00 0.00 H new ATOM 195 N LEU 1 35 9.232 5.696 -3.206 1.00 0.00 N ATOM 196 CA LEU 1 35 8.325 4.560 -3.086 1.00 0.00 C ATOM 197 C LEU 1 35 7.320 4.777 -1.964 1.00 0.00 C ATOM 198 O LEU 1 35 6.109 4.754 -2.185 1.00 0.00 O ATOM 199 CB LEU 1 35 9.119 3.284 -2.836 1.00 0.00 C ATOM 200 CG LEU 1 35 9.801 2.697 -4.073 1.00 0.00 C ATOM 201 CD1 LEU 1 35 8.858 1.795 -4.836 1.00 0.00 C ATOM 202 CD2 LEU 1 35 10.306 3.794 -4.988 1.00 0.00 C ATOM 0 H LEU 1 35 10.218 5.458 -3.099 1.00 0.00 H new ATOM 0 HA LEU 1 35 7.774 4.464 -4.021 1.00 0.00 H new ATOM 0 HB2 LEU 1 35 9.880 3.488 -2.082 1.00 0.00 H new ATOM 0 HB3 LEU 1 35 8.449 2.533 -2.417 1.00 0.00 H new ATOM 0 HG LEU 1 35 10.650 2.108 -3.727 1.00 0.00 H new ATOM 0 HD11 LEU 1 35 9.368 1.391 -5.710 1.00 0.00 H new ATOM 0 HD12 LEU 1 35 8.538 0.976 -4.192 1.00 0.00 H new ATOM 0 HD13 LEU 1 35 7.987 2.367 -5.156 1.00 0.00 H new ATOM 0 HD21 LEU 1 35 10.786 3.349 -5.859 1.00 0.00 H new ATOM 0 HD22 LEU 1 35 9.469 4.412 -5.312 1.00 0.00 H new ATOM 0 HD23 LEU 1 35 11.027 4.412 -4.452 1.00 0.00 H new ATOM 214 N GLU 1 36 7.833 4.989 -0.757 1.00 0.00 N ATOM 215 CA GLU 1 36 6.990 5.212 0.406 1.00 0.00 C ATOM 216 C GLU 1 36 6.028 6.375 0.167 1.00 0.00 C ATOM 217 O GLU 1 36 4.900 6.374 0.660 1.00 0.00 O ATOM 218 CB GLU 1 36 7.864 5.475 1.636 1.00 0.00 C ATOM 219 CG GLU 1 36 8.426 6.887 1.705 1.00 0.00 C ATOM 220 CD GLU 1 36 9.238 7.130 2.962 1.00 0.00 C ATOM 221 OE1 GLU 1 36 9.723 6.144 3.556 1.00 0.00 O ATOM 222 OE2 GLU 1 36 9.390 8.307 3.352 1.00 0.00 O ATOM 0 H GLU 1 36 8.834 5.011 -0.561 1.00 0.00 H new ATOM 0 HA GLU 1 36 6.392 4.318 0.582 1.00 0.00 H new ATOM 0 HB2 GLU 1 36 7.276 5.285 2.534 1.00 0.00 H new ATOM 0 HB3 GLU 1 36 8.691 4.765 1.640 1.00 0.00 H new ATOM 0 HG2 GLU 1 36 9.052 7.068 0.832 1.00 0.00 H new ATOM 0 HG3 GLU 1 36 7.605 7.603 1.663 1.00 0.00 H new ATOM 229 N LYS 1 37 6.482 7.361 -0.602 1.00 0.00 N ATOM 230 CA LYS 1 37 5.660 8.525 -0.916 1.00 0.00 C ATOM 231 C LYS 1 37 4.552 8.146 -1.890 1.00 0.00 C ATOM 232 O LYS 1 37 3.380 8.455 -1.667 1.00 0.00 O ATOM 233 CB LYS 1 37 6.512 9.648 -1.514 1.00 0.00 C ATOM 234 CG LYS 1 37 7.920 9.719 -0.949 1.00 0.00 C ATOM 235 CD LYS 1 37 8.608 11.021 -1.326 1.00 0.00 C ATOM 236 CE LYS 1 37 7.874 12.224 -0.755 1.00 0.00 C ATOM 237 NZ LYS 1 37 8.742 13.433 -0.707 1.00 0.00 N ATOM 0 H LYS 1 37 7.413 7.377 -1.018 1.00 0.00 H new ATOM 0 HA LYS 1 37 5.213 8.882 0.012 1.00 0.00 H new ATOM 0 HB2 LYS 1 37 6.571 9.511 -2.594 1.00 0.00 H new ATOM 0 HB3 LYS 1 37 6.013 10.601 -1.341 1.00 0.00 H new ATOM 0 HG2 LYS 1 37 7.882 9.628 0.137 1.00 0.00 H new ATOM 0 HG3 LYS 1 37 8.505 8.877 -1.320 1.00 0.00 H new ATOM 0 HD2 LYS 1 37 9.634 11.011 -0.959 1.00 0.00 H new ATOM 0 HD3 LYS 1 37 8.659 11.106 -2.411 1.00 0.00 H new ATOM 0 HE2 LYS 1 37 6.993 12.433 -1.362 1.00 0.00 H new ATOM 0 HE3 LYS 1 37 7.521 11.991 0.249 1.00 0.00 H new ATOM 0 HZ1 LYS 1 37 8.205 14.231 -0.312 1.00 0.00 H new ATOM 0 HZ2 LYS 1 37 9.570 13.242 -0.107 1.00 0.00 H new ATOM 0 HZ3 LYS 1 37 9.059 13.671 -1.669 1.00 0.00 H new ATOM 251 N ASN 1 38 4.928 7.462 -2.967 1.00 0.00 N ATOM 252 CA ASN 1 38 3.962 7.031 -3.969 1.00 0.00 C ATOM 253 C ASN 1 38 2.905 6.142 -3.325 1.00 0.00 C ATOM 254 O ASN 1 38 1.704 6.329 -3.531 1.00 0.00 O ATOM 255 CB ASN 1 38 4.669 6.282 -5.100 1.00 0.00 C ATOM 256 CG ASN 1 38 4.335 6.849 -6.466 1.00 0.00 C ATOM 257 OD1 ASN 1 38 3.716 6.032 -7.311 1.00 0.00 O flip ATOM 258 ND2 ASN 1 38 4.628 8.008 -6.758 1.00 0.00 N flip ATOM 0 H ASN 1 38 5.892 7.196 -3.167 1.00 0.00 H new ATOM 0 HA ASN 1 38 3.474 7.910 -4.389 1.00 0.00 H new ATOM 0 HB2 ASN 1 38 5.747 6.328 -4.944 1.00 0.00 H new ATOM 0 HB3 ASN 1 38 4.387 5.230 -5.067 1.00 0.00 H new ATOM 0 HD21 ASN 1 38 5.104 8.601 -6.078 1.00 0.00 H new ATOM 0 HD22 ASN 1 38 4.395 8.376 -7.680 1.00 0.00 H new ATOM 265 N VAL 1 39 3.365 5.183 -2.527 1.00 0.00 N ATOM 266 CA VAL 1 39 2.466 4.275 -1.834 1.00 0.00 C ATOM 267 C VAL 1 39 1.523 5.055 -0.928 1.00 0.00 C ATOM 268 O VAL 1 39 0.346 4.718 -0.802 1.00 0.00 O ATOM 269 CB VAL 1 39 3.245 3.244 -0.996 1.00 0.00 C ATOM 270 CG1 VAL 1 39 2.307 2.178 -0.451 1.00 0.00 C ATOM 271 CG2 VAL 1 39 4.359 2.617 -1.826 1.00 0.00 C ATOM 0 H VAL 1 39 4.355 5.017 -2.346 1.00 0.00 H new ATOM 0 HA VAL 1 39 1.890 3.741 -2.590 1.00 0.00 H new ATOM 0 HB VAL 1 39 3.699 3.758 -0.149 1.00 0.00 H new ATOM 0 HG11 VAL 1 39 2.876 1.459 0.138 1.00 0.00 H new ATOM 0 HG12 VAL 1 39 1.551 2.646 0.180 1.00 0.00 H new ATOM 0 HG13 VAL 1 39 1.820 1.664 -1.280 1.00 0.00 H new ATOM 0 HG21 VAL 1 39 4.900 1.891 -1.219 1.00 0.00 H new ATOM 0 HG22 VAL 1 39 3.929 2.117 -2.694 1.00 0.00 H new ATOM 0 HG23 VAL 1 39 5.046 3.395 -2.160 1.00 0.00 H new ATOM 281 N ARG 1 40 2.046 6.114 -0.313 1.00 0.00 N ATOM 282 CA ARG 1 40 1.245 6.957 0.566 1.00 0.00 C ATOM 283 C ARG 1 40 0.048 7.512 -0.197 1.00 0.00 C ATOM 284 O ARG 1 40 -1.086 7.467 0.281 1.00 0.00 O ATOM 285 CB ARG 1 40 2.089 8.103 1.127 1.00 0.00 C ATOM 286 CG ARG 1 40 1.661 8.550 2.515 1.00 0.00 C ATOM 287 CD ARG 1 40 2.667 9.512 3.126 1.00 0.00 C ATOM 288 NE ARG 1 40 2.198 10.063 4.395 1.00 0.00 N ATOM 289 CZ ARG 1 40 1.216 10.956 4.498 1.00 0.00 C ATOM 290 NH1 ARG 1 40 0.599 11.402 3.412 1.00 0.00 N ATOM 291 NH2 ARG 1 40 0.851 11.404 5.692 1.00 0.00 N ATOM 0 H ARG 1 40 3.019 6.406 -0.408 1.00 0.00 H new ATOM 0 HA ARG 1 40 0.888 6.352 1.399 1.00 0.00 H new ATOM 0 HB2 ARG 1 40 3.133 7.792 1.160 1.00 0.00 H new ATOM 0 HB3 ARG 1 40 2.031 8.953 0.447 1.00 0.00 H new ATOM 0 HG2 ARG 1 40 0.684 9.031 2.458 1.00 0.00 H new ATOM 0 HG3 ARG 1 40 1.550 7.679 3.161 1.00 0.00 H new ATOM 0 HD2 ARG 1 40 3.613 8.995 3.283 1.00 0.00 H new ATOM 0 HD3 ARG 1 40 2.861 10.326 2.427 1.00 0.00 H new ATOM 0 HE ARG 1 40 2.649 9.745 5.253 1.00 0.00 H new ATOM 0 HH11 ARG 1 40 0.876 11.061 2.492 1.00 0.00 H new ATOM 0 HH12 ARG 1 40 -0.153 12.086 3.497 1.00 0.00 H new ATOM 0 HH21 ARG 1 40 1.323 11.064 6.530 1.00 0.00 H new ATOM 0 HH22 ARG 1 40 0.099 12.088 5.772 1.00 0.00 H new ATOM 305 N ALA 1 41 0.305 8.012 -1.403 1.00 0.00 N ATOM 306 CA ALA 1 41 -0.760 8.546 -2.240 1.00 0.00 C ATOM 307 C ALA 1 41 -1.807 7.468 -2.480 1.00 0.00 C ATOM 308 O ALA 1 41 -3.012 7.720 -2.410 1.00 0.00 O ATOM 309 CB ALA 1 41 -0.199 9.052 -3.561 1.00 0.00 C ATOM 0 H ALA 1 41 1.236 8.058 -1.818 1.00 0.00 H new ATOM 0 HA ALA 1 41 -1.227 9.388 -1.729 1.00 0.00 H new ATOM 0 HB1 ALA 1 41 -1.010 9.447 -4.173 1.00 0.00 H new ATOM 0 HB2 ALA 1 41 0.529 9.841 -3.369 1.00 0.00 H new ATOM 0 HB3 ALA 1 41 0.287 8.231 -4.088 1.00 0.00 H new ATOM 315 N GLN 1 42 -1.331 6.253 -2.738 1.00 0.00 N ATOM 316 CA GLN 1 42 -2.216 5.121 -2.961 1.00 0.00 C ATOM 317 C GLN 1 42 -2.937 4.764 -1.667 1.00 0.00 C ATOM 318 O GLN 1 42 -4.096 4.353 -1.682 1.00 0.00 O ATOM 319 CB GLN 1 42 -1.424 3.916 -3.474 1.00 0.00 C ATOM 320 CG GLN 1 42 -1.054 4.013 -4.945 1.00 0.00 C ATOM 321 CD GLN 1 42 0.318 4.620 -5.163 1.00 0.00 C ATOM 322 OE1 GLN 1 42 0.442 5.764 -5.599 1.00 0.00 O ATOM 323 NE2 GLN 1 42 1.359 3.853 -4.860 1.00 0.00 N ATOM 0 H GLN 1 42 -0.337 6.030 -2.797 1.00 0.00 H new ATOM 0 HA GLN 1 42 -2.954 5.396 -3.715 1.00 0.00 H new ATOM 0 HB2 GLN 1 42 -0.513 3.813 -2.885 1.00 0.00 H new ATOM 0 HB3 GLN 1 42 -2.011 3.011 -3.314 1.00 0.00 H new ATOM 0 HG2 GLN 1 42 -1.082 3.018 -5.389 1.00 0.00 H new ATOM 0 HG3 GLN 1 42 -1.800 4.615 -5.464 1.00 0.00 H new ATOM 0 HE21 GLN 1 42 1.210 2.910 -4.501 1.00 0.00 H new ATOM 0 HE22 GLN 1 42 2.307 4.207 -4.986 1.00 0.00 H new ATOM 332 N LEU 1 43 -2.242 4.941 -0.544 1.00 0.00 N ATOM 333 CA LEU 1 43 -2.815 4.654 0.767 1.00 0.00 C ATOM 334 C LEU 1 43 -4.045 5.516 1.013 1.00 0.00 C ATOM 335 O LEU 1 43 -4.988 5.097 1.684 1.00 0.00 O ATOM 336 CB LEU 1 43 -1.782 4.900 1.869 1.00 0.00 C ATOM 337 CG LEU 1 43 -0.634 3.886 1.948 1.00 0.00 C ATOM 338 CD1 LEU 1 43 -0.174 3.738 3.385 1.00 0.00 C ATOM 339 CD2 LEU 1 43 -1.049 2.532 1.388 1.00 0.00 C ATOM 0 H LEU 1 43 -1.281 5.282 -0.518 1.00 0.00 H new ATOM 0 HA LEU 1 43 -3.110 3.605 0.786 1.00 0.00 H new ATOM 0 HB2 LEU 1 43 -1.355 5.893 1.725 1.00 0.00 H new ATOM 0 HB3 LEU 1 43 -2.298 4.911 2.829 1.00 0.00 H new ATOM 0 HG LEU 1 43 0.190 4.260 1.341 1.00 0.00 H new ATOM 0 HD11 LEU 1 43 0.641 3.016 3.434 1.00 0.00 H new ATOM 0 HD12 LEU 1 43 0.172 4.702 3.757 1.00 0.00 H new ATOM 0 HD13 LEU 1 43 -1.004 3.389 3.999 1.00 0.00 H new ATOM 0 HD21 LEU 1 43 -0.212 1.837 1.459 1.00 0.00 H new ATOM 0 HD22 LEU 1 43 -1.892 2.145 1.960 1.00 0.00 H new ATOM 0 HD23 LEU 1 43 -1.340 2.644 0.344 1.00 0.00 H new ATOM 351 N SER 1 44 -4.027 6.726 0.464 1.00 0.00 N ATOM 352 CA SER 1 44 -5.140 7.653 0.623 1.00 0.00 C ATOM 353 C SER 1 44 -6.255 7.353 -0.376 1.00 0.00 C ATOM 354 O SER 1 44 -7.433 7.550 -0.079 1.00 0.00 O ATOM 355 CB SER 1 44 -4.658 9.094 0.446 1.00 0.00 C ATOM 356 OG SER 1 44 -5.603 10.015 0.964 1.00 0.00 O ATOM 0 H SER 1 44 -3.254 7.087 -0.095 1.00 0.00 H new ATOM 0 HA SER 1 44 -5.539 7.528 1.630 1.00 0.00 H new ATOM 0 HB2 SER 1 44 -3.702 9.226 0.952 1.00 0.00 H new ATOM 0 HB3 SER 1 44 -4.489 9.297 -0.612 1.00 0.00 H new ATOM 0 HG SER 1 44 -5.271 10.929 0.840 1.00 0.00 H new ATOM 362 N THR 1 45 -5.880 6.885 -1.564 1.00 0.00 N ATOM 363 CA THR 1 45 -6.862 6.573 -2.600 1.00 0.00 C ATOM 364 C THR 1 45 -7.514 5.204 -2.377 1.00 0.00 C ATOM 365 O THR 1 45 -8.507 4.875 -3.026 1.00 0.00 O ATOM 366 CB THR 1 45 -6.214 6.640 -3.989 1.00 0.00 C ATOM 367 OG1 THR 1 45 -7.193 6.876 -4.985 1.00 0.00 O ATOM 368 CG2 THR 1 45 -5.463 5.384 -4.378 1.00 0.00 C ATOM 0 H THR 1 45 -4.911 6.714 -1.832 1.00 0.00 H new ATOM 0 HA THR 1 45 -7.651 7.323 -2.540 1.00 0.00 H new ATOM 0 HB THR 1 45 -5.498 7.459 -3.926 1.00 0.00 H new ATOM 0 HG1 THR 1 45 -7.991 6.340 -4.793 1.00 0.00 H new ATOM 0 HG21 THR 1 45 -5.034 5.510 -5.372 1.00 0.00 H new ATOM 0 HG22 THR 1 45 -4.665 5.200 -3.659 1.00 0.00 H new ATOM 0 HG23 THR 1 45 -6.149 4.537 -4.383 1.00 0.00 H new ATOM 376 N ILE 1 46 -6.960 4.409 -1.461 1.00 0.00 N ATOM 377 CA ILE 1 46 -7.509 3.083 -1.171 1.00 0.00 C ATOM 378 C ILE 1 46 -9.016 3.149 -0.926 1.00 0.00 C ATOM 379 O ILE 1 46 -9.563 4.215 -0.643 1.00 0.00 O ATOM 380 CB ILE 1 46 -6.830 2.437 0.056 1.00 0.00 C ATOM 381 CG1 ILE 1 46 -5.308 2.477 -0.101 1.00 0.00 C ATOM 382 CG2 ILE 1 46 -7.315 1.003 0.239 1.00 0.00 C ATOM 383 CD1 ILE 1 46 -4.563 1.644 0.918 1.00 0.00 C ATOM 0 H ILE 1 46 -6.138 4.657 -0.911 1.00 0.00 H new ATOM 0 HA ILE 1 46 -7.310 2.468 -2.049 1.00 0.00 H new ATOM 0 HB ILE 1 46 -7.101 3.005 0.946 1.00 0.00 H new ATOM 0 HG12 ILE 1 46 -5.047 2.129 -1.100 1.00 0.00 H new ATOM 0 HG13 ILE 1 46 -4.972 3.511 -0.025 1.00 0.00 H new ATOM 0 HG21 ILE 1 46 -6.827 0.562 1.108 1.00 0.00 H new ATOM 0 HG22 ILE 1 46 -8.395 1.000 0.389 1.00 0.00 H new ATOM 0 HG23 ILE 1 46 -7.071 0.420 -0.649 1.00 0.00 H new ATOM 0 HD11 ILE 1 46 -3.491 1.725 0.740 1.00 0.00 H new ATOM 0 HD12 ILE 1 46 -4.792 2.005 1.921 1.00 0.00 H new ATOM 0 HD13 ILE 1 46 -4.868 0.601 0.829 1.00 0.00 H new ATOM 395 N GLU 1 47 -9.679 2.001 -1.035 1.00 0.00 N ATOM 396 CA GLU 1 47 -11.121 1.918 -0.825 1.00 0.00 C ATOM 397 C GLU 1 47 -11.490 2.076 0.654 1.00 0.00 C ATOM 398 O GLU 1 47 -12.665 2.013 1.014 1.00 0.00 O ATOM 399 CB GLU 1 47 -11.653 0.584 -1.350 1.00 0.00 C ATOM 400 CG GLU 1 47 -11.182 0.253 -2.757 1.00 0.00 C ATOM 401 CD GLU 1 47 -12.249 0.507 -3.804 1.00 0.00 C ATOM 402 OE1 GLU 1 47 -12.540 1.689 -4.080 1.00 0.00 O ATOM 403 OE2 GLU 1 47 -12.795 -0.477 -4.347 1.00 0.00 O ATOM 0 H GLU 1 47 -9.238 1.112 -1.269 1.00 0.00 H new ATOM 0 HA GLU 1 47 -11.581 2.739 -1.375 1.00 0.00 H new ATOM 0 HB2 GLU 1 47 -11.342 -0.213 -0.675 1.00 0.00 H new ATOM 0 HB3 GLU 1 47 -12.743 0.606 -1.336 1.00 0.00 H new ATOM 0 HG2 GLU 1 47 -10.300 0.849 -2.991 1.00 0.00 H new ATOM 0 HG3 GLU 1 47 -10.880 -0.793 -2.798 1.00 0.00 H new ATOM 410 N SER 1 48 -10.486 2.274 1.509 1.00 0.00 N ATOM 411 CA SER 1 48 -10.711 2.432 2.945 1.00 0.00 C ATOM 412 C SER 1 48 -11.505 3.700 3.278 1.00 0.00 C ATOM 413 O SER 1 48 -11.630 4.066 4.446 1.00 0.00 O ATOM 414 CB SER 1 48 -9.372 2.452 3.685 1.00 0.00 C ATOM 415 OG SER 1 48 -8.316 2.830 2.819 1.00 0.00 O ATOM 0 H SER 1 48 -9.506 2.329 1.230 1.00 0.00 H new ATOM 0 HA SER 1 48 -11.306 1.579 3.272 1.00 0.00 H new ATOM 0 HB2 SER 1 48 -9.426 3.148 4.523 1.00 0.00 H new ATOM 0 HB3 SER 1 48 -9.169 1.466 4.102 1.00 0.00 H new ATOM 0 HG SER 1 48 -7.472 2.837 3.316 1.00 0.00 H new ATOM 421 N ASP 1 49 -12.050 4.363 2.260 1.00 0.00 N ATOM 422 CA ASP 1 49 -12.836 5.578 2.461 1.00 0.00 C ATOM 423 C ASP 1 49 -14.222 5.258 3.027 1.00 0.00 C ATOM 424 O ASP 1 49 -15.200 5.930 2.697 1.00 0.00 O ATOM 425 CB ASP 1 49 -12.977 6.340 1.142 1.00 0.00 C ATOM 426 CG ASP 1 49 -13.615 7.703 1.327 1.00 0.00 C ATOM 427 OD1 ASP 1 49 -12.904 8.639 1.751 1.00 0.00 O ATOM 428 OD2 ASP 1 49 -14.825 7.836 1.047 1.00 0.00 O ATOM 0 H ASP 1 49 -11.961 4.078 1.285 1.00 0.00 H new ATOM 0 HA ASP 1 49 -12.309 6.201 3.184 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -11.993 6.461 0.689 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -13.578 5.752 0.448 1.00 0.00 H new ATOM 433 N GLU 1 50 -14.299 4.221 3.868 1.00 0.00 N ATOM 434 CA GLU 1 50 -15.555 3.787 4.480 1.00 0.00 C ATOM 435 C GLU 1 50 -16.275 2.790 3.580 1.00 0.00 C ATOM 436 O GLU 1 50 -17.313 3.096 2.993 1.00 0.00 O ATOM 437 CB GLU 1 50 -16.466 4.979 4.795 1.00 0.00 C ATOM 438 CG GLU 1 50 -17.142 4.877 6.151 1.00 0.00 C ATOM 439 CD GLU 1 50 -17.777 6.183 6.587 1.00 0.00 C ATOM 440 OE1 GLU 1 50 -17.141 7.242 6.405 1.00 0.00 O ATOM 441 OE2 GLU 1 50 -18.911 6.146 7.109 1.00 0.00 O ATOM 0 H GLU 1 50 -13.492 3.661 4.142 1.00 0.00 H new ATOM 0 HA GLU 1 50 -15.311 3.295 5.421 1.00 0.00 H new ATOM 0 HB2 GLU 1 50 -15.878 5.896 4.758 1.00 0.00 H new ATOM 0 HB3 GLU 1 50 -17.230 5.058 4.021 1.00 0.00 H new ATOM 0 HG2 GLU 1 50 -17.906 4.101 6.114 1.00 0.00 H new ATOM 0 HG3 GLU 1 50 -16.409 4.568 6.896 1.00 0.00 H new ATOM 448 N VAL 1 51 -15.710 1.590 3.480 1.00 0.00 N ATOM 449 CA VAL 1 51 -16.285 0.534 2.657 1.00 0.00 C ATOM 450 C VAL 1 51 -16.265 -0.805 3.395 1.00 0.00 C ATOM 451 O VAL 1 51 -16.030 -0.852 4.602 1.00 0.00 O ATOM 452 CB VAL 1 51 -15.534 0.399 1.315 1.00 0.00 C ATOM 453 CG1 VAL 1 51 -15.393 1.757 0.647 1.00 0.00 C ATOM 454 CG2 VAL 1 51 -14.169 -0.242 1.517 1.00 0.00 C ATOM 0 H VAL 1 51 -14.851 1.325 3.962 1.00 0.00 H new ATOM 0 HA VAL 1 51 -17.319 0.810 2.451 1.00 0.00 H new ATOM 0 HB VAL 1 51 -16.118 -0.250 0.662 1.00 0.00 H new ATOM 0 HG11 VAL 1 51 -14.861 1.644 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL 1 51 -16.382 2.175 0.459 1.00 0.00 H new ATOM 0 HG13 VAL 1 51 -14.834 2.427 1.300 1.00 0.00 H new ATOM 0 HG21 VAL 1 51 -13.661 -0.326 0.556 1.00 0.00 H new ATOM 0 HG22 VAL 1 51 -13.574 0.375 2.190 1.00 0.00 H new ATOM 0 HG23 VAL 1 51 -14.294 -1.235 1.949 1.00 0.00 H new ATOM 464 N THR 1 52 -16.511 -1.888 2.664 1.00 0.00 N ATOM 465 CA THR 1 52 -16.516 -3.223 3.253 1.00 0.00 C ATOM 466 C THR 1 52 -15.299 -4.022 2.789 1.00 0.00 C ATOM 467 O THR 1 52 -15.306 -4.601 1.703 1.00 0.00 O ATOM 468 CB THR 1 52 -17.800 -3.964 2.875 1.00 0.00 C ATOM 469 OG1 THR 1 52 -17.813 -5.264 3.437 1.00 0.00 O ATOM 470 CG2 THR 1 52 -17.990 -4.108 1.380 1.00 0.00 C ATOM 0 H THR 1 52 -16.709 -1.867 1.664 1.00 0.00 H new ATOM 0 HA THR 1 52 -16.471 -3.118 4.337 1.00 0.00 H new ATOM 0 HB THR 1 52 -18.612 -3.355 3.271 1.00 0.00 H new ATOM 0 HG1 THR 1 52 -18.643 -5.721 3.185 1.00 0.00 H new ATOM 0 HG21 THR 1 52 -18.919 -4.642 1.181 1.00 0.00 H new ATOM 0 HG22 THR 1 52 -18.035 -3.120 0.922 1.00 0.00 H new ATOM 0 HG23 THR 1 52 -17.153 -4.666 0.959 1.00 0.00 H new ATOM 478 N PRO 1 53 -14.229 -4.061 3.605 1.00 0.00 N ATOM 479 CA PRO 1 53 -13.003 -4.790 3.261 1.00 0.00 C ATOM 480 C PRO 1 53 -13.267 -6.249 2.908 1.00 0.00 C ATOM 481 O PRO 1 53 -13.728 -7.029 3.742 1.00 0.00 O ATOM 482 CB PRO 1 53 -12.159 -4.696 4.535 1.00 0.00 C ATOM 483 CG PRO 1 53 -12.659 -3.480 5.234 1.00 0.00 C ATOM 484 CD PRO 1 53 -14.125 -3.394 4.917 1.00 0.00 C ATOM 0 HA PRO 1 53 -12.520 -4.369 2.379 1.00 0.00 H new ATOM 0 HB2 PRO 1 53 -12.277 -5.585 5.154 1.00 0.00 H new ATOM 0 HB3 PRO 1 53 -11.098 -4.610 4.301 1.00 0.00 H new ATOM 0 HG2 PRO 1 53 -12.496 -3.553 6.309 1.00 0.00 H new ATOM 0 HG3 PRO 1 53 -12.133 -2.589 4.892 1.00 0.00 H new ATOM 0 HD2 PRO 1 53 -14.730 -3.896 5.672 1.00 0.00 H new ATOM 0 HD3 PRO 1 53 -14.466 -2.360 4.871 1.00 0.00 H new ATOM 492 N ASP 1 54 -12.964 -6.611 1.666 1.00 0.00 N ATOM 493 CA ASP 1 54 -13.155 -7.974 1.191 1.00 0.00 C ATOM 494 C ASP 1 54 -12.090 -8.342 0.165 1.00 0.00 C ATOM 495 O ASP 1 54 -11.202 -7.544 -0.133 1.00 0.00 O ATOM 496 CB ASP 1 54 -14.550 -8.139 0.584 1.00 0.00 C ATOM 497 CG ASP 1 54 -15.578 -8.577 1.609 1.00 0.00 C ATOM 498 OD1 ASP 1 54 -15.788 -7.837 2.593 1.00 0.00 O ATOM 499 OD2 ASP 1 54 -16.174 -9.659 1.426 1.00 0.00 O ATOM 0 H ASP 1 54 -12.583 -5.974 0.967 1.00 0.00 H new ATOM 0 HA ASP 1 54 -13.061 -8.647 2.044 1.00 0.00 H new ATOM 0 HB2 ASP 1 54 -14.864 -7.195 0.139 1.00 0.00 H new ATOM 0 HB3 ASP 1 54 -14.508 -8.872 -0.221 1.00 0.00 H new ATOM 504 N ARG 1 55 -12.186 -9.554 -0.375 1.00 0.00 N ATOM 505 CA ARG 1 55 -11.229 -10.028 -1.371 1.00 0.00 C ATOM 506 C ARG 1 55 -10.992 -8.975 -2.451 1.00 0.00 C ATOM 507 O ARG 1 55 -9.917 -8.916 -3.049 1.00 0.00 O ATOM 508 CB ARG 1 55 -11.727 -11.327 -2.009 1.00 0.00 C ATOM 509 CG ARG 1 55 -13.005 -11.158 -2.816 1.00 0.00 C ATOM 510 CD ARG 1 55 -12.764 -11.386 -4.300 1.00 0.00 C ATOM 511 NE ARG 1 55 -12.867 -12.798 -4.661 1.00 0.00 N ATOM 512 CZ ARG 1 55 -12.373 -13.314 -5.784 1.00 0.00 C ATOM 513 NH1 ARG 1 55 -11.742 -12.539 -6.658 1.00 0.00 N ATOM 514 NH2 ARG 1 55 -12.510 -14.609 -6.035 1.00 0.00 N ATOM 0 H ARG 1 55 -12.917 -10.226 -0.140 1.00 0.00 H new ATOM 0 HA ARG 1 55 -10.283 -10.218 -0.864 1.00 0.00 H new ATOM 0 HB2 ARG 1 55 -10.947 -11.725 -2.658 1.00 0.00 H new ATOM 0 HB3 ARG 1 55 -11.897 -12.065 -1.225 1.00 0.00 H new ATOM 0 HG2 ARG 1 55 -13.758 -11.860 -2.457 1.00 0.00 H new ATOM 0 HG3 ARG 1 55 -13.404 -10.155 -2.661 1.00 0.00 H new ATOM 0 HD2 ARG 1 55 -13.488 -10.811 -4.877 1.00 0.00 H new ATOM 0 HD3 ARG 1 55 -11.775 -11.015 -4.568 1.00 0.00 H new ATOM 0 HE ARG 1 55 -13.346 -13.425 -4.014 1.00 0.00 H new ATOM 0 HH11 ARG 1 55 -11.634 -11.542 -6.471 1.00 0.00 H new ATOM 0 HH12 ARG 1 55 -11.366 -12.940 -7.517 1.00 0.00 H new ATOM 0 HH21 ARG 1 55 -12.994 -15.209 -5.367 1.00 0.00 H new ATOM 0 HH22 ARG 1 55 -12.131 -15.005 -6.896 1.00 0.00 H new ATOM 528 N ARG 1 56 -12.000 -8.144 -2.692 1.00 0.00 N ATOM 529 CA ARG 1 56 -11.896 -7.090 -3.697 1.00 0.00 C ATOM 530 C ARG 1 56 -11.110 -5.902 -3.157 1.00 0.00 C ATOM 531 O ARG 1 56 -10.301 -5.307 -3.868 1.00 0.00 O ATOM 532 CB ARG 1 56 -13.285 -6.634 -4.153 1.00 0.00 C ATOM 533 CG ARG 1 56 -14.300 -6.518 -3.025 1.00 0.00 C ATOM 534 CD ARG 1 56 -15.203 -7.739 -2.957 1.00 0.00 C ATOM 535 NE ARG 1 56 -16.618 -7.377 -3.006 1.00 0.00 N ATOM 536 CZ ARG 1 56 -17.266 -7.068 -4.127 1.00 0.00 C ATOM 537 NH1 ARG 1 56 -16.631 -7.076 -5.293 1.00 0.00 N ATOM 538 NH2 ARG 1 56 -18.553 -6.751 -4.083 1.00 0.00 N ATOM 0 H ARG 1 56 -12.897 -8.179 -2.207 1.00 0.00 H new ATOM 0 HA ARG 1 56 -11.363 -7.500 -4.555 1.00 0.00 H new ATOM 0 HB2 ARG 1 56 -13.194 -5.667 -4.647 1.00 0.00 H new ATOM 0 HB3 ARG 1 56 -13.661 -7.337 -4.896 1.00 0.00 H new ATOM 0 HG2 ARG 1 56 -13.778 -6.398 -2.076 1.00 0.00 H new ATOM 0 HG3 ARG 1 56 -14.906 -5.624 -3.171 1.00 0.00 H new ATOM 0 HD2 ARG 1 56 -14.971 -8.408 -3.786 1.00 0.00 H new ATOM 0 HD3 ARG 1 56 -15.001 -8.289 -2.038 1.00 0.00 H new ATOM 0 HE ARG 1 56 -17.140 -7.360 -2.130 1.00 0.00 H new ATOM 0 HH11 ARG 1 56 -15.641 -7.320 -5.333 1.00 0.00 H new ATOM 0 HH12 ARG 1 56 -17.133 -6.838 -6.149 1.00 0.00 H new ATOM 0 HH21 ARG 1 56 -19.046 -6.744 -3.190 1.00 0.00 H new ATOM 0 HH22 ARG 1 56 -19.050 -6.514 -4.942 1.00 0.00 H new ATOM 552 N PHE 1 57 -11.337 -5.573 -1.890 1.00 0.00 N ATOM 553 CA PHE 1 57 -10.631 -4.469 -1.254 1.00 0.00 C ATOM 554 C PHE 1 57 -9.149 -4.793 -1.206 1.00 0.00 C ATOM 555 O PHE 1 57 -8.301 -3.969 -1.548 1.00 0.00 O ATOM 556 CB PHE 1 57 -11.170 -4.242 0.158 1.00 0.00 C ATOM 557 CG PHE 1 57 -10.673 -2.985 0.813 1.00 0.00 C ATOM 558 CD1 PHE 1 57 -9.333 -2.835 1.135 1.00 0.00 C ATOM 559 CD2 PHE 1 57 -11.550 -1.955 1.115 1.00 0.00 C ATOM 560 CE1 PHE 1 57 -8.878 -1.682 1.745 1.00 0.00 C ATOM 561 CE2 PHE 1 57 -11.100 -0.800 1.726 1.00 0.00 C ATOM 562 CZ PHE 1 57 -9.762 -0.663 2.040 1.00 0.00 C ATOM 0 H PHE 1 57 -12.003 -6.054 -1.285 1.00 0.00 H new ATOM 0 HA PHE 1 57 -10.785 -3.556 -1.830 1.00 0.00 H new ATOM 0 HB2 PHE 1 57 -12.259 -4.211 0.118 1.00 0.00 H new ATOM 0 HB3 PHE 1 57 -10.897 -5.095 0.780 1.00 0.00 H new ATOM 0 HD1 PHE 1 57 -8.637 -3.628 0.906 1.00 0.00 H new ATOM 0 HD2 PHE 1 57 -12.597 -2.056 0.870 1.00 0.00 H new ATOM 0 HE1 PHE 1 57 -7.832 -1.578 1.991 1.00 0.00 H new ATOM 0 HE2 PHE 1 57 -11.794 -0.005 1.958 1.00 0.00 H new ATOM 0 HZ PHE 1 57 -9.408 0.240 2.515 1.00 0.00 H new ATOM 572 N ARG 1 58 -8.854 -6.020 -0.791 1.00 0.00 N ATOM 573 CA ARG 1 58 -7.492 -6.504 -0.703 1.00 0.00 C ATOM 574 C ARG 1 58 -6.748 -6.295 -2.021 1.00 0.00 C ATOM 575 O ARG 1 58 -5.731 -5.604 -2.070 1.00 0.00 O ATOM 576 CB ARG 1 58 -7.525 -7.987 -0.348 1.00 0.00 C ATOM 577 CG ARG 1 58 -6.792 -8.320 0.933 1.00 0.00 C ATOM 578 CD ARG 1 58 -7.523 -7.777 2.151 1.00 0.00 C ATOM 579 NE ARG 1 58 -7.041 -8.378 3.392 1.00 0.00 N ATOM 580 CZ ARG 1 58 -7.394 -9.590 3.814 1.00 0.00 C ATOM 581 NH1 ARG 1 58 -8.231 -10.332 3.099 1.00 0.00 N ATOM 582 NH2 ARG 1 58 -6.910 -10.062 4.955 1.00 0.00 N ATOM 0 H ARG 1 58 -9.557 -6.703 -0.507 1.00 0.00 H new ATOM 0 HA ARG 1 58 -6.962 -5.945 0.068 1.00 0.00 H new ATOM 0 HB2 ARG 1 58 -8.563 -8.307 -0.256 1.00 0.00 H new ATOM 0 HB3 ARG 1 58 -7.086 -8.558 -1.167 1.00 0.00 H new ATOM 0 HG2 ARG 1 58 -6.687 -9.401 1.023 1.00 0.00 H new ATOM 0 HG3 ARG 1 58 -5.785 -7.904 0.896 1.00 0.00 H new ATOM 0 HD2 ARG 1 58 -7.395 -6.696 2.198 1.00 0.00 H new ATOM 0 HD3 ARG 1 58 -8.591 -7.967 2.047 1.00 0.00 H new ATOM 0 HE ARG 1 58 -6.396 -7.837 3.969 1.00 0.00 H new ATOM 0 HH11 ARG 1 58 -8.607 -9.974 2.221 1.00 0.00 H new ATOM 0 HH12 ARG 1 58 -8.498 -11.260 3.428 1.00 0.00 H new ATOM 0 HH21 ARG 1 58 -6.267 -9.496 5.509 1.00 0.00 H new ATOM 0 HH22 ARG 1 58 -7.181 -10.991 5.278 1.00 0.00 H new ATOM 596 N ALA 1 59 -7.265 -6.899 -3.087 1.00 0.00 N ATOM 597 CA ALA 1 59 -6.654 -6.786 -4.408 1.00 0.00 C ATOM 598 C ALA 1 59 -6.496 -5.326 -4.822 1.00 0.00 C ATOM 599 O ALA 1 59 -5.460 -4.932 -5.356 1.00 0.00 O ATOM 600 CB ALA 1 59 -7.481 -7.541 -5.437 1.00 0.00 C ATOM 0 H ALA 1 59 -8.108 -7.473 -3.062 1.00 0.00 H new ATOM 0 HA ALA 1 59 -5.660 -7.230 -4.358 1.00 0.00 H new ATOM 0 HB1 ALA 1 59 -7.014 -7.449 -6.418 1.00 0.00 H new ATOM 0 HB2 ALA 1 59 -7.535 -8.593 -5.159 1.00 0.00 H new ATOM 0 HB3 ALA 1 59 -8.487 -7.123 -5.473 1.00 0.00 H new ATOM 606 N ARG 1 60 -7.530 -4.528 -4.573 1.00 0.00 N ATOM 607 CA ARG 1 60 -7.503 -3.111 -4.921 1.00 0.00 C ATOM 608 C ARG 1 60 -6.292 -2.424 -4.297 1.00 0.00 C ATOM 609 O ARG 1 60 -5.579 -1.674 -4.963 1.00 0.00 O ATOM 610 CB ARG 1 60 -8.793 -2.426 -4.459 1.00 0.00 C ATOM 611 CG ARG 1 60 -9.657 -1.925 -5.605 1.00 0.00 C ATOM 612 CD ARG 1 60 -10.721 -2.940 -5.987 1.00 0.00 C ATOM 613 NE ARG 1 60 -10.908 -3.020 -7.434 1.00 0.00 N ATOM 614 CZ ARG 1 60 -11.590 -2.123 -8.143 1.00 0.00 C ATOM 615 NH1 ARG 1 60 -12.151 -1.080 -7.544 1.00 0.00 N ATOM 616 NH2 ARG 1 60 -11.712 -2.271 -9.455 1.00 0.00 N ATOM 0 H ARG 1 60 -8.396 -4.838 -4.132 1.00 0.00 H new ATOM 0 HA ARG 1 60 -7.427 -3.027 -6.005 1.00 0.00 H new ATOM 0 HB2 ARG 1 60 -9.372 -3.127 -3.857 1.00 0.00 H new ATOM 0 HB3 ARG 1 60 -8.538 -1.586 -3.813 1.00 0.00 H new ATOM 0 HG2 ARG 1 60 -10.134 -0.987 -5.319 1.00 0.00 H new ATOM 0 HG3 ARG 1 60 -9.028 -1.713 -6.470 1.00 0.00 H new ATOM 0 HD2 ARG 1 60 -10.441 -3.921 -5.603 1.00 0.00 H new ATOM 0 HD3 ARG 1 60 -11.665 -2.671 -5.514 1.00 0.00 H new ATOM 0 HE ARG 1 60 -10.492 -3.809 -7.929 1.00 0.00 H new ATOM 0 HH11 ARG 1 60 -12.061 -0.962 -6.535 1.00 0.00 H new ATOM 0 HH12 ARG 1 60 -12.672 -0.396 -8.093 1.00 0.00 H new ATOM 0 HH21 ARG 1 60 -11.284 -3.071 -9.920 1.00 0.00 H new ATOM 0 HH22 ARG 1 60 -12.234 -1.584 -9.999 1.00 0.00 H new ATOM 630 N VAL 1 61 -6.062 -2.694 -3.016 1.00 0.00 N ATOM 631 CA VAL 1 61 -4.933 -2.109 -2.304 1.00 0.00 C ATOM 632 C VAL 1 61 -3.620 -2.688 -2.811 1.00 0.00 C ATOM 633 O VAL 1 61 -2.651 -1.961 -3.032 1.00 0.00 O ATOM 634 CB VAL 1 61 -5.031 -2.356 -0.787 1.00 0.00 C ATOM 635 CG1 VAL 1 61 -4.046 -1.473 -0.037 1.00 0.00 C ATOM 636 CG2 VAL 1 61 -6.451 -2.126 -0.295 1.00 0.00 C ATOM 0 H VAL 1 61 -6.642 -3.314 -2.451 1.00 0.00 H new ATOM 0 HA VAL 1 61 -4.961 -1.035 -2.490 1.00 0.00 H new ATOM 0 HB VAL 1 61 -4.771 -3.396 -0.591 1.00 0.00 H new ATOM 0 HG11 VAL 1 61 -4.130 -1.662 1.033 1.00 0.00 H new ATOM 0 HG12 VAL 1 61 -3.032 -1.698 -0.367 1.00 0.00 H new ATOM 0 HG13 VAL 1 61 -4.269 -0.425 -0.239 1.00 0.00 H new ATOM 0 HG21 VAL 1 61 -6.498 -2.306 0.779 1.00 0.00 H new ATOM 0 HG22 VAL 1 61 -6.746 -1.098 -0.504 1.00 0.00 H new ATOM 0 HG23 VAL 1 61 -7.129 -2.809 -0.807 1.00 0.00 H new ATOM 646 N ASP 1 62 -3.596 -4.004 -2.994 1.00 0.00 N ATOM 647 CA ASP 1 62 -2.403 -4.685 -3.476 1.00 0.00 C ATOM 648 C ASP 1 62 -2.028 -4.190 -4.867 1.00 0.00 C ATOM 649 O ASP 1 62 -0.854 -3.978 -5.167 1.00 0.00 O ATOM 650 CB ASP 1 62 -2.627 -6.199 -3.501 1.00 0.00 C ATOM 651 CG ASP 1 62 -1.394 -6.973 -3.077 1.00 0.00 C ATOM 652 OD1 ASP 1 62 -0.290 -6.636 -3.554 1.00 0.00 O ATOM 653 OD2 ASP 1 62 -1.533 -7.915 -2.269 1.00 0.00 O ATOM 0 H ASP 1 62 -4.390 -4.619 -2.815 1.00 0.00 H new ATOM 0 HA ASP 1 62 -1.583 -4.461 -2.794 1.00 0.00 H new ATOM 0 HB2 ASP 1 62 -3.456 -6.452 -2.840 1.00 0.00 H new ATOM 0 HB3 ASP 1 62 -2.916 -6.504 -4.507 1.00 0.00 H new ATOM 658 N ASP 1 63 -3.038 -4.004 -5.709 1.00 0.00 N ATOM 659 CA ASP 1 63 -2.821 -3.528 -7.068 1.00 0.00 C ATOM 660 C ASP 1 63 -2.387 -2.067 -7.061 1.00 0.00 C ATOM 661 O ASP 1 63 -1.502 -1.667 -7.818 1.00 0.00 O ATOM 662 CB ASP 1 63 -4.097 -3.690 -7.895 1.00 0.00 C ATOM 663 CG ASP 1 63 -3.813 -3.857 -9.374 1.00 0.00 C ATOM 664 OD1 ASP 1 63 -3.114 -2.993 -9.946 1.00 0.00 O ATOM 665 OD2 ASP 1 63 -4.288 -4.851 -9.962 1.00 0.00 O ATOM 0 H ASP 1 63 -4.015 -4.176 -5.473 1.00 0.00 H new ATOM 0 HA ASP 1 63 -2.028 -4.125 -7.519 1.00 0.00 H new ATOM 0 HB2 ASP 1 63 -4.652 -4.556 -7.535 1.00 0.00 H new ATOM 0 HB3 ASP 1 63 -4.735 -2.819 -7.747 1.00 0.00 H new ATOM 670 N ALA 1 64 -3.013 -1.275 -6.196 1.00 0.00 N ATOM 671 CA ALA 1 64 -2.689 0.142 -6.083 1.00 0.00 C ATOM 672 C ALA 1 64 -1.202 0.338 -5.815 1.00 0.00 C ATOM 673 O ALA 1 64 -0.510 1.027 -6.565 1.00 0.00 O ATOM 674 CB ALA 1 64 -3.518 0.789 -4.984 1.00 0.00 C ATOM 0 H ALA 1 64 -3.748 -1.591 -5.563 1.00 0.00 H new ATOM 0 HA ALA 1 64 -2.930 0.624 -7.030 1.00 0.00 H new ATOM 0 HB1 ALA 1 64 -3.265 1.847 -4.912 1.00 0.00 H new ATOM 0 HB2 ALA 1 64 -4.577 0.685 -5.218 1.00 0.00 H new ATOM 0 HB3 ALA 1 64 -3.307 0.300 -4.033 1.00 0.00 H new ATOM 680 N ILE 1 65 -0.713 -0.283 -4.746 1.00 0.00 N ATOM 681 CA ILE 1 65 0.694 -0.189 -4.384 1.00 0.00 C ATOM 682 C ILE 1 65 1.579 -0.635 -5.538 1.00 0.00 C ATOM 683 O ILE 1 65 2.436 0.111 -6.001 1.00 0.00 O ATOM 684 CB ILE 1 65 1.014 -1.057 -3.152 1.00 0.00 C ATOM 685 CG1 ILE 1 65 0.220 -0.569 -1.939 1.00 0.00 C ATOM 686 CG2 ILE 1 65 2.510 -1.045 -2.858 1.00 0.00 C ATOM 687 CD1 ILE 1 65 -0.560 -1.664 -1.246 1.00 0.00 C ATOM 0 H ILE 1 65 -1.273 -0.857 -4.116 1.00 0.00 H new ATOM 0 HA ILE 1 65 0.895 0.856 -4.148 1.00 0.00 H new ATOM 0 HB ILE 1 65 0.720 -2.084 -3.367 1.00 0.00 H new ATOM 0 HG12 ILE 1 65 0.907 -0.115 -1.224 1.00 0.00 H new ATOM 0 HG13 ILE 1 65 -0.471 0.212 -2.257 1.00 0.00 H new ATOM 0 HG21 ILE 1 65 2.714 -1.664 -1.984 1.00 0.00 H new ATOM 0 HG22 ILE 1 65 3.053 -1.439 -3.717 1.00 0.00 H new ATOM 0 HG23 ILE 1 65 2.834 -0.023 -2.662 1.00 0.00 H new ATOM 0 HD11 ILE 1 65 -1.098 -1.245 -0.396 1.00 0.00 H new ATOM 0 HD12 ILE 1 65 -1.272 -2.102 -1.946 1.00 0.00 H new ATOM 0 HD13 ILE 1 65 0.127 -2.435 -0.896 1.00 0.00 H new ATOM 699 N ARG 1 66 1.364 -1.862 -5.991 1.00 0.00 N ATOM 700 CA ARG 1 66 2.140 -2.424 -7.087 1.00 0.00 C ATOM 701 C ARG 1 66 2.106 -1.514 -8.309 1.00 0.00 C ATOM 702 O ARG 1 66 3.095 -1.398 -9.027 1.00 0.00 O ATOM 703 CB ARG 1 66 1.598 -3.806 -7.447 1.00 0.00 C ATOM 704 CG ARG 1 66 2.457 -4.551 -8.452 1.00 0.00 C ATOM 705 CD ARG 1 66 1.925 -5.952 -8.709 1.00 0.00 C ATOM 706 NE ARG 1 66 2.462 -6.923 -7.759 1.00 0.00 N ATOM 707 CZ ARG 1 66 2.087 -8.200 -7.713 1.00 0.00 C ATOM 708 NH1 ARG 1 66 1.176 -8.662 -8.560 1.00 0.00 N ATOM 709 NH2 ARG 1 66 2.626 -9.017 -6.818 1.00 0.00 N ATOM 0 H ARG 1 66 0.654 -2.490 -5.614 1.00 0.00 H new ATOM 0 HA ARG 1 66 3.177 -2.513 -6.763 1.00 0.00 H new ATOM 0 HB2 ARG 1 66 1.515 -4.403 -6.539 1.00 0.00 H new ATOM 0 HB3 ARG 1 66 0.591 -3.699 -7.851 1.00 0.00 H new ATOM 0 HG2 ARG 1 66 2.488 -3.995 -9.389 1.00 0.00 H new ATOM 0 HG3 ARG 1 66 3.481 -4.611 -8.083 1.00 0.00 H new ATOM 0 HD2 ARG 1 66 0.837 -5.944 -8.644 1.00 0.00 H new ATOM 0 HD3 ARG 1 66 2.182 -6.257 -9.724 1.00 0.00 H new ATOM 0 HE ARG 1 66 3.165 -6.604 -7.092 1.00 0.00 H new ATOM 0 HH11 ARG 1 66 0.759 -8.038 -9.251 1.00 0.00 H new ATOM 0 HH12 ARG 1 66 0.893 -9.641 -8.520 1.00 0.00 H new ATOM 0 HH21 ARG 1 66 3.327 -8.667 -6.165 1.00 0.00 H new ATOM 0 HH22 ARG 1 66 2.339 -9.995 -6.782 1.00 0.00 H new ATOM 723 N GLU 1 67 0.970 -0.862 -8.539 1.00 0.00 N ATOM 724 CA GLU 1 67 0.839 0.045 -9.675 1.00 0.00 C ATOM 725 C GLU 1 67 1.817 1.198 -9.527 1.00 0.00 C ATOM 726 O GLU 1 67 2.699 1.388 -10.365 1.00 0.00 O ATOM 727 CB GLU 1 67 -0.593 0.573 -9.781 1.00 0.00 C ATOM 728 CG GLU 1 67 -1.486 -0.266 -10.680 1.00 0.00 C ATOM 729 CD GLU 1 67 -1.411 0.156 -12.134 1.00 0.00 C ATOM 730 OE1 GLU 1 67 -0.312 0.544 -12.584 1.00 0.00 O ATOM 731 OE2 GLU 1 67 -2.451 0.099 -12.824 1.00 0.00 O ATOM 0 H GLU 1 67 0.134 -0.943 -7.960 1.00 0.00 H new ATOM 0 HA GLU 1 67 1.069 -0.502 -10.589 1.00 0.00 H new ATOM 0 HB2 GLU 1 67 -1.031 0.614 -8.784 1.00 0.00 H new ATOM 0 HB3 GLU 1 67 -0.567 1.595 -10.160 1.00 0.00 H new ATOM 0 HG2 GLU 1 67 -1.199 -1.314 -10.595 1.00 0.00 H new ATOM 0 HG3 GLU 1 67 -2.517 -0.189 -10.336 1.00 0.00 H new ATOM 738 N GLY 1 68 1.679 1.949 -8.440 1.00 0.00 N ATOM 739 CA GLY 1 68 2.587 3.049 -8.194 1.00 0.00 C ATOM 740 C GLY 1 68 4.001 2.541 -8.021 1.00 0.00 C ATOM 741 O GLY 1 68 4.951 3.119 -8.543 1.00 0.00 O ATOM 0 H GLY 1 68 0.959 1.816 -7.730 1.00 0.00 H new ATOM 0 HA2 GLY 1 68 2.547 3.754 -9.024 1.00 0.00 H new ATOM 0 HA3 GLY 1 68 2.277 3.591 -7.300 1.00 0.00 H new ATOM 745 N LEU 1 69 4.123 1.431 -7.302 1.00 0.00 N ATOM 746 CA LEU 1 69 5.410 0.796 -7.063 1.00 0.00 C ATOM 747 C LEU 1 69 6.015 0.339 -8.382 1.00 0.00 C ATOM 748 O LEU 1 69 7.232 0.342 -8.558 1.00 0.00 O ATOM 749 CB LEU 1 69 5.239 -0.397 -6.101 1.00 0.00 C ATOM 750 CG LEU 1 69 5.031 -0.036 -4.620 1.00 0.00 C ATOM 751 CD1 LEU 1 69 5.456 -1.194 -3.732 1.00 0.00 C ATOM 752 CD2 LEU 1 69 5.802 1.224 -4.241 1.00 0.00 C ATOM 0 H LEU 1 69 3.335 0.949 -6.870 1.00 0.00 H new ATOM 0 HA LEU 1 69 6.086 1.517 -6.602 1.00 0.00 H new ATOM 0 HB2 LEU 1 69 4.387 -0.990 -6.434 1.00 0.00 H new ATOM 0 HB3 LEU 1 69 6.120 -1.033 -6.180 1.00 0.00 H new ATOM 0 HG LEU 1 69 3.969 0.160 -4.470 1.00 0.00 H new ATOM 0 HD11 LEU 1 69 5.304 -0.926 -2.687 1.00 0.00 H new ATOM 0 HD12 LEU 1 69 4.859 -2.074 -3.971 1.00 0.00 H new ATOM 0 HD13 LEU 1 69 6.510 -1.414 -3.900 1.00 0.00 H new ATOM 0 HD21 LEU 1 69 5.633 1.451 -3.188 1.00 0.00 H new ATOM 0 HD22 LEU 1 69 6.867 1.064 -4.412 1.00 0.00 H new ATOM 0 HD23 LEU 1 69 5.458 2.059 -4.852 1.00 0.00 H new ATOM 764 N LYS 1 70 5.147 -0.038 -9.313 1.00 0.00 N ATOM 765 CA LYS 1 70 5.578 -0.487 -10.626 1.00 0.00 C ATOM 766 C LYS 1 70 6.159 0.673 -11.430 1.00 0.00 C ATOM 767 O LYS 1 70 6.933 0.468 -12.366 1.00 0.00 O ATOM 768 CB LYS 1 70 4.402 -1.116 -11.380 1.00 0.00 C ATOM 769 CG LYS 1 70 4.692 -1.411 -12.844 1.00 0.00 C ATOM 770 CD LYS 1 70 3.589 -2.243 -13.475 1.00 0.00 C ATOM 771 CE LYS 1 70 3.916 -3.726 -13.432 1.00 0.00 C ATOM 772 NZ LYS 1 70 3.188 -4.487 -14.485 1.00 0.00 N ATOM 0 H LYS 1 70 4.136 -0.041 -9.179 1.00 0.00 H new ATOM 0 HA LYS 1 70 6.357 -1.238 -10.495 1.00 0.00 H new ATOM 0 HB2 LYS 1 70 4.119 -2.044 -10.882 1.00 0.00 H new ATOM 0 HB3 LYS 1 70 3.544 -0.446 -11.318 1.00 0.00 H new ATOM 0 HG2 LYS 1 70 4.800 -0.474 -13.390 1.00 0.00 H new ATOM 0 HG3 LYS 1 70 5.641 -1.940 -12.928 1.00 0.00 H new ATOM 0 HD2 LYS 1 70 2.650 -2.061 -12.952 1.00 0.00 H new ATOM 0 HD3 LYS 1 70 3.443 -1.931 -14.509 1.00 0.00 H new ATOM 0 HE2 LYS 1 70 4.989 -3.865 -13.561 1.00 0.00 H new ATOM 0 HE3 LYS 1 70 3.658 -4.126 -12.451 1.00 0.00 H new ATOM 0 HZ1 LYS 1 70 3.439 -5.494 -14.421 1.00 0.00 H new ATOM 0 HZ2 LYS 1 70 2.163 -4.376 -14.348 1.00 0.00 H new ATOM 0 HZ3 LYS 1 70 3.453 -4.123 -15.422 1.00 0.00 H new ATOM 786 N ALA 1 71 5.766 1.891 -11.069 1.00 0.00 N ATOM 787 CA ALA 1 71 6.230 3.085 -11.766 1.00 0.00 C ATOM 788 C ALA 1 71 7.402 3.765 -11.055 1.00 0.00 C ATOM 789 O ALA 1 71 7.948 4.747 -11.560 1.00 0.00 O ATOM 790 CB ALA 1 71 5.077 4.063 -11.933 1.00 0.00 C ATOM 0 H ALA 1 71 5.126 2.077 -10.297 1.00 0.00 H new ATOM 0 HA ALA 1 71 6.594 2.770 -12.744 1.00 0.00 H new ATOM 0 HB1 ALA 1 71 5.428 4.954 -12.454 1.00 0.00 H new ATOM 0 HB2 ALA 1 71 4.282 3.593 -12.512 1.00 0.00 H new ATOM 0 HB3 ALA 1 71 4.693 4.344 -10.952 1.00 0.00 H new ATOM 796 N LEU 1 72 7.784 3.262 -9.883 1.00 0.00 N ATOM 797 CA LEU 1 72 8.886 3.861 -9.130 1.00 0.00 C ATOM 798 C LEU 1 72 10.130 2.981 -9.131 1.00 0.00 C ATOM 799 O LEU 1 72 11.094 3.263 -8.419 1.00 0.00 O ATOM 800 CB LEU 1 72 8.450 4.146 -7.697 1.00 0.00 C ATOM 801 CG LEU 1 72 7.062 4.764 -7.578 1.00 0.00 C ATOM 802 CD1 LEU 1 72 6.305 4.156 -6.413 1.00 0.00 C ATOM 803 CD2 LEU 1 72 7.158 6.275 -7.429 1.00 0.00 C ATOM 0 H LEU 1 72 7.354 2.451 -9.438 1.00 0.00 H new ATOM 0 HA LEU 1 72 9.146 4.796 -9.626 1.00 0.00 H new ATOM 0 HB2 LEU 1 72 8.471 3.215 -7.131 1.00 0.00 H new ATOM 0 HB3 LEU 1 72 9.175 4.816 -7.235 1.00 0.00 H new ATOM 0 HG LEU 1 72 6.511 4.547 -8.493 1.00 0.00 H new ATOM 0 HD11 LEU 1 72 5.317 4.610 -6.345 1.00 0.00 H new ATOM 0 HD12 LEU 1 72 6.201 3.082 -6.567 1.00 0.00 H new ATOM 0 HD13 LEU 1 72 6.853 4.338 -5.488 1.00 0.00 H new ATOM 0 HD21 LEU 1 72 6.156 6.697 -7.346 1.00 0.00 H new ATOM 0 HD22 LEU 1 72 7.729 6.517 -6.533 1.00 0.00 H new ATOM 0 HD23 LEU 1 72 7.657 6.696 -8.302 1.00 0.00 H new ATOM 815 N GLY 1 73 10.118 1.927 -9.938 1.00 0.00 N ATOM 816 CA GLY 1 73 11.273 1.048 -10.009 1.00 0.00 C ATOM 817 C GLY 1 73 10.960 -0.411 -9.740 1.00 0.00 C ATOM 818 O GLY 1 73 11.864 -1.246 -9.743 1.00 0.00 O ATOM 0 H GLY 1 73 9.337 1.665 -10.540 1.00 0.00 H new ATOM 0 HA2 GLY 1 73 11.722 1.135 -10.998 1.00 0.00 H new ATOM 0 HA3 GLY 1 73 12.018 1.387 -9.290 1.00 0.00 H new ATOM 822 N TYR 1 74 9.693 -0.734 -9.504 1.00 0.00 N ATOM 823 CA TYR 1 74 9.314 -2.112 -9.233 1.00 0.00 C ATOM 824 C TYR 1 74 8.378 -2.654 -10.303 1.00 0.00 C ATOM 825 O TYR 1 74 7.918 -1.917 -11.173 1.00 0.00 O ATOM 826 CB TYR 1 74 8.674 -2.212 -7.853 1.00 0.00 C ATOM 827 CG TYR 1 74 9.660 -1.944 -6.741 1.00 0.00 C ATOM 828 CD1 TYR 1 74 10.906 -2.553 -6.740 1.00 0.00 C ATOM 829 CD2 TYR 1 74 9.358 -1.068 -5.709 1.00 0.00 C ATOM 830 CE1 TYR 1 74 11.824 -2.301 -5.739 1.00 0.00 C ATOM 831 CE2 TYR 1 74 10.272 -0.808 -4.705 1.00 0.00 C ATOM 832 CZ TYR 1 74 11.503 -1.427 -4.725 1.00 0.00 C ATOM 833 OH TYR 1 74 12.414 -1.170 -3.726 1.00 0.00 O ATOM 0 H TYR 1 74 8.921 -0.068 -9.495 1.00 0.00 H new ATOM 0 HA TYR 1 74 10.216 -2.724 -9.251 1.00 0.00 H new ATOM 0 HB2 TYR 1 74 7.851 -1.501 -7.785 1.00 0.00 H new ATOM 0 HB3 TYR 1 74 8.247 -3.207 -7.725 1.00 0.00 H new ATOM 0 HD1 TYR 1 74 11.163 -3.236 -7.536 1.00 0.00 H new ATOM 0 HD2 TYR 1 74 8.394 -0.582 -5.689 1.00 0.00 H new ATOM 0 HE1 TYR 1 74 12.788 -2.787 -5.752 1.00 0.00 H new ATOM 0 HE2 TYR 1 74 10.022 -0.123 -3.908 1.00 0.00 H new ATOM 0 HH TYR 1 74 12.030 -0.531 -3.090 1.00 0.00 H new ATOM 843 N TYR 1 75 8.114 -3.954 -10.241 1.00 0.00 N ATOM 844 CA TYR 1 75 7.238 -4.602 -11.206 1.00 0.00 C ATOM 845 C TYR 1 75 6.053 -5.253 -10.504 1.00 0.00 C ATOM 846 O TYR 1 75 4.899 -4.978 -10.832 1.00 0.00 O ATOM 847 CB TYR 1 75 8.010 -5.646 -12.008 1.00 0.00 C ATOM 848 CG TYR 1 75 8.750 -5.067 -13.191 1.00 0.00 C ATOM 849 CD1 TYR 1 75 8.060 -4.506 -14.258 1.00 0.00 C ATOM 850 CD2 TYR 1 75 10.137 -5.079 -13.240 1.00 0.00 C ATOM 851 CE1 TYR 1 75 8.732 -3.974 -15.341 1.00 0.00 C ATOM 852 CE2 TYR 1 75 10.817 -4.549 -14.319 1.00 0.00 C ATOM 853 CZ TYR 1 75 10.110 -3.998 -15.368 1.00 0.00 C ATOM 854 OH TYR 1 75 10.784 -3.469 -16.445 1.00 0.00 O ATOM 0 H TYR 1 75 8.495 -4.579 -9.531 1.00 0.00 H new ATOM 0 HA TYR 1 75 6.861 -3.841 -11.889 1.00 0.00 H new ATOM 0 HB2 TYR 1 75 8.723 -6.144 -11.351 1.00 0.00 H new ATOM 0 HB3 TYR 1 75 7.316 -6.409 -12.361 1.00 0.00 H new ATOM 0 HD1 TYR 1 75 6.980 -4.485 -14.240 1.00 0.00 H new ATOM 0 HD2 TYR 1 75 10.694 -5.510 -12.421 1.00 0.00 H new ATOM 0 HE1 TYR 1 75 8.181 -3.541 -16.163 1.00 0.00 H new ATOM 0 HE2 TYR 1 75 11.897 -4.566 -14.342 1.00 0.00 H new ATOM 0 HH TYR 1 75 11.749 -3.565 -16.306 1.00 0.00 H new ATOM 864 N GLN 1 76 6.343 -6.113 -9.532 1.00 0.00 N ATOM 865 CA GLN 1 76 5.292 -6.793 -8.787 1.00 0.00 C ATOM 866 C GLN 1 76 5.708 -7.052 -7.337 1.00 0.00 C ATOM 867 O GLN 1 76 5.657 -8.188 -6.865 1.00 0.00 O ATOM 868 CB GLN 1 76 4.938 -8.117 -9.468 1.00 0.00 C ATOM 869 CG GLN 1 76 3.923 -7.975 -10.591 1.00 0.00 C ATOM 870 CD GLN 1 76 4.064 -9.056 -11.645 1.00 0.00 C ATOM 871 OE1 GLN 1 76 5.097 -9.163 -12.306 1.00 0.00 O ATOM 872 NE2 GLN 1 76 3.023 -9.864 -11.806 1.00 0.00 N ATOM 0 H GLN 1 76 7.291 -6.354 -9.244 1.00 0.00 H new ATOM 0 HA GLN 1 76 4.418 -6.142 -8.777 1.00 0.00 H new ATOM 0 HB2 GLN 1 76 5.848 -8.565 -9.867 1.00 0.00 H new ATOM 0 HB3 GLN 1 76 4.545 -8.806 -8.720 1.00 0.00 H new ATOM 0 HG2 GLN 1 76 2.917 -8.010 -10.173 1.00 0.00 H new ATOM 0 HG3 GLN 1 76 4.040 -6.998 -11.060 1.00 0.00 H new ATOM 0 HE21 GLN 1 76 2.187 -9.738 -11.236 1.00 0.00 H new ATOM 0 HE22 GLN 1 76 3.059 -10.611 -12.500 1.00 0.00 H new ATOM 881 N PRO 1 77 6.118 -6.000 -6.601 1.00 0.00 N ATOM 882 CA PRO 1 77 6.527 -6.136 -5.201 1.00 0.00 C ATOM 883 C PRO 1 77 5.527 -6.934 -4.379 1.00 0.00 C ATOM 884 O PRO 1 77 4.333 -6.635 -4.384 1.00 0.00 O ATOM 885 CB PRO 1 77 6.566 -4.692 -4.703 1.00 0.00 C ATOM 886 CG PRO 1 77 6.866 -3.886 -5.910 1.00 0.00 C ATOM 887 CD PRO 1 77 6.214 -4.602 -7.067 1.00 0.00 C ATOM 0 HA PRO 1 77 7.473 -6.669 -5.108 1.00 0.00 H new ATOM 0 HB2 PRO 1 77 5.614 -4.401 -4.259 1.00 0.00 H new ATOM 0 HB3 PRO 1 77 7.330 -4.558 -3.937 1.00 0.00 H new ATOM 0 HG2 PRO 1 77 6.475 -2.873 -5.809 1.00 0.00 H new ATOM 0 HG3 PRO 1 77 7.942 -3.799 -6.062 1.00 0.00 H new ATOM 0 HD2 PRO 1 77 5.232 -4.187 -7.293 1.00 0.00 H new ATOM 0 HD3 PRO 1 77 6.811 -4.522 -7.975 1.00 0.00 H new ATOM 895 N THR 1 78 6.013 -7.937 -3.655 1.00 0.00 N ATOM 896 CA THR 1 78 5.134 -8.739 -2.821 1.00 0.00 C ATOM 897 C THR 1 78 4.552 -7.862 -1.723 1.00 0.00 C ATOM 898 O THR 1 78 5.233 -7.531 -0.753 1.00 0.00 O ATOM 899 CB THR 1 78 5.896 -9.916 -2.210 1.00 0.00 C ATOM 900 OG1 THR 1 78 6.704 -10.550 -3.186 1.00 0.00 O ATOM 901 CG2 THR 1 78 4.990 -10.969 -1.610 1.00 0.00 C ATOM 0 H THR 1 78 6.996 -8.209 -3.630 1.00 0.00 H new ATOM 0 HA THR 1 78 4.327 -9.141 -3.434 1.00 0.00 H new ATOM 0 HB THR 1 78 6.503 -9.485 -1.413 1.00 0.00 H new ATOM 0 HG1 THR 1 78 7.569 -10.093 -3.242 1.00 0.00 H new ATOM 0 HG21 THR 1 78 5.595 -11.775 -1.194 1.00 0.00 H new ATOM 0 HG22 THR 1 78 4.387 -10.523 -0.819 1.00 0.00 H new ATOM 0 HG23 THR 1 78 4.335 -11.369 -2.384 1.00 0.00 H new ATOM 909 N ILE 1 79 3.296 -7.470 -1.893 1.00 0.00 N ATOM 910 CA ILE 1 79 2.631 -6.608 -0.931 1.00 0.00 C ATOM 911 C ILE 1 79 1.512 -7.344 -0.203 1.00 0.00 C ATOM 912 O ILE 1 79 0.458 -7.624 -0.775 1.00 0.00 O ATOM 913 CB ILE 1 79 2.070 -5.348 -1.625 1.00 0.00 C ATOM 914 CG1 ILE 1 79 3.207 -4.587 -2.317 1.00 0.00 C ATOM 915 CG2 ILE 1 79 1.358 -4.452 -0.620 1.00 0.00 C ATOM 916 CD1 ILE 1 79 2.889 -4.142 -3.731 1.00 0.00 C ATOM 0 H ILE 1 79 2.718 -7.737 -2.690 1.00 0.00 H new ATOM 0 HA ILE 1 79 3.375 -6.306 -0.194 1.00 0.00 H new ATOM 0 HB ILE 1 79 1.342 -5.655 -2.376 1.00 0.00 H new ATOM 0 HG12 ILE 1 79 3.458 -3.710 -1.720 1.00 0.00 H new ATOM 0 HG13 ILE 1 79 4.093 -5.222 -2.339 1.00 0.00 H new ATOM 0 HG21 ILE 1 79 0.970 -3.570 -1.130 1.00 0.00 H new ATOM 0 HG22 ILE 1 79 0.533 -5.000 -0.165 1.00 0.00 H new ATOM 0 HG23 ILE 1 79 2.060 -4.144 0.154 1.00 0.00 H new ATOM 0 HD11 ILE 1 79 3.746 -3.612 -4.147 1.00 0.00 H new ATOM 0 HD12 ILE 1 79 2.669 -5.014 -4.346 1.00 0.00 H new ATOM 0 HD13 ILE 1 79 2.024 -3.479 -3.718 1.00 0.00 H new ATOM 928 N GLU 1 80 1.755 -7.650 1.067 1.00 0.00 N ATOM 929 CA GLU 1 80 0.777 -8.350 1.891 1.00 0.00 C ATOM 930 C GLU 1 80 -0.017 -7.363 2.736 1.00 0.00 C ATOM 931 O GLU 1 80 0.370 -6.202 2.878 1.00 0.00 O ATOM 932 CB GLU 1 80 1.472 -9.367 2.797 1.00 0.00 C ATOM 933 CG GLU 1 80 1.134 -10.811 2.464 1.00 0.00 C ATOM 934 CD GLU 1 80 2.339 -11.726 2.552 1.00 0.00 C ATOM 935 OE1 GLU 1 80 3.230 -11.622 1.683 1.00 0.00 O ATOM 936 OE2 GLU 1 80 2.392 -12.549 3.491 1.00 0.00 O ATOM 0 H GLU 1 80 2.625 -7.423 1.549 1.00 0.00 H new ATOM 0 HA GLU 1 80 0.090 -8.877 1.229 1.00 0.00 H new ATOM 0 HB2 GLU 1 80 2.551 -9.229 2.723 1.00 0.00 H new ATOM 0 HB3 GLU 1 80 1.195 -9.167 3.832 1.00 0.00 H new ATOM 0 HG2 GLU 1 80 0.362 -11.166 3.146 1.00 0.00 H new ATOM 0 HG3 GLU 1 80 0.718 -10.860 1.458 1.00 0.00 H new ATOM 943 N PHE 1 81 -1.127 -7.831 3.297 1.00 0.00 N ATOM 944 CA PHE 1 81 -1.971 -6.981 4.124 1.00 0.00 C ATOM 945 C PHE 1 81 -2.426 -7.695 5.392 1.00 0.00 C ATOM 946 O PHE 1 81 -2.900 -8.830 5.346 1.00 0.00 O ATOM 947 CB PHE 1 81 -3.191 -6.516 3.328 1.00 0.00 C ATOM 948 CG PHE 1 81 -2.839 -5.740 2.093 1.00 0.00 C ATOM 949 CD1 PHE 1 81 -1.829 -4.794 2.124 1.00 0.00 C ATOM 950 CD2 PHE 1 81 -3.519 -5.953 0.906 1.00 0.00 C ATOM 951 CE1 PHE 1 81 -1.501 -4.073 0.992 1.00 0.00 C ATOM 952 CE2 PHE 1 81 -3.195 -5.237 -0.229 1.00 0.00 C ATOM 953 CZ PHE 1 81 -2.185 -4.295 -0.186 1.00 0.00 C ATOM 0 H PHE 1 81 -1.461 -8.789 3.194 1.00 0.00 H new ATOM 0 HA PHE 1 81 -1.375 -6.118 4.421 1.00 0.00 H new ATOM 0 HB2 PHE 1 81 -3.783 -7.386 3.044 1.00 0.00 H new ATOM 0 HB3 PHE 1 81 -3.819 -5.898 3.969 1.00 0.00 H new ATOM 0 HD1 PHE 1 81 -1.291 -4.617 3.044 1.00 0.00 H new ATOM 0 HD2 PHE 1 81 -4.311 -6.687 0.868 1.00 0.00 H new ATOM 0 HE1 PHE 1 81 -0.711 -3.337 1.029 1.00 0.00 H new ATOM 0 HE2 PHE 1 81 -3.731 -5.413 -1.150 1.00 0.00 H new ATOM 0 HZ PHE 1 81 -1.931 -3.733 -1.073 1.00 0.00 H new ATOM 963 N ASP 1 82 -2.292 -7.006 6.520 1.00 0.00 N ATOM 964 CA ASP 1 82 -2.701 -7.550 7.809 1.00 0.00 C ATOM 965 C ASP 1 82 -3.695 -6.605 8.475 1.00 0.00 C ATOM 966 O ASP 1 82 -3.305 -5.640 9.133 1.00 0.00 O ATOM 967 CB ASP 1 82 -1.485 -7.760 8.713 1.00 0.00 C ATOM 968 CG ASP 1 82 -1.858 -8.358 10.056 1.00 0.00 C ATOM 969 OD1 ASP 1 82 -2.383 -9.491 10.076 1.00 0.00 O ATOM 970 OD2 ASP 1 82 -1.624 -7.693 11.087 1.00 0.00 O ATOM 0 H ASP 1 82 -1.901 -6.065 6.567 1.00 0.00 H new ATOM 0 HA ASP 1 82 -3.179 -8.516 7.647 1.00 0.00 H new ATOM 0 HB2 ASP 1 82 -0.772 -8.415 8.212 1.00 0.00 H new ATOM 0 HB3 ASP 1 82 -0.984 -6.805 8.870 1.00 0.00 H new ATOM 975 N LEU 1 83 -4.980 -6.875 8.279 1.00 0.00 N ATOM 976 CA LEU 1 83 -6.031 -6.037 8.836 1.00 0.00 C ATOM 977 C LEU 1 83 -6.581 -6.613 10.138 1.00 0.00 C ATOM 978 O LEU 1 83 -6.668 -7.829 10.308 1.00 0.00 O ATOM 979 CB LEU 1 83 -7.153 -5.880 7.806 1.00 0.00 C ATOM 980 CG LEU 1 83 -8.444 -5.236 8.316 1.00 0.00 C ATOM 981 CD1 LEU 1 83 -8.387 -3.725 8.158 1.00 0.00 C ATOM 982 CD2 LEU 1 83 -9.641 -5.809 7.572 1.00 0.00 C ATOM 0 H LEU 1 83 -5.318 -7.670 7.737 1.00 0.00 H new ATOM 0 HA LEU 1 83 -5.606 -5.061 9.068 1.00 0.00 H new ATOM 0 HB2 LEU 1 83 -6.776 -5.284 6.975 1.00 0.00 H new ATOM 0 HB3 LEU 1 83 -7.394 -6.865 7.407 1.00 0.00 H new ATOM 0 HG LEU 1 83 -8.552 -5.461 9.377 1.00 0.00 H new ATOM 0 HD11 LEU 1 83 -9.314 -3.285 8.526 1.00 0.00 H new ATOM 0 HD12 LEU 1 83 -7.547 -3.331 8.729 1.00 0.00 H new ATOM 0 HD13 LEU 1 83 -8.260 -3.474 7.105 1.00 0.00 H new ATOM 0 HD21 LEU 1 83 -10.555 -5.345 7.942 1.00 0.00 H new ATOM 0 HD22 LEU 1 83 -9.537 -5.608 6.506 1.00 0.00 H new ATOM 0 HD23 LEU 1 83 -9.689 -6.886 7.735 1.00 0.00 H new ATOM 994 N ARG 1 84 -6.967 -5.721 11.045 1.00 0.00 N ATOM 995 CA ARG 1 84 -7.529 -6.114 12.325 1.00 0.00 C ATOM 996 C ARG 1 84 -8.698 -5.205 12.685 1.00 0.00 C ATOM 997 O ARG 1 84 -8.503 -4.057 13.104 1.00 0.00 O ATOM 998 CB ARG 1 84 -6.473 -6.075 13.433 1.00 0.00 C ATOM 999 CG ARG 1 84 -5.556 -4.873 13.368 1.00 0.00 C ATOM 1000 CD ARG 1 84 -4.531 -5.025 12.264 1.00 0.00 C ATOM 1001 NE ARG 1 84 -3.165 -4.864 12.757 1.00 0.00 N ATOM 1002 CZ ARG 1 84 -2.466 -5.835 13.341 1.00 0.00 C ATOM 1003 NH1 ARG 1 84 -2.994 -7.042 13.501 1.00 0.00 N ATOM 1004 NH2 ARG 1 84 -1.232 -5.599 13.767 1.00 0.00 N ATOM 0 H ARG 1 84 -6.898 -4.712 10.911 1.00 0.00 H new ATOM 0 HA ARG 1 84 -7.885 -7.140 12.235 1.00 0.00 H new ATOM 0 HB2 ARG 1 84 -6.976 -6.084 14.400 1.00 0.00 H new ATOM 0 HB3 ARG 1 84 -5.871 -6.982 13.379 1.00 0.00 H new ATOM 0 HG2 ARG 1 84 -6.145 -3.972 13.199 1.00 0.00 H new ATOM 0 HG3 ARG 1 84 -5.048 -4.748 14.324 1.00 0.00 H new ATOM 0 HD2 ARG 1 84 -4.637 -6.008 11.804 1.00 0.00 H new ATOM 0 HD3 ARG 1 84 -4.725 -4.287 11.486 1.00 0.00 H new ATOM 0 HE ARG 1 84 -2.720 -3.953 12.647 1.00 0.00 H new ATOM 0 HH11 ARG 1 84 -3.942 -7.231 13.176 1.00 0.00 H new ATOM 0 HH12 ARG 1 84 -2.452 -7.780 13.949 1.00 0.00 H new ATOM 0 HH21 ARG 1 84 -0.819 -4.674 13.647 1.00 0.00 H new ATOM 0 HH22 ARG 1 84 -0.696 -6.343 14.215 1.00 0.00 H new ATOM 1018 N PRO 1 85 -9.933 -5.708 12.510 1.00 0.00 N ATOM 1019 CA PRO 1 85 -11.148 -4.952 12.813 1.00 0.00 C ATOM 1020 C PRO 1 85 -11.116 -4.285 14.191 1.00 0.00 C ATOM 1021 O PRO 1 85 -11.655 -3.193 14.362 1.00 0.00 O ATOM 1022 CB PRO 1 85 -12.244 -6.016 12.770 1.00 0.00 C ATOM 1023 CG PRO 1 85 -11.735 -7.042 11.821 1.00 0.00 C ATOM 1024 CD PRO 1 85 -10.241 -7.057 11.986 1.00 0.00 C ATOM 0 HA PRO 1 85 -11.290 -4.130 12.111 1.00 0.00 H new ATOM 0 HB2 PRO 1 85 -12.421 -6.443 13.757 1.00 0.00 H new ATOM 0 HB3 PRO 1 85 -13.191 -5.596 12.430 1.00 0.00 H new ATOM 0 HG2 PRO 1 85 -12.161 -8.021 12.040 1.00 0.00 H new ATOM 0 HG3 PRO 1 85 -12.012 -6.796 10.796 1.00 0.00 H new ATOM 0 HD2 PRO 1 85 -9.922 -7.837 12.677 1.00 0.00 H new ATOM 0 HD3 PRO 1 85 -9.735 -7.244 11.039 1.00 0.00 H new ATOM 1032 N PRO 1 86 -10.518 -4.944 15.207 1.00 0.00 N ATOM 1033 CA PRO 1 86 -10.453 -4.433 16.565 1.00 0.00 C ATOM 1034 C PRO 1 86 -9.083 -3.861 16.936 1.00 0.00 C ATOM 1035 O PRO 1 86 -8.370 -4.434 17.760 1.00 0.00 O ATOM 1036 CB PRO 1 86 -10.729 -5.705 17.371 1.00 0.00 C ATOM 1037 CG PRO 1 86 -10.242 -6.842 16.508 1.00 0.00 C ATOM 1038 CD PRO 1 86 -9.885 -6.261 15.156 1.00 0.00 C ATOM 0 HA PRO 1 86 -11.140 -3.604 16.735 1.00 0.00 H new ATOM 0 HB2 PRO 1 86 -10.205 -5.685 18.327 1.00 0.00 H new ATOM 0 HB3 PRO 1 86 -11.792 -5.807 17.592 1.00 0.00 H new ATOM 0 HG2 PRO 1 86 -9.375 -7.323 16.960 1.00 0.00 H new ATOM 0 HG3 PRO 1 86 -11.014 -7.605 16.407 1.00 0.00 H new ATOM 0 HD2 PRO 1 86 -8.806 -6.189 15.016 1.00 0.00 H new ATOM 0 HD3 PRO 1 86 -10.273 -6.867 14.337 1.00 0.00 H new ATOM 1046 N PRO 1 87 -8.692 -2.717 16.346 1.00 0.00 N ATOM 1047 CA PRO 1 87 -7.402 -2.085 16.644 1.00 0.00 C ATOM 1048 C PRO 1 87 -7.310 -1.633 18.096 1.00 0.00 C ATOM 1049 O PRO 1 87 -8.272 -1.753 18.856 1.00 0.00 O ATOM 1050 CB PRO 1 87 -7.359 -0.879 15.704 1.00 0.00 C ATOM 1051 CG PRO 1 87 -8.781 -0.612 15.359 1.00 0.00 C ATOM 1052 CD PRO 1 87 -9.466 -1.949 15.358 1.00 0.00 C ATOM 0 HA PRO 1 87 -6.569 -2.774 16.501 1.00 0.00 H new ATOM 0 HB2 PRO 1 87 -6.901 -0.017 16.189 1.00 0.00 H new ATOM 0 HB3 PRO 1 87 -6.770 -1.094 14.813 1.00 0.00 H new ATOM 0 HG2 PRO 1 87 -9.239 0.060 16.085 1.00 0.00 H new ATOM 0 HG3 PRO 1 87 -8.862 -0.131 14.384 1.00 0.00 H new ATOM 0 HD2 PRO 1 87 -10.515 -1.866 15.643 1.00 0.00 H new ATOM 0 HD3 PRO 1 87 -9.440 -2.416 14.373 1.00 0.00 H new ATOM 1060 N LYS 1 88 -6.145 -1.124 18.481 1.00 0.00 N ATOM 1061 CA LYS 1 88 -5.928 -0.668 19.849 1.00 0.00 C ATOM 1062 C LYS 1 88 -6.130 0.842 19.990 1.00 0.00 C ATOM 1063 O LYS 1 88 -6.476 1.328 21.067 1.00 0.00 O ATOM 1064 CB LYS 1 88 -4.520 -1.071 20.320 1.00 0.00 C ATOM 1065 CG LYS 1 88 -3.469 0.032 20.219 1.00 0.00 C ATOM 1066 CD LYS 1 88 -3.202 0.430 18.774 1.00 0.00 C ATOM 1067 CE LYS 1 88 -1.712 0.466 18.472 1.00 0.00 C ATOM 1068 NZ LYS 1 88 -1.358 1.586 17.557 1.00 0.00 N ATOM 0 H LYS 1 88 -5.338 -1.017 17.867 1.00 0.00 H new ATOM 0 HA LYS 1 88 -6.672 -1.152 20.482 1.00 0.00 H new ATOM 0 HB2 LYS 1 88 -4.580 -1.402 21.357 1.00 0.00 H new ATOM 0 HB3 LYS 1 88 -4.186 -1.926 19.732 1.00 0.00 H new ATOM 0 HG2 LYS 1 88 -3.803 0.905 20.780 1.00 0.00 H new ATOM 0 HG3 LYS 1 88 -2.541 -0.307 20.680 1.00 0.00 H new ATOM 0 HD2 LYS 1 88 -3.693 -0.276 18.104 1.00 0.00 H new ATOM 0 HD3 LYS 1 88 -3.638 1.410 18.579 1.00 0.00 H new ATOM 0 HE2 LYS 1 88 -1.155 0.568 19.403 1.00 0.00 H new ATOM 0 HE3 LYS 1 88 -1.410 -0.480 18.022 1.00 0.00 H new ATOM 0 HZ1 LYS 1 88 -0.334 1.576 17.376 1.00 0.00 H new ATOM 0 HZ2 LYS 1 88 -1.870 1.475 16.658 1.00 0.00 H new ATOM 0 HZ3 LYS 1 88 -1.623 2.490 17.997 1.00 0.00 H new ATOM 1082 N LYS 1 89 -5.888 1.584 18.913 1.00 0.00 N ATOM 1083 CA LYS 1 89 -6.021 3.038 18.953 1.00 0.00 C ATOM 1084 C LYS 1 89 -6.866 3.578 17.809 1.00 0.00 C ATOM 1085 O LYS 1 89 -6.629 4.686 17.328 1.00 0.00 O ATOM 1086 CB LYS 1 89 -4.639 3.690 18.926 1.00 0.00 C ATOM 1087 CG LYS 1 89 -4.632 5.130 19.414 1.00 0.00 C ATOM 1088 CD LYS 1 89 -4.919 5.213 20.905 1.00 0.00 C ATOM 1089 CE LYS 1 89 -5.802 6.405 21.236 1.00 0.00 C ATOM 1090 NZ LYS 1 89 -6.685 6.135 22.405 1.00 0.00 N ATOM 0 H LYS 1 89 -5.601 1.207 18.009 1.00 0.00 H new ATOM 0 HA LYS 1 89 -6.534 3.287 19.882 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -3.958 3.103 19.543 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -4.252 3.659 17.907 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -3.663 5.582 19.203 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -5.378 5.705 18.866 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -5.406 4.295 21.235 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -3.980 5.291 21.454 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -5.177 7.273 21.446 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -6.414 6.655 20.369 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -7.271 6.972 22.598 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -7.300 5.323 22.195 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -6.101 5.921 23.239 1.00 0.00 H new ATOM 1104 N GLY 1 90 -7.849 2.806 17.370 1.00 0.00 N ATOM 1105 CA GLY 1 90 -8.689 3.264 16.285 1.00 0.00 C ATOM 1106 C GLY 1 90 -9.905 2.388 16.058 1.00 0.00 C ATOM 1107 O GLY 1 90 -10.360 1.693 16.967 1.00 0.00 O ATOM 0 H GLY 1 90 -8.078 1.883 17.740 1.00 0.00 H new ATOM 0 HA2 GLY 1 90 -9.017 4.282 16.494 1.00 0.00 H new ATOM 0 HA3 GLY 1 90 -8.100 3.300 15.369 1.00 0.00 H new ATOM 1111 N ARG 1 91 -10.430 2.425 14.837 1.00 0.00 N ATOM 1112 CA ARG 1 91 -11.598 1.630 14.477 1.00 0.00 C ATOM 1113 C ARG 1 91 -11.171 0.354 13.763 1.00 0.00 C ATOM 1114 O ARG 1 91 -11.596 -0.744 14.118 1.00 0.00 O ATOM 1115 CB ARG 1 91 -12.536 2.439 13.580 1.00 0.00 C ATOM 1116 CG ARG 1 91 -13.518 3.309 14.349 1.00 0.00 C ATOM 1117 CD ARG 1 91 -12.824 4.491 15.009 1.00 0.00 C ATOM 1118 NE ARG 1 91 -13.254 4.676 16.393 1.00 0.00 N ATOM 1119 CZ ARG 1 91 -14.402 5.252 16.742 1.00 0.00 C ATOM 1120 NH1 ARG 1 91 -15.236 5.701 15.812 1.00 0.00 N ATOM 1121 NH2 ARG 1 91 -14.716 5.380 18.023 1.00 0.00 N ATOM 0 H ARG 1 91 -10.063 2.999 14.078 1.00 0.00 H new ATOM 0 HA ARG 1 91 -12.127 1.362 15.391 1.00 0.00 H new ATOM 0 HB2 ARG 1 91 -11.940 3.073 12.924 1.00 0.00 H new ATOM 0 HB3 ARG 1 91 -13.094 1.754 12.941 1.00 0.00 H new ATOM 0 HG2 ARG 1 91 -14.291 3.672 13.671 1.00 0.00 H new ATOM 0 HG3 ARG 1 91 -14.018 2.709 15.110 1.00 0.00 H new ATOM 0 HD2 ARG 1 91 -11.745 4.339 14.982 1.00 0.00 H new ATOM 0 HD3 ARG 1 91 -13.033 5.397 14.440 1.00 0.00 H new ATOM 0 HE ARG 1 91 -12.638 4.344 17.135 1.00 0.00 H new ATOM 0 HH11 ARG 1 91 -14.998 5.605 14.825 1.00 0.00 H new ATOM 0 HH12 ARG 1 91 -16.115 6.142 16.085 1.00 0.00 H new ATOM 0 HH21 ARG 1 91 -14.078 5.037 18.741 1.00 0.00 H new ATOM 0 HH22 ARG 1 91 -15.596 5.821 18.291 1.00 0.00 H new ATOM 1135 N GLN 1 92 -10.319 0.514 12.756 1.00 0.00 N ATOM 1136 CA GLN 1 92 -9.813 -0.616 11.984 1.00 0.00 C ATOM 1137 C GLN 1 92 -8.397 -0.342 11.514 1.00 0.00 C ATOM 1138 O GLN 1 92 -8.101 0.737 11.001 1.00 0.00 O ATOM 1139 CB GLN 1 92 -10.722 -0.895 10.786 1.00 0.00 C ATOM 1140 CG GLN 1 92 -11.089 -2.359 10.639 1.00 0.00 C ATOM 1141 CD GLN 1 92 -11.308 -2.773 9.199 1.00 0.00 C ATOM 1142 OE1 GLN 1 92 -11.314 -1.939 8.293 1.00 0.00 O ATOM 1143 NE2 GLN 1 92 -11.491 -4.070 8.983 1.00 0.00 N ATOM 0 H GLN 1 92 -9.962 1.421 12.454 1.00 0.00 H new ATOM 0 HA GLN 1 92 -9.804 -1.496 12.627 1.00 0.00 H new ATOM 0 HB2 GLN 1 92 -11.634 -0.307 10.887 1.00 0.00 H new ATOM 0 HB3 GLN 1 92 -10.225 -0.559 9.876 1.00 0.00 H new ATOM 0 HG2 GLN 1 92 -10.297 -2.971 11.071 1.00 0.00 H new ATOM 0 HG3 GLN 1 92 -11.995 -2.560 11.211 1.00 0.00 H new ATOM 0 HE21 GLN 1 92 -11.478 -4.724 9.765 1.00 0.00 H new ATOM 0 HE22 GLN 1 92 -11.645 -4.412 8.035 1.00 0.00 H new ATOM 1152 N VAL 1 93 -7.516 -1.317 11.700 1.00 0.00 N ATOM 1153 CA VAL 1 93 -6.133 -1.157 11.300 1.00 0.00 C ATOM 1154 C VAL 1 93 -5.771 -2.121 10.172 1.00 0.00 C ATOM 1155 O VAL 1 93 -6.153 -3.290 10.195 1.00 0.00 O ATOM 1156 CB VAL 1 93 -5.200 -1.371 12.509 1.00 0.00 C ATOM 1157 CG1 VAL 1 93 -3.824 -1.817 12.068 1.00 0.00 C ATOM 1158 CG2 VAL 1 93 -5.107 -0.104 13.339 1.00 0.00 C ATOM 0 H VAL 1 93 -7.737 -2.219 12.123 1.00 0.00 H new ATOM 0 HA VAL 1 93 -6.003 -0.140 10.929 1.00 0.00 H new ATOM 0 HB VAL 1 93 -5.627 -2.162 13.125 1.00 0.00 H new ATOM 0 HG11 VAL 1 93 -3.190 -1.959 12.943 1.00 0.00 H new ATOM 0 HG12 VAL 1 93 -3.904 -2.756 11.521 1.00 0.00 H new ATOM 0 HG13 VAL 1 93 -3.385 -1.057 11.422 1.00 0.00 H new ATOM 0 HG21 VAL 1 93 -4.445 -0.273 14.188 1.00 0.00 H new ATOM 0 HG22 VAL 1 93 -4.711 0.705 12.725 1.00 0.00 H new ATOM 0 HG23 VAL 1 93 -6.099 0.167 13.701 1.00 0.00 H new ATOM 1168 N LEU 1 94 -5.025 -1.620 9.191 1.00 0.00 N ATOM 1169 CA LEU 1 94 -4.599 -2.434 8.059 1.00 0.00 C ATOM 1170 C LEU 1 94 -3.130 -2.174 7.740 1.00 0.00 C ATOM 1171 O LEU 1 94 -2.746 -1.046 7.434 1.00 0.00 O ATOM 1172 CB LEU 1 94 -5.465 -2.141 6.827 1.00 0.00 C ATOM 1173 CG LEU 1 94 -5.529 -3.247 5.755 1.00 0.00 C ATOM 1174 CD1 LEU 1 94 -5.169 -2.685 4.389 1.00 0.00 C ATOM 1175 CD2 LEU 1 94 -4.616 -4.420 6.094 1.00 0.00 C ATOM 0 H LEU 1 94 -4.703 -0.653 9.158 1.00 0.00 H new ATOM 0 HA LEU 1 94 -4.720 -3.483 8.328 1.00 0.00 H new ATOM 0 HB2 LEU 1 94 -6.480 -1.934 7.165 1.00 0.00 H new ATOM 0 HB3 LEU 1 94 -5.093 -1.231 6.357 1.00 0.00 H new ATOM 0 HG LEU 1 94 -6.554 -3.618 5.733 1.00 0.00 H new ATOM 0 HD11 LEU 1 94 -5.219 -3.479 3.644 1.00 0.00 H new ATOM 0 HD12 LEU 1 94 -5.871 -1.894 4.124 1.00 0.00 H new ATOM 0 HD13 LEU 1 94 -4.158 -2.278 4.418 1.00 0.00 H new ATOM 0 HD21 LEU 1 94 -4.691 -5.177 5.313 1.00 0.00 H new ATOM 0 HD22 LEU 1 94 -3.586 -4.071 6.163 1.00 0.00 H new ATOM 0 HD23 LEU 1 94 -4.918 -4.852 7.048 1.00 0.00 H new ATOM 1187 N ILE 1 95 -2.312 -3.216 7.818 1.00 0.00 N ATOM 1188 CA ILE 1 95 -0.887 -3.083 7.540 1.00 0.00 C ATOM 1189 C ILE 1 95 -0.571 -3.426 6.088 1.00 0.00 C ATOM 1190 O ILE 1 95 -1.232 -4.267 5.482 1.00 0.00 O ATOM 1191 CB ILE 1 95 -0.047 -3.983 8.467 1.00 0.00 C ATOM 1192 CG1 ILE 1 95 -0.425 -3.739 9.929 1.00 0.00 C ATOM 1193 CG2 ILE 1 95 1.439 -3.732 8.249 1.00 0.00 C ATOM 1194 CD1 ILE 1 95 -0.613 -5.012 10.722 1.00 0.00 C ATOM 0 H ILE 1 95 -2.609 -4.159 8.070 1.00 0.00 H new ATOM 0 HA ILE 1 95 -0.626 -2.041 7.725 1.00 0.00 H new ATOM 0 HB ILE 1 95 -0.258 -5.025 8.225 1.00 0.00 H new ATOM 0 HG12 ILE 1 95 0.351 -3.137 10.401 1.00 0.00 H new ATOM 0 HG13 ILE 1 95 -1.346 -3.157 9.966 1.00 0.00 H new ATOM 0 HG21 ILE 1 95 2.018 -4.376 8.911 1.00 0.00 H new ATOM 0 HG22 ILE 1 95 1.697 -3.952 7.213 1.00 0.00 H new ATOM 0 HG23 ILE 1 95 1.667 -2.689 8.466 1.00 0.00 H new ATOM 0 HD11 ILE 1 95 -0.880 -4.765 11.750 1.00 0.00 H new ATOM 0 HD12 ILE 1 95 -1.409 -5.606 10.273 1.00 0.00 H new ATOM 0 HD13 ILE 1 95 0.314 -5.585 10.716 1.00 0.00 H new ATOM 1206 N ALA 1 96 0.447 -2.768 5.539 1.00 0.00 N ATOM 1207 CA ALA 1 96 0.856 -3.003 4.159 1.00 0.00 C ATOM 1208 C ALA 1 96 2.360 -3.233 4.067 1.00 0.00 C ATOM 1209 O ALA 1 96 3.148 -2.286 4.110 1.00 0.00 O ATOM 1210 CB ALA 1 96 0.443 -1.832 3.280 1.00 0.00 C ATOM 0 H ALA 1 96 1.003 -2.068 6.030 1.00 0.00 H new ATOM 0 HA ALA 1 96 0.354 -3.903 3.803 1.00 0.00 H new ATOM 0 HB1 ALA 1 96 0.754 -2.021 2.253 1.00 0.00 H new ATOM 0 HB2 ALA 1 96 -0.640 -1.715 3.315 1.00 0.00 H new ATOM 0 HB3 ALA 1 96 0.918 -0.920 3.642 1.00 0.00 H new ATOM 1216 N LYS 1 97 2.752 -4.497 3.939 1.00 0.00 N ATOM 1217 CA LYS 1 97 4.163 -4.854 3.842 1.00 0.00 C ATOM 1218 C LYS 1 97 4.527 -5.252 2.416 1.00 0.00 C ATOM 1219 O LYS 1 97 4.032 -6.250 1.895 1.00 0.00 O ATOM 1220 CB LYS 1 97 4.488 -6.001 4.801 1.00 0.00 C ATOM 1221 CG LYS 1 97 3.964 -5.782 6.211 1.00 0.00 C ATOM 1222 CD LYS 1 97 2.625 -6.470 6.420 1.00 0.00 C ATOM 1223 CE LYS 1 97 2.794 -7.826 7.087 1.00 0.00 C ATOM 1224 NZ LYS 1 97 1.515 -8.325 7.663 1.00 0.00 N ATOM 0 H LYS 1 97 2.113 -5.291 3.900 1.00 0.00 H new ATOM 0 HA LYS 1 97 4.752 -3.980 4.118 1.00 0.00 H new ATOM 0 HB2 LYS 1 97 4.067 -6.925 4.405 1.00 0.00 H new ATOM 0 HB3 LYS 1 97 5.569 -6.135 4.841 1.00 0.00 H new ATOM 0 HG2 LYS 1 97 4.687 -6.163 6.932 1.00 0.00 H new ATOM 0 HG3 LYS 1 97 3.859 -4.714 6.399 1.00 0.00 H new ATOM 0 HD2 LYS 1 97 1.982 -5.839 7.034 1.00 0.00 H new ATOM 0 HD3 LYS 1 97 2.125 -6.595 5.459 1.00 0.00 H new ATOM 0 HE2 LYS 1 97 3.169 -8.545 6.358 1.00 0.00 H new ATOM 0 HE3 LYS 1 97 3.543 -7.752 7.876 1.00 0.00 H new ATOM 0 HZ1 LYS 1 97 1.630 -9.316 7.956 1.00 0.00 H new ATOM 0 HZ2 LYS 1 97 1.257 -7.747 8.489 1.00 0.00 H new ATOM 0 HZ3 LYS 1 97 0.763 -8.260 6.947 1.00 0.00 H new ATOM 1238 N VAL 1 98 5.395 -4.463 1.789 1.00 0.00 N ATOM 1239 CA VAL 1 98 5.823 -4.732 0.422 1.00 0.00 C ATOM 1240 C VAL 1 98 7.258 -5.250 0.382 1.00 0.00 C ATOM 1241 O VAL 1 98 8.096 -4.846 1.188 1.00 0.00 O ATOM 1242 CB VAL 1 98 5.716 -3.469 -0.456 1.00 0.00 C ATOM 1243 CG1 VAL 1 98 6.606 -2.361 0.085 1.00 0.00 C ATOM 1244 CG2 VAL 1 98 6.065 -3.789 -1.903 1.00 0.00 C ATOM 0 H VAL 1 98 5.815 -3.633 2.207 1.00 0.00 H new ATOM 0 HA VAL 1 98 5.157 -5.499 0.027 1.00 0.00 H new ATOM 0 HB VAL 1 98 4.684 -3.118 -0.427 1.00 0.00 H new ATOM 0 HG11 VAL 1 98 6.515 -1.479 -0.549 1.00 0.00 H new ATOM 0 HG12 VAL 1 98 6.299 -2.111 1.100 1.00 0.00 H new ATOM 0 HG13 VAL 1 98 7.643 -2.698 0.092 1.00 0.00 H new ATOM 0 HG21 VAL 1 98 5.983 -2.884 -2.506 1.00 0.00 H new ATOM 0 HG22 VAL 1 98 7.085 -4.169 -1.956 1.00 0.00 H new ATOM 0 HG23 VAL 1 98 5.377 -4.543 -2.285 1.00 0.00 H new ATOM 1254 N THR 1 99 7.534 -6.145 -0.563 1.00 0.00 N ATOM 1255 CA THR 1 99 8.868 -6.715 -0.708 1.00 0.00 C ATOM 1256 C THR 1 99 9.104 -7.207 -2.135 1.00 0.00 C ATOM 1257 O THR 1 99 8.821 -8.360 -2.459 1.00 0.00 O ATOM 1258 CB THR 1 99 9.062 -7.868 0.279 1.00 0.00 C ATOM 1259 OG1 THR 1 99 8.830 -7.435 1.607 1.00 0.00 O ATOM 1260 CG2 THR 1 99 10.448 -8.473 0.228 1.00 0.00 C ATOM 0 H THR 1 99 6.852 -6.490 -1.238 1.00 0.00 H new ATOM 0 HA THR 1 99 9.594 -5.931 -0.491 1.00 0.00 H new ATOM 0 HB THR 1 99 8.341 -8.629 -0.020 1.00 0.00 H new ATOM 0 HG1 THR 1 99 8.957 -8.186 2.223 1.00 0.00 H new ATOM 0 HG21 THR 1 99 10.518 -9.285 0.952 1.00 0.00 H new ATOM 0 HG22 THR 1 99 10.639 -8.862 -0.772 1.00 0.00 H new ATOM 0 HG23 THR 1 99 11.188 -7.709 0.467 1.00 0.00 H new ATOM 1268 N PRO 1 100 9.628 -6.332 -3.012 1.00 0.00 N ATOM 1269 CA PRO 1 100 9.904 -6.671 -4.400 1.00 0.00 C ATOM 1270 C PRO 1 100 11.291 -7.287 -4.591 1.00 0.00 C ATOM 1271 O PRO 1 100 11.432 -8.510 -4.616 1.00 0.00 O ATOM 1272 CB PRO 1 100 9.795 -5.327 -5.122 1.00 0.00 C ATOM 1273 CG PRO 1 100 9.909 -4.263 -4.066 1.00 0.00 C ATOM 1274 CD PRO 1 100 9.989 -4.943 -2.721 1.00 0.00 C ATOM 0 HA PRO 1 100 9.216 -7.426 -4.780 1.00 0.00 H new ATOM 0 HB2 PRO 1 100 10.585 -5.221 -5.866 1.00 0.00 H new ATOM 0 HB3 PRO 1 100 8.846 -5.247 -5.652 1.00 0.00 H new ATOM 0 HG2 PRO 1 100 10.795 -3.651 -4.236 1.00 0.00 H new ATOM 0 HG3 PRO 1 100 9.048 -3.595 -4.104 1.00 0.00 H new ATOM 0 HD2 PRO 1 100 10.989 -4.870 -2.294 1.00 0.00 H new ATOM 0 HD3 PRO 1 100 9.303 -4.493 -2.003 1.00 0.00 H new ATOM 1282 N GLY 1 101 12.316 -6.443 -4.724 1.00 0.00 N ATOM 1283 CA GLY 1 101 13.664 -6.947 -4.908 1.00 0.00 C ATOM 1284 C GLY 1 101 14.617 -5.900 -5.456 1.00 0.00 C ATOM 1285 O GLY 1 101 15.543 -5.474 -4.764 1.00 0.00 O ATOM 0 H GLY 1 101 12.235 -5.426 -4.707 1.00 0.00 H new ATOM 0 HA2 GLY 1 101 14.043 -7.312 -3.954 1.00 0.00 H new ATOM 0 HA3 GLY 1 101 13.638 -7.799 -5.588 1.00 0.00 H new ATOM 1289 N VAL 1 102 14.400 -5.492 -6.703 1.00 0.00 N ATOM 1290 CA VAL 1 102 15.258 -4.499 -7.342 1.00 0.00 C ATOM 1291 C VAL 1 102 14.495 -3.216 -7.660 1.00 0.00 C ATOM 1292 O VAL 1 102 13.285 -3.240 -7.875 1.00 0.00 O ATOM 1293 CB VAL 1 102 15.878 -5.054 -8.642 1.00 0.00 C ATOM 1294 CG1 VAL 1 102 14.864 -5.045 -9.781 1.00 0.00 C ATOM 1295 CG2 VAL 1 102 17.122 -4.265 -9.019 1.00 0.00 C ATOM 0 H VAL 1 102 13.639 -5.833 -7.290 1.00 0.00 H new ATOM 0 HA VAL 1 102 16.052 -4.268 -6.632 1.00 0.00 H new ATOM 0 HB VAL 1 102 16.169 -6.089 -8.463 1.00 0.00 H new ATOM 0 HG11 VAL 1 102 15.328 -5.441 -10.684 1.00 0.00 H new ATOM 0 HG12 VAL 1 102 14.008 -5.664 -9.511 1.00 0.00 H new ATOM 0 HG13 VAL 1 102 14.530 -4.023 -9.963 1.00 0.00 H new ATOM 0 HG21 VAL 1 102 17.545 -4.671 -9.938 1.00 0.00 H new ATOM 0 HG22 VAL 1 102 16.857 -3.219 -9.172 1.00 0.00 H new ATOM 0 HG23 VAL 1 102 17.857 -4.339 -8.217 1.00 0.00 H new ATOM 1305 N LEU 1 103 15.215 -2.099 -7.701 1.00 0.00 N ATOM 1306 CA LEU 1 103 14.607 -0.810 -8.006 1.00 0.00 C ATOM 1307 C LEU 1 103 15.419 -0.061 -9.058 1.00 0.00 C ATOM 1308 O LEU 1 103 16.634 0.084 -8.931 1.00 0.00 O ATOM 1309 CB LEU 1 103 14.487 0.040 -6.741 1.00 0.00 C ATOM 1310 CG LEU 1 103 13.558 1.249 -6.865 1.00 0.00 C ATOM 1311 CD1 LEU 1 103 12.114 0.839 -6.623 1.00 0.00 C ATOM 1312 CD2 LEU 1 103 13.974 2.343 -5.894 1.00 0.00 C ATOM 0 H LEU 1 103 16.219 -2.061 -7.527 1.00 0.00 H new ATOM 0 HA LEU 1 103 13.609 -0.996 -8.404 1.00 0.00 H new ATOM 0 HB2 LEU 1 103 14.130 -0.592 -5.928 1.00 0.00 H new ATOM 0 HB3 LEU 1 103 15.480 0.390 -6.460 1.00 0.00 H new ATOM 0 HG LEU 1 103 13.637 1.642 -7.879 1.00 0.00 H new ATOM 0 HD11 LEU 1 103 11.468 1.712 -6.715 1.00 0.00 H new ATOM 0 HD12 LEU 1 103 11.820 0.090 -7.359 1.00 0.00 H new ATOM 0 HD13 LEU 1 103 12.018 0.420 -5.621 1.00 0.00 H new ATOM 0 HD21 LEU 1 103 13.302 3.195 -5.996 1.00 0.00 H new ATOM 0 HD22 LEU 1 103 13.924 1.962 -4.874 1.00 0.00 H new ATOM 0 HD23 LEU 1 103 14.994 2.657 -6.115 1.00 0.00 H new