USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 777 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 58 SER OG : rot -30:sc= 0.287 USER MOD Set 1.2: A 68 HIS : no HD1:sc= 0.501 K(o=0.94,f=-1.2) USER MOD Set 1.3: A 81 THR OG1 : rot 180:sc= 0.154 USER MOD Set 2.1: A 72 LYS NZ :NH3+ -155:sc= 0.937 (180deg=0) USER MOD Set 2.2: A 79 TYR OH : rot 180:sc= 0.81 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -150:sc= -0.56 (180deg=-0.571) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 160:sc= -0.0519 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -106:sc= 0.729 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 1.14 K(o=1.1,f=-0.13) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc=-0.00612 X(o=-0.0061,f=-0.26) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.21 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0495) USER MOD Single : A 39 SER OG : rot -169:sc= 1.22 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -89:sc= 1.24 USER MOD Single : A 49 ASN : amide:sc= -0.205 K(o=-0.2,f=-1) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.72 K(o=0.72,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 139:sc= -0.166 (180deg=-2.15!) USER MOD Single : A 75 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-0.079) USER MOD Single : A 83 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0024) USER MOD Single : A 84 ASN : amide:sc= -1.66! C(o=-1.7!,f=-5.6!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0.225 K(o=0.22,f=-3.5!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0.502 K(o=0.5,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.078 15.026 -1.277 1.00 0.00 N ATOM 2 CA MET A 1 -11.618 14.906 -2.649 1.00 0.00 C ATOM 3 C MET A 1 -12.559 13.710 -2.718 1.00 0.00 C ATOM 4 O MET A 1 -12.600 12.898 -1.796 1.00 0.00 O ATOM 5 CB MET A 1 -10.475 14.745 -3.658 1.00 0.00 C ATOM 6 CG MET A 1 -10.570 15.680 -4.856 1.00 0.00 C ATOM 7 SD MET A 1 -12.087 15.460 -5.806 1.00 0.00 S ATOM 8 CE MET A 1 -11.852 16.680 -7.097 1.00 0.00 C ATOM 0 H1 MET A 1 -10.881 16.025 -1.068 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.775 14.661 -0.597 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.198 14.476 -1.201 1.00 0.00 H new ATOM 0 HA MET A 1 -12.170 15.812 -2.900 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.527 14.919 -3.149 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.461 13.715 -4.014 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.512 16.712 -4.510 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.713 15.514 -5.508 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.710 16.668 -7.770 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.756 17.669 -6.650 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.947 16.446 -7.658 1.00 0.00 H new ATOM 18 N LYS A 2 -13.309 13.601 -3.803 1.00 0.00 N ATOM 19 CA LYS A 2 -14.252 12.508 -3.971 1.00 0.00 C ATOM 20 C LYS A 2 -13.526 11.237 -4.410 1.00 0.00 C ATOM 21 O LYS A 2 -12.601 11.299 -5.223 1.00 0.00 O ATOM 22 CB LYS A 2 -15.320 12.890 -5.002 1.00 0.00 C ATOM 23 CG LYS A 2 -16.430 11.858 -5.159 1.00 0.00 C ATOM 24 CD LYS A 2 -17.320 11.787 -3.926 1.00 0.00 C ATOM 25 CE LYS A 2 -18.109 13.071 -3.730 1.00 0.00 C ATOM 26 NZ LYS A 2 -19.047 12.977 -2.580 1.00 0.00 N ATOM 0 H LYS A 2 -13.282 14.258 -4.582 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.736 12.316 -3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -15.763 13.843 -4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.839 13.041 -5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -17.036 12.107 -6.030 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.991 10.878 -5.346 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -18.008 10.947 -4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.707 11.598 -3.045 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -17.419 13.900 -3.569 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -18.669 13.295 -4.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -19.565 13.873 -2.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -19.722 12.203 -2.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.511 12.789 -1.709 1.00 0.00 H new ATOM 40 N SER A 3 -13.940 10.103 -3.839 1.00 0.00 N ATOM 41 CA SER A 3 -13.417 8.782 -4.202 1.00 0.00 C ATOM 42 C SER A 3 -12.010 8.552 -3.648 1.00 0.00 C ATOM 43 O SER A 3 -11.358 7.556 -3.975 1.00 0.00 O ATOM 44 CB SER A 3 -13.441 8.585 -5.722 1.00 0.00 C ATOM 45 OG SER A 3 -14.744 8.818 -6.242 1.00 0.00 O ATOM 0 H SER A 3 -14.651 10.075 -3.108 1.00 0.00 H new ATOM 0 HA SER A 3 -14.071 8.039 -3.746 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.730 9.264 -6.192 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.123 7.572 -5.967 1.00 0.00 H new ATOM 0 HG SER A 3 -14.737 8.689 -7.213 1.00 0.00 H new ATOM 51 N SER A 4 -11.546 9.459 -2.807 1.00 0.00 N ATOM 52 CA SER A 4 -10.278 9.277 -2.123 1.00 0.00 C ATOM 53 C SER A 4 -10.507 9.184 -0.620 1.00 0.00 C ATOM 54 O SER A 4 -11.358 9.881 -0.070 1.00 0.00 O ATOM 55 CB SER A 4 -9.306 10.408 -2.472 1.00 0.00 C ATOM 56 OG SER A 4 -9.995 11.616 -2.744 1.00 0.00 O ATOM 0 H SER A 4 -12.028 10.329 -2.581 1.00 0.00 H new ATOM 0 HA SER A 4 -9.826 8.343 -2.458 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.612 10.561 -1.646 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.711 10.124 -3.340 1.00 0.00 H new ATOM 0 HG SER A 4 -9.380 12.373 -2.647 1.00 0.00 H new ATOM 62 N ILE A 5 -9.759 8.307 0.030 1.00 0.00 N ATOM 63 CA ILE A 5 -9.957 8.020 1.443 1.00 0.00 C ATOM 64 C ILE A 5 -8.649 8.243 2.199 1.00 0.00 C ATOM 65 O ILE A 5 -7.576 7.931 1.676 1.00 0.00 O ATOM 66 CB ILE A 5 -10.446 6.559 1.632 1.00 0.00 C ATOM 67 CG1 ILE A 5 -11.684 6.304 0.765 1.00 0.00 C ATOM 68 CG2 ILE A 5 -10.758 6.261 3.093 1.00 0.00 C ATOM 69 CD1 ILE A 5 -12.210 4.887 0.852 1.00 0.00 C ATOM 0 H ILE A 5 -9.002 7.777 -0.403 1.00 0.00 H new ATOM 0 HA ILE A 5 -10.718 8.692 1.841 1.00 0.00 H new ATOM 0 HB ILE A 5 -9.643 5.892 1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.473 6.994 1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -11.441 6.528 -0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.098 5.230 3.190 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -9.860 6.405 3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.540 6.935 3.443 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -13.086 4.784 0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -11.437 4.191 0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.486 4.664 1.883 1.00 0.00 H new ATOM 81 N PRO A 6 -8.707 8.813 3.419 1.00 0.00 N ATOM 82 CA PRO A 6 -7.507 9.080 4.211 1.00 0.00 C ATOM 83 C PRO A 6 -6.821 7.806 4.677 1.00 0.00 C ATOM 84 O PRO A 6 -7.458 6.761 4.830 1.00 0.00 O ATOM 85 CB PRO A 6 -8.024 9.860 5.419 1.00 0.00 C ATOM 86 CG PRO A 6 -9.473 9.530 5.513 1.00 0.00 C ATOM 87 CD PRO A 6 -9.936 9.242 4.112 1.00 0.00 C ATOM 0 HA PRO A 6 -6.761 9.618 3.626 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.496 9.572 6.328 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.873 10.932 5.289 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.633 8.667 6.160 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.033 10.360 5.944 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.698 8.463 4.094 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.372 10.125 3.645 1.00 0.00 H new ATOM 95 N ILE A 7 -5.525 7.905 4.930 1.00 0.00 N ATOM 96 CA ILE A 7 -4.760 6.764 5.403 1.00 0.00 C ATOM 97 C ILE A 7 -5.228 6.391 6.801 1.00 0.00 C ATOM 98 O ILE A 7 -5.182 5.236 7.200 1.00 0.00 O ATOM 99 CB ILE A 7 -3.236 7.042 5.402 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.465 5.778 5.786 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.884 8.187 6.341 1.00 0.00 C ATOM 102 CD1 ILE A 7 -2.698 4.623 4.840 1.00 0.00 C ATOM 0 H ILE A 7 -4.983 8.762 4.816 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.933 5.934 4.718 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.947 7.337 4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.399 6.006 5.814 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.753 5.477 6.793 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.808 8.358 6.319 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.402 9.091 6.022 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.190 7.932 7.356 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.121 3.759 5.171 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.758 4.369 4.830 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.383 4.906 3.836 1.00 0.00 H new ATOM 114 N THR A 8 -5.724 7.386 7.515 1.00 0.00 N ATOM 115 CA THR A 8 -6.267 7.207 8.838 1.00 0.00 C ATOM 116 C THR A 8 -7.376 6.145 8.865 1.00 0.00 C ATOM 117 O THR A 8 -7.536 5.429 9.853 1.00 0.00 O ATOM 118 CB THR A 8 -6.804 8.559 9.332 1.00 0.00 C ATOM 119 OG1 THR A 8 -5.715 9.452 9.586 1.00 0.00 O ATOM 120 CG2 THR A 8 -7.655 8.405 10.568 1.00 0.00 C ATOM 0 H THR A 8 -5.759 8.350 7.183 1.00 0.00 H new ATOM 0 HA THR A 8 -5.475 6.851 9.497 1.00 0.00 H new ATOM 0 HB THR A 8 -7.438 8.974 8.549 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.064 10.313 9.899 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.016 9.383 10.886 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.505 7.759 10.346 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.060 7.961 11.366 1.00 0.00 H new ATOM 128 N GLU A 9 -8.127 6.041 7.779 1.00 0.00 N ATOM 129 CA GLU A 9 -9.168 5.031 7.673 1.00 0.00 C ATOM 130 C GLU A 9 -8.624 3.777 7.005 1.00 0.00 C ATOM 131 O GLU A 9 -8.817 2.664 7.493 1.00 0.00 O ATOM 132 CB GLU A 9 -10.356 5.562 6.868 1.00 0.00 C ATOM 133 CG GLU A 9 -11.137 6.665 7.567 1.00 0.00 C ATOM 134 CD GLU A 9 -11.764 6.201 8.865 1.00 0.00 C ATOM 135 OE1 GLU A 9 -12.561 5.236 8.838 1.00 0.00 O ATOM 136 OE2 GLU A 9 -11.464 6.798 9.923 1.00 0.00 O ATOM 0 H GLU A 9 -8.035 6.642 6.960 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.503 4.786 8.681 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.994 5.938 5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.032 4.735 6.650 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.472 7.504 7.769 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.918 7.030 6.901 1.00 0.00 H new ATOM 143 N VAL A 10 -7.910 3.971 5.907 1.00 0.00 N ATOM 144 CA VAL A 10 -7.471 2.859 5.075 1.00 0.00 C ATOM 145 C VAL A 10 -6.454 1.982 5.797 1.00 0.00 C ATOM 146 O VAL A 10 -6.505 0.765 5.693 1.00 0.00 O ATOM 147 CB VAL A 10 -6.880 3.359 3.738 1.00 0.00 C ATOM 148 CG1 VAL A 10 -6.308 2.208 2.925 1.00 0.00 C ATOM 149 CG2 VAL A 10 -7.941 4.092 2.934 1.00 0.00 C ATOM 0 H VAL A 10 -7.621 4.889 5.570 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.353 2.255 4.863 1.00 0.00 H new ATOM 0 HB VAL A 10 -6.068 4.049 3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.899 2.591 1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.517 1.719 3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.097 1.488 2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.511 4.439 1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.771 3.417 2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.304 4.947 3.504 1.00 0.00 H new ATOM 159 N LEU A 11 -5.560 2.607 6.549 1.00 0.00 N ATOM 160 CA LEU A 11 -4.505 1.893 7.262 1.00 0.00 C ATOM 161 C LEU A 11 -5.070 0.807 8.204 1.00 0.00 C ATOM 162 O LEU A 11 -4.795 -0.379 8.011 1.00 0.00 O ATOM 163 CB LEU A 11 -3.626 2.905 8.015 1.00 0.00 C ATOM 164 CG LEU A 11 -2.777 2.348 9.152 1.00 0.00 C ATOM 165 CD1 LEU A 11 -1.759 1.350 8.633 1.00 0.00 C ATOM 166 CD2 LEU A 11 -2.095 3.485 9.895 1.00 0.00 C ATOM 0 H LEU A 11 -5.543 3.618 6.683 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.890 1.364 6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.962 3.384 7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.272 3.684 8.420 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.430 1.820 9.847 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.167 0.968 9.465 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.276 0.523 8.146 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.102 1.841 7.915 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.490 3.079 10.706 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.455 4.037 9.207 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.850 4.155 10.306 1.00 0.00 H new ATOM 178 N PRO A 12 -5.868 1.176 9.230 1.00 0.00 N ATOM 179 CA PRO A 12 -6.443 0.198 10.164 1.00 0.00 C ATOM 180 C PRO A 12 -7.500 -0.701 9.524 1.00 0.00 C ATOM 181 O PRO A 12 -7.847 -1.749 10.069 1.00 0.00 O ATOM 182 CB PRO A 12 -7.090 1.065 11.241 1.00 0.00 C ATOM 183 CG PRO A 12 -7.355 2.365 10.573 1.00 0.00 C ATOM 184 CD PRO A 12 -6.242 2.554 9.590 1.00 0.00 C ATOM 0 HA PRO A 12 -5.677 -0.484 10.533 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.011 0.615 11.610 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.429 1.189 12.099 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.323 2.356 10.071 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.379 3.179 11.298 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.567 3.123 8.719 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.405 3.096 10.030 1.00 0.00 H new ATOM 192 N ARG A 13 -8.039 -0.284 8.389 1.00 0.00 N ATOM 193 CA ARG A 13 -9.048 -1.070 7.704 1.00 0.00 C ATOM 194 C ARG A 13 -8.456 -1.829 6.514 1.00 0.00 C ATOM 195 O ARG A 13 -9.192 -2.364 5.683 1.00 0.00 O ATOM 196 CB ARG A 13 -10.186 -0.157 7.255 1.00 0.00 C ATOM 197 CG ARG A 13 -10.845 0.583 8.411 1.00 0.00 C ATOM 198 CD ARG A 13 -12.010 1.443 7.951 1.00 0.00 C ATOM 199 NE ARG A 13 -12.459 2.350 9.010 1.00 0.00 N ATOM 200 CZ ARG A 13 -13.256 1.995 10.022 1.00 0.00 C ATOM 201 NH1 ARG A 13 -13.749 0.760 10.098 1.00 0.00 N ATOM 202 NH2 ARG A 13 -13.559 2.883 10.960 1.00 0.00 N ATOM 0 H ARG A 13 -7.795 0.591 7.926 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.438 -1.815 8.398 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.801 0.569 6.538 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.938 -0.751 6.735 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.197 -0.138 9.149 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.105 1.211 8.907 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.713 2.022 7.076 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.837 0.803 7.644 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.142 3.319 8.972 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.519 0.074 9.379 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.356 0.500 10.875 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.184 3.830 10.906 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.167 2.619 11.735 1.00 0.00 H new ATOM 216 N ALA A 14 -7.133 -1.894 6.448 1.00 0.00 N ATOM 217 CA ALA A 14 -6.455 -2.600 5.367 1.00 0.00 C ATOM 218 C ALA A 14 -6.113 -4.029 5.773 1.00 0.00 C ATOM 219 O ALA A 14 -5.961 -4.328 6.957 1.00 0.00 O ATOM 220 CB ALA A 14 -5.190 -1.862 4.952 1.00 0.00 C ATOM 0 H ALA A 14 -6.507 -1.466 7.130 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.137 -2.636 4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.700 -2.406 4.144 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.449 -0.860 4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.514 -1.791 5.804 1.00 0.00 H new ATOM 226 N VAL A 15 -5.999 -4.901 4.781 1.00 0.00 N ATOM 227 CA VAL A 15 -5.635 -6.294 5.013 1.00 0.00 C ATOM 228 C VAL A 15 -4.356 -6.646 4.260 1.00 0.00 C ATOM 229 O VAL A 15 -3.888 -7.782 4.291 1.00 0.00 O ATOM 230 CB VAL A 15 -6.759 -7.260 4.580 1.00 0.00 C ATOM 231 CG1 VAL A 15 -7.979 -7.104 5.473 1.00 0.00 C ATOM 232 CG2 VAL A 15 -7.130 -7.031 3.120 1.00 0.00 C ATOM 0 H VAL A 15 -6.154 -4.667 3.800 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.475 -6.408 6.085 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.390 -8.280 4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.758 -7.794 5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.705 -7.324 6.505 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.350 -6.081 5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.924 -7.721 2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.476 -6.006 2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.256 -7.202 2.491 1.00 0.00 H new ATOM 242 N GLY A 16 -3.794 -5.661 3.579 1.00 0.00 N ATOM 243 CA GLY A 16 -2.583 -5.871 2.825 1.00 0.00 C ATOM 244 C GLY A 16 -1.920 -4.556 2.513 1.00 0.00 C ATOM 245 O GLY A 16 -2.584 -3.522 2.494 1.00 0.00 O ATOM 0 H GLY A 16 -4.162 -4.711 3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.900 -6.504 3.392 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.811 -6.398 1.899 1.00 0.00 H new ATOM 249 N SER A 17 -0.622 -4.571 2.292 1.00 0.00 N ATOM 250 CA SER A 17 0.108 -3.348 2.019 1.00 0.00 C ATOM 251 C SER A 17 1.363 -3.643 1.201 1.00 0.00 C ATOM 252 O SER A 17 2.137 -4.540 1.538 1.00 0.00 O ATOM 253 CB SER A 17 0.476 -2.649 3.335 1.00 0.00 C ATOM 254 OG SER A 17 -0.676 -2.402 4.127 1.00 0.00 O ATOM 0 H SER A 17 -0.050 -5.415 2.296 1.00 0.00 H new ATOM 0 HA SER A 17 -0.530 -2.684 1.436 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.178 -3.267 3.894 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.981 -1.707 3.120 1.00 0.00 H new ATOM 0 HG SER A 17 -0.892 -1.446 4.102 1.00 0.00 H new ATOM 260 N LEU A 18 1.535 -2.907 0.115 1.00 0.00 N ATOM 261 CA LEU A 18 2.710 -3.038 -0.728 1.00 0.00 C ATOM 262 C LEU A 18 3.607 -1.822 -0.583 1.00 0.00 C ATOM 263 O LEU A 18 3.197 -0.701 -0.883 1.00 0.00 O ATOM 264 CB LEU A 18 2.307 -3.201 -2.193 1.00 0.00 C ATOM 265 CG LEU A 18 2.027 -4.633 -2.636 1.00 0.00 C ATOM 266 CD1 LEU A 18 1.416 -4.657 -4.027 1.00 0.00 C ATOM 267 CD2 LEU A 18 3.305 -5.451 -2.622 1.00 0.00 C ATOM 0 H LEU A 18 0.867 -2.206 -0.205 1.00 0.00 H new ATOM 0 HA LEU A 18 3.255 -3.926 -0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.416 -2.600 -2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.101 -2.793 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 18 1.317 -5.071 -1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.225 -5.689 -4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.478 -4.101 -4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.106 -4.199 -4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.088 -6.471 -2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.030 -5.005 -3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.716 -5.466 -1.613 1.00 0.00 H new ATOM 279 N THR A 19 4.825 -2.043 -0.125 1.00 0.00 N ATOM 280 CA THR A 19 5.778 -0.961 0.038 1.00 0.00 C ATOM 281 C THR A 19 6.600 -0.783 -1.233 1.00 0.00 C ATOM 282 O THR A 19 7.396 -1.650 -1.597 1.00 0.00 O ATOM 283 CB THR A 19 6.718 -1.221 1.232 1.00 0.00 C ATOM 284 OG1 THR A 19 5.942 -1.452 2.414 1.00 0.00 O ATOM 285 CG2 THR A 19 7.651 -0.039 1.462 1.00 0.00 C ATOM 0 H THR A 19 5.178 -2.962 0.141 1.00 0.00 H new ATOM 0 HA THR A 19 5.215 -0.049 0.235 1.00 0.00 H new ATOM 0 HB THR A 19 7.322 -2.100 1.006 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.541 -1.619 3.171 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.303 -0.250 2.310 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.257 0.125 0.571 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.062 0.854 1.670 1.00 0.00 H new ATOM 293 N PHE A 20 6.380 0.330 -1.914 1.00 0.00 N ATOM 294 CA PHE A 20 7.104 0.658 -3.129 1.00 0.00 C ATOM 295 C PHE A 20 8.150 1.732 -2.857 1.00 0.00 C ATOM 296 O PHE A 20 8.063 2.487 -1.885 1.00 0.00 O ATOM 297 CB PHE A 20 6.149 1.156 -4.223 1.00 0.00 C ATOM 298 CG PHE A 20 5.362 0.086 -4.914 1.00 0.00 C ATOM 299 CD1 PHE A 20 4.348 -0.585 -4.258 1.00 0.00 C ATOM 300 CD2 PHE A 20 5.636 -0.237 -6.232 1.00 0.00 C ATOM 301 CE1 PHE A 20 3.619 -1.562 -4.906 1.00 0.00 C ATOM 302 CE2 PHE A 20 4.910 -1.213 -6.884 1.00 0.00 C ATOM 303 CZ PHE A 20 3.900 -1.875 -6.220 1.00 0.00 C ATOM 0 H PHE A 20 5.693 1.032 -1.638 1.00 0.00 H new ATOM 0 HA PHE A 20 7.596 -0.252 -3.472 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.453 1.868 -3.780 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.728 1.699 -4.970 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.124 -0.343 -3.230 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.426 0.280 -6.756 1.00 0.00 H new ATOM 0 HE1 PHE A 20 2.829 -2.081 -4.384 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.133 -1.457 -7.912 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.329 -2.638 -6.728 1.00 0.00 H new ATOM 313 N ASP A 21 9.135 1.786 -3.728 1.00 0.00 N ATOM 314 CA ASP A 21 10.179 2.789 -3.662 1.00 0.00 C ATOM 315 C ASP A 21 9.737 4.030 -4.425 1.00 0.00 C ATOM 316 O ASP A 21 8.734 3.992 -5.133 1.00 0.00 O ATOM 317 CB ASP A 21 11.466 2.213 -4.264 1.00 0.00 C ATOM 318 CG ASP A 21 12.660 3.127 -4.114 1.00 0.00 C ATOM 319 OD1 ASP A 21 13.348 3.048 -3.079 1.00 0.00 O ATOM 320 OD2 ASP A 21 12.915 3.925 -5.033 1.00 0.00 O ATOM 0 H ASP A 21 9.235 1.133 -4.505 1.00 0.00 H new ATOM 0 HA ASP A 21 10.368 3.068 -2.625 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.686 1.258 -3.786 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.304 2.010 -5.323 1.00 0.00 H new ATOM 325 N GLU A 22 10.476 5.126 -4.290 1.00 0.00 N ATOM 326 CA GLU A 22 10.143 6.344 -4.998 1.00 0.00 C ATOM 327 C GLU A 22 10.442 6.187 -6.489 1.00 0.00 C ATOM 328 O GLU A 22 9.968 6.964 -7.314 1.00 0.00 O ATOM 329 CB GLU A 22 10.894 7.537 -4.405 1.00 0.00 C ATOM 330 CG GLU A 22 12.408 7.402 -4.429 1.00 0.00 C ATOM 331 CD GLU A 22 13.091 8.592 -3.791 1.00 0.00 C ATOM 332 OE1 GLU A 22 12.879 9.726 -4.266 1.00 0.00 O ATOM 333 OE2 GLU A 22 13.835 8.402 -2.805 1.00 0.00 O ATOM 0 H GLU A 22 11.304 5.190 -3.698 1.00 0.00 H new ATOM 0 HA GLU A 22 9.076 6.535 -4.883 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.613 8.436 -4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.570 7.678 -3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.700 6.492 -3.905 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.747 7.299 -5.460 1.00 0.00 H new ATOM 340 N ASN A 23 11.224 5.162 -6.820 1.00 0.00 N ATOM 341 CA ASN A 23 11.462 4.787 -8.205 1.00 0.00 C ATOM 342 C ASN A 23 10.370 3.834 -8.683 1.00 0.00 C ATOM 343 O ASN A 23 10.462 3.252 -9.765 1.00 0.00 O ATOM 344 CB ASN A 23 12.835 4.128 -8.350 1.00 0.00 C ATOM 345 CG ASN A 23 13.977 5.098 -8.107 1.00 0.00 C ATOM 346 OD1 ASN A 23 14.468 5.740 -9.036 1.00 0.00 O ATOM 347 ND2 ASN A 23 14.406 5.210 -6.861 1.00 0.00 N ATOM 0 H ASN A 23 11.705 4.574 -6.139 1.00 0.00 H new ATOM 0 HA ASN A 23 11.441 5.687 -8.819 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.912 3.299 -7.647 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.928 3.707 -9.351 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.172 5.847 -6.641 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.971 4.659 -6.121 1.00 0.00 H new ATOM 354 N TYR A 24 9.336 3.683 -7.849 1.00 0.00 N ATOM 355 CA TYR A 24 8.160 2.872 -8.164 1.00 0.00 C ATOM 356 C TYR A 24 8.520 1.395 -8.293 1.00 0.00 C ATOM 357 O TYR A 24 7.919 0.654 -9.073 1.00 0.00 O ATOM 358 CB TYR A 24 7.479 3.398 -9.431 1.00 0.00 C ATOM 359 CG TYR A 24 7.029 4.835 -9.288 1.00 0.00 C ATOM 360 CD1 TYR A 24 5.881 5.153 -8.576 1.00 0.00 C ATOM 361 CD2 TYR A 24 7.762 5.875 -9.847 1.00 0.00 C ATOM 362 CE1 TYR A 24 5.476 6.465 -8.425 1.00 0.00 C ATOM 363 CE2 TYR A 24 7.365 7.191 -9.698 1.00 0.00 C ATOM 364 CZ TYR A 24 6.220 7.479 -8.987 1.00 0.00 C ATOM 365 OH TYR A 24 5.815 8.787 -8.831 1.00 0.00 O ATOM 0 H TYR A 24 9.293 4.124 -6.930 1.00 0.00 H new ATOM 0 HA TYR A 24 7.454 2.955 -7.338 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.169 3.318 -10.271 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.618 2.772 -9.664 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.295 4.362 -8.133 1.00 0.00 H new ATOM 0 HD2 TYR A 24 8.658 5.651 -10.408 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.579 6.695 -7.868 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.948 7.988 -10.136 1.00 0.00 H new ATOM 0 HH TYR A 24 6.447 9.382 -9.286 1.00 0.00 H new ATOM 375 N ASN A 25 9.490 0.971 -7.498 1.00 0.00 N ATOM 376 CA ASN A 25 9.900 -0.426 -7.451 1.00 0.00 C ATOM 377 C ASN A 25 9.360 -1.072 -6.185 1.00 0.00 C ATOM 378 O ASN A 25 9.291 -0.425 -5.147 1.00 0.00 O ATOM 379 CB ASN A 25 11.425 -0.534 -7.464 1.00 0.00 C ATOM 380 CG ASN A 25 12.054 0.150 -8.660 1.00 0.00 C ATOM 381 OD1 ASN A 25 11.495 0.157 -9.757 1.00 0.00 O ATOM 382 ND2 ASN A 25 13.218 0.743 -8.449 1.00 0.00 N ATOM 0 H ASN A 25 10.013 1.581 -6.870 1.00 0.00 H new ATOM 0 HA ASN A 25 9.501 -0.938 -8.326 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.823 -0.094 -6.549 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.710 -1.586 -7.462 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.688 1.231 -9.212 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.646 0.712 -7.523 1.00 0.00 H new ATOM 389 N LEU A 26 8.967 -2.334 -6.263 1.00 0.00 N ATOM 390 CA LEU A 26 8.477 -3.037 -5.090 1.00 0.00 C ATOM 391 C LEU A 26 9.613 -3.309 -4.111 1.00 0.00 C ATOM 392 O LEU A 26 10.653 -3.849 -4.488 1.00 0.00 O ATOM 393 CB LEU A 26 7.800 -4.348 -5.490 1.00 0.00 C ATOM 394 CG LEU A 26 7.306 -5.200 -4.322 1.00 0.00 C ATOM 395 CD1 LEU A 26 6.415 -4.376 -3.409 1.00 0.00 C ATOM 396 CD2 LEU A 26 6.564 -6.423 -4.830 1.00 0.00 C ATOM 0 H LEU A 26 8.978 -2.888 -7.119 1.00 0.00 H new ATOM 0 HA LEU A 26 7.740 -2.401 -4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.954 -4.120 -6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.502 -4.938 -6.079 1.00 0.00 H new ATOM 0 HG LEU A 26 8.170 -5.538 -3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.070 -4.996 -2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.979 -3.529 -3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.556 -4.011 -3.972 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.220 -7.017 -3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.707 -6.107 -5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.232 -7.024 -5.447 1.00 0.00 H new ATOM 408 N LEU A 27 9.409 -2.922 -2.861 1.00 0.00 N ATOM 409 CA LEU A 27 10.396 -3.133 -1.815 1.00 0.00 C ATOM 410 C LEU A 27 9.978 -4.283 -0.909 1.00 0.00 C ATOM 411 O LEU A 27 10.721 -5.249 -0.727 1.00 0.00 O ATOM 412 CB LEU A 27 10.565 -1.864 -0.976 1.00 0.00 C ATOM 413 CG LEU A 27 11.025 -0.626 -1.744 1.00 0.00 C ATOM 414 CD1 LEU A 27 11.025 0.589 -0.832 1.00 0.00 C ATOM 415 CD2 LEU A 27 12.409 -0.852 -2.338 1.00 0.00 C ATOM 0 H LEU A 27 8.559 -2.455 -2.545 1.00 0.00 H new ATOM 0 HA LEU A 27 11.345 -3.379 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.614 -1.639 -0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.285 -2.067 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 27 10.328 -0.444 -2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.355 1.464 -1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.017 0.759 -0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.703 0.416 0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.722 0.039 -2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.120 -1.056 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.378 -1.701 -3.021 1.00 0.00 H new ATOM 427 N ASP A 28 8.779 -4.180 -0.352 1.00 0.00 N ATOM 428 CA ASP A 28 8.287 -5.163 0.605 1.00 0.00 C ATOM 429 C ASP A 28 6.808 -5.449 0.371 1.00 0.00 C ATOM 430 O ASP A 28 6.062 -4.571 -0.062 1.00 0.00 O ATOM 431 CB ASP A 28 8.509 -4.652 2.031 1.00 0.00 C ATOM 432 CG ASP A 28 7.959 -5.586 3.089 1.00 0.00 C ATOM 433 OD1 ASP A 28 8.631 -6.590 3.411 1.00 0.00 O ATOM 434 OD2 ASP A 28 6.864 -5.310 3.619 1.00 0.00 O ATOM 0 H ASP A 28 8.126 -3.421 -0.548 1.00 0.00 H new ATOM 0 HA ASP A 28 8.839 -6.093 0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.577 -4.512 2.198 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.039 -3.675 2.138 1.00 0.00 H new ATOM 439 N THR A 29 6.393 -6.676 0.655 1.00 0.00 N ATOM 440 CA THR A 29 5.012 -7.090 0.462 1.00 0.00 C ATOM 441 C THR A 29 4.413 -7.586 1.782 1.00 0.00 C ATOM 442 O THR A 29 5.009 -8.415 2.470 1.00 0.00 O ATOM 443 CB THR A 29 4.930 -8.205 -0.596 1.00 0.00 C ATOM 444 OG1 THR A 29 5.649 -7.811 -1.773 1.00 0.00 O ATOM 445 CG2 THR A 29 3.487 -8.508 -0.961 1.00 0.00 C ATOM 0 H THR A 29 7.001 -7.408 1.023 1.00 0.00 H new ATOM 0 HA THR A 29 4.442 -6.228 0.116 1.00 0.00 H new ATOM 0 HB THR A 29 5.376 -9.106 -0.175 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.596 -8.524 -2.443 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.460 -9.299 -1.710 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.947 -8.832 -0.071 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.017 -7.611 -1.364 1.00 0.00 H new ATOM 453 N SER A 30 3.241 -7.071 2.143 1.00 0.00 N ATOM 454 CA SER A 30 2.612 -7.428 3.408 1.00 0.00 C ATOM 455 C SER A 30 1.129 -7.747 3.230 1.00 0.00 C ATOM 456 O SER A 30 0.459 -7.186 2.358 1.00 0.00 O ATOM 457 CB SER A 30 2.774 -6.281 4.406 1.00 0.00 C ATOM 458 OG SER A 30 4.129 -5.885 4.503 1.00 0.00 O ATOM 0 H SER A 30 2.710 -6.407 1.579 1.00 0.00 H new ATOM 0 HA SER A 30 3.105 -8.323 3.786 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.164 -5.433 4.094 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.410 -6.592 5.386 1.00 0.00 H new ATOM 0 HG SER A 30 4.210 -5.149 5.145 1.00 0.00 H new ATOM 464 N GLY A 31 0.629 -8.651 4.064 1.00 0.00 N ATOM 465 CA GLY A 31 -0.785 -8.979 4.071 1.00 0.00 C ATOM 466 C GLY A 31 -1.237 -9.718 2.827 1.00 0.00 C ATOM 467 O GLY A 31 -0.475 -10.480 2.231 1.00 0.00 O ATOM 0 H GLY A 31 1.186 -9.169 4.744 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.005 -9.589 4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.363 -8.060 4.169 1.00 0.00 H new ATOM 471 N VAL A 32 -2.479 -9.473 2.430 1.00 0.00 N ATOM 472 CA VAL A 32 -3.076 -10.130 1.268 1.00 0.00 C ATOM 473 C VAL A 32 -2.366 -9.729 -0.024 1.00 0.00 C ATOM 474 O VAL A 32 -2.492 -10.397 -1.049 1.00 0.00 O ATOM 475 CB VAL A 32 -4.575 -9.783 1.156 1.00 0.00 C ATOM 476 CG1 VAL A 32 -5.231 -10.574 0.041 1.00 0.00 C ATOM 477 CG2 VAL A 32 -5.278 -10.042 2.476 1.00 0.00 C ATOM 0 H VAL A 32 -3.101 -8.816 2.901 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.963 -11.205 1.410 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.663 -8.723 0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.287 -10.312 -0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.745 -10.339 -0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.133 -11.640 0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.335 -9.792 2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.176 -11.094 2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.828 -9.426 3.255 1.00 0.00 H new ATOM 487 N ALA A 33 -1.590 -8.658 0.038 1.00 0.00 N ATOM 488 CA ALA A 33 -0.870 -8.164 -1.128 1.00 0.00 C ATOM 489 C ALA A 33 0.129 -9.199 -1.646 1.00 0.00 C ATOM 490 O ALA A 33 0.646 -9.075 -2.752 1.00 0.00 O ATOM 491 CB ALA A 33 -0.161 -6.864 -0.795 1.00 0.00 C ATOM 0 H ALA A 33 -1.442 -8.112 0.886 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.597 -7.979 -1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.373 -6.505 -1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.894 -6.118 -0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.548 -7.033 0.016 1.00 0.00 H new ATOM 497 N LYS A 34 0.393 -10.223 -0.837 1.00 0.00 N ATOM 498 CA LYS A 34 1.314 -11.280 -1.216 1.00 0.00 C ATOM 499 C LYS A 34 0.680 -12.221 -2.238 1.00 0.00 C ATOM 500 O LYS A 34 1.379 -12.825 -3.049 1.00 0.00 O ATOM 501 CB LYS A 34 1.745 -12.073 0.016 1.00 0.00 C ATOM 502 CG LYS A 34 2.421 -11.228 1.085 1.00 0.00 C ATOM 503 CD LYS A 34 2.828 -12.070 2.284 1.00 0.00 C ATOM 504 CE LYS A 34 1.633 -12.792 2.885 1.00 0.00 C ATOM 505 NZ LYS A 34 2.014 -13.646 4.041 1.00 0.00 N ATOM 0 H LYS A 34 -0.022 -10.339 0.087 1.00 0.00 H new ATOM 0 HA LYS A 34 2.189 -10.815 -1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.870 -12.558 0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.427 -12.865 -0.293 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.301 -10.742 0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.744 -10.437 1.407 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.580 -12.798 1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.288 -11.432 3.039 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.892 -12.060 3.206 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.161 -13.409 2.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.167 -14.118 4.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.701 -14.363 3.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.440 -13.055 4.783 1.00 0.00 H new ATOM 519 N VAL A 35 -0.643 -12.352 -2.194 1.00 0.00 N ATOM 520 CA VAL A 35 -1.347 -13.233 -3.121 1.00 0.00 C ATOM 521 C VAL A 35 -1.902 -12.441 -4.299 1.00 0.00 C ATOM 522 O VAL A 35 -2.168 -12.997 -5.367 1.00 0.00 O ATOM 523 CB VAL A 35 -2.494 -14.016 -2.440 1.00 0.00 C ATOM 524 CG1 VAL A 35 -1.967 -14.814 -1.263 1.00 0.00 C ATOM 525 CG2 VAL A 35 -3.614 -13.087 -1.994 1.00 0.00 C ATOM 0 H VAL A 35 -1.245 -11.863 -1.532 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.615 -13.958 -3.476 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.907 -14.706 -3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.788 -15.359 -0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.214 -15.521 -1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.520 -14.137 -0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.403 -13.670 -1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.222 -12.360 -1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.020 -12.564 -2.860 1.00 0.00 H new ATOM 535 N ILE A 36 -2.071 -11.144 -4.093 1.00 0.00 N ATOM 536 CA ILE A 36 -2.548 -10.255 -5.136 1.00 0.00 C ATOM 537 C ILE A 36 -1.442 -9.997 -6.158 1.00 0.00 C ATOM 538 O ILE A 36 -0.260 -9.967 -5.811 1.00 0.00 O ATOM 539 CB ILE A 36 -3.053 -8.923 -4.527 1.00 0.00 C ATOM 540 CG1 ILE A 36 -4.296 -9.182 -3.670 1.00 0.00 C ATOM 541 CG2 ILE A 36 -3.362 -7.898 -5.609 1.00 0.00 C ATOM 542 CD1 ILE A 36 -4.714 -7.996 -2.830 1.00 0.00 C ATOM 0 H ILE A 36 -1.882 -10.682 -3.203 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.384 -10.734 -5.646 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.261 -8.514 -3.900 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.123 -9.464 -4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.103 -10.031 -3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.714 -6.976 -5.147 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.460 -7.694 -6.185 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.134 -8.289 -6.271 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.600 -8.255 -2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.904 -7.726 -2.152 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.939 -7.151 -3.480 1.00 0.00 H new ATOM 554 N GLU A 37 -1.835 -9.859 -7.417 1.00 0.00 N ATOM 555 CA GLU A 37 -0.895 -9.610 -8.501 1.00 0.00 C ATOM 556 C GLU A 37 -0.250 -8.232 -8.365 1.00 0.00 C ATOM 557 O GLU A 37 -0.868 -7.290 -7.868 1.00 0.00 O ATOM 558 CB GLU A 37 -1.620 -9.721 -9.840 1.00 0.00 C ATOM 559 CG GLU A 37 -2.834 -8.814 -9.946 1.00 0.00 C ATOM 560 CD GLU A 37 -3.609 -9.025 -11.224 1.00 0.00 C ATOM 561 OE1 GLU A 37 -4.309 -10.051 -11.329 1.00 0.00 O ATOM 562 OE2 GLU A 37 -3.513 -8.174 -12.134 1.00 0.00 O ATOM 0 H GLU A 37 -2.809 -9.916 -7.715 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.103 -10.357 -8.451 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.924 -9.479 -10.643 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.933 -10.754 -9.991 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.491 -8.992 -9.094 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.512 -7.774 -9.889 1.00 0.00 H new ATOM 569 N LYS A 38 0.995 -8.127 -8.807 1.00 0.00 N ATOM 570 CA LYS A 38 1.716 -6.862 -8.757 1.00 0.00 C ATOM 571 C LYS A 38 1.282 -5.978 -9.915 1.00 0.00 C ATOM 572 O LYS A 38 0.785 -4.878 -9.699 1.00 0.00 O ATOM 573 CB LYS A 38 3.233 -7.096 -8.774 1.00 0.00 C ATOM 574 CG LYS A 38 3.830 -7.419 -7.404 1.00 0.00 C ATOM 575 CD LYS A 38 3.021 -8.473 -6.661 1.00 0.00 C ATOM 576 CE LYS A 38 3.682 -8.894 -5.360 1.00 0.00 C ATOM 577 NZ LYS A 38 4.904 -9.707 -5.596 1.00 0.00 N ATOM 0 H LYS A 38 1.527 -8.901 -9.204 1.00 0.00 H new ATOM 0 HA LYS A 38 1.476 -6.354 -7.823 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.456 -7.915 -9.458 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.723 -6.207 -9.171 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.854 -7.770 -7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.876 -6.509 -6.805 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.025 -8.082 -6.451 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.892 -9.347 -7.300 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.942 -8.007 -4.782 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.974 -9.468 -4.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.239 -10.101 -4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.683 -10.483 -6.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.646 -9.106 -6.008 1.00 0.00 H new ATOM 591 N SER A 39 1.471 -6.466 -11.142 1.00 0.00 N ATOM 592 CA SER A 39 0.924 -5.811 -12.331 1.00 0.00 C ATOM 593 C SER A 39 1.400 -4.343 -12.449 1.00 0.00 C ATOM 594 O SER A 39 2.299 -3.920 -11.712 1.00 0.00 O ATOM 595 CB SER A 39 -0.606 -5.929 -12.266 1.00 0.00 C ATOM 596 OG SER A 39 -0.998 -7.293 -12.244 1.00 0.00 O ATOM 0 H SER A 39 2.001 -7.315 -11.339 1.00 0.00 H new ATOM 0 HA SER A 39 1.289 -6.302 -13.233 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.978 -5.423 -11.375 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.052 -5.430 -13.126 1.00 0.00 H new ATOM 0 HG SER A 39 -1.967 -7.357 -12.378 1.00 0.00 H new ATOM 602 N PRO A 40 0.867 -3.547 -13.407 1.00 0.00 N ATOM 603 CA PRO A 40 1.223 -2.125 -13.540 1.00 0.00 C ATOM 604 C PRO A 40 0.630 -1.234 -12.438 1.00 0.00 C ATOM 605 O PRO A 40 0.205 -0.111 -12.707 1.00 0.00 O ATOM 606 CB PRO A 40 0.637 -1.723 -14.905 1.00 0.00 C ATOM 607 CG PRO A 40 0.260 -3.000 -15.578 1.00 0.00 C ATOM 608 CD PRO A 40 -0.059 -3.960 -14.476 1.00 0.00 C ATOM 0 HA PRO A 40 2.301 -1.991 -13.455 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.231 -1.075 -14.782 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.367 -1.170 -15.496 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.599 -2.858 -16.234 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.076 -3.372 -16.197 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.100 -3.884 -14.162 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.108 -4.994 -14.779 1.00 0.00 H new ATOM 616 N ILE A 41 0.629 -1.716 -11.196 1.00 0.00 N ATOM 617 CA ILE A 41 0.184 -0.899 -10.068 1.00 0.00 C ATOM 618 C ILE A 41 1.074 0.332 -9.929 1.00 0.00 C ATOM 619 O ILE A 41 0.596 1.428 -9.639 1.00 0.00 O ATOM 620 CB ILE A 41 0.179 -1.694 -8.739 1.00 0.00 C ATOM 621 CG1 ILE A 41 -0.967 -2.706 -8.731 1.00 0.00 C ATOM 622 CG2 ILE A 41 0.071 -0.760 -7.538 1.00 0.00 C ATOM 623 CD1 ILE A 41 -1.051 -3.517 -7.454 1.00 0.00 C ATOM 0 H ILE A 41 0.928 -2.659 -10.947 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.841 -0.592 -10.274 1.00 0.00 H new ATOM 0 HB ILE A 41 1.125 -2.231 -8.663 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.909 -2.177 -8.878 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.847 -3.385 -9.575 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.070 -1.347 -6.620 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.920 -0.077 -7.531 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.854 -0.188 -7.604 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.887 -4.214 -7.520 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.124 -4.074 -7.315 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.202 -2.848 -6.607 1.00 0.00 H new ATOM 635 N ALA A 42 2.368 0.143 -10.174 1.00 0.00 N ATOM 636 CA ALA A 42 3.336 1.235 -10.107 1.00 0.00 C ATOM 637 C ALA A 42 2.973 2.340 -11.097 1.00 0.00 C ATOM 638 O ALA A 42 3.174 3.526 -10.825 1.00 0.00 O ATOM 639 CB ALA A 42 4.739 0.716 -10.381 1.00 0.00 C ATOM 0 H ALA A 42 2.772 -0.760 -10.422 1.00 0.00 H new ATOM 0 HA ALA A 42 3.310 1.655 -9.102 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.449 1.541 -10.328 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.000 -0.036 -9.637 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.774 0.271 -11.375 1.00 0.00 H new ATOM 645 N GLU A 43 2.421 1.937 -12.234 1.00 0.00 N ATOM 646 CA GLU A 43 1.952 2.874 -13.245 1.00 0.00 C ATOM 647 C GLU A 43 0.837 3.748 -12.680 1.00 0.00 C ATOM 648 O GLU A 43 0.781 4.951 -12.924 1.00 0.00 O ATOM 649 CB GLU A 43 1.454 2.104 -14.473 1.00 0.00 C ATOM 650 CG GLU A 43 0.935 2.986 -15.598 1.00 0.00 C ATOM 651 CD GLU A 43 1.999 3.906 -16.152 1.00 0.00 C ATOM 652 OE1 GLU A 43 2.784 3.460 -17.012 1.00 0.00 O ATOM 653 OE2 GLU A 43 2.051 5.077 -15.738 1.00 0.00 O ATOM 0 H GLU A 43 2.286 0.956 -12.480 1.00 0.00 H new ATOM 0 HA GLU A 43 2.779 3.519 -13.542 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.268 1.489 -14.856 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.659 1.425 -14.164 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.550 2.357 -16.400 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.099 3.582 -15.232 1.00 0.00 H new ATOM 660 N ILE A 44 -0.042 3.149 -11.901 1.00 0.00 N ATOM 661 CA ILE A 44 -1.128 3.899 -11.304 1.00 0.00 C ATOM 662 C ILE A 44 -0.612 4.701 -10.109 1.00 0.00 C ATOM 663 O ILE A 44 -1.128 5.775 -9.801 1.00 0.00 O ATOM 664 CB ILE A 44 -2.293 2.986 -10.866 1.00 0.00 C ATOM 665 CG1 ILE A 44 -2.601 1.943 -11.947 1.00 0.00 C ATOM 666 CG2 ILE A 44 -3.532 3.824 -10.582 1.00 0.00 C ATOM 667 CD1 ILE A 44 -3.044 2.538 -13.268 1.00 0.00 C ATOM 0 H ILE A 44 -0.026 2.156 -11.669 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.515 4.579 -12.063 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.998 2.463 -9.956 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.712 1.334 -12.114 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.381 1.275 -11.581 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.349 3.172 -10.274 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.315 4.536 -9.785 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.820 4.365 -11.483 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.243 1.737 -13.980 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.951 3.123 -13.118 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.257 3.183 -13.659 1.00 0.00 H new ATOM 679 N ILE A 45 0.434 4.191 -9.456 1.00 0.00 N ATOM 680 CA ILE A 45 1.043 4.888 -8.324 1.00 0.00 C ATOM 681 C ILE A 45 1.603 6.235 -8.761 1.00 0.00 C ATOM 682 O ILE A 45 1.372 7.249 -8.100 1.00 0.00 O ATOM 683 CB ILE A 45 2.174 4.070 -7.651 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.633 2.768 -7.059 1.00 0.00 C ATOM 685 CG2 ILE A 45 2.851 4.896 -6.564 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.691 1.945 -6.353 1.00 0.00 C ATOM 0 H ILE A 45 0.875 3.302 -9.691 1.00 0.00 H new ATOM 0 HA ILE A 45 0.248 5.028 -7.592 1.00 0.00 H new ATOM 0 HB ILE A 45 2.909 3.819 -8.416 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.835 3.002 -6.355 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.190 2.171 -7.856 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.643 4.308 -6.100 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.278 5.797 -7.005 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.117 5.175 -5.808 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.240 1.035 -5.957 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.478 1.682 -7.059 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.117 2.525 -5.534 1.00 0.00 H new ATOM 698 N ARG A 46 2.326 6.243 -9.879 1.00 0.00 N ATOM 699 CA ARG A 46 2.912 7.473 -10.401 1.00 0.00 C ATOM 700 C ARG A 46 1.824 8.451 -10.825 1.00 0.00 C ATOM 701 O ARG A 46 1.922 9.650 -10.568 1.00 0.00 O ATOM 702 CB ARG A 46 3.864 7.181 -11.568 1.00 0.00 C ATOM 703 CG ARG A 46 3.248 6.377 -12.697 1.00 0.00 C ATOM 704 CD ARG A 46 4.265 6.009 -13.767 1.00 0.00 C ATOM 705 NE ARG A 46 4.799 7.178 -14.466 1.00 0.00 N ATOM 706 CZ ARG A 46 4.904 7.265 -15.795 1.00 0.00 C ATOM 707 NH1 ARG A 46 4.389 6.324 -16.575 1.00 0.00 N ATOM 708 NH2 ARG A 46 5.499 8.315 -16.345 1.00 0.00 N ATOM 0 H ARG A 46 2.519 5.413 -10.439 1.00 0.00 H new ATOM 0 HA ARG A 46 3.493 7.932 -9.601 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.227 8.127 -11.969 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.731 6.642 -11.187 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.805 5.467 -12.292 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.440 6.951 -13.150 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.086 5.459 -13.308 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.799 5.340 -14.490 1.00 0.00 H new ATOM 0 HE ARG A 46 5.109 7.972 -13.906 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.908 5.525 -16.161 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.474 6.399 -17.589 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.876 9.055 -15.753 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.580 8.382 -17.360 1.00 0.00 H new ATOM 722 N LYS A 47 0.781 7.932 -11.456 1.00 0.00 N ATOM 723 CA LYS A 47 -0.361 8.755 -11.834 1.00 0.00 C ATOM 724 C LYS A 47 -0.993 9.377 -10.594 1.00 0.00 C ATOM 725 O LYS A 47 -1.204 10.587 -10.529 1.00 0.00 O ATOM 726 CB LYS A 47 -1.394 7.922 -12.595 1.00 0.00 C ATOM 727 CG LYS A 47 -0.868 7.369 -13.906 1.00 0.00 C ATOM 728 CD LYS A 47 -1.882 6.464 -14.582 1.00 0.00 C ATOM 729 CE LYS A 47 -1.331 5.907 -15.882 1.00 0.00 C ATOM 730 NZ LYS A 47 -2.320 5.065 -16.603 1.00 0.00 N ATOM 0 H LYS A 47 0.701 6.949 -11.717 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.012 9.553 -12.489 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.720 7.095 -11.964 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.272 8.537 -12.794 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.615 8.193 -14.573 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.051 6.813 -13.723 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.146 5.644 -13.914 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.798 7.021 -14.780 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.023 6.731 -16.525 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.440 5.316 -15.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.896 4.709 -17.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.596 4.262 -16.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.161 5.634 -16.829 1.00 0.00 H new ATOM 744 N SER A 48 -1.241 8.544 -9.590 1.00 0.00 N ATOM 745 CA SER A 48 -1.852 8.996 -8.351 1.00 0.00 C ATOM 746 C SER A 48 -0.935 9.970 -7.621 1.00 0.00 C ATOM 747 O SER A 48 -1.395 10.867 -6.926 1.00 0.00 O ATOM 748 CB SER A 48 -2.153 7.805 -7.450 1.00 0.00 C ATOM 749 OG SER A 48 -2.907 6.824 -8.135 1.00 0.00 O ATOM 0 H SER A 48 -1.026 7.547 -9.613 1.00 0.00 H new ATOM 0 HA SER A 48 -2.782 9.508 -8.597 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.219 7.368 -7.096 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.702 8.141 -6.570 1.00 0.00 H new ATOM 0 HG SER A 48 -3.863 7.013 -8.029 1.00 0.00 H new ATOM 755 N ASN A 49 0.367 9.780 -7.780 1.00 0.00 N ATOM 756 CA ASN A 49 1.353 10.637 -7.134 1.00 0.00 C ATOM 757 C ASN A 49 1.269 12.061 -7.671 1.00 0.00 C ATOM 758 O ASN A 49 1.468 13.026 -6.939 1.00 0.00 O ATOM 759 CB ASN A 49 2.762 10.083 -7.347 1.00 0.00 C ATOM 760 CG ASN A 49 3.838 11.013 -6.816 1.00 0.00 C ATOM 761 OD1 ASN A 49 4.100 11.053 -5.616 1.00 0.00 O ATOM 762 ND2 ASN A 49 4.487 11.740 -7.711 1.00 0.00 N ATOM 0 H ASN A 49 0.767 9.037 -8.353 1.00 0.00 H new ATOM 0 HA ASN A 49 1.136 10.655 -6.066 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.847 9.115 -6.853 1.00 0.00 H new ATOM 0 HB3 ASN A 49 2.925 9.914 -8.411 1.00 0.00 H new ATOM 0 HD21 ASN A 49 5.237 12.364 -7.414 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.237 11.676 -8.698 1.00 0.00 H new ATOM 769 N ALA A 50 0.970 12.177 -8.952 1.00 0.00 N ATOM 770 CA ALA A 50 0.848 13.477 -9.593 1.00 0.00 C ATOM 771 C ALA A 50 -0.510 14.108 -9.297 1.00 0.00 C ATOM 772 O ALA A 50 -0.670 15.327 -9.373 1.00 0.00 O ATOM 773 CB ALA A 50 1.058 13.346 -11.094 1.00 0.00 C ATOM 0 H ALA A 50 0.806 11.384 -9.573 1.00 0.00 H new ATOM 0 HA ALA A 50 1.619 14.131 -9.186 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.964 14.326 -11.561 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.053 12.945 -11.289 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.308 12.673 -11.509 1.00 0.00 H new ATOM 779 N GLU A 51 -1.484 13.270 -8.965 1.00 0.00 N ATOM 780 CA GLU A 51 -2.834 13.739 -8.673 1.00 0.00 C ATOM 781 C GLU A 51 -2.980 14.168 -7.216 1.00 0.00 C ATOM 782 O GLU A 51 -3.529 15.230 -6.925 1.00 0.00 O ATOM 783 CB GLU A 51 -3.854 12.645 -8.991 1.00 0.00 C ATOM 784 CG GLU A 51 -3.880 12.245 -10.457 1.00 0.00 C ATOM 785 CD GLU A 51 -4.297 13.383 -11.364 1.00 0.00 C ATOM 786 OE1 GLU A 51 -3.475 14.285 -11.616 1.00 0.00 O ATOM 787 OE2 GLU A 51 -5.456 13.379 -11.829 1.00 0.00 O ATOM 0 H GLU A 51 -1.364 12.260 -8.891 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.021 14.609 -9.302 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.631 11.765 -8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.846 12.989 -8.699 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.891 11.894 -10.752 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.567 11.409 -10.590 1.00 0.00 H new ATOM 794 N LEU A 52 -2.484 13.344 -6.305 1.00 0.00 N ATOM 795 CA LEU A 52 -2.667 13.587 -4.882 1.00 0.00 C ATOM 796 C LEU A 52 -1.332 13.653 -4.152 1.00 0.00 C ATOM 797 O LEU A 52 -0.300 13.258 -4.689 1.00 0.00 O ATOM 798 CB LEU A 52 -3.576 12.504 -4.282 1.00 0.00 C ATOM 799 CG LEU A 52 -3.151 11.052 -4.530 1.00 0.00 C ATOM 800 CD1 LEU A 52 -1.948 10.667 -3.689 1.00 0.00 C ATOM 801 CD2 LEU A 52 -4.303 10.116 -4.252 1.00 0.00 C ATOM 0 H LEU A 52 -1.952 12.502 -6.526 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.148 14.557 -4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.636 12.665 -3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.581 12.640 -4.681 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.863 10.966 -5.578 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.678 9.631 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.108 11.317 -3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.193 10.776 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.988 9.088 -4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.616 10.223 -3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.137 10.360 -4.910 1.00 0.00 H new ATOM 813 N GLY A 53 -1.363 14.142 -2.919 1.00 0.00 N ATOM 814 CA GLY A 53 -0.141 14.270 -2.150 1.00 0.00 C ATOM 815 C GLY A 53 -0.141 13.439 -0.881 1.00 0.00 C ATOM 816 O GLY A 53 0.850 13.422 -0.150 1.00 0.00 O ATOM 0 H GLY A 53 -2.209 14.451 -2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.704 13.972 -2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.008 15.318 -1.890 1.00 0.00 H new ATOM 820 N ARG A 54 -1.237 12.735 -0.614 1.00 0.00 N ATOM 821 CA ARG A 54 -1.342 11.944 0.611 1.00 0.00 C ATOM 822 C ARG A 54 -2.470 10.922 0.538 1.00 0.00 C ATOM 823 O ARG A 54 -2.284 9.771 0.917 1.00 0.00 O ATOM 824 CB ARG A 54 -1.568 12.853 1.821 1.00 0.00 C ATOM 825 CG ARG A 54 -1.634 12.093 3.138 1.00 0.00 C ATOM 826 CD ARG A 54 -2.050 12.997 4.285 1.00 0.00 C ATOM 827 NE ARG A 54 -1.106 14.089 4.504 1.00 0.00 N ATOM 828 CZ ARG A 54 -1.186 14.945 5.520 1.00 0.00 C ATOM 829 NH1 ARG A 54 -2.152 14.824 6.420 1.00 0.00 N ATOM 830 NH2 ARG A 54 -0.290 15.914 5.645 1.00 0.00 N ATOM 0 H ARG A 54 -2.056 12.695 -1.220 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.399 11.408 0.721 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.763 13.586 1.872 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.496 13.408 1.682 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.342 11.269 3.048 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.660 11.654 3.355 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.037 13.410 4.079 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.136 12.406 5.197 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.340 14.203 3.840 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.837 14.073 6.335 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.210 15.482 7.197 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.462 16.004 4.962 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.353 16.569 6.424 1.00 0.00 H new ATOM 844 N LEU A 55 -3.635 11.357 0.054 1.00 0.00 N ATOM 845 CA LEU A 55 -4.844 10.524 0.058 1.00 0.00 C ATOM 846 C LEU A 55 -4.640 9.221 -0.717 1.00 0.00 C ATOM 847 O LEU A 55 -3.677 9.079 -1.470 1.00 0.00 O ATOM 848 CB LEU A 55 -6.024 11.301 -0.529 1.00 0.00 C ATOM 849 CG LEU A 55 -6.315 12.643 0.147 1.00 0.00 C ATOM 850 CD1 LEU A 55 -7.555 13.287 -0.453 1.00 0.00 C ATOM 851 CD2 LEU A 55 -6.477 12.461 1.650 1.00 0.00 C ATOM 0 H LEU A 55 -3.769 12.285 -0.348 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.059 10.265 1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.832 11.478 -1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.917 10.679 -0.466 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.468 13.306 -0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.745 14.240 0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.398 13.455 -1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.412 12.628 -0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.683 13.426 2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.305 11.780 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.559 12.047 2.067 1.00 0.00 H new ATOM 863 N GLY A 56 -5.556 8.280 -0.529 1.00 0.00 N ATOM 864 CA GLY A 56 -5.417 6.980 -1.151 1.00 0.00 C ATOM 865 C GLY A 56 -6.245 6.824 -2.406 1.00 0.00 C ATOM 866 O GLY A 56 -7.454 6.585 -2.341 1.00 0.00 O ATOM 0 H GLY A 56 -6.392 8.395 0.043 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.368 6.812 -1.393 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.706 6.210 -0.436 1.00 0.00 H new ATOM 870 N TYR A 57 -5.588 6.956 -3.546 1.00 0.00 N ATOM 871 CA TYR A 57 -6.224 6.730 -4.838 1.00 0.00 C ATOM 872 C TYR A 57 -6.306 5.233 -5.096 1.00 0.00 C ATOM 873 O TYR A 57 -5.324 4.516 -4.900 1.00 0.00 O ATOM 874 CB TYR A 57 -5.410 7.409 -5.944 1.00 0.00 C ATOM 875 CG TYR A 57 -6.051 7.400 -7.317 1.00 0.00 C ATOM 876 CD1 TYR A 57 -5.913 6.310 -8.169 1.00 0.00 C ATOM 877 CD2 TYR A 57 -6.772 8.496 -7.769 1.00 0.00 C ATOM 878 CE1 TYR A 57 -6.477 6.314 -9.432 1.00 0.00 C ATOM 879 CE2 TYR A 57 -7.342 8.505 -9.027 1.00 0.00 C ATOM 880 CZ TYR A 57 -7.191 7.413 -9.855 1.00 0.00 C ATOM 881 OH TYR A 57 -7.752 7.423 -11.112 1.00 0.00 O ATOM 0 H TYR A 57 -4.605 7.221 -3.605 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.228 7.154 -4.832 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.225 8.443 -5.654 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.439 6.919 -6.011 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.356 5.446 -7.839 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.889 9.356 -7.127 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.358 5.460 -10.083 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.904 9.365 -9.361 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.222 8.271 -11.254 1.00 0.00 H new ATOM 891 N SER A 58 -7.468 4.758 -5.510 1.00 0.00 N ATOM 892 CA SER A 58 -7.637 3.344 -5.795 1.00 0.00 C ATOM 893 C SER A 58 -6.878 2.969 -7.061 1.00 0.00 C ATOM 894 O SER A 58 -7.262 3.347 -8.167 1.00 0.00 O ATOM 895 CB SER A 58 -9.123 3.019 -5.933 1.00 0.00 C ATOM 896 OG SER A 58 -9.834 3.445 -4.780 1.00 0.00 O ATOM 0 H SER A 58 -8.303 5.326 -5.655 1.00 0.00 H new ATOM 0 HA SER A 58 -7.230 2.759 -4.970 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.528 3.509 -6.819 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.255 1.946 -6.073 1.00 0.00 H new ATOM 0 HG SER A 58 -9.244 3.405 -3.999 1.00 0.00 H new ATOM 902 N VAL A 59 -5.796 2.226 -6.885 1.00 0.00 N ATOM 903 CA VAL A 59 -4.931 1.858 -7.994 1.00 0.00 C ATOM 904 C VAL A 59 -5.304 0.495 -8.561 1.00 0.00 C ATOM 905 O VAL A 59 -5.144 0.244 -9.755 1.00 0.00 O ATOM 906 CB VAL A 59 -3.443 1.851 -7.576 1.00 0.00 C ATOM 907 CG1 VAL A 59 -2.995 3.249 -7.185 1.00 0.00 C ATOM 908 CG2 VAL A 59 -3.196 0.879 -6.432 1.00 0.00 C ATOM 0 H VAL A 59 -5.496 1.865 -5.980 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.074 2.614 -8.766 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.857 1.519 -8.433 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.945 3.226 -6.893 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.122 3.922 -8.033 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.597 3.603 -6.348 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.140 0.897 -6.161 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.797 1.171 -5.571 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.473 -0.128 -6.744 1.00 0.00 H new ATOM 918 N TYR A 60 -5.805 -0.382 -7.706 1.00 0.00 N ATOM 919 CA TYR A 60 -6.171 -1.721 -8.128 1.00 0.00 C ATOM 920 C TYR A 60 -7.476 -2.141 -7.474 1.00 0.00 C ATOM 921 O TYR A 60 -7.593 -2.121 -6.252 1.00 0.00 O ATOM 922 CB TYR A 60 -5.053 -2.699 -7.763 1.00 0.00 C ATOM 923 CG TYR A 60 -5.336 -4.135 -8.145 1.00 0.00 C ATOM 924 CD1 TYR A 60 -5.211 -4.560 -9.460 1.00 0.00 C ATOM 925 CD2 TYR A 60 -5.721 -5.066 -7.187 1.00 0.00 C ATOM 926 CE1 TYR A 60 -5.466 -5.871 -9.814 1.00 0.00 C ATOM 927 CE2 TYR A 60 -5.977 -6.380 -7.534 1.00 0.00 C ATOM 928 CZ TYR A 60 -5.848 -6.776 -8.849 1.00 0.00 C ATOM 929 OH TYR A 60 -6.098 -8.085 -9.200 1.00 0.00 O ATOM 0 H TYR A 60 -5.967 -0.190 -6.717 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.311 -1.729 -9.209 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.132 -2.380 -8.251 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.878 -2.648 -6.688 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.909 -3.854 -10.220 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.822 -4.759 -6.157 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.366 -6.184 -10.843 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.276 -7.092 -6.779 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.356 -8.594 -8.403 1.00 0.00 H new ATOM 939 N GLU A 61 -8.456 -2.512 -8.278 1.00 0.00 N ATOM 940 CA GLU A 61 -9.727 -2.966 -7.742 1.00 0.00 C ATOM 941 C GLU A 61 -9.995 -4.404 -8.163 1.00 0.00 C ATOM 942 O GLU A 61 -9.989 -4.734 -9.351 1.00 0.00 O ATOM 943 CB GLU A 61 -10.874 -2.059 -8.191 1.00 0.00 C ATOM 944 CG GLU A 61 -12.217 -2.427 -7.583 1.00 0.00 C ATOM 945 CD GLU A 61 -13.345 -1.564 -8.103 1.00 0.00 C ATOM 946 OE1 GLU A 61 -13.871 -1.871 -9.190 1.00 0.00 O ATOM 947 OE2 GLU A 61 -13.713 -0.577 -7.429 1.00 0.00 O ATOM 0 H GLU A 61 -8.398 -2.508 -9.296 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.668 -2.921 -6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.636 -1.029 -7.927 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.954 -2.099 -9.277 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.435 -3.473 -7.799 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.160 -2.330 -6.499 1.00 0.00 H new ATOM 954 N ASP A 62 -10.204 -5.250 -7.173 1.00 0.00 N ATOM 955 CA ASP A 62 -10.531 -6.643 -7.392 1.00 0.00 C ATOM 956 C ASP A 62 -11.878 -6.921 -6.741 1.00 0.00 C ATOM 957 O ASP A 62 -12.373 -6.093 -5.973 1.00 0.00 O ATOM 958 CB ASP A 62 -9.434 -7.539 -6.797 1.00 0.00 C ATOM 959 CG ASP A 62 -9.698 -9.019 -6.992 1.00 0.00 C ATOM 960 OD1 ASP A 62 -9.426 -9.540 -8.092 1.00 0.00 O ATOM 961 OD2 ASP A 62 -10.185 -9.667 -6.046 1.00 0.00 O ATOM 0 H ASP A 62 -10.151 -4.987 -6.189 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.591 -6.860 -8.459 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.478 -7.284 -7.255 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.343 -7.331 -5.731 1.00 0.00 H new ATOM 966 N ALA A 63 -12.477 -8.059 -7.045 1.00 0.00 N ATOM 967 CA ALA A 63 -13.767 -8.406 -6.470 1.00 0.00 C ATOM 968 C ALA A 63 -13.651 -8.662 -4.971 1.00 0.00 C ATOM 969 O ALA A 63 -14.640 -8.616 -4.242 1.00 0.00 O ATOM 970 CB ALA A 63 -14.352 -9.620 -7.177 1.00 0.00 C ATOM 0 H ALA A 63 -12.094 -8.756 -7.683 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.440 -7.561 -6.613 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.317 -9.868 -6.736 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.484 -9.396 -8.236 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.675 -10.467 -7.067 1.00 0.00 H new ATOM 976 N GLN A 64 -12.433 -8.927 -4.517 1.00 0.00 N ATOM 977 CA GLN A 64 -12.186 -9.205 -3.112 1.00 0.00 C ATOM 978 C GLN A 64 -11.648 -7.970 -2.389 1.00 0.00 C ATOM 979 O GLN A 64 -12.170 -7.574 -1.343 1.00 0.00 O ATOM 980 CB GLN A 64 -11.179 -10.343 -2.984 1.00 0.00 C ATOM 981 CG GLN A 64 -11.466 -11.520 -3.897 1.00 0.00 C ATOM 982 CD GLN A 64 -10.299 -12.478 -3.976 1.00 0.00 C ATOM 983 OE1 GLN A 64 -10.226 -13.456 -3.230 1.00 0.00 O ATOM 984 NE2 GLN A 64 -9.362 -12.185 -4.862 1.00 0.00 N ATOM 0 H GLN A 64 -11.600 -8.955 -5.105 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.132 -9.489 -2.652 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.182 -9.960 -3.203 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -11.167 -10.691 -1.951 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.347 -12.051 -3.536 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.702 -11.154 -4.896 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.464 -11.365 -5.460 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.537 -12.779 -4.948 1.00 0.00 H new ATOM 993 N TYR A 65 -10.604 -7.358 -2.949 1.00 0.00 N ATOM 994 CA TYR A 65 -9.903 -6.266 -2.274 1.00 0.00 C ATOM 995 C TYR A 65 -9.668 -5.088 -3.219 1.00 0.00 C ATOM 996 O TYR A 65 -9.799 -5.217 -4.433 1.00 0.00 O ATOM 997 CB TYR A 65 -8.552 -6.756 -1.730 1.00 0.00 C ATOM 998 CG TYR A 65 -8.623 -8.093 -1.027 1.00 0.00 C ATOM 999 CD1 TYR A 65 -9.025 -8.190 0.296 1.00 0.00 C ATOM 1000 CD2 TYR A 65 -8.295 -9.265 -1.699 1.00 0.00 C ATOM 1001 CE1 TYR A 65 -9.103 -9.413 0.932 1.00 0.00 C ATOM 1002 CE2 TYR A 65 -8.367 -10.490 -1.070 1.00 0.00 C ATOM 1003 CZ TYR A 65 -8.772 -10.560 0.244 1.00 0.00 C ATOM 1004 OH TYR A 65 -8.847 -11.782 0.873 1.00 0.00 O ATOM 0 H TYR A 65 -10.226 -7.599 -3.865 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.532 -5.931 -1.449 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.844 -6.828 -2.555 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.159 -6.012 -1.037 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.282 -7.293 0.839 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.979 -9.215 -2.730 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.421 -9.470 1.962 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.107 -11.391 -1.606 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.581 -12.488 0.248 1.00 0.00 H new ATOM 1014 N ILE A 66 -9.324 -3.939 -2.645 1.00 0.00 N ATOM 1015 CA ILE A 66 -9.024 -2.737 -3.411 1.00 0.00 C ATOM 1016 C ILE A 66 -7.759 -2.075 -2.872 1.00 0.00 C ATOM 1017 O ILE A 66 -7.651 -1.803 -1.675 1.00 0.00 O ATOM 1018 CB ILE A 66 -10.180 -1.718 -3.346 1.00 0.00 C ATOM 1019 CG1 ILE A 66 -11.474 -2.332 -3.875 1.00 0.00 C ATOM 1020 CG2 ILE A 66 -9.830 -0.460 -4.134 1.00 0.00 C ATOM 1021 CD1 ILE A 66 -12.679 -1.429 -3.724 1.00 0.00 C ATOM 0 H ILE A 66 -9.246 -3.817 -1.635 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.882 -3.040 -4.448 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.332 -1.444 -2.302 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.345 -2.579 -4.929 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.664 -3.268 -3.349 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -10.657 0.247 -4.077 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.934 -0.005 -3.713 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.648 -0.722 -5.176 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -13.562 -1.931 -4.121 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.834 -1.203 -2.669 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -12.511 -0.503 -4.273 1.00 0.00 H new ATOM 1033 N GLY A 67 -6.816 -1.813 -3.759 1.00 0.00 N ATOM 1034 CA GLY A 67 -5.570 -1.190 -3.365 1.00 0.00 C ATOM 1035 C GLY A 67 -5.598 0.314 -3.548 1.00 0.00 C ATOM 1036 O GLY A 67 -6.185 0.816 -4.505 1.00 0.00 O ATOM 0 H GLY A 67 -6.891 -2.022 -4.754 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.364 -1.423 -2.320 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.754 -1.611 -3.953 1.00 0.00 H new ATOM 1040 N HIS A 68 -4.967 1.033 -2.632 1.00 0.00 N ATOM 1041 CA HIS A 68 -4.947 2.494 -2.672 1.00 0.00 C ATOM 1042 C HIS A 68 -3.514 2.996 -2.509 1.00 0.00 C ATOM 1043 O HIS A 68 -2.801 2.545 -1.615 1.00 0.00 O ATOM 1044 CB HIS A 68 -5.818 3.086 -1.551 1.00 0.00 C ATOM 1045 CG HIS A 68 -7.183 2.469 -1.421 1.00 0.00 C ATOM 1046 ND1 HIS A 68 -8.298 2.933 -2.090 1.00 0.00 N ATOM 1047 CD2 HIS A 68 -7.606 1.421 -0.673 1.00 0.00 C ATOM 1048 CE1 HIS A 68 -9.343 2.196 -1.759 1.00 0.00 C ATOM 1049 NE2 HIS A 68 -8.949 1.273 -0.900 1.00 0.00 N ATOM 0 H HIS A 68 -4.458 0.629 -1.846 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.347 2.813 -3.635 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.292 2.973 -0.603 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -5.933 4.156 -1.726 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -6.997 0.815 -0.019 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -10.350 2.326 -2.128 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -9.548 0.565 -0.475 1.00 0.00 H new ATOM 1058 N ALA A 69 -3.095 3.920 -3.369 1.00 0.00 N ATOM 1059 CA ALA A 69 -1.735 4.460 -3.304 1.00 0.00 C ATOM 1060 C ALA A 69 -1.647 5.649 -2.364 1.00 0.00 C ATOM 1061 O ALA A 69 -2.350 6.643 -2.541 1.00 0.00 O ATOM 1062 CB ALA A 69 -1.249 4.878 -4.684 1.00 0.00 C ATOM 0 H ALA A 69 -3.671 4.310 -4.115 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.098 3.663 -2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.237 5.276 -4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.251 4.013 -5.348 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.911 5.645 -5.086 1.00 0.00 H new ATOM 1068 N PHE A 70 -0.750 5.555 -1.397 1.00 0.00 N ATOM 1069 CA PHE A 70 -0.512 6.644 -0.464 1.00 0.00 C ATOM 1070 C PHE A 70 0.920 7.145 -0.582 1.00 0.00 C ATOM 1071 O PHE A 70 1.851 6.361 -0.776 1.00 0.00 O ATOM 1072 CB PHE A 70 -0.780 6.193 0.972 1.00 0.00 C ATOM 1073 CG PHE A 70 -2.231 5.944 1.262 1.00 0.00 C ATOM 1074 CD1 PHE A 70 -2.813 4.725 0.960 1.00 0.00 C ATOM 1075 CD2 PHE A 70 -3.011 6.931 1.837 1.00 0.00 C ATOM 1076 CE1 PHE A 70 -4.145 4.495 1.228 1.00 0.00 C ATOM 1077 CE2 PHE A 70 -4.345 6.707 2.105 1.00 0.00 C ATOM 1078 CZ PHE A 70 -4.912 5.486 1.800 1.00 0.00 C ATOM 0 H PHE A 70 -0.171 4.730 -1.237 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.195 7.456 -0.714 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.217 5.281 1.169 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.406 6.953 1.658 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.217 3.946 0.509 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.571 7.887 2.079 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.587 3.539 0.990 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.945 7.485 2.553 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.956 5.308 2.010 1.00 0.00 H new ATOM 1088 N LYS A 71 1.084 8.457 -0.505 1.00 0.00 N ATOM 1089 CA LYS A 71 2.415 9.056 -0.484 1.00 0.00 C ATOM 1090 C LYS A 71 2.995 8.998 0.923 1.00 0.00 C ATOM 1091 O LYS A 71 2.427 9.556 1.864 1.00 0.00 O ATOM 1092 CB LYS A 71 2.376 10.507 -0.969 1.00 0.00 C ATOM 1093 CG LYS A 71 2.668 10.693 -2.457 1.00 0.00 C ATOM 1094 CD LYS A 71 1.519 10.243 -3.351 1.00 0.00 C ATOM 1095 CE LYS A 71 1.587 8.757 -3.670 1.00 0.00 C ATOM 1096 NZ LYS A 71 0.475 8.330 -4.561 1.00 0.00 N ATOM 0 H LYS A 71 0.317 9.127 -0.456 1.00 0.00 H new ATOM 0 HA LYS A 71 3.051 8.485 -1.161 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.392 10.922 -0.752 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.100 11.087 -0.396 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.881 11.744 -2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.565 10.132 -2.718 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.571 10.465 -2.861 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.538 10.813 -4.280 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.541 8.531 -4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.550 8.185 -2.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.837 7.664 -5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.264 7.865 -3.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.073 9.162 -5.038 1.00 0.00 H new ATOM 1110 N LYS A 72 4.130 8.328 1.055 1.00 0.00 N ATOM 1111 CA LYS A 72 4.765 8.128 2.350 1.00 0.00 C ATOM 1112 C LYS A 72 6.093 8.877 2.394 1.00 0.00 C ATOM 1113 O LYS A 72 6.463 9.540 1.423 1.00 0.00 O ATOM 1114 CB LYS A 72 4.997 6.632 2.594 1.00 0.00 C ATOM 1115 CG LYS A 72 3.756 5.768 2.401 1.00 0.00 C ATOM 1116 CD LYS A 72 2.731 5.955 3.512 1.00 0.00 C ATOM 1117 CE LYS A 72 3.261 5.474 4.855 1.00 0.00 C ATOM 1118 NZ LYS A 72 2.191 5.407 5.886 1.00 0.00 N ATOM 0 H LYS A 72 4.635 7.910 0.273 1.00 0.00 H new ATOM 0 HA LYS A 72 4.112 8.515 3.132 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.778 6.282 1.919 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.368 6.494 3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.296 6.010 1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.051 4.720 2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.461 7.008 3.584 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.821 5.409 3.263 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.711 4.488 4.735 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.050 6.145 5.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.614 5.496 6.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.514 6.182 5.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.695 4.496 5.813 1.00 0.00 H new ATOM 1132 N ALA A 73 6.811 8.759 3.503 1.00 0.00 N ATOM 1133 CA ALA A 73 8.083 9.455 3.679 1.00 0.00 C ATOM 1134 C ALA A 73 9.134 8.968 2.684 1.00 0.00 C ATOM 1135 O ALA A 73 9.803 7.956 2.913 1.00 0.00 O ATOM 1136 CB ALA A 73 8.585 9.290 5.103 1.00 0.00 C ATOM 0 H ALA A 73 6.534 8.185 4.299 1.00 0.00 H new ATOM 0 HA ALA A 73 7.910 10.514 3.485 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.534 9.814 5.217 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.854 9.706 5.797 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.728 8.231 5.318 1.00 0.00 H new ATOM 1142 N GLY A 74 9.253 9.681 1.570 1.00 0.00 N ATOM 1143 CA GLY A 74 10.228 9.342 0.550 1.00 0.00 C ATOM 1144 C GLY A 74 9.884 8.066 -0.193 1.00 0.00 C ATOM 1145 O GLY A 74 10.678 7.580 -0.997 1.00 0.00 O ATOM 0 H GLY A 74 8.683 10.499 1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.301 10.163 -0.163 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.209 9.234 1.013 1.00 0.00 H new ATOM 1149 N HIS A 75 8.701 7.520 0.063 1.00 0.00 N ATOM 1150 CA HIS A 75 8.319 6.238 -0.513 1.00 0.00 C ATOM 1151 C HIS A 75 6.835 6.204 -0.843 1.00 0.00 C ATOM 1152 O HIS A 75 6.091 7.125 -0.513 1.00 0.00 O ATOM 1153 CB HIS A 75 8.679 5.094 0.441 1.00 0.00 C ATOM 1154 CG HIS A 75 10.148 4.799 0.498 1.00 0.00 C ATOM 1155 ND1 HIS A 75 10.872 4.790 1.669 1.00 0.00 N ATOM 1156 CD2 HIS A 75 11.029 4.499 -0.485 1.00 0.00 C ATOM 1157 CE1 HIS A 75 12.131 4.498 1.405 1.00 0.00 C ATOM 1158 NE2 HIS A 75 12.255 4.317 0.104 1.00 0.00 N ATOM 0 H HIS A 75 7.993 7.943 0.663 1.00 0.00 H new ATOM 0 HA HIS A 75 8.874 6.109 -1.442 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.328 5.343 1.442 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.148 4.194 0.132 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.808 4.418 -1.539 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.926 4.420 2.131 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.119 4.081 -0.383 1.00 0.00 H new ATOM 1167 N PHE A 76 6.413 5.138 -1.502 1.00 0.00 N ATOM 1168 CA PHE A 76 5.031 4.993 -1.932 1.00 0.00 C ATOM 1169 C PHE A 76 4.483 3.660 -1.458 1.00 0.00 C ATOM 1170 O PHE A 76 5.090 2.632 -1.698 1.00 0.00 O ATOM 1171 CB PHE A 76 4.958 5.075 -3.457 1.00 0.00 C ATOM 1172 CG PHE A 76 5.481 6.368 -4.013 1.00 0.00 C ATOM 1173 CD1 PHE A 76 4.913 7.576 -3.643 1.00 0.00 C ATOM 1174 CD2 PHE A 76 6.548 6.376 -4.894 1.00 0.00 C ATOM 1175 CE1 PHE A 76 5.400 8.766 -4.144 1.00 0.00 C ATOM 1176 CE2 PHE A 76 7.038 7.564 -5.397 1.00 0.00 C ATOM 1177 CZ PHE A 76 6.464 8.760 -5.022 1.00 0.00 C ATOM 0 H PHE A 76 7.014 4.353 -1.753 1.00 0.00 H new ATOM 0 HA PHE A 76 4.432 5.795 -1.501 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.526 4.249 -3.885 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.922 4.946 -3.771 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.080 7.587 -2.955 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.002 5.442 -5.191 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.948 9.702 -3.849 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.871 7.557 -6.084 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.847 9.690 -5.415 1.00 0.00 H new ATOM 1187 N ILE A 77 3.350 3.664 -0.776 1.00 0.00 N ATOM 1188 CA ILE A 77 2.795 2.418 -0.269 1.00 0.00 C ATOM 1189 C ILE A 77 1.344 2.246 -0.697 1.00 0.00 C ATOM 1190 O ILE A 77 0.551 3.188 -0.645 1.00 0.00 O ATOM 1191 CB ILE A 77 2.911 2.326 1.271 1.00 0.00 C ATOM 1192 CG1 ILE A 77 4.385 2.384 1.691 1.00 0.00 C ATOM 1193 CG2 ILE A 77 2.262 1.048 1.788 1.00 0.00 C ATOM 1194 CD1 ILE A 77 4.604 2.253 3.184 1.00 0.00 C ATOM 0 H ILE A 77 2.804 4.499 -0.563 1.00 0.00 H new ATOM 0 HA ILE A 77 3.383 1.609 -0.702 1.00 0.00 H new ATOM 0 HB ILE A 77 2.385 3.174 1.708 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.929 1.588 1.183 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.812 3.328 1.353 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.356 1.005 2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.207 1.039 1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.758 0.184 1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.671 2.303 3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.090 3.064 3.700 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.209 1.297 3.527 1.00 0.00 H new ATOM 1206 N VAL A 78 1.016 1.044 -1.147 1.00 0.00 N ATOM 1207 CA VAL A 78 -0.337 0.720 -1.569 1.00 0.00 C ATOM 1208 C VAL A 78 -1.029 -0.141 -0.521 1.00 0.00 C ATOM 1209 O VAL A 78 -0.655 -1.294 -0.305 1.00 0.00 O ATOM 1210 CB VAL A 78 -0.344 -0.022 -2.921 1.00 0.00 C ATOM 1211 CG1 VAL A 78 -1.763 -0.362 -3.349 1.00 0.00 C ATOM 1212 CG2 VAL A 78 0.351 0.807 -3.987 1.00 0.00 C ATOM 0 H VAL A 78 1.676 0.271 -1.229 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.876 1.661 -1.685 1.00 0.00 H new ATOM 0 HB VAL A 78 0.204 -0.956 -2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.739 -0.885 -4.305 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.226 -1.001 -2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.342 0.556 -3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.337 0.268 -4.934 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.167 1.759 -4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.384 0.990 -3.690 1.00 0.00 H new ATOM 1222 N TYR A 79 -2.025 0.424 0.139 1.00 0.00 N ATOM 1223 CA TYR A 79 -2.770 -0.297 1.154 1.00 0.00 C ATOM 1224 C TYR A 79 -4.004 -0.951 0.540 1.00 0.00 C ATOM 1225 O TYR A 79 -4.824 -0.282 -0.091 1.00 0.00 O ATOM 1226 CB TYR A 79 -3.172 0.652 2.280 1.00 0.00 C ATOM 1227 CG TYR A 79 -2.001 1.213 3.067 1.00 0.00 C ATOM 1228 CD1 TYR A 79 -1.278 2.296 2.589 1.00 0.00 C ATOM 1229 CD2 TYR A 79 -1.628 0.670 4.292 1.00 0.00 C ATOM 1230 CE1 TYR A 79 -0.218 2.820 3.300 1.00 0.00 C ATOM 1231 CE2 TYR A 79 -0.567 1.193 5.013 1.00 0.00 C ATOM 1232 CZ TYR A 79 0.135 2.269 4.510 1.00 0.00 C ATOM 1233 OH TYR A 79 1.191 2.800 5.218 1.00 0.00 O ATOM 0 H TYR A 79 -2.337 1.384 -0.011 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.135 -1.081 1.568 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.741 1.480 1.857 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.837 0.125 2.965 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.550 2.738 1.642 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.175 -0.173 4.688 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.334 3.661 2.907 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.291 0.761 5.963 1.00 0.00 H new ATOM 0 HH TYR A 79 1.311 2.299 6.051 1.00 0.00 H new ATOM 1243 N PHE A 80 -4.115 -2.257 0.716 1.00 0.00 N ATOM 1244 CA PHE A 80 -5.221 -3.021 0.175 1.00 0.00 C ATOM 1245 C PHE A 80 -6.286 -3.248 1.233 1.00 0.00 C ATOM 1246 O PHE A 80 -6.028 -3.866 2.266 1.00 0.00 O ATOM 1247 CB PHE A 80 -4.729 -4.373 -0.344 1.00 0.00 C ATOM 1248 CG PHE A 80 -3.902 -4.285 -1.593 1.00 0.00 C ATOM 1249 CD1 PHE A 80 -2.534 -4.083 -1.523 1.00 0.00 C ATOM 1250 CD2 PHE A 80 -4.495 -4.408 -2.839 1.00 0.00 C ATOM 1251 CE1 PHE A 80 -1.774 -4.002 -2.673 1.00 0.00 C ATOM 1252 CE2 PHE A 80 -3.739 -4.328 -3.994 1.00 0.00 C ATOM 1253 CZ PHE A 80 -2.377 -4.125 -3.909 1.00 0.00 C ATOM 0 H PHE A 80 -3.440 -2.815 1.238 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.653 -2.451 -0.648 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.140 -4.857 0.435 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.591 -5.012 -0.536 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.056 -3.988 -0.559 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.561 -4.568 -2.909 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.708 -3.842 -2.606 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.213 -4.424 -4.960 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.783 -4.062 -4.809 1.00 0.00 H new ATOM 1263 N THR A 81 -7.476 -2.746 0.974 1.00 0.00 N ATOM 1264 CA THR A 81 -8.597 -2.955 1.869 1.00 0.00 C ATOM 1265 C THR A 81 -9.568 -3.951 1.241 1.00 0.00 C ATOM 1266 O THR A 81 -9.677 -4.016 0.021 1.00 0.00 O ATOM 1267 CB THR A 81 -9.319 -1.626 2.186 1.00 0.00 C ATOM 1268 OG1 THR A 81 -9.839 -1.023 0.989 1.00 0.00 O ATOM 1269 CG2 THR A 81 -8.370 -0.653 2.869 1.00 0.00 C ATOM 0 H THR A 81 -7.693 -2.188 0.148 1.00 0.00 H new ATOM 0 HA THR A 81 -8.220 -3.356 2.810 1.00 0.00 H new ATOM 0 HB THR A 81 -10.149 -1.852 2.856 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.293 -0.184 1.216 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.896 0.277 3.085 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.009 -1.090 3.800 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.524 -0.448 2.212 1.00 0.00 H new ATOM 1277 N PRO A 82 -10.269 -4.758 2.051 1.00 0.00 N ATOM 1278 CA PRO A 82 -11.219 -5.764 1.542 1.00 0.00 C ATOM 1279 C PRO A 82 -12.497 -5.127 1.003 1.00 0.00 C ATOM 1280 O PRO A 82 -13.603 -5.474 1.425 1.00 0.00 O ATOM 1281 CB PRO A 82 -11.516 -6.613 2.779 1.00 0.00 C ATOM 1282 CG PRO A 82 -11.307 -5.692 3.929 1.00 0.00 C ATOM 1283 CD PRO A 82 -10.191 -4.768 3.524 1.00 0.00 C ATOM 0 HA PRO A 82 -10.814 -6.333 0.705 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.536 -6.997 2.760 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -10.851 -7.475 2.836 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.216 -5.132 4.151 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -11.046 -6.247 4.830 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -10.326 -3.769 3.940 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -9.224 -5.130 3.872 1.00 0.00 H new ATOM 1291 N LYS A 83 -12.326 -4.204 0.053 1.00 0.00 N ATOM 1292 CA LYS A 83 -13.417 -3.372 -0.447 1.00 0.00 C ATOM 1293 C LYS A 83 -14.010 -2.552 0.688 1.00 0.00 C ATOM 1294 O LYS A 83 -15.148 -2.097 0.612 1.00 0.00 O ATOM 1295 CB LYS A 83 -14.500 -4.215 -1.133 1.00 0.00 C ATOM 1296 CG LYS A 83 -14.228 -4.468 -2.606 1.00 0.00 C ATOM 1297 CD LYS A 83 -15.287 -5.361 -3.227 1.00 0.00 C ATOM 1298 CE LYS A 83 -15.162 -5.411 -4.742 1.00 0.00 C ATOM 1299 NZ LYS A 83 -15.696 -4.186 -5.395 1.00 0.00 N ATOM 0 H LYS A 83 -11.427 -4.015 -0.389 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.009 -2.694 -1.197 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -14.585 -5.172 -0.618 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -15.461 -3.711 -1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.195 -3.518 -3.139 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -13.248 -4.931 -2.721 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -15.197 -6.369 -2.821 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -16.277 -4.995 -2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.114 -5.537 -5.014 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.696 -6.283 -5.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.620 -4.282 -6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -16.694 -4.059 -5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.148 -3.359 -5.083 1.00 0.00 H new ATOM 1313 N ASN A 84 -13.208 -2.355 1.731 1.00 0.00 N ATOM 1314 CA ASN A 84 -13.641 -1.602 2.897 1.00 0.00 C ATOM 1315 C ASN A 84 -13.770 -0.132 2.535 1.00 0.00 C ATOM 1316 O ASN A 84 -12.786 0.535 2.205 1.00 0.00 O ATOM 1317 CB ASN A 84 -12.666 -1.787 4.063 1.00 0.00 C ATOM 1318 CG ASN A 84 -13.251 -1.339 5.395 1.00 0.00 C ATOM 1319 OD1 ASN A 84 -14.068 -0.422 5.460 1.00 0.00 O ATOM 1320 ND2 ASN A 84 -12.845 -2.000 6.468 1.00 0.00 N ATOM 0 H ASN A 84 -12.253 -2.709 1.789 1.00 0.00 H new ATOM 0 HA ASN A 84 -14.613 -1.978 3.216 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.382 -2.837 4.130 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.755 -1.223 3.863 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.212 -1.754 7.388 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -12.166 -2.755 6.375 1.00 0.00 H new ATOM 1327 N LYS A 85 -14.998 0.342 2.581 1.00 0.00 N ATOM 1328 CA LYS A 85 -15.335 1.698 2.190 1.00 0.00 C ATOM 1329 C LYS A 85 -16.141 2.357 3.297 1.00 0.00 C ATOM 1330 O LYS A 85 -16.653 3.467 3.134 1.00 0.00 O ATOM 1331 CB LYS A 85 -16.167 1.648 0.907 1.00 0.00 C ATOM 1332 CG LYS A 85 -17.453 0.856 1.086 1.00 0.00 C ATOM 1333 CD LYS A 85 -18.087 0.463 -0.236 1.00 0.00 C ATOM 1334 CE LYS A 85 -19.290 -0.435 0.001 1.00 0.00 C ATOM 1335 NZ LYS A 85 -19.824 -1.014 -1.256 1.00 0.00 N ATOM 0 H LYS A 85 -15.799 -0.207 2.894 1.00 0.00 H new ATOM 0 HA LYS A 85 -14.426 2.274 2.018 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -16.409 2.663 0.593 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -15.575 1.200 0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -17.244 -0.043 1.665 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -18.163 1.449 1.663 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -18.393 1.357 -0.780 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -17.356 -0.054 -0.858 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -19.009 -1.242 0.678 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -20.075 0.138 0.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -20.643 -1.618 -1.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -20.118 -0.247 -1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -19.086 -1.584 -1.717 1.00 0.00 H new ATOM 1349 N ASN A 86 -16.230 1.654 4.428 1.00 0.00 N ATOM 1350 CA ASN A 86 -17.145 2.011 5.508 1.00 0.00 C ATOM 1351 C ASN A 86 -18.585 1.891 5.023 1.00 0.00 C ATOM 1352 O ASN A 86 -19.209 0.843 5.188 1.00 0.00 O ATOM 1353 CB ASN A 86 -16.863 3.423 6.051 1.00 0.00 C ATOM 1354 CG ASN A 86 -15.680 3.454 7.000 1.00 0.00 C ATOM 1355 OD1 ASN A 86 -15.457 2.508 7.751 1.00 0.00 O ATOM 1356 ND2 ASN A 86 -14.913 4.537 6.970 1.00 0.00 N ATOM 0 H ASN A 86 -15.670 0.823 4.618 1.00 0.00 H new ATOM 0 HA ASN A 86 -16.987 1.316 6.333 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -16.673 4.099 5.217 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -17.749 3.794 6.567 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -14.103 4.606 7.586 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.134 5.301 6.331 1.00 0.00 H new ATOM 1363 N ARG A 87 -19.073 2.956 4.389 1.00 0.00 N ATOM 1364 CA ARG A 87 -20.416 3.016 3.806 1.00 0.00 C ATOM 1365 C ARG A 87 -20.754 4.468 3.534 1.00 0.00 C ATOM 1366 O ARG A 87 -21.202 4.830 2.445 1.00 0.00 O ATOM 1367 CB ARG A 87 -21.482 2.406 4.726 1.00 0.00 C ATOM 1368 CG ARG A 87 -22.897 2.507 4.173 1.00 0.00 C ATOM 1369 CD ARG A 87 -23.866 1.628 4.948 1.00 0.00 C ATOM 1370 NE ARG A 87 -23.834 1.895 6.386 1.00 0.00 N ATOM 1371 CZ ARG A 87 -24.411 1.108 7.296 1.00 0.00 C ATOM 1372 NH1 ARG A 87 -25.117 0.053 6.914 1.00 0.00 N ATOM 1373 NH2 ARG A 87 -24.293 1.383 8.588 1.00 0.00 N ATOM 0 H ARG A 87 -18.539 3.816 4.263 1.00 0.00 H new ATOM 0 HA ARG A 87 -20.415 2.431 2.886 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -21.243 1.357 4.899 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -21.443 2.906 5.694 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -23.232 3.544 4.216 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -22.900 2.214 3.123 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -24.877 1.789 4.574 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -23.623 0.580 4.770 1.00 0.00 H new ATOM 0 HE ARG A 87 -23.344 2.728 6.711 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -25.220 -0.159 5.922 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -25.557 -0.546 7.612 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -23.760 2.199 8.889 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -24.736 0.779 9.280 1.00 0.00 H new ATOM 1387 N GLU A 88 -20.508 5.291 4.541 1.00 0.00 N ATOM 1388 CA GLU A 88 -20.759 6.717 4.456 1.00 0.00 C ATOM 1389 C GLU A 88 -19.781 7.362 3.484 1.00 0.00 C ATOM 1390 O GLU A 88 -18.641 6.910 3.352 1.00 0.00 O ATOM 1391 CB GLU A 88 -20.602 7.356 5.835 1.00 0.00 C ATOM 1392 CG GLU A 88 -21.184 6.525 6.969 1.00 0.00 C ATOM 1393 CD GLU A 88 -22.664 6.254 6.808 1.00 0.00 C ATOM 1394 OE1 GLU A 88 -23.474 7.154 7.115 1.00 0.00 O ATOM 1395 OE2 GLU A 88 -23.024 5.130 6.403 1.00 0.00 O ATOM 0 H GLU A 88 -20.129 4.988 5.438 1.00 0.00 H new ATOM 0 HA GLU A 88 -21.777 6.874 4.098 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.543 7.525 6.028 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -21.085 8.333 5.829 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -20.651 5.576 7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.016 7.042 7.914 1.00 0.00 H new ATOM 1402 N GLY A 89 -20.222 8.416 2.814 1.00 0.00 N ATOM 1403 CA GLY A 89 -19.353 9.124 1.896 1.00 0.00 C ATOM 1404 C GLY A 89 -18.390 10.045 2.621 1.00 0.00 C ATOM 1405 O GLY A 89 -18.474 11.267 2.496 1.00 0.00 O ATOM 0 H GLY A 89 -21.166 8.794 2.889 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -18.789 8.404 1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -19.958 9.706 1.201 1.00 0.00 H new ATOM 1409 N VAL A 90 -17.488 9.458 3.392 1.00 0.00 N ATOM 1410 CA VAL A 90 -16.501 10.222 4.136 1.00 0.00 C ATOM 1411 C VAL A 90 -15.302 10.560 3.255 1.00 0.00 C ATOM 1412 O VAL A 90 -14.488 9.696 2.923 1.00 0.00 O ATOM 1413 CB VAL A 90 -16.042 9.475 5.410 1.00 0.00 C ATOM 1414 CG1 VAL A 90 -17.142 9.494 6.459 1.00 0.00 C ATOM 1415 CG2 VAL A 90 -15.641 8.036 5.099 1.00 0.00 C ATOM 0 H VAL A 90 -17.420 8.448 3.519 1.00 0.00 H new ATOM 0 HA VAL A 90 -16.977 11.151 4.450 1.00 0.00 H new ATOM 0 HB VAL A 90 -15.166 9.993 5.800 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -16.804 8.964 7.350 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -17.380 10.526 6.718 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -18.032 9.005 6.062 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -15.324 7.540 6.016 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -16.493 7.504 4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -14.819 8.034 4.383 1.00 0.00 H new ATOM 1425 N VAL A 91 -15.214 11.819 2.859 1.00 0.00 N ATOM 1426 CA VAL A 91 -14.143 12.268 1.986 1.00 0.00 C ATOM 1427 C VAL A 91 -13.299 13.341 2.668 1.00 0.00 C ATOM 1428 O VAL A 91 -13.811 14.372 3.113 1.00 0.00 O ATOM 1429 CB VAL A 91 -14.685 12.789 0.634 1.00 0.00 C ATOM 1430 CG1 VAL A 91 -15.227 11.637 -0.201 1.00 0.00 C ATOM 1431 CG2 VAL A 91 -15.763 13.844 0.840 1.00 0.00 C ATOM 0 H VAL A 91 -15.873 12.549 3.129 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.511 11.404 1.780 1.00 0.00 H new ATOM 0 HB VAL A 91 -13.857 13.254 0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -15.604 12.021 -1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -14.429 10.919 -0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -16.036 11.145 0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -16.123 14.190 -0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -16.591 13.413 1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -15.347 14.686 1.394 1.00 0.00 H new ATOM 1441 N PRO A 92 -11.989 13.092 2.780 1.00 0.00 N ATOM 1442 CA PRO A 92 -11.054 14.014 3.426 1.00 0.00 C ATOM 1443 C PRO A 92 -10.725 15.222 2.556 1.00 0.00 C ATOM 1444 O PRO A 92 -10.438 15.079 1.365 1.00 0.00 O ATOM 1445 CB PRO A 92 -9.806 13.156 3.621 1.00 0.00 C ATOM 1446 CG PRO A 92 -9.858 12.186 2.494 1.00 0.00 C ATOM 1447 CD PRO A 92 -11.314 11.875 2.293 1.00 0.00 C ATOM 0 HA PRO A 92 -11.464 14.430 4.346 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -8.898 13.758 3.588 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.817 12.649 4.586 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -9.420 12.611 1.591 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.293 11.283 2.728 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -11.543 11.679 1.245 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -11.619 10.993 2.856 1.00 0.00 H new ATOM 1455 N PRO A 93 -10.768 16.427 3.140 1.00 0.00 N ATOM 1456 CA PRO A 93 -10.407 17.658 2.435 1.00 0.00 C ATOM 1457 C PRO A 93 -8.954 17.638 1.970 1.00 0.00 C ATOM 1458 O PRO A 93 -8.059 17.239 2.717 1.00 0.00 O ATOM 1459 CB PRO A 93 -10.625 18.759 3.479 1.00 0.00 C ATOM 1460 CG PRO A 93 -10.625 18.056 4.795 1.00 0.00 C ATOM 1461 CD PRO A 93 -11.168 16.683 4.532 1.00 0.00 C ATOM 0 HA PRO A 93 -11.000 17.801 1.532 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -9.834 19.508 3.433 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.568 19.280 3.311 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.618 18.004 5.209 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.241 18.587 5.521 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.746 15.945 5.215 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.251 16.648 4.653 1.00 0.00 H new ATOM 1469 N VAL A 94 -8.724 18.056 0.733 1.00 0.00 N ATOM 1470 CA VAL A 94 -7.385 18.054 0.169 1.00 0.00 C ATOM 1471 C VAL A 94 -6.538 19.179 0.772 1.00 0.00 C ATOM 1472 O VAL A 94 -6.648 20.346 0.393 1.00 0.00 O ATOM 1473 CB VAL A 94 -7.413 18.139 -1.382 1.00 0.00 C ATOM 1474 CG1 VAL A 94 -8.224 19.337 -1.865 1.00 0.00 C ATOM 1475 CG2 VAL A 94 -6.004 18.175 -1.953 1.00 0.00 C ATOM 0 H VAL A 94 -9.448 18.400 0.103 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.920 17.103 0.429 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.906 17.238 -1.748 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.221 19.363 -2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.250 19.250 -1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.782 20.255 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.053 18.234 -3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.477 19.047 -1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.471 17.270 -1.663 1.00 0.00 H new ATOM 1485 N GLY A 95 -5.694 18.816 1.729 1.00 0.00 N ATOM 1486 CA GLY A 95 -4.878 19.798 2.419 1.00 0.00 C ATOM 1487 C GLY A 95 -3.586 20.105 1.691 1.00 0.00 C ATOM 1488 O GLY A 95 -2.630 20.591 2.295 1.00 0.00 O ATOM 0 H GLY A 95 -5.559 17.854 2.041 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -5.449 20.718 2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.648 19.433 3.420 1.00 0.00 H new ATOM 1492 N ILE A 96 -3.553 19.818 0.399 1.00 0.00 N ATOM 1493 CA ILE A 96 -2.394 20.135 -0.424 1.00 0.00 C ATOM 1494 C ILE A 96 -2.417 21.613 -0.788 1.00 0.00 C ATOM 1495 O ILE A 96 -1.392 22.295 -0.767 1.00 0.00 O ATOM 1496 CB ILE A 96 -2.369 19.287 -1.717 1.00 0.00 C ATOM 1497 CG1 ILE A 96 -2.389 17.793 -1.381 1.00 0.00 C ATOM 1498 CG2 ILE A 96 -1.147 19.624 -2.563 1.00 0.00 C ATOM 1499 CD1 ILE A 96 -1.220 17.341 -0.532 1.00 0.00 C ATOM 0 H ILE A 96 -4.316 19.365 -0.104 1.00 0.00 H new ATOM 0 HA ILE A 96 -1.498 19.904 0.151 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.262 19.525 -2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -3.317 17.560 -0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.394 17.222 -2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.151 19.015 -3.467 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.173 20.679 -2.836 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.241 19.419 -1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.304 16.272 -0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.288 17.541 -1.060 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -1.225 17.884 0.413 1.00 0.00 H new ATOM 1511 N THR A 97 -3.607 22.101 -1.102 1.00 0.00 N ATOM 1512 CA THR A 97 -3.798 23.497 -1.441 1.00 0.00 C ATOM 1513 C THR A 97 -4.049 24.319 -0.180 1.00 0.00 C ATOM 1514 O THR A 97 -4.799 23.905 0.705 1.00 0.00 O ATOM 1515 CB THR A 97 -4.967 23.677 -2.443 1.00 0.00 C ATOM 1516 OG1 THR A 97 -5.309 25.063 -2.575 1.00 0.00 O ATOM 1517 CG2 THR A 97 -6.194 22.885 -2.010 1.00 0.00 C ATOM 0 H THR A 97 -4.460 21.543 -1.128 1.00 0.00 H new ATOM 0 HA THR A 97 -2.887 23.854 -1.920 1.00 0.00 H new ATOM 0 HB THR A 97 -4.633 23.296 -3.408 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.047 25.159 -3.212 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.996 23.032 -2.733 1.00 0.00 H new ATOM 0 HG22 THR A 97 -5.943 21.826 -1.957 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.522 23.230 -1.029 1.00 0.00 H new ATOM 1525 N ASN A 98 -3.401 25.471 -0.095 1.00 0.00 N ATOM 1526 CA ASN A 98 -3.559 26.358 1.047 1.00 0.00 C ATOM 1527 C ASN A 98 -3.561 27.812 0.599 1.00 0.00 C ATOM 1528 O ASN A 98 -4.493 28.553 0.979 1.00 0.00 O ATOM 1529 CB ASN A 98 -2.482 26.096 2.119 1.00 0.00 C ATOM 1530 CG ASN A 98 -1.065 25.922 1.578 1.00 0.00 C ATOM 1531 OD1 ASN A 98 -0.285 25.142 2.127 1.00 0.00 O ATOM 1532 ND2 ASN A 98 -0.706 26.651 0.537 1.00 0.00 N ATOM 1533 OXT ASN A 98 -2.663 28.197 -0.172 1.00 0.00 O ATOM 0 H ASN A 98 -2.757 25.815 -0.808 1.00 0.00 H new ATOM 0 HA ASN A 98 -4.524 26.147 1.507 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.486 26.925 2.827 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.755 25.200 2.676 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.241 26.577 0.165 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.376 27.288 0.105 1.00 0.00 H new TER 1540 ASN A 98