USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 753 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 31 SER OG : rot 180:sc= 1.01 USER MOD Set 2.2: A 67 SER OG : rot 106:sc= 1.26 USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.0872 (180deg=0) USER MOD Single : A 2 HIS : no HE2:sc= 0.0288 K(o=0.029,f=-0.75) USER MOD Single : A 3 MET CE :methyl -178:sc= 0 (180deg=-0.00528) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc=-0.00849 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 57:sc= 1.25 USER MOD Single : A 20 HIS : no HE2:sc= -0.546 K(o=-0.55,f=-1.1) USER MOD Single : A 21 THR OG1 : rot -8:sc= 0.0555 USER MOD Single : A 27 SER OG : rot -40:sc= 0.417 USER MOD Single : A 28 SER OG : rot 180:sc= 0.012 USER MOD Single : A 37 THR OG1 : rot 74:sc= 1.2 USER MOD Single : A 38 SER OG : rot 168:sc= 1.08 USER MOD Single : A 39 TYR OH : rot 122:sc= 0.0148 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc=-0.00556 USER MOD Single : A 44 ASN : amide:sc= -0.23 K(o=-0.23,f=-1.1) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0145 USER MOD Single : A 46 THR OG1 : rot 40:sc= 0.27 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.0458 X(o=-0.046,f=-0.26) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 34:sc= 1.2 USER MOD Single : A 68 TYR OH : rot 130:sc= -0.145 USER MOD Single : A 71 ASN : amide:sc= -1 K(o=-1,f=-10!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -1.72 K(o=-1.7,f=-4.1!) USER MOD Single : A 88 SER OG : rot 180:sc= 0.025 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 1.12 K(o=1.1,f=-1.9) USER MOD Single : A 101 LYS NZ :NH3+ -127:sc= 0.117 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 147:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.398 13.116 -0.174 1.00 0.00 N ATOM 2 CA GLY A 1 -33.014 11.750 -0.553 1.00 0.00 C ATOM 3 C GLY A 1 -33.151 11.579 -2.055 1.00 0.00 C ATOM 4 O GLY A 1 -34.014 12.218 -2.651 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.943 13.090 0.711 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.543 13.692 -0.038 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.981 13.534 -0.927 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.987 11.552 -0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -33.645 11.028 -0.036 1.00 0.00 H new ATOM 8 N HIS A 2 -32.308 10.752 -2.677 1.00 0.00 N ATOM 9 CA HIS A 2 -32.311 10.465 -4.112 1.00 0.00 C ATOM 10 C HIS A 2 -31.708 9.074 -4.318 1.00 0.00 C ATOM 11 O HIS A 2 -30.639 8.777 -3.778 1.00 0.00 O ATOM 12 CB HIS A 2 -31.514 11.536 -4.884 1.00 0.00 C ATOM 13 CG HIS A 2 -30.264 12.012 -4.181 1.00 0.00 C ATOM 14 ND1 HIS A 2 -29.171 11.245 -3.841 1.00 0.00 N ATOM 15 CD2 HIS A 2 -30.080 13.255 -3.642 1.00 0.00 C ATOM 16 CE1 HIS A 2 -28.356 11.999 -3.088 1.00 0.00 C ATOM 17 NE2 HIS A 2 -28.880 13.229 -2.920 1.00 0.00 N ATOM 0 H HIS A 2 -31.578 10.245 -2.176 1.00 0.00 H new ATOM 0 HA HIS A 2 -33.330 10.486 -4.498 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -31.237 11.133 -5.858 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -32.162 12.393 -5.066 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -29.010 10.275 -4.114 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -30.740 14.103 -3.753 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -27.415 11.668 -2.675 1.00 0.00 H new ATOM 25 N MET A 3 -32.388 8.205 -5.062 1.00 0.00 N ATOM 26 CA MET A 3 -31.944 6.848 -5.362 1.00 0.00 C ATOM 27 C MET A 3 -32.342 6.543 -6.805 1.00 0.00 C ATOM 28 O MET A 3 -33.289 7.144 -7.311 1.00 0.00 O ATOM 29 CB MET A 3 -32.594 5.847 -4.388 1.00 0.00 C ATOM 30 CG MET A 3 -32.105 6.031 -2.943 1.00 0.00 C ATOM 31 SD MET A 3 -32.776 4.855 -1.735 1.00 0.00 S ATOM 32 CE MET A 3 -34.478 5.475 -1.590 1.00 0.00 C ATOM 0 H MET A 3 -33.288 8.433 -5.484 1.00 0.00 H new ATOM 0 HA MET A 3 -30.864 6.760 -5.245 1.00 0.00 H new ATOM 0 HB2 MET A 3 -33.677 5.965 -4.420 1.00 0.00 H new ATOM 0 HB3 MET A 3 -32.375 4.831 -4.716 1.00 0.00 H new ATOM 0 HG2 MET A 3 -31.018 5.954 -2.933 1.00 0.00 H new ATOM 0 HG3 MET A 3 -32.356 7.041 -2.619 1.00 0.00 H new ATOM 0 HE1 MET A 3 -35.020 4.881 -0.854 1.00 0.00 H new ATOM 0 HE2 MET A 3 -34.460 6.518 -1.272 1.00 0.00 H new ATOM 0 HE3 MET A 3 -34.977 5.399 -2.556 1.00 0.00 H new ATOM 42 N GLY A 4 -31.634 5.612 -7.443 1.00 0.00 N ATOM 43 CA GLY A 4 -31.776 5.276 -8.851 1.00 0.00 C ATOM 44 C GLY A 4 -30.500 5.688 -9.571 1.00 0.00 C ATOM 45 O GLY A 4 -30.461 6.749 -10.193 1.00 0.00 O ATOM 0 H GLY A 4 -30.922 5.054 -6.973 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -31.951 4.207 -8.971 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.637 5.790 -9.279 1.00 0.00 H new ATOM 49 N SER A 5 -29.433 4.902 -9.422 1.00 0.00 N ATOM 50 CA SER A 5 -28.174 5.048 -10.147 1.00 0.00 C ATOM 51 C SER A 5 -27.369 3.739 -10.013 1.00 0.00 C ATOM 52 O SER A 5 -27.693 2.923 -9.140 1.00 0.00 O ATOM 53 CB SER A 5 -27.405 6.265 -9.603 1.00 0.00 C ATOM 54 OG SER A 5 -27.383 6.301 -8.184 1.00 0.00 O ATOM 0 H SER A 5 -29.423 4.118 -8.769 1.00 0.00 H new ATOM 0 HA SER A 5 -28.354 5.227 -11.207 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.382 6.243 -9.979 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.863 7.179 -9.980 1.00 0.00 H new ATOM 0 HG SER A 5 -26.883 7.089 -7.884 1.00 0.00 H new ATOM 60 N PRO A 6 -26.343 3.508 -10.853 1.00 0.00 N ATOM 61 CA PRO A 6 -25.417 2.387 -10.700 1.00 0.00 C ATOM 62 C PRO A 6 -24.483 2.589 -9.491 1.00 0.00 C ATOM 63 O PRO A 6 -24.631 3.529 -8.709 1.00 0.00 O ATOM 64 CB PRO A 6 -24.672 2.299 -12.040 1.00 0.00 C ATOM 65 CG PRO A 6 -24.658 3.747 -12.514 1.00 0.00 C ATOM 66 CD PRO A 6 -26.003 4.285 -12.037 1.00 0.00 C ATOM 0 HA PRO A 6 -25.928 1.449 -10.485 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -23.664 1.904 -11.917 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -25.186 1.647 -12.746 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -23.826 4.304 -12.082 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -24.559 3.815 -13.597 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -25.938 5.347 -11.802 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -26.764 4.175 -12.809 1.00 0.00 H new ATOM 74 N VAL A 7 -23.547 1.660 -9.295 1.00 0.00 N ATOM 75 CA VAL A 7 -22.608 1.651 -8.177 1.00 0.00 C ATOM 76 C VAL A 7 -21.476 2.636 -8.482 1.00 0.00 C ATOM 77 O VAL A 7 -20.686 2.408 -9.400 1.00 0.00 O ATOM 78 CB VAL A 7 -22.087 0.216 -7.952 1.00 0.00 C ATOM 79 CG1 VAL A 7 -21.199 0.107 -6.709 1.00 0.00 C ATOM 80 CG2 VAL A 7 -23.242 -0.775 -7.774 1.00 0.00 C ATOM 0 H VAL A 7 -23.419 0.871 -9.929 1.00 0.00 H new ATOM 0 HA VAL A 7 -23.096 1.967 -7.255 1.00 0.00 H new ATOM 0 HB VAL A 7 -21.505 -0.025 -8.842 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -20.858 -0.922 -6.595 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -20.337 0.765 -6.819 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -21.769 0.400 -5.828 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -22.841 -1.777 -7.618 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -23.841 -0.485 -6.911 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -23.867 -0.770 -8.667 1.00 0.00 H new ATOM 90 N SER A 8 -21.388 3.718 -7.714 1.00 0.00 N ATOM 91 CA SER A 8 -20.356 4.737 -7.852 1.00 0.00 C ATOM 92 C SER A 8 -19.148 4.320 -7.017 1.00 0.00 C ATOM 93 O SER A 8 -19.238 4.318 -5.790 1.00 0.00 O ATOM 94 CB SER A 8 -20.904 6.091 -7.371 1.00 0.00 C ATOM 95 OG SER A 8 -21.143 6.936 -8.475 1.00 0.00 O ATOM 0 H SER A 8 -22.048 3.914 -6.962 1.00 0.00 H new ATOM 0 HA SER A 8 -20.057 4.838 -8.895 1.00 0.00 H new ATOM 0 HB2 SER A 8 -21.827 5.941 -6.811 1.00 0.00 H new ATOM 0 HB3 SER A 8 -20.192 6.560 -6.691 1.00 0.00 H new ATOM 0 HG SER A 8 -21.493 7.795 -8.160 1.00 0.00 H new ATOM 101 N TYR A 9 -18.019 3.967 -7.634 1.00 0.00 N ATOM 102 CA TYR A 9 -16.751 3.915 -6.910 1.00 0.00 C ATOM 103 C TYR A 9 -16.106 5.300 -6.973 1.00 0.00 C ATOM 104 O TYR A 9 -16.505 6.165 -7.765 1.00 0.00 O ATOM 105 CB TYR A 9 -15.804 2.829 -7.452 1.00 0.00 C ATOM 106 CG TYR A 9 -16.078 1.393 -7.034 1.00 0.00 C ATOM 107 CD1 TYR A 9 -17.386 0.884 -7.049 1.00 0.00 C ATOM 108 CD2 TYR A 9 -15.015 0.553 -6.631 1.00 0.00 C ATOM 109 CE1 TYR A 9 -17.636 -0.436 -6.662 1.00 0.00 C ATOM 110 CE2 TYR A 9 -15.251 -0.784 -6.259 1.00 0.00 C ATOM 111 CZ TYR A 9 -16.574 -1.280 -6.282 1.00 0.00 C ATOM 112 OH TYR A 9 -16.849 -2.560 -5.929 1.00 0.00 O ATOM 0 H TYR A 9 -17.958 3.716 -8.621 1.00 0.00 H new ATOM 0 HA TYR A 9 -16.948 3.640 -5.874 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -15.828 2.874 -8.541 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.789 3.082 -7.144 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -18.204 1.516 -7.361 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -14.008 0.942 -6.608 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -18.649 -0.811 -6.654 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -14.432 -1.422 -5.960 1.00 0.00 H new ATOM 0 HH TYR A 9 -16.017 -3.020 -5.693 1.00 0.00 H new ATOM 122 N TYR A 10 -15.096 5.495 -6.131 1.00 0.00 N ATOM 123 CA TYR A 10 -14.332 6.718 -5.969 1.00 0.00 C ATOM 124 C TYR A 10 -12.896 6.292 -5.685 1.00 0.00 C ATOM 125 O TYR A 10 -12.629 5.790 -4.589 1.00 0.00 O ATOM 126 CB TYR A 10 -14.903 7.521 -4.797 1.00 0.00 C ATOM 127 CG TYR A 10 -16.325 8.005 -4.981 1.00 0.00 C ATOM 128 CD1 TYR A 10 -17.417 7.172 -4.665 1.00 0.00 C ATOM 129 CD2 TYR A 10 -16.543 9.311 -5.448 1.00 0.00 C ATOM 130 CE1 TYR A 10 -18.735 7.634 -4.826 1.00 0.00 C ATOM 131 CE2 TYR A 10 -17.854 9.790 -5.599 1.00 0.00 C ATOM 132 CZ TYR A 10 -18.951 8.947 -5.310 1.00 0.00 C ATOM 133 OH TYR A 10 -20.224 9.411 -5.439 1.00 0.00 O ATOM 0 H TYR A 10 -14.773 4.755 -5.507 1.00 0.00 H new ATOM 0 HA TYR A 10 -14.377 7.349 -6.856 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -14.859 6.905 -3.899 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -14.262 8.385 -4.622 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -17.240 6.172 -4.297 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -15.704 9.946 -5.691 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -19.572 6.996 -4.584 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -18.024 10.802 -5.936 1.00 0.00 H new ATOM 0 HH TYR A 10 -20.204 10.329 -5.782 1.00 0.00 H new ATOM 143 N PHE A 11 -12.014 6.379 -6.683 1.00 0.00 N ATOM 144 CA PHE A 11 -10.658 5.826 -6.679 1.00 0.00 C ATOM 145 C PHE A 11 -9.666 6.928 -7.082 1.00 0.00 C ATOM 146 O PHE A 11 -9.030 6.834 -8.128 1.00 0.00 O ATOM 147 CB PHE A 11 -10.565 4.548 -7.570 1.00 0.00 C ATOM 148 CG PHE A 11 -11.337 4.567 -8.883 1.00 0.00 C ATOM 149 CD1 PHE A 11 -10.784 5.115 -10.057 1.00 0.00 C ATOM 150 CD2 PHE A 11 -12.626 4.009 -8.937 1.00 0.00 C ATOM 151 CE1 PHE A 11 -11.538 5.152 -11.244 1.00 0.00 C ATOM 152 CE2 PHE A 11 -13.384 4.054 -10.122 1.00 0.00 C ATOM 153 CZ PHE A 11 -12.848 4.647 -11.275 1.00 0.00 C ATOM 0 H PHE A 11 -12.236 6.859 -7.555 1.00 0.00 H new ATOM 0 HA PHE A 11 -10.393 5.495 -5.675 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -9.514 4.368 -7.797 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.915 3.699 -6.983 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.778 5.508 -10.046 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.040 3.539 -8.057 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -11.105 5.573 -12.140 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -14.378 3.632 -10.144 1.00 0.00 H new ATOM 0 HZ PHE A 11 -13.437 4.714 -12.178 1.00 0.00 H new ATOM 163 N SER A 12 -9.513 7.982 -6.275 1.00 0.00 N ATOM 164 CA SER A 12 -8.477 9.006 -6.496 1.00 0.00 C ATOM 165 C SER A 12 -8.011 9.588 -5.152 1.00 0.00 C ATOM 166 O SER A 12 -8.623 9.287 -4.129 1.00 0.00 O ATOM 167 CB SER A 12 -9.010 10.122 -7.423 1.00 0.00 C ATOM 168 OG SER A 12 -10.044 9.717 -8.314 1.00 0.00 O ATOM 0 H SER A 12 -10.096 8.153 -5.456 1.00 0.00 H new ATOM 0 HA SER A 12 -7.621 8.540 -6.984 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.381 10.940 -6.806 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.179 10.516 -8.008 1.00 0.00 H new ATOM 0 HG SER A 12 -10.323 10.481 -8.860 1.00 0.00 H new ATOM 174 N TYR A 13 -6.988 10.450 -5.116 1.00 0.00 N ATOM 175 CA TYR A 13 -6.852 11.404 -4.009 1.00 0.00 C ATOM 176 C TYR A 13 -8.059 12.324 -4.044 1.00 0.00 C ATOM 177 O TYR A 13 -8.586 12.604 -5.131 1.00 0.00 O ATOM 178 CB TYR A 13 -5.602 12.272 -4.148 1.00 0.00 C ATOM 179 CG TYR A 13 -4.344 11.639 -3.592 1.00 0.00 C ATOM 180 CD1 TYR A 13 -4.097 11.740 -2.210 1.00 0.00 C ATOM 181 CD2 TYR A 13 -3.443 10.937 -4.415 1.00 0.00 C ATOM 182 CE1 TYR A 13 -2.968 11.128 -1.645 1.00 0.00 C ATOM 183 CE2 TYR A 13 -2.308 10.319 -3.853 1.00 0.00 C ATOM 184 CZ TYR A 13 -2.076 10.400 -2.459 1.00 0.00 C ATOM 185 OH TYR A 13 -0.989 9.810 -1.892 1.00 0.00 O ATOM 0 H TYR A 13 -6.256 10.507 -5.824 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.777 10.842 -3.078 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.446 12.499 -5.203 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.773 13.221 -3.640 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.780 12.292 -1.581 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.622 10.872 -5.478 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.782 11.215 -0.585 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.615 9.784 -4.486 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.472 9.345 -2.582 1.00 0.00 H new ATOM 195 N ALA A 14 -8.484 12.814 -2.884 1.00 0.00 N ATOM 196 CA ALA A 14 -9.698 13.598 -2.823 1.00 0.00 C ATOM 197 C ALA A 14 -9.505 15.004 -3.390 1.00 0.00 C ATOM 198 O ALA A 14 -10.461 15.595 -3.889 1.00 0.00 O ATOM 199 CB ALA A 14 -10.201 13.647 -1.382 1.00 0.00 C ATOM 0 H ALA A 14 -8.010 12.682 -1.990 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.448 13.114 -3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.116 14.238 -1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.405 12.635 -1.033 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.442 14.104 -0.747 1.00 0.00 H new ATOM 205 N ASP A 15 -8.276 15.520 -3.394 1.00 0.00 N ATOM 206 CA ASP A 15 -7.961 16.894 -3.793 1.00 0.00 C ATOM 207 C ASP A 15 -7.578 16.984 -5.273 1.00 0.00 C ATOM 208 O ASP A 15 -6.995 17.975 -5.709 1.00 0.00 O ATOM 209 CB ASP A 15 -6.918 17.512 -2.854 1.00 0.00 C ATOM 210 CG ASP A 15 -7.462 17.609 -1.429 1.00 0.00 C ATOM 211 OD1 ASP A 15 -8.467 18.332 -1.242 1.00 0.00 O ATOM 212 OD2 ASP A 15 -6.954 16.901 -0.530 1.00 0.00 O ATOM 0 H ASP A 15 -7.454 14.985 -3.114 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.864 17.495 -3.690 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.011 16.907 -2.862 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.643 18.504 -3.211 1.00 0.00 H new ATOM 217 N GLY A 16 -7.909 15.958 -6.063 1.00 0.00 N ATOM 218 CA GLY A 16 -7.824 16.010 -7.515 1.00 0.00 C ATOM 219 C GLY A 16 -6.512 15.434 -8.029 1.00 0.00 C ATOM 220 O GLY A 16 -5.771 16.104 -8.753 1.00 0.00 O ATOM 0 H GLY A 16 -8.245 15.064 -5.704 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.657 15.456 -7.947 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.921 17.044 -7.847 1.00 0.00 H new ATOM 224 N GLY A 17 -6.213 14.172 -7.712 1.00 0.00 N ATOM 225 CA GLY A 17 -5.063 13.549 -8.340 1.00 0.00 C ATOM 226 C GLY A 17 -4.830 12.101 -7.984 1.00 0.00 C ATOM 227 O GLY A 17 -5.697 11.416 -7.441 1.00 0.00 O ATOM 0 H GLY A 17 -6.729 13.589 -7.053 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.177 13.625 -9.421 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.173 14.118 -8.072 1.00 0.00 H new ATOM 231 N THR A 18 -3.661 11.624 -8.390 1.00 0.00 N ATOM 232 CA THR A 18 -3.331 10.212 -8.489 1.00 0.00 C ATOM 233 C THR A 18 -1.925 9.896 -7.976 1.00 0.00 C ATOM 234 O THR A 18 -1.452 8.769 -8.118 1.00 0.00 O ATOM 235 CB THR A 18 -3.545 9.753 -9.941 1.00 0.00 C ATOM 236 OG1 THR A 18 -3.132 10.712 -10.903 1.00 0.00 O ATOM 237 CG2 THR A 18 -5.030 9.490 -10.179 1.00 0.00 C ATOM 0 H THR A 18 -2.891 12.232 -8.669 1.00 0.00 H new ATOM 0 HA THR A 18 -3.998 9.649 -7.836 1.00 0.00 H new ATOM 0 HB THR A 18 -2.938 8.856 -10.065 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.292 10.361 -11.804 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.182 9.165 -11.208 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.375 8.712 -9.498 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.595 10.405 -10.001 1.00 0.00 H new ATOM 245 N SER A 19 -1.232 10.865 -7.379 1.00 0.00 N ATOM 246 CA SER A 19 0.096 10.650 -6.840 1.00 0.00 C ATOM 247 C SER A 19 0.423 11.767 -5.863 1.00 0.00 C ATOM 248 O SER A 19 -0.141 12.862 -5.943 1.00 0.00 O ATOM 249 CB SER A 19 1.072 10.609 -8.024 1.00 0.00 C ATOM 250 OG SER A 19 2.439 10.729 -7.682 1.00 0.00 O ATOM 0 H SER A 19 -1.581 11.816 -7.259 1.00 0.00 H new ATOM 0 HA SER A 19 0.168 9.711 -6.291 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.929 9.671 -8.560 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.815 11.412 -8.714 1.00 0.00 H new ATOM 0 HG SER A 19 2.682 10.019 -7.051 1.00 0.00 H new ATOM 256 N HIS A 20 1.391 11.491 -5.002 1.00 0.00 N ATOM 257 CA HIS A 20 2.059 12.446 -4.145 1.00 0.00 C ATOM 258 C HIS A 20 3.528 12.422 -4.583 1.00 0.00 C ATOM 259 O HIS A 20 4.106 11.342 -4.741 1.00 0.00 O ATOM 260 CB HIS A 20 1.830 12.031 -2.680 1.00 0.00 C ATOM 261 CG HIS A 20 0.991 13.009 -1.894 1.00 0.00 C ATOM 262 ND1 HIS A 20 -0.375 13.181 -1.968 1.00 0.00 N ATOM 263 CD2 HIS A 20 1.459 13.851 -0.925 1.00 0.00 C ATOM 264 CE1 HIS A 20 -0.712 14.112 -1.059 1.00 0.00 C ATOM 265 NE2 HIS A 20 0.371 14.559 -0.402 1.00 0.00 N ATOM 0 H HIS A 20 1.747 10.543 -4.880 1.00 0.00 H new ATOM 0 HA HIS A 20 1.684 13.466 -4.224 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.347 11.054 -2.660 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.796 11.919 -2.189 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -1.012 12.692 -2.597 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.489 13.952 -0.616 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.720 14.455 -0.880 1.00 0.00 H new ATOM 273 N THR A 21 4.122 13.583 -4.856 1.00 0.00 N ATOM 274 CA THR A 21 5.564 13.723 -4.996 1.00 0.00 C ATOM 275 C THR A 21 5.994 14.931 -4.178 1.00 0.00 C ATOM 276 O THR A 21 5.558 16.053 -4.450 1.00 0.00 O ATOM 277 CB THR A 21 6.053 13.796 -6.454 1.00 0.00 C ATOM 278 OG1 THR A 21 5.635 12.657 -7.188 1.00 0.00 O ATOM 279 CG2 THR A 21 7.582 13.835 -6.480 1.00 0.00 C ATOM 0 H THR A 21 3.610 14.456 -4.986 1.00 0.00 H new ATOM 0 HA THR A 21 6.038 12.818 -4.616 1.00 0.00 H new ATOM 0 HB THR A 21 5.631 14.695 -6.903 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.240 12.001 -6.577 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.927 13.887 -7.513 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.933 14.712 -5.936 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.977 12.934 -6.010 1.00 0.00 H new ATOM 287 N GLU A 22 6.860 14.705 -3.194 1.00 0.00 N ATOM 288 CA GLU A 22 7.408 15.759 -2.360 1.00 0.00 C ATOM 289 C GLU A 22 8.905 15.818 -2.616 1.00 0.00 C ATOM 290 O GLU A 22 9.561 14.793 -2.846 1.00 0.00 O ATOM 291 CB GLU A 22 7.087 15.533 -0.870 1.00 0.00 C ATOM 292 CG GLU A 22 5.890 16.371 -0.388 1.00 0.00 C ATOM 293 CD GLU A 22 4.507 15.799 -0.715 1.00 0.00 C ATOM 294 OE1 GLU A 22 4.343 15.046 -1.706 1.00 0.00 O ATOM 295 OE2 GLU A 22 3.569 16.068 0.068 1.00 0.00 O ATOM 0 H GLU A 22 7.202 13.774 -2.955 1.00 0.00 H new ATOM 0 HA GLU A 22 6.951 16.715 -2.617 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.876 14.477 -0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.964 15.781 -0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.967 16.493 0.692 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.965 17.366 -0.828 1.00 0.00 H new ATOM 302 N TYR A 23 9.426 17.040 -2.562 1.00 0.00 N ATOM 303 CA TYR A 23 10.822 17.364 -2.758 1.00 0.00 C ATOM 304 C TYR A 23 11.243 18.262 -1.584 1.00 0.00 C ATOM 305 O TYR A 23 11.325 19.482 -1.763 1.00 0.00 O ATOM 306 CB TYR A 23 10.997 18.065 -4.118 1.00 0.00 C ATOM 307 CG TYR A 23 10.618 17.288 -5.370 1.00 0.00 C ATOM 308 CD1 TYR A 23 9.314 17.356 -5.900 1.00 0.00 C ATOM 309 CD2 TYR A 23 11.602 16.555 -6.053 1.00 0.00 C ATOM 310 CE1 TYR A 23 8.998 16.707 -7.111 1.00 0.00 C ATOM 311 CE2 TYR A 23 11.302 15.912 -7.267 1.00 0.00 C ATOM 312 CZ TYR A 23 9.999 15.991 -7.810 1.00 0.00 C ATOM 313 OH TYR A 23 9.720 15.377 -8.998 1.00 0.00 O ATOM 0 H TYR A 23 8.855 17.863 -2.371 1.00 0.00 H new ATOM 0 HA TYR A 23 11.452 16.475 -2.776 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.407 18.981 -4.101 1.00 0.00 H new ATOM 0 HB3 TYR A 23 12.042 18.360 -4.211 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.550 17.910 -5.374 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.598 16.484 -5.642 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.994 16.756 -7.505 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.069 15.356 -7.786 1.00 0.00 H new ATOM 0 HH TYR A 23 10.527 14.934 -9.335 1.00 0.00 H new ATOM 323 N PRO A 24 11.421 17.721 -0.366 1.00 0.00 N ATOM 324 CA PRO A 24 11.841 18.510 0.786 1.00 0.00 C ATOM 325 C PRO A 24 13.335 18.849 0.696 1.00 0.00 C ATOM 326 O PRO A 24 14.038 18.389 -0.213 1.00 0.00 O ATOM 327 CB PRO A 24 11.491 17.645 1.992 1.00 0.00 C ATOM 328 CG PRO A 24 11.704 16.230 1.472 1.00 0.00 C ATOM 329 CD PRO A 24 11.230 16.328 0.022 1.00 0.00 C ATOM 0 HA PRO A 24 11.344 19.478 0.849 1.00 0.00 H new ATOM 0 HB2 PRO A 24 12.134 17.863 2.845 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.463 17.805 2.319 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.749 15.928 1.536 1.00 0.00 H new ATOM 0 HG3 PRO A 24 11.126 15.500 2.038 1.00 0.00 H new ATOM 0 HD2 PRO A 24 11.802 15.661 -0.622 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.183 16.037 -0.068 1.00 0.00 H new ATOM 337 N ASP A 25 13.836 19.662 1.627 1.00 0.00 N ATOM 338 CA ASP A 25 15.116 20.360 1.446 1.00 0.00 C ATOM 339 C ASP A 25 15.997 20.370 2.685 1.00 0.00 C ATOM 340 O ASP A 25 17.128 20.852 2.604 1.00 0.00 O ATOM 341 CB ASP A 25 14.902 21.798 0.936 1.00 0.00 C ATOM 342 CG ASP A 25 14.552 22.764 2.070 1.00 0.00 C ATOM 343 OD1 ASP A 25 13.499 22.536 2.712 1.00 0.00 O ATOM 344 OD2 ASP A 25 15.321 23.721 2.327 1.00 0.00 O ATOM 0 H ASP A 25 13.376 19.856 2.517 1.00 0.00 H new ATOM 0 HA ASP A 25 15.651 19.783 0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 25 15.806 22.142 0.433 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.103 21.804 0.195 1.00 0.00 H new ATOM 349 N ASP A 26 15.529 19.799 3.794 1.00 0.00 N ATOM 350 CA ASP A 26 16.283 19.765 5.038 1.00 0.00 C ATOM 351 C ASP A 26 16.032 18.452 5.763 1.00 0.00 C ATOM 352 O ASP A 26 16.965 17.665 5.898 1.00 0.00 O ATOM 353 CB ASP A 26 15.973 20.992 5.918 1.00 0.00 C ATOM 354 CG ASP A 26 17.154 21.952 5.987 1.00 0.00 C ATOM 355 OD1 ASP A 26 18.265 21.480 6.332 1.00 0.00 O ATOM 356 OD2 ASP A 26 16.953 23.169 5.771 1.00 0.00 O ATOM 0 H ASP A 26 14.616 19.348 3.851 1.00 0.00 H new ATOM 0 HA ASP A 26 17.347 19.818 4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.103 21.514 5.520 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.714 20.662 6.924 1.00 0.00 H new ATOM 361 N SER A 27 14.808 18.206 6.235 1.00 0.00 N ATOM 362 CA SER A 27 14.489 17.099 7.131 1.00 0.00 C ATOM 363 C SER A 27 12.994 16.719 7.087 1.00 0.00 C ATOM 364 O SER A 27 12.555 15.979 7.968 1.00 0.00 O ATOM 365 CB SER A 27 14.918 17.536 8.547 1.00 0.00 C ATOM 366 OG SER A 27 14.880 16.477 9.480 1.00 0.00 O ATOM 0 H SER A 27 13.999 18.781 6.000 1.00 0.00 H new ATOM 0 HA SER A 27 15.022 16.201 6.820 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.928 17.943 8.507 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.265 18.339 8.888 1.00 0.00 H new ATOM 0 HG SER A 27 14.087 15.925 9.316 1.00 0.00 H new ATOM 372 N SER A 28 12.187 17.244 6.151 1.00 0.00 N ATOM 373 CA SER A 28 10.726 17.137 6.207 1.00 0.00 C ATOM 374 C SER A 28 10.228 15.692 6.013 1.00 0.00 C ATOM 375 O SER A 28 10.004 15.250 4.886 1.00 0.00 O ATOM 376 CB SER A 28 10.080 18.103 5.200 1.00 0.00 C ATOM 377 OG SER A 28 10.890 19.256 4.999 1.00 0.00 O ATOM 0 H SER A 28 12.531 17.753 5.337 1.00 0.00 H new ATOM 0 HA SER A 28 10.416 17.427 7.211 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.927 17.592 4.249 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.097 18.405 5.561 1.00 0.00 H new ATOM 0 HG SER A 28 10.456 19.852 4.353 1.00 0.00 H new ATOM 383 N ALA A 29 10.050 14.969 7.118 1.00 0.00 N ATOM 384 CA ALA A 29 9.508 13.620 7.228 1.00 0.00 C ATOM 385 C ALA A 29 8.792 13.537 8.587 1.00 0.00 C ATOM 386 O ALA A 29 9.249 14.198 9.529 1.00 0.00 O ATOM 387 CB ALA A 29 10.683 12.635 7.142 1.00 0.00 C ATOM 0 H ALA A 29 10.302 15.344 8.032 1.00 0.00 H new ATOM 0 HA ALA A 29 8.800 13.378 6.435 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.309 11.614 7.221 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.194 12.761 6.188 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.381 12.830 7.956 1.00 0.00 H new ATOM 393 N GLY A 30 7.700 12.779 8.758 1.00 0.00 N ATOM 394 CA GLY A 30 6.929 12.822 9.990 1.00 0.00 C ATOM 395 C GLY A 30 5.593 12.123 9.794 1.00 0.00 C ATOM 396 O GLY A 30 5.302 11.609 8.711 1.00 0.00 O ATOM 0 H GLY A 30 7.338 12.133 8.056 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.486 12.340 10.794 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.766 13.857 10.291 1.00 0.00 H new ATOM 400 N SER A 31 4.777 12.092 10.844 1.00 0.00 N ATOM 401 CA SER A 31 3.500 11.396 10.860 1.00 0.00 C ATOM 402 C SER A 31 2.360 12.397 10.626 1.00 0.00 C ATOM 403 O SER A 31 2.168 13.325 11.423 1.00 0.00 O ATOM 404 CB SER A 31 3.346 10.710 12.219 1.00 0.00 C ATOM 405 OG SER A 31 4.345 9.724 12.428 1.00 0.00 O ATOM 0 H SER A 31 4.992 12.561 11.724 1.00 0.00 H new ATOM 0 HA SER A 31 3.462 10.649 10.067 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.401 11.457 13.011 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.361 10.248 12.284 1.00 0.00 H new ATOM 0 HG SER A 31 4.216 9.308 13.306 1.00 0.00 H new ATOM 411 N PHE A 32 1.613 12.243 9.535 1.00 0.00 N ATOM 412 CA PHE A 32 0.451 13.069 9.186 1.00 0.00 C ATOM 413 C PHE A 32 -0.675 12.200 8.605 1.00 0.00 C ATOM 414 O PHE A 32 -0.686 10.977 8.784 1.00 0.00 O ATOM 415 CB PHE A 32 0.883 14.254 8.295 1.00 0.00 C ATOM 416 CG PHE A 32 1.805 13.953 7.136 1.00 0.00 C ATOM 417 CD1 PHE A 32 1.291 13.656 5.859 1.00 0.00 C ATOM 418 CD2 PHE A 32 3.194 14.056 7.328 1.00 0.00 C ATOM 419 CE1 PHE A 32 2.174 13.440 4.787 1.00 0.00 C ATOM 420 CE2 PHE A 32 4.071 13.892 6.247 1.00 0.00 C ATOM 421 CZ PHE A 32 3.561 13.580 4.979 1.00 0.00 C ATOM 0 H PHE A 32 1.803 11.517 8.844 1.00 0.00 H new ATOM 0 HA PHE A 32 0.028 13.521 10.083 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.017 14.721 7.896 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.371 14.993 8.931 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.224 13.595 5.704 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.587 14.262 8.313 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.788 13.167 3.816 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.135 14.006 6.390 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.235 13.447 4.146 1.00 0.00 H new ATOM 431 N ILE A 33 -1.676 12.819 7.979 1.00 0.00 N ATOM 432 CA ILE A 33 -2.832 12.183 7.360 1.00 0.00 C ATOM 433 C ILE A 33 -2.949 12.731 5.927 1.00 0.00 C ATOM 434 O ILE A 33 -2.447 13.813 5.611 1.00 0.00 O ATOM 435 CB ILE A 33 -4.095 12.401 8.245 1.00 0.00 C ATOM 436 CG1 ILE A 33 -3.835 11.869 9.681 1.00 0.00 C ATOM 437 CG2 ILE A 33 -5.336 11.726 7.624 1.00 0.00 C ATOM 438 CD1 ILE A 33 -5.027 11.884 10.644 1.00 0.00 C ATOM 0 H ILE A 33 -1.700 13.835 7.887 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.723 11.101 7.289 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.297 13.471 8.299 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.472 10.844 9.604 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.032 12.459 10.123 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.201 11.896 8.265 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.526 12.150 6.638 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.159 10.655 7.530 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.718 11.489 11.612 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.383 12.907 10.766 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.829 11.267 10.240 1.00 0.00 H new ATOM 450 N LEU A 34 -3.591 11.955 5.053 1.00 0.00 N ATOM 451 CA LEU A 34 -3.947 12.301 3.685 1.00 0.00 C ATOM 452 C LEU A 34 -5.399 11.884 3.491 1.00 0.00 C ATOM 453 O LEU A 34 -5.844 10.924 4.134 1.00 0.00 O ATOM 454 CB LEU A 34 -3.107 11.489 2.689 1.00 0.00 C ATOM 455 CG LEU A 34 -1.595 11.710 2.773 1.00 0.00 C ATOM 456 CD1 LEU A 34 -0.871 10.634 1.965 1.00 0.00 C ATOM 457 CD2 LEU A 34 -1.203 13.089 2.272 1.00 0.00 C ATOM 0 H LEU A 34 -3.892 11.013 5.300 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.782 13.365 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.312 10.430 2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.437 11.731 1.679 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.301 11.642 3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.205 10.795 2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.115 9.651 2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.186 10.688 0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.122 13.210 2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.509 13.199 1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.696 13.850 2.877 1.00 0.00 H new ATOM 469 N ASP A 35 -6.093 12.506 2.541 1.00 0.00 N ATOM 470 CA ASP A 35 -7.474 12.187 2.200 1.00 0.00 C ATOM 471 C ASP A 35 -7.482 11.487 0.850 1.00 0.00 C ATOM 472 O ASP A 35 -7.386 12.113 -0.206 1.00 0.00 O ATOM 473 CB ASP A 35 -8.368 13.430 2.221 1.00 0.00 C ATOM 474 CG ASP A 35 -8.849 13.739 3.635 1.00 0.00 C ATOM 475 OD1 ASP A 35 -9.788 13.057 4.117 1.00 0.00 O ATOM 476 OD2 ASP A 35 -8.281 14.641 4.288 1.00 0.00 O ATOM 0 H ASP A 35 -5.702 13.260 1.977 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.894 11.518 2.951 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.817 14.284 1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.227 13.275 1.568 1.00 0.00 H new ATOM 481 N ILE A 36 -7.544 10.159 0.879 1.00 0.00 N ATOM 482 CA ILE A 36 -7.701 9.352 -0.319 1.00 0.00 C ATOM 483 C ILE A 36 -9.177 8.978 -0.386 1.00 0.00 C ATOM 484 O ILE A 36 -9.815 8.703 0.631 1.00 0.00 O ATOM 485 CB ILE A 36 -6.738 8.143 -0.296 1.00 0.00 C ATOM 486 CG1 ILE A 36 -5.263 8.609 -0.242 1.00 0.00 C ATOM 487 CG2 ILE A 36 -6.880 7.262 -1.547 1.00 0.00 C ATOM 488 CD1 ILE A 36 -4.699 8.657 1.177 1.00 0.00 C ATOM 0 H ILE A 36 -7.486 9.614 1.739 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.430 9.891 -1.227 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.004 7.572 0.593 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.654 7.936 -0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.185 9.599 -0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.183 6.426 -1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.899 6.881 -1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.658 7.853 -2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.662 8.991 1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.286 9.351 1.778 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.746 7.663 1.621 1.00 0.00 H new ATOM 500 N THR A 37 -9.714 8.947 -1.594 1.00 0.00 N ATOM 501 CA THR A 37 -11.031 8.431 -1.891 1.00 0.00 C ATOM 502 C THR A 37 -10.850 6.938 -2.173 1.00 0.00 C ATOM 503 O THR A 37 -10.178 6.563 -3.142 1.00 0.00 O ATOM 504 CB THR A 37 -11.669 9.201 -3.069 1.00 0.00 C ATOM 505 OG1 THR A 37 -10.984 10.381 -3.440 1.00 0.00 O ATOM 506 CG2 THR A 37 -13.072 9.629 -2.666 1.00 0.00 C ATOM 0 H THR A 37 -9.225 9.293 -2.420 1.00 0.00 H new ATOM 0 HA THR A 37 -11.723 8.566 -1.060 1.00 0.00 H new ATOM 0 HB THR A 37 -11.641 8.516 -3.917 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.161 10.145 -3.916 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.536 10.174 -3.488 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.669 8.747 -2.433 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.018 10.273 -1.788 1.00 0.00 H new ATOM 514 N SER A 38 -11.388 6.083 -1.298 1.00 0.00 N ATOM 515 CA SER A 38 -11.182 4.640 -1.381 1.00 0.00 C ATOM 516 C SER A 38 -12.482 3.907 -1.046 1.00 0.00 C ATOM 517 O SER A 38 -12.518 3.109 -0.112 1.00 0.00 O ATOM 518 CB SER A 38 -10.006 4.202 -0.477 1.00 0.00 C ATOM 519 OG SER A 38 -8.992 5.180 -0.358 1.00 0.00 O ATOM 0 H SER A 38 -11.976 6.373 -0.517 1.00 0.00 H new ATOM 0 HA SER A 38 -10.908 4.372 -2.402 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.390 3.965 0.515 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.571 3.286 -0.878 1.00 0.00 H new ATOM 0 HG SER A 38 -8.383 4.933 0.369 1.00 0.00 H new ATOM 525 N TYR A 39 -13.582 4.193 -1.751 1.00 0.00 N ATOM 526 CA TYR A 39 -14.865 3.588 -1.398 1.00 0.00 C ATOM 527 C TYR A 39 -15.813 3.448 -2.575 1.00 0.00 C ATOM 528 O TYR A 39 -15.616 4.041 -3.642 1.00 0.00 O ATOM 529 CB TYR A 39 -15.532 4.434 -0.295 1.00 0.00 C ATOM 530 CG TYR A 39 -16.112 5.763 -0.748 1.00 0.00 C ATOM 531 CD1 TYR A 39 -15.306 6.914 -0.773 1.00 0.00 C ATOM 532 CD2 TYR A 39 -17.472 5.860 -1.104 1.00 0.00 C ATOM 533 CE1 TYR A 39 -15.861 8.154 -1.117 1.00 0.00 C ATOM 534 CE2 TYR A 39 -18.026 7.095 -1.485 1.00 0.00 C ATOM 535 CZ TYR A 39 -17.212 8.248 -1.500 1.00 0.00 C ATOM 536 OH TYR A 39 -17.716 9.446 -1.894 1.00 0.00 O ATOM 0 H TYR A 39 -13.609 4.825 -2.551 1.00 0.00 H new ATOM 0 HA TYR A 39 -14.657 2.577 -1.048 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -16.330 3.845 0.157 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -14.796 4.626 0.486 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -14.257 6.843 -0.527 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -18.095 4.978 -1.084 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -15.248 9.043 -1.088 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -19.067 7.161 -1.764 1.00 0.00 H new ATOM 0 HH TYR A 39 -18.076 9.367 -2.802 1.00 0.00 H new ATOM 546 N LYS A 40 -16.879 2.678 -2.335 1.00 0.00 N ATOM 547 CA LYS A 40 -17.996 2.500 -3.241 1.00 0.00 C ATOM 548 C LYS A 40 -19.272 2.955 -2.554 1.00 0.00 C ATOM 549 O LYS A 40 -19.441 2.788 -1.346 1.00 0.00 O ATOM 550 CB LYS A 40 -18.069 1.049 -3.740 1.00 0.00 C ATOM 551 CG LYS A 40 -18.311 -0.011 -2.644 1.00 0.00 C ATOM 552 CD LYS A 40 -19.525 -0.906 -2.932 1.00 0.00 C ATOM 553 CE LYS A 40 -19.148 -2.143 -3.766 1.00 0.00 C ATOM 554 NZ LYS A 40 -20.080 -3.281 -3.576 1.00 0.00 N ATOM 0 H LYS A 40 -16.982 2.146 -1.471 1.00 0.00 H new ATOM 0 HA LYS A 40 -17.858 3.116 -4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.868 0.975 -4.478 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.138 0.811 -4.254 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.422 -0.634 -2.547 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.455 0.490 -1.687 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.970 -1.226 -1.990 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.282 -0.329 -3.462 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -19.128 -1.870 -4.821 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -18.139 -2.459 -3.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.773 -4.083 -4.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.082 -3.565 -2.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -21.040 -2.994 -3.856 1.00 0.00 H new ATOM 568 N LYS A 41 -20.172 3.524 -3.337 1.00 0.00 N ATOM 569 CA LYS A 41 -21.503 3.965 -2.983 1.00 0.00 C ATOM 570 C LYS A 41 -22.475 3.067 -3.728 1.00 0.00 C ATOM 571 O LYS A 41 -22.181 2.629 -4.839 1.00 0.00 O ATOM 572 CB LYS A 41 -21.632 5.435 -3.402 1.00 0.00 C ATOM 573 CG LYS A 41 -23.034 6.012 -3.188 1.00 0.00 C ATOM 574 CD LYS A 41 -22.994 7.539 -3.064 1.00 0.00 C ATOM 575 CE LYS A 41 -22.760 7.905 -1.593 1.00 0.00 C ATOM 576 NZ LYS A 41 -22.734 9.353 -1.342 1.00 0.00 N ATOM 0 H LYS A 41 -19.969 3.703 -4.320 1.00 0.00 H new ATOM 0 HA LYS A 41 -21.711 3.899 -1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.913 6.029 -2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -21.366 5.529 -4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -23.677 5.729 -4.021 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -23.473 5.583 -2.287 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -22.199 7.948 -3.687 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -23.930 7.972 -3.417 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -23.545 7.454 -0.986 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -21.815 7.471 -1.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -22.572 9.527 -0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -21.968 9.787 -1.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -23.644 9.771 -1.624 1.00 0.00 H new ATOM 590 N THR A 42 -23.587 2.759 -3.075 1.00 0.00 N ATOM 591 CA THR A 42 -24.700 1.968 -3.567 1.00 0.00 C ATOM 592 C THR A 42 -25.791 2.070 -2.485 1.00 0.00 C ATOM 593 O THR A 42 -25.537 2.613 -1.401 1.00 0.00 O ATOM 594 CB THR A 42 -24.225 0.533 -3.909 1.00 0.00 C ATOM 595 OG1 THR A 42 -25.291 -0.336 -4.216 1.00 0.00 O ATOM 596 CG2 THR A 42 -23.375 -0.134 -2.817 1.00 0.00 C ATOM 0 H THR A 42 -23.743 3.080 -2.119 1.00 0.00 H new ATOM 0 HA THR A 42 -25.118 2.328 -4.507 1.00 0.00 H new ATOM 0 HB THR A 42 -23.598 0.687 -4.787 1.00 0.00 H new ATOM 0 HG1 THR A 42 -24.938 -1.226 -4.426 1.00 0.00 H new ATOM 0 HG21 THR A 42 -23.087 -1.134 -3.140 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.480 0.462 -2.638 1.00 0.00 H new ATOM 0 HG23 THR A 42 -23.955 -0.203 -1.896 1.00 0.00 H new ATOM 604 N GLY A 43 -26.993 1.558 -2.769 1.00 0.00 N ATOM 605 CA GLY A 43 -28.128 1.474 -1.861 1.00 0.00 C ATOM 606 C GLY A 43 -28.356 2.773 -1.093 1.00 0.00 C ATOM 607 O GLY A 43 -28.881 3.744 -1.647 1.00 0.00 O ATOM 0 H GLY A 43 -27.205 1.172 -3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -29.026 1.228 -2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -27.965 0.661 -1.154 1.00 0.00 H new ATOM 611 N ASN A 44 -27.945 2.800 0.172 1.00 0.00 N ATOM 612 CA ASN A 44 -27.951 3.969 1.051 1.00 0.00 C ATOM 613 C ASN A 44 -26.748 3.892 2.001 1.00 0.00 C ATOM 614 O ASN A 44 -26.885 4.091 3.208 1.00 0.00 O ATOM 615 CB ASN A 44 -29.278 4.027 1.825 1.00 0.00 C ATOM 616 CG ASN A 44 -29.440 5.308 2.621 1.00 0.00 C ATOM 617 OD1 ASN A 44 -28.847 6.341 2.321 1.00 0.00 O ATOM 618 ND2 ASN A 44 -30.309 5.289 3.610 1.00 0.00 N ATOM 0 H ASN A 44 -27.581 1.968 0.636 1.00 0.00 H new ATOM 0 HA ASN A 44 -27.866 4.883 0.464 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -30.107 3.934 1.123 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -29.336 3.175 2.502 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -30.498 6.140 4.139 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -30.793 4.423 3.847 1.00 0.00 H new ATOM 625 N SER A 45 -25.585 3.488 1.488 1.00 0.00 N ATOM 626 CA SER A 45 -24.374 3.287 2.273 1.00 0.00 C ATOM 627 C SER A 45 -23.130 3.647 1.449 1.00 0.00 C ATOM 628 O SER A 45 -23.206 3.777 0.220 1.00 0.00 O ATOM 629 CB SER A 45 -24.304 1.816 2.714 1.00 0.00 C ATOM 630 OG SER A 45 -25.579 1.238 2.968 1.00 0.00 O ATOM 0 H SER A 45 -25.460 3.288 0.496 1.00 0.00 H new ATOM 0 HA SER A 45 -24.402 3.936 3.148 1.00 0.00 H new ATOM 0 HB2 SER A 45 -23.799 1.237 1.941 1.00 0.00 H new ATOM 0 HB3 SER A 45 -23.695 1.744 3.615 1.00 0.00 H new ATOM 0 HG SER A 45 -25.466 0.304 3.242 1.00 0.00 H new ATOM 636 N THR A 46 -21.973 3.722 2.111 1.00 0.00 N ATOM 637 CA THR A 46 -20.661 3.740 1.465 1.00 0.00 C ATOM 638 C THR A 46 -19.697 2.799 2.187 1.00 0.00 C ATOM 639 O THR A 46 -19.229 3.133 3.285 1.00 0.00 O ATOM 640 CB THR A 46 -20.063 5.156 1.353 1.00 0.00 C ATOM 641 OG1 THR A 46 -19.957 5.832 2.589 1.00 0.00 O ATOM 642 CG2 THR A 46 -20.854 6.052 0.410 1.00 0.00 C ATOM 0 H THR A 46 -21.922 3.773 3.128 1.00 0.00 H new ATOM 0 HA THR A 46 -20.809 3.387 0.444 1.00 0.00 H new ATOM 0 HB THR A 46 -19.063 4.978 0.959 1.00 0.00 H new ATOM 0 HG1 THR A 46 -19.664 5.204 3.282 1.00 0.00 H new ATOM 0 HG21 THR A 46 -20.389 7.037 0.369 1.00 0.00 H new ATOM 0 HG22 THR A 46 -20.863 5.613 -0.587 1.00 0.00 H new ATOM 0 HG23 THR A 46 -21.877 6.149 0.773 1.00 0.00 H new ATOM 650 N LYS A 47 -19.408 1.629 1.610 1.00 0.00 N ATOM 651 CA LYS A 47 -18.381 0.741 2.148 1.00 0.00 C ATOM 652 C LYS A 47 -17.037 1.276 1.672 1.00 0.00 C ATOM 653 O LYS A 47 -16.847 1.416 0.458 1.00 0.00 O ATOM 654 CB LYS A 47 -18.596 -0.722 1.705 1.00 0.00 C ATOM 655 CG LYS A 47 -18.151 -1.667 2.835 1.00 0.00 C ATOM 656 CD LYS A 47 -18.083 -3.146 2.429 1.00 0.00 C ATOM 657 CE LYS A 47 -16.755 -3.453 1.725 1.00 0.00 C ATOM 658 NZ LYS A 47 -16.536 -4.903 1.559 1.00 0.00 N ATOM 0 H LYS A 47 -19.871 1.278 0.772 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.426 0.728 3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.646 -0.891 1.467 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -18.026 -0.927 0.799 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.169 -1.354 3.190 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.841 -1.563 3.673 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -18.187 -3.776 3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -18.915 -3.386 1.767 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.744 -2.971 0.747 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.933 -3.026 2.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.628 -5.064 1.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.520 -5.361 2.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -17.306 -5.307 0.988 1.00 0.00 H new ATOM 672 N ALA A 48 -16.138 1.611 2.597 1.00 0.00 N ATOM 673 CA ALA A 48 -14.747 1.840 2.236 1.00 0.00 C ATOM 674 C ALA A 48 -14.148 0.511 1.778 1.00 0.00 C ATOM 675 O ALA A 48 -14.568 -0.551 2.244 1.00 0.00 O ATOM 676 CB ALA A 48 -13.967 2.420 3.419 1.00 0.00 C ATOM 0 H ALA A 48 -16.348 1.728 3.588 1.00 0.00 H new ATOM 0 HA ALA A 48 -14.686 2.568 1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.930 2.583 3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.413 3.368 3.719 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.002 1.722 4.255 1.00 0.00 H new ATOM 682 N LEU A 49 -13.155 0.581 0.894 1.00 0.00 N ATOM 683 CA LEU A 49 -12.384 -0.543 0.396 1.00 0.00 C ATOM 684 C LEU A 49 -10.947 -0.280 0.755 1.00 0.00 C ATOM 685 O LEU A 49 -10.325 0.675 0.281 1.00 0.00 O ATOM 686 CB LEU A 49 -12.508 -0.726 -1.117 1.00 0.00 C ATOM 687 CG LEU A 49 -13.918 -1.099 -1.563 1.00 0.00 C ATOM 688 CD1 LEU A 49 -13.933 -1.591 -2.998 1.00 0.00 C ATOM 689 CD2 LEU A 49 -14.592 -2.212 -0.761 1.00 0.00 C ATOM 0 H LEU A 49 -12.856 1.468 0.489 1.00 0.00 H new ATOM 0 HA LEU A 49 -12.763 -1.460 0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.209 0.197 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.814 -1.502 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 49 -14.464 -0.167 -1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -14.953 -1.848 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.559 -0.806 -3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -13.298 -2.472 -3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.589 -2.397 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -13.998 -3.123 -0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.671 -1.911 0.284 1.00 0.00 H new ATOM 701 N SER A 50 -10.454 -1.135 1.626 1.00 0.00 N ATOM 702 CA SER A 50 -9.122 -1.038 2.158 1.00 0.00 C ATOM 703 C SER A 50 -8.102 -1.302 1.059 1.00 0.00 C ATOM 704 O SER A 50 -8.346 -2.054 0.107 1.00 0.00 O ATOM 705 CB SER A 50 -9.002 -2.005 3.336 1.00 0.00 C ATOM 706 OG SER A 50 -9.997 -1.663 4.287 1.00 0.00 O ATOM 0 H SER A 50 -10.982 -1.929 1.987 1.00 0.00 H new ATOM 0 HA SER A 50 -8.917 -0.033 2.528 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.134 -3.033 3.000 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.010 -1.940 3.783 1.00 0.00 H new ATOM 0 HG SER A 50 -9.941 -2.272 5.053 1.00 0.00 H new ATOM 712 N TRP A 51 -6.943 -0.678 1.203 1.00 0.00 N ATOM 713 CA TRP A 51 -5.817 -0.849 0.309 1.00 0.00 C ATOM 714 C TRP A 51 -4.610 -1.376 1.069 1.00 0.00 C ATOM 715 O TRP A 51 -4.527 -1.288 2.299 1.00 0.00 O ATOM 716 CB TRP A 51 -5.546 0.458 -0.460 1.00 0.00 C ATOM 717 CG TRP A 51 -5.003 1.624 0.305 1.00 0.00 C ATOM 718 CD1 TRP A 51 -3.691 1.931 0.430 1.00 0.00 C ATOM 719 CD2 TRP A 51 -5.728 2.685 0.997 1.00 0.00 C ATOM 720 NE1 TRP A 51 -3.555 3.106 1.137 1.00 0.00 N ATOM 721 CE2 TRP A 51 -4.778 3.623 1.500 1.00 0.00 C ATOM 722 CE3 TRP A 51 -7.090 2.954 1.250 1.00 0.00 C ATOM 723 CZ2 TRP A 51 -5.158 4.790 2.176 1.00 0.00 C ATOM 724 CZ3 TRP A 51 -7.478 4.101 1.967 1.00 0.00 C ATOM 725 CH2 TRP A 51 -6.521 5.038 2.393 1.00 0.00 C ATOM 0 H TRP A 51 -6.759 -0.024 1.964 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.051 -1.603 -0.443 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -4.847 0.233 -1.266 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.480 0.771 -0.927 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -2.875 1.344 0.036 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -2.659 3.539 1.363 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -7.844 2.271 0.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -4.412 5.488 2.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -8.522 4.263 2.192 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.834 5.946 2.886 1.00 0.00 H new ATOM 736 N ASN A 52 -3.686 -1.939 0.297 1.00 0.00 N ATOM 737 CA ASN A 52 -2.369 -2.385 0.725 1.00 0.00 C ATOM 738 C ASN A 52 -1.339 -1.402 0.170 1.00 0.00 C ATOM 739 O ASN A 52 -1.678 -0.657 -0.746 1.00 0.00 O ATOM 740 CB ASN A 52 -2.116 -3.792 0.167 1.00 0.00 C ATOM 741 CG ASN A 52 -1.350 -4.613 1.179 1.00 0.00 C ATOM 742 OD1 ASN A 52 -0.187 -4.323 1.454 1.00 0.00 O ATOM 743 ND2 ASN A 52 -2.002 -5.595 1.777 1.00 0.00 N ATOM 0 H ASN A 52 -3.847 -2.104 -0.697 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.298 -2.420 1.812 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.064 -4.277 -0.066 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.553 -3.728 -0.764 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.541 -6.148 2.499 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.967 -5.800 1.516 1.00 0.00 H new ATOM 750 N ALA A 53 -0.095 -1.404 0.653 1.00 0.00 N ATOM 751 CA ALA A 53 1.047 -0.731 0.023 1.00 0.00 C ATOM 752 C ALA A 53 2.328 -1.420 0.490 1.00 0.00 C ATOM 753 O ALA A 53 2.396 -1.821 1.653 1.00 0.00 O ATOM 754 CB ALA A 53 1.121 0.766 0.360 1.00 0.00 C ATOM 0 H ALA A 53 0.155 -1.886 1.516 1.00 0.00 H new ATOM 0 HA ALA A 53 0.924 -0.804 -1.058 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.986 1.208 -0.135 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.213 1.262 0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.216 0.892 1.439 1.00 0.00 H new ATOM 760 N SER A 54 3.331 -1.529 -0.378 1.00 0.00 N ATOM 761 CA SER A 54 4.669 -1.981 -0.005 1.00 0.00 C ATOM 762 C SER A 54 5.689 -1.469 -1.009 1.00 0.00 C ATOM 763 O SER A 54 5.363 -1.282 -2.189 1.00 0.00 O ATOM 764 CB SER A 54 4.736 -3.516 0.122 1.00 0.00 C ATOM 765 OG SER A 54 3.717 -4.207 -0.593 1.00 0.00 O ATOM 0 H SER A 54 3.237 -1.304 -1.368 1.00 0.00 H new ATOM 0 HA SER A 54 4.906 -1.570 0.976 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.708 -3.856 -0.234 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.670 -3.785 1.176 1.00 0.00 H new ATOM 0 HG SER A 54 3.826 -5.173 -0.466 1.00 0.00 H new ATOM 771 N GLY A 55 6.924 -1.296 -0.539 1.00 0.00 N ATOM 772 CA GLY A 55 8.061 -0.975 -1.374 1.00 0.00 C ATOM 773 C GLY A 55 9.301 -0.720 -0.525 1.00 0.00 C ATOM 774 O GLY A 55 10.262 -1.485 -0.603 1.00 0.00 O ATOM 0 H GLY A 55 7.157 -1.378 0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.252 -1.794 -2.067 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.839 -0.094 -1.975 1.00 0.00 H new ATOM 778 N ASP A 56 9.273 0.298 0.333 1.00 0.00 N ATOM 779 CA ASP A 56 10.452 0.822 1.030 1.00 0.00 C ATOM 780 C ASP A 56 10.313 0.618 2.540 1.00 0.00 C ATOM 781 O ASP A 56 9.210 0.726 3.073 1.00 0.00 O ATOM 782 CB ASP A 56 10.579 2.325 0.735 1.00 0.00 C ATOM 783 CG ASP A 56 11.588 2.652 -0.363 1.00 0.00 C ATOM 784 OD1 ASP A 56 12.811 2.547 -0.096 1.00 0.00 O ATOM 785 OD2 ASP A 56 11.176 3.064 -1.472 1.00 0.00 O ATOM 0 H ASP A 56 8.414 0.794 0.570 1.00 0.00 H new ATOM 0 HA ASP A 56 11.338 0.291 0.681 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.602 2.713 0.446 1.00 0.00 H new ATOM 0 HB3 ASP A 56 10.870 2.842 1.649 1.00 0.00 H new ATOM 790 N SER A 57 11.438 0.425 3.238 1.00 0.00 N ATOM 791 CA SER A 57 11.544 0.206 4.685 1.00 0.00 C ATOM 792 C SER A 57 10.998 1.345 5.553 1.00 0.00 C ATOM 793 O SER A 57 10.947 1.201 6.775 1.00 0.00 O ATOM 794 CB SER A 57 13.031 0.072 5.047 1.00 0.00 C ATOM 795 OG SER A 57 13.666 -1.001 4.381 1.00 0.00 O ATOM 0 H SER A 57 12.351 0.417 2.782 1.00 0.00 H new ATOM 0 HA SER A 57 10.948 -0.684 4.888 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.545 1.001 4.800 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.126 -0.068 6.124 1.00 0.00 H new ATOM 0 HG SER A 57 14.609 -1.039 4.646 1.00 0.00 H new ATOM 801 N TRP A 58 10.688 2.494 4.960 1.00 0.00 N ATOM 802 CA TRP A 58 10.480 3.765 5.639 1.00 0.00 C ATOM 803 C TRP A 58 9.180 4.424 5.184 1.00 0.00 C ATOM 804 O TRP A 58 9.013 5.618 5.417 1.00 0.00 O ATOM 805 CB TRP A 58 11.712 4.661 5.394 1.00 0.00 C ATOM 806 CG TRP A 58 12.155 4.831 3.967 1.00 0.00 C ATOM 807 CD1 TRP A 58 12.903 3.944 3.275 1.00 0.00 C ATOM 808 CD2 TRP A 58 11.908 5.937 3.043 1.00 0.00 C ATOM 809 NE1 TRP A 58 13.138 4.419 2.003 1.00 0.00 N ATOM 810 CE2 TRP A 58 12.606 5.674 1.827 1.00 0.00 C ATOM 811 CE3 TRP A 58 11.160 7.130 3.092 1.00 0.00 C ATOM 812 CZ2 TRP A 58 12.629 6.579 0.756 1.00 0.00 C ATOM 813 CZ3 TRP A 58 11.129 8.024 2.005 1.00 0.00 C ATOM 814 CH2 TRP A 58 11.898 7.774 0.854 1.00 0.00 C ATOM 0 H TRP A 58 10.570 2.566 3.949 1.00 0.00 H new ATOM 0 HA TRP A 58 10.376 3.603 6.712 1.00 0.00 H new ATOM 0 HB2 TRP A 58 11.500 5.649 5.804 1.00 0.00 H new ATOM 0 HB3 TRP A 58 12.547 4.252 5.962 1.00 0.00 H new ATOM 0 HD1 TRP A 58 13.263 3.002 3.661 1.00 0.00 H new ATOM 0 HE1 TRP A 58 13.643 3.904 1.282 1.00 0.00 H new ATOM 0 HE3 TRP A 58 10.598 7.364 3.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.202 6.360 -0.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 10.511 8.908 2.055 1.00 0.00 H new ATOM 0 HH2 TRP A 58 11.926 8.496 0.051 1.00 0.00 H new ATOM 825 N ILE A 59 8.283 3.695 4.505 1.00 0.00 N ATOM 826 CA ILE A 59 7.092 4.265 3.887 1.00 0.00 C ATOM 827 C ILE A 59 5.863 3.476 4.366 1.00 0.00 C ATOM 828 O ILE A 59 5.426 2.533 3.699 1.00 0.00 O ATOM 829 CB ILE A 59 7.264 4.361 2.348 1.00 0.00 C ATOM 830 CG1 ILE A 59 8.522 5.188 1.988 1.00 0.00 C ATOM 831 CG2 ILE A 59 6.029 5.023 1.716 1.00 0.00 C ATOM 832 CD1 ILE A 59 8.708 5.501 0.499 1.00 0.00 C ATOM 0 H ILE A 59 8.370 2.687 4.372 1.00 0.00 H new ATOM 0 HA ILE A 59 6.935 5.297 4.201 1.00 0.00 H new ATOM 0 HB ILE A 59 7.378 3.350 1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.485 6.129 2.536 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.402 4.649 2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.162 5.085 0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.143 4.428 1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.905 6.026 2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.619 6.084 0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.784 4.569 -0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.853 6.073 0.138 1.00 0.00 H new ATOM 844 N HIS A 60 5.301 3.867 5.514 1.00 0.00 N ATOM 845 CA HIS A 60 4.253 3.134 6.233 1.00 0.00 C ATOM 846 C HIS A 60 2.880 3.790 6.048 1.00 0.00 C ATOM 847 O HIS A 60 2.771 5.020 6.039 1.00 0.00 O ATOM 848 CB HIS A 60 4.597 3.049 7.722 1.00 0.00 C ATOM 849 CG HIS A 60 6.038 2.694 7.970 1.00 0.00 C ATOM 850 ND1 HIS A 60 6.666 1.493 7.712 1.00 0.00 N ATOM 851 CD2 HIS A 60 6.987 3.578 8.396 1.00 0.00 C ATOM 852 CE1 HIS A 60 7.966 1.648 8.022 1.00 0.00 C ATOM 853 NE2 HIS A 60 8.202 2.894 8.472 1.00 0.00 N ATOM 0 H HIS A 60 5.572 4.731 5.984 1.00 0.00 H new ATOM 0 HA HIS A 60 4.203 2.128 5.815 1.00 0.00 H new ATOM 0 HB2 HIS A 60 4.377 4.006 8.196 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.958 2.304 8.196 1.00 0.00 H new ATOM 0 HD2 HIS A 60 6.827 4.620 8.632 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.717 0.878 7.923 1.00 0.00 H new ATOM 0 HE2 HIS A 60 9.092 3.265 8.803 1.00 0.00 H new ATOM 861 N VAL A 61 1.819 2.990 5.914 1.00 0.00 N ATOM 862 CA VAL A 61 0.497 3.454 5.502 1.00 0.00 C ATOM 863 C VAL A 61 -0.560 2.907 6.463 1.00 0.00 C ATOM 864 O VAL A 61 -0.990 1.758 6.356 1.00 0.00 O ATOM 865 CB VAL A 61 0.270 3.108 4.012 1.00 0.00 C ATOM 866 CG1 VAL A 61 0.475 1.625 3.656 1.00 0.00 C ATOM 867 CG2 VAL A 61 -1.088 3.617 3.511 1.00 0.00 C ATOM 0 H VAL A 61 1.858 1.986 6.092 1.00 0.00 H new ATOM 0 HA VAL A 61 0.416 4.539 5.566 1.00 0.00 H new ATOM 0 HB VAL A 61 1.060 3.641 3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.294 1.478 2.591 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.497 1.332 3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.221 1.013 4.230 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.210 3.354 2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.886 3.158 4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.134 4.700 3.622 1.00 0.00 H new ATOM 877 N ASN A 62 -1.025 3.719 7.409 1.00 0.00 N ATOM 878 CA ASN A 62 -1.997 3.299 8.404 1.00 0.00 C ATOM 879 C ASN A 62 -3.393 3.787 8.008 1.00 0.00 C ATOM 880 O ASN A 62 -4.122 4.370 8.808 1.00 0.00 O ATOM 881 CB ASN A 62 -1.490 3.703 9.798 1.00 0.00 C ATOM 882 CG ASN A 62 -0.583 2.601 10.338 1.00 0.00 C ATOM 883 OD1 ASN A 62 -1.013 1.464 10.514 1.00 0.00 O ATOM 884 ND2 ASN A 62 0.701 2.847 10.531 1.00 0.00 N ATOM 0 H ASN A 62 -0.734 4.692 7.504 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.105 2.215 8.450 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.944 4.645 9.741 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.331 3.862 10.473 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.326 2.096 10.824 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.067 3.788 10.387 1.00 0.00 H new ATOM 891 N GLY A 63 -3.806 3.493 6.771 1.00 0.00 N ATOM 892 CA GLY A 63 -5.101 3.872 6.209 1.00 0.00 C ATOM 893 C GLY A 63 -5.211 5.388 6.151 1.00 0.00 C ATOM 894 O GLY A 63 -4.431 6.017 5.434 1.00 0.00 O ATOM 0 H GLY A 63 -3.228 2.968 6.115 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.212 3.451 5.210 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.907 3.462 6.818 1.00 0.00 H new ATOM 898 N SER A 64 -6.115 5.995 6.925 1.00 0.00 N ATOM 899 CA SER A 64 -6.172 7.443 7.093 1.00 0.00 C ATOM 900 C SER A 64 -5.085 7.922 8.070 1.00 0.00 C ATOM 901 O SER A 64 -5.388 8.588 9.063 1.00 0.00 O ATOM 902 CB SER A 64 -7.591 7.864 7.502 1.00 0.00 C ATOM 903 OG SER A 64 -8.046 7.177 8.656 1.00 0.00 O ATOM 0 H SER A 64 -6.828 5.491 7.453 1.00 0.00 H new ATOM 0 HA SER A 64 -5.957 7.934 6.144 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.609 8.937 7.691 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.276 7.674 6.676 1.00 0.00 H new ATOM 0 HG SER A 64 -8.951 7.478 8.880 1.00 0.00 H new ATOM 909 N SER A 65 -3.827 7.556 7.823 1.00 0.00 N ATOM 910 CA SER A 65 -2.614 8.081 8.431 1.00 0.00 C ATOM 911 C SER A 65 -1.438 7.625 7.565 1.00 0.00 C ATOM 912 O SER A 65 -1.486 6.558 6.944 1.00 0.00 O ATOM 913 CB SER A 65 -2.445 7.555 9.859 1.00 0.00 C ATOM 914 OG SER A 65 -3.334 8.203 10.749 1.00 0.00 O ATOM 0 H SER A 65 -3.619 6.828 7.139 1.00 0.00 H new ATOM 0 HA SER A 65 -2.663 9.168 8.487 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.626 6.480 9.878 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.418 7.711 10.188 1.00 0.00 H new ATOM 0 HG SER A 65 -4.171 8.409 10.283 1.00 0.00 H new ATOM 920 N VAL A 66 -0.373 8.416 7.538 1.00 0.00 N ATOM 921 CA VAL A 66 0.804 8.212 6.713 1.00 0.00 C ATOM 922 C VAL A 66 2.008 8.633 7.562 1.00 0.00 C ATOM 923 O VAL A 66 1.919 9.600 8.323 1.00 0.00 O ATOM 924 CB VAL A 66 0.607 9.020 5.408 1.00 0.00 C ATOM 925 CG1 VAL A 66 0.523 10.532 5.625 1.00 0.00 C ATOM 926 CG2 VAL A 66 1.683 8.721 4.371 1.00 0.00 C ATOM 0 H VAL A 66 -0.306 9.253 8.117 1.00 0.00 H new ATOM 0 HA VAL A 66 0.972 7.180 6.406 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.359 8.685 5.030 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.385 11.030 4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.320 10.760 6.277 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.445 10.885 6.088 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.499 9.313 3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.662 8.974 4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.659 7.661 4.117 1.00 0.00 H new ATOM 936 N SER A 67 3.125 7.912 7.483 1.00 0.00 N ATOM 937 CA SER A 67 4.302 8.274 8.254 1.00 0.00 C ATOM 938 C SER A 67 5.500 7.704 7.539 1.00 0.00 C ATOM 939 O SER A 67 5.730 6.493 7.565 1.00 0.00 O ATOM 940 CB SER A 67 4.184 7.778 9.690 1.00 0.00 C ATOM 941 OG SER A 67 5.292 8.158 10.481 1.00 0.00 O ATOM 0 H SER A 67 3.235 7.083 6.898 1.00 0.00 H new ATOM 0 HA SER A 67 4.407 9.357 8.325 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.270 8.173 10.135 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.095 6.692 9.691 1.00 0.00 H new ATOM 0 HG SER A 67 5.028 8.881 11.087 1.00 0.00 H new ATOM 947 N TYR A 68 6.207 8.585 6.845 1.00 0.00 N ATOM 948 CA TYR A 68 7.403 8.246 6.093 1.00 0.00 C ATOM 949 C TYR A 68 8.576 8.952 6.764 1.00 0.00 C ATOM 950 O TYR A 68 8.422 10.108 7.165 1.00 0.00 O ATOM 951 CB TYR A 68 7.253 8.598 4.600 1.00 0.00 C ATOM 952 CG TYR A 68 5.970 8.163 3.895 1.00 0.00 C ATOM 953 CD1 TYR A 68 5.226 7.051 4.328 1.00 0.00 C ATOM 954 CD2 TYR A 68 5.528 8.862 2.758 1.00 0.00 C ATOM 955 CE1 TYR A 68 4.094 6.619 3.628 1.00 0.00 C ATOM 956 CE2 TYR A 68 4.369 8.458 2.067 1.00 0.00 C ATOM 957 CZ TYR A 68 3.658 7.310 2.488 1.00 0.00 C ATOM 958 OH TYR A 68 2.547 6.840 1.851 1.00 0.00 O ATOM 0 H TYR A 68 5.959 9.573 6.789 1.00 0.00 H new ATOM 0 HA TYR A 68 7.579 7.170 6.106 1.00 0.00 H new ATOM 0 HB2 TYR A 68 7.341 9.680 4.500 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.095 8.159 4.065 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.534 6.521 5.217 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.084 9.720 2.410 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.553 5.748 3.968 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.023 9.025 1.215 1.00 0.00 H new ATOM 0 HH TYR A 68 1.917 7.577 1.705 1.00 0.00 H new ATOM 968 N ASP A 69 9.703 8.255 6.926 1.00 0.00 N ATOM 969 CA ASP A 69 10.880 8.717 7.677 1.00 0.00 C ATOM 970 C ASP A 69 12.007 9.170 6.737 1.00 0.00 C ATOM 971 O ASP A 69 11.946 8.969 5.523 1.00 0.00 O ATOM 972 CB ASP A 69 11.397 7.597 8.611 1.00 0.00 C ATOM 973 CG ASP A 69 10.762 7.593 10.001 1.00 0.00 C ATOM 974 OD1 ASP A 69 10.621 8.667 10.636 1.00 0.00 O ATOM 975 OD2 ASP A 69 10.428 6.488 10.496 1.00 0.00 O ATOM 0 H ASP A 69 9.829 7.325 6.527 1.00 0.00 H new ATOM 0 HA ASP A 69 10.571 9.574 8.276 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.214 6.632 8.138 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.477 7.699 8.718 1.00 0.00 H new ATOM 980 N GLU A 70 13.062 9.763 7.305 1.00 0.00 N ATOM 981 CA GLU A 70 14.349 9.935 6.636 1.00 0.00 C ATOM 982 C GLU A 70 15.116 8.607 6.563 1.00 0.00 C ATOM 983 O GLU A 70 14.951 7.711 7.398 1.00 0.00 O ATOM 984 CB GLU A 70 15.208 10.981 7.368 1.00 0.00 C ATOM 985 CG GLU A 70 15.274 12.319 6.619 1.00 0.00 C ATOM 986 CD GLU A 70 16.329 13.239 7.225 1.00 0.00 C ATOM 987 OE1 GLU A 70 16.202 13.541 8.431 1.00 0.00 O ATOM 988 OE2 GLU A 70 17.286 13.632 6.522 1.00 0.00 O ATOM 0 H GLU A 70 13.043 10.140 8.253 1.00 0.00 H new ATOM 0 HA GLU A 70 14.147 10.281 5.622 1.00 0.00 H new ATOM 0 HB2 GLU A 70 14.801 11.147 8.365 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.218 10.591 7.497 1.00 0.00 H new ATOM 0 HG2 GLU A 70 15.504 12.140 5.569 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.300 12.806 6.653 1.00 0.00 H new ATOM 995 N ASN A 71 16.029 8.526 5.593 1.00 0.00 N ATOM 996 CA ASN A 71 17.086 7.522 5.482 1.00 0.00 C ATOM 997 C ASN A 71 18.135 7.700 6.603 1.00 0.00 C ATOM 998 O ASN A 71 18.125 8.709 7.312 1.00 0.00 O ATOM 999 CB ASN A 71 17.710 7.607 4.070 1.00 0.00 C ATOM 1000 CG ASN A 71 18.490 8.891 3.791 1.00 0.00 C ATOM 1001 OD1 ASN A 71 18.901 9.597 4.696 1.00 0.00 O ATOM 1002 ND2 ASN A 71 18.724 9.200 2.525 1.00 0.00 N ATOM 0 H ASN A 71 16.051 9.195 4.824 1.00 0.00 H new ATOM 0 HA ASN A 71 16.667 6.524 5.613 1.00 0.00 H new ATOM 0 HB2 ASN A 71 18.377 6.756 3.931 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.915 7.513 3.330 1.00 0.00 H new ATOM 0 HD21 ASN A 71 19.255 10.040 2.295 1.00 0.00 H new ATOM 0 HD22 ASN A 71 18.373 8.598 1.780 1.00 0.00 H new ATOM 1009 N PRO A 72 19.009 6.705 6.838 1.00 0.00 N ATOM 1010 CA PRO A 72 19.981 6.742 7.932 1.00 0.00 C ATOM 1011 C PRO A 72 21.311 7.413 7.562 1.00 0.00 C ATOM 1012 O PRO A 72 22.125 7.664 8.449 1.00 0.00 O ATOM 1013 CB PRO A 72 20.199 5.270 8.292 1.00 0.00 C ATOM 1014 CG PRO A 72 20.043 4.568 6.947 1.00 0.00 C ATOM 1015 CD PRO A 72 18.944 5.367 6.268 1.00 0.00 C ATOM 0 HA PRO A 72 19.603 7.345 8.758 1.00 0.00 H new ATOM 0 HB2 PRO A 72 21.185 5.101 8.725 1.00 0.00 H new ATOM 0 HB3 PRO A 72 19.467 4.919 9.019 1.00 0.00 H new ATOM 0 HG2 PRO A 72 20.969 4.587 6.372 1.00 0.00 H new ATOM 0 HG3 PRO A 72 19.764 3.521 7.068 1.00 0.00 H new ATOM 0 HD2 PRO A 72 19.092 5.395 5.189 1.00 0.00 H new ATOM 0 HD3 PRO A 72 17.968 4.915 6.444 1.00 0.00 H new ATOM 1023 N ALA A 73 21.569 7.682 6.280 1.00 0.00 N ATOM 1024 CA ALA A 73 22.839 8.216 5.792 1.00 0.00 C ATOM 1025 C ALA A 73 22.581 9.387 4.861 1.00 0.00 C ATOM 1026 O ALA A 73 21.541 9.450 4.221 1.00 0.00 O ATOM 1027 CB ALA A 73 23.594 7.117 5.034 1.00 0.00 C ATOM 0 H ALA A 73 20.885 7.531 5.538 1.00 0.00 H new ATOM 0 HA ALA A 73 23.437 8.556 6.638 1.00 0.00 H new ATOM 0 HB1 ALA A 73 24.542 7.512 4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 73 23.785 6.278 5.704 1.00 0.00 H new ATOM 0 HB3 ALA A 73 22.993 6.778 4.190 1.00 0.00 H new ATOM 1033 N LYS A 74 23.576 10.246 4.648 1.00 0.00 N ATOM 1034 CA LYS A 74 23.425 11.527 3.962 1.00 0.00 C ATOM 1035 C LYS A 74 23.110 11.405 2.477 1.00 0.00 C ATOM 1036 O LYS A 74 23.092 12.406 1.764 1.00 0.00 O ATOM 1037 CB LYS A 74 24.643 12.431 4.204 1.00 0.00 C ATOM 1038 CG LYS A 74 26.010 11.753 4.041 1.00 0.00 C ATOM 1039 CD LYS A 74 26.341 11.369 2.593 1.00 0.00 C ATOM 1040 CE LYS A 74 27.742 10.766 2.445 1.00 0.00 C ATOM 1041 NZ LYS A 74 27.686 9.307 2.210 1.00 0.00 N ATOM 0 H LYS A 74 24.532 10.066 4.955 1.00 0.00 H new ATOM 0 HA LYS A 74 22.547 11.996 4.405 1.00 0.00 H new ATOM 0 HB2 LYS A 74 24.591 13.274 3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 74 24.577 12.839 5.213 1.00 0.00 H new ATOM 0 HG2 LYS A 74 26.784 12.422 4.416 1.00 0.00 H new ATOM 0 HG3 LYS A 74 26.037 10.856 4.660 1.00 0.00 H new ATOM 0 HD2 LYS A 74 25.602 10.653 2.234 1.00 0.00 H new ATOM 0 HD3 LYS A 74 26.262 12.253 1.960 1.00 0.00 H new ATOM 0 HE2 LYS A 74 28.261 11.249 1.617 1.00 0.00 H new ATOM 0 HE3 LYS A 74 28.322 10.968 3.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 28.652 8.933 2.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 27.213 8.844 3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 27.153 9.116 1.337 1.00 0.00 H new ATOM 1055 N GLU A 75 22.997 10.180 1.981 1.00 0.00 N ATOM 1056 CA GLU A 75 22.807 9.903 0.583 1.00 0.00 C ATOM 1057 C GLU A 75 21.449 10.453 0.129 1.00 0.00 C ATOM 1058 O GLU A 75 20.566 10.713 0.947 1.00 0.00 O ATOM 1059 CB GLU A 75 22.958 8.400 0.329 1.00 0.00 C ATOM 1060 CG GLU A 75 21.759 7.636 0.887 1.00 0.00 C ATOM 1061 CD GLU A 75 21.928 6.127 0.791 1.00 0.00 C ATOM 1062 OE1 GLU A 75 22.557 5.517 1.683 1.00 0.00 O ATOM 1063 OE2 GLU A 75 21.319 5.517 -0.115 1.00 0.00 O ATOM 0 H GLU A 75 23.037 9.341 2.560 1.00 0.00 H new ATOM 0 HA GLU A 75 23.570 10.404 -0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 75 23.048 8.214 -0.741 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.875 8.038 0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 75 21.609 7.915 1.930 1.00 0.00 H new ATOM 0 HG3 GLU A 75 20.861 7.932 0.345 1.00 0.00 H new ATOM 1070 N ARG A 76 21.237 10.558 -1.179 1.00 0.00 N ATOM 1071 CA ARG A 76 19.910 10.834 -1.719 1.00 0.00 C ATOM 1072 C ARG A 76 19.233 9.498 -2.013 1.00 0.00 C ATOM 1073 O ARG A 76 19.911 8.544 -2.411 1.00 0.00 O ATOM 1074 CB ARG A 76 20.018 11.729 -2.966 1.00 0.00 C ATOM 1075 CG ARG A 76 18.792 12.650 -3.041 1.00 0.00 C ATOM 1076 CD ARG A 76 18.694 13.441 -4.351 1.00 0.00 C ATOM 1077 NE ARG A 76 19.745 14.470 -4.462 1.00 0.00 N ATOM 1078 CZ ARG A 76 19.642 15.759 -4.109 1.00 0.00 C ATOM 1079 NH1 ARG A 76 18.525 16.268 -3.606 1.00 0.00 N ATOM 1080 NH2 ARG A 76 20.684 16.561 -4.279 1.00 0.00 N ATOM 0 H ARG A 76 21.967 10.456 -1.884 1.00 0.00 H new ATOM 0 HA ARG A 76 19.301 11.382 -1.000 1.00 0.00 H new ATOM 0 HB2 ARG A 76 20.931 12.323 -2.923 1.00 0.00 H new ATOM 0 HB3 ARG A 76 20.080 11.114 -3.864 1.00 0.00 H new ATOM 0 HG2 ARG A 76 17.890 12.050 -2.921 1.00 0.00 H new ATOM 0 HG3 ARG A 76 18.823 13.350 -2.206 1.00 0.00 H new ATOM 0 HD2 ARG A 76 18.770 12.754 -5.194 1.00 0.00 H new ATOM 0 HD3 ARG A 76 17.715 13.916 -4.414 1.00 0.00 H new ATOM 0 HE ARG A 76 20.641 14.170 -4.846 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.707 15.673 -3.476 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.485 17.254 -3.349 1.00 0.00 H new ATOM 0 HH21 ARG A 76 21.550 16.195 -4.674 1.00 0.00 H new ATOM 0 HH22 ARG A 76 20.619 17.544 -4.015 1.00 0.00 H new ATOM 1094 N ARG A 77 17.912 9.421 -1.850 1.00 0.00 N ATOM 1095 CA ARG A 77 17.090 8.307 -2.322 1.00 0.00 C ATOM 1096 C ARG A 77 15.838 8.901 -2.942 1.00 0.00 C ATOM 1097 O ARG A 77 15.429 10.008 -2.578 1.00 0.00 O ATOM 1098 CB ARG A 77 16.725 7.336 -1.175 1.00 0.00 C ATOM 1099 CG ARG A 77 17.954 6.662 -0.546 1.00 0.00 C ATOM 1100 CD ARG A 77 17.607 5.590 0.501 1.00 0.00 C ATOM 1101 NE ARG A 77 18.853 5.026 1.047 1.00 0.00 N ATOM 1102 CZ ARG A 77 19.052 4.273 2.132 1.00 0.00 C ATOM 1103 NH1 ARG A 77 18.031 3.809 2.845 1.00 0.00 N ATOM 1104 NH2 ARG A 77 20.300 4.007 2.503 1.00 0.00 N ATOM 0 H ARG A 77 17.373 10.146 -1.377 1.00 0.00 H new ATOM 0 HA ARG A 77 17.646 7.721 -3.054 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.182 7.882 -0.403 1.00 0.00 H new ATOM 0 HB3 ARG A 77 16.052 6.568 -1.556 1.00 0.00 H new ATOM 0 HG2 ARG A 77 18.550 6.205 -1.336 1.00 0.00 H new ATOM 0 HG3 ARG A 77 18.576 7.425 -0.078 1.00 0.00 H new ATOM 0 HD2 ARG A 77 17.010 6.026 1.302 1.00 0.00 H new ATOM 0 HD3 ARG A 77 17.005 4.802 0.047 1.00 0.00 H new ATOM 0 HE ARG A 77 19.695 5.244 0.514 1.00 0.00 H new ATOM 0 HH11 ARG A 77 17.074 4.026 2.567 1.00 0.00 H new ATOM 0 HH12 ARG A 77 18.204 3.235 3.670 1.00 0.00 H new ATOM 0 HH21 ARG A 77 21.082 4.376 1.962 1.00 0.00 H new ATOM 0 HH22 ARG A 77 20.476 3.434 3.328 1.00 0.00 H new ATOM 1118 N THR A 78 15.222 8.168 -3.859 1.00 0.00 N ATOM 1119 CA THR A 78 13.864 8.404 -4.297 1.00 0.00 C ATOM 1120 C THR A 78 13.081 7.188 -3.819 1.00 0.00 C ATOM 1121 O THR A 78 13.265 6.094 -4.365 1.00 0.00 O ATOM 1122 CB THR A 78 13.789 8.613 -5.818 1.00 0.00 C ATOM 1123 OG1 THR A 78 14.644 9.663 -6.251 1.00 0.00 O ATOM 1124 CG2 THR A 78 12.339 8.934 -6.224 1.00 0.00 C ATOM 0 H THR A 78 15.667 7.377 -4.326 1.00 0.00 H new ATOM 0 HA THR A 78 13.446 9.321 -3.883 1.00 0.00 H new ATOM 0 HB THR A 78 14.120 7.691 -6.297 1.00 0.00 H new ATOM 0 HG1 THR A 78 14.570 9.765 -7.223 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.287 9.082 -7.303 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.690 8.106 -5.940 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.012 9.842 -5.717 1.00 0.00 H new ATOM 1132 N GLY A 79 12.264 7.364 -2.779 1.00 0.00 N ATOM 1133 CA GLY A 79 11.330 6.330 -2.353 1.00 0.00 C ATOM 1134 C GLY A 79 10.335 6.055 -3.472 1.00 0.00 C ATOM 1135 O GLY A 79 10.032 6.973 -4.243 1.00 0.00 O ATOM 0 H GLY A 79 12.233 8.215 -2.218 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.871 5.418 -2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.803 6.648 -1.453 1.00 0.00 H new ATOM 1139 N LEU A 80 9.829 4.822 -3.575 1.00 0.00 N ATOM 1140 CA LEU A 80 8.790 4.473 -4.538 1.00 0.00 C ATOM 1141 C LEU A 80 8.137 3.156 -4.129 1.00 0.00 C ATOM 1142 O LEU A 80 8.813 2.125 -4.083 1.00 0.00 O ATOM 1143 CB LEU A 80 9.373 4.374 -5.966 1.00 0.00 C ATOM 1144 CG LEU A 80 8.290 4.475 -7.056 1.00 0.00 C ATOM 1145 CD1 LEU A 80 7.661 5.873 -7.118 1.00 0.00 C ATOM 1146 CD2 LEU A 80 8.893 4.211 -8.439 1.00 0.00 C ATOM 0 H LEU A 80 10.131 4.041 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 80 8.035 5.259 -4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.105 5.168 -6.112 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.904 3.428 -6.073 1.00 0.00 H new ATOM 0 HG LEU A 80 7.534 3.734 -6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.903 5.897 -7.901 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.199 6.107 -6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.433 6.610 -7.338 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.113 4.287 -9.197 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.670 4.947 -8.644 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.326 3.211 -8.462 1.00 0.00 H new ATOM 1158 N VAL A 81 6.834 3.172 -3.846 1.00 0.00 N ATOM 1159 CA VAL A 81 6.069 1.996 -3.416 1.00 0.00 C ATOM 1160 C VAL A 81 4.866 1.815 -4.339 1.00 0.00 C ATOM 1161 O VAL A 81 4.508 2.749 -5.056 1.00 0.00 O ATOM 1162 CB VAL A 81 5.658 2.133 -1.930 1.00 0.00 C ATOM 1163 CG1 VAL A 81 6.830 2.601 -1.057 1.00 0.00 C ATOM 1164 CG2 VAL A 81 4.442 3.047 -1.705 1.00 0.00 C ATOM 0 H VAL A 81 6.268 4.018 -3.910 1.00 0.00 H new ATOM 0 HA VAL A 81 6.686 1.101 -3.489 1.00 0.00 H new ATOM 0 HB VAL A 81 5.363 1.129 -1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.501 2.685 -0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.643 1.878 -1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.179 3.573 -1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.214 3.094 -0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.667 4.048 -2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.582 2.648 -2.243 1.00 0.00 H new ATOM 1174 N THR A 82 4.186 0.671 -4.302 1.00 0.00 N ATOM 1175 CA THR A 82 2.908 0.504 -4.989 1.00 0.00 C ATOM 1176 C THR A 82 1.855 0.122 -3.961 1.00 0.00 C ATOM 1177 O THR A 82 2.145 -0.624 -3.026 1.00 0.00 O ATOM 1178 CB THR A 82 3.024 -0.537 -6.113 1.00 0.00 C ATOM 1179 OG1 THR A 82 4.124 -0.220 -6.947 1.00 0.00 O ATOM 1180 CG2 THR A 82 1.748 -0.579 -6.966 1.00 0.00 C ATOM 0 H THR A 82 4.502 -0.159 -3.800 1.00 0.00 H new ATOM 0 HA THR A 82 2.612 1.439 -5.465 1.00 0.00 H new ATOM 0 HB THR A 82 3.169 -1.514 -5.652 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.196 -0.887 -7.661 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.861 -1.325 -7.753 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.898 -0.841 -6.336 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.578 0.399 -7.415 1.00 0.00 H new ATOM 1188 N LEU A 83 0.631 0.614 -4.170 1.00 0.00 N ATOM 1189 CA LEU A 83 -0.572 0.279 -3.424 1.00 0.00 C ATOM 1190 C LEU A 83 -1.658 -0.209 -4.374 1.00 0.00 C ATOM 1191 O LEU A 83 -1.615 0.121 -5.558 1.00 0.00 O ATOM 1192 CB LEU A 83 -1.099 1.512 -2.672 1.00 0.00 C ATOM 1193 CG LEU A 83 -1.204 2.787 -3.507 1.00 0.00 C ATOM 1194 CD1 LEU A 83 -2.539 3.458 -3.208 1.00 0.00 C ATOM 1195 CD2 LEU A 83 0.012 3.656 -3.143 1.00 0.00 C ATOM 0 H LEU A 83 0.449 1.295 -4.907 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.320 -0.506 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.085 1.278 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.445 1.706 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.185 2.600 -4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.628 4.370 -3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.353 2.780 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.593 3.705 -2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.018 4.583 -3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.012 3.887 -2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.929 3.115 -3.376 1.00 0.00 H new ATOM 1207 N LYS A 84 -2.664 -0.920 -3.857 1.00 0.00 N ATOM 1208 CA LYS A 84 -3.853 -1.343 -4.597 1.00 0.00 C ATOM 1209 C LYS A 84 -5.025 -1.400 -3.625 1.00 0.00 C ATOM 1210 O LYS A 84 -4.850 -1.867 -2.498 1.00 0.00 O ATOM 1211 CB LYS A 84 -3.614 -2.731 -5.213 1.00 0.00 C ATOM 1212 CG LYS A 84 -4.609 -3.007 -6.346 1.00 0.00 C ATOM 1213 CD LYS A 84 -4.562 -4.471 -6.790 1.00 0.00 C ATOM 1214 CE LYS A 84 -5.637 -4.689 -7.858 1.00 0.00 C ATOM 1215 NZ LYS A 84 -5.420 -5.941 -8.608 1.00 0.00 N ATOM 0 H LYS A 84 -2.672 -1.225 -2.884 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.068 -0.639 -5.401 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.595 -2.793 -5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.712 -3.496 -4.443 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.617 -2.758 -6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.384 -2.361 -7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.577 -4.715 -7.189 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.734 -5.131 -5.939 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.619 -4.714 -7.385 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.638 -3.847 -8.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.168 -6.052 -9.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.494 -5.907 -9.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -5.444 -6.747 -7.952 1.00 0.00 H new ATOM 1229 N GLN A 85 -6.193 -0.920 -4.055 1.00 0.00 N ATOM 1230 CA GLN A 85 -7.457 -1.111 -3.347 1.00 0.00 C ATOM 1231 C GLN A 85 -7.835 -2.595 -3.423 1.00 0.00 C ATOM 1232 O GLN A 85 -7.302 -3.343 -4.231 1.00 0.00 O ATOM 1233 CB GLN A 85 -8.530 -0.201 -3.982 1.00 0.00 C ATOM 1234 CG GLN A 85 -9.953 -0.242 -3.372 1.00 0.00 C ATOM 1235 CD GLN A 85 -10.876 0.781 -4.016 1.00 0.00 C ATOM 1236 OE1 GLN A 85 -11.863 0.426 -4.642 1.00 0.00 O ATOM 1237 NE2 GLN A 85 -10.614 2.065 -3.909 1.00 0.00 N ATOM 0 H GLN A 85 -6.287 -0.381 -4.916 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.372 -0.836 -2.296 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.172 0.827 -3.932 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.609 -0.460 -5.038 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.373 -1.240 -3.498 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.894 -0.054 -2.300 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.793 2.376 -3.389 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.231 2.750 -4.346 1.00 0.00 H new ATOM 1246 N ASP A 86 -8.787 -2.986 -2.589 1.00 0.00 N ATOM 1247 CA ASP A 86 -9.465 -4.267 -2.584 1.00 0.00 C ATOM 1248 C ASP A 86 -10.105 -4.573 -3.949 1.00 0.00 C ATOM 1249 O ASP A 86 -9.473 -5.210 -4.785 1.00 0.00 O ATOM 1250 CB ASP A 86 -10.474 -4.225 -1.427 1.00 0.00 C ATOM 1251 CG ASP A 86 -11.298 -5.494 -1.238 1.00 0.00 C ATOM 1252 OD1 ASP A 86 -11.143 -6.477 -1.988 1.00 0.00 O ATOM 1253 OD2 ASP A 86 -12.147 -5.444 -0.325 1.00 0.00 O ATOM 0 H ASP A 86 -9.127 -2.372 -1.849 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.767 -5.089 -2.425 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.934 -4.020 -0.502 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.155 -3.390 -1.590 1.00 0.00 H new ATOM 1258 N GLU A 87 -11.323 -4.094 -4.225 1.00 0.00 N ATOM 1259 CA GLU A 87 -12.082 -4.571 -5.388 1.00 0.00 C ATOM 1260 C GLU A 87 -11.844 -3.734 -6.652 1.00 0.00 C ATOM 1261 O GLU A 87 -12.423 -4.006 -7.710 1.00 0.00 O ATOM 1262 CB GLU A 87 -13.579 -4.565 -5.082 1.00 0.00 C ATOM 1263 CG GLU A 87 -13.983 -5.401 -3.864 1.00 0.00 C ATOM 1264 CD GLU A 87 -15.502 -5.506 -3.775 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -16.104 -5.998 -4.761 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -16.062 -5.067 -2.744 1.00 0.00 O ATOM 0 H GLU A 87 -11.800 -3.386 -3.667 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.726 -5.583 -5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -13.900 -3.536 -4.923 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -14.117 -4.935 -5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.546 -6.397 -3.937 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.589 -4.946 -2.955 1.00 0.00 H new ATOM 1273 N SER A 88 -11.056 -2.671 -6.533 1.00 0.00 N ATOM 1274 CA SER A 88 -10.575 -1.806 -7.602 1.00 0.00 C ATOM 1275 C SER A 88 -9.051 -1.930 -7.662 1.00 0.00 C ATOM 1276 O SER A 88 -8.494 -2.973 -7.333 1.00 0.00 O ATOM 1277 CB SER A 88 -11.100 -0.387 -7.372 1.00 0.00 C ATOM 1278 OG SER A 88 -10.961 0.504 -8.465 1.00 0.00 O ATOM 0 H SER A 88 -10.712 -2.370 -5.621 1.00 0.00 H new ATOM 0 HA SER A 88 -10.950 -2.099 -8.583 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.156 -0.448 -7.109 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.581 0.038 -6.512 1.00 0.00 H new ATOM 0 HG SER A 88 -11.326 1.380 -8.221 1.00 0.00 H new ATOM 1284 N GLY A 89 -8.357 -0.913 -8.161 1.00 0.00 N ATOM 1285 CA GLY A 89 -7.011 -1.098 -8.662 1.00 0.00 C ATOM 1286 C GLY A 89 -6.459 0.204 -9.191 1.00 0.00 C ATOM 1287 O GLY A 89 -5.847 0.237 -10.252 1.00 0.00 O ATOM 0 H GLY A 89 -8.708 0.043 -8.227 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.369 -1.475 -7.866 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.011 -1.848 -9.453 1.00 0.00 H new ATOM 1291 N LYS A 90 -6.698 1.315 -8.500 1.00 0.00 N ATOM 1292 CA LYS A 90 -5.843 2.442 -8.557 1.00 0.00 C ATOM 1293 C LYS A 90 -4.535 1.966 -7.943 1.00 0.00 C ATOM 1294 O LYS A 90 -4.523 1.308 -6.896 1.00 0.00 O ATOM 1295 CB LYS A 90 -6.555 3.422 -7.646 1.00 0.00 C ATOM 1296 CG LYS A 90 -5.876 4.729 -7.380 1.00 0.00 C ATOM 1297 CD LYS A 90 -6.150 5.786 -8.448 1.00 0.00 C ATOM 1298 CE LYS A 90 -5.137 5.792 -9.581 1.00 0.00 C ATOM 1299 NZ LYS A 90 -5.810 6.143 -10.843 1.00 0.00 N ATOM 0 H LYS A 90 -7.504 1.435 -7.886 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.642 2.876 -9.537 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.534 3.632 -8.076 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.726 2.930 -6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.203 5.109 -6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.801 4.564 -7.311 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.144 5.620 -8.863 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.161 6.769 -7.978 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.343 6.508 -9.369 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.667 4.812 -9.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.116 6.147 -11.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.552 5.444 -11.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.238 7.087 -10.757 1.00 0.00 H new ATOM 1313 N THR A 91 -3.465 2.378 -8.570 1.00 0.00 N ATOM 1314 CA THR A 91 -2.142 2.440 -8.001 1.00 0.00 C ATOM 1315 C THR A 91 -1.869 3.945 -7.871 1.00 0.00 C ATOM 1316 O THR A 91 -2.344 4.715 -8.714 1.00 0.00 O ATOM 1317 CB THR A 91 -1.167 1.624 -8.882 1.00 0.00 C ATOM 1318 OG1 THR A 91 -1.124 2.036 -10.239 1.00 0.00 O ATOM 1319 CG2 THR A 91 -1.530 0.134 -8.939 1.00 0.00 C ATOM 0 H THR A 91 -3.493 2.695 -9.539 1.00 0.00 H new ATOM 0 HA THR A 91 -2.020 1.983 -7.019 1.00 0.00 H new ATOM 0 HB THR A 91 -0.207 1.799 -8.396 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.487 1.477 -10.731 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.813 -0.391 -9.571 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.503 -0.286 -7.933 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.531 0.019 -9.354 1.00 0.00 H new ATOM 1327 N LEU A 92 -1.226 4.401 -6.791 1.00 0.00 N ATOM 1328 CA LEU A 92 -0.990 5.838 -6.609 1.00 0.00 C ATOM 1329 C LEU A 92 0.509 6.023 -6.504 1.00 0.00 C ATOM 1330 O LEU A 92 1.120 5.546 -5.549 1.00 0.00 O ATOM 1331 CB LEU A 92 -1.695 6.408 -5.370 1.00 0.00 C ATOM 1332 CG LEU A 92 -3.232 6.423 -5.368 1.00 0.00 C ATOM 1333 CD1 LEU A 92 -3.772 6.767 -3.976 1.00 0.00 C ATOM 1334 CD2 LEU A 92 -3.794 7.446 -6.351 1.00 0.00 C ATOM 0 H LEU A 92 -0.865 3.809 -6.042 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.406 6.384 -7.455 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.364 5.837 -4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.349 7.432 -5.228 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.548 5.423 -5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.862 6.772 -3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.428 6.023 -3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.411 7.752 -3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.883 7.423 -6.317 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.443 8.442 -6.080 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.457 7.205 -7.359 1.00 0.00 H new ATOM 1346 N SER A 93 1.117 6.661 -7.497 1.00 0.00 N ATOM 1347 CA SER A 93 2.566 6.790 -7.517 1.00 0.00 C ATOM 1348 C SER A 93 3.000 7.651 -6.331 1.00 0.00 C ATOM 1349 O SER A 93 2.345 8.657 -6.043 1.00 0.00 O ATOM 1350 CB SER A 93 3.055 7.364 -8.846 1.00 0.00 C ATOM 1351 OG SER A 93 2.486 6.647 -9.929 1.00 0.00 O ATOM 0 H SER A 93 0.636 7.091 -8.287 1.00 0.00 H new ATOM 0 HA SER A 93 3.021 5.804 -7.424 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.785 8.418 -8.916 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.142 7.309 -8.896 1.00 0.00 H new ATOM 0 HG SER A 93 2.805 7.025 -10.775 1.00 0.00 H new ATOM 1357 N LEU A 94 4.070 7.289 -5.625 1.00 0.00 N ATOM 1358 CA LEU A 94 4.473 8.025 -4.431 1.00 0.00 C ATOM 1359 C LEU A 94 5.986 8.144 -4.378 1.00 0.00 C ATOM 1360 O LEU A 94 6.667 7.210 -3.959 1.00 0.00 O ATOM 1361 CB LEU A 94 3.861 7.400 -3.167 1.00 0.00 C ATOM 1362 CG LEU A 94 3.542 8.487 -2.123 1.00 0.00 C ATOM 1363 CD1 LEU A 94 2.815 7.832 -0.954 1.00 0.00 C ATOM 1364 CD2 LEU A 94 4.785 9.214 -1.608 1.00 0.00 C ATOM 0 H LEU A 94 4.669 6.497 -5.858 1.00 0.00 H new ATOM 0 HA LEU A 94 4.080 9.041 -4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.951 6.859 -3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.553 6.673 -2.743 1.00 0.00 H new ATOM 0 HG LEU A 94 2.922 9.240 -2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.580 8.586 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.892 7.374 -1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.453 7.066 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.490 9.966 -0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.458 8.496 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.294 9.699 -2.441 1.00 0.00 H new ATOM 1376 N LYS A 95 6.503 9.280 -4.848 1.00 0.00 N ATOM 1377 CA LYS A 95 7.915 9.614 -4.760 1.00 0.00 C ATOM 1378 C LYS A 95 8.109 10.531 -3.559 1.00 0.00 C ATOM 1379 O LYS A 95 7.390 11.515 -3.390 1.00 0.00 O ATOM 1380 CB LYS A 95 8.384 10.315 -6.045 1.00 0.00 C ATOM 1381 CG LYS A 95 8.758 9.392 -7.214 1.00 0.00 C ATOM 1382 CD LYS A 95 9.464 10.149 -8.356 1.00 0.00 C ATOM 1383 CE LYS A 95 8.581 11.267 -8.925 1.00 0.00 C ATOM 1384 NZ LYS A 95 9.266 12.111 -9.931 1.00 0.00 N ATOM 0 H LYS A 95 5.942 9.999 -5.305 1.00 0.00 H new ATOM 0 HA LYS A 95 8.506 8.706 -4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.594 10.989 -6.377 1.00 0.00 H new ATOM 0 HB3 LYS A 95 9.249 10.933 -5.804 1.00 0.00 H new ATOM 0 HG2 LYS A 95 9.409 8.597 -6.852 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.857 8.915 -7.600 1.00 0.00 H new ATOM 0 HD2 LYS A 95 10.398 10.574 -7.988 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.723 9.450 -9.151 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.695 10.823 -9.379 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.237 11.899 -8.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.612 12.844 -10.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 10.097 12.562 -9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.571 11.520 -10.730 1.00 0.00 H new ATOM 1398 N ILE A 96 9.156 10.288 -2.789 1.00 0.00 N ATOM 1399 CA ILE A 96 9.746 11.275 -1.900 1.00 0.00 C ATOM 1400 C ILE A 96 11.164 11.427 -2.433 1.00 0.00 C ATOM 1401 O ILE A 96 11.891 10.432 -2.481 1.00 0.00 O ATOM 1402 CB ILE A 96 9.706 10.815 -0.427 1.00 0.00 C ATOM 1403 CG1 ILE A 96 8.304 10.423 0.088 1.00 0.00 C ATOM 1404 CG2 ILE A 96 10.267 11.923 0.476 1.00 0.00 C ATOM 1405 CD1 ILE A 96 8.017 8.927 -0.058 1.00 0.00 C ATOM 0 H ILE A 96 9.628 9.384 -2.763 1.00 0.00 H new ATOM 0 HA ILE A 96 9.207 12.222 -1.892 1.00 0.00 H new ATOM 0 HB ILE A 96 10.315 9.912 -0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.215 10.705 1.137 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.550 10.988 -0.459 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.237 11.595 1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.297 12.137 0.192 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.665 12.825 0.363 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.018 8.710 0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.076 8.646 -1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.752 8.358 0.511 1.00 0.00 H new ATOM 1417 N VAL A 97 11.535 12.619 -2.900 1.00 0.00 N ATOM 1418 CA VAL A 97 12.859 12.922 -3.425 1.00 0.00 C ATOM 1419 C VAL A 97 13.497 13.822 -2.365 1.00 0.00 C ATOM 1420 O VAL A 97 13.462 15.051 -2.471 1.00 0.00 O ATOM 1421 CB VAL A 97 12.693 13.564 -4.819 1.00 0.00 C ATOM 1422 CG1 VAL A 97 14.018 13.983 -5.471 1.00 0.00 C ATOM 1423 CG2 VAL A 97 11.981 12.624 -5.806 1.00 0.00 C ATOM 0 H VAL A 97 10.903 13.420 -2.923 1.00 0.00 H new ATOM 0 HA VAL A 97 13.508 12.061 -3.588 1.00 0.00 H new ATOM 0 HB VAL A 97 12.094 14.454 -4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 97 13.819 14.426 -6.447 1.00 0.00 H new ATOM 0 HG12 VAL A 97 14.521 14.713 -4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.656 13.108 -5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.886 13.117 -6.774 1.00 0.00 H new ATOM 0 HG22 VAL A 97 12.562 11.709 -5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.990 12.379 -5.425 1.00 0.00 H new ATOM 1433 N GLN A 98 13.989 13.210 -1.287 1.00 0.00 N ATOM 1434 CA GLN A 98 14.470 13.923 -0.109 1.00 0.00 C ATOM 1435 C GLN A 98 16.006 13.895 -0.040 1.00 0.00 C ATOM 1436 O GLN A 98 16.625 13.020 -0.658 1.00 0.00 O ATOM 1437 CB GLN A 98 13.796 13.365 1.164 1.00 0.00 C ATOM 1438 CG GLN A 98 13.898 11.848 1.395 1.00 0.00 C ATOM 1439 CD GLN A 98 13.403 11.459 2.796 1.00 0.00 C ATOM 1440 OE1 GLN A 98 13.729 12.109 3.778 1.00 0.00 O ATOM 1441 NE2 GLN A 98 12.702 10.351 2.962 1.00 0.00 N ATOM 0 H GLN A 98 14.064 12.196 -1.209 1.00 0.00 H new ATOM 0 HA GLN A 98 14.188 14.973 -0.183 1.00 0.00 H new ATOM 0 HB2 GLN A 98 14.230 13.870 2.027 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.740 13.634 1.135 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.310 11.324 0.641 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.933 11.529 1.272 1.00 0.00 H new ATOM 0 HE21 GLN A 98 12.423 9.798 2.152 1.00 0.00 H new ATOM 0 HE22 GLN A 98 12.440 10.049 3.900 1.00 0.00 H new ATOM 1450 N PRO A 99 16.627 14.833 0.702 1.00 0.00 N ATOM 1451 CA PRO A 99 18.008 14.711 1.154 1.00 0.00 C ATOM 1452 C PRO A 99 18.135 13.544 2.143 1.00 0.00 C ATOM 1453 O PRO A 99 17.170 12.818 2.400 1.00 0.00 O ATOM 1454 CB PRO A 99 18.350 16.079 1.767 1.00 0.00 C ATOM 1455 CG PRO A 99 17.011 16.620 2.258 1.00 0.00 C ATOM 1456 CD PRO A 99 16.011 16.027 1.270 1.00 0.00 C ATOM 0 HA PRO A 99 18.710 14.478 0.353 1.00 0.00 H new ATOM 0 HB2 PRO A 99 19.063 15.981 2.586 1.00 0.00 H new ATOM 0 HB3 PRO A 99 18.801 16.743 1.030 1.00 0.00 H new ATOM 0 HG2 PRO A 99 16.801 16.306 3.281 1.00 0.00 H new ATOM 0 HG3 PRO A 99 16.989 17.710 2.248 1.00 0.00 H new ATOM 0 HD2 PRO A 99 15.076 15.777 1.771 1.00 0.00 H new ATOM 0 HD3 PRO A 99 15.770 16.746 0.487 1.00 0.00 H new ATOM 1464 N GLY A 100 19.336 13.331 2.676 1.00 0.00 N ATOM 1465 CA GLY A 100 19.582 12.303 3.665 1.00 0.00 C ATOM 1466 C GLY A 100 20.328 12.831 4.872 1.00 0.00 C ATOM 1467 O GLY A 100 20.948 13.896 4.822 1.00 0.00 O ATOM 0 H GLY A 100 20.164 13.873 2.428 1.00 0.00 H new ATOM 0 HA2 GLY A 100 18.632 11.877 3.986 1.00 0.00 H new ATOM 0 HA3 GLY A 100 20.156 11.495 3.211 1.00 0.00 H new ATOM 1471 N LYS A 101 20.321 12.039 5.936 1.00 0.00 N ATOM 1472 CA LYS A 101 20.567 12.499 7.297 1.00 0.00 C ATOM 1473 C LYS A 101 22.057 12.445 7.627 1.00 0.00 C ATOM 1474 O LYS A 101 22.720 11.450 7.325 1.00 0.00 O ATOM 1475 CB LYS A 101 19.729 11.614 8.237 1.00 0.00 C ATOM 1476 CG LYS A 101 19.667 12.129 9.684 1.00 0.00 C ATOM 1477 CD LYS A 101 18.884 11.161 10.589 1.00 0.00 C ATOM 1478 CE LYS A 101 17.360 11.237 10.403 1.00 0.00 C ATOM 1479 NZ LYS A 101 16.750 12.310 11.215 1.00 0.00 N ATOM 0 H LYS A 101 20.140 11.037 5.876 1.00 0.00 H new ATOM 0 HA LYS A 101 20.272 13.541 7.417 1.00 0.00 H new ATOM 0 HB2 LYS A 101 18.715 11.541 7.844 1.00 0.00 H new ATOM 0 HB3 LYS A 101 20.144 10.606 8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 101 20.678 12.255 10.071 1.00 0.00 H new ATOM 0 HG3 LYS A 101 19.194 13.111 9.703 1.00 0.00 H new ATOM 0 HD2 LYS A 101 19.215 10.142 10.389 1.00 0.00 H new ATOM 0 HD3 LYS A 101 19.125 11.376 11.630 1.00 0.00 H new ATOM 0 HE2 LYS A 101 17.132 11.407 9.351 1.00 0.00 H new ATOM 0 HE3 LYS A 101 16.915 10.280 10.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.977 11.915 11.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 17.470 12.723 11.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.373 13.049 10.587 1.00 0.00 H new ATOM 1493 N THR A 102 22.563 13.467 8.316 1.00 0.00 N ATOM 1494 CA THR A 102 23.839 13.445 9.021 1.00 0.00 C ATOM 1495 C THR A 102 23.689 14.384 10.213 1.00 0.00 C ATOM 1496 O THR A 102 23.837 15.597 10.067 1.00 0.00 O ATOM 1497 CB THR A 102 25.036 13.858 8.133 1.00 0.00 C ATOM 1498 OG1 THR A 102 24.662 14.652 7.016 1.00 0.00 O ATOM 1499 CG2 THR A 102 25.844 12.644 7.663 1.00 0.00 C ATOM 0 H THR A 102 22.079 14.361 8.400 1.00 0.00 H new ATOM 0 HA THR A 102 24.066 12.426 9.334 1.00 0.00 H new ATOM 0 HB THR A 102 25.665 14.476 8.774 1.00 0.00 H new ATOM 0 HG1 THR A 102 25.460 14.882 6.496 1.00 0.00 H new ATOM 0 HG21 THR A 102 26.675 12.978 7.042 1.00 0.00 H new ATOM 0 HG22 THR A 102 26.231 12.107 8.529 1.00 0.00 H new ATOM 0 HG23 THR A 102 25.201 11.982 7.083 1.00 0.00 H new ATOM 1507 N SER A 103 23.367 13.833 11.376 1.00 0.00 N ATOM 1508 CA SER A 103 23.303 14.555 12.634 1.00 0.00 C ATOM 1509 C SER A 103 24.017 13.737 13.717 1.00 0.00 C ATOM 1510 O SER A 103 24.776 12.812 13.415 1.00 0.00 O ATOM 1511 CB SER A 103 21.836 14.884 12.944 1.00 0.00 C ATOM 1512 OG SER A 103 21.082 13.713 13.197 1.00 0.00 O ATOM 0 H SER A 103 23.137 12.844 11.470 1.00 0.00 H new ATOM 0 HA SER A 103 23.825 15.511 12.585 1.00 0.00 H new ATOM 0 HB2 SER A 103 21.786 15.544 13.810 1.00 0.00 H new ATOM 0 HB3 SER A 103 21.399 15.425 12.105 1.00 0.00 H new ATOM 0 HG SER A 103 20.387 13.908 13.860 1.00 0.00 H new ATOM 1518 N ILE A 104 23.796 14.088 14.984 1.00 0.00 N ATOM 1519 CA ILE A 104 24.264 13.364 16.154 1.00 0.00 C ATOM 1520 C ILE A 104 23.062 12.704 16.867 1.00 0.00 C ATOM 1521 O ILE A 104 23.156 12.328 18.030 1.00 0.00 O ATOM 1522 CB ILE A 104 25.122 14.353 16.989 1.00 0.00 C ATOM 1523 CG1 ILE A 104 25.988 13.685 18.071 1.00 0.00 C ATOM 1524 CG2 ILE A 104 24.290 15.482 17.628 1.00 0.00 C ATOM 1525 CD1 ILE A 104 27.099 12.792 17.506 1.00 0.00 C ATOM 0 H ILE A 104 23.262 14.922 15.228 1.00 0.00 H new ATOM 0 HA ILE A 104 24.915 12.521 15.923 1.00 0.00 H new ATOM 0 HB ILE A 104 25.797 14.784 16.250 1.00 0.00 H new ATOM 0 HG12 ILE A 104 26.437 14.459 18.693 1.00 0.00 H new ATOM 0 HG13 ILE A 104 25.347 13.087 18.719 1.00 0.00 H new ATOM 0 HG21 ILE A 104 24.946 16.140 18.198 1.00 0.00 H new ATOM 0 HG22 ILE A 104 23.793 16.055 16.845 1.00 0.00 H new ATOM 0 HG23 ILE A 104 23.542 15.051 18.293 1.00 0.00 H new ATOM 0 HD11 ILE A 104 27.668 12.355 18.327 1.00 0.00 H new ATOM 0 HD12 ILE A 104 26.657 11.996 16.907 1.00 0.00 H new ATOM 0 HD13 ILE A 104 27.764 13.389 16.882 1.00 0.00 H new ATOM 1537 N ASP A 105 21.899 12.611 16.205 1.00 0.00 N ATOM 1538 CA ASP A 105 20.663 12.051 16.763 1.00 0.00 C ATOM 1539 C ASP A 105 20.839 10.576 17.020 1.00 0.00 C ATOM 1540 O ASP A 105 20.487 10.132 18.132 1.00 0.00 O ATOM 1541 CB ASP A 105 19.450 12.266 15.837 1.00 0.00 C ATOM 1542 CG ASP A 105 18.987 13.712 15.896 1.00 0.00 C ATOM 1543 OD1 ASP A 105 19.592 14.536 15.173 1.00 0.00 O ATOM 1544 OD2 ASP A 105 18.217 14.088 16.805 1.00 0.00 O ATOM 0 H ASP A 105 21.791 12.932 15.243 1.00 0.00 H new ATOM 0 HA ASP A 105 20.465 12.578 17.697 1.00 0.00 H new ATOM 0 HB2 ASP A 105 19.716 12.004 14.813 1.00 0.00 H new ATOM 0 HB3 ASP A 105 18.636 11.605 16.134 1.00 0.00 H new TER 1549 ASP A 105