USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=35 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 97 TYR OH : rot 51:sc= -4.35! USER MOD Set 1.2: A 101 LYS NZ :NH3+ -154:sc= 1.21 (180deg=-0.0733) USER MOD Set 2.1: A 86 ASN :FLIP amide:sc= -0.787 F(o=-4.6,f=-2.3) USER MOD Set 2.2: A 88 ASN : amide:sc= -1.51 X(o=-2.3,f=-2.6) USER MOD Set 3.1: A 33 GLN : amide:sc= -0.0294 X(o=-0.19,f=-0.34) USER MOD Set 3.2: A 37 LYS NZ :NH3+ 162:sc= -0.164 (180deg=-0.567) USER MOD Set 4.1: A 4 LYS NZ :NH3+ 141:sc= -1.99! (180deg=-3.56!) USER MOD Set 4.2: A 5 SER OG : rot -140:sc= -2.58! USER MOD Set 4.3: A 41 SER OG : rot 110:sc= -0.514 USER MOD Single : A 1 MET CE :methyl -173:sc= -25.4! (180deg=-25.9!) USER MOD Single : A 1 MET N :NH3+ -128:sc= 1.38 (180deg=-0.941) USER MOD Single : A 6 GLN : amide:sc= -0.0533 X(o=-0.053,f=-0.23) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0715 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.817 X(o=-0.82,f=-0.6) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -160:sc= -0.239 (180deg=-1.31!) USER MOD Single : A 22 LYS NZ :NH3+ 135:sc= -1.77! (180deg=-4.61!) USER MOD Single : A 24 ASN :FLIP amide:sc= -10.3! C(o=-13!,f=-10!) USER MOD Single : A 28 SER OG : rot 66:sc= -0.0553! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 88:sc= -0.713 USER MOD Single : A 39 THR OG1 : rot -91:sc= -0.31 USER MOD Single : A 42 ASN : amide:sc= -0.266 K(o=-0.27,f=-2.4!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 165:sc= -5.85! USER MOD Single : A 52 SER OG : rot 150:sc= -6.24! USER MOD Single : A 55 SER OG : rot 180:sc= 0.0558 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0496 USER MOD Single : A 72 SER OG : rot -50:sc= -2.48! USER MOD Single : A 73 MET CE :methyl 176:sc= -9.53! (180deg=-9.78!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 82 LYS NZ :NH3+ 157:sc= -0.271 (180deg=-1.7!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 150:sc= 0.0812 USER MOD Single : A 93 LYS NZ :NH3+ -145:sc= -3.1 (180deg=-6.39!) USER MOD Single : A 96 LYS NZ :NH3+ 158:sc= -0.36 (180deg=-0.965) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.683 4.260 13.855 1.00 0.00 N ATOM 2 CA MET A 1 4.822 5.265 12.767 1.00 0.00 C ATOM 3 C MET A 1 4.394 6.643 13.224 1.00 0.00 C ATOM 4 O MET A 1 4.032 6.856 14.380 1.00 0.00 O ATOM 5 CB MET A 1 3.916 4.873 11.599 1.00 0.00 C ATOM 6 CG MET A 1 4.066 3.456 11.142 1.00 0.00 C ATOM 7 SD MET A 1 3.092 2.320 12.126 1.00 0.00 S ATOM 8 CE MET A 1 2.515 1.270 10.814 1.00 0.00 C ATOM 0 H1 MET A 1 5.579 3.744 13.968 1.00 0.00 H new ATOM 0 H2 MET A 1 4.447 4.743 14.745 1.00 0.00 H new ATOM 0 H3 MET A 1 3.926 3.589 13.613 1.00 0.00 H new ATOM 0 HA MET A 1 5.872 5.288 12.475 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.879 5.039 11.889 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.122 5.536 10.758 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.765 3.379 10.097 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.116 3.169 11.193 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.785 0.563 11.208 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.050 1.879 10.039 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.357 0.723 10.389 1.00 0.00 H new ATOM 20 N ASP A 2 4.381 7.556 12.268 1.00 0.00 N ATOM 21 CA ASP A 2 3.931 8.906 12.503 1.00 0.00 C ATOM 22 C ASP A 2 2.559 9.042 11.874 1.00 0.00 C ATOM 23 O ASP A 2 2.087 8.126 11.211 1.00 0.00 O ATOM 24 CB ASP A 2 4.903 9.926 11.908 1.00 0.00 C ATOM 25 CG ASP A 2 5.666 10.689 12.973 1.00 0.00 C ATOM 26 OD1 ASP A 2 5.016 11.337 13.820 1.00 0.00 O ATOM 27 OD2 ASP A 2 6.914 10.641 12.959 1.00 0.00 O ATOM 0 H ASP A 2 4.683 7.377 11.310 1.00 0.00 H new ATOM 0 HA ASP A 2 3.884 9.105 13.574 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.610 9.412 11.256 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.350 10.630 11.286 1.00 0.00 H new ATOM 32 N ILE A 3 1.927 10.170 12.085 1.00 0.00 N ATOM 33 CA ILE A 3 0.597 10.422 11.546 1.00 0.00 C ATOM 34 C ILE A 3 0.509 10.076 10.065 1.00 0.00 C ATOM 35 O ILE A 3 -0.444 9.440 9.615 1.00 0.00 O ATOM 36 CB ILE A 3 0.240 11.892 11.749 1.00 0.00 C ATOM 37 CG1 ILE A 3 -0.119 12.166 13.218 1.00 0.00 C ATOM 38 CG2 ILE A 3 -0.889 12.313 10.821 1.00 0.00 C ATOM 39 CD1 ILE A 3 0.558 11.237 14.211 1.00 0.00 C ATOM 0 H ILE A 3 2.311 10.941 12.631 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.108 9.783 12.078 1.00 0.00 H new ATOM 0 HB ILE A 3 1.115 12.491 11.498 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.149 13.195 13.460 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.199 12.082 13.338 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.123 13.365 10.987 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.582 12.168 9.785 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.772 11.708 11.025 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.250 11.499 15.223 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.271 10.207 14.000 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.640 11.337 14.124 1.00 0.00 H new ATOM 51 N LYS A 4 1.504 10.520 9.323 1.00 0.00 N ATOM 52 CA LYS A 4 1.557 10.286 7.875 1.00 0.00 C ATOM 53 C LYS A 4 1.231 8.835 7.570 1.00 0.00 C ATOM 54 O LYS A 4 0.345 8.542 6.774 1.00 0.00 O ATOM 55 CB LYS A 4 2.932 10.631 7.251 1.00 0.00 C ATOM 56 CG LYS A 4 3.883 11.448 8.129 1.00 0.00 C ATOM 57 CD LYS A 4 5.071 10.658 8.705 1.00 0.00 C ATOM 58 CE LYS A 4 4.836 9.157 8.846 1.00 0.00 C ATOM 59 NZ LYS A 4 6.080 8.449 9.260 1.00 0.00 N ATOM 0 H LYS A 4 2.295 11.048 9.692 1.00 0.00 H new ATOM 0 HA LYS A 4 0.817 10.952 7.431 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.430 9.700 6.980 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.761 11.181 6.326 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.270 12.282 7.543 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.315 11.876 8.955 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.939 10.817 8.065 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.319 11.066 9.685 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.051 8.977 9.581 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.483 8.752 7.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.843 7.700 9.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.533 8.026 8.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.734 9.126 9.703 1.00 0.00 H new ATOM 73 N SER A 5 1.953 7.939 8.224 1.00 0.00 N ATOM 74 CA SER A 5 1.748 6.505 8.047 1.00 0.00 C ATOM 75 C SER A 5 0.625 5.998 8.947 1.00 0.00 C ATOM 76 O SER A 5 -0.045 5.025 8.626 1.00 0.00 O ATOM 77 CB SER A 5 3.037 5.736 8.349 1.00 0.00 C ATOM 78 OG SER A 5 4.151 6.607 8.428 1.00 0.00 O ATOM 0 H SER A 5 2.691 8.179 8.886 1.00 0.00 H new ATOM 0 HA SER A 5 1.466 6.336 7.008 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.928 5.195 9.289 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.209 4.992 7.571 1.00 0.00 H new ATOM 0 HG SER A 5 4.926 6.187 8.000 1.00 0.00 H new ATOM 84 N GLN A 6 0.457 6.649 10.090 1.00 0.00 N ATOM 85 CA GLN A 6 -0.546 6.270 11.078 1.00 0.00 C ATOM 86 C GLN A 6 -1.912 5.945 10.499 1.00 0.00 C ATOM 87 O GLN A 6 -2.501 4.935 10.859 1.00 0.00 O ATOM 88 CB GLN A 6 -0.683 7.376 12.109 1.00 0.00 C ATOM 89 CG GLN A 6 -0.744 6.859 13.521 1.00 0.00 C ATOM 90 CD GLN A 6 -1.435 7.821 14.463 1.00 0.00 C ATOM 91 OE1 GLN A 6 -0.823 8.353 15.389 1.00 0.00 O ATOM 92 NE2 GLN A 6 -2.721 8.050 14.226 1.00 0.00 N ATOM 0 H GLN A 6 1.015 7.459 10.360 1.00 0.00 H new ATOM 0 HA GLN A 6 -0.186 5.346 11.531 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.160 8.060 12.014 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -1.585 7.951 11.899 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.270 5.904 13.532 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.268 6.670 13.879 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -3.186 7.586 13.446 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -3.244 8.690 14.824 1.00 0.00 H new ATOM 101 N THR A 7 -2.434 6.796 9.641 1.00 0.00 N ATOM 102 CA THR A 7 -3.744 6.548 9.072 1.00 0.00 C ATOM 103 C THR A 7 -3.649 5.530 7.961 1.00 0.00 C ATOM 104 O THR A 7 -4.531 4.687 7.798 1.00 0.00 O ATOM 105 CB THR A 7 -4.404 7.825 8.587 1.00 0.00 C ATOM 106 OG1 THR A 7 -3.594 8.955 8.853 1.00 0.00 O ATOM 107 CG2 THR A 7 -5.741 8.037 9.249 1.00 0.00 C ATOM 0 H THR A 7 -1.981 7.653 9.325 1.00 0.00 H new ATOM 0 HA THR A 7 -4.377 6.145 9.862 1.00 0.00 H new ATOM 0 HB THR A 7 -4.540 7.715 7.511 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.043 9.763 8.528 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.187 8.960 8.880 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.398 7.199 9.018 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.606 8.106 10.328 1.00 0.00 H new ATOM 115 N LEU A 8 -2.547 5.570 7.236 1.00 0.00 N ATOM 116 CA LEU A 8 -2.317 4.597 6.183 1.00 0.00 C ATOM 117 C LEU A 8 -2.129 3.259 6.862 1.00 0.00 C ATOM 118 O LEU A 8 -2.528 2.211 6.354 1.00 0.00 O ATOM 119 CB LEU A 8 -1.084 4.953 5.338 1.00 0.00 C ATOM 120 CG LEU A 8 -0.539 6.361 5.555 1.00 0.00 C ATOM 121 CD1 LEU A 8 0.690 6.604 4.695 1.00 0.00 C ATOM 122 CD2 LEU A 8 -1.618 7.392 5.275 1.00 0.00 C ATOM 0 H LEU A 8 -1.803 6.258 7.354 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.163 4.578 5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.293 4.236 5.557 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.338 4.836 4.284 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.236 6.459 6.598 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.060 7.615 4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.465 5.884 4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.427 6.488 3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.215 8.392 5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.954 7.296 4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.460 7.229 5.947 1.00 0.00 H new ATOM 134 N TYR A 9 -1.554 3.337 8.053 1.00 0.00 N ATOM 135 CA TYR A 9 -1.336 2.190 8.881 1.00 0.00 C ATOM 136 C TYR A 9 -2.663 1.712 9.421 1.00 0.00 C ATOM 137 O TYR A 9 -3.111 0.600 9.162 1.00 0.00 O ATOM 138 CB TYR A 9 -0.472 2.579 10.046 1.00 0.00 C ATOM 139 CG TYR A 9 -0.259 1.458 11.008 1.00 0.00 C ATOM 140 CD1 TYR A 9 -0.367 0.129 10.602 1.00 0.00 C ATOM 141 CD2 TYR A 9 0.116 1.731 12.303 1.00 0.00 C ATOM 142 CE1 TYR A 9 -0.098 -0.894 11.488 1.00 0.00 C ATOM 143 CE2 TYR A 9 0.378 0.720 13.195 1.00 0.00 C ATOM 144 CZ TYR A 9 0.275 -0.594 12.785 1.00 0.00 C ATOM 145 OH TYR A 9 0.545 -1.612 13.672 1.00 0.00 O ATOM 0 H TYR A 9 -1.228 4.212 8.463 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.856 1.406 8.296 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.494 2.923 9.677 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.931 3.418 10.569 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.663 -0.101 9.589 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.206 2.758 12.624 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.178 -1.923 11.170 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.663 0.952 14.211 1.00 0.00 H new ATOM 0 HH TYR A 9 0.794 -1.232 14.540 1.00 0.00 H new ATOM 155 N LEU A 10 -3.287 2.598 10.183 1.00 0.00 N ATOM 156 CA LEU A 10 -4.581 2.321 10.775 1.00 0.00 C ATOM 157 C LEU A 10 -5.521 1.829 9.696 1.00 0.00 C ATOM 158 O LEU A 10 -6.345 0.948 9.928 1.00 0.00 O ATOM 159 CB LEU A 10 -5.150 3.567 11.456 1.00 0.00 C ATOM 160 CG LEU A 10 -4.610 3.838 12.861 1.00 0.00 C ATOM 161 CD1 LEU A 10 -4.810 5.297 13.237 1.00 0.00 C ATOM 162 CD2 LEU A 10 -5.284 2.927 13.876 1.00 0.00 C ATOM 0 H LEU A 10 -2.912 3.520 10.405 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.467 1.552 11.539 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.940 4.433 10.829 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.234 3.469 11.512 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.541 3.626 12.866 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.420 5.471 14.240 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.281 5.932 12.526 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.873 5.536 13.215 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.888 3.134 14.870 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.359 3.107 13.869 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.089 1.886 13.617 1.00 0.00 H new ATOM 174 N ASN A 11 -5.354 2.375 8.496 1.00 0.00 N ATOM 175 CA ASN A 11 -6.157 1.955 7.367 1.00 0.00 C ATOM 176 C ASN A 11 -5.841 0.497 7.078 1.00 0.00 C ATOM 177 O ASN A 11 -6.722 -0.283 6.732 1.00 0.00 O ATOM 178 CB ASN A 11 -5.872 2.817 6.136 1.00 0.00 C ATOM 179 CG ASN A 11 -6.833 3.983 6.012 1.00 0.00 C ATOM 180 OD1 ASN A 11 -8.049 3.798 5.969 1.00 0.00 O ATOM 181 ND2 ASN A 11 -6.290 5.194 5.952 1.00 0.00 N ATOM 0 H ASN A 11 -4.673 3.105 8.287 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.214 2.073 7.607 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -4.851 3.195 6.189 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -5.937 2.199 5.240 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.887 6.017 5.867 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.276 5.301 5.991 1.00 0.00 H new ATOM 188 N LEU A 12 -4.567 0.136 7.256 1.00 0.00 N ATOM 189 CA LEU A 12 -4.130 -1.231 7.054 1.00 0.00 C ATOM 190 C LEU A 12 -4.732 -2.130 8.117 1.00 0.00 C ATOM 191 O LEU A 12 -5.106 -3.265 7.843 1.00 0.00 O ATOM 192 CB LEU A 12 -2.611 -1.327 7.072 1.00 0.00 C ATOM 193 CG LEU A 12 -1.929 -1.095 5.721 1.00 0.00 C ATOM 194 CD1 LEU A 12 -1.382 -2.397 5.159 1.00 0.00 C ATOM 195 CD2 LEU A 12 -2.869 -0.437 4.718 1.00 0.00 C ATOM 0 H LEU A 12 -3.827 0.778 7.540 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.474 -1.562 6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.225 -0.599 7.786 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.329 -2.314 7.439 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.097 -0.412 5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.902 -2.206 4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.652 -2.814 5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.199 -3.106 5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.347 -0.290 3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.736 -1.078 4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.197 0.528 5.105 1.00 0.00 H new ATOM 207 N SER A 13 -4.848 -1.606 9.329 1.00 0.00 N ATOM 208 CA SER A 13 -5.434 -2.359 10.420 1.00 0.00 C ATOM 209 C SER A 13 -6.933 -2.450 10.221 1.00 0.00 C ATOM 210 O SER A 13 -7.547 -3.489 10.457 1.00 0.00 O ATOM 211 CB SER A 13 -5.111 -1.704 11.762 1.00 0.00 C ATOM 212 OG SER A 13 -3.761 -1.932 12.131 1.00 0.00 O ATOM 0 H SER A 13 -4.544 -0.665 9.578 1.00 0.00 H new ATOM 0 HA SER A 13 -5.011 -3.364 10.426 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.298 -0.632 11.701 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.773 -2.100 12.532 1.00 0.00 H new ATOM 0 HG SER A 13 -3.580 -1.501 12.992 1.00 0.00 H new ATOM 218 N GLU A 14 -7.506 -1.356 9.750 1.00 0.00 N ATOM 219 CA GLU A 14 -8.928 -1.298 9.475 1.00 0.00 C ATOM 220 C GLU A 14 -9.239 -2.074 8.207 1.00 0.00 C ATOM 221 O GLU A 14 -10.338 -2.597 8.024 1.00 0.00 O ATOM 222 CB GLU A 14 -9.391 0.146 9.320 1.00 0.00 C ATOM 223 CG GLU A 14 -9.010 1.039 10.487 1.00 0.00 C ATOM 224 CD GLU A 14 -10.206 1.722 11.118 1.00 0.00 C ATOM 225 OE1 GLU A 14 -10.683 2.730 10.553 1.00 0.00 O ATOM 226 OE2 GLU A 14 -10.670 1.251 12.178 1.00 0.00 O ATOM 0 H GLU A 14 -7.003 -0.492 9.550 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.460 -1.744 10.315 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.966 0.558 8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.475 0.160 9.202 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.497 0.443 11.242 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.304 1.796 10.144 1.00 0.00 H new ATOM 233 N ALA A 15 -8.240 -2.149 7.342 1.00 0.00 N ATOM 234 CA ALA A 15 -8.352 -2.866 6.088 1.00 0.00 C ATOM 235 C ALA A 15 -8.211 -4.339 6.317 1.00 0.00 C ATOM 236 O ALA A 15 -9.042 -5.141 5.907 1.00 0.00 O ATOM 237 CB ALA A 15 -7.302 -2.404 5.122 1.00 0.00 C ATOM 0 H ALA A 15 -7.330 -1.714 7.492 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.336 -2.662 5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.402 -2.954 4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.426 -1.338 4.932 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.314 -2.584 5.545 1.00 0.00 H new ATOM 243 N TYR A 16 -7.140 -4.685 7.000 1.00 0.00 N ATOM 244 CA TYR A 16 -6.877 -6.058 7.325 1.00 0.00 C ATOM 245 C TYR A 16 -8.052 -6.591 8.126 1.00 0.00 C ATOM 246 O TYR A 16 -8.448 -7.748 7.993 1.00 0.00 O ATOM 247 CB TYR A 16 -5.588 -6.145 8.115 1.00 0.00 C ATOM 248 CG TYR A 16 -5.636 -7.214 9.138 1.00 0.00 C ATOM 249 CD1 TYR A 16 -5.560 -8.529 8.757 1.00 0.00 C ATOM 250 CD2 TYR A 16 -5.775 -6.902 10.466 1.00 0.00 C ATOM 251 CE1 TYR A 16 -5.614 -9.544 9.673 1.00 0.00 C ATOM 252 CE2 TYR A 16 -5.833 -7.905 11.419 1.00 0.00 C ATOM 253 CZ TYR A 16 -5.751 -9.232 11.015 1.00 0.00 C ATOM 254 OH TYR A 16 -5.807 -10.239 11.952 1.00 0.00 O ATOM 0 H TYR A 16 -6.439 -4.026 7.339 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.761 -6.659 6.423 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.757 -6.332 7.434 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.394 -5.188 8.599 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.455 -8.769 7.709 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.840 -5.868 10.771 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.551 -10.574 9.354 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.941 -7.659 12.465 1.00 0.00 H new ATOM 0 HH TYR A 16 -5.903 -9.849 12.846 1.00 0.00 H new ATOM 264 N LYS A 17 -8.631 -5.704 8.924 1.00 0.00 N ATOM 265 CA LYS A 17 -9.791 -6.042 9.710 1.00 0.00 C ATOM 266 C LYS A 17 -11.048 -5.819 8.871 1.00 0.00 C ATOM 267 O LYS A 17 -12.167 -5.861 9.384 1.00 0.00 O ATOM 268 CB LYS A 17 -9.838 -5.230 11.017 1.00 0.00 C ATOM 269 CG LYS A 17 -10.606 -3.920 10.923 1.00 0.00 C ATOM 270 CD LYS A 17 -10.301 -3.005 12.102 1.00 0.00 C ATOM 271 CE LYS A 17 -11.517 -2.189 12.518 1.00 0.00 C ATOM 272 NZ LYS A 17 -12.432 -1.915 11.375 1.00 0.00 N ATOM 0 H LYS A 17 -8.308 -4.743 9.038 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.735 -7.093 9.994 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.289 -5.845 11.795 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.817 -5.015 11.333 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.350 -3.413 9.993 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.676 -4.126 10.889 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.959 -3.603 12.947 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.486 -2.332 11.837 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.062 -2.724 13.296 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.187 -1.245 12.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.041 -1.104 11.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.872 -1.698 10.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.023 -2.752 11.195 1.00 0.00 H new ATOM 286 N ASP A 18 -10.856 -5.610 7.560 1.00 0.00 N ATOM 287 CA ASP A 18 -11.973 -5.420 6.658 1.00 0.00 C ATOM 288 C ASP A 18 -12.719 -6.743 6.537 1.00 0.00 C ATOM 289 O ASP A 18 -12.118 -7.765 6.215 1.00 0.00 O ATOM 290 CB ASP A 18 -11.519 -4.957 5.285 1.00 0.00 C ATOM 291 CG ASP A 18 -12.683 -4.626 4.372 1.00 0.00 C ATOM 292 OD1 ASP A 18 -13.221 -3.505 4.480 1.00 0.00 O ATOM 293 OD2 ASP A 18 -13.056 -5.489 3.550 1.00 0.00 O ATOM 0 H ASP A 18 -9.939 -5.571 7.115 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.622 -4.643 7.062 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.884 -4.078 5.393 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.910 -5.735 4.825 1.00 0.00 H new ATOM 298 N PRO A 19 -14.018 -6.757 6.829 1.00 0.00 N ATOM 299 CA PRO A 19 -14.835 -7.980 6.796 1.00 0.00 C ATOM 300 C PRO A 19 -14.654 -8.846 5.552 1.00 0.00 C ATOM 301 O PRO A 19 -14.894 -10.053 5.604 1.00 0.00 O ATOM 302 CB PRO A 19 -16.249 -7.429 6.886 1.00 0.00 C ATOM 303 CG PRO A 19 -16.080 -6.218 7.727 1.00 0.00 C ATOM 304 CD PRO A 19 -14.805 -5.590 7.259 1.00 0.00 C ATOM 0 HA PRO A 19 -14.555 -8.664 7.597 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.651 -7.185 5.903 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.933 -8.145 7.341 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -16.922 -5.536 7.608 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.026 -6.477 8.784 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.973 -4.890 6.441 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.308 -5.036 8.056 1.00 0.00 H new ATOM 312 N GLU A 20 -14.217 -8.262 4.442 1.00 0.00 N ATOM 313 CA GLU A 20 -14.008 -9.040 3.236 1.00 0.00 C ATOM 314 C GLU A 20 -12.528 -9.274 3.007 1.00 0.00 C ATOM 315 O GLU A 20 -12.088 -9.705 1.941 1.00 0.00 O ATOM 316 CB GLU A 20 -14.644 -8.349 2.061 1.00 0.00 C ATOM 317 CG GLU A 20 -16.148 -8.440 2.114 1.00 0.00 C ATOM 318 CD GLU A 20 -16.814 -8.006 0.823 1.00 0.00 C ATOM 319 OE1 GLU A 20 -16.689 -6.816 0.462 1.00 0.00 O ATOM 320 OE2 GLU A 20 -17.459 -8.853 0.172 1.00 0.00 O ATOM 0 H GLU A 20 -14.005 -7.268 4.356 1.00 0.00 H new ATOM 0 HA GLU A 20 -14.482 -10.014 3.353 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.342 -7.302 2.046 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.284 -8.797 1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.437 -9.467 2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.515 -7.820 2.932 1.00 0.00 H new ATOM 327 N VAL A 21 -11.799 -9.058 4.077 1.00 0.00 N ATOM 328 CA VAL A 21 -10.377 -9.300 4.142 1.00 0.00 C ATOM 329 C VAL A 21 -10.184 -10.378 5.191 1.00 0.00 C ATOM 330 O VAL A 21 -9.383 -11.295 5.032 1.00 0.00 O ATOM 331 CB VAL A 21 -9.576 -8.042 4.522 1.00 0.00 C ATOM 332 CG1 VAL A 21 -8.131 -8.390 4.872 1.00 0.00 C ATOM 333 CG2 VAL A 21 -9.625 -7.023 3.395 1.00 0.00 C ATOM 0 H VAL A 21 -12.189 -8.700 4.949 1.00 0.00 H new ATOM 0 HA VAL A 21 -10.007 -9.601 3.162 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.036 -7.604 5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.591 -7.480 5.136 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.117 -9.078 5.717 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.652 -8.860 4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.054 -6.139 3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.196 -7.458 2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.660 -6.740 3.205 1.00 0.00 H new ATOM 343 N LYS A 22 -10.999 -10.279 6.246 1.00 0.00 N ATOM 344 CA LYS A 22 -11.006 -11.257 7.309 1.00 0.00 C ATOM 345 C LYS A 22 -11.176 -12.629 6.690 1.00 0.00 C ATOM 346 O LYS A 22 -10.618 -13.623 7.155 1.00 0.00 O ATOM 347 CB LYS A 22 -12.189 -11.002 8.251 1.00 0.00 C ATOM 348 CG LYS A 22 -12.417 -9.549 8.590 1.00 0.00 C ATOM 349 CD LYS A 22 -11.180 -8.899 9.183 1.00 0.00 C ATOM 350 CE LYS A 22 -10.580 -9.730 10.309 1.00 0.00 C ATOM 351 NZ LYS A 22 -9.324 -10.414 9.892 1.00 0.00 N ATOM 0 H LYS A 22 -11.665 -9.518 6.376 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.074 -11.191 7.871 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.094 -11.402 7.794 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.027 -11.557 9.175 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.713 -9.010 7.690 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.243 -9.468 9.297 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.435 -8.758 8.400 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.437 -7.909 9.561 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.375 -9.086 11.165 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.306 -10.474 10.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.605 -10.304 10.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.513 -11.425 9.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.975 -9.991 9.008 1.00 0.00 H new ATOM 365 N ALA A 23 -11.965 -12.656 5.619 1.00 0.00 N ATOM 366 CA ALA A 23 -12.234 -13.883 4.900 1.00 0.00 C ATOM 367 C ALA A 23 -10.972 -14.388 4.233 1.00 0.00 C ATOM 368 O ALA A 23 -10.779 -15.594 4.075 1.00 0.00 O ATOM 369 CB ALA A 23 -13.336 -13.671 3.873 1.00 0.00 C ATOM 0 H ALA A 23 -12.428 -11.833 5.234 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.573 -14.635 5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.524 -14.605 3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.247 -13.351 4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.028 -12.905 3.161 1.00 0.00 H new ATOM 375 N ASN A 24 -10.111 -13.458 3.840 1.00 0.00 N ATOM 376 CA ASN A 24 -8.874 -13.812 3.192 1.00 0.00 C ATOM 377 C ASN A 24 -7.677 -13.609 4.117 1.00 0.00 C ATOM 378 O ASN A 24 -7.343 -12.487 4.484 1.00 0.00 O ATOM 379 CB ASN A 24 -8.711 -13.020 1.899 1.00 0.00 C ATOM 380 CG ASN A 24 -8.990 -11.540 2.066 1.00 0.00 C ATOM 381 OD1 ASN A 24 -8.137 -10.854 2.815 1.00 0.00 O flip ATOM 382 ND2 ASN A 24 -9.962 -11.018 1.518 1.00 0.00 N flip ATOM 0 H ASN A 24 -10.255 -12.456 3.963 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.912 -14.873 2.946 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.696 -13.152 1.525 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.384 -13.427 1.144 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.593 -11.584 0.950 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.136 -10.019 1.632 1.00 0.00 H new ATOM 389 N GLU A 25 -7.038 -14.710 4.496 1.00 0.00 N ATOM 390 CA GLU A 25 -5.885 -14.650 5.386 1.00 0.00 C ATOM 391 C GLU A 25 -4.649 -14.136 4.662 1.00 0.00 C ATOM 392 O GLU A 25 -3.778 -13.519 5.268 1.00 0.00 O ATOM 393 CB GLU A 25 -5.594 -16.028 5.983 1.00 0.00 C ATOM 394 CG GLU A 25 -4.494 -16.018 7.033 1.00 0.00 C ATOM 395 CD GLU A 25 -4.816 -15.114 8.207 1.00 0.00 C ATOM 396 OE1 GLU A 25 -6.017 -14.906 8.483 1.00 0.00 O ATOM 397 OE2 GLU A 25 -3.869 -14.615 8.850 1.00 0.00 O ATOM 0 H GLU A 25 -7.298 -15.652 4.202 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.129 -13.954 6.188 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.507 -16.421 6.430 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.312 -16.710 5.181 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.333 -17.034 7.395 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.561 -15.692 6.573 1.00 0.00 H new ATOM 404 N PHE A 26 -4.577 -14.393 3.366 1.00 0.00 N ATOM 405 CA PHE A 26 -3.438 -13.957 2.573 1.00 0.00 C ATOM 406 C PHE A 26 -3.465 -12.449 2.370 1.00 0.00 C ATOM 407 O PHE A 26 -2.454 -11.768 2.532 1.00 0.00 O ATOM 408 CB PHE A 26 -3.419 -14.674 1.222 1.00 0.00 C ATOM 409 CG PHE A 26 -4.492 -14.216 0.277 1.00 0.00 C ATOM 410 CD1 PHE A 26 -5.744 -14.808 0.288 1.00 0.00 C ATOM 411 CD2 PHE A 26 -4.247 -13.191 -0.622 1.00 0.00 C ATOM 412 CE1 PHE A 26 -6.733 -14.387 -0.580 1.00 0.00 C ATOM 413 CE2 PHE A 26 -5.231 -12.764 -1.493 1.00 0.00 C ATOM 414 CZ PHE A 26 -6.476 -13.363 -1.472 1.00 0.00 C ATOM 0 H PHE A 26 -5.291 -14.899 2.842 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.529 -14.214 3.117 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.446 -14.521 0.754 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.528 -15.746 1.389 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.950 -15.608 0.983 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.275 -12.720 -0.642 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.705 -14.857 -0.562 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.027 -11.964 -2.189 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.247 -13.032 -2.152 1.00 0.00 H new ATOM 424 N LEU A 27 -4.629 -11.931 2.013 1.00 0.00 N ATOM 425 CA LEU A 27 -4.783 -10.508 1.794 1.00 0.00 C ATOM 426 C LEU A 27 -4.708 -9.745 3.109 1.00 0.00 C ATOM 427 O LEU A 27 -4.197 -8.627 3.151 1.00 0.00 O ATOM 428 CB LEU A 27 -6.104 -10.227 1.087 1.00 0.00 C ATOM 429 CG LEU A 27 -5.967 -9.848 -0.379 1.00 0.00 C ATOM 430 CD1 LEU A 27 -7.187 -10.307 -1.160 1.00 0.00 C ATOM 431 CD2 LEU A 27 -5.762 -8.349 -0.519 1.00 0.00 C ATOM 0 H LEU A 27 -5.479 -12.477 1.870 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.965 -10.166 1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.737 -11.111 1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.618 -9.421 1.611 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.092 -10.350 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.074 -10.028 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.284 -11.390 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.080 -9.832 -0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.665 -8.092 -1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.617 -7.824 -0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.856 -8.055 0.011 1.00 0.00 H new ATOM 443 N SER A 28 -5.204 -10.349 4.188 1.00 0.00 N ATOM 444 CA SER A 28 -5.165 -9.709 5.480 1.00 0.00 C ATOM 445 C SER A 28 -3.765 -9.796 6.059 1.00 0.00 C ATOM 446 O SER A 28 -3.200 -8.792 6.479 1.00 0.00 O ATOM 447 CB SER A 28 -6.209 -10.334 6.406 1.00 0.00 C ATOM 448 OG SER A 28 -5.610 -11.206 7.350 1.00 0.00 O ATOM 0 H SER A 28 -5.633 -11.275 4.183 1.00 0.00 H new ATOM 0 HA SER A 28 -5.412 -8.653 5.374 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.751 -9.546 6.929 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.940 -10.884 5.813 1.00 0.00 H new ATOM 0 HG SER A 28 -5.048 -10.688 7.963 1.00 0.00 H new ATOM 454 N LYS A 29 -3.199 -10.992 6.047 1.00 0.00 N ATOM 455 CA LYS A 29 -1.842 -11.203 6.552 1.00 0.00 C ATOM 456 C LYS A 29 -0.871 -10.238 5.889 1.00 0.00 C ATOM 457 O LYS A 29 0.048 -9.731 6.531 1.00 0.00 O ATOM 458 CB LYS A 29 -1.399 -12.656 6.340 1.00 0.00 C ATOM 459 CG LYS A 29 -0.923 -12.978 4.932 1.00 0.00 C ATOM 460 CD LYS A 29 -0.703 -14.473 4.742 1.00 0.00 C ATOM 461 CE LYS A 29 0.044 -15.092 5.915 1.00 0.00 C ATOM 462 NZ LYS A 29 0.822 -16.295 5.507 1.00 0.00 N ATOM 0 H LYS A 29 -3.654 -11.834 5.694 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.842 -11.006 7.624 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.595 -12.882 7.041 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.232 -13.315 6.587 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.658 -12.623 4.209 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.006 -12.445 4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.666 -14.969 4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.141 -14.643 3.824 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.719 -14.353 6.346 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.667 -15.367 6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.316 -16.686 6.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.176 -17.011 5.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.519 -16.029 4.782 1.00 0.00 H new ATOM 476 N LEU A 30 -1.092 -9.968 4.608 1.00 0.00 N ATOM 477 CA LEU A 30 -0.242 -9.040 3.884 1.00 0.00 C ATOM 478 C LEU A 30 -0.503 -7.625 4.370 1.00 0.00 C ATOM 479 O LEU A 30 0.428 -6.862 4.631 1.00 0.00 O ATOM 480 CB LEU A 30 -0.477 -9.141 2.374 1.00 0.00 C ATOM 481 CG LEU A 30 0.459 -10.094 1.622 1.00 0.00 C ATOM 482 CD1 LEU A 30 0.636 -9.630 0.187 1.00 0.00 C ATOM 483 CD2 LEU A 30 1.810 -10.200 2.320 1.00 0.00 C ATOM 0 H LEU A 30 -1.846 -10.376 4.056 1.00 0.00 H new ATOM 0 HA LEU A 30 0.799 -9.299 4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.505 -9.461 2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.378 -8.146 1.941 1.00 0.00 H new ATOM 0 HG LEU A 30 0.006 -11.085 1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.303 -10.315 -0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.333 -9.614 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.065 -8.628 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.454 -10.882 1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.276 -9.215 2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.668 -10.578 3.332 1.00 0.00 H new ATOM 495 N VAL A 31 -1.779 -7.295 4.531 1.00 0.00 N ATOM 496 CA VAL A 31 -2.167 -5.988 5.034 1.00 0.00 C ATOM 497 C VAL A 31 -1.587 -5.813 6.428 1.00 0.00 C ATOM 498 O VAL A 31 -1.121 -4.739 6.795 1.00 0.00 O ATOM 499 CB VAL A 31 -3.701 -5.845 5.088 1.00 0.00 C ATOM 500 CG1 VAL A 31 -4.101 -4.522 5.718 1.00 0.00 C ATOM 501 CG2 VAL A 31 -4.299 -5.980 3.696 1.00 0.00 C ATOM 0 H VAL A 31 -2.560 -7.916 4.320 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.783 -5.221 4.362 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.095 -6.648 5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.188 -4.445 5.744 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.709 -4.469 6.734 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.694 -3.700 5.129 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.383 -5.876 3.754 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.894 -5.202 3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.050 -6.959 3.286 1.00 0.00 H new ATOM 511 N VAL A 32 -1.597 -6.906 7.182 1.00 0.00 N ATOM 512 CA VAL A 32 -1.054 -6.923 8.527 1.00 0.00 C ATOM 513 C VAL A 32 0.421 -6.595 8.489 1.00 0.00 C ATOM 514 O VAL A 32 0.845 -5.521 8.914 1.00 0.00 O ATOM 515 CB VAL A 32 -1.255 -8.293 9.184 1.00 0.00 C ATOM 516 CG1 VAL A 32 -0.850 -8.250 10.647 1.00 0.00 C ATOM 517 CG2 VAL A 32 -2.699 -8.747 9.023 1.00 0.00 C ATOM 0 H VAL A 32 -1.981 -7.800 6.876 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.583 -6.174 9.116 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.614 -9.019 8.685 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.000 -9.232 11.095 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.201 -7.972 10.726 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.460 -7.515 11.172 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.829 -9.721 9.494 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.363 -8.024 9.497 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.941 -8.821 7.963 1.00 0.00 H new ATOM 527 N GLN A 33 1.197 -7.523 7.944 1.00 0.00 N ATOM 528 CA GLN A 33 2.629 -7.335 7.803 1.00 0.00 C ATOM 529 C GLN A 33 2.899 -5.950 7.261 1.00 0.00 C ATOM 530 O GLN A 33 3.634 -5.164 7.853 1.00 0.00 O ATOM 531 CB GLN A 33 3.212 -8.387 6.863 1.00 0.00 C ATOM 532 CG GLN A 33 4.442 -9.066 7.422 1.00 0.00 C ATOM 533 CD GLN A 33 4.948 -10.187 6.536 1.00 0.00 C ATOM 534 OE1 GLN A 33 4.166 -10.984 6.017 1.00 0.00 O ATOM 535 NE2 GLN A 33 6.261 -10.252 6.356 1.00 0.00 N ATOM 0 H GLN A 33 0.853 -8.416 7.592 1.00 0.00 H new ATOM 0 HA GLN A 33 3.103 -7.443 8.779 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.452 -9.140 6.654 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.464 -7.917 5.913 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.232 -8.327 7.552 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.214 -9.465 8.410 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.872 -9.570 6.806 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.660 -10.984 5.768 1.00 0.00 H new ATOM 544 N CYS A 34 2.254 -5.653 6.144 1.00 0.00 N ATOM 545 CA CYS A 34 2.378 -4.351 5.510 1.00 0.00 C ATOM 546 C CYS A 34 2.114 -3.268 6.547 1.00 0.00 C ATOM 547 O CYS A 34 2.873 -2.301 6.666 1.00 0.00 O ATOM 548 CB CYS A 34 1.381 -4.222 4.356 1.00 0.00 C ATOM 549 SG CYS A 34 1.885 -5.073 2.844 1.00 0.00 S ATOM 0 H CYS A 34 1.636 -6.301 5.656 1.00 0.00 H new ATOM 0 HA CYS A 34 3.385 -4.240 5.108 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.417 -4.616 4.678 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.235 -3.165 4.133 1.00 0.00 H new ATOM 0 HG CYS A 34 1.466 -6.303 2.878 1.00 0.00 H new ATOM 555 N ALA A 35 1.050 -3.461 7.331 1.00 0.00 N ATOM 556 CA ALA A 35 0.708 -2.517 8.385 1.00 0.00 C ATOM 557 C ALA A 35 1.839 -2.440 9.398 1.00 0.00 C ATOM 558 O ALA A 35 2.121 -1.384 9.962 1.00 0.00 O ATOM 559 CB ALA A 35 -0.592 -2.915 9.069 1.00 0.00 C ATOM 0 H ALA A 35 0.418 -4.258 7.253 1.00 0.00 H new ATOM 0 HA ALA A 35 0.565 -1.534 7.937 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.826 -2.194 9.853 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.399 -2.930 8.336 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.483 -3.906 9.509 1.00 0.00 H new ATOM 565 N GLY A 36 2.495 -3.573 9.601 1.00 0.00 N ATOM 566 CA GLY A 36 3.612 -3.636 10.522 1.00 0.00 C ATOM 567 C GLY A 36 4.906 -3.199 9.871 1.00 0.00 C ATOM 568 O GLY A 36 5.897 -2.933 10.549 1.00 0.00 O ATOM 0 H GLY A 36 2.272 -4.456 9.141 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.407 -3.002 11.385 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.719 -4.655 10.894 1.00 0.00 H new ATOM 572 N LYS A 37 4.890 -3.110 8.547 1.00 0.00 N ATOM 573 CA LYS A 37 6.058 -2.683 7.801 1.00 0.00 C ATOM 574 C LYS A 37 6.166 -1.167 7.830 1.00 0.00 C ATOM 575 O LYS A 37 7.233 -0.603 7.585 1.00 0.00 O ATOM 576 CB LYS A 37 5.997 -3.181 6.354 1.00 0.00 C ATOM 577 CG LYS A 37 5.781 -4.683 6.197 1.00 0.00 C ATOM 578 CD LYS A 37 6.383 -5.502 7.335 1.00 0.00 C ATOM 579 CE LYS A 37 7.367 -6.518 6.807 1.00 0.00 C ATOM 580 NZ LYS A 37 7.801 -7.478 7.861 1.00 0.00 N ATOM 0 H LYS A 37 4.078 -3.329 7.970 1.00 0.00 H new ATOM 0 HA LYS A 37 6.942 -3.114 8.271 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.191 -2.658 5.839 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.926 -2.908 5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.711 -4.885 6.140 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.218 -5.009 5.253 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.883 -4.839 8.041 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.589 -6.010 7.882 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.913 -7.067 5.982 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.239 -6.003 6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.218 -8.319 7.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.508 -7.024 8.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.979 -7.761 8.432 1.00 0.00 H new ATOM 594 N LEU A 38 5.049 -0.506 8.131 1.00 0.00 N ATOM 595 CA LEU A 38 5.026 0.948 8.189 1.00 0.00 C ATOM 596 C LEU A 38 5.554 1.457 9.519 1.00 0.00 C ATOM 597 O LEU A 38 6.091 2.560 9.590 1.00 0.00 O ATOM 598 CB LEU A 38 3.607 1.453 7.963 1.00 0.00 C ATOM 599 CG LEU A 38 3.169 1.492 6.505 1.00 0.00 C ATOM 600 CD1 LEU A 38 2.050 0.491 6.268 1.00 0.00 C ATOM 601 CD2 LEU A 38 2.742 2.900 6.126 1.00 0.00 C ATOM 0 H LEU A 38 4.156 -0.954 8.337 1.00 0.00 H new ATOM 0 HA LEU A 38 5.677 1.329 7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.917 0.818 8.518 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.522 2.456 8.380 1.00 0.00 H new ATOM 0 HG LEU A 38 4.009 1.213 5.869 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.745 0.527 5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.402 -0.512 6.508 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.200 0.739 6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.431 2.917 5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.910 3.210 6.758 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.579 3.584 6.266 1.00 0.00 H new ATOM 613 N THR A 39 5.409 0.648 10.571 1.00 0.00 N ATOM 614 CA THR A 39 5.880 1.020 11.899 1.00 0.00 C ATOM 615 C THR A 39 7.265 1.577 11.806 1.00 0.00 C ATOM 616 O THR A 39 7.557 2.673 12.285 1.00 0.00 O ATOM 617 CB THR A 39 5.873 -0.188 12.821 1.00 0.00 C ATOM 618 OG1 THR A 39 7.024 -0.992 12.621 1.00 0.00 O ATOM 619 CG2 THR A 39 4.666 -1.071 12.655 1.00 0.00 C ATOM 0 H THR A 39 4.968 -0.270 10.524 1.00 0.00 H new ATOM 0 HA THR A 39 5.212 1.777 12.309 1.00 0.00 H new ATOM 0 HB THR A 39 5.857 0.233 13.826 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.830 -1.680 11.950 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.732 -1.911 13.346 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.764 -0.497 12.867 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.627 -1.445 11.632 1.00 0.00 H new ATOM 627 N ALA A 40 8.107 0.817 11.157 1.00 0.00 N ATOM 628 CA ALA A 40 9.475 1.226 10.956 1.00 0.00 C ATOM 629 C ALA A 40 9.558 2.360 9.936 1.00 0.00 C ATOM 630 O ALA A 40 10.569 2.504 9.251 1.00 0.00 O ATOM 631 CB ALA A 40 10.347 0.068 10.499 1.00 0.00 C ATOM 0 H ALA A 40 7.870 -0.091 10.757 1.00 0.00 H new ATOM 0 HA ALA A 40 9.847 1.578 11.918 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.370 0.416 10.358 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.332 -0.719 11.253 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.965 -0.325 9.557 1.00 0.00 H new ATOM 637 N SER A 41 8.495 3.165 9.824 1.00 0.00 N ATOM 638 CA SER A 41 8.479 4.269 8.876 1.00 0.00 C ATOM 639 C SER A 41 9.731 5.121 9.029 1.00 0.00 C ATOM 640 O SER A 41 10.160 5.776 8.079 1.00 0.00 O ATOM 641 CB SER A 41 7.215 5.110 9.056 1.00 0.00 C ATOM 642 OG SER A 41 6.975 5.385 10.424 1.00 0.00 O ATOM 0 H SER A 41 7.643 3.068 10.377 1.00 0.00 H new ATOM 0 HA SER A 41 8.471 3.861 7.865 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.316 6.046 8.506 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.360 4.582 8.633 1.00 0.00 H new ATOM 0 HG SER A 41 7.135 6.336 10.599 1.00 0.00 H new ATOM 648 N ASN A 42 10.354 5.064 10.210 1.00 0.00 N ATOM 649 CA ASN A 42 11.599 5.785 10.438 1.00 0.00 C ATOM 650 C ASN A 42 12.555 5.449 9.299 1.00 0.00 C ATOM 651 O ASN A 42 13.361 6.272 8.867 1.00 0.00 O ATOM 652 CB ASN A 42 12.206 5.381 11.780 1.00 0.00 C ATOM 653 CG ASN A 42 12.950 6.520 12.449 1.00 0.00 C ATOM 654 OD1 ASN A 42 12.721 7.690 12.142 1.00 0.00 O ATOM 655 ND2 ASN A 42 13.848 6.183 13.366 1.00 0.00 N ATOM 0 H ASN A 42 10.017 4.531 11.012 1.00 0.00 H new ATOM 0 HA ASN A 42 11.413 6.859 10.465 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.414 5.030 12.442 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.889 4.545 11.629 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.381 6.907 13.848 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.005 5.200 13.589 1.00 0.00 H new ATOM 662 N SER A 43 12.389 4.231 8.783 1.00 0.00 N ATOM 663 CA SER A 43 13.138 3.743 7.662 1.00 0.00 C ATOM 664 C SER A 43 12.227 3.839 6.452 1.00 0.00 C ATOM 665 O SER A 43 11.788 2.829 5.902 1.00 0.00 O ATOM 666 CB SER A 43 13.584 2.297 7.892 1.00 0.00 C ATOM 667 OG SER A 43 14.824 2.039 7.256 1.00 0.00 O ATOM 0 H SER A 43 11.716 3.558 9.149 1.00 0.00 H new ATOM 0 HA SER A 43 14.043 4.332 7.515 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.674 2.106 8.961 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.826 1.614 7.509 1.00 0.00 H new ATOM 0 HG SER A 43 15.088 1.109 7.419 1.00 0.00 H new ATOM 673 N GLU A 44 11.912 5.072 6.075 1.00 0.00 N ATOM 674 CA GLU A 44 11.006 5.327 4.967 1.00 0.00 C ATOM 675 C GLU A 44 11.501 4.661 3.703 1.00 0.00 C ATOM 676 O GLU A 44 10.727 4.346 2.808 1.00 0.00 O ATOM 677 CB GLU A 44 10.872 6.829 4.747 1.00 0.00 C ATOM 678 CG GLU A 44 12.072 7.461 4.064 1.00 0.00 C ATOM 679 CD GLU A 44 12.541 8.724 4.761 1.00 0.00 C ATOM 680 OE1 GLU A 44 11.723 9.653 4.923 1.00 0.00 O ATOM 681 OE2 GLU A 44 13.728 8.783 5.146 1.00 0.00 O ATOM 0 H GLU A 44 12.274 5.913 6.524 1.00 0.00 H new ATOM 0 HA GLU A 44 10.030 4.909 5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.982 7.020 4.147 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.717 7.315 5.710 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.890 6.741 4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.816 7.694 3.030 1.00 0.00 H new ATOM 688 N ASN A 45 12.790 4.416 3.650 1.00 0.00 N ATOM 689 CA ASN A 45 13.367 3.742 2.500 1.00 0.00 C ATOM 690 C ASN A 45 12.788 2.337 2.406 1.00 0.00 C ATOM 691 O ASN A 45 12.584 1.788 1.321 1.00 0.00 O ATOM 692 CB ASN A 45 14.893 3.689 2.606 1.00 0.00 C ATOM 693 CG ASN A 45 15.574 3.971 1.282 1.00 0.00 C ATOM 694 OD1 ASN A 45 15.410 3.227 0.315 1.00 0.00 O ATOM 695 ND2 ASN A 45 16.348 5.049 1.232 1.00 0.00 N ATOM 0 H ASN A 45 13.457 4.669 4.379 1.00 0.00 H new ATOM 0 HA ASN A 45 13.119 4.300 1.597 1.00 0.00 H new ATOM 0 HB2 ASN A 45 15.229 4.415 3.346 1.00 0.00 H new ATOM 0 HB3 ASN A 45 15.196 2.705 2.965 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.835 5.288 0.368 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.456 5.638 2.058 1.00 0.00 H new ATOM 702 N SER A 46 12.505 1.783 3.571 1.00 0.00 N ATOM 703 CA SER A 46 11.929 0.460 3.686 1.00 0.00 C ATOM 704 C SER A 46 10.427 0.505 3.464 1.00 0.00 C ATOM 705 O SER A 46 9.843 -0.394 2.860 1.00 0.00 O ATOM 706 CB SER A 46 12.248 -0.120 5.056 1.00 0.00 C ATOM 707 OG SER A 46 11.448 -1.258 5.332 1.00 0.00 O ATOM 0 H SER A 46 12.670 2.242 4.467 1.00 0.00 H new ATOM 0 HA SER A 46 12.363 -0.180 2.918 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.302 -0.394 5.101 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.083 0.638 5.822 1.00 0.00 H new ATOM 0 HG SER A 46 11.675 -1.611 6.218 1.00 0.00 H new ATOM 713 N TYR A 47 9.819 1.586 3.931 1.00 0.00 N ATOM 714 CA TYR A 47 8.407 1.802 3.767 1.00 0.00 C ATOM 715 C TYR A 47 8.179 2.387 2.389 1.00 0.00 C ATOM 716 O TYR A 47 7.052 2.530 1.950 1.00 0.00 O ATOM 717 CB TYR A 47 7.841 2.631 4.944 1.00 0.00 C ATOM 718 CG TYR A 47 7.313 4.016 4.636 1.00 0.00 C ATOM 719 CD1 TYR A 47 7.989 4.863 3.787 1.00 0.00 C ATOM 720 CD2 TYR A 47 6.149 4.480 5.241 1.00 0.00 C ATOM 721 CE1 TYR A 47 7.527 6.142 3.531 1.00 0.00 C ATOM 722 CE2 TYR A 47 5.680 5.757 5.002 1.00 0.00 C ATOM 723 CZ TYR A 47 6.373 6.585 4.145 1.00 0.00 C ATOM 724 OH TYR A 47 5.921 7.863 3.914 1.00 0.00 O ATOM 0 H TYR A 47 10.300 2.333 4.433 1.00 0.00 H new ATOM 0 HA TYR A 47 7.844 0.869 3.809 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.034 2.058 5.401 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.626 2.730 5.693 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.897 4.523 3.312 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.603 3.830 5.909 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.066 6.789 2.855 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.777 6.104 5.483 1.00 0.00 H new ATOM 0 HH TYR A 47 4.991 7.940 4.214 1.00 0.00 H new ATOM 734 N ILE A 48 9.307 2.677 1.716 1.00 0.00 N ATOM 735 CA ILE A 48 9.340 3.206 0.362 1.00 0.00 C ATOM 736 C ILE A 48 9.215 2.056 -0.611 1.00 0.00 C ATOM 737 O ILE A 48 8.510 2.139 -1.613 1.00 0.00 O ATOM 738 CB ILE A 48 10.679 3.968 0.116 1.00 0.00 C ATOM 739 CG1 ILE A 48 10.542 5.470 0.372 1.00 0.00 C ATOM 740 CG2 ILE A 48 11.238 3.738 -1.283 1.00 0.00 C ATOM 741 CD1 ILE A 48 9.162 5.904 0.780 1.00 0.00 C ATOM 0 H ILE A 48 10.235 2.543 2.117 1.00 0.00 H new ATOM 0 HA ILE A 48 8.515 3.904 0.220 1.00 0.00 H new ATOM 0 HB ILE A 48 11.384 3.552 0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.247 5.760 1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.827 6.008 -0.532 1.00 0.00 H new ATOM 0 HG21 ILE A 48 12.170 4.292 -1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.428 2.675 -1.429 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.517 4.083 -2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.152 6.982 0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.453 5.649 -0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 48 8.879 5.396 1.702 1.00 0.00 H new ATOM 753 N GLU A 49 9.880 0.962 -0.287 1.00 0.00 N ATOM 754 CA GLU A 49 9.813 -0.211 -1.115 1.00 0.00 C ATOM 755 C GLU A 49 8.417 -0.743 -1.025 1.00 0.00 C ATOM 756 O GLU A 49 7.688 -0.756 -2.012 1.00 0.00 O ATOM 757 CB GLU A 49 10.843 -1.256 -0.677 1.00 0.00 C ATOM 758 CG GLU A 49 12.077 -0.649 -0.024 1.00 0.00 C ATOM 759 CD GLU A 49 13.351 -1.391 -0.375 1.00 0.00 C ATOM 760 OE1 GLU A 49 13.497 -1.798 -1.548 1.00 0.00 O ATOM 761 OE2 GLU A 49 14.204 -1.566 0.521 1.00 0.00 O ATOM 0 H GLU A 49 10.468 0.869 0.541 1.00 0.00 H new ATOM 0 HA GLU A 49 10.052 0.038 -2.149 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.374 -1.948 0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.150 -1.840 -1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.171 0.392 -0.333 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.948 -0.650 1.058 1.00 0.00 H new ATOM 768 N VAL A 50 8.016 -1.114 0.181 1.00 0.00 N ATOM 769 CA VAL A 50 6.668 -1.576 0.381 1.00 0.00 C ATOM 770 C VAL A 50 5.702 -0.506 -0.110 1.00 0.00 C ATOM 771 O VAL A 50 4.578 -0.803 -0.506 1.00 0.00 O ATOM 772 CB VAL A 50 6.375 -1.919 1.858 1.00 0.00 C ATOM 773 CG1 VAL A 50 6.375 -0.665 2.715 1.00 0.00 C ATOM 774 CG2 VAL A 50 5.049 -2.655 1.982 1.00 0.00 C ATOM 0 H VAL A 50 8.599 -1.102 1.018 1.00 0.00 H new ATOM 0 HA VAL A 50 6.538 -2.497 -0.188 1.00 0.00 H new ATOM 0 HB VAL A 50 7.167 -2.575 2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.166 -0.932 3.751 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.351 -0.183 2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.608 0.021 2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.859 -2.889 3.030 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.246 -2.025 1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.091 -3.579 1.406 1.00 0.00 H new ATOM 784 N ILE A 51 6.174 0.745 -0.118 1.00 0.00 N ATOM 785 CA ILE A 51 5.380 1.854 -0.598 1.00 0.00 C ATOM 786 C ILE A 51 5.278 1.771 -2.113 1.00 0.00 C ATOM 787 O ILE A 51 4.223 2.033 -2.700 1.00 0.00 O ATOM 788 CB ILE A 51 5.979 3.212 -0.126 1.00 0.00 C ATOM 789 CG1 ILE A 51 5.014 3.889 0.847 1.00 0.00 C ATOM 790 CG2 ILE A 51 6.306 4.158 -1.278 1.00 0.00 C ATOM 791 CD1 ILE A 51 3.568 3.893 0.380 1.00 0.00 C ATOM 0 H ILE A 51 7.106 1.004 0.206 1.00 0.00 H new ATOM 0 HA ILE A 51 4.375 1.796 -0.179 1.00 0.00 H new ATOM 0 HB ILE A 51 6.923 2.987 0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.072 3.384 1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.337 4.918 1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.719 5.085 -0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.035 3.689 -1.938 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.397 4.377 -1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.947 4.391 1.124 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.494 4.424 -0.569 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.225 2.867 0.249 1.00 0.00 H new ATOM 803 N SER A 52 6.381 1.365 -2.739 1.00 0.00 N ATOM 804 CA SER A 52 6.417 1.211 -4.174 1.00 0.00 C ATOM 805 C SER A 52 5.620 -0.018 -4.581 1.00 0.00 C ATOM 806 O SER A 52 5.076 -0.088 -5.683 1.00 0.00 O ATOM 807 CB SER A 52 7.854 1.114 -4.675 1.00 0.00 C ATOM 808 OG SER A 52 7.928 1.375 -6.064 1.00 0.00 O ATOM 0 H SER A 52 7.256 1.139 -2.267 1.00 0.00 H new ATOM 0 HA SER A 52 5.965 2.091 -4.631 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.480 1.824 -4.135 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.249 0.119 -4.467 1.00 0.00 H new ATOM 0 HG SER A 52 8.797 1.775 -6.276 1.00 0.00 H new ATOM 814 N LEU A 53 5.555 -0.984 -3.669 1.00 0.00 N ATOM 815 CA LEU A 53 4.829 -2.213 -3.908 1.00 0.00 C ATOM 816 C LEU A 53 3.406 -2.120 -3.373 1.00 0.00 C ATOM 817 O LEU A 53 2.575 -2.962 -3.678 1.00 0.00 O ATOM 818 CB LEU A 53 5.545 -3.407 -3.276 1.00 0.00 C ATOM 819 CG LEU A 53 7.025 -3.185 -3.003 1.00 0.00 C ATOM 820 CD1 LEU A 53 7.642 -4.404 -2.335 1.00 0.00 C ATOM 821 CD2 LEU A 53 7.759 -2.839 -4.287 1.00 0.00 C ATOM 0 H LEU A 53 6.002 -0.932 -2.754 1.00 0.00 H new ATOM 0 HA LEU A 53 4.788 -2.363 -4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.049 -3.656 -2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.435 -4.269 -3.934 1.00 0.00 H new ATOM 0 HG LEU A 53 7.123 -2.343 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.700 -4.221 -2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.136 -4.595 -1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.532 -5.271 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.816 -2.684 -4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.650 -3.656 -5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.338 -1.928 -4.713 1.00 0.00 H new ATOM 833 N LEU A 54 3.133 -1.103 -2.560 1.00 0.00 N ATOM 834 CA LEU A 54 1.809 -0.931 -1.985 1.00 0.00 C ATOM 835 C LEU A 54 0.826 -0.363 -2.999 1.00 0.00 C ATOM 836 O LEU A 54 -0.311 -0.824 -3.095 1.00 0.00 O ATOM 837 CB LEU A 54 1.877 -0.037 -0.746 1.00 0.00 C ATOM 838 CG LEU A 54 2.125 -0.764 0.588 1.00 0.00 C ATOM 839 CD1 LEU A 54 1.009 -0.458 1.576 1.00 0.00 C ATOM 840 CD2 LEU A 54 2.262 -2.273 0.392 1.00 0.00 C ATOM 0 H LEU A 54 3.810 -0.390 -2.288 1.00 0.00 H new ATOM 0 HA LEU A 54 1.446 -1.916 -1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.670 0.696 -0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.942 0.517 -0.668 1.00 0.00 H new ATOM 0 HG LEU A 54 3.068 -0.396 0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.200 -0.980 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.970 0.616 1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.056 -0.790 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.436 -2.751 1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.346 -2.667 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.102 -2.479 -0.272 1.00 0.00 H new ATOM 852 N SER A 55 1.261 0.637 -3.757 1.00 0.00 N ATOM 853 CA SER A 55 0.397 1.253 -4.762 1.00 0.00 C ATOM 854 C SER A 55 -0.257 0.200 -5.662 1.00 0.00 C ATOM 855 O SER A 55 -1.323 0.436 -6.228 1.00 0.00 O ATOM 856 CB SER A 55 1.187 2.241 -5.614 1.00 0.00 C ATOM 857 OG SER A 55 2.565 1.909 -5.639 1.00 0.00 O ATOM 0 H SER A 55 2.197 1.037 -3.698 1.00 0.00 H new ATOM 0 HA SER A 55 -0.392 1.786 -4.232 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.793 2.245 -6.630 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.060 3.249 -5.219 1.00 0.00 H new ATOM 0 HG SER A 55 3.048 2.557 -6.193 1.00 0.00 H new ATOM 863 N ARG A 56 0.389 -0.956 -5.794 1.00 0.00 N ATOM 864 CA ARG A 56 -0.140 -2.032 -6.633 1.00 0.00 C ATOM 865 C ARG A 56 -0.259 -3.340 -5.852 1.00 0.00 C ATOM 866 O ARG A 56 -1.229 -4.081 -6.010 1.00 0.00 O ATOM 867 CB ARG A 56 0.747 -2.238 -7.866 1.00 0.00 C ATOM 868 CG ARG A 56 2.236 -2.085 -7.591 1.00 0.00 C ATOM 869 CD ARG A 56 3.013 -1.789 -8.864 1.00 0.00 C ATOM 870 NE ARG A 56 3.853 -0.601 -8.726 1.00 0.00 N ATOM 871 CZ ARG A 56 3.395 0.646 -8.812 1.00 0.00 C ATOM 872 NH1 ARG A 56 2.109 0.874 -9.046 1.00 0.00 N ATOM 873 NH2 ARG A 56 4.226 1.669 -8.665 1.00 0.00 N ATOM 0 H ARG A 56 1.274 -1.172 -5.335 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.138 -1.737 -6.957 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.563 -3.233 -8.271 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.455 -1.523 -8.635 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.393 -1.280 -6.873 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.618 -2.998 -7.135 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.636 -2.647 -9.117 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.316 -1.647 -9.690 1.00 0.00 H new ATOM 0 HE ARG A 56 4.849 -0.735 -8.554 1.00 0.00 H new ATOM 0 HH11 ARG A 56 1.465 0.091 -9.161 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.764 1.832 -9.111 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.216 1.500 -8.486 1.00 0.00 H new ATOM 0 HH22 ARG A 56 3.875 2.625 -8.731 1.00 0.00 H new ATOM 887 N GLY A 57 0.732 -3.614 -5.009 1.00 0.00 N ATOM 888 CA GLY A 57 0.728 -4.831 -4.209 1.00 0.00 C ATOM 889 C GLY A 57 -0.585 -5.060 -3.493 1.00 0.00 C ATOM 890 O GLY A 57 -0.933 -6.194 -3.164 1.00 0.00 O ATOM 0 H GLY A 57 1.543 -3.013 -4.864 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.938 -5.684 -4.854 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.532 -4.780 -3.475 1.00 0.00 H new ATOM 894 N ILE A 58 -1.309 -3.980 -3.238 1.00 0.00 N ATOM 895 CA ILE A 58 -2.579 -4.064 -2.540 1.00 0.00 C ATOM 896 C ILE A 58 -3.555 -5.015 -3.232 1.00 0.00 C ATOM 897 O ILE A 58 -4.442 -5.579 -2.591 1.00 0.00 O ATOM 898 CB ILE A 58 -3.216 -2.665 -2.399 1.00 0.00 C ATOM 899 CG1 ILE A 58 -4.310 -2.680 -1.339 1.00 0.00 C ATOM 900 CG2 ILE A 58 -3.774 -2.176 -3.729 1.00 0.00 C ATOM 901 CD1 ILE A 58 -4.806 -1.303 -0.966 1.00 0.00 C ATOM 0 H ILE A 58 -1.036 -3.034 -3.506 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.371 -4.466 -1.549 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.434 -1.973 -2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.149 -3.274 -1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.932 -3.176 -0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.216 -1.188 -3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.969 -2.119 -4.462 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.537 -2.871 -4.081 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.583 -1.390 -0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.979 -0.713 -0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.214 -0.812 -1.849 1.00 0.00 H new ATOM 1109 N PRO A 70 -12.366 -6.068 -1.487 1.00 0.00 N ATOM 1110 CA PRO A 70 -13.028 -5.059 -0.654 1.00 0.00 C ATOM 1111 C PRO A 70 -12.504 -3.651 -0.923 1.00 0.00 C ATOM 1112 O PRO A 70 -11.476 -3.475 -1.575 1.00 0.00 O ATOM 1113 CB PRO A 70 -12.685 -5.477 0.786 1.00 0.00 C ATOM 1114 CG PRO A 70 -12.047 -6.823 0.685 1.00 0.00 C ATOM 1115 CD PRO A 70 -11.458 -6.909 -0.694 1.00 0.00 C ATOM 0 HA PRO A 70 -14.098 -5.020 -0.856 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.009 -4.759 1.250 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.582 -5.516 1.405 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.276 -6.946 1.445 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -12.780 -7.614 0.844 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.434 -6.536 -0.721 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -11.433 -7.935 -1.060 1.00 0.00 H new ATOM 1123 N SER A 71 -13.210 -2.651 -0.402 1.00 0.00 N ATOM 1124 CA SER A 71 -12.807 -1.262 -0.575 1.00 0.00 C ATOM 1125 C SER A 71 -11.490 -1.000 0.148 1.00 0.00 C ATOM 1126 O SER A 71 -10.606 -0.323 -0.377 1.00 0.00 O ATOM 1127 CB SER A 71 -13.891 -0.320 -0.047 1.00 0.00 C ATOM 1128 OG SER A 71 -14.574 -0.893 1.054 1.00 0.00 O ATOM 0 H SER A 71 -14.063 -2.778 0.143 1.00 0.00 H new ATOM 0 HA SER A 71 -12.669 -1.073 -1.640 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.440 0.626 0.253 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.601 -0.096 -0.843 1.00 0.00 H new ATOM 0 HG SER A 71 -15.260 -0.270 1.373 1.00 0.00 H new ATOM 1134 N SER A 72 -11.363 -1.551 1.356 1.00 0.00 N ATOM 1135 CA SER A 72 -10.150 -1.395 2.157 1.00 0.00 C ATOM 1136 C SER A 72 -8.928 -2.036 1.496 1.00 0.00 C ATOM 1137 O SER A 72 -7.923 -2.295 2.158 1.00 0.00 O ATOM 1138 CB SER A 72 -10.360 -1.991 3.548 1.00 0.00 C ATOM 1139 OG SER A 72 -10.019 -3.366 3.569 1.00 0.00 O ATOM 0 H SER A 72 -12.089 -2.111 1.802 1.00 0.00 H new ATOM 0 HA SER A 72 -9.953 -0.326 2.238 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.752 -1.451 4.274 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.401 -1.866 3.847 1.00 0.00 H new ATOM 0 HG SER A 72 -10.465 -3.825 2.827 1.00 0.00 H new ATOM 1145 N MET A 73 -9.009 -2.273 0.195 1.00 0.00 N ATOM 1146 CA MET A 73 -7.910 -2.860 -0.550 1.00 0.00 C ATOM 1147 C MET A 73 -7.752 -2.116 -1.865 1.00 0.00 C ATOM 1148 O MET A 73 -7.450 -2.699 -2.907 1.00 0.00 O ATOM 1149 CB MET A 73 -8.162 -4.350 -0.785 1.00 0.00 C ATOM 1150 CG MET A 73 -8.319 -5.145 0.504 1.00 0.00 C ATOM 1151 SD MET A 73 -6.764 -5.836 1.109 1.00 0.00 S ATOM 1152 CE MET A 73 -5.592 -4.582 0.599 1.00 0.00 C ATOM 0 H MET A 73 -9.833 -2.065 -0.369 1.00 0.00 H new ATOM 0 HA MET A 73 -6.986 -2.769 0.022 1.00 0.00 H new ATOM 0 HB2 MET A 73 -9.062 -4.468 -1.389 1.00 0.00 H new ATOM 0 HB3 MET A 73 -7.335 -4.765 -1.361 1.00 0.00 H new ATOM 0 HG2 MET A 73 -8.745 -4.499 1.272 1.00 0.00 H new ATOM 0 HG3 MET A 73 -9.029 -5.955 0.339 1.00 0.00 H new ATOM 0 HE1 MET A 73 -4.599 -4.840 0.968 1.00 0.00 H new ATOM 0 HE2 MET A 73 -5.571 -4.525 -0.489 1.00 0.00 H new ATOM 0 HE3 MET A 73 -5.891 -3.617 1.008 1.00 0.00 H new ATOM 1162 N LEU A 74 -7.978 -0.810 -1.788 1.00 0.00 N ATOM 1163 CA LEU A 74 -7.891 0.076 -2.937 1.00 0.00 C ATOM 1164 C LEU A 74 -7.741 1.521 -2.470 1.00 0.00 C ATOM 1165 O LEU A 74 -7.037 2.312 -3.090 1.00 0.00 O ATOM 1166 CB LEU A 74 -9.140 -0.081 -3.810 1.00 0.00 C ATOM 1167 CG LEU A 74 -9.302 0.958 -4.926 1.00 0.00 C ATOM 1168 CD1 LEU A 74 -9.040 0.329 -6.289 1.00 0.00 C ATOM 1169 CD2 LEU A 74 -10.694 1.574 -4.882 1.00 0.00 C ATOM 0 H LEU A 74 -8.228 -0.335 -0.920 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.016 -0.189 -3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.124 -1.073 -4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.019 -0.037 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.568 1.748 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.160 1.083 -7.067 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.024 -0.064 -6.319 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -9.748 -0.482 -6.458 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -10.792 2.309 -5.681 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -11.442 0.792 -5.014 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.846 2.062 -3.919 1.00 0.00 H new ATOM 1181 N THR A 75 -8.399 1.848 -1.358 1.00 0.00 N ATOM 1182 CA THR A 75 -8.338 3.184 -0.787 1.00 0.00 C ATOM 1183 C THR A 75 -6.970 3.439 -0.176 1.00 0.00 C ATOM 1184 O THR A 75 -6.570 4.582 0.036 1.00 0.00 O ATOM 1185 CB THR A 75 -9.438 3.342 0.272 1.00 0.00 C ATOM 1186 OG1 THR A 75 -10.362 4.344 -0.110 1.00 0.00 O ATOM 1187 CG2 THR A 75 -8.933 3.688 1.666 1.00 0.00 C ATOM 0 H THR A 75 -8.984 1.197 -0.835 1.00 0.00 H new ATOM 0 HA THR A 75 -8.498 3.917 -1.578 1.00 0.00 H new ATOM 0 HB THR A 75 -9.905 2.359 0.324 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.056 4.428 0.577 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.779 3.780 2.347 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.268 2.900 2.018 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.390 4.633 1.632 1.00 0.00 H new ATOM 1195 N ILE A 76 -6.260 2.365 0.113 1.00 0.00 N ATOM 1196 CA ILE A 76 -4.938 2.476 0.697 1.00 0.00 C ATOM 1197 C ILE A 76 -3.912 2.791 -0.384 1.00 0.00 C ATOM 1198 O ILE A 76 -3.242 3.820 -0.331 1.00 0.00 O ATOM 1199 CB ILE A 76 -4.552 1.179 1.444 1.00 0.00 C ATOM 1200 CG1 ILE A 76 -5.397 1.027 2.712 1.00 0.00 C ATOM 1201 CG2 ILE A 76 -3.068 1.152 1.782 1.00 0.00 C ATOM 1202 CD1 ILE A 76 -6.525 0.027 2.567 1.00 0.00 C ATOM 0 H ILE A 76 -6.576 1.408 -0.047 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.951 3.291 1.421 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.754 0.336 0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -4.752 0.719 3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.814 1.998 2.980 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.831 0.226 2.307 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.484 1.208 0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.824 2.003 2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.083 -0.031 3.502 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.192 0.345 1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.113 -0.954 2.329 1.00 0.00 H new ATOM 1214 N TYR A 77 -3.806 1.914 -1.377 1.00 0.00 N ATOM 1215 CA TYR A 77 -2.873 2.127 -2.474 1.00 0.00 C ATOM 1216 C TYR A 77 -3.152 3.476 -3.119 1.00 0.00 C ATOM 1217 O TYR A 77 -2.236 4.213 -3.486 1.00 0.00 O ATOM 1218 CB TYR A 77 -2.978 0.976 -3.482 1.00 0.00 C ATOM 1219 CG TYR A 77 -3.746 1.285 -4.752 1.00 0.00 C ATOM 1220 CD1 TYR A 77 -3.288 2.231 -5.662 1.00 0.00 C ATOM 1221 CD2 TYR A 77 -4.930 0.620 -5.036 1.00 0.00 C ATOM 1222 CE1 TYR A 77 -3.992 2.505 -6.820 1.00 0.00 C ATOM 1223 CE2 TYR A 77 -5.639 0.886 -6.192 1.00 0.00 C ATOM 1224 CZ TYR A 77 -5.166 1.830 -7.079 1.00 0.00 C ATOM 1225 OH TYR A 77 -5.870 2.099 -8.230 1.00 0.00 O ATOM 0 H TYR A 77 -4.352 1.055 -1.444 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.850 2.138 -2.098 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.970 0.663 -3.755 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.453 0.127 -2.989 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.368 2.760 -5.461 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.304 -0.118 -4.342 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.625 3.243 -7.517 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.558 0.358 -6.399 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.672 1.537 -8.261 1.00 0.00 H new ATOM 1235 N THR A 78 -4.433 3.802 -3.217 1.00 0.00 N ATOM 1236 CA THR A 78 -4.860 5.075 -3.771 1.00 0.00 C ATOM 1237 C THR A 78 -4.317 6.197 -2.900 1.00 0.00 C ATOM 1238 O THR A 78 -3.916 7.257 -3.383 1.00 0.00 O ATOM 1239 CB THR A 78 -6.386 5.135 -3.804 1.00 0.00 C ATOM 1240 OG1 THR A 78 -6.848 5.931 -4.880 1.00 0.00 O ATOM 1241 CG2 THR A 78 -6.977 5.682 -2.533 1.00 0.00 C ATOM 0 H THR A 78 -5.198 3.197 -2.917 1.00 0.00 H new ATOM 0 HA THR A 78 -4.481 5.183 -4.787 1.00 0.00 H new ATOM 0 HB THR A 78 -6.712 4.102 -3.928 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.828 5.949 -4.876 1.00 0.00 H new ATOM 0 HG21 THR A 78 -8.064 5.701 -2.616 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.688 5.048 -1.695 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.608 6.694 -2.366 1.00 0.00 H new ATOM 1249 N GLN A 79 -4.305 5.923 -1.603 1.00 0.00 N ATOM 1250 CA GLN A 79 -3.811 6.863 -0.612 1.00 0.00 C ATOM 1251 C GLN A 79 -2.297 6.915 -0.686 1.00 0.00 C ATOM 1252 O GLN A 79 -1.679 7.964 -0.505 1.00 0.00 O ATOM 1253 CB GLN A 79 -4.259 6.453 0.792 1.00 0.00 C ATOM 1254 CG GLN A 79 -5.673 6.893 1.125 1.00 0.00 C ATOM 1255 CD GLN A 79 -5.712 8.183 1.921 1.00 0.00 C ATOM 1256 OE1 GLN A 79 -4.852 9.128 1.560 1.00 0.00 O flip ATOM 1257 NE2 GLN A 79 -6.507 8.329 2.849 1.00 0.00 N flip ATOM 0 H GLN A 79 -4.638 5.042 -1.210 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.221 7.851 -0.821 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -4.192 5.369 0.885 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -3.572 6.878 1.524 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.236 7.024 0.201 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.170 6.106 1.692 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.151 7.576 3.092 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.522 9.203 3.375 1.00 0.00 H new ATOM 1266 N ILE A 80 -1.719 5.761 -0.980 1.00 0.00 N ATOM 1267 CA ILE A 80 -0.285 5.619 -1.118 1.00 0.00 C ATOM 1268 C ILE A 80 0.239 6.614 -2.149 1.00 0.00 C ATOM 1269 O ILE A 80 1.154 7.391 -1.871 1.00 0.00 O ATOM 1270 CB ILE A 80 0.048 4.169 -1.528 1.00 0.00 C ATOM 1271 CG1 ILE A 80 0.542 3.374 -0.323 1.00 0.00 C ATOM 1272 CG2 ILE A 80 1.048 4.108 -2.662 1.00 0.00 C ATOM 1273 CD1 ILE A 80 -0.469 2.362 0.153 1.00 0.00 C ATOM 0 H ILE A 80 -2.237 4.895 -1.130 1.00 0.00 H new ATOM 0 HA ILE A 80 0.201 5.832 -0.166 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.873 3.716 -1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.469 2.863 -0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.775 4.061 0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.250 3.067 -2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.641 4.620 -3.534 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.975 4.593 -2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.068 1.824 1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.387 2.873 0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.683 1.657 -0.650 1.00 0.00 H new ATOM 1285 N GLN A 81 -0.373 6.606 -3.330 1.00 0.00 N ATOM 1286 CA GLN A 81 0.007 7.531 -4.386 1.00 0.00 C ATOM 1287 C GLN A 81 -0.266 8.955 -3.930 1.00 0.00 C ATOM 1288 O GLN A 81 0.454 9.891 -4.276 1.00 0.00 O ATOM 1289 CB GLN A 81 -0.766 7.227 -5.672 1.00 0.00 C ATOM 1290 CG GLN A 81 -0.266 5.993 -6.405 1.00 0.00 C ATOM 1291 CD GLN A 81 -0.694 5.967 -7.860 1.00 0.00 C ATOM 1292 OE1 GLN A 81 -1.739 6.509 -8.221 1.00 0.00 O ATOM 1293 NE2 GLN A 81 0.113 5.333 -8.703 1.00 0.00 N ATOM 0 H GLN A 81 -1.132 5.970 -3.576 1.00 0.00 H new ATOM 0 HA GLN A 81 1.071 7.416 -4.595 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.820 7.093 -5.429 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -0.699 8.087 -6.338 1.00 0.00 H new ATOM 0 HG2 GLN A 81 0.822 5.957 -6.349 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.640 5.100 -5.904 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.969 4.898 -8.360 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.124 5.281 -9.694 1.00 0.00 H new ATOM 1302 N LYS A 82 -1.315 9.097 -3.132 1.00 0.00 N ATOM 1303 CA LYS A 82 -1.709 10.384 -2.588 1.00 0.00 C ATOM 1304 C LYS A 82 -0.682 10.887 -1.607 1.00 0.00 C ATOM 1305 O LYS A 82 -0.462 12.084 -1.488 1.00 0.00 O ATOM 1306 CB LYS A 82 -3.058 10.265 -1.886 1.00 0.00 C ATOM 1307 CG LYS A 82 -4.119 11.157 -2.482 1.00 0.00 C ATOM 1308 CD LYS A 82 -4.772 10.491 -3.684 1.00 0.00 C ATOM 1309 CE LYS A 82 -6.253 10.236 -3.448 1.00 0.00 C ATOM 1310 NZ LYS A 82 -6.931 11.414 -2.843 1.00 0.00 N ATOM 0 H LYS A 82 -1.914 8.323 -2.845 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.786 11.091 -3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.395 9.229 -1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.935 10.512 -0.832 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.875 11.383 -1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.676 12.106 -2.783 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.647 11.123 -4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.269 9.547 -3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.734 9.987 -4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.373 9.373 -2.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.950 11.372 -3.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.785 11.407 -1.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.533 12.287 -3.243 1.00 0.00 H new ATOM 1324 N ASP A 83 -0.045 9.966 -0.919 1.00 0.00 N ATOM 1325 CA ASP A 83 0.975 10.322 0.043 1.00 0.00 C ATOM 1326 C ASP A 83 2.175 10.848 -0.711 1.00 0.00 C ATOM 1327 O ASP A 83 2.835 11.800 -0.296 1.00 0.00 O ATOM 1328 CB ASP A 83 1.368 9.107 0.873 1.00 0.00 C ATOM 1329 CG ASP A 83 0.168 8.400 1.474 1.00 0.00 C ATOM 1330 OD1 ASP A 83 -0.824 9.086 1.798 1.00 0.00 O ATOM 1331 OD2 ASP A 83 0.220 7.161 1.618 1.00 0.00 O ATOM 0 H ASP A 83 -0.215 8.964 -1.007 1.00 0.00 H new ATOM 0 HA ASP A 83 0.595 11.085 0.722 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.922 8.407 0.247 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.040 9.419 1.673 1.00 0.00 H new ATOM 1336 N ILE A 84 2.419 10.220 -1.848 1.00 0.00 N ATOM 1337 CA ILE A 84 3.501 10.595 -2.726 1.00 0.00 C ATOM 1338 C ILE A 84 3.342 12.046 -3.153 1.00 0.00 C ATOM 1339 O ILE A 84 4.231 12.874 -2.957 1.00 0.00 O ATOM 1340 CB ILE A 84 3.498 9.687 -3.977 1.00 0.00 C ATOM 1341 CG1 ILE A 84 4.529 8.582 -3.844 1.00 0.00 C ATOM 1342 CG2 ILE A 84 3.750 10.489 -5.220 1.00 0.00 C ATOM 1343 CD1 ILE A 84 4.369 7.812 -2.573 1.00 0.00 C ATOM 0 H ILE A 84 1.866 9.432 -2.185 1.00 0.00 H new ATOM 0 HA ILE A 84 4.445 10.477 -2.195 1.00 0.00 H new ATOM 0 HB ILE A 84 2.512 9.230 -4.057 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.443 7.903 -4.692 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.529 9.014 -3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.743 9.828 -6.087 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.970 11.242 -5.332 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.720 10.980 -5.146 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.129 7.032 -2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.482 8.485 -1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.379 7.357 -2.546 1.00 0.00 H new ATOM 1355 N LYS A 85 2.197 12.329 -3.757 1.00 0.00 N ATOM 1356 CA LYS A 85 1.895 13.658 -4.243 1.00 0.00 C ATOM 1357 C LYS A 85 1.554 14.599 -3.112 1.00 0.00 C ATOM 1358 O LYS A 85 1.813 15.801 -3.189 1.00 0.00 O ATOM 1359 CB LYS A 85 0.737 13.607 -5.228 1.00 0.00 C ATOM 1360 CG LYS A 85 1.134 14.059 -6.614 1.00 0.00 C ATOM 1361 CD LYS A 85 2.105 13.074 -7.244 1.00 0.00 C ATOM 1362 CE LYS A 85 3.551 13.403 -6.907 1.00 0.00 C ATOM 1363 NZ LYS A 85 4.429 13.349 -8.109 1.00 0.00 N ATOM 0 H LYS A 85 1.458 11.645 -3.921 1.00 0.00 H new ATOM 0 HA LYS A 85 2.787 14.035 -4.744 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.352 12.589 -5.278 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.074 14.237 -4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.246 14.152 -7.239 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.593 15.046 -6.562 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.873 12.066 -6.900 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.975 13.079 -8.326 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.603 14.398 -6.464 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.918 12.701 -6.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.406 13.579 -7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.400 12.393 -8.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.095 14.037 -8.814 1.00 0.00 H new ATOM 1377 N ASN A 86 0.955 14.056 -2.073 1.00 0.00 N ATOM 1378 CA ASN A 86 0.563 14.880 -0.938 1.00 0.00 C ATOM 1379 C ASN A 86 1.780 15.367 -0.157 1.00 0.00 C ATOM 1380 O ASN A 86 1.672 16.273 0.669 1.00 0.00 O ATOM 1381 CB ASN A 86 -0.393 14.129 -0.006 1.00 0.00 C ATOM 1382 CG ASN A 86 -0.806 14.957 1.196 1.00 0.00 C ATOM 1383 OD1 ASN A 86 0.044 14.985 2.217 1.00 0.00 O flip ATOM 1384 ND2 ASN A 86 -1.875 15.567 1.207 1.00 0.00 N flip ATOM 0 H ASN A 86 0.730 13.065 -1.986 1.00 0.00 H new ATOM 0 HA ASN A 86 0.041 15.749 -1.340 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -1.283 13.836 -0.564 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.085 13.211 0.337 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.498 15.518 0.401 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.137 16.121 2.022 1.00 0.00 H new ATOM 1391 N GLY A 87 2.934 14.760 -0.412 1.00 0.00 N ATOM 1392 CA GLY A 87 4.139 15.153 0.290 1.00 0.00 C ATOM 1393 C GLY A 87 4.274 14.440 1.616 1.00 0.00 C ATOM 1394 O GLY A 87 4.791 14.998 2.585 1.00 0.00 O ATOM 0 H GLY A 87 3.055 14.007 -1.089 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.008 14.935 -0.330 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.128 16.230 0.456 1.00 0.00 H new ATOM 1398 N ASN A 88 3.831 13.190 1.647 1.00 0.00 N ATOM 1399 CA ASN A 88 3.922 12.373 2.837 1.00 0.00 C ATOM 1400 C ASN A 88 5.056 11.387 2.651 1.00 0.00 C ATOM 1401 O ASN A 88 5.673 10.922 3.609 1.00 0.00 O ATOM 1402 CB ASN A 88 2.606 11.634 3.091 1.00 0.00 C ATOM 1403 CG ASN A 88 1.602 12.484 3.845 1.00 0.00 C ATOM 1404 OD1 ASN A 88 0.459 12.643 3.414 1.00 0.00 O ATOM 1405 ND2 ASN A 88 2.023 13.035 4.976 1.00 0.00 N ATOM 0 H ASN A 88 3.402 12.721 0.849 1.00 0.00 H new ATOM 0 HA ASN A 88 4.115 13.005 3.703 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.175 11.327 2.138 1.00 0.00 H new ATOM 0 HB3 ASN A 88 2.807 10.725 3.658 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.391 13.617 5.526 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.979 12.877 5.296 1.00 0.00 H new ATOM 1412 N ILE A 89 5.319 11.091 1.386 1.00 0.00 N ATOM 1413 CA ILE A 89 6.349 10.197 0.988 1.00 0.00 C ATOM 1414 C ILE A 89 7.417 10.980 0.246 1.00 0.00 C ATOM 1415 O ILE A 89 7.179 12.116 -0.167 1.00 0.00 O ATOM 1416 CB ILE A 89 5.748 9.171 0.037 1.00 0.00 C ATOM 1417 CG1 ILE A 89 4.482 8.539 0.631 1.00 0.00 C ATOM 1418 CG2 ILE A 89 6.778 8.151 -0.309 1.00 0.00 C ATOM 1419 CD1 ILE A 89 4.731 7.416 1.611 1.00 0.00 C ATOM 0 H ILE A 89 4.798 11.486 0.603 1.00 0.00 H new ATOM 0 HA ILE A 89 6.784 9.705 1.858 1.00 0.00 H new ATOM 0 HB ILE A 89 5.440 9.669 -0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.906 9.317 1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.866 8.160 -0.184 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.348 7.416 -0.990 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.626 8.639 -0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.114 7.651 0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.778 7.034 1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.277 6.614 1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.318 7.789 2.450 1.00 0.00 H new ATOM 1431 N ASP A 90 8.572 10.376 0.041 1.00 0.00 N ATOM 1432 CA ASP A 90 9.625 11.039 -0.695 1.00 0.00 C ATOM 1433 C ASP A 90 9.909 10.241 -1.939 1.00 0.00 C ATOM 1434 O ASP A 90 10.884 9.495 -2.020 1.00 0.00 O ATOM 1435 CB ASP A 90 10.883 11.221 0.157 1.00 0.00 C ATOM 1436 CG ASP A 90 11.179 12.680 0.446 1.00 0.00 C ATOM 1437 OD1 ASP A 90 11.409 13.441 -0.517 1.00 0.00 O ATOM 1438 OD2 ASP A 90 11.180 13.062 1.636 1.00 0.00 O ATOM 0 H ASP A 90 8.801 9.438 0.370 1.00 0.00 H new ATOM 0 HA ASP A 90 9.299 12.042 -0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 90 10.762 10.684 1.098 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.734 10.775 -0.357 1.00 0.00 H new ATOM 1443 N THR A 91 9.017 10.392 -2.906 1.00 0.00 N ATOM 1444 CA THR A 91 9.122 9.677 -4.156 1.00 0.00 C ATOM 1445 C THR A 91 10.498 9.838 -4.785 1.00 0.00 C ATOM 1446 O THR A 91 10.877 9.061 -5.659 1.00 0.00 O ATOM 1447 CB THR A 91 8.022 10.107 -5.112 1.00 0.00 C ATOM 1448 OG1 THR A 91 7.153 11.049 -4.506 1.00 0.00 O ATOM 1449 CG2 THR A 91 7.192 8.943 -5.578 1.00 0.00 C ATOM 0 H THR A 91 8.208 11.010 -2.842 1.00 0.00 H new ATOM 0 HA THR A 91 8.993 8.616 -3.944 1.00 0.00 H new ATOM 0 HB THR A 91 8.527 10.557 -5.967 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.790 11.648 -5.192 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.418 9.297 -6.259 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.829 8.225 -6.094 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.726 8.461 -4.719 1.00 0.00 H new ATOM 1457 N GLU A 92 11.262 10.813 -4.313 1.00 0.00 N ATOM 1458 CA GLU A 92 12.604 11.014 -4.809 1.00 0.00 C ATOM 1459 C GLU A 92 13.460 9.852 -4.343 1.00 0.00 C ATOM 1460 O GLU A 92 14.303 9.335 -5.079 1.00 0.00 O ATOM 1461 CB GLU A 92 13.184 12.336 -4.303 1.00 0.00 C ATOM 1462 CG GLU A 92 12.140 13.426 -4.110 1.00 0.00 C ATOM 1463 CD GLU A 92 12.745 14.816 -4.060 1.00 0.00 C ATOM 1464 OE1 GLU A 92 13.988 14.924 -4.028 1.00 0.00 O ATOM 1465 OE2 GLU A 92 11.973 15.799 -4.053 1.00 0.00 O ATOM 0 H GLU A 92 10.972 11.472 -3.590 1.00 0.00 H new ATOM 0 HA GLU A 92 12.588 11.060 -5.898 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.693 12.160 -3.355 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.937 12.687 -5.009 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.417 13.378 -4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.593 13.239 -3.186 1.00 0.00 H new ATOM 1472 N LYS A 93 13.195 9.420 -3.116 1.00 0.00 N ATOM 1473 CA LYS A 93 13.894 8.298 -2.542 1.00 0.00 C ATOM 1474 C LYS A 93 13.383 7.029 -3.197 1.00 0.00 C ATOM 1475 O LYS A 93 14.158 6.152 -3.578 1.00 0.00 O ATOM 1476 CB LYS A 93 13.743 8.295 -1.014 1.00 0.00 C ATOM 1477 CG LYS A 93 12.527 7.544 -0.490 1.00 0.00 C ATOM 1478 CD LYS A 93 11.748 8.324 0.558 1.00 0.00 C ATOM 1479 CE LYS A 93 12.649 9.164 1.440 1.00 0.00 C ATOM 1480 NZ LYS A 93 13.812 8.390 1.956 1.00 0.00 N ATOM 0 H LYS A 93 12.495 9.839 -2.503 1.00 0.00 H new ATOM 0 HA LYS A 93 14.965 8.368 -2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.639 7.856 -0.576 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.692 9.327 -0.667 1.00 0.00 H new ATOM 0 HG2 LYS A 93 11.866 7.308 -1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.850 6.595 -0.062 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.024 8.971 0.062 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.182 7.629 1.178 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.009 10.024 0.875 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.073 9.553 2.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.042 8.710 2.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.574 7.378 1.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.633 8.541 1.335 1.00 0.00 H new ATOM 1494 N LEU A 94 12.070 6.973 -3.378 1.00 0.00 N ATOM 1495 CA LEU A 94 11.438 5.865 -4.046 1.00 0.00 C ATOM 1496 C LEU A 94 12.028 5.708 -5.425 1.00 0.00 C ATOM 1497 O LEU A 94 12.388 4.614 -5.839 1.00 0.00 O ATOM 1498 CB LEU A 94 9.959 6.138 -4.172 1.00 0.00 C ATOM 1499 CG LEU A 94 9.151 5.695 -2.979 1.00 0.00 C ATOM 1500 CD1 LEU A 94 8.153 6.764 -2.587 1.00 0.00 C ATOM 1501 CD2 LEU A 94 8.466 4.379 -3.288 1.00 0.00 C ATOM 0 H LEU A 94 11.423 7.696 -3.064 1.00 0.00 H new ATOM 0 HA LEU A 94 11.599 4.953 -3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.809 7.207 -4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.581 5.634 -5.062 1.00 0.00 H new ATOM 0 HG LEU A 94 9.815 5.543 -2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.579 6.427 -1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.684 7.682 -2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.477 6.954 -3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.883 4.061 -2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.805 4.505 -4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.217 3.623 -3.517 1.00 0.00 H new ATOM 1513 N ARG A 95 12.116 6.826 -6.132 1.00 0.00 N ATOM 1514 CA ARG A 95 12.659 6.838 -7.469 1.00 0.00 C ATOM 1515 C ARG A 95 13.985 6.117 -7.541 1.00 0.00 C ATOM 1516 O ARG A 95 14.213 5.328 -8.450 1.00 0.00 O ATOM 1517 CB ARG A 95 12.833 8.273 -7.954 1.00 0.00 C ATOM 1518 CG ARG A 95 12.366 8.472 -9.375 1.00 0.00 C ATOM 1519 CD ARG A 95 13.469 9.029 -10.261 1.00 0.00 C ATOM 1520 NE ARG A 95 13.449 10.488 -10.315 1.00 0.00 N ATOM 1521 CZ ARG A 95 14.459 11.225 -10.774 1.00 0.00 C ATOM 1522 NH1 ARG A 95 15.569 10.643 -11.213 1.00 0.00 N ATOM 1523 NH2 ARG A 95 14.360 12.547 -10.794 1.00 0.00 N ATOM 0 H ARG A 95 11.814 7.739 -5.792 1.00 0.00 H new ATOM 0 HA ARG A 95 11.952 6.315 -8.113 1.00 0.00 H new ATOM 0 HB2 ARG A 95 12.278 8.943 -7.297 1.00 0.00 H new ATOM 0 HB3 ARG A 95 13.884 8.552 -7.880 1.00 0.00 H new ATOM 0 HG2 ARG A 95 12.020 7.521 -9.780 1.00 0.00 H new ATOM 0 HG3 ARG A 95 11.514 9.152 -9.385 1.00 0.00 H new ATOM 0 HD2 ARG A 95 14.437 8.694 -9.887 1.00 0.00 H new ATOM 0 HD3 ARG A 95 13.360 8.628 -11.269 1.00 0.00 H new ATOM 0 HE ARG A 95 12.614 10.970 -9.982 1.00 0.00 H new ATOM 0 HH11 ARG A 95 15.651 9.626 -11.200 1.00 0.00 H new ATOM 0 HH12 ARG A 95 16.339 11.213 -11.563 1.00 0.00 H new ATOM 0 HH21 ARG A 95 13.510 13.000 -10.458 1.00 0.00 H new ATOM 0 HH22 ARG A 95 15.134 13.111 -11.146 1.00 0.00 H new ATOM 1537 N LYS A 96 14.849 6.389 -6.579 1.00 0.00 N ATOM 1538 CA LYS A 96 16.163 5.759 -6.550 1.00 0.00 C ATOM 1539 C LYS A 96 16.015 4.255 -6.435 1.00 0.00 C ATOM 1540 O LYS A 96 16.454 3.503 -7.305 1.00 0.00 O ATOM 1541 CB LYS A 96 17.005 6.297 -5.391 1.00 0.00 C ATOM 1542 CG LYS A 96 17.118 7.814 -5.363 1.00 0.00 C ATOM 1543 CD LYS A 96 17.495 8.373 -6.724 1.00 0.00 C ATOM 1544 CE LYS A 96 18.914 7.989 -7.113 1.00 0.00 C ATOM 1545 NZ LYS A 96 18.937 6.937 -8.166 1.00 0.00 N ATOM 0 H LYS A 96 14.669 7.036 -5.812 1.00 0.00 H new ATOM 0 HA LYS A 96 16.677 5.998 -7.481 1.00 0.00 H new ATOM 0 HB2 LYS A 96 16.570 5.957 -4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 96 18.006 5.869 -5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 96 16.169 8.244 -5.043 1.00 0.00 H new ATOM 0 HG3 LYS A 96 17.866 8.110 -4.628 1.00 0.00 H new ATOM 0 HD2 LYS A 96 16.798 8.003 -7.476 1.00 0.00 H new ATOM 0 HD3 LYS A 96 17.402 9.459 -6.711 1.00 0.00 H new ATOM 0 HE2 LYS A 96 19.444 8.872 -7.471 1.00 0.00 H new ATOM 0 HE3 LYS A 96 19.448 7.632 -6.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 19.850 6.963 -8.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 18.808 6.003 -7.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 18.169 7.109 -8.845 1.00 0.00 H new ATOM 1559 N TYR A 97 15.369 3.826 -5.364 1.00 0.00 N ATOM 1560 CA TYR A 97 15.128 2.414 -5.141 1.00 0.00 C ATOM 1561 C TYR A 97 14.327 1.840 -6.305 1.00 0.00 C ATOM 1562 O TYR A 97 14.463 0.672 -6.647 1.00 0.00 O ATOM 1563 CB TYR A 97 14.392 2.220 -3.815 1.00 0.00 C ATOM 1564 CG TYR A 97 13.302 1.191 -3.875 1.00 0.00 C ATOM 1565 CD1 TYR A 97 13.620 -0.146 -4.016 1.00 0.00 C ATOM 1566 CD2 TYR A 97 11.966 1.556 -3.806 1.00 0.00 C ATOM 1567 CE1 TYR A 97 12.635 -1.108 -4.085 1.00 0.00 C ATOM 1568 CE2 TYR A 97 10.977 0.602 -3.878 1.00 0.00 C ATOM 1569 CZ TYR A 97 11.313 -0.729 -4.015 1.00 0.00 C ATOM 1570 OH TYR A 97 10.324 -1.682 -4.089 1.00 0.00 O ATOM 0 H TYR A 97 15.002 4.438 -4.635 1.00 0.00 H new ATOM 0 HA TYR A 97 16.078 1.882 -5.085 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.112 1.930 -3.049 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.963 3.173 -3.505 1.00 0.00 H new ATOM 0 HD1 TYR A 97 14.657 -0.442 -4.073 1.00 0.00 H new ATOM 0 HD2 TYR A 97 11.700 2.597 -3.695 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.898 -2.150 -4.193 1.00 0.00 H new ATOM 0 HE2 TYR A 97 9.939 0.895 -3.827 1.00 0.00 H new ATOM 0 HH TYR A 97 10.510 -2.397 -3.445 1.00 0.00 H new ATOM 1580 N GLU A 98 13.508 2.685 -6.915 1.00 0.00 N ATOM 1581 CA GLU A 98 12.693 2.287 -8.049 1.00 0.00 C ATOM 1582 C GLU A 98 13.568 2.103 -9.277 1.00 0.00 C ATOM 1583 O GLU A 98 13.230 1.341 -10.178 1.00 0.00 O ATOM 1584 CB GLU A 98 11.614 3.339 -8.316 1.00 0.00 C ATOM 1585 CG GLU A 98 10.571 2.908 -9.331 1.00 0.00 C ATOM 1586 CD GLU A 98 9.907 4.085 -10.017 1.00 0.00 C ATOM 1587 OE1 GLU A 98 10.614 4.843 -10.713 1.00 0.00 O ATOM 1588 OE2 GLU A 98 8.679 4.249 -9.857 1.00 0.00 O ATOM 0 H GLU A 98 13.392 3.660 -6.638 1.00 0.00 H new ATOM 0 HA GLU A 98 12.205 1.339 -7.821 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.115 3.580 -7.377 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.092 4.254 -8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.040 2.272 -10.081 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.811 2.306 -8.833 1.00 0.00 H new ATOM 1595 N ILE A 99 14.708 2.788 -9.300 1.00 0.00 N ATOM 1596 CA ILE A 99 15.626 2.659 -10.416 1.00 0.00 C ATOM 1597 C ILE A 99 16.177 1.256 -10.448 1.00 0.00 C ATOM 1598 O ILE A 99 16.168 0.578 -11.475 1.00 0.00 O ATOM 1599 CB ILE A 99 16.818 3.630 -10.318 1.00 0.00 C ATOM 1600 CG1 ILE A 99 16.349 5.038 -9.999 1.00 0.00 C ATOM 1601 CG2 ILE A 99 17.624 3.606 -11.604 1.00 0.00 C ATOM 1602 CD1 ILE A 99 15.268 5.551 -10.927 1.00 0.00 C ATOM 0 H ILE A 99 15.011 3.429 -8.567 1.00 0.00 H new ATOM 0 HA ILE A 99 15.063 2.894 -11.319 1.00 0.00 H new ATOM 0 HB ILE A 99 17.461 3.302 -9.501 1.00 0.00 H new ATOM 0 HG12 ILE A 99 15.977 5.063 -8.975 1.00 0.00 H new ATOM 0 HG13 ILE A 99 17.203 5.714 -10.044 1.00 0.00 H new ATOM 0 HG21 ILE A 99 18.463 4.297 -11.520 1.00 0.00 H new ATOM 0 HG22 ILE A 99 18.000 2.598 -11.779 1.00 0.00 H new ATOM 0 HG23 ILE A 99 16.989 3.906 -12.437 1.00 0.00 H new ATOM 0 HD11 ILE A 99 14.987 6.562 -10.634 1.00 0.00 H new ATOM 0 HD12 ILE A 99 15.642 5.561 -11.951 1.00 0.00 H new ATOM 0 HD13 ILE A 99 14.396 4.900 -10.865 1.00 0.00 H new ATOM 1614 N ALA A 100 16.656 0.838 -9.293 1.00 0.00 N ATOM 1615 CA ALA A 100 17.226 -0.491 -9.133 1.00 0.00 C ATOM 1616 C ALA A 100 16.184 -1.578 -9.302 1.00 0.00 C ATOM 1617 O ALA A 100 16.507 -2.765 -9.336 1.00 0.00 O ATOM 1618 CB ALA A 100 17.900 -0.612 -7.774 1.00 0.00 C ATOM 0 H ALA A 100 16.663 1.403 -8.443 1.00 0.00 H new ATOM 0 HA ALA A 100 17.970 -0.627 -9.918 1.00 0.00 H new ATOM 0 HB1 ALA A 100 18.323 -1.611 -7.665 1.00 0.00 H new ATOM 0 HB2 ALA A 100 18.695 0.129 -7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 100 17.165 -0.442 -6.987 1.00 0.00 H new ATOM 1624 N LYS A 101 14.934 -1.172 -9.384 1.00 0.00 N ATOM 1625 CA LYS A 101 13.847 -2.100 -9.520 1.00 0.00 C ATOM 1626 C LYS A 101 13.216 -2.059 -10.907 1.00 0.00 C ATOM 1627 O LYS A 101 13.016 -3.091 -11.546 1.00 0.00 O ATOM 1628 CB LYS A 101 12.825 -1.767 -8.467 1.00 0.00 C ATOM 1629 CG LYS A 101 13.395 -1.760 -7.060 1.00 0.00 C ATOM 1630 CD LYS A 101 13.637 -3.157 -6.520 1.00 0.00 C ATOM 1631 CE LYS A 101 12.391 -4.021 -6.600 1.00 0.00 C ATOM 1632 NZ LYS A 101 11.199 -3.334 -6.030 1.00 0.00 N ATOM 0 H LYS A 101 14.651 -0.192 -9.358 1.00 0.00 H new ATOM 0 HA LYS A 101 14.228 -3.113 -9.389 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.396 -0.788 -8.683 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.011 -2.490 -8.519 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.333 -1.205 -7.055 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.709 -1.232 -6.397 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.442 -3.629 -7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.968 -3.093 -5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.196 -4.281 -7.640 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.562 -4.955 -6.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.516 -4.044 -5.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 11.492 -2.734 -5.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.755 -2.744 -6.762 1.00 0.00 H new ATOM 1646 N GLY A 102 12.888 -0.857 -11.347 1.00 0.00 N ATOM 1647 CA GLY A 102 12.257 -0.677 -12.643 1.00 0.00 C ATOM 1648 C GLY A 102 10.792 -1.066 -12.612 1.00 0.00 C ATOM 1649 O GLY A 102 10.310 -1.780 -13.492 1.00 0.00 O ATOM 0 H GLY A 102 13.047 0.007 -10.828 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.351 0.364 -12.952 1.00 0.00 H new ATOM 0 HA3 GLY A 102 12.778 -1.279 -13.388 1.00 0.00 H new ATOM 1653 N LEU A 103 10.088 -0.609 -11.579 1.00 0.00 N ATOM 1654 CA LEU A 103 8.674 -0.922 -11.409 1.00 0.00 C ATOM 1655 C LEU A 103 7.781 0.283 -11.664 1.00 0.00 C ATOM 1656 O LEU A 103 6.637 0.330 -11.212 1.00 0.00 O ATOM 1657 CB LEU A 103 8.435 -1.452 -10.003 1.00 0.00 C ATOM 1658 CG LEU A 103 8.533 -0.379 -8.928 1.00 0.00 C ATOM 1659 CD1 LEU A 103 7.639 -0.713 -7.744 1.00 0.00 C ATOM 1660 CD2 LEU A 103 9.975 -0.188 -8.489 1.00 0.00 C ATOM 0 H LEU A 103 10.477 -0.018 -10.845 1.00 0.00 H new ATOM 0 HA LEU A 103 8.414 -1.681 -12.147 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.447 -1.911 -9.959 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.161 -2.237 -9.790 1.00 0.00 H new ATOM 0 HG LEU A 103 8.183 0.562 -9.353 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.727 0.069 -6.990 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.604 -0.781 -8.078 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.945 -1.667 -7.315 1.00 0.00 H new ATOM 0 HD21 LEU A 103 10.022 0.583 -7.720 1.00 0.00 H new ATOM 0 HD22 LEU A 103 10.360 -1.125 -8.087 1.00 0.00 H new ATOM 0 HD23 LEU A 103 10.579 0.115 -9.344 1.00 0.00 H new