USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 674 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 98 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 86 MET CE :methyl -167:sc= -5.54! (180deg=-5.95!) USER MOD Set 2.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 2 GLN : amide:sc= 0 K(o=-4.3,f=-4.8) USER MOD Set 3.2: A 4 ASN : amide:sc= -1.43! C(o=-4.3!,f=-9.5!) USER MOD Set 3.3: A 68 HIS : no HE2:sc= -3.99! C(o=-4.3!,f=-6.9!) USER MOD Set 3.4: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 3.5: A 89 ASN : amide:sc= 1.08 K(o=-4.3,f=-6.7) USER MOD Set 4.1: A 43 ASN : amide:sc= -4.82! C(o=-3.6!,f=-8.1!) USER MOD Set 4.2: A 54 SER OG : rot 16:sc= 0.508 USER MOD Set 4.3: A 112 LYS NZ :NH3+ -159:sc= 0.752 (180deg=0.46) USER MOD Set 5.1: A 38 ASN : amide:sc= -0.048 X(o=-0.25,f=-0.29) USER MOD Set 5.2: A 57 SER OG : rot -150:sc= -0.201 USER MOD Set 6.1: A 7 ASN : amide:sc= -0.784 K(o=0.31,f=-8.8!) USER MOD Set 6.2: A 8 SER OG : rot 73:sc= 1.09 USER MOD Single : A 1 MET CE :methyl -160:sc= -0.172 (180deg=-0.796) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.92 K(o=0.92,f=-7.9!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 110:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -0.103 F(o=-2.3!,f=-0.1) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -5.12! C(o=-5.1!,f=-7.1!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -165:sc= 0.889 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 35:sc= 0.157 USER MOD Single : A 73 SER OG : rot -147:sc= 0.107 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc=-0.00257 K(o=-0.0026,f=-1.1!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 60:sc= -2.55! USER MOD Single : A 85 SER OG : rot 180:sc=-0.00686 USER MOD Single : A 94 ASN : amide:sc= -2.86! K(o=-2.9!,f=-4.8) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= -0.013 USER MOD Single : A 106 ASN :FLIP amide:sc= -0.109 F(o=-1.4!,f=-0.11) USER MOD Single : A 109 HIS : no HD1:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 113 SER OG : rot -58:sc= 0.0367 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.816 -4.011 -4.902 1.00 0.00 N ATOM 2 CA MET A 1 16.151 -4.863 -3.898 1.00 0.00 C ATOM 3 C MET A 1 14.710 -4.421 -3.698 1.00 0.00 C ATOM 4 O MET A 1 13.783 -5.115 -4.123 1.00 0.00 O ATOM 5 CB MET A 1 16.912 -4.800 -2.568 1.00 0.00 C ATOM 6 CG MET A 1 16.307 -5.670 -1.475 1.00 0.00 C ATOM 7 SD MET A 1 17.207 -5.560 0.085 1.00 0.00 S ATOM 8 CE MET A 1 18.832 -6.114 -0.423 1.00 0.00 C ATOM 0 H1 MET A 1 17.799 -4.325 -5.027 1.00 0.00 H new ATOM 0 H2 MET A 1 16.311 -4.084 -5.808 1.00 0.00 H new ATOM 0 H3 MET A 1 16.807 -3.022 -4.579 1.00 0.00 H new ATOM 0 HA MET A 1 16.152 -5.892 -4.258 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.944 -5.108 -2.735 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.939 -3.766 -2.224 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.271 -5.373 -1.313 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.293 -6.708 -1.809 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.395 -6.441 0.451 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.731 -6.945 -1.121 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.361 -5.294 -0.909 1.00 0.00 H new ATOM 18 N GLN A 2 14.527 -3.254 -3.075 1.00 0.00 N ATOM 19 CA GLN A 2 13.194 -2.718 -2.799 1.00 0.00 C ATOM 20 C GLN A 2 12.387 -3.705 -1.952 1.00 0.00 C ATOM 21 O GLN A 2 12.960 -4.561 -1.269 1.00 0.00 O ATOM 22 CB GLN A 2 12.448 -2.391 -4.102 1.00 0.00 C ATOM 23 CG GLN A 2 13.104 -1.295 -4.926 1.00 0.00 C ATOM 24 CD GLN A 2 12.300 -0.928 -6.160 1.00 0.00 C ATOM 25 OE1 GLN A 2 11.610 -1.763 -6.743 1.00 0.00 O ATOM 26 NE2 GLN A 2 12.382 0.331 -6.563 1.00 0.00 N ATOM 0 H GLN A 2 15.291 -2.660 -2.751 1.00 0.00 H new ATOM 0 HA GLN A 2 13.312 -1.791 -2.238 1.00 0.00 H new ATOM 0 HB2 GLN A 2 12.379 -3.295 -4.707 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.429 -2.090 -3.860 1.00 0.00 H new ATOM 0 HG2 GLN A 2 13.234 -0.408 -4.305 1.00 0.00 H new ATOM 0 HG3 GLN A 2 14.099 -1.621 -5.229 1.00 0.00 H new ATOM 0 HE21 GLN A 2 12.966 0.993 -6.052 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.861 0.638 -7.385 1.00 0.00 H new ATOM 33 N CYS A 3 11.072 -3.580 -1.971 1.00 0.00 N ATOM 34 CA CYS A 3 10.223 -4.484 -1.213 1.00 0.00 C ATOM 35 C CYS A 3 9.487 -5.422 -2.160 1.00 0.00 C ATOM 36 O CYS A 3 9.707 -6.634 -2.135 1.00 0.00 O ATOM 37 CB CYS A 3 9.237 -3.695 -0.360 1.00 0.00 C ATOM 38 SG CYS A 3 10.026 -2.634 0.890 1.00 0.00 S ATOM 0 H CYS A 3 10.570 -2.866 -2.499 1.00 0.00 H new ATOM 0 HA CYS A 3 10.846 -5.081 -0.547 1.00 0.00 H new ATOM 0 HB2 CYS A 3 8.622 -3.075 -1.013 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.566 -4.393 0.141 1.00 0.00 H new ATOM 42 N ASN A 4 8.625 -4.846 -3.001 1.00 0.00 N ATOM 43 CA ASN A 4 7.863 -5.606 -3.994 1.00 0.00 C ATOM 44 C ASN A 4 7.105 -6.774 -3.374 1.00 0.00 C ATOM 45 O ASN A 4 7.465 -7.923 -3.601 1.00 0.00 O ATOM 46 CB ASN A 4 8.802 -6.137 -5.086 1.00 0.00 C ATOM 47 CG ASN A 4 9.404 -5.040 -5.936 1.00 0.00 C ATOM 48 OD1 ASN A 4 8.764 -4.032 -6.205 1.00 0.00 O ATOM 49 ND2 ASN A 4 10.649 -5.222 -6.347 1.00 0.00 N ATOM 0 H ASN A 4 8.436 -3.844 -3.013 1.00 0.00 H new ATOM 0 HA ASN A 4 7.131 -4.922 -4.424 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.604 -6.709 -4.620 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.251 -6.825 -5.728 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.110 -4.507 -6.910 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.148 -6.077 -6.101 1.00 0.00 H new ATOM 55 N PHE A 5 6.051 -6.499 -2.609 1.00 0.00 N ATOM 56 CA PHE A 5 5.279 -7.580 -1.990 1.00 0.00 C ATOM 57 C PHE A 5 4.816 -8.593 -3.044 1.00 0.00 C ATOM 58 O PHE A 5 4.834 -9.800 -2.819 1.00 0.00 O ATOM 59 CB PHE A 5 4.065 -7.014 -1.235 1.00 0.00 C ATOM 60 CG PHE A 5 2.949 -6.507 -2.117 1.00 0.00 C ATOM 61 CD1 PHE A 5 3.157 -5.460 -3.007 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.689 -7.085 -2.055 1.00 0.00 C ATOM 63 CE1 PHE A 5 2.130 -5.001 -3.813 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.662 -6.630 -2.859 1.00 0.00 C ATOM 65 CZ PHE A 5 0.883 -5.587 -3.738 1.00 0.00 C ATOM 0 H PHE A 5 5.715 -5.558 -2.404 1.00 0.00 H new ATOM 0 HA PHE A 5 5.928 -8.091 -1.279 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.668 -7.790 -0.581 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.401 -6.199 -0.594 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.132 -4.999 -3.070 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.509 -7.900 -1.370 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.304 -4.186 -4.499 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.314 -7.089 -2.801 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.080 -5.231 -4.366 1.00 0.00 H new ATOM 74 N ALA A 6 4.472 -8.079 -4.215 1.00 0.00 N ATOM 75 CA ALA A 6 3.972 -8.882 -5.324 1.00 0.00 C ATOM 76 C ALA A 6 4.924 -10.003 -5.764 1.00 0.00 C ATOM 77 O ALA A 6 4.481 -10.975 -6.372 1.00 0.00 O ATOM 78 CB ALA A 6 3.673 -7.967 -6.498 1.00 0.00 C ATOM 0 H ALA A 6 4.532 -7.083 -4.426 1.00 0.00 H new ATOM 0 HA ALA A 6 3.069 -9.381 -4.972 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.298 -8.558 -7.334 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.921 -7.234 -6.206 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.585 -7.451 -6.799 1.00 0.00 H new ATOM 84 N ASN A 7 6.212 -9.889 -5.455 1.00 0.00 N ATOM 85 CA ASN A 7 7.182 -10.906 -5.878 1.00 0.00 C ATOM 86 C ASN A 7 6.901 -12.277 -5.273 1.00 0.00 C ATOM 87 O ASN A 7 7.239 -13.305 -5.861 1.00 0.00 O ATOM 88 CB ASN A 7 8.627 -10.477 -5.577 1.00 0.00 C ATOM 89 CG ASN A 7 8.982 -10.326 -4.099 1.00 0.00 C ATOM 90 OD1 ASN A 7 8.443 -11.002 -3.224 1.00 0.00 O ATOM 91 ND2 ASN A 7 9.917 -9.433 -3.812 1.00 0.00 N ATOM 0 H ASN A 7 6.609 -9.116 -4.921 1.00 0.00 H new ATOM 0 HA ASN A 7 7.066 -10.995 -6.958 1.00 0.00 H new ATOM 0 HB2 ASN A 7 9.303 -11.208 -6.021 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.815 -9.526 -6.075 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.207 -9.292 -2.844 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.347 -8.887 -4.558 1.00 0.00 H new ATOM 97 N SER A 8 6.283 -12.295 -4.110 1.00 0.00 N ATOM 98 CA SER A 8 5.976 -13.550 -3.441 1.00 0.00 C ATOM 99 C SER A 8 4.551 -13.546 -2.916 1.00 0.00 C ATOM 100 O SER A 8 4.183 -14.363 -2.067 1.00 0.00 O ATOM 101 CB SER A 8 6.953 -13.773 -2.295 1.00 0.00 C ATOM 102 OG SER A 8 8.296 -13.729 -2.750 1.00 0.00 O ATOM 0 H SER A 8 5.983 -11.460 -3.607 1.00 0.00 H new ATOM 0 HA SER A 8 6.073 -14.362 -4.162 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.800 -13.012 -1.530 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.756 -14.738 -1.828 1.00 0.00 H new ATOM 0 HG SER A 8 8.540 -12.803 -2.960 1.00 0.00 H new ATOM 107 N CYS A 9 3.754 -12.626 -3.422 1.00 0.00 N ATOM 108 CA CYS A 9 2.363 -12.523 -3.005 1.00 0.00 C ATOM 109 C CYS A 9 1.442 -12.776 -4.188 1.00 0.00 C ATOM 110 O CYS A 9 1.647 -12.232 -5.274 1.00 0.00 O ATOM 111 CB CYS A 9 2.091 -11.148 -2.389 1.00 0.00 C ATOM 112 SG CYS A 9 2.974 -10.834 -0.820 1.00 0.00 S ATOM 0 H CYS A 9 4.041 -11.940 -4.120 1.00 0.00 H new ATOM 0 HA CYS A 9 2.166 -13.280 -2.246 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.371 -10.379 -3.109 1.00 0.00 H new ATOM 0 HB3 CYS A 9 1.020 -11.047 -2.215 1.00 0.00 H new ATOM 116 N THR A 10 0.433 -13.612 -3.980 1.00 0.00 N ATOM 117 CA THR A 10 -0.507 -13.956 -5.036 1.00 0.00 C ATOM 118 C THR A 10 -1.952 -13.817 -4.572 1.00 0.00 C ATOM 119 O THR A 10 -2.246 -13.957 -3.383 1.00 0.00 O ATOM 120 CB THR A 10 -0.271 -15.399 -5.520 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.161 -16.279 -4.391 1.00 0.00 O ATOM 122 CG2 THR A 10 0.986 -15.489 -6.369 1.00 0.00 C ATOM 0 H THR A 10 0.245 -14.065 -3.086 1.00 0.00 H new ATOM 0 HA THR A 10 -0.337 -13.258 -5.856 1.00 0.00 H new ATOM 0 HB THR A 10 -1.121 -15.699 -6.133 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.013 -17.196 -4.704 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.130 -16.518 -6.698 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.884 -14.841 -7.239 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.847 -15.173 -5.779 1.00 0.00 H new ATOM 130 N GLY A 11 -2.846 -13.551 -5.518 1.00 0.00 N ATOM 131 CA GLY A 11 -4.255 -13.403 -5.204 1.00 0.00 C ATOM 132 C GLY A 11 -4.513 -12.229 -4.288 1.00 0.00 C ATOM 133 O GLY A 11 -5.002 -12.397 -3.172 1.00 0.00 O ATOM 0 H GLY A 11 -2.617 -13.434 -6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.820 -13.273 -6.127 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.619 -14.316 -4.733 1.00 0.00 H new ATOM 137 N VAL A 12 -4.179 -11.041 -4.763 1.00 0.00 N ATOM 138 CA VAL A 12 -4.354 -9.829 -3.979 1.00 0.00 C ATOM 139 C VAL A 12 -5.676 -9.132 -4.295 1.00 0.00 C ATOM 140 O VAL A 12 -6.036 -8.934 -5.458 1.00 0.00 O ATOM 141 CB VAL A 12 -3.181 -8.852 -4.196 1.00 0.00 C ATOM 142 CG1 VAL A 12 -1.915 -9.398 -3.554 1.00 0.00 C ATOM 143 CG2 VAL A 12 -2.955 -8.600 -5.677 1.00 0.00 C ATOM 0 H VAL A 12 -3.784 -10.889 -5.691 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.372 -10.132 -2.932 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.434 -7.903 -3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.095 -8.698 -3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.077 -9.528 -2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.665 -10.359 -4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.123 -7.908 -5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.724 -9.542 -6.175 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.856 -8.169 -6.114 1.00 0.00 H new ATOM 153 N GLU A 13 -6.398 -8.786 -3.239 1.00 0.00 N ATOM 154 CA GLU A 13 -7.680 -8.100 -3.356 1.00 0.00 C ATOM 155 C GLU A 13 -7.657 -6.809 -2.553 1.00 0.00 C ATOM 156 O GLU A 13 -6.866 -6.669 -1.619 1.00 0.00 O ATOM 157 CB GLU A 13 -8.822 -8.990 -2.859 1.00 0.00 C ATOM 158 CG GLU A 13 -9.101 -10.185 -3.748 1.00 0.00 C ATOM 159 CD GLU A 13 -9.519 -9.788 -5.148 1.00 0.00 C ATOM 160 OE1 GLU A 13 -9.962 -8.637 -5.343 1.00 0.00 O ATOM 161 OE2 GLU A 13 -9.421 -10.630 -6.063 1.00 0.00 O ATOM 0 H GLU A 13 -6.113 -8.972 -2.277 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.847 -7.871 -4.409 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.584 -9.344 -1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.728 -8.390 -2.778 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.208 -10.808 -3.803 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.886 -10.792 -3.297 1.00 0.00 H new ATOM 166 N LEU A 14 -8.527 -5.874 -2.912 1.00 0.00 N ATOM 167 CA LEU A 14 -8.600 -4.595 -2.218 1.00 0.00 C ATOM 168 C LEU A 14 -10.043 -4.147 -2.035 1.00 0.00 C ATOM 169 O LEU A 14 -10.794 -4.007 -3.001 1.00 0.00 O ATOM 170 CB LEU A 14 -7.806 -3.527 -2.979 1.00 0.00 C ATOM 171 CG LEU A 14 -7.858 -2.107 -2.394 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.620 -2.110 -0.891 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.830 -1.231 -3.077 1.00 0.00 C ATOM 0 H LEU A 14 -9.191 -5.977 -3.679 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.159 -4.726 -1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.763 -3.842 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.174 -3.490 -4.004 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.857 -1.708 -2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.664 -1.088 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.387 -2.711 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.638 -2.533 -0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.872 -0.226 -2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.835 -1.648 -2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.041 -1.187 -4.145 1.00 0.00 H new ATOM 184 N TYR A 15 -10.425 -3.946 -0.782 1.00 0.00 N ATOM 185 CA TYR A 15 -11.768 -3.499 -0.449 1.00 0.00 C ATOM 186 C TYR A 15 -11.700 -2.269 0.446 1.00 0.00 C ATOM 187 O TYR A 15 -11.399 -2.375 1.636 1.00 0.00 O ATOM 188 CB TYR A 15 -12.551 -4.615 0.251 1.00 0.00 C ATOM 189 CG TYR A 15 -12.751 -5.842 -0.605 1.00 0.00 C ATOM 190 CD1 TYR A 15 -13.764 -5.891 -1.552 1.00 0.00 C ATOM 191 CD2 TYR A 15 -11.925 -6.950 -0.468 1.00 0.00 C ATOM 192 CE1 TYR A 15 -13.949 -7.009 -2.340 1.00 0.00 C ATOM 193 CE2 TYR A 15 -12.102 -8.071 -1.253 1.00 0.00 C ATOM 194 CZ TYR A 15 -13.113 -8.096 -2.186 1.00 0.00 C ATOM 195 OH TYR A 15 -13.288 -9.211 -2.974 1.00 0.00 O ATOM 0 H TYR A 15 -9.818 -4.087 0.026 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.286 -3.241 -1.373 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.025 -4.900 1.162 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.525 -4.230 0.552 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -14.418 -5.041 -1.674 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -11.132 -6.934 0.265 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -14.743 -7.033 -3.072 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.450 -8.924 -1.136 1.00 0.00 H new ATOM 0 HH TYR A 15 -12.617 -9.885 -2.740 1.00 0.00 H new ATOM 204 N GLY A 16 -11.929 -1.100 -0.138 1.00 0.00 N ATOM 205 CA GLY A 16 -11.903 0.137 0.623 1.00 0.00 C ATOM 206 C GLY A 16 -10.494 0.620 0.921 1.00 0.00 C ATOM 207 O GLY A 16 -10.107 1.714 0.513 1.00 0.00 O ATOM 0 H GLY A 16 -12.134 -0.985 -1.131 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.437 0.909 0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.438 -0.009 1.562 1.00 0.00 H new ATOM 211 N TYR A 17 -9.738 -0.199 1.635 1.00 0.00 N ATOM 212 CA TYR A 17 -8.363 0.116 2.009 1.00 0.00 C ATOM 213 C TYR A 17 -7.686 -1.107 2.627 1.00 0.00 C ATOM 214 O TYR A 17 -6.743 -0.982 3.415 1.00 0.00 O ATOM 215 CB TYR A 17 -8.330 1.293 2.996 1.00 0.00 C ATOM 216 CG TYR A 17 -9.174 1.097 4.245 1.00 0.00 C ATOM 217 CD1 TYR A 17 -8.689 0.382 5.336 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.450 1.643 4.339 1.00 0.00 C ATOM 219 CE1 TYR A 17 -9.449 0.214 6.477 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.215 1.483 5.480 1.00 0.00 C ATOM 221 CZ TYR A 17 -10.711 0.767 6.546 1.00 0.00 C ATOM 222 OH TYR A 17 -11.465 0.610 7.690 1.00 0.00 O ATOM 0 H TYR A 17 -10.060 -1.106 1.974 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.819 0.401 1.109 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.297 1.470 3.296 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.670 2.191 2.481 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.700 -0.050 5.290 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.850 2.202 3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -9.057 -0.348 7.312 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.203 1.917 5.536 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.328 1.060 7.577 1.00 0.00 H new ATOM 231 N ILE A 18 -8.164 -2.289 2.258 1.00 0.00 N ATOM 232 CA ILE A 18 -7.628 -3.535 2.791 1.00 0.00 C ATOM 233 C ILE A 18 -7.057 -4.405 1.680 1.00 0.00 C ATOM 234 O ILE A 18 -7.796 -4.880 0.817 1.00 0.00 O ATOM 235 CB ILE A 18 -8.726 -4.329 3.526 1.00 0.00 C ATOM 236 CG1 ILE A 18 -9.541 -3.386 4.413 1.00 0.00 C ATOM 237 CG2 ILE A 18 -8.110 -5.450 4.352 1.00 0.00 C ATOM 238 CD1 ILE A 18 -10.703 -4.050 5.120 1.00 0.00 C ATOM 0 H ILE A 18 -8.925 -2.411 1.589 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.833 -3.274 3.489 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.392 -4.780 2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.880 -2.945 5.159 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.922 -2.568 3.801 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.899 -6.000 4.864 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.563 -6.127 3.696 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.427 -5.026 5.088 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.228 -3.313 5.728 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.388 -4.466 4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.330 -4.849 5.761 1.00 0.00 H new ATOM 249 N LEU A 19 -5.747 -4.599 1.700 1.00 0.00 N ATOM 250 CA LEU A 19 -5.078 -5.423 0.707 1.00 0.00 C ATOM 251 C LEU A 19 -4.834 -6.794 1.298 1.00 0.00 C ATOM 252 O LEU A 19 -4.072 -6.931 2.248 1.00 0.00 O ATOM 253 CB LEU A 19 -3.734 -4.807 0.294 1.00 0.00 C ATOM 254 CG LEU A 19 -3.493 -4.705 -1.209 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.452 -6.084 -1.849 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.567 -3.849 -1.841 1.00 0.00 C ATOM 0 H LEU A 19 -5.124 -4.194 2.398 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.712 -5.491 -0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.665 -3.808 0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.932 -5.400 0.734 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.524 -4.236 -1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.279 -5.983 -2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.646 -6.667 -1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.402 -6.591 -1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.391 -3.779 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.543 -4.299 -1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.542 -2.851 -1.403 1.00 0.00 H new ATOM 267 N ARG A 20 -5.474 -7.805 0.759 1.00 0.00 N ATOM 268 CA ARG A 20 -5.290 -9.140 1.277 1.00 0.00 C ATOM 269 C ARG A 20 -4.842 -10.077 0.178 1.00 0.00 C ATOM 270 O ARG A 20 -5.279 -9.958 -0.965 1.00 0.00 O ATOM 271 CB ARG A 20 -6.570 -9.653 1.932 1.00 0.00 C ATOM 272 CG ARG A 20 -6.381 -10.988 2.628 1.00 0.00 C ATOM 273 CD ARG A 20 -6.940 -12.145 1.811 1.00 0.00 C ATOM 274 NE ARG A 20 -8.363 -11.983 1.511 1.00 0.00 N ATOM 275 CZ ARG A 20 -9.123 -12.933 0.968 1.00 0.00 C ATOM 276 NH1 ARG A 20 -8.611 -14.126 0.698 1.00 0.00 N ATOM 277 NH2 ARG A 20 -10.397 -12.692 0.698 1.00 0.00 N ATOM 0 H ARG A 20 -6.119 -7.731 -0.028 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.512 -9.104 2.040 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.922 -8.918 2.656 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.347 -9.751 1.174 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.319 -11.154 2.811 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.872 -10.962 3.601 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.383 -12.229 0.878 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.791 -13.077 2.357 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.800 -11.088 1.731 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.631 -14.320 0.906 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.197 -14.850 0.282 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.798 -11.778 0.906 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.977 -13.421 0.282 1.00 0.00 H new ATOM 288 N GLY A 21 -3.962 -10.993 0.534 1.00 0.00 N ATOM 289 CA GLY A 21 -3.462 -11.947 -0.425 1.00 0.00 C ATOM 290 C GLY A 21 -2.671 -13.057 0.226 1.00 0.00 C ATOM 291 O GLY A 21 -2.526 -13.088 1.449 1.00 0.00 O ATOM 0 H GLY A 21 -3.583 -11.093 1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.298 -12.376 -0.977 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.832 -11.433 -1.151 1.00 0.00 H new ATOM 295 N ASP A 22 -2.165 -13.966 -0.590 1.00 0.00 N ATOM 296 CA ASP A 22 -1.377 -15.084 -0.102 1.00 0.00 C ATOM 297 C ASP A 22 0.098 -14.833 -0.372 1.00 0.00 C ATOM 298 O ASP A 22 0.546 -14.886 -1.520 1.00 0.00 O ATOM 299 CB ASP A 22 -1.810 -16.391 -0.772 1.00 0.00 C ATOM 300 CG ASP A 22 -3.159 -16.889 -0.284 1.00 0.00 C ATOM 301 OD1 ASP A 22 -3.205 -17.602 0.741 1.00 0.00 O ATOM 302 OD2 ASP A 22 -4.180 -16.582 -0.936 1.00 0.00 O ATOM 0 H ASP A 22 -2.288 -13.950 -1.602 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.540 -15.176 0.972 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.852 -16.243 -1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.057 -17.156 -0.584 1.00 0.00 H new ATOM 306 N CYS A 23 0.845 -14.546 0.677 1.00 0.00 N ATOM 307 CA CYS A 23 2.263 -14.284 0.544 1.00 0.00 C ATOM 308 C CYS A 23 3.062 -15.451 1.099 1.00 0.00 C ATOM 309 O CYS A 23 2.796 -15.935 2.194 1.00 0.00 O ATOM 310 CB CYS A 23 2.608 -12.991 1.273 1.00 0.00 C ATOM 311 SG CYS A 23 1.730 -11.534 0.622 1.00 0.00 S ATOM 0 H CYS A 23 0.491 -14.489 1.632 1.00 0.00 H new ATOM 0 HA CYS A 23 2.519 -14.171 -0.510 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.371 -13.105 2.331 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.682 -12.819 1.203 1.00 0.00 H new ATOM 315 N ILE A 24 4.049 -15.892 0.338 1.00 0.00 N ATOM 316 CA ILE A 24 4.879 -17.023 0.730 1.00 0.00 C ATOM 317 C ILE A 24 5.836 -16.652 1.859 1.00 0.00 C ATOM 318 O ILE A 24 6.436 -15.578 1.857 1.00 0.00 O ATOM 319 CB ILE A 24 5.682 -17.560 -0.477 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.726 -17.921 -1.620 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.518 -18.765 -0.078 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.417 -18.504 -2.834 1.00 0.00 C ATOM 0 H ILE A 24 4.298 -15.482 -0.562 1.00 0.00 H new ATOM 0 HA ILE A 24 4.209 -17.804 1.090 1.00 0.00 H new ATOM 0 HB ILE A 24 6.362 -16.779 -0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.991 -18.637 -1.253 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.179 -17.027 -1.919 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.074 -19.125 -0.944 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.216 -18.479 0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.864 -19.556 0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.676 -18.734 -3.599 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.132 -17.782 -3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.941 -19.417 -2.551 1.00 0.00 H new ATOM 333 N ASN A 25 5.962 -17.546 2.831 1.00 0.00 N ATOM 334 CA ASN A 25 6.844 -17.320 3.968 1.00 0.00 C ATOM 335 C ASN A 25 8.135 -18.122 3.797 1.00 0.00 C ATOM 336 O ASN A 25 8.374 -18.674 2.723 1.00 0.00 O ATOM 337 CB ASN A 25 6.131 -17.688 5.277 1.00 0.00 C ATOM 338 CG ASN A 25 6.012 -19.177 5.504 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.835 -19.773 6.188 1.00 0.00 O ATOM 340 ND2 ASN A 25 5.000 -19.791 4.921 1.00 0.00 N ATOM 0 H ASN A 25 5.464 -18.436 2.855 1.00 0.00 H new ATOM 0 HA ASN A 25 7.104 -16.262 4.014 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.672 -17.244 6.113 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.133 -17.249 5.273 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.882 -20.798 5.032 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.336 -19.259 4.359 1.00 0.00 H new ATOM 346 N GLU A 26 8.955 -18.208 4.841 1.00 0.00 N ATOM 347 CA GLU A 26 10.223 -18.942 4.755 1.00 0.00 C ATOM 348 C GLU A 26 9.995 -20.430 4.476 1.00 0.00 C ATOM 349 O GLU A 26 10.846 -21.098 3.891 1.00 0.00 O ATOM 350 CB GLU A 26 11.062 -18.772 6.033 1.00 0.00 C ATOM 351 CG GLU A 26 10.352 -19.171 7.319 1.00 0.00 C ATOM 352 CD GLU A 26 9.600 -18.019 7.952 1.00 0.00 C ATOM 353 OE1 GLU A 26 8.522 -17.656 7.442 1.00 0.00 O ATOM 354 OE2 GLU A 26 10.093 -17.466 8.956 1.00 0.00 O ATOM 0 H GLU A 26 8.771 -17.784 5.750 1.00 0.00 H new ATOM 0 HA GLU A 26 10.776 -18.515 3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.971 -19.366 5.936 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.370 -17.730 6.113 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.655 -19.982 7.108 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.084 -19.556 8.029 1.00 0.00 H new ATOM 359 N ASP A 27 8.834 -20.935 4.877 1.00 0.00 N ATOM 360 CA ASP A 27 8.489 -22.339 4.679 1.00 0.00 C ATOM 361 C ASP A 27 8.291 -22.658 3.199 1.00 0.00 C ATOM 362 O ASP A 27 8.420 -23.806 2.777 1.00 0.00 O ATOM 363 CB ASP A 27 7.222 -22.684 5.460 1.00 0.00 C ATOM 364 CG ASP A 27 6.908 -24.167 5.455 1.00 0.00 C ATOM 365 OD1 ASP A 27 7.834 -24.977 5.675 1.00 0.00 O ATOM 366 OD2 ASP A 27 5.730 -24.526 5.235 1.00 0.00 O ATOM 0 H ASP A 27 8.111 -20.389 5.345 1.00 0.00 H new ATOM 0 HA ASP A 27 9.317 -22.944 5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.333 -22.345 6.490 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.380 -22.139 5.034 1.00 0.00 H new ATOM 370 N GLY A 28 7.981 -21.635 2.414 1.00 0.00 N ATOM 371 CA GLY A 28 7.776 -21.837 0.992 1.00 0.00 C ATOM 372 C GLY A 28 6.315 -21.998 0.639 1.00 0.00 C ATOM 373 O GLY A 28 5.970 -22.289 -0.506 1.00 0.00 O ATOM 0 H GLY A 28 7.868 -20.673 2.734 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.188 -20.990 0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.325 -22.722 0.670 1.00 0.00 H new ATOM 377 N HIS A 29 5.453 -21.813 1.625 1.00 0.00 N ATOM 378 CA HIS A 29 4.018 -21.934 1.416 1.00 0.00 C ATOM 379 C HIS A 29 3.345 -20.573 1.517 1.00 0.00 C ATOM 380 O HIS A 29 3.743 -19.733 2.327 1.00 0.00 O ATOM 381 CB HIS A 29 3.403 -22.899 2.433 1.00 0.00 C ATOM 382 CG HIS A 29 3.699 -24.341 2.161 1.00 0.00 C ATOM 383 ND1 HIS A 29 2.715 -25.278 1.948 1.00 0.00 N ATOM 384 CD2 HIS A 29 4.875 -25.007 2.068 1.00 0.00 C ATOM 385 CE1 HIS A 29 3.268 -26.457 1.738 1.00 0.00 C ATOM 386 NE2 HIS A 29 4.576 -26.318 1.804 1.00 0.00 N ATOM 0 H HIS A 29 5.722 -21.578 2.580 1.00 0.00 H new ATOM 0 HA HIS A 29 3.855 -22.332 0.414 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.770 -22.645 3.427 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.322 -22.757 2.446 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.862 -24.584 2.181 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.739 -27.378 1.545 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.257 -27.067 1.679 1.00 0.00 H new ATOM 394 N PRO A 30 2.335 -20.332 0.668 1.00 0.00 N ATOM 395 CA PRO A 30 1.588 -19.074 0.661 1.00 0.00 C ATOM 396 C PRO A 30 0.719 -18.918 1.908 1.00 0.00 C ATOM 397 O PRO A 30 -0.124 -19.765 2.202 1.00 0.00 O ATOM 398 CB PRO A 30 0.718 -19.174 -0.595 1.00 0.00 C ATOM 399 CG PRO A 30 0.586 -20.633 -0.860 1.00 0.00 C ATOM 400 CD PRO A 30 1.857 -21.266 -0.369 1.00 0.00 C ATOM 0 HA PRO A 30 2.248 -18.207 0.660 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.257 -18.712 -0.437 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.181 -18.661 -1.437 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.280 -21.046 -0.342 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.442 -20.824 -1.923 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.677 -22.260 0.040 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.585 -21.379 -1.173 1.00 0.00 H new ATOM 405 N HIS A 31 0.949 -17.843 2.643 1.00 0.00 N ATOM 406 CA HIS A 31 0.199 -17.558 3.853 1.00 0.00 C ATOM 407 C HIS A 31 -0.678 -16.331 3.629 1.00 0.00 C ATOM 408 O HIS A 31 -0.209 -15.304 3.134 1.00 0.00 O ATOM 409 CB HIS A 31 1.157 -17.326 5.029 1.00 0.00 C ATOM 410 CG HIS A 31 0.474 -17.116 6.351 1.00 0.00 C ATOM 411 ND1 HIS A 31 0.162 -18.149 7.210 1.00 0.00 N ATOM 412 CD2 HIS A 31 0.047 -15.984 6.962 1.00 0.00 C ATOM 413 CE1 HIS A 31 -0.424 -17.663 8.285 1.00 0.00 C ATOM 414 NE2 HIS A 31 -0.506 -16.353 8.162 1.00 0.00 N ATOM 0 H HIS A 31 1.659 -17.146 2.418 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.436 -18.411 4.093 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.827 -18.182 5.111 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.777 -16.456 4.811 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.127 -14.979 6.576 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.778 -18.241 9.126 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -0.914 -15.717 8.847 1.00 0.00 H new ATOM 422 N ALA A 32 -1.946 -16.446 3.984 1.00 0.00 N ATOM 423 CA ALA A 32 -2.890 -15.355 3.818 1.00 0.00 C ATOM 424 C ALA A 32 -2.619 -14.239 4.817 1.00 0.00 C ATOM 425 O ALA A 32 -2.635 -14.452 6.031 1.00 0.00 O ATOM 426 CB ALA A 32 -4.316 -15.858 3.963 1.00 0.00 C ATOM 0 H ALA A 32 -2.347 -17.290 4.392 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.762 -14.950 2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.010 -15.027 3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.514 -16.615 3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.449 -16.293 4.953 1.00 0.00 H new ATOM 432 N THR A 33 -2.353 -13.058 4.294 1.00 0.00 N ATOM 433 CA THR A 33 -2.088 -11.891 5.114 1.00 0.00 C ATOM 434 C THR A 33 -2.829 -10.697 4.535 1.00 0.00 C ATOM 435 O THR A 33 -3.115 -10.654 3.335 1.00 0.00 O ATOM 436 CB THR A 33 -0.573 -11.587 5.202 1.00 0.00 C ATOM 437 OG1 THR A 33 -0.333 -10.499 6.107 1.00 0.00 O ATOM 438 CG2 THR A 33 -0.001 -11.250 3.832 1.00 0.00 C ATOM 0 H THR A 33 -2.314 -12.880 3.290 1.00 0.00 H new ATOM 0 HA THR A 33 -2.439 -12.093 6.126 1.00 0.00 H new ATOM 0 HB THR A 33 -0.075 -12.482 5.575 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.105 -10.837 6.916 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.065 -11.041 3.924 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.148 -12.094 3.159 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.509 -10.373 3.431 1.00 0.00 H new ATOM 446 N SER A 34 -3.163 -9.749 5.382 1.00 0.00 N ATOM 447 CA SER A 34 -3.870 -8.571 4.938 1.00 0.00 C ATOM 448 C SER A 34 -3.201 -7.320 5.469 1.00 0.00 C ATOM 449 O SER A 34 -2.605 -7.334 6.542 1.00 0.00 O ATOM 450 CB SER A 34 -5.329 -8.633 5.374 1.00 0.00 C ATOM 451 OG SER A 34 -5.450 -8.900 6.763 1.00 0.00 O ATOM 0 H SER A 34 -2.956 -9.772 6.381 1.00 0.00 H new ATOM 0 HA SER A 34 -3.840 -8.536 3.849 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.819 -7.688 5.141 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.846 -9.408 4.808 1.00 0.00 H new ATOM 0 HG SER A 34 -6.398 -8.931 7.009 1.00 0.00 H new ATOM 456 N ILE A 35 -3.277 -6.251 4.702 1.00 0.00 N ATOM 457 CA ILE A 35 -2.667 -4.998 5.096 1.00 0.00 C ATOM 458 C ILE A 35 -3.649 -3.849 4.918 1.00 0.00 C ATOM 459 O ILE A 35 -4.464 -3.855 3.994 1.00 0.00 O ATOM 460 CB ILE A 35 -1.388 -4.681 4.275 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.484 -5.911 4.138 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.609 -3.541 4.915 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.757 -6.741 2.898 1.00 0.00 C ATOM 0 H ILE A 35 -3.756 -6.225 3.802 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.390 -5.105 6.145 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.710 -4.382 3.278 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.556 -5.585 4.123 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.608 -6.541 5.019 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.284 -3.334 4.325 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.234 -2.649 4.952 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.318 -3.822 5.927 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.077 -7.593 2.873 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.786 -7.099 2.919 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.604 -6.129 2.009 1.00 0.00 H new ATOM 474 N ASN A 36 -3.576 -2.867 5.801 1.00 0.00 N ATOM 475 CA ASN A 36 -4.449 -1.710 5.723 1.00 0.00 C ATOM 476 C ASN A 36 -3.700 -0.530 5.134 1.00 0.00 C ATOM 477 O ASN A 36 -2.977 0.178 5.833 1.00 0.00 O ATOM 478 CB ASN A 36 -5.012 -1.360 7.098 1.00 0.00 C ATOM 479 CG ASN A 36 -6.033 -2.375 7.568 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.717 -3.001 6.621 1.00 0.00 O flip ATOM 481 ND2 ASN A 36 -6.207 -2.592 8.767 1.00 0.00 N flip ATOM 0 H ASN A 36 -2.919 -2.849 6.581 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.287 -1.953 5.070 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.197 -1.304 7.820 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.473 -0.373 7.061 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.657 -2.086 9.462 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.901 -3.277 9.066 1.00 0.00 H new ATOM 487 N LEU A 37 -3.909 -0.316 3.842 1.00 0.00 N ATOM 488 CA LEU A 37 -3.250 0.756 3.103 1.00 0.00 C ATOM 489 C LEU A 37 -3.604 2.110 3.694 1.00 0.00 C ATOM 490 O LEU A 37 -2.836 3.065 3.600 1.00 0.00 O ATOM 491 CB LEU A 37 -3.659 0.737 1.620 1.00 0.00 C ATOM 492 CG LEU A 37 -3.435 -0.575 0.854 1.00 0.00 C ATOM 493 CD1 LEU A 37 -2.079 -1.183 1.183 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.559 -1.564 1.130 1.00 0.00 C ATOM 0 H LEU A 37 -4.541 -0.881 3.275 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.175 0.593 3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.717 0.990 1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.111 1.527 1.107 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.443 -0.344 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.951 -2.111 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.290 -0.483 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.023 -1.392 2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.377 -2.485 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.597 -1.784 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.509 -1.132 0.815 1.00 0.00 H new ATOM 505 N ASN A 38 -4.772 2.172 4.320 1.00 0.00 N ATOM 506 CA ASN A 38 -5.272 3.403 4.927 1.00 0.00 C ATOM 507 C ASN A 38 -4.295 3.963 5.958 1.00 0.00 C ATOM 508 O ASN A 38 -4.281 5.160 6.212 1.00 0.00 O ATOM 509 CB ASN A 38 -6.627 3.138 5.594 1.00 0.00 C ATOM 510 CG ASN A 38 -7.262 4.382 6.193 1.00 0.00 C ATOM 511 OD1 ASN A 38 -7.001 4.740 7.340 1.00 0.00 O ATOM 512 ND2 ASN A 38 -8.131 5.032 5.432 1.00 0.00 N ATOM 0 H ASN A 38 -5.399 1.374 4.422 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.384 4.143 4.135 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.308 2.711 4.858 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.497 2.392 6.378 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.608 5.858 5.794 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.323 4.706 4.485 1.00 0.00 H new ATOM 518 N TYR A 39 -3.465 3.108 6.531 1.00 0.00 N ATOM 519 CA TYR A 39 -2.522 3.552 7.546 1.00 0.00 C ATOM 520 C TYR A 39 -1.090 3.593 7.024 1.00 0.00 C ATOM 521 O TYR A 39 -0.158 3.820 7.796 1.00 0.00 O ATOM 522 CB TYR A 39 -2.601 2.633 8.768 1.00 0.00 C ATOM 523 CG TYR A 39 -3.991 2.506 9.347 1.00 0.00 C ATOM 524 CD1 TYR A 39 -4.474 3.436 10.257 1.00 0.00 C ATOM 525 CD2 TYR A 39 -4.820 1.450 8.985 1.00 0.00 C ATOM 526 CE1 TYR A 39 -5.745 3.320 10.787 1.00 0.00 C ATOM 527 CE2 TYR A 39 -6.091 1.328 9.510 1.00 0.00 C ATOM 528 CZ TYR A 39 -6.548 2.264 10.411 1.00 0.00 C ATOM 529 OH TYR A 39 -7.812 2.142 10.944 1.00 0.00 O ATOM 0 H TYR A 39 -3.424 2.112 6.314 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.799 4.568 7.826 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.242 1.642 8.490 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.929 3.011 9.539 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.847 4.263 10.556 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.463 0.713 8.281 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.108 4.053 11.492 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.723 0.503 9.216 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.247 1.345 10.575 1.00 0.00 H new ATOM 538 N TYR A 40 -0.901 3.377 5.724 1.00 0.00 N ATOM 539 CA TYR A 40 0.448 3.387 5.163 1.00 0.00 C ATOM 540 C TYR A 40 0.573 4.300 3.948 1.00 0.00 C ATOM 541 O TYR A 40 1.679 4.669 3.558 1.00 0.00 O ATOM 542 CB TYR A 40 0.880 1.965 4.796 1.00 0.00 C ATOM 543 CG TYR A 40 0.922 1.032 5.987 1.00 0.00 C ATOM 544 CD1 TYR A 40 1.803 1.259 7.036 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.069 -0.060 6.072 1.00 0.00 C ATOM 546 CE1 TYR A 40 1.835 0.423 8.133 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.093 -0.898 7.169 1.00 0.00 C ATOM 548 CZ TYR A 40 0.978 -0.653 8.195 1.00 0.00 C ATOM 549 OH TYR A 40 1.002 -1.483 9.289 1.00 0.00 O ATOM 0 H TYR A 40 -1.647 3.197 5.052 1.00 0.00 H new ATOM 0 HA TYR A 40 1.108 3.785 5.934 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.193 1.563 4.051 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.866 1.999 4.334 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.474 2.104 6.992 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.624 -0.257 5.268 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.529 0.612 8.939 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.579 -1.742 7.222 1.00 0.00 H new ATOM 0 HH TYR A 40 0.335 -2.192 9.176 1.00 0.00 H new ATOM 558 N ILE A 41 -0.550 4.679 3.367 1.00 0.00 N ATOM 559 CA ILE A 41 -0.548 5.534 2.192 1.00 0.00 C ATOM 560 C ILE A 41 -1.276 6.840 2.468 1.00 0.00 C ATOM 561 O ILE A 41 -2.257 6.868 3.217 1.00 0.00 O ATOM 562 CB ILE A 41 -1.199 4.814 1.002 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.249 3.749 0.461 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.597 5.799 -0.092 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.894 2.396 0.324 1.00 0.00 C ATOM 0 H ILE A 41 -1.479 4.408 3.690 1.00 0.00 H new ATOM 0 HA ILE A 41 0.489 5.761 1.945 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.112 4.329 1.347 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.126 4.066 -0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.612 3.669 1.124 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.055 5.258 -0.920 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.310 6.520 0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.711 6.325 -0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.166 1.684 -0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.245 2.060 1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.739 2.463 -0.362 1.00 0.00 H new ATOM 576 N GLY A 42 -0.780 7.921 1.881 1.00 0.00 N ATOM 577 CA GLY A 42 -1.396 9.211 2.076 1.00 0.00 C ATOM 578 C GLY A 42 -1.918 9.793 0.785 1.00 0.00 C ATOM 579 O GLY A 42 -1.776 9.188 -0.280 1.00 0.00 O ATOM 0 H GLY A 42 0.039 7.924 1.273 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.216 9.117 2.788 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.670 9.896 2.514 1.00 0.00 H new ATOM 583 N ASN A 43 -2.511 10.966 0.874 1.00 0.00 N ATOM 584 CA ASN A 43 -3.055 11.628 -0.298 1.00 0.00 C ATOM 585 C ASN A 43 -2.606 13.084 -0.349 1.00 0.00 C ATOM 586 O ASN A 43 -3.130 13.950 0.353 1.00 0.00 O ATOM 587 CB ASN A 43 -4.591 11.515 -0.359 1.00 0.00 C ATOM 588 CG ASN A 43 -5.308 12.080 0.857 1.00 0.00 C ATOM 589 OD1 ASN A 43 -4.900 11.867 1.997 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.376 12.824 0.615 1.00 0.00 N ATOM 0 H ASN A 43 -2.629 11.482 1.746 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.663 11.118 -1.178 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.947 12.033 -1.249 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.862 10.465 -0.471 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.891 13.244 1.389 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.684 12.978 -0.345 1.00 0.00 H new ATOM 596 N ASP A 44 -1.625 13.343 -1.198 1.00 0.00 N ATOM 597 CA ASP A 44 -1.074 14.677 -1.369 1.00 0.00 C ATOM 598 C ASP A 44 -1.559 15.277 -2.675 1.00 0.00 C ATOM 599 O ASP A 44 -1.360 14.688 -3.738 1.00 0.00 O ATOM 600 CB ASP A 44 0.456 14.621 -1.348 1.00 0.00 C ATOM 601 CG ASP A 44 1.100 15.888 -1.880 1.00 0.00 C ATOM 602 OD1 ASP A 44 0.825 16.976 -1.337 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.876 15.797 -2.856 1.00 0.00 O ATOM 0 H ASP A 44 -1.188 12.635 -1.788 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.413 15.307 -0.546 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.794 14.449 -0.326 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.792 13.771 -1.943 1.00 0.00 H new ATOM 607 N ASN A 45 -2.223 16.428 -2.587 1.00 0.00 N ATOM 608 CA ASN A 45 -2.746 17.120 -3.765 1.00 0.00 C ATOM 609 C ASN A 45 -3.743 16.228 -4.500 1.00 0.00 C ATOM 610 O ASN A 45 -3.849 16.265 -5.728 1.00 0.00 O ATOM 611 CB ASN A 45 -1.594 17.503 -4.699 1.00 0.00 C ATOM 612 CG ASN A 45 -1.933 18.617 -5.668 1.00 0.00 C ATOM 613 OD1 ASN A 45 -2.627 19.567 -5.325 1.00 0.00 O ATOM 614 ND2 ASN A 45 -1.439 18.504 -6.890 1.00 0.00 N ATOM 0 H ASN A 45 -2.413 16.905 -1.705 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.259 18.027 -3.444 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.737 17.806 -4.097 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.290 16.622 -5.265 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.632 19.224 -7.587 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.865 17.697 -7.136 1.00 0.00 H new ATOM 620 N GLY A 46 -4.458 15.403 -3.740 1.00 0.00 N ATOM 621 CA GLY A 46 -5.436 14.514 -4.330 1.00 0.00 C ATOM 622 C GLY A 46 -4.786 13.367 -5.072 1.00 0.00 C ATOM 623 O GLY A 46 -5.397 12.749 -5.940 1.00 0.00 O ATOM 0 H GLY A 46 -4.375 15.336 -2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.084 14.119 -3.548 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.070 15.076 -5.016 1.00 0.00 H new ATOM 627 N ARG A 47 -3.543 13.087 -4.727 1.00 0.00 N ATOM 628 CA ARG A 47 -2.791 12.021 -5.359 1.00 0.00 C ATOM 629 C ARG A 47 -2.334 11.014 -4.324 1.00 0.00 C ATOM 630 O ARG A 47 -2.225 11.338 -3.144 1.00 0.00 O ATOM 631 CB ARG A 47 -1.583 12.603 -6.079 1.00 0.00 C ATOM 632 CG ARG A 47 -1.649 12.450 -7.580 1.00 0.00 C ATOM 633 CD ARG A 47 -2.925 13.038 -8.159 1.00 0.00 C ATOM 634 NE ARG A 47 -3.009 14.483 -7.957 1.00 0.00 N ATOM 635 CZ ARG A 47 -3.091 15.364 -8.950 1.00 0.00 C ATOM 636 NH1 ARG A 47 -3.106 14.945 -10.208 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.162 16.658 -8.682 1.00 0.00 N ATOM 0 H ARG A 47 -3.029 13.590 -4.004 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.434 11.516 -6.080 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.497 13.661 -5.832 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.680 12.116 -5.711 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.787 12.940 -8.032 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.587 11.393 -7.839 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.973 12.819 -9.226 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.787 12.558 -7.696 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.004 14.836 -7.000 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.055 13.947 -10.414 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.169 15.620 -10.970 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.154 16.980 -7.714 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.225 17.334 -9.443 1.00 0.00 H new ATOM 648 N LEU A 48 -2.059 9.805 -4.776 1.00 0.00 N ATOM 649 CA LEU A 48 -1.621 8.741 -3.890 1.00 0.00 C ATOM 650 C LEU A 48 -0.132 8.861 -3.623 1.00 0.00 C ATOM 651 O LEU A 48 0.685 8.750 -4.539 1.00 0.00 O ATOM 652 CB LEU A 48 -1.942 7.379 -4.510 1.00 0.00 C ATOM 653 CG LEU A 48 -3.393 7.198 -4.950 1.00 0.00 C ATOM 654 CD1 LEU A 48 -3.637 5.770 -5.397 1.00 0.00 C ATOM 655 CD2 LEU A 48 -4.333 7.576 -3.822 1.00 0.00 C ATOM 0 H LEU A 48 -2.131 9.534 -5.757 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.152 8.829 -2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.294 7.228 -5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.697 6.601 -3.787 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.587 7.857 -5.796 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.676 5.658 -5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.981 5.534 -6.235 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.430 5.090 -4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.365 7.443 -4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.140 6.939 -2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.171 8.618 -3.547 1.00 0.00 H new ATOM 666 N GLU A 49 0.216 9.112 -2.373 1.00 0.00 N ATOM 667 CA GLU A 49 1.607 9.243 -1.988 1.00 0.00 C ATOM 668 C GLU A 49 2.049 7.969 -1.285 1.00 0.00 C ATOM 669 O GLU A 49 1.249 7.352 -0.580 1.00 0.00 O ATOM 670 CB GLU A 49 1.805 10.462 -1.076 1.00 0.00 C ATOM 671 CG GLU A 49 1.436 10.216 0.378 1.00 0.00 C ATOM 672 CD GLU A 49 1.545 11.461 1.232 1.00 0.00 C ATOM 673 OE1 GLU A 49 2.676 11.954 1.425 1.00 0.00 O ATOM 674 OE2 GLU A 49 0.500 11.941 1.719 1.00 0.00 O ATOM 0 H GLU A 49 -0.448 9.229 -1.608 1.00 0.00 H new ATOM 0 HA GLU A 49 2.216 9.394 -2.879 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.848 10.775 -1.127 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.205 11.289 -1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.416 9.834 0.429 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.087 9.443 0.787 1.00 0.00 H new ATOM 679 N TYR A 50 3.295 7.556 -1.512 1.00 0.00 N ATOM 680 CA TYR A 50 3.831 6.349 -0.905 1.00 0.00 C ATOM 681 C TYR A 50 3.547 6.258 0.495 1.00 0.00 C ATOM 682 O TYR A 50 2.699 5.443 0.862 1.00 0.00 O ATOM 683 CB TYR A 50 5.319 6.107 -1.177 1.00 0.00 C ATOM 684 CG TYR A 50 6.036 7.167 -2.009 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.646 7.450 -3.315 1.00 0.00 C ATOM 686 CD2 TYR A 50 7.120 7.869 -1.487 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.308 8.400 -4.070 1.00 0.00 C ATOM 688 CE2 TYR A 50 7.783 8.822 -2.236 1.00 0.00 C ATOM 689 CZ TYR A 50 7.374 9.084 -3.524 1.00 0.00 C ATOM 690 OH TYR A 50 8.035 10.032 -4.270 1.00 0.00 O ATOM 0 H TYR A 50 3.953 8.047 -2.117 1.00 0.00 H new ATOM 0 HA TYR A 50 3.297 5.545 -1.411 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.832 6.019 -0.219 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.423 5.147 -1.683 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.811 6.918 -3.746 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.448 7.665 -0.479 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.992 8.606 -5.082 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.619 9.359 -1.813 1.00 0.00 H new ATOM 0 HH TYR A 50 8.760 10.421 -3.737 1.00 0.00 H new ATOM 699 N PRO A 51 4.161 6.980 1.353 1.00 0.00 N ATOM 700 CA PRO A 51 3.802 6.735 2.623 1.00 0.00 C ATOM 701 C PRO A 51 3.023 7.856 3.241 1.00 0.00 C ATOM 702 O PRO A 51 3.459 9.009 3.317 1.00 0.00 O ATOM 703 CB PRO A 51 5.122 6.523 3.226 1.00 0.00 C ATOM 704 CG PRO A 51 5.994 7.563 2.566 1.00 0.00 C ATOM 705 CD PRO A 51 5.283 7.910 1.276 1.00 0.00 C ATOM 0 HA PRO A 51 3.114 5.900 2.753 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.093 6.654 4.308 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.490 5.515 3.037 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.110 8.441 3.201 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.994 7.175 2.373 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.961 8.951 1.243 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.906 7.741 0.397 1.00 0.00 H new ATOM 710 N GLY A 52 1.888 7.492 3.703 1.00 0.00 N ATOM 711 CA GLY A 52 1.005 8.451 4.271 1.00 0.00 C ATOM 712 C GLY A 52 0.121 7.882 5.344 1.00 0.00 C ATOM 713 O GLY A 52 0.399 6.814 5.892 1.00 0.00 O ATOM 0 H GLY A 52 1.542 6.533 3.702 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.590 9.271 4.688 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.382 8.873 3.482 1.00 0.00 H new ATOM 717 N GLU A 53 -0.960 8.591 5.624 1.00 0.00 N ATOM 718 CA GLU A 53 -1.910 8.182 6.644 1.00 0.00 C ATOM 719 C GLU A 53 -3.315 8.655 6.293 1.00 0.00 C ATOM 720 O GLU A 53 -3.504 9.775 5.809 1.00 0.00 O ATOM 721 CB GLU A 53 -1.502 8.738 8.016 1.00 0.00 C ATOM 722 CG GLU A 53 -0.262 8.081 8.599 1.00 0.00 C ATOM 723 CD GLU A 53 0.282 8.807 9.813 1.00 0.00 C ATOM 724 OE1 GLU A 53 -0.258 8.609 10.925 1.00 0.00 O ATOM 725 OE2 GLU A 53 1.258 9.571 9.661 1.00 0.00 O ATOM 0 H GLU A 53 -1.203 9.462 5.153 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.907 7.093 6.689 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.326 9.810 7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.331 8.609 8.711 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.498 7.053 8.874 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.512 8.036 7.833 1.00 0.00 H new ATOM 730 N SER A 54 -4.284 7.785 6.549 1.00 0.00 N ATOM 731 CA SER A 54 -5.699 8.037 6.307 1.00 0.00 C ATOM 732 C SER A 54 -5.991 8.603 4.913 1.00 0.00 C ATOM 733 O SER A 54 -6.657 9.629 4.778 1.00 0.00 O ATOM 734 CB SER A 54 -6.269 8.940 7.406 1.00 0.00 C ATOM 735 OG SER A 54 -5.524 10.139 7.551 1.00 0.00 O ATOM 0 H SER A 54 -4.103 6.861 6.941 1.00 0.00 H new ATOM 0 HA SER A 54 -6.201 7.070 6.339 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.306 9.184 7.173 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.273 8.400 8.353 1.00 0.00 H new ATOM 0 HG SER A 54 -4.956 10.269 6.763 1.00 0.00 H new ATOM 740 N PHE A 55 -5.496 7.937 3.868 1.00 0.00 N ATOM 741 CA PHE A 55 -5.761 8.386 2.506 1.00 0.00 C ATOM 742 C PHE A 55 -7.194 8.019 2.124 1.00 0.00 C ATOM 743 O PHE A 55 -7.915 8.817 1.540 1.00 0.00 O ATOM 744 CB PHE A 55 -4.766 7.774 1.502 1.00 0.00 C ATOM 745 CG PHE A 55 -5.093 6.373 1.055 1.00 0.00 C ATOM 746 CD1 PHE A 55 -4.825 5.286 1.870 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.669 6.147 -0.187 1.00 0.00 C ATOM 748 CE1 PHE A 55 -5.126 4.005 1.455 1.00 0.00 C ATOM 749 CE2 PHE A 55 -5.972 4.866 -0.604 1.00 0.00 C ATOM 750 CZ PHE A 55 -5.700 3.795 0.218 1.00 0.00 C ATOM 0 H PHE A 55 -4.919 7.099 3.939 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.635 9.468 2.469 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.717 8.417 0.624 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.773 7.773 1.952 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.376 5.442 2.840 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.883 6.984 -0.836 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.912 3.165 2.100 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.421 4.704 -1.573 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.936 2.792 -0.105 1.00 0.00 H new ATOM 759 N GLY A 56 -7.619 6.827 2.545 1.00 0.00 N ATOM 760 CA GLY A 56 -8.948 6.327 2.223 1.00 0.00 C ATOM 761 C GLY A 56 -10.046 7.213 2.759 1.00 0.00 C ATOM 762 O GLY A 56 -11.188 7.151 2.307 1.00 0.00 O ATOM 0 H GLY A 56 -7.057 6.191 3.111 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.049 6.244 1.141 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.064 5.323 2.632 1.00 0.00 H new ATOM 766 N SER A 57 -9.685 8.037 3.720 1.00 0.00 N ATOM 767 CA SER A 57 -10.603 8.962 4.342 1.00 0.00 C ATOM 768 C SER A 57 -11.017 10.060 3.357 1.00 0.00 C ATOM 769 O SER A 57 -12.071 10.678 3.506 1.00 0.00 O ATOM 770 CB SER A 57 -9.918 9.555 5.567 1.00 0.00 C ATOM 771 OG SER A 57 -9.527 8.526 6.465 1.00 0.00 O ATOM 0 H SER A 57 -8.737 8.082 4.093 1.00 0.00 H new ATOM 0 HA SER A 57 -11.513 8.443 4.643 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.044 10.129 5.260 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.594 10.247 6.070 1.00 0.00 H new ATOM 0 HG SER A 57 -9.542 8.870 7.383 1.00 0.00 H new ATOM 776 N SER A 58 -10.185 10.285 2.343 1.00 0.00 N ATOM 777 CA SER A 58 -10.459 11.296 1.331 1.00 0.00 C ATOM 778 C SER A 58 -10.185 10.741 -0.069 1.00 0.00 C ATOM 779 O SER A 58 -9.953 11.495 -1.016 1.00 0.00 O ATOM 780 CB SER A 58 -9.602 12.539 1.584 1.00 0.00 C ATOM 781 OG SER A 58 -9.759 13.008 2.916 1.00 0.00 O ATOM 0 H SER A 58 -9.312 9.777 2.202 1.00 0.00 H new ATOM 0 HA SER A 58 -11.511 11.574 1.393 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.554 12.305 1.399 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.881 13.326 0.883 1.00 0.00 H new ATOM 0 HG SER A 58 -9.200 13.801 3.052 1.00 0.00 H new ATOM 786 N CYS A 59 -10.216 9.417 -0.189 1.00 0.00 N ATOM 787 CA CYS A 59 -9.969 8.751 -1.458 1.00 0.00 C ATOM 788 C CYS A 59 -11.040 7.705 -1.732 1.00 0.00 C ATOM 789 O CYS A 59 -11.546 7.061 -0.808 1.00 0.00 O ATOM 790 CB CYS A 59 -8.597 8.081 -1.452 1.00 0.00 C ATOM 791 SG CYS A 59 -7.198 9.218 -1.194 1.00 0.00 S ATOM 0 H CYS A 59 -10.412 8.782 0.585 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.997 9.505 -2.244 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.581 7.323 -0.669 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.456 7.563 -2.400 1.00 0.00 H new ATOM 795 N VAL A 60 -11.385 7.546 -3.001 1.00 0.00 N ATOM 796 CA VAL A 60 -12.386 6.574 -3.418 1.00 0.00 C ATOM 797 C VAL A 60 -11.886 5.793 -4.628 1.00 0.00 C ATOM 798 O VAL A 60 -10.861 6.150 -5.211 1.00 0.00 O ATOM 799 CB VAL A 60 -13.730 7.248 -3.768 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.371 7.859 -2.529 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.533 8.305 -4.844 1.00 0.00 C ATOM 0 H VAL A 60 -10.982 8.084 -3.768 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.551 5.898 -2.579 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.403 6.482 -4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.316 8.328 -2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.553 7.078 -1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.703 8.609 -2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.491 8.769 -5.078 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.839 9.065 -4.485 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.127 7.839 -5.742 1.00 0.00 H new ATOM 811 N LYS A 61 -12.607 4.730 -4.993 1.00 0.00 N ATOM 812 CA LYS A 61 -12.248 3.886 -6.138 1.00 0.00 C ATOM 813 C LYS A 61 -10.940 3.145 -5.877 1.00 0.00 C ATOM 814 O LYS A 61 -10.128 2.958 -6.783 1.00 0.00 O ATOM 815 CB LYS A 61 -12.147 4.708 -7.435 1.00 0.00 C ATOM 816 CG LYS A 61 -13.478 4.914 -8.156 1.00 0.00 C ATOM 817 CD LYS A 61 -14.479 5.693 -7.320 1.00 0.00 C ATOM 818 CE LYS A 61 -15.812 5.828 -8.040 1.00 0.00 C ATOM 819 NZ LYS A 61 -16.810 6.569 -7.229 1.00 0.00 N ATOM 0 H LYS A 61 -13.452 4.430 -4.507 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.045 3.153 -6.266 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.720 5.683 -7.201 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.453 4.211 -8.113 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.302 5.443 -9.092 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.902 3.943 -8.413 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.628 5.190 -6.365 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.080 6.683 -7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -15.661 6.343 -8.988 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.199 4.836 -8.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.704 6.638 -7.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.974 6.064 -6.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.453 7.524 -7.027 1.00 0.00 H new ATOM 829 N THR A 62 -10.756 2.729 -4.631 1.00 0.00 N ATOM 830 CA THR A 62 -9.560 2.003 -4.224 1.00 0.00 C ATOM 831 C THR A 62 -9.488 0.626 -4.883 1.00 0.00 C ATOM 832 O THR A 62 -10.348 -0.228 -4.658 1.00 0.00 O ATOM 833 CB THR A 62 -9.516 1.834 -2.693 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.847 1.726 -2.168 1.00 0.00 O ATOM 835 CG2 THR A 62 -8.806 2.996 -2.024 1.00 0.00 C ATOM 0 H THR A 62 -11.427 2.884 -3.878 1.00 0.00 H new ATOM 0 HA THR A 62 -8.703 2.592 -4.550 1.00 0.00 H new ATOM 0 HB THR A 62 -8.959 0.921 -2.480 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.828 1.863 -1.198 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.794 2.843 -0.945 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.782 3.058 -2.393 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.331 3.924 -2.253 1.00 0.00 H new ATOM 843 N ALA A 63 -8.457 0.418 -5.692 1.00 0.00 N ATOM 844 CA ALA A 63 -8.266 -0.850 -6.382 1.00 0.00 C ATOM 845 C ALA A 63 -6.785 -1.098 -6.628 1.00 0.00 C ATOM 846 O ALA A 63 -5.978 -0.173 -6.577 1.00 0.00 O ATOM 847 CB ALA A 63 -9.034 -0.863 -7.695 1.00 0.00 C ATOM 0 H ALA A 63 -7.738 1.115 -5.887 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.652 -1.651 -5.751 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.880 -1.818 -8.197 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.097 -0.725 -7.496 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.676 -0.055 -8.334 1.00 0.00 H new ATOM 853 N LEU A 64 -6.430 -2.345 -6.889 1.00 0.00 N ATOM 854 CA LEU A 64 -5.042 -2.705 -7.128 1.00 0.00 C ATOM 855 C LEU A 64 -4.834 -3.128 -8.578 1.00 0.00 C ATOM 856 O LEU A 64 -5.522 -4.017 -9.082 1.00 0.00 O ATOM 857 CB LEU A 64 -4.628 -3.826 -6.167 1.00 0.00 C ATOM 858 CG LEU A 64 -3.473 -3.487 -5.215 1.00 0.00 C ATOM 859 CD1 LEU A 64 -2.151 -3.507 -5.953 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.687 -2.125 -4.574 1.00 0.00 C ATOM 0 H LEU A 64 -7.084 -3.126 -6.941 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.414 -1.833 -6.945 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.496 -4.109 -5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.347 -4.700 -6.755 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.450 -4.243 -4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.344 -3.264 -5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.983 -4.499 -6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.172 -2.772 -6.758 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.857 -1.904 -3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.739 -1.362 -5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.619 -2.131 -4.009 1.00 0.00 H new ATOM 871 N ASN A 65 -3.908 -2.460 -9.252 1.00 0.00 N ATOM 872 CA ASN A 65 -3.594 -2.767 -10.637 1.00 0.00 C ATOM 873 C ASN A 65 -2.405 -3.706 -10.699 1.00 0.00 C ATOM 874 O ASN A 65 -1.364 -3.436 -10.091 1.00 0.00 O ATOM 875 CB ASN A 65 -3.255 -1.496 -11.412 1.00 0.00 C ATOM 876 CG ASN A 65 -3.605 -1.603 -12.885 1.00 0.00 C ATOM 877 OD1 ASN A 65 -4.725 -1.288 -13.292 1.00 0.00 O ATOM 878 ND2 ASN A 65 -2.650 -2.026 -13.700 1.00 0.00 N ATOM 0 H ASN A 65 -3.359 -1.697 -8.857 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.469 -3.237 -11.085 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.791 -0.654 -10.975 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.191 -1.284 -11.309 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.830 -2.100 -14.701 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.735 -2.278 -13.326 1.00 0.00 H new ATOM 884 N ASP A 66 -2.581 -4.809 -11.413 1.00 0.00 N ATOM 885 CA ASP A 66 -1.542 -5.826 -11.606 1.00 0.00 C ATOM 886 C ASP A 66 -0.941 -6.302 -10.277 1.00 0.00 C ATOM 887 O ASP A 66 0.186 -6.795 -10.229 1.00 0.00 O ATOM 888 CB ASP A 66 -0.453 -5.273 -12.530 1.00 0.00 C ATOM 889 CG ASP A 66 0.398 -6.360 -13.151 1.00 0.00 C ATOM 890 OD1 ASP A 66 -0.144 -7.154 -13.947 1.00 0.00 O ATOM 891 OD2 ASP A 66 1.606 -6.427 -12.846 1.00 0.00 O ATOM 0 H ASP A 66 -3.459 -5.031 -11.883 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.004 -6.698 -12.068 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.918 -4.686 -13.322 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.187 -4.595 -11.965 1.00 0.00 H new ATOM 895 N GLY A 67 -1.713 -6.157 -9.208 1.00 0.00 N ATOM 896 CA GLY A 67 -1.276 -6.569 -7.884 1.00 0.00 C ATOM 897 C GLY A 67 0.026 -5.930 -7.434 1.00 0.00 C ATOM 898 O GLY A 67 0.840 -6.583 -6.790 1.00 0.00 O ATOM 0 H GLY A 67 -2.650 -5.755 -9.234 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.056 -6.325 -7.163 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.159 -7.653 -7.872 1.00 0.00 H new ATOM 902 N HIS A 68 0.227 -4.656 -7.753 1.00 0.00 N ATOM 903 CA HIS A 68 1.454 -3.965 -7.350 1.00 0.00 C ATOM 904 C HIS A 68 1.239 -2.458 -7.217 1.00 0.00 C ATOM 905 O HIS A 68 1.920 -1.789 -6.442 1.00 0.00 O ATOM 906 CB HIS A 68 2.595 -4.251 -8.345 1.00 0.00 C ATOM 907 CG HIS A 68 2.526 -3.488 -9.641 1.00 0.00 C ATOM 908 ND1 HIS A 68 3.587 -2.759 -10.133 1.00 0.00 N ATOM 909 CD2 HIS A 68 1.533 -3.359 -10.556 1.00 0.00 C ATOM 910 CE1 HIS A 68 3.254 -2.222 -11.291 1.00 0.00 C ATOM 911 NE2 HIS A 68 2.014 -2.573 -11.568 1.00 0.00 N ATOM 0 H HIS A 68 -0.432 -4.084 -8.282 1.00 0.00 H new ATOM 0 HA HIS A 68 1.734 -4.351 -6.370 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.544 -4.024 -7.859 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.599 -5.317 -8.570 1.00 0.00 H new ATOM 0 HD1 HIS A 68 4.491 -2.651 -9.673 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.547 -3.795 -10.497 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.888 -1.601 -11.906 1.00 0.00 H new ATOM 919 N THR A 69 0.291 -1.932 -7.970 1.00 0.00 N ATOM 920 CA THR A 69 0.002 -0.514 -7.956 1.00 0.00 C ATOM 921 C THR A 69 -1.399 -0.230 -7.430 1.00 0.00 C ATOM 922 O THR A 69 -2.364 -0.836 -7.869 1.00 0.00 O ATOM 923 CB THR A 69 0.137 0.049 -9.381 1.00 0.00 C ATOM 924 OG1 THR A 69 1.518 0.086 -9.762 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.490 1.428 -9.499 1.00 0.00 C ATOM 0 H THR A 69 -0.296 -2.474 -8.604 1.00 0.00 H new ATOM 0 HA THR A 69 0.716 -0.031 -7.289 1.00 0.00 H new ATOM 0 HB THR A 69 -0.402 -0.612 -10.060 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.597 0.444 -10.671 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.375 1.794 -10.519 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.550 1.368 -9.252 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.005 2.113 -8.810 1.00 0.00 H new ATOM 933 N LEU A 70 -1.504 0.686 -6.486 1.00 0.00 N ATOM 934 CA LEU A 70 -2.802 1.058 -5.935 1.00 0.00 C ATOM 935 C LEU A 70 -3.376 2.214 -6.737 1.00 0.00 C ATOM 936 O LEU A 70 -2.651 3.116 -7.130 1.00 0.00 O ATOM 937 CB LEU A 70 -2.678 1.445 -4.455 1.00 0.00 C ATOM 938 CG LEU A 70 -3.838 2.260 -3.868 1.00 0.00 C ATOM 939 CD1 LEU A 70 -5.125 1.448 -3.847 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.487 2.738 -2.468 1.00 0.00 C ATOM 0 H LEU A 70 -0.712 1.187 -6.083 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.473 0.201 -6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.571 0.532 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.759 2.016 -4.326 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.001 3.128 -4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.929 2.051 -3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.386 1.154 -4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.983 0.556 -3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.318 3.315 -2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.295 1.877 -1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.596 3.365 -2.510 1.00 0.00 H new ATOM 951 N THR A 71 -4.664 2.167 -7.006 1.00 0.00 N ATOM 952 CA THR A 71 -5.320 3.219 -7.753 1.00 0.00 C ATOM 953 C THR A 71 -6.508 3.757 -6.987 1.00 0.00 C ATOM 954 O THR A 71 -7.304 2.988 -6.448 1.00 0.00 O ATOM 955 CB THR A 71 -5.782 2.736 -9.134 1.00 0.00 C ATOM 956 OG1 THR A 71 -6.100 1.337 -9.094 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.712 3.006 -10.173 1.00 0.00 C ATOM 0 H THR A 71 -5.280 1.407 -6.717 1.00 0.00 H new ATOM 0 HA THR A 71 -4.587 4.013 -7.895 1.00 0.00 H new ATOM 0 HB THR A 71 -6.681 3.287 -9.411 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.486 1.114 -8.221 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.055 2.658 -11.147 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.512 4.077 -10.220 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.798 2.478 -9.900 1.00 0.00 H new ATOM 965 N ALA A 72 -6.601 5.072 -6.915 1.00 0.00 N ATOM 966 CA ALA A 72 -7.701 5.721 -6.219 1.00 0.00 C ATOM 967 C ALA A 72 -7.793 7.192 -6.591 1.00 0.00 C ATOM 968 O ALA A 72 -6.832 7.781 -7.088 1.00 0.00 O ATOM 969 CB ALA A 72 -7.549 5.572 -4.711 1.00 0.00 C ATOM 0 H ALA A 72 -5.927 5.715 -7.331 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.623 5.230 -6.529 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.383 6.065 -4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.543 4.514 -4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.613 6.030 -4.393 1.00 0.00 H new ATOM 975 N SER A 73 -8.959 7.768 -6.361 1.00 0.00 N ATOM 976 CA SER A 73 -9.203 9.172 -6.646 1.00 0.00 C ATOM 977 C SER A 73 -9.278 9.924 -5.322 1.00 0.00 C ATOM 978 O SER A 73 -10.091 9.583 -4.459 1.00 0.00 O ATOM 979 CB SER A 73 -10.506 9.331 -7.437 1.00 0.00 C ATOM 980 OG SER A 73 -10.673 10.659 -7.899 1.00 0.00 O ATOM 0 H SER A 73 -9.764 7.277 -5.972 1.00 0.00 H new ATOM 0 HA SER A 73 -8.394 9.580 -7.252 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.504 8.647 -8.286 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.352 9.055 -6.807 1.00 0.00 H new ATOM 0 HG SER A 73 -11.627 10.883 -7.912 1.00 0.00 H new ATOM 985 N CYS A 74 -8.435 10.932 -5.151 1.00 0.00 N ATOM 986 CA CYS A 74 -8.401 11.682 -3.901 1.00 0.00 C ATOM 987 C CYS A 74 -8.593 13.170 -4.115 1.00 0.00 C ATOM 988 O CYS A 74 -8.297 13.702 -5.185 1.00 0.00 O ATOM 989 CB CYS A 74 -7.065 11.453 -3.211 1.00 0.00 C ATOM 990 SG CYS A 74 -6.609 9.702 -3.066 1.00 0.00 S ATOM 0 H CYS A 74 -7.769 11.249 -5.856 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.225 11.323 -3.284 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.286 11.978 -3.764 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.100 11.894 -2.215 1.00 0.00 H new ATOM 994 N LYS A 75 -9.082 13.834 -3.081 1.00 0.00 N ATOM 995 CA LYS A 75 -9.298 15.270 -3.115 1.00 0.00 C ATOM 996 C LYS A 75 -8.113 15.978 -2.459 1.00 0.00 C ATOM 997 O LYS A 75 -7.506 15.445 -1.531 1.00 0.00 O ATOM 998 CB LYS A 75 -10.619 15.619 -2.402 1.00 0.00 C ATOM 999 CG LYS A 75 -10.832 17.108 -2.160 1.00 0.00 C ATOM 1000 CD LYS A 75 -10.247 17.542 -0.823 1.00 0.00 C ATOM 1001 CE LYS A 75 -9.981 19.036 -0.783 1.00 0.00 C ATOM 1002 NZ LYS A 75 -9.359 19.451 0.501 1.00 0.00 N ATOM 0 H LYS A 75 -9.340 13.394 -2.197 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.374 15.608 -4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.450 15.238 -2.996 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.648 15.100 -1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.368 17.679 -2.964 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.898 17.333 -2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.935 17.274 -0.021 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.318 17.002 -0.640 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.326 19.311 -1.610 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.917 19.576 -0.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.193 20.478 0.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.995 19.211 1.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.453 18.955 0.624 1.00 0.00 H new ATOM 1012 N GLY A 76 -7.767 17.162 -2.958 1.00 0.00 N ATOM 1013 CA GLY A 76 -6.665 17.909 -2.376 1.00 0.00 C ATOM 1014 C GLY A 76 -6.006 18.851 -3.361 1.00 0.00 C ATOM 1015 O GLY A 76 -5.487 19.896 -2.976 1.00 0.00 O ATOM 0 H GLY A 76 -8.226 17.615 -3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.031 18.481 -1.523 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.920 17.210 -1.995 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.015 18.462 -4.630 1.00 0.00 N ATOM 1020 CA ALA A 77 -5.419 19.258 -5.698 1.00 0.00 C ATOM 1021 C ALA A 77 -5.938 20.691 -5.706 1.00 0.00 C ATOM 1022 O ALA A 77 -5.166 21.635 -5.873 1.00 0.00 O ATOM 1023 CB ALA A 77 -5.669 18.595 -7.041 1.00 0.00 C ATOM 0 H ALA A 77 -6.434 17.588 -4.948 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.346 19.307 -5.513 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.221 19.196 -7.832 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.224 17.600 -7.044 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.742 18.512 -7.212 1.00 0.00 H new ATOM 1029 N ASP A 78 -7.240 20.844 -5.513 1.00 0.00 N ATOM 1030 CA ASP A 78 -7.871 22.164 -5.495 1.00 0.00 C ATOM 1031 C ASP A 78 -9.336 22.015 -5.116 1.00 0.00 C ATOM 1032 O ASP A 78 -10.227 22.417 -5.859 1.00 0.00 O ATOM 1033 CB ASP A 78 -7.746 22.851 -6.865 1.00 0.00 C ATOM 1034 CG ASP A 78 -8.081 24.332 -6.817 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -7.209 25.130 -6.403 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -9.204 24.711 -7.206 1.00 0.00 O ATOM 0 H ASP A 78 -7.886 20.069 -5.366 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.363 22.787 -4.759 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.729 22.726 -7.237 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.409 22.357 -7.575 1.00 0.00 H new ATOM 1040 N GLY A 79 -9.579 21.391 -3.968 1.00 0.00 N ATOM 1041 CA GLY A 79 -10.943 21.176 -3.510 1.00 0.00 C ATOM 1042 C GLY A 79 -11.677 20.197 -4.399 1.00 0.00 C ATOM 1043 O GLY A 79 -12.890 20.034 -4.303 1.00 0.00 O ATOM 0 H GLY A 79 -8.857 21.030 -3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.930 20.801 -2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.477 22.126 -3.494 1.00 0.00 H new ATOM 1047 N GLN A 80 -10.920 19.545 -5.263 1.00 0.00 N ATOM 1048 CA GLN A 80 -11.459 18.579 -6.195 1.00 0.00 C ATOM 1049 C GLN A 80 -10.643 17.302 -6.130 1.00 0.00 C ATOM 1050 O GLN A 80 -9.510 17.305 -5.633 1.00 0.00 O ATOM 1051 CB GLN A 80 -11.435 19.159 -7.610 1.00 0.00 C ATOM 1052 CG GLN A 80 -10.041 19.535 -8.090 1.00 0.00 C ATOM 1053 CD GLN A 80 -10.060 20.381 -9.349 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -10.993 21.148 -9.579 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -9.037 20.250 -10.174 1.00 0.00 N ATOM 0 H GLN A 80 -9.911 19.673 -5.336 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.491 18.350 -5.930 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -11.864 18.432 -8.299 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.072 20.043 -7.642 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.524 20.080 -7.300 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.469 18.626 -8.277 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.281 19.603 -9.950 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.003 20.795 -11.035 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.220 16.221 -6.617 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.551 14.931 -6.613 1.00 0.00 C ATOM 1064 C TYR A 81 -9.876 14.678 -7.957 1.00 0.00 C ATOM 1065 O TYR A 81 -10.113 15.401 -8.925 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.554 13.815 -6.301 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.703 13.753 -7.281 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.597 13.022 -8.452 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -13.884 14.444 -7.042 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -13.628 12.978 -9.362 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -14.925 14.403 -7.946 1.00 0.00 C ATOM 1072 CZ TYR A 81 -14.791 13.669 -9.106 1.00 0.00 C ATOM 1073 OH TYR A 81 -15.821 13.637 -10.017 1.00 0.00 O ATOM 0 H TYR A 81 -12.156 16.209 -7.023 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.785 14.938 -5.838 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.033 12.857 -6.301 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -11.950 13.962 -5.296 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.688 12.476 -8.655 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -13.989 15.022 -6.135 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.526 12.405 -10.272 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -15.839 14.942 -7.747 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.569 14.175 -9.684 1.00 0.00 H new ATOM 1082 N HIS A 82 -9.040 13.653 -8.011 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.341 13.295 -9.232 1.00 0.00 C ATOM 1084 C HIS A 82 -7.895 11.848 -9.141 1.00 0.00 C ATOM 1085 O HIS A 82 -7.403 11.409 -8.101 1.00 0.00 O ATOM 1086 CB HIS A 82 -7.128 14.203 -9.456 1.00 0.00 C ATOM 1087 CG HIS A 82 -6.940 14.603 -10.885 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -5.924 14.120 -11.682 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -7.641 15.465 -11.658 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -6.010 14.665 -12.881 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -7.042 15.484 -12.891 1.00 0.00 N ATOM 0 H HIS A 82 -8.829 13.051 -7.215 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.018 13.423 -10.077 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.238 15.100 -8.847 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.231 13.690 -9.109 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -8.510 16.032 -11.359 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -5.348 14.472 -13.712 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -7.346 16.043 -13.688 1.00 0.00 H new ATOM 1099 N ASP A 83 -8.079 11.110 -10.221 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.703 9.704 -10.258 1.00 0.00 C ATOM 1101 C ASP A 83 -6.190 9.573 -10.304 1.00 0.00 C ATOM 1102 O ASP A 83 -5.534 10.173 -11.157 1.00 0.00 O ATOM 1103 CB ASP A 83 -8.329 9.013 -11.468 1.00 0.00 C ATOM 1104 CG ASP A 83 -9.840 9.062 -11.449 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -10.412 10.099 -11.849 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -10.466 8.061 -11.046 1.00 0.00 O ATOM 0 H ASP A 83 -8.488 11.460 -11.088 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.074 9.220 -9.355 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.965 9.486 -12.380 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.003 7.973 -11.497 1.00 0.00 H new ATOM 1110 N SER A 84 -5.638 8.798 -9.390 1.00 0.00 N ATOM 1111 CA SER A 84 -4.202 8.616 -9.318 1.00 0.00 C ATOM 1112 C SER A 84 -3.849 7.172 -8.987 1.00 0.00 C ATOM 1113 O SER A 84 -4.721 6.358 -8.677 1.00 0.00 O ATOM 1114 CB SER A 84 -3.628 9.558 -8.253 1.00 0.00 C ATOM 1115 OG SER A 84 -2.212 9.486 -8.194 1.00 0.00 O ATOM 0 H SER A 84 -6.165 8.283 -8.685 1.00 0.00 H new ATOM 0 HA SER A 84 -3.768 8.851 -10.290 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.931 10.582 -8.472 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.046 9.303 -7.279 1.00 0.00 H new ATOM 0 HG SER A 84 -1.835 9.737 -9.063 1.00 0.00 H new ATOM 1120 N SER A 85 -2.566 6.865 -9.064 1.00 0.00 N ATOM 1121 CA SER A 85 -2.076 5.540 -8.763 1.00 0.00 C ATOM 1122 C SER A 85 -0.787 5.647 -7.969 1.00 0.00 C ATOM 1123 O SER A 85 -0.098 6.665 -8.026 1.00 0.00 O ATOM 1124 CB SER A 85 -1.820 4.738 -10.030 1.00 0.00 C ATOM 1125 OG SER A 85 -2.488 5.299 -11.154 1.00 0.00 O ATOM 0 H SER A 85 -1.840 7.528 -9.336 1.00 0.00 H new ATOM 0 HA SER A 85 -2.838 5.022 -8.181 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.748 4.700 -10.226 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.154 3.711 -9.884 1.00 0.00 H new ATOM 0 HG SER A 85 -2.299 4.759 -11.950 1.00 0.00 H new ATOM 1130 N MET A 86 -0.458 4.595 -7.253 1.00 0.00 N ATOM 1131 CA MET A 86 0.733 4.568 -6.440 1.00 0.00 C ATOM 1132 C MET A 86 1.387 3.198 -6.492 1.00 0.00 C ATOM 1133 O MET A 86 0.750 2.191 -6.188 1.00 0.00 O ATOM 1134 CB MET A 86 0.380 4.894 -4.993 1.00 0.00 C ATOM 1135 CG MET A 86 1.565 4.839 -4.040 1.00 0.00 C ATOM 1136 SD MET A 86 2.634 6.294 -4.145 1.00 0.00 S ATOM 1137 CE MET A 86 3.340 6.175 -5.787 1.00 0.00 C ATOM 0 H MET A 86 -1.008 3.737 -7.219 1.00 0.00 H new ATOM 0 HA MET A 86 1.429 5.311 -6.830 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.060 5.891 -4.953 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.382 4.195 -4.649 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.197 4.740 -3.019 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.154 3.947 -4.255 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.174 6.872 -5.876 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.696 5.159 -5.957 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.580 6.422 -6.529 1.00 0.00 H new ATOM 1145 N ASP A 87 2.643 3.158 -6.898 1.00 0.00 N ATOM 1146 CA ASP A 87 3.378 1.913 -6.946 1.00 0.00 C ATOM 1147 C ASP A 87 3.726 1.502 -5.526 1.00 0.00 C ATOM 1148 O ASP A 87 4.612 2.082 -4.898 1.00 0.00 O ATOM 1149 CB ASP A 87 4.658 2.075 -7.767 1.00 0.00 C ATOM 1150 CG ASP A 87 4.404 2.566 -9.176 1.00 0.00 C ATOM 1151 OD1 ASP A 87 4.118 3.770 -9.344 1.00 0.00 O ATOM 1152 OD2 ASP A 87 4.518 1.760 -10.121 1.00 0.00 O ATOM 0 H ASP A 87 3.173 3.976 -7.199 1.00 0.00 H new ATOM 0 HA ASP A 87 2.764 1.147 -7.420 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.322 2.775 -7.259 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.178 1.118 -7.811 1.00 0.00 H new ATOM 1156 N LEU A 88 3.026 0.502 -5.023 1.00 0.00 N ATOM 1157 CA LEU A 88 3.240 0.014 -3.668 1.00 0.00 C ATOM 1158 C LEU A 88 4.509 -0.810 -3.608 1.00 0.00 C ATOM 1159 O LEU A 88 4.957 -1.200 -2.532 1.00 0.00 O ATOM 1160 CB LEU A 88 2.049 -0.825 -3.210 1.00 0.00 C ATOM 1161 CG LEU A 88 0.672 -0.228 -3.504 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.423 -1.134 -2.965 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.552 1.166 -2.902 1.00 0.00 C ATOM 0 H LEU A 88 2.297 0.006 -5.536 1.00 0.00 H new ATOM 0 HA LEU A 88 3.340 0.870 -3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.111 -1.803 -3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.133 -0.988 -2.136 1.00 0.00 H new ATOM 0 HG LEU A 88 0.556 -0.146 -4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.397 -0.696 -3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.352 -2.113 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.306 -1.244 -1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.435 1.574 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.688 1.109 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.316 1.814 -3.330 1.00 0.00 H new ATOM 1174 N ASN A 89 5.065 -1.087 -4.777 1.00 0.00 N ATOM 1175 CA ASN A 89 6.302 -1.861 -4.900 1.00 0.00 C ATOM 1176 C ASN A 89 7.390 -1.369 -3.939 1.00 0.00 C ATOM 1177 O ASN A 89 8.220 -2.152 -3.478 1.00 0.00 O ATOM 1178 CB ASN A 89 6.814 -1.812 -6.340 1.00 0.00 C ATOM 1179 CG ASN A 89 5.938 -2.606 -7.288 1.00 0.00 C ATOM 1180 OD1 ASN A 89 5.000 -2.070 -7.876 1.00 0.00 O ATOM 1181 ND2 ASN A 89 6.237 -3.889 -7.439 1.00 0.00 N ATOM 0 H ASN A 89 4.676 -0.784 -5.670 1.00 0.00 H new ATOM 0 HA ASN A 89 6.068 -2.891 -4.630 1.00 0.00 H new ATOM 0 HB2 ASN A 89 6.859 -0.775 -6.672 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.831 -2.202 -6.375 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.680 -4.473 -8.063 1.00 0.00 H new ATOM 0 HD22 ASN A 89 7.024 -4.292 -6.931 1.00 0.00 H new ATOM 1187 N TYR A 90 7.371 -0.080 -3.615 1.00 0.00 N ATOM 1188 CA TYR A 90 8.360 0.479 -2.703 1.00 0.00 C ATOM 1189 C TYR A 90 7.697 1.045 -1.450 1.00 0.00 C ATOM 1190 O TYR A 90 8.262 1.899 -0.764 1.00 0.00 O ATOM 1191 CB TYR A 90 9.225 1.543 -3.396 1.00 0.00 C ATOM 1192 CG TYR A 90 8.456 2.541 -4.235 1.00 0.00 C ATOM 1193 CD1 TYR A 90 7.890 3.676 -3.668 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.309 2.351 -5.602 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.198 4.587 -4.440 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.621 3.260 -6.378 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.069 4.375 -5.792 1.00 0.00 C ATOM 1198 OH TYR A 90 6.383 5.280 -6.563 1.00 0.00 O ATOM 0 H TYR A 90 6.688 0.591 -3.967 1.00 0.00 H new ATOM 0 HA TYR A 90 9.018 -0.334 -2.397 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.786 2.086 -2.636 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.954 1.040 -4.032 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.993 3.848 -2.607 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.741 1.476 -6.066 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.760 5.462 -3.984 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.516 3.097 -7.440 1.00 0.00 H new ATOM 0 HH TYR A 90 6.385 4.982 -7.497 1.00 0.00 H new ATOM 1207 N VAL A 91 6.483 0.578 -1.167 1.00 0.00 N ATOM 1208 CA VAL A 91 5.759 1.018 0.019 1.00 0.00 C ATOM 1209 C VAL A 91 5.246 -0.184 0.819 1.00 0.00 C ATOM 1210 O VAL A 91 4.779 -0.041 1.949 1.00 0.00 O ATOM 1211 CB VAL A 91 4.595 1.993 -0.315 1.00 0.00 C ATOM 1212 CG1 VAL A 91 4.941 2.884 -1.480 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.278 1.301 -0.573 1.00 0.00 C ATOM 0 H VAL A 91 5.984 -0.102 -1.741 1.00 0.00 H new ATOM 0 HA VAL A 91 6.469 1.574 0.632 1.00 0.00 H new ATOM 0 HB VAL A 91 4.465 2.600 0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.106 3.553 -1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.826 3.472 -1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.142 2.272 -2.359 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.514 2.045 -0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.384 0.621 -1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.984 0.737 0.312 1.00 0.00 H new ATOM 1223 N VAL A 92 5.356 -1.371 0.228 1.00 0.00 N ATOM 1224 CA VAL A 92 4.921 -2.603 0.873 1.00 0.00 C ATOM 1225 C VAL A 92 5.726 -3.792 0.349 1.00 0.00 C ATOM 1226 O VAL A 92 6.090 -3.838 -0.831 1.00 0.00 O ATOM 1227 CB VAL A 92 3.411 -2.860 0.658 1.00 0.00 C ATOM 1228 CG1 VAL A 92 3.091 -3.083 -0.804 1.00 0.00 C ATOM 1229 CG2 VAL A 92 2.917 -4.026 1.504 1.00 0.00 C ATOM 0 H VAL A 92 5.747 -1.504 -0.705 1.00 0.00 H new ATOM 0 HA VAL A 92 5.096 -2.489 1.943 1.00 0.00 H new ATOM 0 HB VAL A 92 2.883 -1.964 0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.022 -3.261 -0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.376 -2.201 -1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.644 -3.948 -1.170 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.852 -4.178 1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.462 -4.930 1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.082 -3.806 2.559 1.00 0.00 H new ATOM 1239 N GLY A 93 6.019 -4.738 1.228 1.00 0.00 N ATOM 1240 CA GLY A 93 6.770 -5.906 0.834 1.00 0.00 C ATOM 1241 C GLY A 93 6.352 -7.135 1.600 1.00 0.00 C ATOM 1242 O GLY A 93 5.592 -7.047 2.569 1.00 0.00 O ATOM 0 H GLY A 93 5.748 -4.715 2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.634 -6.081 -0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.833 -5.724 0.994 1.00 0.00 H new ATOM 1246 N ASN A 94 6.833 -8.283 1.161 1.00 0.00 N ATOM 1247 CA ASN A 94 6.519 -9.536 1.822 1.00 0.00 C ATOM 1248 C ASN A 94 7.670 -9.950 2.715 1.00 0.00 C ATOM 1249 O ASN A 94 8.828 -9.938 2.295 1.00 0.00 O ATOM 1250 CB ASN A 94 6.254 -10.651 0.809 1.00 0.00 C ATOM 1251 CG ASN A 94 6.032 -11.993 1.492 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.414 -12.075 2.552 1.00 0.00 O ATOM 1253 ND2 ASN A 94 6.579 -13.048 0.915 1.00 0.00 N ATOM 0 H ASN A 94 7.443 -8.374 0.349 1.00 0.00 H new ATOM 0 HA ASN A 94 5.618 -9.380 2.415 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.379 -10.398 0.211 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.098 -10.727 0.123 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.496 -13.967 1.349 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.085 -12.943 0.035 1.00 0.00 H new ATOM 1259 N SER A 95 7.361 -10.296 3.944 1.00 0.00 N ATOM 1260 CA SER A 95 8.370 -10.726 4.875 1.00 0.00 C ATOM 1261 C SER A 95 7.878 -11.906 5.685 1.00 0.00 C ATOM 1262 O SER A 95 7.177 -11.735 6.680 1.00 0.00 O ATOM 1263 CB SER A 95 8.751 -9.576 5.791 1.00 0.00 C ATOM 1264 OG SER A 95 9.387 -8.542 5.059 1.00 0.00 O ATOM 0 H SER A 95 6.413 -10.287 4.320 1.00 0.00 H new ATOM 0 HA SER A 95 9.252 -11.040 4.317 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.860 -9.185 6.282 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.417 -9.935 6.576 1.00 0.00 H new ATOM 0 HG SER A 95 9.623 -7.810 5.666 1.00 0.00 H new ATOM 1269 N TYR A 96 8.225 -13.103 5.219 1.00 0.00 N ATOM 1270 CA TYR A 96 7.857 -14.341 5.897 1.00 0.00 C ATOM 1271 C TYR A 96 6.345 -14.522 5.944 1.00 0.00 C ATOM 1272 O TYR A 96 5.783 -14.899 6.973 1.00 0.00 O ATOM 1273 CB TYR A 96 8.454 -14.350 7.307 1.00 0.00 C ATOM 1274 CG TYR A 96 9.951 -14.124 7.303 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.792 -14.924 6.539 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.519 -13.092 8.038 1.00 0.00 C ATOM 1277 CE1 TYR A 96 12.153 -14.701 6.506 1.00 0.00 C ATOM 1278 CE2 TYR A 96 11.883 -12.865 8.015 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.695 -13.671 7.245 1.00 0.00 C ATOM 1280 OH TYR A 96 14.055 -13.442 7.203 1.00 0.00 O ATOM 0 H TYR A 96 8.766 -13.241 4.365 1.00 0.00 H new ATOM 0 HA TYR A 96 8.263 -15.180 5.333 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.974 -13.576 7.906 1.00 0.00 H new ATOM 0 HB3 TYR A 96 8.235 -15.305 7.785 1.00 0.00 H new ATOM 0 HD1 TYR A 96 10.373 -15.734 5.961 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.885 -12.456 8.638 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.791 -15.331 5.904 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.310 -12.061 8.597 1.00 0.00 H new ATOM 0 HH TYR A 96 14.276 -12.680 7.778 1.00 0.00 H new ATOM 1289 N GLY A 97 5.696 -14.267 4.806 1.00 0.00 N ATOM 1290 CA GLY A 97 4.252 -14.398 4.712 1.00 0.00 C ATOM 1291 C GLY A 97 3.527 -13.504 5.695 1.00 0.00 C ATOM 1292 O GLY A 97 2.379 -13.763 6.055 1.00 0.00 O ATOM 0 H GLY A 97 6.151 -13.970 3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.933 -14.154 3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.971 -15.436 4.893 1.00 0.00 H new ATOM 1296 N TYR A 98 4.197 -12.447 6.121 1.00 0.00 N ATOM 1297 CA TYR A 98 3.631 -11.527 7.082 1.00 0.00 C ATOM 1298 C TYR A 98 3.621 -10.119 6.512 1.00 0.00 C ATOM 1299 O TYR A 98 4.565 -9.715 5.827 1.00 0.00 O ATOM 1300 CB TYR A 98 4.447 -11.573 8.376 1.00 0.00 C ATOM 1301 CG TYR A 98 3.867 -10.732 9.491 1.00 0.00 C ATOM 1302 CD1 TYR A 98 2.585 -10.964 9.973 1.00 0.00 C ATOM 1303 CD2 TYR A 98 4.599 -9.695 10.051 1.00 0.00 C ATOM 1304 CE1 TYR A 98 2.051 -10.188 10.985 1.00 0.00 C ATOM 1305 CE2 TYR A 98 4.074 -8.914 11.060 1.00 0.00 C ATOM 1306 CZ TYR A 98 2.800 -9.163 11.525 1.00 0.00 C ATOM 1307 OH TYR A 98 2.272 -8.379 12.529 1.00 0.00 O ATOM 0 H TYR A 98 5.139 -12.207 5.812 1.00 0.00 H new ATOM 0 HA TYR A 98 2.604 -11.819 7.300 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.519 -12.607 8.713 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.462 -11.234 8.167 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.996 -11.764 9.550 1.00 0.00 H new ATOM 0 HD2 TYR A 98 5.597 -9.496 9.691 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.054 -10.383 11.351 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.659 -8.111 11.484 1.00 0.00 H new ATOM 0 HH TYR A 98 2.930 -7.704 12.797 1.00 0.00 H new ATOM 1316 N MET A 99 2.536 -9.396 6.779 1.00 0.00 N ATOM 1317 CA MET A 99 2.382 -8.022 6.312 1.00 0.00 C ATOM 1318 C MET A 99 3.541 -7.143 6.779 1.00 0.00 C ATOM 1319 O MET A 99 3.705 -6.878 7.973 1.00 0.00 O ATOM 1320 CB MET A 99 1.048 -7.431 6.794 1.00 0.00 C ATOM 1321 CG MET A 99 0.880 -7.412 8.309 1.00 0.00 C ATOM 1322 SD MET A 99 -0.646 -6.603 8.828 1.00 0.00 S ATOM 1323 CE MET A 99 -0.482 -6.665 10.610 1.00 0.00 C ATOM 0 H MET A 99 1.745 -9.743 7.321 1.00 0.00 H new ATOM 0 HA MET A 99 2.387 -8.043 5.222 1.00 0.00 H new ATOM 0 HB2 MET A 99 0.959 -6.412 6.418 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.231 -8.005 6.357 1.00 0.00 H new ATOM 0 HG2 MET A 99 0.890 -8.435 8.685 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.730 -6.899 8.759 1.00 0.00 H new ATOM 0 HE1 MET A 99 -1.353 -6.201 11.072 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.410 -7.704 10.933 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.418 -6.128 10.911 1.00 0.00 H new ATOM 1331 N GLU A 100 4.352 -6.710 5.830 1.00 0.00 N ATOM 1332 CA GLU A 100 5.491 -5.859 6.128 1.00 0.00 C ATOM 1333 C GLU A 100 5.621 -4.739 5.105 1.00 0.00 C ATOM 1334 O GLU A 100 6.449 -4.801 4.196 1.00 0.00 O ATOM 1335 CB GLU A 100 6.773 -6.687 6.185 1.00 0.00 C ATOM 1336 CG GLU A 100 7.128 -7.148 7.588 1.00 0.00 C ATOM 1337 CD GLU A 100 7.715 -6.033 8.428 1.00 0.00 C ATOM 1338 OE1 GLU A 100 7.117 -4.940 8.482 1.00 0.00 O ATOM 1339 OE2 GLU A 100 8.798 -6.231 9.013 1.00 0.00 O ATOM 0 H GLU A 100 4.242 -6.935 4.841 1.00 0.00 H new ATOM 0 HA GLU A 100 5.327 -5.403 7.104 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.663 -7.559 5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.597 -6.096 5.785 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.235 -7.537 8.077 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.842 -7.969 7.528 1.00 0.00 H new ATOM 1344 N PRO A 101 4.786 -3.701 5.233 1.00 0.00 N ATOM 1345 CA PRO A 101 4.815 -2.559 4.329 1.00 0.00 C ATOM 1346 C PRO A 101 6.006 -1.647 4.591 1.00 0.00 C ATOM 1347 O PRO A 101 5.964 -0.765 5.449 1.00 0.00 O ATOM 1348 CB PRO A 101 3.509 -1.835 4.620 1.00 0.00 C ATOM 1349 CG PRO A 101 3.179 -2.192 6.026 1.00 0.00 C ATOM 1350 CD PRO A 101 3.743 -3.565 6.264 1.00 0.00 C ATOM 0 HA PRO A 101 4.917 -2.867 3.288 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.620 -0.757 4.502 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.721 -2.151 3.937 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.610 -1.470 6.720 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.101 -2.183 6.185 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.158 -3.658 7.268 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.978 -4.335 6.163 1.00 0.00 H new ATOM 1355 N CYS A 102 7.071 -1.884 3.859 1.00 0.00 N ATOM 1356 CA CYS A 102 8.276 -1.092 3.988 1.00 0.00 C ATOM 1357 C CYS A 102 8.269 0.038 2.973 1.00 0.00 C ATOM 1358 O CYS A 102 8.354 -0.189 1.769 1.00 0.00 O ATOM 1359 CB CYS A 102 9.513 -1.974 3.820 1.00 0.00 C ATOM 1360 SG CYS A 102 9.294 -3.350 2.643 1.00 0.00 S ATOM 0 H CYS A 102 7.128 -2.626 3.161 1.00 0.00 H new ATOM 0 HA CYS A 102 8.308 -0.655 4.986 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.345 -1.354 3.486 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.789 -2.382 4.792 1.00 0.00 H new ATOM 1364 N ARG A 103 8.145 1.256 3.467 1.00 0.00 N ATOM 1365 CA ARG A 103 8.120 2.426 2.610 1.00 0.00 C ATOM 1366 C ARG A 103 9.540 2.931 2.379 1.00 0.00 C ATOM 1367 O ARG A 103 10.416 2.750 3.225 1.00 0.00 O ATOM 1368 CB ARG A 103 7.250 3.536 3.226 1.00 0.00 C ATOM 1369 CG ARG A 103 7.940 4.368 4.305 1.00 0.00 C ATOM 1370 CD ARG A 103 8.311 3.555 5.540 1.00 0.00 C ATOM 1371 NE ARG A 103 7.142 3.035 6.251 1.00 0.00 N ATOM 1372 CZ ARG A 103 7.124 1.867 6.900 1.00 0.00 C ATOM 1373 NH1 ARG A 103 8.202 1.086 6.911 1.00 0.00 N ATOM 1374 NH2 ARG A 103 6.032 1.489 7.553 1.00 0.00 N ATOM 0 H ARG A 103 8.060 1.461 4.463 1.00 0.00 H new ATOM 0 HA ARG A 103 7.683 2.145 1.652 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.919 4.203 2.430 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.356 3.082 3.654 1.00 0.00 H new ATOM 0 HG2 ARG A 103 8.842 4.817 3.888 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.283 5.187 4.600 1.00 0.00 H new ATOM 0 HD2 ARG A 103 8.949 2.723 5.243 1.00 0.00 H new ATOM 0 HD3 ARG A 103 8.895 4.178 6.217 1.00 0.00 H new ATOM 0 HE ARG A 103 6.291 3.597 6.251 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.048 1.378 6.422 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.182 0.196 7.408 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.208 2.090 7.559 1.00 0.00 H new ATOM 0 HH22 ARG A 103 6.017 0.598 8.049 1.00 0.00 H new ATOM 1385 N ALA A 104 9.776 3.530 1.227 1.00 0.00 N ATOM 1386 CA ALA A 104 11.089 4.070 0.913 1.00 0.00 C ATOM 1387 C ALA A 104 11.053 5.595 0.910 1.00 0.00 C ATOM 1388 O ALA A 104 11.402 6.236 -0.082 1.00 0.00 O ATOM 1389 CB ALA A 104 11.574 3.535 -0.425 1.00 0.00 C ATOM 0 H ALA A 104 9.079 3.656 0.493 1.00 0.00 H new ATOM 0 HA ALA A 104 11.791 3.750 1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 104 12.558 3.948 -0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.638 2.448 -0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 104 10.874 3.825 -1.208 1.00 0.00 H new ATOM 1395 N SER A 105 10.616 6.163 2.031 1.00 0.00 N ATOM 1396 CA SER A 105 10.507 7.603 2.186 1.00 0.00 C ATOM 1397 C SER A 105 10.038 7.926 3.606 1.00 0.00 C ATOM 1398 O SER A 105 10.713 7.598 4.582 1.00 0.00 O ATOM 1399 CB SER A 105 9.525 8.160 1.141 1.00 0.00 C ATOM 1400 OG SER A 105 9.453 9.573 1.179 1.00 0.00 O ATOM 0 H SER A 105 10.329 5.634 2.855 1.00 0.00 H new ATOM 0 HA SER A 105 11.479 8.070 2.027 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.835 7.840 0.146 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.534 7.742 1.316 1.00 0.00 H new ATOM 0 HG SER A 105 8.820 9.887 0.499 1.00 0.00 H new ATOM 1405 N ASN A 106 8.874 8.547 3.695 1.00 0.00 N ATOM 1406 CA ASN A 106 8.248 8.925 4.967 1.00 0.00 C ATOM 1407 C ASN A 106 9.197 9.759 5.821 1.00 0.00 C ATOM 1408 O ASN A 106 9.518 9.403 6.956 1.00 0.00 O ATOM 1409 CB ASN A 106 7.809 7.681 5.738 1.00 0.00 C ATOM 1410 CG ASN A 106 6.651 7.942 6.690 1.00 0.00 C ATOM 1411 OD1 ASN A 106 5.718 8.795 6.283 1.00 0.00 O flip ATOM 1412 ND2 ASN A 106 6.573 7.352 7.767 1.00 0.00 N flip ATOM 0 H ASN A 106 8.323 8.810 2.878 1.00 0.00 H new ATOM 0 HA ASN A 106 7.370 9.530 4.739 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.520 6.905 5.029 1.00 0.00 H new ATOM 0 HB3 ASN A 106 8.656 7.295 6.305 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.309 6.703 8.048 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.773 7.511 8.379 1.00 0.00 H new ATOM 1418 N ALA A 107 9.642 10.865 5.257 1.00 0.00 N ATOM 1419 CA ALA A 107 10.557 11.766 5.943 1.00 0.00 C ATOM 1420 C ALA A 107 9.795 12.727 6.856 1.00 0.00 C ATOM 1421 O ALA A 107 8.583 12.577 7.035 1.00 0.00 O ATOM 1422 CB ALA A 107 11.390 12.531 4.928 1.00 0.00 C ATOM 0 H ALA A 107 9.384 11.166 4.317 1.00 0.00 H new ATOM 0 HA ALA A 107 11.225 11.174 6.569 1.00 0.00 H new ATOM 0 HB1 ALA A 107 12.072 13.203 5.449 1.00 0.00 H new ATOM 0 HB2 ALA A 107 11.964 11.828 4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 107 10.732 13.112 4.281 1.00 0.00 H new ATOM 1428 N ASP A 108 10.521 13.712 7.407 1.00 0.00 N ATOM 1429 CA ASP A 108 9.976 14.725 8.326 1.00 0.00 C ATOM 1430 C ASP A 108 8.925 14.150 9.277 1.00 0.00 C ATOM 1431 O ASP A 108 9.272 13.479 10.251 1.00 0.00 O ATOM 1432 CB ASP A 108 9.466 15.974 7.573 1.00 0.00 C ATOM 1433 CG ASP A 108 8.457 15.689 6.473 1.00 0.00 C ATOM 1434 OD1 ASP A 108 8.879 15.372 5.341 1.00 0.00 O ATOM 1435 OD2 ASP A 108 7.241 15.808 6.728 1.00 0.00 O ATOM 0 H ASP A 108 11.518 13.829 7.224 1.00 0.00 H new ATOM 0 HA ASP A 108 10.805 15.052 8.954 1.00 0.00 H new ATOM 0 HB2 ASP A 108 9.014 16.655 8.294 1.00 0.00 H new ATOM 0 HB3 ASP A 108 10.320 16.492 7.137 1.00 0.00 H new ATOM 1439 N HIS A 109 7.656 14.397 9.002 1.00 0.00 N ATOM 1440 CA HIS A 109 6.583 13.878 9.834 1.00 0.00 C ATOM 1441 C HIS A 109 5.281 13.895 9.052 1.00 0.00 C ATOM 1442 O HIS A 109 4.741 12.844 8.704 1.00 0.00 O ATOM 1443 CB HIS A 109 6.441 14.689 11.127 1.00 0.00 C ATOM 1444 CG HIS A 109 5.722 13.956 12.222 1.00 0.00 C ATOM 1445 ND1 HIS A 109 6.343 13.546 13.385 1.00 0.00 N ATOM 1446 CD2 HIS A 109 4.429 13.561 12.334 1.00 0.00 C ATOM 1447 CE1 HIS A 109 5.465 12.932 14.160 1.00 0.00 C ATOM 1448 NE2 HIS A 109 4.298 12.929 13.543 1.00 0.00 N ATOM 0 H HIS A 109 7.343 14.955 8.208 1.00 0.00 H new ATOM 0 HA HIS A 109 6.825 12.852 10.113 1.00 0.00 H new ATOM 0 HB2 HIS A 109 7.433 14.970 11.480 1.00 0.00 H new ATOM 0 HB3 HIS A 109 5.907 15.614 10.909 1.00 0.00 H new ATOM 0 HD2 HIS A 109 3.647 13.716 11.605 1.00 0.00 H new ATOM 0 HE1 HIS A 109 5.668 12.506 15.131 1.00 0.00 H new ATOM 0 HE2 HIS A 109 3.437 12.522 13.908 1.00 0.00 H new ATOM 1456 N VAL A 110 4.790 15.088 8.757 1.00 0.00 N ATOM 1457 CA VAL A 110 3.553 15.232 8.008 1.00 0.00 C ATOM 1458 C VAL A 110 3.836 15.633 6.569 1.00 0.00 C ATOM 1459 O VAL A 110 3.647 16.780 6.161 1.00 0.00 O ATOM 1460 CB VAL A 110 2.589 16.235 8.671 1.00 0.00 C ATOM 1461 CG1 VAL A 110 1.963 15.618 9.911 1.00 0.00 C ATOM 1462 CG2 VAL A 110 3.313 17.521 9.027 1.00 0.00 C ATOM 0 H VAL A 110 5.229 15.969 9.024 1.00 0.00 H new ATOM 0 HA VAL A 110 3.062 14.259 8.009 1.00 0.00 H new ATOM 0 HB VAL A 110 1.798 16.475 7.961 1.00 0.00 H new ATOM 0 HG11 VAL A 110 1.284 16.336 10.371 1.00 0.00 H new ATOM 0 HG12 VAL A 110 1.409 14.722 9.631 1.00 0.00 H new ATOM 0 HG13 VAL A 110 2.747 15.353 10.621 1.00 0.00 H new ATOM 0 HG21 VAL A 110 2.614 18.215 9.494 1.00 0.00 H new ATOM 0 HG22 VAL A 110 4.124 17.302 9.721 1.00 0.00 H new ATOM 0 HG23 VAL A 110 3.721 17.971 8.122 1.00 0.00 H new ATOM 1472 N LEU A 111 4.280 14.658 5.799 1.00 0.00 N ATOM 1473 CA LEU A 111 4.612 14.863 4.395 1.00 0.00 C ATOM 1474 C LEU A 111 3.350 14.932 3.544 1.00 0.00 C ATOM 1475 O LEU A 111 3.408 15.149 2.334 1.00 0.00 O ATOM 1476 CB LEU A 111 5.545 13.756 3.887 1.00 0.00 C ATOM 1477 CG LEU A 111 4.944 12.345 3.785 1.00 0.00 C ATOM 1478 CD1 LEU A 111 5.849 11.446 2.957 1.00 0.00 C ATOM 1479 CD2 LEU A 111 4.741 11.734 5.162 1.00 0.00 C ATOM 0 H LEU A 111 4.422 13.702 6.125 1.00 0.00 H new ATOM 0 HA LEU A 111 5.134 15.816 4.309 1.00 0.00 H new ATOM 0 HB2 LEU A 111 5.910 14.043 2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.411 13.711 4.547 1.00 0.00 H new ATOM 0 HG LEU A 111 3.973 12.431 3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.412 10.450 2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.956 11.861 1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 111 6.829 11.382 3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.315 10.736 5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.700 11.667 5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.062 12.360 5.741 1.00 0.00 H new ATOM 1490 N LYS A 112 2.218 14.782 4.206 1.00 0.00 N ATOM 1491 CA LYS A 112 0.912 14.828 3.560 1.00 0.00 C ATOM 1492 C LYS A 112 0.401 16.271 3.506 1.00 0.00 C ATOM 1493 O LYS A 112 -0.764 16.546 3.213 1.00 0.00 O ATOM 1494 CB LYS A 112 -0.054 13.917 4.335 1.00 0.00 C ATOM 1495 CG LYS A 112 -1.470 13.850 3.787 1.00 0.00 C ATOM 1496 CD LYS A 112 -2.367 13.038 4.704 1.00 0.00 C ATOM 1497 CE LYS A 112 -3.831 13.231 4.360 1.00 0.00 C ATOM 1498 NZ LYS A 112 -4.717 12.407 5.224 1.00 0.00 N ATOM 0 H LYS A 112 2.174 14.624 5.213 1.00 0.00 H new ATOM 0 HA LYS A 112 0.986 14.470 2.533 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.359 12.908 4.351 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -0.099 14.260 5.369 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.871 14.858 3.679 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -1.459 13.403 2.793 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -2.110 11.982 4.625 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -2.193 13.332 5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -4.094 14.283 4.469 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -3.996 12.968 3.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -5.637 12.280 4.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -4.279 11.477 5.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -4.855 12.886 6.137 1.00 0.00 H new ATOM 1508 N SER A 113 1.326 17.182 3.776 1.00 0.00 N ATOM 1509 CA SER A 113 1.056 18.618 3.794 1.00 0.00 C ATOM 1510 C SER A 113 -0.169 18.925 4.655 1.00 0.00 C ATOM 1511 O SER A 113 -1.097 19.608 4.225 1.00 0.00 O ATOM 1512 CB SER A 113 0.866 19.143 2.363 1.00 0.00 C ATOM 1513 OG SER A 113 0.924 20.562 2.317 1.00 0.00 O ATOM 0 H SER A 113 2.295 16.945 3.991 1.00 0.00 H new ATOM 0 HA SER A 113 1.913 19.127 4.235 1.00 0.00 H new ATOM 0 HB2 SER A 113 1.637 18.725 1.716 1.00 0.00 H new ATOM 0 HB3 SER A 113 -0.094 18.804 1.975 1.00 0.00 H new ATOM 0 HG SER A 113 0.234 20.937 2.904 1.00 0.00 H new ATOM 1518 N SER A 114 -0.161 18.419 5.880 1.00 0.00 N ATOM 1519 CA SER A 114 -1.271 18.617 6.789 1.00 0.00 C ATOM 1520 C SER A 114 -0.804 19.382 8.018 1.00 0.00 C ATOM 1521 O SER A 114 -0.157 18.820 8.904 1.00 0.00 O ATOM 1522 CB SER A 114 -1.862 17.265 7.181 1.00 0.00 C ATOM 1523 OG SER A 114 -2.174 16.502 6.026 1.00 0.00 O ATOM 0 H SER A 114 0.606 17.867 6.264 1.00 0.00 H new ATOM 0 HA SER A 114 -2.046 19.203 6.295 1.00 0.00 H new ATOM 0 HB2 SER A 114 -1.153 16.719 7.803 1.00 0.00 H new ATOM 0 HB3 SER A 114 -2.761 17.415 7.778 1.00 0.00 H new ATOM 0 HG SER A 114 -2.550 15.638 6.296 1.00 0.00 H new ATOM 1528 N SER A 115 -1.120 20.666 8.050 1.00 0.00 N ATOM 1529 CA SER A 115 -0.730 21.522 9.156 1.00 0.00 C ATOM 1530 C SER A 115 -1.466 21.117 10.423 1.00 0.00 C ATOM 1531 O SER A 115 -0.920 21.184 11.528 1.00 0.00 O ATOM 1532 CB SER A 115 -1.064 22.975 8.830 1.00 0.00 C ATOM 1533 OG SER A 115 -0.391 23.875 9.695 1.00 0.00 O ATOM 0 H SER A 115 -1.649 21.140 7.318 1.00 0.00 H new ATOM 0 HA SER A 115 0.343 21.416 9.313 1.00 0.00 H new ATOM 0 HB2 SER A 115 -0.789 23.189 7.797 1.00 0.00 H new ATOM 0 HB3 SER A 115 -2.140 23.128 8.911 1.00 0.00 H new ATOM 0 HG SER A 115 -0.627 24.796 9.457 1.00 0.00 H new ATOM 1538 N GLU A 116 -2.714 20.704 10.253 1.00 0.00 N ATOM 1539 CA GLU A 116 -3.536 20.305 11.374 1.00 0.00 C ATOM 1540 C GLU A 116 -4.079 18.900 11.160 1.00 0.00 C ATOM 1541 O GLU A 116 -3.475 17.941 11.679 1.00 0.00 O ATOM 1542 CB GLU A 116 -4.688 21.289 11.563 1.00 0.00 C ATOM 1543 CG GLU A 116 -4.233 22.716 11.798 1.00 0.00 C ATOM 1544 CD GLU A 116 -5.376 23.640 12.145 1.00 0.00 C ATOM 1545 OE1 GLU A 116 -6.038 24.150 11.221 1.00 0.00 O ATOM 1546 OE2 GLU A 116 -5.620 23.862 13.347 1.00 0.00 O ATOM 0 H GLU A 116 -3.175 20.638 9.346 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.920 20.309 12.273 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.328 21.261 10.681 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.296 20.966 12.408 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.500 22.732 12.605 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -3.731 23.085 10.904 1.00 0.00 H new TER 1551 GLU A 116