USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 976 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 69 ASN : amide:sc= 0.362 X(o=0.61,f=0.14) USER MOD Set 1.2: A 73 TYR OH : rot -113:sc= 0.244 USER MOD Set 2.1: A 43 HIS : no HD1:sc= -0.0881 K(o=-0.088,f=-4!) USER MOD Set 2.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 16 GLN : amide:sc= 1.84 K(o=3,f=-4!) USER MOD Set 3.2: A 60 GLN : amide:sc= 1.15 K(o=3,f=-0.24) USER MOD Set 4.1: A 12 SER OG : rot 160:sc= 0.369 USER MOD Set 4.2: A 13 CYS SG : rot -67:sc= 0.301 USER MOD Set 5.1: A 11 ASN : amide:sc= 0.844 K(o=3,f=-3.4!) USER MOD Set 5.2: A 15 SER OG : rot -55:sc= 0.728 USER MOD Set 5.3: A 34 SER OG : rot -61:sc= 1.4 USER MOD Set 6.1: A 5 MET CE :methyl 163:sc= -0.0364 (180deg=-0.639) USER MOD Set 6.2: A 35 CYS SG : rot -89:sc= 0.159 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= 1.23 (180deg=0.671) USER MOD Single : A 2 LYS NZ :NH3+ 168:sc= 1.29 (180deg=1.2) USER MOD Single : A 3 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.19) USER MOD Single : A 8 CYS SG : rot 172:sc= -0.104 USER MOD Single : A 9 LYS NZ :NH3+ 169:sc= 1.21 (180deg=1.02) USER MOD Single : A 17 MET CE :methyl 153:sc=-0.000876 (180deg=-0.0199) USER MOD Single : A 23 LYS NZ :NH3+ -176:sc= 0.987 (180deg=0.973) USER MOD Single : A 24 THR OG1 : rot 89:sc= 0.753 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 160:sc= 0.348 USER MOD Single : A 49 MET CE :methyl 174:sc= -0.462 (180deg=-0.493) USER MOD Single : A 50 MET CE :methyl 178:sc= -1.85 (180deg=-1.89) USER MOD Single : A 58 SER OG : rot -59:sc= 1.19 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -68:sc= 0.766 USER MOD Single : A 67 ASN : amide:sc= 0.744 K(o=0.74,f=-0.18) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot -46:sc= 0.149 USER MOD Single : A 93 GLN : amide:sc= 0.889 K(o=0.89,f=-0.32) USER MOD Single : A 100 GLN : amide:sc= 1.23 K(o=1.2,f=-0.38) USER MOD Single : A 107 GLN : amide:sc= 0.321 K(o=0.32,f=-0.78) USER MOD Single : A 108 SER OG : rot 180:sc=-0.00294 USER MOD Single : A 114 THR OG1 : rot 75:sc= 1.22 USER MOD Single : A 118 GLN : amide:sc= 0.838 K(o=0.84,f=-0.0017) USER MOD Single : A 120 LYS NZ :NH3+ -177:sc= 1.22 (180deg=1.14) USER MOD Single : A 125 ASN : amide:sc= 0.889 K(o=0.89,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 29:sc= 0.0531 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.672 -0.368 0.825 1.00 0.00 N ATOM 2 CA MET A 1 2.230 -0.068 -0.525 1.00 0.00 C ATOM 3 C MET A 1 2.256 1.444 -0.796 1.00 0.00 C ATOM 4 O MET A 1 1.212 2.092 -0.756 1.00 0.00 O ATOM 5 CB MET A 1 1.476 -0.824 -1.650 1.00 0.00 C ATOM 6 CG MET A 1 2.000 -0.488 -3.060 1.00 0.00 C ATOM 7 SD MET A 1 1.344 -1.496 -4.423 1.00 0.00 S ATOM 8 CE MET A 1 2.301 -3.024 -4.219 1.00 0.00 C ATOM 0 H1 MET A 1 1.215 -1.302 0.812 1.00 0.00 H new ATOM 0 H2 MET A 1 2.440 -0.368 1.526 1.00 0.00 H new ATOM 0 H3 MET A 1 0.971 0.357 1.080 1.00 0.00 H new ATOM 0 HA MET A 1 3.259 -0.429 -0.529 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.566 -1.897 -1.482 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.415 -0.580 -1.595 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.775 0.558 -3.269 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.086 -0.585 -3.054 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.009 -3.741 -4.986 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.364 -2.803 -4.315 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.106 -3.447 -3.233 1.00 0.00 H new ATOM 18 N LYS A 2 3.438 1.987 -1.123 1.00 0.00 N ATOM 19 CA LYS A 2 3.663 3.362 -1.636 1.00 0.00 C ATOM 20 C LYS A 2 4.512 3.313 -2.917 1.00 0.00 C ATOM 21 O LYS A 2 5.098 2.274 -3.223 1.00 0.00 O ATOM 22 CB LYS A 2 4.293 4.248 -0.543 1.00 0.00 C ATOM 23 CG LYS A 2 3.317 4.503 0.618 1.00 0.00 C ATOM 24 CD LYS A 2 3.908 5.442 1.677 1.00 0.00 C ATOM 25 CE LYS A 2 2.871 5.685 2.783 1.00 0.00 C ATOM 26 NZ LYS A 2 3.427 6.514 3.887 1.00 0.00 N ATOM 0 H LYS A 2 4.308 1.462 -1.036 1.00 0.00 H new ATOM 0 HA LYS A 2 2.707 3.815 -1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.195 3.769 -0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.598 5.200 -0.978 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.395 4.934 0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.053 3.553 1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.812 5.005 2.101 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.195 6.388 1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.997 6.181 2.360 1.00 0.00 H new ATOM 0 HE3 LYS A 2 2.533 4.728 3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 2.655 6.827 4.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.107 5.950 4.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.909 7.345 3.488 1.00 0.00 H new ATOM 40 N LYS A 3 4.553 4.411 -3.682 1.00 0.00 N ATOM 41 CA LYS A 3 5.214 4.487 -4.999 1.00 0.00 C ATOM 42 C LYS A 3 6.467 5.359 -4.947 1.00 0.00 C ATOM 43 O LYS A 3 6.471 6.407 -4.303 1.00 0.00 O ATOM 44 CB LYS A 3 4.239 4.951 -6.107 1.00 0.00 C ATOM 45 CG LYS A 3 3.046 3.993 -6.321 1.00 0.00 C ATOM 46 CD LYS A 3 1.822 4.203 -5.411 1.00 0.00 C ATOM 47 CE LYS A 3 1.200 5.581 -5.652 1.00 0.00 C ATOM 48 NZ LYS A 3 0.508 6.118 -4.452 1.00 0.00 N ATOM 0 H LYS A 3 4.120 5.291 -3.401 1.00 0.00 H new ATOM 0 HA LYS A 3 5.532 3.477 -5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.859 5.941 -5.854 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.787 5.050 -7.044 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.719 4.082 -7.357 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.401 2.971 -6.185 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.082 3.426 -5.603 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.119 4.110 -4.366 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.980 6.278 -5.958 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.490 5.515 -6.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.121 7.059 -4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.266 5.478 -4.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.185 6.193 -3.666 1.00 0.00 H new ATOM 62 N VAL A 4 7.514 4.939 -5.660 1.00 0.00 N ATOM 63 CA VAL A 4 8.791 5.671 -5.766 1.00 0.00 C ATOM 64 C VAL A 4 9.092 5.984 -7.233 1.00 0.00 C ATOM 65 O VAL A 4 8.884 5.146 -8.107 1.00 0.00 O ATOM 66 CB VAL A 4 9.971 4.944 -5.080 1.00 0.00 C ATOM 67 CG1 VAL A 4 11.210 5.841 -4.982 1.00 0.00 C ATOM 68 CG2 VAL A 4 9.617 4.436 -3.675 1.00 0.00 C ATOM 0 H VAL A 4 7.505 4.068 -6.191 1.00 0.00 H new ATOM 0 HA VAL A 4 8.675 6.608 -5.221 1.00 0.00 H new ATOM 0 HB VAL A 4 10.191 4.085 -5.715 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.017 5.294 -4.494 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.525 6.137 -5.983 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.970 6.730 -4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.482 3.934 -3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.332 5.278 -3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.785 3.734 -3.741 1.00 0.00 H new ATOM 78 N MET A 5 9.597 7.184 -7.504 1.00 0.00 N ATOM 79 CA MET A 5 9.939 7.644 -8.852 1.00 0.00 C ATOM 80 C MET A 5 11.357 8.215 -8.870 1.00 0.00 C ATOM 81 O MET A 5 11.720 9.029 -8.024 1.00 0.00 O ATOM 82 CB MET A 5 8.877 8.636 -9.347 1.00 0.00 C ATOM 83 CG MET A 5 9.268 9.391 -10.625 1.00 0.00 C ATOM 84 SD MET A 5 9.636 8.404 -12.103 1.00 0.00 S ATOM 85 CE MET A 5 8.207 8.818 -13.143 1.00 0.00 C ATOM 0 H MET A 5 9.785 7.879 -6.781 1.00 0.00 H new ATOM 0 HA MET A 5 9.936 6.805 -9.548 1.00 0.00 H new ATOM 0 HB2 MET A 5 7.948 8.096 -9.528 1.00 0.00 H new ATOM 0 HB3 MET A 5 8.677 9.360 -8.558 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.457 10.077 -10.872 1.00 0.00 H new ATOM 0 HG3 MET A 5 10.144 10.000 -10.401 1.00 0.00 H new ATOM 0 HE1 MET A 5 8.419 8.547 -14.177 1.00 0.00 H new ATOM 0 HE2 MET A 5 7.333 8.268 -12.796 1.00 0.00 H new ATOM 0 HE3 MET A 5 8.010 9.888 -13.081 1.00 0.00 H new ATOM 95 N PHE A 6 12.144 7.787 -9.851 1.00 0.00 N ATOM 96 CA PHE A 6 13.569 8.120 -9.977 1.00 0.00 C ATOM 97 C PHE A 6 13.830 9.059 -11.162 1.00 0.00 C ATOM 98 O PHE A 6 13.707 8.639 -12.310 1.00 0.00 O ATOM 99 CB PHE A 6 14.383 6.815 -10.098 1.00 0.00 C ATOM 100 CG PHE A 6 14.076 5.784 -9.030 1.00 0.00 C ATOM 101 CD1 PHE A 6 14.608 5.913 -7.734 1.00 0.00 C ATOM 102 CD2 PHE A 6 13.242 4.694 -9.336 1.00 0.00 C ATOM 103 CE1 PHE A 6 14.268 4.988 -6.731 1.00 0.00 C ATOM 104 CE2 PHE A 6 12.893 3.776 -8.330 1.00 0.00 C ATOM 105 CZ PHE A 6 13.384 3.936 -7.023 1.00 0.00 C ATOM 0 H PHE A 6 11.806 7.184 -10.601 1.00 0.00 H new ATOM 0 HA PHE A 6 13.887 8.658 -9.084 1.00 0.00 H new ATOM 0 HB2 PHE A 6 14.195 6.373 -11.077 1.00 0.00 H new ATOM 0 HB3 PHE A 6 15.445 7.058 -10.056 1.00 0.00 H new ATOM 0 HD1 PHE A 6 15.281 6.727 -7.508 1.00 0.00 H new ATOM 0 HD2 PHE A 6 12.870 4.562 -10.341 1.00 0.00 H new ATOM 0 HE1 PHE A 6 14.685 5.086 -5.740 1.00 0.00 H new ATOM 0 HE2 PHE A 6 12.245 2.944 -8.563 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.082 3.251 -6.244 1.00 0.00 H new ATOM 115 N VAL A 7 14.229 10.303 -10.893 1.00 0.00 N ATOM 116 CA VAL A 7 14.712 11.287 -11.877 1.00 0.00 C ATOM 117 C VAL A 7 16.225 11.184 -12.062 1.00 0.00 C ATOM 118 O VAL A 7 16.977 11.105 -11.100 1.00 0.00 O ATOM 119 CB VAL A 7 14.266 12.729 -11.513 1.00 0.00 C ATOM 120 CG1 VAL A 7 15.269 13.841 -11.866 1.00 0.00 C ATOM 121 CG2 VAL A 7 12.977 13.073 -12.259 1.00 0.00 C ATOM 0 H VAL A 7 14.226 10.674 -9.943 1.00 0.00 H new ATOM 0 HA VAL A 7 14.251 11.050 -12.836 1.00 0.00 H new ATOM 0 HB VAL A 7 14.157 12.707 -10.429 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.860 14.807 -11.570 1.00 0.00 H new ATOM 0 HG12 VAL A 7 16.206 13.667 -11.338 1.00 0.00 H new ATOM 0 HG13 VAL A 7 15.452 13.838 -12.940 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.667 14.086 -12.001 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.150 13.009 -13.333 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.194 12.370 -11.975 1.00 0.00 H new ATOM 131 N CYS A 8 16.684 11.258 -13.305 1.00 0.00 N ATOM 132 CA CYS A 8 18.091 11.412 -13.699 1.00 0.00 C ATOM 133 C CYS A 8 18.148 12.532 -14.757 1.00 0.00 C ATOM 134 O CYS A 8 17.104 13.038 -15.159 1.00 0.00 O ATOM 135 CB CYS A 8 18.576 10.017 -14.139 1.00 0.00 C ATOM 136 SG CYS A 8 20.261 9.973 -14.831 1.00 0.00 S ATOM 0 H CYS A 8 16.060 11.211 -14.110 1.00 0.00 H new ATOM 0 HA CYS A 8 18.771 11.730 -12.909 1.00 0.00 H new ATOM 0 HB2 CYS A 8 18.534 9.346 -13.281 1.00 0.00 H new ATOM 0 HB3 CYS A 8 17.883 9.626 -14.884 1.00 0.00 H new ATOM 0 HG CYS A 8 20.625 8.738 -15.009 1.00 0.00 H new ATOM 142 N LYS A 9 19.327 12.935 -15.248 1.00 0.00 N ATOM 143 CA LYS A 9 19.399 13.994 -16.283 1.00 0.00 C ATOM 144 C LYS A 9 18.715 13.525 -17.576 1.00 0.00 C ATOM 145 O LYS A 9 17.688 14.071 -17.951 1.00 0.00 O ATOM 146 CB LYS A 9 20.852 14.503 -16.450 1.00 0.00 C ATOM 147 CG LYS A 9 20.886 16.007 -16.781 1.00 0.00 C ATOM 148 CD LYS A 9 22.304 16.522 -17.091 1.00 0.00 C ATOM 149 CE LYS A 9 22.857 16.126 -18.476 1.00 0.00 C ATOM 150 NZ LYS A 9 22.354 17.005 -19.575 1.00 0.00 N ATOM 0 H LYS A 9 20.230 12.559 -14.958 1.00 0.00 H new ATOM 0 HA LYS A 9 18.835 14.871 -15.964 1.00 0.00 H new ATOM 0 HB2 LYS A 9 21.412 14.318 -15.533 1.00 0.00 H new ATOM 0 HB3 LYS A 9 21.346 13.943 -17.244 1.00 0.00 H new ATOM 0 HG2 LYS A 9 20.240 16.200 -17.637 1.00 0.00 H new ATOM 0 HG3 LYS A 9 20.477 16.568 -15.941 1.00 0.00 H new ATOM 0 HD2 LYS A 9 22.303 17.609 -17.015 1.00 0.00 H new ATOM 0 HD3 LYS A 9 22.984 16.149 -16.325 1.00 0.00 H new ATOM 0 HE2 LYS A 9 23.946 16.169 -18.453 1.00 0.00 H new ATOM 0 HE3 LYS A 9 22.583 15.093 -18.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 22.894 16.817 -20.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 21.347 16.808 -19.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 22.471 18.002 -19.303 1.00 0.00 H new ATOM 164 N ARG A 10 19.213 12.421 -18.158 1.00 0.00 N ATOM 165 CA ARG A 10 18.715 11.832 -19.438 1.00 0.00 C ATOM 166 C ARG A 10 18.050 10.447 -19.366 1.00 0.00 C ATOM 167 O ARG A 10 17.695 9.886 -20.396 1.00 0.00 O ATOM 168 CB ARG A 10 19.768 12.004 -20.559 1.00 0.00 C ATOM 169 CG ARG A 10 20.945 11.006 -20.638 1.00 0.00 C ATOM 170 CD ARG A 10 21.944 11.077 -19.481 1.00 0.00 C ATOM 171 NE ARG A 10 23.218 10.404 -19.822 1.00 0.00 N ATOM 172 CZ ARG A 10 24.260 10.260 -19.019 1.00 0.00 C ATOM 173 NH1 ARG A 10 24.262 10.724 -17.807 1.00 0.00 N ATOM 174 NH2 ARG A 10 25.327 9.643 -19.399 1.00 0.00 N ATOM 0 H ARG A 10 19.987 11.894 -17.754 1.00 0.00 H new ATOM 0 HA ARG A 10 17.841 12.426 -19.707 1.00 0.00 H new ATOM 0 HB2 ARG A 10 19.242 11.969 -21.513 1.00 0.00 H new ATOM 0 HB3 ARG A 10 20.190 13.004 -20.464 1.00 0.00 H new ATOM 0 HG2 ARG A 10 20.540 9.995 -20.684 1.00 0.00 H new ATOM 0 HG3 ARG A 10 21.482 11.177 -21.571 1.00 0.00 H new ATOM 0 HD2 ARG A 10 22.138 12.120 -19.230 1.00 0.00 H new ATOM 0 HD3 ARG A 10 21.511 10.611 -18.596 1.00 0.00 H new ATOM 0 HE ARG A 10 23.300 10.016 -20.762 1.00 0.00 H new ATOM 0 HH11 ARG A 10 23.444 11.216 -17.448 1.00 0.00 H new ATOM 0 HH12 ARG A 10 25.082 10.596 -17.213 1.00 0.00 H new ATOM 0 HH21 ARG A 10 25.382 9.252 -20.339 1.00 0.00 H new ATOM 0 HH22 ARG A 10 26.116 9.547 -18.759 1.00 0.00 H new ATOM 188 N ASN A 11 17.904 9.887 -18.158 1.00 0.00 N ATOM 189 CA ASN A 11 17.237 8.594 -17.856 1.00 0.00 C ATOM 190 C ASN A 11 17.752 7.387 -18.661 1.00 0.00 C ATOM 191 O ASN A 11 17.010 6.453 -18.947 1.00 0.00 O ATOM 192 CB ASN A 11 15.716 8.836 -17.887 1.00 0.00 C ATOM 193 CG ASN A 11 14.810 7.687 -17.454 1.00 0.00 C ATOM 194 OD1 ASN A 11 13.868 7.366 -18.151 1.00 0.00 O ATOM 195 ND2 ASN A 11 15.007 7.055 -16.316 1.00 0.00 N ATOM 0 H ASN A 11 18.262 10.338 -17.317 1.00 0.00 H new ATOM 0 HA ASN A 11 17.511 8.267 -16.853 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.499 9.694 -17.250 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.441 9.116 -18.904 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.373 6.308 -16.031 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.793 7.312 -15.719 1.00 0.00 H new ATOM 202 N SER A 12 19.040 7.402 -19.005 1.00 0.00 N ATOM 203 CA SER A 12 19.777 6.277 -19.599 1.00 0.00 C ATOM 204 C SER A 12 20.338 5.321 -18.543 1.00 0.00 C ATOM 205 O SER A 12 20.377 4.115 -18.761 1.00 0.00 O ATOM 206 CB SER A 12 20.935 6.871 -20.401 1.00 0.00 C ATOM 207 OG SER A 12 21.622 7.764 -19.534 1.00 0.00 O ATOM 0 H SER A 12 19.624 8.228 -18.874 1.00 0.00 H new ATOM 0 HA SER A 12 19.096 5.698 -20.222 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.603 6.086 -20.755 1.00 0.00 H new ATOM 0 HB3 SER A 12 20.566 7.396 -21.282 1.00 0.00 H new ATOM 0 HG SER A 12 22.528 7.919 -19.875 1.00 0.00 H new ATOM 213 N CYS A 13 20.775 5.876 -17.405 1.00 0.00 N ATOM 214 CA CYS A 13 21.540 5.210 -16.340 1.00 0.00 C ATOM 215 C CYS A 13 21.101 5.702 -14.945 1.00 0.00 C ATOM 216 O CYS A 13 20.248 6.581 -14.849 1.00 0.00 O ATOM 217 CB CYS A 13 23.039 5.450 -16.656 1.00 0.00 C ATOM 218 SG CYS A 13 23.432 7.229 -16.783 1.00 0.00 S ATOM 0 H CYS A 13 20.595 6.857 -17.190 1.00 0.00 H new ATOM 0 HA CYS A 13 21.352 4.137 -16.312 1.00 0.00 H new ATOM 0 HB2 CYS A 13 23.651 4.998 -15.876 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.297 4.954 -17.592 1.00 0.00 H new ATOM 0 HG CYS A 13 22.833 7.733 -17.821 1.00 0.00 H new ATOM 224 N ARG A 14 21.642 5.125 -13.861 1.00 0.00 N ATOM 225 CA ARG A 14 21.261 5.345 -12.435 1.00 0.00 C ATOM 226 C ARG A 14 19.781 5.090 -12.133 1.00 0.00 C ATOM 227 O ARG A 14 19.429 4.037 -11.633 1.00 0.00 O ATOM 228 CB ARG A 14 21.787 6.715 -11.934 1.00 0.00 C ATOM 229 CG ARG A 14 23.320 6.779 -11.891 1.00 0.00 C ATOM 230 CD ARG A 14 23.829 8.032 -11.164 1.00 0.00 C ATOM 231 NE ARG A 14 23.418 9.272 -11.852 1.00 0.00 N ATOM 232 CZ ARG A 14 24.026 9.880 -12.856 1.00 0.00 C ATOM 233 NH1 ARG A 14 25.185 9.517 -13.298 1.00 0.00 N ATOM 234 NH2 ARG A 14 23.461 10.890 -13.441 1.00 0.00 N ATOM 0 H ARG A 14 22.403 4.451 -13.949 1.00 0.00 H new ATOM 0 HA ARG A 14 21.763 4.576 -11.847 1.00 0.00 H new ATOM 0 HB2 ARG A 14 21.412 7.504 -12.586 1.00 0.00 H new ATOM 0 HB3 ARG A 14 21.391 6.910 -10.937 1.00 0.00 H new ATOM 0 HG2 ARG A 14 23.705 5.890 -11.392 1.00 0.00 H new ATOM 0 HG3 ARG A 14 23.711 6.768 -12.908 1.00 0.00 H new ATOM 0 HD2 ARG A 14 23.447 8.040 -10.143 1.00 0.00 H new ATOM 0 HD3 ARG A 14 24.916 7.997 -11.098 1.00 0.00 H new ATOM 0 HE ARG A 14 22.563 9.712 -11.512 1.00 0.00 H new ATOM 0 HH11 ARG A 14 25.671 8.729 -12.869 1.00 0.00 H new ATOM 0 HH12 ARG A 14 25.614 10.018 -14.076 1.00 0.00 H new ATOM 0 HH21 ARG A 14 22.547 11.216 -13.126 1.00 0.00 H new ATOM 0 HH22 ARG A 14 23.931 11.359 -14.216 1.00 0.00 H new ATOM 248 N SER A 15 18.903 6.014 -12.508 1.00 0.00 N ATOM 249 CA SER A 15 17.430 5.929 -12.361 1.00 0.00 C ATOM 250 C SER A 15 16.826 4.621 -12.894 1.00 0.00 C ATOM 251 O SER A 15 15.990 4.010 -12.235 1.00 0.00 O ATOM 252 CB SER A 15 16.809 7.129 -13.081 1.00 0.00 C ATOM 253 OG SER A 15 17.197 7.128 -14.459 1.00 0.00 O ATOM 0 H SER A 15 19.199 6.887 -12.944 1.00 0.00 H new ATOM 0 HA SER A 15 17.204 5.941 -11.295 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.723 7.089 -13.001 1.00 0.00 H new ATOM 0 HB3 SER A 15 17.130 8.055 -12.605 1.00 0.00 H new ATOM 0 HG SER A 15 18.174 7.098 -14.524 1.00 0.00 H new ATOM 259 N GLN A 16 17.333 4.137 -14.033 1.00 0.00 N ATOM 260 CA GLN A 16 16.912 2.860 -14.641 1.00 0.00 C ATOM 261 C GLN A 16 17.328 1.642 -13.791 1.00 0.00 C ATOM 262 O GLN A 16 16.548 0.703 -13.643 1.00 0.00 O ATOM 263 CB GLN A 16 17.489 2.774 -16.073 1.00 0.00 C ATOM 264 CG GLN A 16 16.955 3.851 -17.043 1.00 0.00 C ATOM 265 CD GLN A 16 15.505 3.643 -17.481 1.00 0.00 C ATOM 266 OE1 GLN A 16 14.839 2.692 -17.109 1.00 0.00 O ATOM 267 NE2 GLN A 16 14.994 4.503 -18.329 1.00 0.00 N ATOM 0 H GLN A 16 18.054 4.622 -14.567 1.00 0.00 H new ATOM 0 HA GLN A 16 15.823 2.836 -14.684 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.575 2.857 -16.020 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.264 1.790 -16.483 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.041 4.827 -16.566 1.00 0.00 H new ATOM 0 HG3 GLN A 16 17.590 3.872 -17.929 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.548 5.300 -18.643 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.043 4.375 -18.675 1.00 0.00 H new ATOM 276 N MET A 17 18.515 1.684 -13.162 1.00 0.00 N ATOM 277 CA MET A 17 18.961 0.683 -12.170 1.00 0.00 C ATOM 278 C MET A 17 18.162 0.774 -10.869 1.00 0.00 C ATOM 279 O MET A 17 17.836 -0.254 -10.295 1.00 0.00 O ATOM 280 CB MET A 17 20.455 0.851 -11.832 1.00 0.00 C ATOM 281 CG MET A 17 21.439 0.281 -12.857 1.00 0.00 C ATOM 282 SD MET A 17 23.148 0.485 -12.277 1.00 0.00 S ATOM 283 CE MET A 17 23.983 -0.740 -13.317 1.00 0.00 C ATOM 0 H MET A 17 19.201 2.420 -13.328 1.00 0.00 H new ATOM 0 HA MET A 17 18.794 -0.291 -12.629 1.00 0.00 H new ATOM 0 HB2 MET A 17 20.663 1.914 -11.709 1.00 0.00 H new ATOM 0 HB3 MET A 17 20.646 0.376 -10.870 1.00 0.00 H new ATOM 0 HG2 MET A 17 21.229 -0.775 -13.024 1.00 0.00 H new ATOM 0 HG3 MET A 17 21.310 0.787 -13.814 1.00 0.00 H new ATOM 0 HE1 MET A 17 25.023 -0.446 -13.462 1.00 0.00 H new ATOM 0 HE2 MET A 17 23.946 -1.715 -12.832 1.00 0.00 H new ATOM 0 HE3 MET A 17 23.484 -0.797 -14.284 1.00 0.00 H new ATOM 293 N ALA A 18 17.815 1.978 -10.401 1.00 0.00 N ATOM 294 CA ALA A 18 17.020 2.158 -9.180 1.00 0.00 C ATOM 295 C ALA A 18 15.636 1.507 -9.311 1.00 0.00 C ATOM 296 O ALA A 18 15.194 0.786 -8.418 1.00 0.00 O ATOM 297 CB ALA A 18 16.936 3.658 -8.873 1.00 0.00 C ATOM 0 H ALA A 18 18.076 2.853 -10.856 1.00 0.00 H new ATOM 0 HA ALA A 18 17.504 1.654 -8.343 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.348 3.812 -7.968 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.940 4.056 -8.726 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.460 4.174 -9.707 1.00 0.00 H new ATOM 303 N GLU A 19 15.009 1.658 -10.481 1.00 0.00 N ATOM 304 CA GLU A 19 13.792 0.926 -10.843 1.00 0.00 C ATOM 305 C GLU A 19 14.044 -0.592 -10.874 1.00 0.00 C ATOM 306 O GLU A 19 13.252 -1.336 -10.310 1.00 0.00 O ATOM 307 CB GLU A 19 13.277 1.480 -12.182 1.00 0.00 C ATOM 308 CG GLU A 19 11.876 0.974 -12.551 1.00 0.00 C ATOM 309 CD GLU A 19 11.364 1.538 -13.896 1.00 0.00 C ATOM 310 OE1 GLU A 19 11.896 2.560 -14.392 1.00 0.00 O ATOM 311 OE2 GLU A 19 10.387 0.972 -14.442 1.00 0.00 O ATOM 0 H GLU A 19 15.334 2.295 -11.208 1.00 0.00 H new ATOM 0 HA GLU A 19 13.019 1.074 -10.089 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.261 2.569 -12.135 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.975 1.205 -12.973 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.891 -0.115 -12.602 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.177 1.246 -11.760 1.00 0.00 H new ATOM 318 N GLY A 20 15.177 -1.055 -11.415 1.00 0.00 N ATOM 319 CA GLY A 20 15.581 -2.474 -11.430 1.00 0.00 C ATOM 320 C GLY A 20 15.779 -3.122 -10.057 1.00 0.00 C ATOM 321 O GLY A 20 15.282 -4.216 -9.798 1.00 0.00 O ATOM 0 H GLY A 20 15.857 -0.443 -11.866 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.826 -3.042 -11.974 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.512 -2.562 -11.991 1.00 0.00 H new ATOM 325 N PHE A 21 16.457 -2.440 -9.138 1.00 0.00 N ATOM 326 CA PHE A 21 16.612 -2.914 -7.760 1.00 0.00 C ATOM 327 C PHE A 21 15.272 -2.906 -7.032 1.00 0.00 C ATOM 328 O PHE A 21 14.885 -3.913 -6.450 1.00 0.00 O ATOM 329 CB PHE A 21 17.681 -2.081 -7.030 1.00 0.00 C ATOM 330 CG PHE A 21 19.084 -2.332 -7.543 1.00 0.00 C ATOM 331 CD1 PHE A 21 19.642 -3.619 -7.450 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.825 -1.289 -8.122 1.00 0.00 C ATOM 333 CE1 PHE A 21 20.925 -3.871 -7.961 1.00 0.00 C ATOM 334 CE2 PHE A 21 21.112 -1.537 -8.630 1.00 0.00 C ATOM 335 CZ PHE A 21 21.656 -2.831 -8.555 1.00 0.00 C ATOM 0 H PHE A 21 16.914 -1.547 -9.323 1.00 0.00 H new ATOM 0 HA PHE A 21 16.957 -3.948 -7.773 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.445 -1.022 -7.139 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.644 -2.308 -5.964 1.00 0.00 H new ATOM 0 HD1 PHE A 21 19.082 -4.416 -6.984 1.00 0.00 H new ATOM 0 HD2 PHE A 21 19.406 -0.295 -8.177 1.00 0.00 H new ATOM 0 HE1 PHE A 21 21.348 -4.863 -7.897 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.681 -0.735 -9.077 1.00 0.00 H new ATOM 0 HZ PHE A 21 22.640 -3.025 -8.956 1.00 0.00 H new ATOM 345 N ALA A 22 14.510 -1.817 -7.120 1.00 0.00 N ATOM 346 CA ALA A 22 13.232 -1.699 -6.415 1.00 0.00 C ATOM 347 C ALA A 22 12.166 -2.676 -6.939 1.00 0.00 C ATOM 348 O ALA A 22 11.515 -3.332 -6.133 1.00 0.00 O ATOM 349 CB ALA A 22 12.789 -0.237 -6.492 1.00 0.00 C ATOM 0 H ALA A 22 14.757 -0.998 -7.676 1.00 0.00 H new ATOM 0 HA ALA A 22 13.363 -1.986 -5.372 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.837 -0.117 -5.974 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.541 0.396 -6.021 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.673 0.053 -7.536 1.00 0.00 H new ATOM 355 N LYS A 23 12.040 -2.866 -8.261 1.00 0.00 N ATOM 356 CA LYS A 23 11.040 -3.785 -8.860 1.00 0.00 C ATOM 357 C LYS A 23 11.246 -5.250 -8.463 1.00 0.00 C ATOM 358 O LYS A 23 10.301 -6.032 -8.459 1.00 0.00 O ATOM 359 CB LYS A 23 11.013 -3.600 -10.392 1.00 0.00 C ATOM 360 CG LYS A 23 12.157 -4.278 -11.163 1.00 0.00 C ATOM 361 CD LYS A 23 12.254 -3.843 -12.639 1.00 0.00 C ATOM 362 CE LYS A 23 11.185 -4.447 -13.566 1.00 0.00 C ATOM 363 NZ LYS A 23 11.519 -5.845 -13.982 1.00 0.00 N ATOM 0 H LYS A 23 12.624 -2.392 -8.950 1.00 0.00 H new ATOM 0 HA LYS A 23 10.065 -3.517 -8.453 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.066 -3.985 -10.770 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.033 -2.533 -10.612 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.101 -4.055 -10.665 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.021 -5.359 -11.120 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.183 -2.756 -12.687 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.239 -4.116 -13.019 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.221 -4.442 -13.057 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.081 -3.822 -14.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.806 -6.186 -14.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.457 -5.859 -14.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.526 -6.464 -13.146 1.00 0.00 H new ATOM 377 N THR A 24 12.484 -5.586 -8.102 1.00 0.00 N ATOM 378 CA THR A 24 12.905 -6.917 -7.611 1.00 0.00 C ATOM 379 C THR A 24 12.822 -7.032 -6.081 1.00 0.00 C ATOM 380 O THR A 24 12.209 -7.958 -5.559 1.00 0.00 O ATOM 381 CB THR A 24 14.335 -7.243 -8.073 1.00 0.00 C ATOM 382 OG1 THR A 24 14.471 -6.982 -9.455 1.00 0.00 O ATOM 383 CG2 THR A 24 14.681 -8.715 -7.856 1.00 0.00 C ATOM 0 H THR A 24 13.257 -4.921 -8.141 1.00 0.00 H new ATOM 0 HA THR A 24 12.209 -7.638 -8.039 1.00 0.00 H new ATOM 0 HB THR A 24 15.005 -6.618 -7.482 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.743 -6.050 -9.587 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.700 -8.903 -8.195 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.602 -8.955 -6.796 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.989 -9.339 -8.422 1.00 0.00 H new ATOM 391 N LEU A 25 13.435 -6.093 -5.348 1.00 0.00 N ATOM 392 CA LEU A 25 13.626 -6.168 -3.886 1.00 0.00 C ATOM 393 C LEU A 25 12.372 -5.731 -3.111 1.00 0.00 C ATOM 394 O LEU A 25 12.108 -6.221 -2.014 1.00 0.00 O ATOM 395 CB LEU A 25 14.877 -5.339 -3.499 1.00 0.00 C ATOM 396 CG LEU A 25 16.173 -5.790 -4.210 1.00 0.00 C ATOM 397 CD1 LEU A 25 17.286 -4.783 -3.950 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.645 -7.169 -3.749 1.00 0.00 C ATOM 0 H LEU A 25 13.821 -5.243 -5.758 1.00 0.00 H new ATOM 0 HA LEU A 25 13.791 -7.208 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.692 -4.291 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.024 -5.404 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 25 15.944 -5.848 -5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.196 -5.108 -4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.989 -3.806 -4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.471 -4.713 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.559 -7.437 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.841 -7.147 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.872 -7.908 -3.961 1.00 0.00 H new ATOM 410 N GLY A 26 11.578 -4.836 -3.711 1.00 0.00 N ATOM 411 CA GLY A 26 10.274 -4.370 -3.237 1.00 0.00 C ATOM 412 C GLY A 26 9.081 -5.010 -3.948 1.00 0.00 C ATOM 413 O GLY A 26 7.969 -4.493 -3.848 1.00 0.00 O ATOM 0 H GLY A 26 11.846 -4.394 -4.590 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.196 -4.571 -2.169 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.220 -3.289 -3.363 1.00 0.00 H new ATOM 417 N ALA A 27 9.287 -6.102 -4.687 1.00 0.00 N ATOM 418 CA ALA A 27 8.269 -6.731 -5.534 1.00 0.00 C ATOM 419 C ALA A 27 6.962 -7.050 -4.773 1.00 0.00 C ATOM 420 O ALA A 27 6.942 -7.895 -3.876 1.00 0.00 O ATOM 421 CB ALA A 27 8.862 -8.007 -6.148 1.00 0.00 C ATOM 0 H ALA A 27 10.185 -6.585 -4.715 1.00 0.00 H new ATOM 0 HA ALA A 27 7.995 -6.022 -6.315 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.116 -8.487 -6.781 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.736 -7.750 -6.747 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.156 -8.691 -5.352 1.00 0.00 H new ATOM 427 N GLY A 28 5.865 -6.365 -5.128 1.00 0.00 N ATOM 428 CA GLY A 28 4.523 -6.610 -4.571 1.00 0.00 C ATOM 429 C GLY A 28 4.230 -5.878 -3.257 1.00 0.00 C ATOM 430 O GLY A 28 3.089 -5.885 -2.795 1.00 0.00 O ATOM 0 H GLY A 28 5.883 -5.615 -5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.778 -6.313 -5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.402 -7.681 -4.409 1.00 0.00 H new ATOM 434 N LYS A 29 5.237 -5.196 -2.690 1.00 0.00 N ATOM 435 CA LYS A 29 5.103 -4.258 -1.558 1.00 0.00 C ATOM 436 C LYS A 29 5.226 -2.801 -1.983 1.00 0.00 C ATOM 437 O LYS A 29 4.602 -1.945 -1.364 1.00 0.00 O ATOM 438 CB LYS A 29 6.040 -4.621 -0.391 1.00 0.00 C ATOM 439 CG LYS A 29 7.513 -4.858 -0.777 1.00 0.00 C ATOM 440 CD LYS A 29 8.370 -5.506 0.323 1.00 0.00 C ATOM 441 CE LYS A 29 8.534 -4.620 1.569 1.00 0.00 C ATOM 442 NZ LYS A 29 9.320 -5.308 2.639 1.00 0.00 N ATOM 0 H LYS A 29 6.200 -5.283 -3.015 1.00 0.00 H new ATOM 0 HA LYS A 29 4.086 -4.370 -1.182 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.000 -3.821 0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.659 -5.521 0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.545 -5.491 -1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.960 -3.903 -1.052 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.917 -6.453 0.616 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.355 -5.736 -0.082 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.033 -3.691 1.292 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.551 -4.351 1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.409 -4.679 3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.831 -6.182 2.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.267 -5.542 2.278 1.00 0.00 H new ATOM 456 N ILE A 30 5.954 -2.513 -3.063 1.00 0.00 N ATOM 457 CA ILE A 30 5.979 -1.185 -3.696 1.00 0.00 C ATOM 458 C ILE A 30 5.712 -1.246 -5.210 1.00 0.00 C ATOM 459 O ILE A 30 5.653 -2.325 -5.799 1.00 0.00 O ATOM 460 CB ILE A 30 7.267 -0.401 -3.326 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.608 -1.058 -3.683 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.318 -0.169 -1.808 1.00 0.00 C ATOM 463 CD1 ILE A 30 8.794 -1.477 -5.142 1.00 0.00 C ATOM 0 H ILE A 30 6.549 -3.197 -3.530 1.00 0.00 H new ATOM 0 HA ILE A 30 5.146 -0.615 -3.285 1.00 0.00 H new ATOM 0 HB ILE A 30 7.178 0.505 -3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.408 -0.365 -3.422 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.734 -1.940 -3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.224 0.382 -1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.445 0.406 -1.498 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.321 -1.130 -1.293 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.778 -1.928 -5.268 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.026 -2.201 -5.413 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.711 -0.601 -5.786 1.00 0.00 H new ATOM 475 N ALA A 31 5.570 -0.077 -5.842 1.00 0.00 N ATOM 476 CA ALA A 31 5.540 0.084 -7.301 1.00 0.00 C ATOM 477 C ALA A 31 6.478 1.238 -7.707 1.00 0.00 C ATOM 478 O ALA A 31 6.613 2.214 -6.966 1.00 0.00 O ATOM 479 CB ALA A 31 4.095 0.257 -7.782 1.00 0.00 C ATOM 0 H ALA A 31 5.470 0.806 -5.342 1.00 0.00 H new ATOM 0 HA ALA A 31 5.914 -0.812 -7.797 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.084 0.376 -8.865 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.512 -0.622 -7.507 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.660 1.141 -7.316 1.00 0.00 H new ATOM 485 N VAL A 32 7.172 1.120 -8.842 1.00 0.00 N ATOM 486 CA VAL A 32 8.256 2.023 -9.235 1.00 0.00 C ATOM 487 C VAL A 32 8.282 2.401 -10.715 1.00 0.00 C ATOM 488 O VAL A 32 7.890 1.620 -11.583 1.00 0.00 O ATOM 489 CB VAL A 32 9.610 1.411 -8.857 1.00 0.00 C ATOM 490 CG1 VAL A 32 9.922 1.783 -7.411 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.736 -0.104 -9.057 1.00 0.00 C ATOM 0 H VAL A 32 6.993 0.383 -9.524 1.00 0.00 H new ATOM 0 HA VAL A 32 8.064 2.947 -8.689 1.00 0.00 H new ATOM 0 HB VAL A 32 10.336 1.831 -9.553 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.883 1.356 -7.125 1.00 0.00 H new ATOM 0 HG12 VAL A 32 9.965 2.868 -7.316 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.142 1.392 -6.758 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.733 -0.429 -8.758 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.990 -0.615 -8.448 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.575 -0.347 -10.107 1.00 0.00 H new ATOM 501 N THR A 33 8.823 3.595 -10.968 1.00 0.00 N ATOM 502 CA THR A 33 8.974 4.210 -12.295 1.00 0.00 C ATOM 503 C THR A 33 10.275 5.021 -12.333 1.00 0.00 C ATOM 504 O THR A 33 10.732 5.503 -11.294 1.00 0.00 O ATOM 505 CB THR A 33 7.776 5.143 -12.583 1.00 0.00 C ATOM 506 OG1 THR A 33 6.550 4.512 -12.264 1.00 0.00 O ATOM 507 CG2 THR A 33 7.661 5.559 -14.051 1.00 0.00 C ATOM 0 H THR A 33 9.185 4.189 -10.222 1.00 0.00 H new ATOM 0 HA THR A 33 9.006 3.427 -13.053 1.00 0.00 H new ATOM 0 HB THR A 33 7.964 6.021 -11.965 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.808 5.124 -12.454 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.798 6.213 -14.177 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.565 6.089 -14.351 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.538 4.672 -14.672 1.00 0.00 H new ATOM 515 N SER A 34 10.892 5.206 -13.499 1.00 0.00 N ATOM 516 CA SER A 34 12.010 6.138 -13.690 1.00 0.00 C ATOM 517 C SER A 34 11.775 7.086 -14.870 1.00 0.00 C ATOM 518 O SER A 34 11.057 6.766 -15.821 1.00 0.00 O ATOM 519 CB SER A 34 13.343 5.402 -13.820 1.00 0.00 C ATOM 520 OG SER A 34 13.417 4.637 -14.996 1.00 0.00 O ATOM 0 H SER A 34 10.629 4.709 -14.350 1.00 0.00 H new ATOM 0 HA SER A 34 12.063 6.754 -12.792 1.00 0.00 H new ATOM 0 HB2 SER A 34 14.158 6.126 -13.808 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.482 4.751 -12.957 1.00 0.00 H new ATOM 0 HG SER A 34 12.709 3.959 -14.990 1.00 0.00 H new ATOM 526 N CYS A 35 12.360 8.283 -14.783 1.00 0.00 N ATOM 527 CA CYS A 35 12.279 9.327 -15.796 1.00 0.00 C ATOM 528 C CYS A 35 13.499 10.254 -15.718 1.00 0.00 C ATOM 529 O CYS A 35 14.416 10.041 -14.922 1.00 0.00 O ATOM 530 CB CYS A 35 10.955 10.082 -15.616 1.00 0.00 C ATOM 531 SG CYS A 35 10.925 11.112 -14.128 1.00 0.00 S ATOM 0 H CYS A 35 12.921 8.557 -13.976 1.00 0.00 H new ATOM 0 HA CYS A 35 12.293 8.888 -16.794 1.00 0.00 H new ATOM 0 HB2 CYS A 35 10.780 10.710 -16.489 1.00 0.00 H new ATOM 0 HB3 CYS A 35 10.137 9.363 -15.570 1.00 0.00 H new ATOM 0 HG CYS A 35 10.480 10.414 -13.126 1.00 0.00 H new ATOM 537 N GLY A 36 13.559 11.289 -16.550 1.00 0.00 N ATOM 538 CA GLY A 36 14.556 12.352 -16.415 1.00 0.00 C ATOM 539 C GLY A 36 14.048 13.697 -16.889 1.00 0.00 C ATOM 540 O GLY A 36 13.014 13.769 -17.541 1.00 0.00 O ATOM 0 H GLY A 36 12.921 11.417 -17.336 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.858 12.430 -15.370 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.446 12.084 -16.984 1.00 0.00 H new ATOM 544 N LEU A 37 14.758 14.784 -16.588 1.00 0.00 N ATOM 545 CA LEU A 37 14.376 16.116 -17.101 1.00 0.00 C ATOM 546 C LEU A 37 14.521 16.236 -18.633 1.00 0.00 C ATOM 547 O LEU A 37 14.017 17.174 -19.247 1.00 0.00 O ATOM 548 CB LEU A 37 15.039 17.264 -16.322 1.00 0.00 C ATOM 549 CG LEU A 37 16.544 17.100 -16.036 1.00 0.00 C ATOM 550 CD1 LEU A 37 17.251 18.454 -16.023 1.00 0.00 C ATOM 551 CD2 LEU A 37 16.753 16.465 -14.659 1.00 0.00 C ATOM 0 H LEU A 37 15.591 14.779 -16.000 1.00 0.00 H new ATOM 0 HA LEU A 37 13.308 16.221 -16.912 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.893 18.188 -16.881 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.519 17.381 -15.371 1.00 0.00 H new ATOM 0 HG LEU A 37 16.956 16.470 -16.824 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.312 18.309 -15.819 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.131 18.936 -16.993 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.815 19.084 -15.248 1.00 0.00 H new ATOM 0 HD21 LEU A 37 17.820 16.354 -14.468 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.312 17.103 -13.893 1.00 0.00 H new ATOM 0 HD23 LEU A 37 16.276 15.485 -14.634 1.00 0.00 H new ATOM 563 N GLU A 38 15.172 15.248 -19.237 1.00 0.00 N ATOM 564 CA GLU A 38 15.262 14.982 -20.675 1.00 0.00 C ATOM 565 C GLU A 38 15.372 13.456 -20.890 1.00 0.00 C ATOM 566 O GLU A 38 15.486 12.694 -19.924 1.00 0.00 O ATOM 567 CB GLU A 38 16.405 15.787 -21.336 1.00 0.00 C ATOM 568 CG GLU A 38 17.797 15.526 -20.742 1.00 0.00 C ATOM 569 CD GLU A 38 18.925 16.320 -21.430 1.00 0.00 C ATOM 570 OE1 GLU A 38 18.937 16.454 -22.678 1.00 0.00 O ATOM 571 OE2 GLU A 38 19.845 16.787 -20.711 1.00 0.00 O ATOM 0 H GLU A 38 15.692 14.557 -18.696 1.00 0.00 H new ATOM 0 HA GLU A 38 14.358 15.327 -21.176 1.00 0.00 H new ATOM 0 HB2 GLU A 38 16.429 15.552 -22.400 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.181 16.850 -21.249 1.00 0.00 H new ATOM 0 HG2 GLU A 38 17.782 15.778 -19.682 1.00 0.00 H new ATOM 0 HG3 GLU A 38 18.019 14.461 -20.814 1.00 0.00 H new ATOM 578 N SER A 39 15.319 12.986 -22.138 1.00 0.00 N ATOM 579 CA SER A 39 15.368 11.557 -22.492 1.00 0.00 C ATOM 580 C SER A 39 16.477 11.245 -23.512 1.00 0.00 C ATOM 581 O SER A 39 16.696 11.981 -24.476 1.00 0.00 O ATOM 582 CB SER A 39 13.994 11.084 -22.996 1.00 0.00 C ATOM 583 OG SER A 39 13.524 11.887 -24.069 1.00 0.00 O ATOM 0 H SER A 39 15.239 13.597 -22.951 1.00 0.00 H new ATOM 0 HA SER A 39 15.616 11.002 -21.587 1.00 0.00 H new ATOM 0 HB2 SER A 39 14.063 10.046 -23.321 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.276 11.114 -22.177 1.00 0.00 H new ATOM 0 HG SER A 39 12.650 11.558 -24.366 1.00 0.00 H new ATOM 589 N SER A 40 17.182 10.130 -23.287 1.00 0.00 N ATOM 590 CA SER A 40 18.203 9.549 -24.178 1.00 0.00 C ATOM 591 C SER A 40 17.737 8.151 -24.641 1.00 0.00 C ATOM 592 O SER A 40 16.592 7.990 -25.074 1.00 0.00 O ATOM 593 CB SER A 40 19.550 9.591 -23.430 1.00 0.00 C ATOM 594 OG SER A 40 20.632 9.024 -24.158 1.00 0.00 O ATOM 0 H SER A 40 17.052 9.579 -22.439 1.00 0.00 H new ATOM 0 HA SER A 40 18.343 10.114 -25.100 1.00 0.00 H new ATOM 0 HB2 SER A 40 19.789 10.627 -23.191 1.00 0.00 H new ATOM 0 HB3 SER A 40 19.445 9.061 -22.483 1.00 0.00 H new ATOM 0 HG SER A 40 21.480 9.357 -23.796 1.00 0.00 H new ATOM 600 N ARG A 41 18.602 7.137 -24.534 1.00 0.00 N ATOM 601 CA ARG A 41 18.339 5.703 -24.727 1.00 0.00 C ATOM 602 C ARG A 41 18.628 4.963 -23.424 1.00 0.00 C ATOM 603 O ARG A 41 19.563 5.343 -22.721 1.00 0.00 O ATOM 604 CB ARG A 41 19.154 5.168 -25.930 1.00 0.00 C ATOM 605 CG ARG A 41 20.670 4.923 -25.731 1.00 0.00 C ATOM 606 CD ARG A 41 21.502 6.147 -25.312 1.00 0.00 C ATOM 607 NE ARG A 41 22.941 5.818 -25.214 1.00 0.00 N ATOM 608 CZ ARG A 41 23.828 6.317 -24.363 1.00 0.00 C ATOM 609 NH1 ARG A 41 23.545 7.276 -23.527 1.00 0.00 N ATOM 610 NH2 ARG A 41 25.035 5.840 -24.319 1.00 0.00 N ATOM 0 H ARG A 41 19.578 7.308 -24.292 1.00 0.00 H new ATOM 0 HA ARG A 41 17.290 5.533 -24.971 1.00 0.00 H new ATOM 0 HB2 ARG A 41 18.703 4.228 -26.247 1.00 0.00 H new ATOM 0 HB3 ARG A 41 19.035 5.872 -26.753 1.00 0.00 H new ATOM 0 HG2 ARG A 41 20.796 4.147 -24.976 1.00 0.00 H new ATOM 0 HG3 ARG A 41 21.080 4.532 -26.662 1.00 0.00 H new ATOM 0 HD2 ARG A 41 21.360 6.950 -26.036 1.00 0.00 H new ATOM 0 HD3 ARG A 41 21.146 6.518 -24.351 1.00 0.00 H new ATOM 0 HE ARG A 41 23.292 5.127 -25.878 1.00 0.00 H new ATOM 0 HH11 ARG A 41 22.607 7.676 -23.508 1.00 0.00 H new ATOM 0 HH12 ARG A 41 24.262 7.627 -22.891 1.00 0.00 H new ATOM 0 HH21 ARG A 41 25.305 5.078 -24.941 1.00 0.00 H new ATOM 0 HH22 ARG A 41 25.713 6.228 -23.663 1.00 0.00 H new ATOM 624 N VAL A 42 17.898 3.894 -23.108 1.00 0.00 N ATOM 625 CA VAL A 42 18.282 3.027 -21.981 1.00 0.00 C ATOM 626 C VAL A 42 19.672 2.442 -22.263 1.00 0.00 C ATOM 627 O VAL A 42 19.931 1.955 -23.366 1.00 0.00 O ATOM 628 CB VAL A 42 17.202 1.961 -21.663 1.00 0.00 C ATOM 629 CG1 VAL A 42 17.540 0.522 -22.039 1.00 0.00 C ATOM 630 CG2 VAL A 42 16.899 2.021 -20.171 1.00 0.00 C ATOM 0 H VAL A 42 17.053 3.606 -23.602 1.00 0.00 H new ATOM 0 HA VAL A 42 18.345 3.617 -21.067 1.00 0.00 H new ATOM 0 HB VAL A 42 16.348 2.218 -22.289 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.709 -0.130 -21.768 1.00 0.00 H new ATOM 0 HG12 VAL A 42 17.716 0.458 -23.113 1.00 0.00 H new ATOM 0 HG13 VAL A 42 18.437 0.207 -21.505 1.00 0.00 H new ATOM 0 HG21 VAL A 42 16.140 1.278 -19.924 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.808 1.813 -19.606 1.00 0.00 H new ATOM 0 HG23 VAL A 42 16.532 3.014 -19.914 1.00 0.00 H new ATOM 640 N HIS A 43 20.600 2.553 -21.308 1.00 0.00 N ATOM 641 CA HIS A 43 21.995 2.188 -21.565 1.00 0.00 C ATOM 642 C HIS A 43 22.153 0.663 -21.654 1.00 0.00 C ATOM 643 O HIS A 43 21.701 -0.038 -20.747 1.00 0.00 O ATOM 644 CB HIS A 43 22.903 2.808 -20.497 1.00 0.00 C ATOM 645 CG HIS A 43 24.332 2.795 -20.938 1.00 0.00 C ATOM 646 ND1 HIS A 43 25.168 1.684 -20.948 1.00 0.00 N ATOM 647 CD2 HIS A 43 24.968 3.846 -21.517 1.00 0.00 C ATOM 648 CE1 HIS A 43 26.318 2.108 -21.507 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.216 3.396 -21.871 1.00 0.00 N ATOM 0 H HIS A 43 20.414 2.888 -20.363 1.00 0.00 H new ATOM 0 HA HIS A 43 22.300 2.591 -22.531 1.00 0.00 H new ATOM 0 HB2 HIS A 43 22.589 3.833 -20.297 1.00 0.00 H new ATOM 0 HB3 HIS A 43 22.802 2.256 -19.563 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.571 4.839 -21.669 1.00 0.00 H new ATOM 0 HE1 HIS A 43 27.198 1.497 -21.643 1.00 0.00 H new ATOM 0 HE2 HIS A 43 26.941 3.946 -22.332 1.00 0.00 H new ATOM 657 N PRO A 44 22.794 0.109 -22.701 1.00 0.00 N ATOM 658 CA PRO A 44 22.785 -1.337 -22.904 1.00 0.00 C ATOM 659 C PRO A 44 23.651 -2.073 -21.871 1.00 0.00 C ATOM 660 O PRO A 44 23.340 -3.202 -21.488 1.00 0.00 O ATOM 661 CB PRO A 44 23.271 -1.531 -24.343 1.00 0.00 C ATOM 662 CG PRO A 44 24.190 -0.331 -24.575 1.00 0.00 C ATOM 663 CD PRO A 44 23.485 0.778 -23.795 1.00 0.00 C ATOM 0 HA PRO A 44 21.793 -1.766 -22.761 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.804 -2.474 -24.463 1.00 0.00 H new ATOM 0 HB3 PRO A 44 22.441 -1.543 -25.049 1.00 0.00 H new ATOM 0 HG2 PRO A 44 25.198 -0.513 -24.201 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.281 -0.088 -25.634 1.00 0.00 H new ATOM 0 HD2 PRO A 44 24.201 1.508 -23.418 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.783 1.318 -24.430 1.00 0.00 H new ATOM 671 N THR A 45 24.689 -1.416 -21.338 1.00 0.00 N ATOM 672 CA THR A 45 25.533 -1.970 -20.268 1.00 0.00 C ATOM 673 C THR A 45 24.813 -1.959 -18.918 1.00 0.00 C ATOM 674 O THR A 45 25.021 -2.865 -18.122 1.00 0.00 O ATOM 675 CB THR A 45 26.882 -1.238 -20.197 1.00 0.00 C ATOM 676 OG1 THR A 45 27.469 -1.138 -21.483 1.00 0.00 O ATOM 677 CG2 THR A 45 27.881 -1.953 -19.289 1.00 0.00 C ATOM 0 H THR A 45 24.969 -0.482 -21.637 1.00 0.00 H new ATOM 0 HA THR A 45 25.735 -3.013 -20.512 1.00 0.00 H new ATOM 0 HB THR A 45 26.667 -0.250 -19.791 1.00 0.00 H new ATOM 0 HG1 THR A 45 28.326 -0.667 -21.416 1.00 0.00 H new ATOM 0 HG21 THR A 45 28.819 -1.398 -19.271 1.00 0.00 H new ATOM 0 HG22 THR A 45 27.476 -2.013 -18.279 1.00 0.00 H new ATOM 0 HG23 THR A 45 28.062 -2.959 -19.668 1.00 0.00 H new ATOM 685 N ALA A 46 23.881 -1.029 -18.672 1.00 0.00 N ATOM 686 CA ALA A 46 23.044 -1.045 -17.465 1.00 0.00 C ATOM 687 C ALA A 46 22.248 -2.350 -17.327 1.00 0.00 C ATOM 688 O ALA A 46 22.257 -2.976 -16.269 1.00 0.00 O ATOM 689 CB ALA A 46 22.081 0.148 -17.511 1.00 0.00 C ATOM 0 H ALA A 46 23.687 -0.249 -19.300 1.00 0.00 H new ATOM 0 HA ALA A 46 23.701 -0.975 -16.598 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.455 0.145 -16.619 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.652 1.075 -17.550 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.450 0.073 -18.397 1.00 0.00 H new ATOM 695 N ILE A 47 21.622 -2.792 -18.419 1.00 0.00 N ATOM 696 CA ILE A 47 20.898 -4.071 -18.486 1.00 0.00 C ATOM 697 C ILE A 47 21.855 -5.233 -18.195 1.00 0.00 C ATOM 698 O ILE A 47 21.562 -6.061 -17.336 1.00 0.00 O ATOM 699 CB ILE A 47 20.228 -4.214 -19.868 1.00 0.00 C ATOM 700 CG1 ILE A 47 19.130 -3.145 -20.092 1.00 0.00 C ATOM 701 CG2 ILE A 47 19.609 -5.607 -20.059 1.00 0.00 C ATOM 702 CD1 ILE A 47 19.187 -2.570 -21.504 1.00 0.00 C ATOM 0 H ILE A 47 21.601 -2.269 -19.294 1.00 0.00 H new ATOM 0 HA ILE A 47 20.115 -4.093 -17.728 1.00 0.00 H new ATOM 0 HB ILE A 47 21.021 -4.069 -20.602 1.00 0.00 H new ATOM 0 HG12 ILE A 47 18.149 -3.588 -19.918 1.00 0.00 H new ATOM 0 HG13 ILE A 47 19.250 -2.341 -19.366 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.147 -5.668 -21.044 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.387 -6.366 -19.976 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.853 -5.777 -19.293 1.00 0.00 H new ATOM 0 HD11 ILE A 47 18.402 -1.823 -21.625 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.159 -2.105 -21.668 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.041 -3.371 -22.229 1.00 0.00 H new ATOM 714 N ALA A 48 23.040 -5.246 -18.812 1.00 0.00 N ATOM 715 CA ALA A 48 24.038 -6.298 -18.582 1.00 0.00 C ATOM 716 C ALA A 48 24.497 -6.367 -17.113 1.00 0.00 C ATOM 717 O ALA A 48 24.645 -7.445 -16.540 1.00 0.00 O ATOM 718 CB ALA A 48 25.227 -6.059 -19.516 1.00 0.00 C ATOM 0 H ALA A 48 23.334 -4.534 -19.480 1.00 0.00 H new ATOM 0 HA ALA A 48 23.578 -7.262 -18.799 1.00 0.00 H new ATOM 0 HB1 ALA A 48 25.977 -6.834 -19.356 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.888 -6.090 -20.552 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.664 -5.083 -19.307 1.00 0.00 H new ATOM 724 N MET A 49 24.671 -5.203 -16.480 1.00 0.00 N ATOM 725 CA MET A 49 25.112 -5.056 -15.086 1.00 0.00 C ATOM 726 C MET A 49 24.001 -5.390 -14.084 1.00 0.00 C ATOM 727 O MET A 49 24.304 -5.767 -12.953 1.00 0.00 O ATOM 728 CB MET A 49 25.668 -3.642 -14.881 1.00 0.00 C ATOM 729 CG MET A 49 26.872 -3.360 -15.784 1.00 0.00 C ATOM 730 SD MET A 49 28.480 -3.767 -15.061 1.00 0.00 S ATOM 731 CE MET A 49 28.736 -5.433 -15.709 1.00 0.00 C ATOM 0 H MET A 49 24.504 -4.307 -16.937 1.00 0.00 H new ATOM 0 HA MET A 49 25.904 -5.779 -14.893 1.00 0.00 H new ATOM 0 HB2 MET A 49 24.884 -2.912 -15.084 1.00 0.00 H new ATOM 0 HB3 MET A 49 25.960 -3.515 -13.838 1.00 0.00 H new ATOM 0 HG2 MET A 49 26.753 -3.923 -16.709 1.00 0.00 H new ATOM 0 HG3 MET A 49 26.867 -2.303 -16.051 1.00 0.00 H new ATOM 0 HE1 MET A 49 29.734 -5.779 -15.439 1.00 0.00 H new ATOM 0 HE2 MET A 49 27.991 -6.107 -15.285 1.00 0.00 H new ATOM 0 HE3 MET A 49 28.638 -5.420 -16.795 1.00 0.00 H new ATOM 741 N MET A 50 22.733 -5.284 -14.494 1.00 0.00 N ATOM 742 CA MET A 50 21.574 -5.779 -13.739 1.00 0.00 C ATOM 743 C MET A 50 21.439 -7.304 -13.906 1.00 0.00 C ATOM 744 O MET A 50 21.137 -8.005 -12.942 1.00 0.00 O ATOM 745 CB MET A 50 20.301 -5.052 -14.209 1.00 0.00 C ATOM 746 CG MET A 50 20.278 -3.560 -13.840 1.00 0.00 C ATOM 747 SD MET A 50 19.148 -3.118 -12.499 1.00 0.00 S ATOM 748 CE MET A 50 19.960 -3.945 -11.114 1.00 0.00 C ATOM 0 H MET A 50 22.477 -4.843 -15.377 1.00 0.00 H new ATOM 0 HA MET A 50 21.718 -5.572 -12.679 1.00 0.00 H new ATOM 0 HB2 MET A 50 20.213 -5.152 -15.291 1.00 0.00 H new ATOM 0 HB3 MET A 50 19.430 -5.540 -13.771 1.00 0.00 H new ATOM 0 HG2 MET A 50 21.286 -3.256 -13.560 1.00 0.00 H new ATOM 0 HG3 MET A 50 20.007 -2.987 -14.726 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.409 -3.743 -10.196 1.00 0.00 H new ATOM 0 HE2 MET A 50 19.983 -5.020 -11.295 1.00 0.00 H new ATOM 0 HE3 MET A 50 20.979 -3.572 -11.015 1.00 0.00 H new ATOM 758 N GLU A 51 21.748 -7.852 -15.087 1.00 0.00 N ATOM 759 CA GLU A 51 21.675 -9.298 -15.328 1.00 0.00 C ATOM 760 C GLU A 51 22.740 -10.095 -14.550 1.00 0.00 C ATOM 761 O GLU A 51 22.486 -11.248 -14.200 1.00 0.00 O ATOM 762 CB GLU A 51 21.772 -9.613 -16.830 1.00 0.00 C ATOM 763 CG GLU A 51 20.473 -9.315 -17.588 1.00 0.00 C ATOM 764 CD GLU A 51 20.592 -9.772 -19.055 1.00 0.00 C ATOM 765 OE1 GLU A 51 21.310 -9.124 -19.856 1.00 0.00 O ATOM 766 OE2 GLU A 51 19.973 -10.803 -19.422 1.00 0.00 O ATOM 0 H GLU A 51 22.053 -7.311 -15.896 1.00 0.00 H new ATOM 0 HA GLU A 51 20.701 -9.617 -14.955 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.583 -9.030 -17.267 1.00 0.00 H new ATOM 0 HB3 GLU A 51 22.029 -10.664 -16.960 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.638 -9.826 -17.108 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.258 -8.247 -17.549 1.00 0.00 H new ATOM 773 N GLU A 52 23.883 -9.492 -14.186 1.00 0.00 N ATOM 774 CA GLU A 52 24.867 -10.139 -13.292 1.00 0.00 C ATOM 775 C GLU A 52 24.279 -10.496 -11.911 1.00 0.00 C ATOM 776 O GLU A 52 24.714 -11.466 -11.285 1.00 0.00 O ATOM 777 CB GLU A 52 26.080 -9.236 -13.041 1.00 0.00 C ATOM 778 CG GLU A 52 26.887 -8.838 -14.280 1.00 0.00 C ATOM 779 CD GLU A 52 28.321 -8.451 -13.901 1.00 0.00 C ATOM 780 OE1 GLU A 52 28.491 -7.544 -13.051 1.00 0.00 O ATOM 781 OE2 GLU A 52 29.286 -9.011 -14.466 1.00 0.00 O ATOM 0 H GLU A 52 24.152 -8.558 -14.495 1.00 0.00 H new ATOM 0 HA GLU A 52 25.160 -11.051 -13.813 1.00 0.00 H new ATOM 0 HB2 GLU A 52 25.736 -8.327 -12.548 1.00 0.00 H new ATOM 0 HB3 GLU A 52 26.748 -9.743 -12.344 1.00 0.00 H new ATOM 0 HG2 GLU A 52 26.905 -9.667 -14.988 1.00 0.00 H new ATOM 0 HG3 GLU A 52 26.401 -8.001 -14.781 1.00 0.00 H new ATOM 788 N VAL A 53 23.283 -9.728 -11.443 1.00 0.00 N ATOM 789 CA VAL A 53 22.538 -9.966 -10.188 1.00 0.00 C ATOM 790 C VAL A 53 21.149 -10.583 -10.432 1.00 0.00 C ATOM 791 O VAL A 53 20.320 -10.649 -9.524 1.00 0.00 O ATOM 792 CB VAL A 53 22.499 -8.703 -9.296 1.00 0.00 C ATOM 793 CG1 VAL A 53 23.912 -8.296 -8.857 1.00 0.00 C ATOM 794 CG2 VAL A 53 21.856 -7.486 -9.977 1.00 0.00 C ATOM 0 H VAL A 53 22.961 -8.898 -11.940 1.00 0.00 H new ATOM 0 HA VAL A 53 23.091 -10.719 -9.626 1.00 0.00 H new ATOM 0 HB VAL A 53 21.885 -8.984 -8.441 1.00 0.00 H new ATOM 0 HG11 VAL A 53 23.856 -7.405 -8.231 1.00 0.00 H new ATOM 0 HG12 VAL A 53 24.366 -9.110 -8.291 1.00 0.00 H new ATOM 0 HG13 VAL A 53 24.519 -8.084 -9.737 1.00 0.00 H new ATOM 0 HG21 VAL A 53 21.864 -6.639 -9.291 1.00 0.00 H new ATOM 0 HG22 VAL A 53 22.419 -7.232 -10.875 1.00 0.00 H new ATOM 0 HG23 VAL A 53 20.827 -7.723 -10.249 1.00 0.00 H new ATOM 804 N GLY A 54 20.889 -11.058 -11.659 1.00 0.00 N ATOM 805 CA GLY A 54 19.644 -11.726 -12.061 1.00 0.00 C ATOM 806 C GLY A 54 18.424 -10.801 -12.205 1.00 0.00 C ATOM 807 O GLY A 54 17.286 -11.276 -12.154 1.00 0.00 O ATOM 0 H GLY A 54 21.561 -10.985 -12.423 1.00 0.00 H new ATOM 0 HA2 GLY A 54 19.812 -12.231 -13.012 1.00 0.00 H new ATOM 0 HA3 GLY A 54 19.411 -12.498 -11.327 1.00 0.00 H new ATOM 811 N ILE A 55 18.646 -9.491 -12.362 1.00 0.00 N ATOM 812 CA ILE A 55 17.606 -8.458 -12.484 1.00 0.00 C ATOM 813 C ILE A 55 17.428 -8.065 -13.958 1.00 0.00 C ATOM 814 O ILE A 55 18.401 -7.917 -14.697 1.00 0.00 O ATOM 815 CB ILE A 55 17.945 -7.263 -11.563 1.00 0.00 C ATOM 816 CG1 ILE A 55 17.861 -7.725 -10.089 1.00 0.00 C ATOM 817 CG2 ILE A 55 17.023 -6.055 -11.810 1.00 0.00 C ATOM 818 CD1 ILE A 55 18.115 -6.648 -9.028 1.00 0.00 C ATOM 0 H ILE A 55 19.589 -9.105 -12.410 1.00 0.00 H new ATOM 0 HA ILE A 55 16.644 -8.846 -12.150 1.00 0.00 H new ATOM 0 HB ILE A 55 18.957 -6.930 -11.791 1.00 0.00 H new ATOM 0 HG12 ILE A 55 16.871 -8.148 -9.918 1.00 0.00 H new ATOM 0 HG13 ILE A 55 18.581 -8.529 -9.940 1.00 0.00 H new ATOM 0 HG21 ILE A 55 17.301 -5.242 -11.139 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.126 -5.724 -12.843 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.988 -6.343 -11.622 1.00 0.00 H new ATOM 0 HD11 ILE A 55 18.030 -7.089 -8.035 1.00 0.00 H new ATOM 0 HD12 ILE A 55 19.117 -6.238 -9.158 1.00 0.00 H new ATOM 0 HD13 ILE A 55 17.380 -5.851 -9.136 1.00 0.00 H new ATOM 830 N ASP A 56 16.176 -7.867 -14.377 1.00 0.00 N ATOM 831 CA ASP A 56 15.814 -7.487 -15.746 1.00 0.00 C ATOM 832 C ASP A 56 15.193 -6.084 -15.800 1.00 0.00 C ATOM 833 O ASP A 56 14.136 -5.838 -15.212 1.00 0.00 O ATOM 834 CB ASP A 56 14.883 -8.553 -16.348 1.00 0.00 C ATOM 835 CG ASP A 56 14.406 -8.197 -17.768 1.00 0.00 C ATOM 836 OD1 ASP A 56 15.139 -7.490 -18.503 1.00 0.00 O ATOM 837 OD2 ASP A 56 13.290 -8.618 -18.151 1.00 0.00 O ATOM 0 H ASP A 56 15.368 -7.968 -13.762 1.00 0.00 H new ATOM 0 HA ASP A 56 16.721 -7.441 -16.349 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.404 -9.510 -16.374 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.016 -8.679 -15.700 1.00 0.00 H new ATOM 842 N ILE A 57 15.834 -5.186 -16.559 1.00 0.00 N ATOM 843 CA ILE A 57 15.324 -3.849 -16.916 1.00 0.00 C ATOM 844 C ILE A 57 15.170 -3.649 -18.437 1.00 0.00 C ATOM 845 O ILE A 57 14.970 -2.529 -18.898 1.00 0.00 O ATOM 846 CB ILE A 57 16.160 -2.728 -16.248 1.00 0.00 C ATOM 847 CG1 ILE A 57 17.630 -2.704 -16.713 1.00 0.00 C ATOM 848 CG2 ILE A 57 16.090 -2.852 -14.718 1.00 0.00 C ATOM 849 CD1 ILE A 57 18.366 -1.404 -16.358 1.00 0.00 C ATOM 0 H ILE A 57 16.754 -5.374 -16.957 1.00 0.00 H new ATOM 0 HA ILE A 57 14.314 -3.780 -16.513 1.00 0.00 H new ATOM 0 HB ILE A 57 15.718 -1.783 -16.563 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.158 -3.545 -16.264 1.00 0.00 H new ATOM 0 HG13 ILE A 57 17.663 -2.847 -17.793 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.682 -2.059 -14.261 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.053 -2.765 -14.393 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.486 -3.821 -14.413 1.00 0.00 H new ATOM 0 HD11 ILE A 57 19.394 -1.459 -16.716 1.00 0.00 H new ATOM 0 HD12 ILE A 57 17.862 -0.560 -16.829 1.00 0.00 H new ATOM 0 HD13 ILE A 57 18.365 -1.269 -15.276 1.00 0.00 H new ATOM 861 N SER A 58 15.262 -4.714 -19.246 1.00 0.00 N ATOM 862 CA SER A 58 15.263 -4.630 -20.721 1.00 0.00 C ATOM 863 C SER A 58 13.941 -4.126 -21.327 1.00 0.00 C ATOM 864 O SER A 58 13.933 -3.613 -22.447 1.00 0.00 O ATOM 865 CB SER A 58 15.647 -5.986 -21.332 1.00 0.00 C ATOM 866 OG SER A 58 14.709 -6.990 -20.999 1.00 0.00 O ATOM 0 H SER A 58 15.339 -5.669 -18.896 1.00 0.00 H new ATOM 0 HA SER A 58 16.011 -3.879 -20.975 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.711 -5.892 -22.416 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.636 -6.279 -20.978 1.00 0.00 H new ATOM 0 HG SER A 58 14.656 -7.078 -20.024 1.00 0.00 H new ATOM 872 N GLY A 59 12.833 -4.208 -20.575 1.00 0.00 N ATOM 873 CA GLY A 59 11.531 -3.633 -20.939 1.00 0.00 C ATOM 874 C GLY A 59 11.392 -2.122 -20.692 1.00 0.00 C ATOM 875 O GLY A 59 10.345 -1.556 -21.006 1.00 0.00 O ATOM 0 H GLY A 59 12.818 -4.688 -19.675 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.346 -3.831 -21.995 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.753 -4.150 -20.377 1.00 0.00 H new ATOM 879 N GLN A 60 12.413 -1.458 -20.131 1.00 0.00 N ATOM 880 CA GLN A 60 12.430 -0.016 -19.870 1.00 0.00 C ATOM 881 C GLN A 60 13.074 0.744 -21.044 1.00 0.00 C ATOM 882 O GLN A 60 13.870 0.203 -21.812 1.00 0.00 O ATOM 883 CB GLN A 60 13.139 0.269 -18.533 1.00 0.00 C ATOM 884 CG GLN A 60 12.334 -0.196 -17.305 1.00 0.00 C ATOM 885 CD GLN A 60 13.195 -0.471 -16.065 1.00 0.00 C ATOM 886 OE1 GLN A 60 13.065 -1.501 -15.418 1.00 0.00 O ATOM 887 NE2 GLN A 60 14.096 0.407 -15.676 1.00 0.00 N ATOM 0 H GLN A 60 13.272 -1.924 -19.839 1.00 0.00 H new ATOM 0 HA GLN A 60 11.405 0.345 -19.784 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.110 -0.227 -18.532 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.328 1.339 -18.451 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.593 0.565 -17.059 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.787 -1.102 -17.564 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.223 1.273 -16.199 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.667 0.221 -14.852 1.00 0.00 H new ATOM 896 N THR A 61 12.733 2.026 -21.169 1.00 0.00 N ATOM 897 CA THR A 61 13.218 2.989 -22.156 1.00 0.00 C ATOM 898 C THR A 61 13.312 4.329 -21.423 1.00 0.00 C ATOM 899 O THR A 61 12.801 4.477 -20.306 1.00 0.00 O ATOM 900 CB THR A 61 12.292 3.101 -23.388 1.00 0.00 C ATOM 901 OG1 THR A 61 10.949 3.342 -23.024 1.00 0.00 O ATOM 902 CG2 THR A 61 12.327 1.855 -24.274 1.00 0.00 C ATOM 0 H THR A 61 12.058 2.451 -20.533 1.00 0.00 H new ATOM 0 HA THR A 61 14.182 2.668 -22.552 1.00 0.00 H new ATOM 0 HB THR A 61 12.681 3.949 -23.951 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.398 3.408 -23.832 1.00 0.00 H new ATOM 0 HG21 THR A 61 11.657 1.993 -25.123 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.343 1.694 -24.636 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.006 0.988 -23.696 1.00 0.00 H new ATOM 910 N SER A 62 14.011 5.302 -21.996 1.00 0.00 N ATOM 911 CA SER A 62 14.129 6.613 -21.367 1.00 0.00 C ATOM 912 C SER A 62 12.875 7.468 -21.596 1.00 0.00 C ATOM 913 O SER A 62 12.411 7.585 -22.733 1.00 0.00 O ATOM 914 CB SER A 62 15.337 7.329 -21.923 1.00 0.00 C ATOM 915 OG SER A 62 16.513 6.550 -21.797 1.00 0.00 O ATOM 0 H SER A 62 14.500 5.210 -22.886 1.00 0.00 H new ATOM 0 HA SER A 62 14.240 6.463 -20.293 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.168 7.565 -22.974 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.471 8.276 -21.401 1.00 0.00 H new ATOM 0 HG SER A 62 16.752 6.470 -20.850 1.00 0.00 H new ATOM 921 N ASP A 63 12.369 8.116 -20.542 1.00 0.00 N ATOM 922 CA ASP A 63 11.157 8.967 -20.599 1.00 0.00 C ATOM 923 C ASP A 63 11.277 10.309 -19.834 1.00 0.00 C ATOM 924 O ASP A 63 11.950 10.363 -18.801 1.00 0.00 O ATOM 925 CB ASP A 63 9.929 8.192 -20.096 1.00 0.00 C ATOM 926 CG ASP A 63 9.398 7.177 -21.124 1.00 0.00 C ATOM 927 OD1 ASP A 63 8.946 7.601 -22.216 1.00 0.00 O ATOM 928 OD2 ASP A 63 9.369 5.961 -20.817 1.00 0.00 O ATOM 0 H ASP A 63 12.787 8.070 -19.613 1.00 0.00 H new ATOM 0 HA ASP A 63 11.039 9.227 -21.651 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.188 7.668 -19.176 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.137 8.898 -19.848 1.00 0.00 H new ATOM 933 N PRO A 64 10.618 11.393 -20.301 1.00 0.00 N ATOM 934 CA PRO A 64 10.762 12.735 -19.732 1.00 0.00 C ATOM 935 C PRO A 64 9.815 13.026 -18.551 1.00 0.00 C ATOM 936 O PRO A 64 8.643 12.642 -18.553 1.00 0.00 O ATOM 937 CB PRO A 64 10.500 13.684 -20.903 1.00 0.00 C ATOM 938 CG PRO A 64 9.444 12.933 -21.713 1.00 0.00 C ATOM 939 CD PRO A 64 9.850 11.467 -21.541 1.00 0.00 C ATOM 0 HA PRO A 64 11.754 12.855 -19.297 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.137 14.654 -20.565 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.403 13.867 -21.486 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.439 13.120 -21.335 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.452 13.233 -22.761 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.971 10.824 -21.492 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.447 11.128 -22.388 1.00 0.00 H new ATOM 947 N ILE A 65 10.288 13.810 -17.576 1.00 0.00 N ATOM 948 CA ILE A 65 9.564 14.256 -16.373 1.00 0.00 C ATOM 949 C ILE A 65 8.272 15.014 -16.723 1.00 0.00 C ATOM 950 O ILE A 65 7.254 14.857 -16.058 1.00 0.00 O ATOM 951 CB ILE A 65 10.538 15.106 -15.514 1.00 0.00 C ATOM 952 CG1 ILE A 65 10.053 15.171 -14.063 1.00 0.00 C ATOM 953 CG2 ILE A 65 10.788 16.527 -16.062 1.00 0.00 C ATOM 954 CD1 ILE A 65 10.958 15.993 -13.145 1.00 0.00 C ATOM 0 H ILE A 65 11.241 14.173 -17.604 1.00 0.00 H new ATOM 0 HA ILE A 65 9.236 13.390 -15.797 1.00 0.00 H new ATOM 0 HB ILE A 65 11.500 14.595 -15.562 1.00 0.00 H new ATOM 0 HG12 ILE A 65 9.050 15.596 -14.044 1.00 0.00 H new ATOM 0 HG13 ILE A 65 9.977 14.157 -13.670 1.00 0.00 H new ATOM 0 HG21 ILE A 65 11.479 17.054 -15.404 1.00 0.00 H new ATOM 0 HG22 ILE A 65 11.217 16.461 -17.062 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.844 17.071 -16.108 1.00 0.00 H new ATOM 0 HD11 ILE A 65 10.549 15.992 -12.135 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.957 15.556 -13.132 1.00 0.00 H new ATOM 0 HD13 ILE A 65 11.015 17.018 -13.513 1.00 0.00 H new ATOM 966 N GLU A 66 8.292 15.769 -17.826 1.00 0.00 N ATOM 967 CA GLU A 66 7.167 16.603 -18.285 1.00 0.00 C ATOM 968 C GLU A 66 5.881 15.811 -18.610 1.00 0.00 C ATOM 969 O GLU A 66 4.788 16.384 -18.560 1.00 0.00 O ATOM 970 CB GLU A 66 7.596 17.414 -19.522 1.00 0.00 C ATOM 971 CG GLU A 66 8.775 18.355 -19.244 1.00 0.00 C ATOM 972 CD GLU A 66 9.045 19.262 -20.461 1.00 0.00 C ATOM 973 OE1 GLU A 66 9.772 18.843 -21.394 1.00 0.00 O ATOM 974 OE2 GLU A 66 8.535 20.410 -20.492 1.00 0.00 O ATOM 0 H GLU A 66 9.105 15.821 -18.440 1.00 0.00 H new ATOM 0 HA GLU A 66 6.918 17.259 -17.451 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.868 16.727 -20.323 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.748 17.999 -19.878 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.560 18.967 -18.368 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.666 17.771 -19.014 1.00 0.00 H new ATOM 981 N ASN A 67 5.985 14.506 -18.917 1.00 0.00 N ATOM 982 CA ASN A 67 4.823 13.644 -19.191 1.00 0.00 C ATOM 983 C ASN A 67 4.241 12.956 -17.928 1.00 0.00 C ATOM 984 O ASN A 67 3.152 12.380 -17.989 1.00 0.00 O ATOM 985 CB ASN A 67 5.174 12.649 -20.325 1.00 0.00 C ATOM 986 CG ASN A 67 5.380 11.214 -19.848 1.00 0.00 C ATOM 987 OD1 ASN A 67 4.582 10.324 -20.109 1.00 0.00 O ATOM 988 ND2 ASN A 67 6.427 10.946 -19.105 1.00 0.00 N ATOM 0 H ASN A 67 6.879 14.019 -18.982 1.00 0.00 H new ATOM 0 HA ASN A 67 4.007 14.281 -19.532 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.376 12.664 -21.067 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.081 12.989 -20.825 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.571 10.001 -18.749 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.097 11.683 -18.883 1.00 0.00 H new ATOM 995 N PHE A 68 4.962 12.987 -16.800 1.00 0.00 N ATOM 996 CA PHE A 68 4.660 12.214 -15.589 1.00 0.00 C ATOM 997 C PHE A 68 3.915 13.016 -14.504 1.00 0.00 C ATOM 998 O PHE A 68 3.749 14.234 -14.599 1.00 0.00 O ATOM 999 CB PHE A 68 5.965 11.579 -15.080 1.00 0.00 C ATOM 1000 CG PHE A 68 6.442 10.377 -15.876 1.00 0.00 C ATOM 1001 CD1 PHE A 68 5.605 9.255 -16.050 1.00 0.00 C ATOM 1002 CD2 PHE A 68 7.733 10.363 -16.434 1.00 0.00 C ATOM 1003 CE1 PHE A 68 6.047 8.141 -16.785 1.00 0.00 C ATOM 1004 CE2 PHE A 68 8.170 9.252 -17.177 1.00 0.00 C ATOM 1005 CZ PHE A 68 7.331 8.140 -17.351 1.00 0.00 C ATOM 0 H PHE A 68 5.795 13.567 -16.702 1.00 0.00 H new ATOM 0 HA PHE A 68 3.952 11.427 -15.850 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.749 12.337 -15.089 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.825 11.277 -14.042 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.616 9.252 -15.615 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.390 11.208 -16.291 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.399 7.287 -16.914 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.157 9.254 -17.616 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.673 7.287 -17.918 1.00 0.00 H new ATOM 1015 N ASN A 69 3.445 12.311 -13.465 1.00 0.00 N ATOM 1016 CA ASN A 69 2.529 12.824 -12.437 1.00 0.00 C ATOM 1017 C ASN A 69 3.115 12.749 -11.013 1.00 0.00 C ATOM 1018 O ASN A 69 2.848 11.799 -10.277 1.00 0.00 O ATOM 1019 CB ASN A 69 1.163 12.109 -12.594 1.00 0.00 C ATOM 1020 CG ASN A 69 1.213 10.590 -12.775 1.00 0.00 C ATOM 1021 OD1 ASN A 69 0.897 10.063 -13.831 1.00 0.00 O ATOM 1022 ND2 ASN A 69 1.596 9.841 -11.768 1.00 0.00 N ATOM 0 H ASN A 69 3.701 11.335 -13.312 1.00 0.00 H new ATOM 0 HA ASN A 69 2.377 13.893 -12.590 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.558 12.330 -11.715 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.647 12.540 -13.452 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.628 8.827 -11.870 1.00 0.00 H new ATOM 0 HD22 ASN A 69 1.861 10.273 -10.883 1.00 0.00 H new ATOM 1029 N ALA A 70 3.853 13.789 -10.589 1.00 0.00 N ATOM 1030 CA ALA A 70 4.478 13.861 -9.257 1.00 0.00 C ATOM 1031 C ALA A 70 3.506 13.557 -8.103 1.00 0.00 C ATOM 1032 O ALA A 70 3.895 12.940 -7.117 1.00 0.00 O ATOM 1033 CB ALA A 70 5.048 15.266 -9.039 1.00 0.00 C ATOM 0 H ALA A 70 4.034 14.610 -11.166 1.00 0.00 H new ATOM 0 HA ALA A 70 5.256 13.098 -9.243 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.511 15.322 -8.054 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.795 15.478 -9.804 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.244 15.999 -9.104 1.00 0.00 H new ATOM 1039 N ASP A 71 2.240 13.966 -8.253 1.00 0.00 N ATOM 1040 CA ASP A 71 1.184 13.840 -7.238 1.00 0.00 C ATOM 1041 C ASP A 71 0.901 12.390 -6.798 1.00 0.00 C ATOM 1042 O ASP A 71 0.460 12.155 -5.669 1.00 0.00 O ATOM 1043 CB ASP A 71 -0.088 14.466 -7.817 1.00 0.00 C ATOM 1044 CG ASP A 71 -1.227 14.535 -6.785 1.00 0.00 C ATOM 1045 OD1 ASP A 71 -1.118 15.326 -5.817 1.00 0.00 O ATOM 1046 OD2 ASP A 71 -2.249 13.828 -6.957 1.00 0.00 O ATOM 0 H ASP A 71 1.911 14.408 -9.111 1.00 0.00 H new ATOM 0 HA ASP A 71 1.524 14.353 -6.338 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.135 15.471 -8.176 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.416 13.885 -8.679 1.00 0.00 H new ATOM 1051 N ASP A 72 1.162 11.409 -7.670 1.00 0.00 N ATOM 1052 CA ASP A 72 1.007 9.984 -7.347 1.00 0.00 C ATOM 1053 C ASP A 72 2.243 9.376 -6.675 1.00 0.00 C ATOM 1054 O ASP A 72 2.121 8.429 -5.900 1.00 0.00 O ATOM 1055 CB ASP A 72 0.670 9.198 -8.617 1.00 0.00 C ATOM 1056 CG ASP A 72 0.220 7.761 -8.295 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -0.791 7.590 -7.570 1.00 0.00 O ATOM 1058 OD2 ASP A 72 0.858 6.802 -8.788 1.00 0.00 O ATOM 0 H ASP A 72 1.487 11.580 -8.621 1.00 0.00 H new ATOM 0 HA ASP A 72 0.192 9.914 -6.627 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.120 9.713 -9.165 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.543 9.168 -9.269 1.00 0.00 H new ATOM 1063 N TYR A 73 3.438 9.907 -6.946 1.00 0.00 N ATOM 1064 CA TYR A 73 4.693 9.348 -6.464 1.00 0.00 C ATOM 1065 C TYR A 73 4.931 9.800 -5.021 1.00 0.00 C ATOM 1066 O TYR A 73 5.482 10.871 -4.770 1.00 0.00 O ATOM 1067 CB TYR A 73 5.840 9.733 -7.410 1.00 0.00 C ATOM 1068 CG TYR A 73 5.569 9.562 -8.894 1.00 0.00 C ATOM 1069 CD1 TYR A 73 4.866 8.443 -9.385 1.00 0.00 C ATOM 1070 CD2 TYR A 73 6.012 10.555 -9.789 1.00 0.00 C ATOM 1071 CE1 TYR A 73 4.547 8.356 -10.755 1.00 0.00 C ATOM 1072 CE2 TYR A 73 5.689 10.473 -11.153 1.00 0.00 C ATOM 1073 CZ TYR A 73 4.934 9.386 -11.635 1.00 0.00 C ATOM 1074 OH TYR A 73 4.583 9.341 -12.949 1.00 0.00 O ATOM 0 H TYR A 73 3.557 10.746 -7.513 1.00 0.00 H new ATOM 0 HA TYR A 73 4.646 8.259 -6.459 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.100 10.776 -7.227 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.714 9.136 -7.150 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.572 7.652 -8.711 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.602 11.383 -9.425 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.006 7.500 -11.130 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.020 11.244 -11.833 1.00 0.00 H new ATOM 0 HH TYR A 73 5.386 9.221 -13.498 1.00 0.00 H new ATOM 1084 N ASP A 74 4.511 8.968 -4.065 1.00 0.00 N ATOM 1085 CA ASP A 74 4.689 9.200 -2.625 1.00 0.00 C ATOM 1086 C ASP A 74 6.137 9.596 -2.283 1.00 0.00 C ATOM 1087 O ASP A 74 6.368 10.442 -1.421 1.00 0.00 O ATOM 1088 CB ASP A 74 4.317 7.922 -1.863 1.00 0.00 C ATOM 1089 CG ASP A 74 2.892 7.441 -2.146 1.00 0.00 C ATOM 1090 OD1 ASP A 74 1.918 8.049 -1.648 1.00 0.00 O ATOM 1091 OD2 ASP A 74 2.763 6.436 -2.884 1.00 0.00 O ATOM 0 H ASP A 74 4.027 8.095 -4.272 1.00 0.00 H new ATOM 0 HA ASP A 74 4.040 10.025 -2.331 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.019 7.132 -2.129 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.427 8.100 -0.793 1.00 0.00 H new ATOM 1096 N VAL A 75 7.111 9.039 -3.011 1.00 0.00 N ATOM 1097 CA VAL A 75 8.523 9.414 -2.921 1.00 0.00 C ATOM 1098 C VAL A 75 9.085 9.756 -4.299 1.00 0.00 C ATOM 1099 O VAL A 75 8.871 9.017 -5.261 1.00 0.00 O ATOM 1100 CB VAL A 75 9.343 8.288 -2.284 1.00 0.00 C ATOM 1101 CG1 VAL A 75 10.809 8.706 -2.103 1.00 0.00 C ATOM 1102 CG2 VAL A 75 8.758 7.855 -0.936 1.00 0.00 C ATOM 0 H VAL A 75 6.934 8.301 -3.692 1.00 0.00 H new ATOM 0 HA VAL A 75 8.594 10.299 -2.289 1.00 0.00 H new ATOM 0 HB VAL A 75 9.299 7.439 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.367 7.887 -1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.242 8.945 -3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.860 9.583 -1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.367 7.055 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.752 8.704 -0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.738 7.498 -1.080 1.00 0.00 H new ATOM 1112 N VAL A 76 9.886 10.818 -4.385 1.00 0.00 N ATOM 1113 CA VAL A 76 10.663 11.165 -5.588 1.00 0.00 C ATOM 1114 C VAL A 76 12.146 11.247 -5.247 1.00 0.00 C ATOM 1115 O VAL A 76 12.529 11.822 -4.236 1.00 0.00 O ATOM 1116 CB VAL A 76 10.152 12.473 -6.216 1.00 0.00 C ATOM 1117 CG1 VAL A 76 11.079 13.031 -7.306 1.00 0.00 C ATOM 1118 CG2 VAL A 76 8.774 12.249 -6.852 1.00 0.00 C ATOM 0 H VAL A 76 10.019 11.473 -3.615 1.00 0.00 H new ATOM 0 HA VAL A 76 10.529 10.379 -6.331 1.00 0.00 H new ATOM 0 HB VAL A 76 10.109 13.194 -5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.657 13.954 -7.705 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.061 13.236 -6.879 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.178 12.300 -8.109 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.421 13.181 -7.294 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.851 11.486 -7.627 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.070 11.920 -6.088 1.00 0.00 H new ATOM 1128 N ILE A 77 12.991 10.690 -6.105 1.00 0.00 N ATOM 1129 CA ILE A 77 14.447 10.663 -5.938 1.00 0.00 C ATOM 1130 C ILE A 77 15.101 11.339 -7.141 1.00 0.00 C ATOM 1131 O ILE A 77 14.724 11.047 -8.272 1.00 0.00 O ATOM 1132 CB ILE A 77 14.937 9.204 -5.819 1.00 0.00 C ATOM 1133 CG1 ILE A 77 14.157 8.334 -4.805 1.00 0.00 C ATOM 1134 CG2 ILE A 77 16.439 9.163 -5.506 1.00 0.00 C ATOM 1135 CD1 ILE A 77 14.226 8.803 -3.347 1.00 0.00 C ATOM 0 H ILE A 77 12.679 10.231 -6.961 1.00 0.00 H new ATOM 0 HA ILE A 77 14.720 11.197 -5.028 1.00 0.00 H new ATOM 0 HB ILE A 77 14.741 8.760 -6.795 1.00 0.00 H new ATOM 0 HG12 ILE A 77 13.111 8.301 -5.109 1.00 0.00 H new ATOM 0 HG13 ILE A 77 14.537 7.314 -4.859 1.00 0.00 H new ATOM 0 HG21 ILE A 77 16.766 8.126 -5.426 1.00 0.00 H new ATOM 0 HG22 ILE A 77 16.991 9.657 -6.306 1.00 0.00 H new ATOM 0 HG23 ILE A 77 16.628 9.677 -4.564 1.00 0.00 H new ATOM 0 HD11 ILE A 77 13.647 8.126 -2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 77 15.264 8.807 -3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 77 13.816 9.810 -3.269 1.00 0.00 H new ATOM 1147 N SER A 78 16.094 12.196 -6.921 1.00 0.00 N ATOM 1148 CA SER A 78 16.955 12.742 -7.974 1.00 0.00 C ATOM 1149 C SER A 78 18.307 12.023 -7.968 1.00 0.00 C ATOM 1150 O SER A 78 18.840 11.686 -6.917 1.00 0.00 O ATOM 1151 CB SER A 78 17.125 14.249 -7.817 1.00 0.00 C ATOM 1152 OG SER A 78 17.811 14.738 -8.959 1.00 0.00 O ATOM 0 H SER A 78 16.330 12.539 -5.990 1.00 0.00 H new ATOM 0 HA SER A 78 16.479 12.571 -8.939 1.00 0.00 H new ATOM 0 HB2 SER A 78 16.153 14.733 -7.721 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.686 14.476 -6.910 1.00 0.00 H new ATOM 0 HG SER A 78 17.930 15.708 -8.879 1.00 0.00 H new ATOM 1158 N LEU A 79 18.843 11.746 -9.159 1.00 0.00 N ATOM 1159 CA LEU A 79 20.114 11.051 -9.393 1.00 0.00 C ATOM 1160 C LEU A 79 20.896 11.793 -10.489 1.00 0.00 C ATOM 1161 O LEU A 79 21.373 11.190 -11.449 1.00 0.00 O ATOM 1162 CB LEU A 79 19.866 9.556 -9.723 1.00 0.00 C ATOM 1163 CG LEU A 79 19.033 8.738 -8.709 1.00 0.00 C ATOM 1164 CD1 LEU A 79 17.536 8.760 -9.029 1.00 0.00 C ATOM 1165 CD2 LEU A 79 19.432 7.262 -8.766 1.00 0.00 C ATOM 0 H LEU A 79 18.382 12.012 -10.029 1.00 0.00 H new ATOM 0 HA LEU A 79 20.724 11.060 -8.490 1.00 0.00 H new ATOM 0 HB2 LEU A 79 19.368 9.502 -10.691 1.00 0.00 H new ATOM 0 HB3 LEU A 79 20.835 9.069 -9.835 1.00 0.00 H new ATOM 0 HG LEU A 79 19.225 9.192 -7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 79 16.997 8.171 -8.287 1.00 0.00 H new ATOM 0 HD12 LEU A 79 17.175 9.788 -9.009 1.00 0.00 H new ATOM 0 HD13 LEU A 79 17.369 8.337 -10.019 1.00 0.00 H new ATOM 0 HD21 LEU A 79 18.838 6.697 -8.048 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.253 6.875 -9.769 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.490 7.161 -8.522 1.00 0.00 H new ATOM 1213 N VAL A 84 20.565 20.378 -10.773 1.00 0.00 N ATOM 1214 CA VAL A 84 19.124 20.061 -10.833 1.00 0.00 C ATOM 1215 C VAL A 84 18.502 20.210 -9.439 1.00 0.00 C ATOM 1216 O VAL A 84 19.085 19.737 -8.462 1.00 0.00 O ATOM 1217 CB VAL A 84 18.911 18.616 -11.350 1.00 0.00 C ATOM 1218 CG1 VAL A 84 17.421 18.254 -11.460 1.00 0.00 C ATOM 1219 CG2 VAL A 84 19.550 18.394 -12.729 1.00 0.00 C ATOM 0 HA VAL A 84 18.640 20.755 -11.521 1.00 0.00 H new ATOM 0 HB VAL A 84 19.393 17.975 -10.612 1.00 0.00 H new ATOM 0 HG11 VAL A 84 17.321 17.232 -11.826 1.00 0.00 H new ATOM 0 HG12 VAL A 84 16.953 18.335 -10.479 1.00 0.00 H new ATOM 0 HG13 VAL A 84 16.931 18.938 -12.153 1.00 0.00 H new ATOM 0 HG21 VAL A 84 19.375 17.367 -13.050 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.107 19.080 -13.450 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.623 18.577 -12.667 1.00 0.00 H new ATOM 1229 N ASN A 85 17.314 20.823 -9.344 1.00 0.00 N ATOM 1230 CA ASN A 85 16.604 20.986 -8.063 1.00 0.00 C ATOM 1231 C ASN A 85 15.077 20.733 -8.104 1.00 0.00 C ATOM 1232 O ASN A 85 14.430 20.858 -7.069 1.00 0.00 O ATOM 1233 CB ASN A 85 16.974 22.376 -7.500 1.00 0.00 C ATOM 1234 CG ASN A 85 16.942 22.416 -5.980 1.00 0.00 C ATOM 1235 OD1 ASN A 85 16.109 23.060 -5.358 1.00 0.00 O ATOM 1236 ND2 ASN A 85 17.876 21.747 -5.335 1.00 0.00 N ATOM 0 H ASN A 85 16.820 21.218 -10.144 1.00 0.00 H new ATOM 0 HA ASN A 85 16.939 20.195 -7.392 1.00 0.00 H new ATOM 0 HB2 ASN A 85 17.970 22.651 -7.847 1.00 0.00 H new ATOM 0 HB3 ASN A 85 16.282 23.120 -7.894 1.00 0.00 H new ATOM 0 HD21 ASN A 85 17.905 21.766 -4.316 1.00 0.00 H new ATOM 0 HD22 ASN A 85 18.570 21.210 -5.855 1.00 0.00 H new ATOM 1243 N LEU A 86 14.503 20.364 -9.267 1.00 0.00 N ATOM 1244 CA LEU A 86 13.067 20.061 -9.472 1.00 0.00 C ATOM 1245 C LEU A 86 12.092 21.052 -8.773 1.00 0.00 C ATOM 1246 O LEU A 86 11.281 20.633 -7.948 1.00 0.00 O ATOM 1247 CB LEU A 86 12.775 18.589 -9.094 1.00 0.00 C ATOM 1248 CG LEU A 86 13.505 17.469 -9.842 1.00 0.00 C ATOM 1249 CD1 LEU A 86 12.914 16.126 -9.396 1.00 0.00 C ATOM 1250 CD2 LEU A 86 13.280 17.615 -11.343 1.00 0.00 C ATOM 0 H LEU A 86 15.046 20.264 -10.125 1.00 0.00 H new ATOM 0 HA LEU A 86 12.870 20.201 -10.535 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.994 18.473 -8.033 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.705 18.424 -9.218 1.00 0.00 H new ATOM 0 HG LEU A 86 14.572 17.521 -9.625 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.421 15.314 -9.918 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.050 16.007 -8.321 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.850 16.100 -9.632 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.802 16.815 -11.869 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.213 17.555 -11.559 1.00 0.00 H new ATOM 0 HD23 LEU A 86 13.664 18.579 -11.676 1.00 0.00 H new ATOM 1262 N PRO A 87 12.108 22.356 -9.116 1.00 0.00 N ATOM 1263 CA PRO A 87 11.259 23.363 -8.468 1.00 0.00 C ATOM 1264 C PRO A 87 9.715 23.178 -8.502 1.00 0.00 C ATOM 1265 O PRO A 87 9.070 23.840 -7.679 1.00 0.00 O ATOM 1266 CB PRO A 87 11.686 24.706 -9.075 1.00 0.00 C ATOM 1267 CG PRO A 87 12.326 24.338 -10.413 1.00 0.00 C ATOM 1268 CD PRO A 87 12.959 22.982 -10.122 1.00 0.00 C ATOM 0 HA PRO A 87 11.429 23.275 -7.395 1.00 0.00 H new ATOM 0 HB2 PRO A 87 10.831 25.368 -9.213 1.00 0.00 H new ATOM 0 HB3 PRO A 87 12.392 25.227 -8.428 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.587 24.276 -11.212 1.00 0.00 H new ATOM 0 HG3 PRO A 87 13.069 25.073 -10.722 1.00 0.00 H new ATOM 0 HD2 PRO A 87 13.011 22.373 -11.024 1.00 0.00 H new ATOM 0 HD3 PRO A 87 13.979 23.097 -9.755 1.00 0.00 H new ATOM 1276 N PRO A 88 9.071 22.342 -9.359 1.00 0.00 N ATOM 1277 CA PRO A 88 7.615 22.122 -9.303 1.00 0.00 C ATOM 1278 C PRO A 88 7.158 21.208 -8.145 1.00 0.00 C ATOM 1279 O PRO A 88 7.875 20.982 -7.171 1.00 0.00 O ATOM 1280 CB PRO A 88 7.218 21.576 -10.686 1.00 0.00 C ATOM 1281 CG PRO A 88 8.444 21.733 -11.571 1.00 0.00 C ATOM 1282 CD PRO A 88 9.590 21.717 -10.572 1.00 0.00 C ATOM 0 HA PRO A 88 7.104 23.060 -9.083 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.917 20.531 -10.620 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.370 22.127 -11.094 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.527 20.921 -12.294 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.416 22.663 -12.138 1.00 0.00 H new ATOM 0 HD2 PRO A 88 9.922 20.698 -10.375 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.451 22.264 -10.956 1.00 0.00 H new ATOM 1290 N GLU A 89 5.959 20.619 -8.249 1.00 0.00 N ATOM 1291 CA GLU A 89 5.398 19.669 -7.267 1.00 0.00 C ATOM 1292 C GLU A 89 6.248 18.400 -7.017 1.00 0.00 C ATOM 1293 O GLU A 89 6.028 17.686 -6.039 1.00 0.00 O ATOM 1294 CB GLU A 89 3.947 19.294 -7.637 1.00 0.00 C ATOM 1295 CG GLU A 89 3.725 18.820 -9.085 1.00 0.00 C ATOM 1296 CD GLU A 89 3.220 19.963 -9.993 1.00 0.00 C ATOM 1297 OE1 GLU A 89 4.004 20.894 -10.292 1.00 0.00 O ATOM 1298 OE2 GLU A 89 2.033 19.939 -10.405 1.00 0.00 O ATOM 0 H GLU A 89 5.334 20.791 -9.036 1.00 0.00 H new ATOM 0 HA GLU A 89 5.412 20.205 -6.318 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.612 18.507 -6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.311 20.161 -7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.659 18.424 -9.485 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.003 18.003 -9.093 1.00 0.00 H new ATOM 1305 N TRP A 90 7.261 18.138 -7.843 1.00 0.00 N ATOM 1306 CA TRP A 90 8.208 17.016 -7.747 1.00 0.00 C ATOM 1307 C TRP A 90 8.992 16.915 -6.423 1.00 0.00 C ATOM 1308 O TRP A 90 9.456 15.831 -6.086 1.00 0.00 O ATOM 1309 CB TRP A 90 9.143 17.102 -8.959 1.00 0.00 C ATOM 1310 CG TRP A 90 8.470 16.652 -10.221 1.00 0.00 C ATOM 1311 CD1 TRP A 90 7.749 17.413 -11.078 1.00 0.00 C ATOM 1312 CD2 TRP A 90 8.418 15.301 -10.766 1.00 0.00 C ATOM 1313 NE1 TRP A 90 7.167 16.605 -12.039 1.00 0.00 N ATOM 1314 CE2 TRP A 90 7.547 15.289 -11.892 1.00 0.00 C ATOM 1315 CE3 TRP A 90 9.063 14.091 -10.442 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 7.283 14.124 -12.625 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 8.871 12.938 -11.217 1.00 0.00 C ATOM 1318 CH2 TRP A 90 7.979 12.948 -12.300 1.00 0.00 C ATOM 0 H TRP A 90 7.458 18.736 -8.646 1.00 0.00 H new ATOM 0 HA TRP A 90 7.627 16.094 -7.750 1.00 0.00 H new ATOM 0 HB2 TRP A 90 9.488 18.129 -9.079 1.00 0.00 H new ATOM 0 HB3 TRP A 90 10.026 16.488 -8.780 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.644 18.486 -11.020 1.00 0.00 H new ATOM 0 HE1 TRP A 90 6.535 16.942 -12.766 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.716 14.051 -9.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 6.558 14.130 -13.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 9.414 12.035 -10.978 1.00 0.00 H new ATOM 0 HH2 TRP A 90 7.828 12.052 -12.883 1.00 0.00 H new ATOM 1329 N VAL A 91 9.107 18.002 -5.650 1.00 0.00 N ATOM 1330 CA VAL A 91 9.864 18.043 -4.372 1.00 0.00 C ATOM 1331 C VAL A 91 9.002 18.147 -3.108 1.00 0.00 C ATOM 1332 O VAL A 91 9.504 17.918 -2.010 1.00 0.00 O ATOM 1333 CB VAL A 91 10.908 19.176 -4.372 1.00 0.00 C ATOM 1334 CG1 VAL A 91 12.021 18.864 -5.368 1.00 0.00 C ATOM 1335 CG2 VAL A 91 10.279 20.550 -4.668 1.00 0.00 C ATOM 0 H VAL A 91 8.675 18.894 -5.889 1.00 0.00 H new ATOM 0 HA VAL A 91 10.357 17.072 -4.327 1.00 0.00 H new ATOM 0 HB VAL A 91 11.331 19.232 -3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 91 12.753 19.671 -5.360 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.508 17.930 -5.089 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.598 18.768 -6.368 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.055 21.315 -4.657 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.804 20.529 -5.649 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.532 20.780 -3.908 1.00 0.00 H new ATOM 1345 N THR A 92 7.706 18.448 -3.248 1.00 0.00 N ATOM 1346 CA THR A 92 6.758 18.597 -2.117 1.00 0.00 C ATOM 1347 C THR A 92 5.926 17.320 -1.864 1.00 0.00 C ATOM 1348 O THR A 92 4.899 17.326 -1.182 1.00 0.00 O ATOM 1349 CB THR A 92 5.960 19.910 -2.253 1.00 0.00 C ATOM 1350 OG1 THR A 92 5.288 20.251 -1.056 1.00 0.00 O ATOM 1351 CG2 THR A 92 4.962 19.871 -3.404 1.00 0.00 C ATOM 0 H THR A 92 7.272 18.599 -4.159 1.00 0.00 H new ATOM 0 HA THR A 92 7.321 18.699 -1.189 1.00 0.00 H new ATOM 0 HB THR A 92 6.701 20.679 -2.470 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.831 19.460 -0.701 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.428 20.820 -3.455 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.493 19.704 -4.341 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.250 19.062 -3.241 1.00 0.00 H new ATOM 1359 N GLN A 93 6.388 16.187 -2.416 1.00 0.00 N ATOM 1360 CA GLN A 93 5.874 14.850 -2.108 1.00 0.00 C ATOM 1361 C GLN A 93 6.329 14.412 -0.696 1.00 0.00 C ATOM 1362 O GLN A 93 7.069 15.130 -0.016 1.00 0.00 O ATOM 1363 CB GLN A 93 6.299 13.858 -3.208 1.00 0.00 C ATOM 1364 CG GLN A 93 5.816 14.264 -4.614 1.00 0.00 C ATOM 1365 CD GLN A 93 4.345 14.693 -4.645 1.00 0.00 C ATOM 1366 OE1 GLN A 93 3.444 14.029 -4.147 1.00 0.00 O ATOM 1367 NE2 GLN A 93 4.048 15.869 -5.166 1.00 0.00 N ATOM 0 H GLN A 93 7.143 16.178 -3.101 1.00 0.00 H new ATOM 0 HA GLN A 93 4.784 14.867 -2.095 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.386 13.777 -3.214 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.907 12.870 -2.968 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.435 15.083 -4.982 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.958 13.426 -5.296 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.781 16.440 -5.586 1.00 0.00 H new ATOM 0 HE22 GLN A 93 3.086 16.206 -5.148 1.00 0.00 H new ATOM 1376 N GLU A 94 5.883 13.243 -0.221 1.00 0.00 N ATOM 1377 CA GLU A 94 6.077 12.834 1.186 1.00 0.00 C ATOM 1378 C GLU A 94 7.561 12.676 1.567 1.00 0.00 C ATOM 1379 O GLU A 94 7.949 13.066 2.671 1.00 0.00 O ATOM 1380 CB GLU A 94 5.251 11.568 1.488 1.00 0.00 C ATOM 1381 CG GLU A 94 5.380 11.121 2.947 1.00 0.00 C ATOM 1382 CD GLU A 94 4.386 9.995 3.274 1.00 0.00 C ATOM 1383 OE1 GLU A 94 4.715 8.805 3.053 1.00 0.00 O ATOM 1384 OE2 GLU A 94 3.272 10.279 3.781 1.00 0.00 O ATOM 0 H GLU A 94 5.383 12.558 -0.788 1.00 0.00 H new ATOM 0 HA GLU A 94 5.708 13.640 1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.202 11.759 1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.577 10.760 0.833 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.397 10.778 3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 94 5.202 11.970 3.607 1.00 0.00 H new ATOM 1391 N ILE A 95 8.402 12.179 0.650 1.00 0.00 N ATOM 1392 CA ILE A 95 9.870 12.169 0.791 1.00 0.00 C ATOM 1393 C ILE A 95 10.528 12.581 -0.538 1.00 0.00 C ATOM 1394 O ILE A 95 10.114 12.128 -1.610 1.00 0.00 O ATOM 1395 CB ILE A 95 10.407 10.790 1.275 1.00 0.00 C ATOM 1396 CG1 ILE A 95 9.664 10.271 2.531 1.00 0.00 C ATOM 1397 CG2 ILE A 95 11.928 10.850 1.529 1.00 0.00 C ATOM 1398 CD1 ILE A 95 10.146 8.906 3.039 1.00 0.00 C ATOM 0 H ILE A 95 8.080 11.766 -0.225 1.00 0.00 H new ATOM 0 HA ILE A 95 10.135 12.894 1.560 1.00 0.00 H new ATOM 0 HB ILE A 95 10.213 10.078 0.473 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.776 11.002 3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.599 10.205 2.306 1.00 0.00 H new ATOM 0 HG21 ILE A 95 12.279 9.875 1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 95 12.441 11.121 0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 95 12.140 11.597 2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 95 9.571 8.622 3.920 1.00 0.00 H new ATOM 0 HD12 ILE A 95 10.008 8.158 2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.203 8.967 3.300 1.00 0.00 H new ATOM 1410 N PHE A 96 11.571 13.415 -0.461 1.00 0.00 N ATOM 1411 CA PHE A 96 12.462 13.732 -1.580 1.00 0.00 C ATOM 1412 C PHE A 96 13.928 13.515 -1.163 1.00 0.00 C ATOM 1413 O PHE A 96 14.330 13.927 -0.073 1.00 0.00 O ATOM 1414 CB PHE A 96 12.199 15.137 -2.148 1.00 0.00 C ATOM 1415 CG PHE A 96 13.194 15.542 -3.225 1.00 0.00 C ATOM 1416 CD1 PHE A 96 12.988 15.201 -4.580 1.00 0.00 C ATOM 1417 CD2 PHE A 96 14.382 16.205 -2.850 1.00 0.00 C ATOM 1418 CE1 PHE A 96 13.983 15.488 -5.534 1.00 0.00 C ATOM 1419 CE2 PHE A 96 15.360 16.512 -3.809 1.00 0.00 C ATOM 1420 CZ PHE A 96 15.163 16.149 -5.153 1.00 0.00 C ATOM 0 H PHE A 96 11.824 13.899 0.401 1.00 0.00 H new ATOM 0 HA PHE A 96 12.249 13.046 -2.400 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.191 15.172 -2.561 1.00 0.00 H new ATOM 0 HB3 PHE A 96 12.236 15.863 -1.336 1.00 0.00 H new ATOM 0 HD1 PHE A 96 12.069 14.721 -4.884 1.00 0.00 H new ATOM 0 HD2 PHE A 96 14.540 16.478 -1.817 1.00 0.00 H new ATOM 0 HE1 PHE A 96 13.838 15.198 -6.564 1.00 0.00 H new ATOM 0 HE2 PHE A 96 16.263 17.026 -3.515 1.00 0.00 H new ATOM 0 HZ PHE A 96 15.917 16.378 -5.891 1.00 0.00 H new ATOM 1430 N GLU A 97 14.728 12.880 -2.028 1.00 0.00 N ATOM 1431 CA GLU A 97 16.171 12.655 -1.822 1.00 0.00 C ATOM 1432 C GLU A 97 16.985 12.947 -3.100 1.00 0.00 C ATOM 1433 O GLU A 97 16.464 12.849 -4.210 1.00 0.00 O ATOM 1434 CB GLU A 97 16.460 11.208 -1.374 1.00 0.00 C ATOM 1435 CG GLU A 97 15.751 10.755 -0.086 1.00 0.00 C ATOM 1436 CD GLU A 97 16.210 9.353 0.371 1.00 0.00 C ATOM 1437 OE1 GLU A 97 17.418 9.027 0.251 1.00 0.00 O ATOM 1438 OE2 GLU A 97 15.369 8.574 0.875 1.00 0.00 O ATOM 0 H GLU A 97 14.387 12.499 -2.910 1.00 0.00 H new ATOM 0 HA GLU A 97 16.476 13.347 -1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 97 16.174 10.533 -2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 97 17.535 11.099 -1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.947 11.476 0.707 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.673 10.747 -0.250 1.00 0.00 H new ATOM 1445 N ASP A 98 18.279 13.251 -2.954 1.00 0.00 N ATOM 1446 CA ASP A 98 19.217 13.481 -4.066 1.00 0.00 C ATOM 1447 C ASP A 98 20.483 12.613 -3.911 1.00 0.00 C ATOM 1448 O ASP A 98 21.348 12.893 -3.077 1.00 0.00 O ATOM 1449 CB ASP A 98 19.533 14.983 -4.159 1.00 0.00 C ATOM 1450 CG ASP A 98 20.603 15.315 -5.217 1.00 0.00 C ATOM 1451 OD1 ASP A 98 20.666 14.644 -6.273 1.00 0.00 O ATOM 1452 OD2 ASP A 98 21.376 16.278 -4.993 1.00 0.00 O ATOM 0 H ASP A 98 18.717 13.347 -2.038 1.00 0.00 H new ATOM 0 HA ASP A 98 18.757 13.176 -5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 98 18.618 15.526 -4.395 1.00 0.00 H new ATOM 0 HB3 ASP A 98 19.872 15.337 -3.185 1.00 0.00 H new ATOM 1457 N TRP A 99 20.579 11.537 -4.700 1.00 0.00 N ATOM 1458 CA TRP A 99 21.663 10.548 -4.673 1.00 0.00 C ATOM 1459 C TRP A 99 22.714 10.875 -5.742 1.00 0.00 C ATOM 1460 O TRP A 99 22.671 10.375 -6.869 1.00 0.00 O ATOM 1461 CB TRP A 99 21.095 9.126 -4.842 1.00 0.00 C ATOM 1462 CG TRP A 99 19.995 8.681 -3.923 1.00 0.00 C ATOM 1463 CD1 TRP A 99 19.619 9.255 -2.755 1.00 0.00 C ATOM 1464 CD2 TRP A 99 19.089 7.552 -4.114 1.00 0.00 C ATOM 1465 NE1 TRP A 99 18.525 8.583 -2.243 1.00 0.00 N ATOM 1466 CE2 TRP A 99 18.142 7.540 -3.050 1.00 0.00 C ATOM 1467 CE3 TRP A 99 18.975 6.533 -5.084 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 17.122 6.582 -2.957 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 17.949 5.571 -5.008 1.00 0.00 C ATOM 1470 CH2 TRP A 99 17.025 5.590 -3.946 1.00 0.00 C ATOM 0 H TRP A 99 19.874 11.322 -5.405 1.00 0.00 H new ATOM 0 HA TRP A 99 22.159 10.590 -3.704 1.00 0.00 H new ATOM 0 HB2 TRP A 99 20.730 9.034 -5.865 1.00 0.00 H new ATOM 0 HB3 TRP A 99 21.922 8.424 -4.734 1.00 0.00 H new ATOM 0 HD1 TRP A 99 20.100 10.106 -2.295 1.00 0.00 H new ATOM 0 HE1 TRP A 99 18.058 8.832 -1.371 1.00 0.00 H new ATOM 0 HE3 TRP A 99 19.685 6.490 -5.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 16.421 6.607 -2.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 17.870 4.811 -5.772 1.00 0.00 H new ATOM 0 HH2 TRP A 99 16.245 4.845 -3.892 1.00 0.00 H new ATOM 1481 N GLN A 100 23.671 11.737 -5.396 1.00 0.00 N ATOM 1482 CA GLN A 100 24.744 12.149 -6.309 1.00 0.00 C ATOM 1483 C GLN A 100 25.805 11.033 -6.429 1.00 0.00 C ATOM 1484 O GLN A 100 26.478 10.703 -5.451 1.00 0.00 O ATOM 1485 CB GLN A 100 25.356 13.481 -5.836 1.00 0.00 C ATOM 1486 CG GLN A 100 24.320 14.622 -5.764 1.00 0.00 C ATOM 1487 CD GLN A 100 24.918 15.997 -5.451 1.00 0.00 C ATOM 1488 OE1 GLN A 100 26.120 16.232 -5.479 1.00 0.00 O ATOM 1489 NE2 GLN A 100 24.085 16.970 -5.161 1.00 0.00 N ATOM 0 H GLN A 100 23.726 12.171 -4.475 1.00 0.00 H new ATOM 0 HA GLN A 100 24.331 12.311 -7.305 1.00 0.00 H new ATOM 0 HB2 GLN A 100 25.804 13.341 -4.852 1.00 0.00 H new ATOM 0 HB3 GLN A 100 26.159 13.768 -6.515 1.00 0.00 H new ATOM 0 HG2 GLN A 100 23.791 14.677 -6.715 1.00 0.00 H new ATOM 0 HG3 GLN A 100 23.581 14.378 -5.001 1.00 0.00 H new ATOM 0 HE21 GLN A 100 23.081 16.791 -5.134 1.00 0.00 H new ATOM 0 HE22 GLN A 100 24.442 17.905 -4.963 1.00 0.00 H new ATOM 1498 N LEU A 101 25.936 10.445 -7.625 1.00 0.00 N ATOM 1499 CA LEU A 101 26.835 9.323 -7.953 1.00 0.00 C ATOM 1500 C LEU A 101 27.555 9.550 -9.297 1.00 0.00 C ATOM 1501 O LEU A 101 27.238 10.474 -10.049 1.00 0.00 O ATOM 1502 CB LEU A 101 26.027 8.004 -7.981 1.00 0.00 C ATOM 1503 CG LEU A 101 25.462 7.495 -6.639 1.00 0.00 C ATOM 1504 CD1 LEU A 101 24.694 6.195 -6.884 1.00 0.00 C ATOM 1505 CD2 LEU A 101 26.552 7.199 -5.616 1.00 0.00 C ATOM 0 H LEU A 101 25.393 10.751 -8.432 1.00 0.00 H new ATOM 0 HA LEU A 101 27.603 9.259 -7.182 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.193 8.133 -8.671 1.00 0.00 H new ATOM 0 HB3 LEU A 101 26.667 7.225 -8.396 1.00 0.00 H new ATOM 0 HG LEU A 101 24.822 8.283 -6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 101 24.291 5.827 -5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 101 23.876 6.381 -7.580 1.00 0.00 H new ATOM 0 HD13 LEU A 101 25.367 5.449 -7.306 1.00 0.00 H new ATOM 0 HD21 LEU A 101 26.097 6.844 -4.691 1.00 0.00 H new ATOM 0 HD22 LEU A 101 27.221 6.433 -6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 101 27.119 8.108 -5.416 1.00 0.00 H new ATOM 1517 N GLU A 102 28.515 8.676 -9.603 1.00 0.00 N ATOM 1518 CA GLU A 102 29.285 8.617 -10.846 1.00 0.00 C ATOM 1519 C GLU A 102 28.393 8.407 -12.084 1.00 0.00 C ATOM 1520 O GLU A 102 27.213 8.058 -11.998 1.00 0.00 O ATOM 1521 CB GLU A 102 30.306 7.462 -10.744 1.00 0.00 C ATOM 1522 CG GLU A 102 31.440 7.633 -9.721 1.00 0.00 C ATOM 1523 CD GLU A 102 30.976 7.703 -8.248 1.00 0.00 C ATOM 1524 OE1 GLU A 102 30.057 6.947 -7.849 1.00 0.00 O ATOM 1525 OE2 GLU A 102 31.535 8.529 -7.485 1.00 0.00 O ATOM 0 H GLU A 102 28.793 7.945 -8.948 1.00 0.00 H new ATOM 0 HA GLU A 102 29.790 9.575 -10.973 1.00 0.00 H new ATOM 0 HB2 GLU A 102 29.763 6.548 -10.501 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.753 7.315 -11.727 1.00 0.00 H new ATOM 0 HG2 GLU A 102 32.137 6.802 -9.829 1.00 0.00 H new ATOM 0 HG3 GLU A 102 31.991 8.543 -9.958 1.00 0.00 H new ATOM 1532 N ASP A 103 28.977 8.593 -13.266 1.00 0.00 N ATOM 1533 CA ASP A 103 28.305 8.489 -14.572 1.00 0.00 C ATOM 1534 C ASP A 103 28.924 7.374 -15.445 1.00 0.00 C ATOM 1535 O ASP A 103 29.915 7.639 -16.128 1.00 0.00 O ATOM 1536 CB ASP A 103 28.326 9.875 -15.238 1.00 0.00 C ATOM 1537 CG ASP A 103 27.163 10.011 -16.224 1.00 0.00 C ATOM 1538 OD1 ASP A 103 26.063 10.385 -15.759 1.00 0.00 O ATOM 1539 OD2 ASP A 103 27.298 9.711 -17.432 1.00 0.00 O ATOM 0 H ASP A 103 29.966 8.829 -13.350 1.00 0.00 H new ATOM 0 HA ASP A 103 27.265 8.190 -14.439 1.00 0.00 H new ATOM 0 HB2 ASP A 103 28.259 10.652 -14.477 1.00 0.00 H new ATOM 0 HB3 ASP A 103 29.272 10.021 -15.759 1.00 0.00 H new ATOM 1544 N PRO A 104 28.402 6.124 -15.406 1.00 0.00 N ATOM 1545 CA PRO A 104 29.039 4.951 -16.029 1.00 0.00 C ATOM 1546 C PRO A 104 29.014 4.893 -17.563 1.00 0.00 C ATOM 1547 O PRO A 104 29.786 4.146 -18.157 1.00 0.00 O ATOM 1548 CB PRO A 104 28.309 3.738 -15.453 1.00 0.00 C ATOM 1549 CG PRO A 104 27.741 4.237 -14.137 1.00 0.00 C ATOM 1550 CD PRO A 104 27.348 5.660 -14.509 1.00 0.00 C ATOM 0 HA PRO A 104 30.104 4.991 -15.800 1.00 0.00 H new ATOM 0 HB2 PRO A 104 27.521 3.393 -16.122 1.00 0.00 H new ATOM 0 HB3 PRO A 104 28.988 2.899 -15.301 1.00 0.00 H new ATOM 0 HG2 PRO A 104 26.886 3.646 -13.807 1.00 0.00 H new ATOM 0 HG3 PRO A 104 28.477 4.209 -13.334 1.00 0.00 H new ATOM 0 HD2 PRO A 104 26.375 5.685 -14.999 1.00 0.00 H new ATOM 0 HD3 PRO A 104 27.276 6.293 -13.625 1.00 0.00 H new ATOM 1558 N ASP A 105 28.141 5.664 -18.211 1.00 0.00 N ATOM 1559 CA ASP A 105 27.938 5.707 -19.668 1.00 0.00 C ATOM 1560 C ASP A 105 29.256 6.031 -20.413 1.00 0.00 C ATOM 1561 O ASP A 105 29.703 7.182 -20.459 1.00 0.00 O ATOM 1562 CB ASP A 105 26.842 6.760 -19.916 1.00 0.00 C ATOM 1563 CG ASP A 105 26.409 6.989 -21.373 1.00 0.00 C ATOM 1564 OD1 ASP A 105 26.906 6.320 -22.308 1.00 0.00 O ATOM 1565 OD2 ASP A 105 25.497 7.828 -21.581 1.00 0.00 O ATOM 0 H ASP A 105 27.525 6.308 -17.715 1.00 0.00 H new ATOM 0 HA ASP A 105 27.627 4.738 -20.058 1.00 0.00 H new ATOM 0 HB2 ASP A 105 25.961 6.473 -19.342 1.00 0.00 H new ATOM 0 HB3 ASP A 105 27.189 7.711 -19.513 1.00 0.00 H new ATOM 1570 N GLY A 106 29.900 4.994 -20.972 1.00 0.00 N ATOM 1571 CA GLY A 106 31.190 5.095 -21.671 1.00 0.00 C ATOM 1572 C GLY A 106 32.438 4.990 -20.774 1.00 0.00 C ATOM 1573 O GLY A 106 33.535 5.323 -21.225 1.00 0.00 O ATOM 0 H GLY A 106 29.531 4.043 -20.950 1.00 0.00 H new ATOM 0 HA2 GLY A 106 31.238 4.309 -22.425 1.00 0.00 H new ATOM 0 HA3 GLY A 106 31.223 6.047 -22.201 1.00 0.00 H new ATOM 1577 N GLN A 107 32.290 4.538 -19.520 1.00 0.00 N ATOM 1578 CA GLN A 107 33.387 4.322 -18.563 1.00 0.00 C ATOM 1579 C GLN A 107 33.931 2.877 -18.660 1.00 0.00 C ATOM 1580 O GLN A 107 34.611 2.528 -19.626 1.00 0.00 O ATOM 1581 CB GLN A 107 32.951 4.692 -17.131 1.00 0.00 C ATOM 1582 CG GLN A 107 32.336 6.078 -16.944 1.00 0.00 C ATOM 1583 CD GLN A 107 33.268 7.278 -17.067 1.00 0.00 C ATOM 1584 OE1 GLN A 107 34.448 7.193 -17.386 1.00 0.00 O ATOM 1585 NE2 GLN A 107 32.746 8.455 -16.791 1.00 0.00 N ATOM 0 H GLN A 107 31.376 4.305 -19.131 1.00 0.00 H new ATOM 0 HA GLN A 107 34.210 4.987 -18.825 1.00 0.00 H new ATOM 0 HB2 GLN A 107 32.229 3.949 -16.791 1.00 0.00 H new ATOM 0 HB3 GLN A 107 33.820 4.613 -16.478 1.00 0.00 H new ATOM 0 HG2 GLN A 107 31.537 6.194 -17.677 1.00 0.00 H new ATOM 0 HG3 GLN A 107 31.872 6.111 -15.958 1.00 0.00 H new ATOM 0 HE21 GLN A 107 31.764 8.528 -16.525 1.00 0.00 H new ATOM 0 HE22 GLN A 107 33.324 9.294 -16.843 1.00 0.00 H new ATOM 1594 N SER A 108 33.623 2.031 -17.666 1.00 0.00 N ATOM 1595 CA SER A 108 33.914 0.591 -17.632 1.00 0.00 C ATOM 1596 C SER A 108 32.936 -0.122 -16.701 1.00 0.00 C ATOM 1597 O SER A 108 32.234 0.507 -15.907 1.00 0.00 O ATOM 1598 CB SER A 108 35.357 0.330 -17.170 1.00 0.00 C ATOM 1599 OG SER A 108 35.717 -1.017 -17.447 1.00 0.00 O ATOM 0 H SER A 108 33.141 2.348 -16.824 1.00 0.00 H new ATOM 0 HA SER A 108 33.800 0.200 -18.643 1.00 0.00 H new ATOM 0 HB2 SER A 108 36.040 1.010 -17.679 1.00 0.00 H new ATOM 0 HB3 SER A 108 35.448 0.528 -16.102 1.00 0.00 H new ATOM 0 HG SER A 108 36.638 -1.177 -17.152 1.00 0.00 H new ATOM 1605 N LEU A 109 32.903 -1.449 -16.756 1.00 0.00 N ATOM 1606 CA LEU A 109 31.953 -2.282 -16.017 1.00 0.00 C ATOM 1607 C LEU A 109 32.184 -2.217 -14.506 1.00 0.00 C ATOM 1608 O LEU A 109 31.229 -2.210 -13.744 1.00 0.00 O ATOM 1609 CB LEU A 109 32.037 -3.710 -16.579 1.00 0.00 C ATOM 1610 CG LEU A 109 31.196 -3.933 -17.853 1.00 0.00 C ATOM 1611 CD1 LEU A 109 31.508 -2.968 -18.998 1.00 0.00 C ATOM 1612 CD2 LEU A 109 31.412 -5.359 -18.357 1.00 0.00 C ATOM 0 H LEU A 109 33.550 -1.991 -17.328 1.00 0.00 H new ATOM 0 HA LEU A 109 30.940 -1.905 -16.156 1.00 0.00 H new ATOM 0 HB2 LEU A 109 33.079 -3.942 -16.799 1.00 0.00 H new ATOM 0 HB3 LEU A 109 31.709 -4.411 -15.812 1.00 0.00 H new ATOM 0 HG LEU A 109 30.162 -3.750 -17.560 1.00 0.00 H new ATOM 0 HD11 LEU A 109 30.871 -3.198 -19.852 1.00 0.00 H new ATOM 0 HD12 LEU A 109 31.322 -1.945 -18.672 1.00 0.00 H new ATOM 0 HD13 LEU A 109 32.554 -3.073 -19.287 1.00 0.00 H new ATOM 0 HD21 LEU A 109 30.819 -5.520 -19.257 1.00 0.00 H new ATOM 0 HD22 LEU A 109 32.467 -5.508 -18.586 1.00 0.00 H new ATOM 0 HD23 LEU A 109 31.104 -6.067 -17.588 1.00 0.00 H new ATOM 1624 N GLU A 110 33.425 -2.032 -14.058 1.00 0.00 N ATOM 1625 CA GLU A 110 33.737 -1.778 -12.641 1.00 0.00 C ATOM 1626 C GLU A 110 33.090 -0.477 -12.136 1.00 0.00 C ATOM 1627 O GLU A 110 32.596 -0.423 -11.012 1.00 0.00 O ATOM 1628 CB GLU A 110 35.264 -1.764 -12.471 1.00 0.00 C ATOM 1629 CG GLU A 110 35.696 -1.628 -11.005 1.00 0.00 C ATOM 1630 CD GLU A 110 37.225 -1.752 -10.866 1.00 0.00 C ATOM 1631 OE1 GLU A 110 37.941 -0.729 -11.004 1.00 0.00 O ATOM 1632 OE2 GLU A 110 37.731 -2.874 -10.610 1.00 0.00 O ATOM 0 H GLU A 110 34.246 -2.053 -14.662 1.00 0.00 H new ATOM 0 HA GLU A 110 33.315 -2.576 -12.030 1.00 0.00 H new ATOM 0 HB2 GLU A 110 35.680 -2.683 -12.884 1.00 0.00 H new ATOM 0 HB3 GLU A 110 35.682 -0.938 -13.047 1.00 0.00 H new ATOM 0 HG2 GLU A 110 35.369 -0.665 -10.614 1.00 0.00 H new ATOM 0 HG3 GLU A 110 35.209 -2.398 -10.406 1.00 0.00 H new ATOM 1639 N VAL A 111 32.997 0.546 -12.990 1.00 0.00 N ATOM 1640 CA VAL A 111 32.323 1.816 -12.668 1.00 0.00 C ATOM 1641 C VAL A 111 30.805 1.644 -12.673 1.00 0.00 C ATOM 1642 O VAL A 111 30.144 2.165 -11.774 1.00 0.00 O ATOM 1643 CB VAL A 111 32.793 2.937 -13.611 1.00 0.00 C ATOM 1644 CG1 VAL A 111 32.083 4.270 -13.375 1.00 0.00 C ATOM 1645 CG2 VAL A 111 34.297 3.184 -13.433 1.00 0.00 C ATOM 0 H VAL A 111 33.388 0.520 -13.932 1.00 0.00 H new ATOM 0 HA VAL A 111 32.602 2.114 -11.657 1.00 0.00 H new ATOM 0 HB VAL A 111 32.554 2.591 -14.616 1.00 0.00 H new ATOM 0 HG11 VAL A 111 32.464 5.014 -14.075 1.00 0.00 H new ATOM 0 HG12 VAL A 111 31.011 4.143 -13.528 1.00 0.00 H new ATOM 0 HG13 VAL A 111 32.267 4.604 -12.354 1.00 0.00 H new ATOM 0 HG21 VAL A 111 34.617 3.979 -14.106 1.00 0.00 H new ATOM 0 HG22 VAL A 111 34.498 3.477 -12.403 1.00 0.00 H new ATOM 0 HG23 VAL A 111 34.846 2.271 -13.664 1.00 0.00 H new ATOM 1655 N PHE A 112 30.242 0.839 -13.589 1.00 0.00 N ATOM 1656 CA PHE A 112 28.815 0.474 -13.515 1.00 0.00 C ATOM 1657 C PHE A 112 28.497 -0.274 -12.216 1.00 0.00 C ATOM 1658 O PHE A 112 27.587 0.121 -11.499 1.00 0.00 O ATOM 1659 CB PHE A 112 28.410 -0.389 -14.714 1.00 0.00 C ATOM 1660 CG PHE A 112 27.923 0.368 -15.928 1.00 0.00 C ATOM 1661 CD1 PHE A 112 26.570 0.744 -16.011 1.00 0.00 C ATOM 1662 CD2 PHE A 112 28.805 0.688 -16.974 1.00 0.00 C ATOM 1663 CE1 PHE A 112 26.104 1.458 -17.127 1.00 0.00 C ATOM 1664 CE2 PHE A 112 28.343 1.408 -18.087 1.00 0.00 C ATOM 1665 CZ PHE A 112 27.000 1.811 -18.150 1.00 0.00 C ATOM 0 H PHE A 112 30.743 0.433 -14.379 1.00 0.00 H new ATOM 0 HA PHE A 112 28.243 1.402 -13.532 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.266 -0.998 -15.007 1.00 0.00 H new ATOM 0 HB3 PHE A 112 27.625 -1.075 -14.396 1.00 0.00 H new ATOM 0 HD1 PHE A 112 25.888 0.483 -15.215 1.00 0.00 H new ATOM 0 HD2 PHE A 112 29.839 0.380 -16.922 1.00 0.00 H new ATOM 0 HE1 PHE A 112 25.062 1.734 -17.198 1.00 0.00 H new ATOM 0 HE2 PHE A 112 29.019 1.651 -18.893 1.00 0.00 H new ATOM 0 HZ PHE A 112 26.653 2.396 -18.989 1.00 0.00 H new ATOM 1675 N ARG A 113 29.283 -1.301 -11.867 1.00 0.00 N ATOM 1676 CA ARG A 113 29.138 -2.082 -10.617 1.00 0.00 C ATOM 1677 C ARG A 113 29.273 -1.192 -9.375 1.00 0.00 C ATOM 1678 O ARG A 113 28.485 -1.310 -8.442 1.00 0.00 O ATOM 1679 CB ARG A 113 30.189 -3.209 -10.600 1.00 0.00 C ATOM 1680 CG ARG A 113 29.925 -4.291 -11.668 1.00 0.00 C ATOM 1681 CD ARG A 113 31.104 -5.262 -11.756 1.00 0.00 C ATOM 1682 NE ARG A 113 30.961 -6.237 -12.855 1.00 0.00 N ATOM 1683 CZ ARG A 113 31.919 -6.705 -13.635 1.00 0.00 C ATOM 1684 NH1 ARG A 113 33.143 -6.254 -13.601 1.00 0.00 N ATOM 1685 NH2 ARG A 113 31.662 -7.651 -14.485 1.00 0.00 N ATOM 0 H ARG A 113 30.054 -1.624 -12.452 1.00 0.00 H new ATOM 0 HA ARG A 113 28.138 -2.515 -10.590 1.00 0.00 H new ATOM 0 HB2 ARG A 113 31.178 -2.780 -10.762 1.00 0.00 H new ATOM 0 HB3 ARG A 113 30.200 -3.674 -9.614 1.00 0.00 H new ATOM 0 HG2 ARG A 113 29.015 -4.838 -11.422 1.00 0.00 H new ATOM 0 HG3 ARG A 113 29.762 -3.820 -12.637 1.00 0.00 H new ATOM 0 HD2 ARG A 113 32.025 -4.696 -11.896 1.00 0.00 H new ATOM 0 HD3 ARG A 113 31.199 -5.797 -10.811 1.00 0.00 H new ATOM 0 HE ARG A 113 30.020 -6.588 -13.031 1.00 0.00 H new ATOM 0 HH11 ARG A 113 33.394 -5.508 -12.952 1.00 0.00 H new ATOM 0 HH12 ARG A 113 33.849 -6.647 -14.223 1.00 0.00 H new ATOM 0 HH21 ARG A 113 30.719 -8.034 -14.552 1.00 0.00 H new ATOM 0 HH22 ARG A 113 32.403 -8.011 -15.087 1.00 0.00 H new ATOM 1699 N THR A 114 30.195 -0.230 -9.406 1.00 0.00 N ATOM 1700 CA THR A 114 30.410 0.727 -8.301 1.00 0.00 C ATOM 1701 C THR A 114 29.211 1.652 -8.092 1.00 0.00 C ATOM 1702 O THR A 114 28.815 1.917 -6.956 1.00 0.00 O ATOM 1703 CB THR A 114 31.699 1.536 -8.536 1.00 0.00 C ATOM 1704 OG1 THR A 114 32.816 0.675 -8.513 1.00 0.00 O ATOM 1705 CG2 THR A 114 31.941 2.610 -7.479 1.00 0.00 C ATOM 0 H THR A 114 30.821 -0.085 -10.198 1.00 0.00 H new ATOM 0 HA THR A 114 30.521 0.148 -7.384 1.00 0.00 H new ATOM 0 HB THR A 114 31.572 2.021 -9.504 1.00 0.00 H new ATOM 0 HG1 THR A 114 32.848 0.159 -9.345 1.00 0.00 H new ATOM 0 HG21 THR A 114 32.865 3.142 -7.705 1.00 0.00 H new ATOM 0 HG22 THR A 114 31.109 3.314 -7.478 1.00 0.00 H new ATOM 0 HG23 THR A 114 32.022 2.143 -6.498 1.00 0.00 H new ATOM 1713 N VAL A 115 28.571 2.103 -9.171 1.00 0.00 N ATOM 1714 CA VAL A 115 27.281 2.818 -9.096 1.00 0.00 C ATOM 1715 C VAL A 115 26.159 1.894 -8.623 1.00 0.00 C ATOM 1716 O VAL A 115 25.425 2.260 -7.709 1.00 0.00 O ATOM 1717 CB VAL A 115 26.976 3.495 -10.446 1.00 0.00 C ATOM 1718 CG1 VAL A 115 25.533 3.976 -10.607 1.00 0.00 C ATOM 1719 CG2 VAL A 115 27.881 4.719 -10.585 1.00 0.00 C ATOM 0 H VAL A 115 28.924 1.988 -10.121 1.00 0.00 H new ATOM 0 HA VAL A 115 27.352 3.606 -8.346 1.00 0.00 H new ATOM 0 HB VAL A 115 27.148 2.736 -11.209 1.00 0.00 H new ATOM 0 HG11 VAL A 115 25.411 4.439 -11.586 1.00 0.00 H new ATOM 0 HG12 VAL A 115 24.855 3.127 -10.520 1.00 0.00 H new ATOM 0 HG13 VAL A 115 25.304 4.705 -9.830 1.00 0.00 H new ATOM 0 HG21 VAL A 115 27.681 5.213 -11.536 1.00 0.00 H new ATOM 0 HG22 VAL A 115 27.684 5.412 -9.767 1.00 0.00 H new ATOM 0 HG23 VAL A 115 28.924 4.406 -10.552 1.00 0.00 H new ATOM 1729 N ARG A 116 26.045 0.680 -9.181 1.00 0.00 N ATOM 1730 CA ARG A 116 24.959 -0.282 -8.878 1.00 0.00 C ATOM 1731 C ARG A 116 24.840 -0.577 -7.386 1.00 0.00 C ATOM 1732 O ARG A 116 23.738 -0.530 -6.861 1.00 0.00 O ATOM 1733 CB ARG A 116 25.093 -1.549 -9.768 1.00 0.00 C ATOM 1734 CG ARG A 116 25.456 -2.880 -9.073 1.00 0.00 C ATOM 1735 CD ARG A 116 25.424 -4.060 -10.050 1.00 0.00 C ATOM 1736 NE ARG A 116 26.168 -5.215 -9.495 1.00 0.00 N ATOM 1737 CZ ARG A 116 26.853 -6.100 -10.193 1.00 0.00 C ATOM 1738 NH1 ARG A 116 26.714 -6.189 -11.478 1.00 0.00 N ATOM 1739 NH2 ARG A 116 27.712 -6.892 -9.629 1.00 0.00 N ATOM 0 H ARG A 116 26.712 0.327 -9.867 1.00 0.00 H new ATOM 0 HA ARG A 116 24.006 0.180 -9.136 1.00 0.00 H new ATOM 0 HB2 ARG A 116 24.148 -1.692 -10.293 1.00 0.00 H new ATOM 0 HB3 ARG A 116 25.851 -1.348 -10.525 1.00 0.00 H new ATOM 0 HG2 ARG A 116 26.450 -2.800 -8.632 1.00 0.00 H new ATOM 0 HG3 ARG A 116 24.758 -3.065 -8.256 1.00 0.00 H new ATOM 0 HD2 ARG A 116 24.391 -4.347 -10.249 1.00 0.00 H new ATOM 0 HD3 ARG A 116 25.861 -3.762 -11.003 1.00 0.00 H new ATOM 0 HE ARG A 116 26.149 -5.337 -8.482 1.00 0.00 H new ATOM 0 HH11 ARG A 116 26.067 -5.569 -11.965 1.00 0.00 H new ATOM 0 HH12 ARG A 116 27.252 -6.879 -12.003 1.00 0.00 H new ATOM 0 HH21 ARG A 116 27.871 -6.839 -8.623 1.00 0.00 H new ATOM 0 HH22 ARG A 116 28.229 -7.568 -10.192 1.00 0.00 H new ATOM 1753 N GLY A 117 25.961 -0.801 -6.700 1.00 0.00 N ATOM 1754 CA GLY A 117 25.969 -1.104 -5.260 1.00 0.00 C ATOM 1755 C GLY A 117 25.377 0.028 -4.412 1.00 0.00 C ATOM 1756 O GLY A 117 24.612 -0.226 -3.483 1.00 0.00 O ATOM 0 H GLY A 117 26.890 -0.779 -7.121 1.00 0.00 H new ATOM 0 HA2 GLY A 117 25.403 -2.019 -5.083 1.00 0.00 H new ATOM 0 HA3 GLY A 117 26.993 -1.295 -4.939 1.00 0.00 H new ATOM 1760 N GLN A 118 25.642 1.282 -4.793 1.00 0.00 N ATOM 1761 CA GLN A 118 25.142 2.463 -4.079 1.00 0.00 C ATOM 1762 C GLN A 118 23.676 2.754 -4.431 1.00 0.00 C ATOM 1763 O GLN A 118 22.853 2.915 -3.534 1.00 0.00 O ATOM 1764 CB GLN A 118 26.065 3.665 -4.345 1.00 0.00 C ATOM 1765 CG GLN A 118 27.490 3.437 -3.806 1.00 0.00 C ATOM 1766 CD GLN A 118 28.458 4.524 -4.268 1.00 0.00 C ATOM 1767 OE1 GLN A 118 28.689 5.519 -3.593 1.00 0.00 O ATOM 1768 NE2 GLN A 118 29.050 4.380 -5.437 1.00 0.00 N ATOM 0 H GLN A 118 26.212 1.508 -5.608 1.00 0.00 H new ATOM 0 HA GLN A 118 25.159 2.263 -3.008 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.110 3.855 -5.417 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.641 4.556 -3.881 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.466 3.413 -2.717 1.00 0.00 H new ATOM 0 HG3 GLN A 118 27.852 2.464 -4.139 1.00 0.00 H new ATOM 0 HE21 GLN A 118 28.863 3.554 -6.005 1.00 0.00 H new ATOM 0 HE22 GLN A 118 29.695 5.095 -5.773 1.00 0.00 H new ATOM 1777 N VAL A 119 23.297 2.725 -5.719 1.00 0.00 N ATOM 1778 CA VAL A 119 21.879 2.825 -6.145 1.00 0.00 C ATOM 1779 C VAL A 119 21.020 1.733 -5.479 1.00 0.00 C ATOM 1780 O VAL A 119 19.942 2.026 -4.961 1.00 0.00 O ATOM 1781 CB VAL A 119 21.738 2.780 -7.684 1.00 0.00 C ATOM 1782 CG1 VAL A 119 20.282 2.953 -8.116 1.00 0.00 C ATOM 1783 CG2 VAL A 119 22.509 3.912 -8.370 1.00 0.00 C ATOM 0 H VAL A 119 23.954 2.633 -6.494 1.00 0.00 H new ATOM 0 HA VAL A 119 21.509 3.795 -5.812 1.00 0.00 H new ATOM 0 HB VAL A 119 22.133 1.807 -7.976 1.00 0.00 H new ATOM 0 HG11 VAL A 119 20.218 2.917 -9.204 1.00 0.00 H new ATOM 0 HG12 VAL A 119 19.678 2.152 -7.690 1.00 0.00 H new ATOM 0 HG13 VAL A 119 19.909 3.915 -7.763 1.00 0.00 H new ATOM 0 HG21 VAL A 119 22.380 3.838 -9.450 1.00 0.00 H new ATOM 0 HG22 VAL A 119 22.129 4.873 -8.024 1.00 0.00 H new ATOM 0 HG23 VAL A 119 23.568 3.831 -8.125 1.00 0.00 H new ATOM 1793 N LYS A 120 21.518 0.489 -5.423 1.00 0.00 N ATOM 1794 CA LYS A 120 20.885 -0.632 -4.711 1.00 0.00 C ATOM 1795 C LYS A 120 20.700 -0.325 -3.229 1.00 0.00 C ATOM 1796 O LYS A 120 19.578 -0.421 -2.741 1.00 0.00 O ATOM 1797 CB LYS A 120 21.718 -1.909 -4.914 1.00 0.00 C ATOM 1798 CG LYS A 120 21.070 -3.107 -4.210 1.00 0.00 C ATOM 1799 CD LYS A 120 21.837 -4.408 -4.468 1.00 0.00 C ATOM 1800 CE LYS A 120 21.106 -5.571 -3.781 1.00 0.00 C ATOM 1801 NZ LYS A 120 21.593 -5.813 -2.390 1.00 0.00 N ATOM 0 H LYS A 120 22.391 0.228 -5.881 1.00 0.00 H new ATOM 0 HA LYS A 120 19.890 -0.788 -5.128 1.00 0.00 H new ATOM 0 HB2 LYS A 120 21.815 -2.118 -5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 120 22.725 -1.756 -4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 120 21.028 -2.918 -3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 120 20.042 -3.218 -4.555 1.00 0.00 H new ATOM 0 HD2 LYS A 120 21.913 -4.593 -5.540 1.00 0.00 H new ATOM 0 HD3 LYS A 120 22.855 -4.326 -4.086 1.00 0.00 H new ATOM 0 HE2 LYS A 120 20.037 -5.360 -3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 120 21.238 -6.478 -4.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 21.104 -6.639 -1.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 22.617 -5.992 -2.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 21.397 -4.977 -1.803 1.00 0.00 H new ATOM 1815 N GLU A 121 21.761 0.051 -2.511 1.00 0.00 N ATOM 1816 CA GLU A 121 21.670 0.254 -1.058 1.00 0.00 C ATOM 1817 C GLU A 121 20.749 1.412 -0.694 1.00 0.00 C ATOM 1818 O GLU A 121 19.972 1.277 0.247 1.00 0.00 O ATOM 1819 CB GLU A 121 23.060 0.325 -0.393 1.00 0.00 C ATOM 1820 CG GLU A 121 23.698 1.718 -0.313 1.00 0.00 C ATOM 1821 CD GLU A 121 25.095 1.646 0.339 1.00 0.00 C ATOM 1822 OE1 GLU A 121 25.176 1.533 1.588 1.00 0.00 O ATOM 1823 OE2 GLU A 121 26.120 1.714 -0.383 1.00 0.00 O ATOM 0 H GLU A 121 22.686 0.221 -2.905 1.00 0.00 H new ATOM 0 HA GLU A 121 21.195 -0.631 -0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 121 22.978 -0.074 0.618 1.00 0.00 H new ATOM 0 HB3 GLU A 121 23.736 -0.332 -0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 121 23.780 2.143 -1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 121 23.056 2.384 0.264 1.00 0.00 H new ATOM 1830 N ARG A 122 20.726 2.500 -1.476 1.00 0.00 N ATOM 1831 CA ARG A 122 19.759 3.582 -1.245 1.00 0.00 C ATOM 1832 C ARG A 122 18.324 3.095 -1.456 1.00 0.00 C ATOM 1833 O ARG A 122 17.492 3.352 -0.589 1.00 0.00 O ATOM 1834 CB ARG A 122 20.076 4.809 -2.112 1.00 0.00 C ATOM 1835 CG ARG A 122 21.424 5.503 -1.851 1.00 0.00 C ATOM 1836 CD ARG A 122 21.671 5.940 -0.403 1.00 0.00 C ATOM 1837 NE ARG A 122 20.622 6.849 0.120 1.00 0.00 N ATOM 1838 CZ ARG A 122 20.496 7.254 1.375 1.00 0.00 C ATOM 1839 NH1 ARG A 122 21.342 6.902 2.302 1.00 0.00 N ATOM 1840 NH2 ARG A 122 19.507 8.017 1.740 1.00 0.00 N ATOM 0 H ARG A 122 21.356 2.654 -2.263 1.00 0.00 H new ATOM 0 HA ARG A 122 19.848 3.892 -0.204 1.00 0.00 H new ATOM 0 HB2 ARG A 122 20.046 4.505 -3.158 1.00 0.00 H new ATOM 0 HB3 ARG A 122 19.282 5.542 -1.970 1.00 0.00 H new ATOM 0 HG2 ARG A 122 22.225 4.827 -2.150 1.00 0.00 H new ATOM 0 HG3 ARG A 122 21.492 6.381 -2.494 1.00 0.00 H new ATOM 0 HD2 ARG A 122 21.726 5.056 0.232 1.00 0.00 H new ATOM 0 HD3 ARG A 122 22.638 6.438 -0.341 1.00 0.00 H new ATOM 0 HE ARG A 122 19.934 7.194 -0.549 1.00 0.00 H new ATOM 0 HH11 ARG A 122 22.130 6.297 2.070 1.00 0.00 H new ATOM 0 HH12 ARG A 122 21.216 7.232 3.259 1.00 0.00 H new ATOM 0 HH21 ARG A 122 18.812 8.313 1.055 1.00 0.00 H new ATOM 0 HH22 ARG A 122 19.427 8.319 2.711 1.00 0.00 H new ATOM 1854 N VAL A 123 18.043 2.309 -2.497 1.00 0.00 N ATOM 1855 CA VAL A 123 16.730 1.664 -2.667 1.00 0.00 C ATOM 1856 C VAL A 123 16.375 0.719 -1.520 1.00 0.00 C ATOM 1857 O VAL A 123 15.300 0.886 -0.951 1.00 0.00 O ATOM 1858 CB VAL A 123 16.620 0.981 -4.047 1.00 0.00 C ATOM 1859 CG1 VAL A 123 15.480 -0.034 -4.119 1.00 0.00 C ATOM 1860 CG2 VAL A 123 16.410 2.033 -5.134 1.00 0.00 C ATOM 0 H VAL A 123 18.708 2.100 -3.241 1.00 0.00 H new ATOM 0 HA VAL A 123 15.982 2.456 -2.632 1.00 0.00 H new ATOM 0 HB VAL A 123 17.555 0.443 -4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 123 15.453 -0.481 -5.113 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.640 -0.814 -3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 123 14.533 0.468 -3.921 1.00 0.00 H new ATOM 0 HG21 VAL A 123 16.333 1.543 -6.105 1.00 0.00 H new ATOM 0 HG22 VAL A 123 15.492 2.586 -4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 123 17.254 2.722 -5.141 1.00 0.00 H new ATOM 1870 N GLU A 124 17.232 -0.227 -1.124 1.00 0.00 N ATOM 1871 CA GLU A 124 16.921 -1.146 -0.011 1.00 0.00 C ATOM 1872 C GLU A 124 16.657 -0.412 1.300 1.00 0.00 C ATOM 1873 O GLU A 124 15.756 -0.795 2.051 1.00 0.00 O ATOM 1874 CB GLU A 124 18.032 -2.180 0.190 1.00 0.00 C ATOM 1875 CG GLU A 124 18.173 -3.121 -0.994 1.00 0.00 C ATOM 1876 CD GLU A 124 19.225 -4.199 -0.686 1.00 0.00 C ATOM 1877 OE1 GLU A 124 20.441 -3.899 -0.752 1.00 0.00 O ATOM 1878 OE2 GLU A 124 18.856 -5.362 -0.402 1.00 0.00 O ATOM 0 H GLU A 124 18.145 -0.381 -1.552 1.00 0.00 H new ATOM 0 HA GLU A 124 16.003 -1.661 -0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 124 18.978 -1.664 0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 124 17.825 -2.761 1.089 1.00 0.00 H new ATOM 0 HG2 GLU A 124 17.214 -3.590 -1.213 1.00 0.00 H new ATOM 0 HG3 GLU A 124 18.464 -2.560 -1.882 1.00 0.00 H new ATOM 1885 N ASN A 125 17.373 0.688 1.539 1.00 0.00 N ATOM 1886 CA ASN A 125 17.158 1.489 2.741 1.00 0.00 C ATOM 1887 C ASN A 125 15.850 2.302 2.693 1.00 0.00 C ATOM 1888 O ASN A 125 15.265 2.587 3.735 1.00 0.00 O ATOM 1889 CB ASN A 125 18.420 2.319 3.046 1.00 0.00 C ATOM 1890 CG ASN A 125 18.209 3.823 3.089 1.00 0.00 C ATOM 1891 OD1 ASN A 125 18.134 4.447 4.138 1.00 0.00 O ATOM 1892 ND2 ASN A 125 18.087 4.445 1.939 1.00 0.00 N ATOM 0 H ASN A 125 18.102 1.041 0.919 1.00 0.00 H new ATOM 0 HA ASN A 125 17.007 0.820 3.588 1.00 0.00 H new ATOM 0 HB2 ASN A 125 18.824 1.997 4.006 1.00 0.00 H new ATOM 0 HB3 ASN A 125 19.174 2.095 2.291 1.00 0.00 H new ATOM 0 HD21 ASN A 125 17.929 5.452 1.918 1.00 0.00 H new ATOM 0 HD22 ASN A 125 18.150 3.921 1.066 1.00 0.00 H new ATOM 1899 N LEU A 126 15.382 2.651 1.491 1.00 0.00 N ATOM 1900 CA LEU A 126 14.142 3.389 1.275 1.00 0.00 C ATOM 1901 C LEU A 126 12.917 2.478 1.335 1.00 0.00 C ATOM 1902 O LEU A 126 11.972 2.785 2.056 1.00 0.00 O ATOM 1903 CB LEU A 126 14.267 4.138 -0.065 1.00 0.00 C ATOM 1904 CG LEU A 126 12.983 4.834 -0.549 1.00 0.00 C ATOM 1905 CD1 LEU A 126 12.457 5.867 0.443 1.00 0.00 C ATOM 1906 CD2 LEU A 126 13.281 5.523 -1.875 1.00 0.00 C ATOM 0 H LEU A 126 15.868 2.421 0.624 1.00 0.00 H new ATOM 0 HA LEU A 126 13.990 4.112 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 126 15.054 4.886 0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 126 14.588 3.431 -0.830 1.00 0.00 H new ATOM 0 HG LEU A 126 12.211 4.072 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 126 11.550 6.324 0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 126 12.232 5.379 1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 126 13.212 6.637 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 126 12.382 6.023 -2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.073 6.258 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 126 13.602 4.781 -2.607 1.00 0.00 H new ATOM 1918 N ILE A 127 12.915 1.343 0.627 1.00 0.00 N ATOM 1919 CA ILE A 127 11.720 0.478 0.576 1.00 0.00 C ATOM 1920 C ILE A 127 11.360 -0.109 1.940 1.00 0.00 C ATOM 1921 O ILE A 127 10.182 -0.297 2.223 1.00 0.00 O ATOM 1922 CB ILE A 127 11.840 -0.627 -0.492 1.00 0.00 C ATOM 1923 CG1 ILE A 127 13.039 -1.572 -0.255 1.00 0.00 C ATOM 1924 CG2 ILE A 127 11.862 0.043 -1.881 1.00 0.00 C ATOM 1925 CD1 ILE A 127 13.309 -2.551 -1.396 1.00 0.00 C ATOM 0 H ILE A 127 13.711 1.002 0.088 1.00 0.00 H new ATOM 0 HA ILE A 127 10.897 1.128 0.280 1.00 0.00 H new ATOM 0 HB ILE A 127 10.973 -1.284 -0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 127 13.933 -0.970 -0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.864 -2.139 0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.947 -0.722 -2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 127 10.940 0.606 -2.028 1.00 0.00 H new ATOM 0 HG23 ILE A 127 12.715 0.719 -1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 127 14.167 -3.175 -1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 127 12.434 -3.182 -1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.519 -1.996 -2.310 1.00 0.00 H new ATOM 1937 N ALA A 128 12.351 -0.304 2.817 1.00 0.00 N ATOM 1938 CA ALA A 128 12.101 -0.748 4.184 1.00 0.00 C ATOM 1939 C ALA A 128 11.418 0.329 5.066 1.00 0.00 C ATOM 1940 O ALA A 128 10.816 -0.011 6.088 1.00 0.00 O ATOM 1941 CB ALA A 128 13.437 -1.213 4.779 1.00 0.00 C ATOM 0 H ALA A 128 13.337 -0.159 2.598 1.00 0.00 H new ATOM 0 HA ALA A 128 11.388 -1.573 4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.281 -1.552 5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 128 13.835 -2.034 4.182 1.00 0.00 H new ATOM 0 HB3 ALA A 128 14.145 -0.384 4.775 1.00 0.00 H new ATOM 1947 N LYS A 129 11.487 1.614 4.671 1.00 0.00 N ATOM 1948 CA LYS A 129 10.800 2.740 5.332 1.00 0.00 C ATOM 1949 C LYS A 129 9.382 2.967 4.794 1.00 0.00 C ATOM 1950 O LYS A 129 8.467 3.190 5.585 1.00 0.00 O ATOM 1951 CB LYS A 129 11.616 4.038 5.179 1.00 0.00 C ATOM 1952 CG LYS A 129 12.985 3.989 5.872 1.00 0.00 C ATOM 1953 CD LYS A 129 13.774 5.277 5.575 1.00 0.00 C ATOM 1954 CE LYS A 129 15.224 5.244 6.079 1.00 0.00 C ATOM 1955 NZ LYS A 129 15.321 5.244 7.568 1.00 0.00 N ATOM 0 H LYS A 129 12.036 1.906 3.862 1.00 0.00 H new ATOM 0 HA LYS A 129 10.717 2.473 6.386 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.762 4.242 4.118 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.041 4.869 5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 129 12.853 3.874 6.948 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.546 3.121 5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 129 13.777 5.451 4.499 1.00 0.00 H new ATOM 0 HD3 LYS A 129 13.259 6.122 6.033 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.719 4.355 5.688 1.00 0.00 H new ATOM 0 HE3 LYS A 129 15.760 6.107 5.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 16.322 5.221 7.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 14.874 6.104 7.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 14.835 4.407 7.948 1.00 0.00 H new ATOM 1969 N ILE A 130 9.204 2.927 3.463 1.00 0.00 N ATOM 1970 CA ILE A 130 7.947 3.345 2.803 1.00 0.00 C ATOM 1971 C ILE A 130 6.982 2.225 2.374 1.00 0.00 C ATOM 1972 O ILE A 130 5.896 2.541 1.891 1.00 0.00 O ATOM 1973 CB ILE A 130 8.189 4.417 1.707 1.00 0.00 C ATOM 1974 CG1 ILE A 130 9.087 4.026 0.512 1.00 0.00 C ATOM 1975 CG2 ILE A 130 8.781 5.679 2.356 1.00 0.00 C ATOM 1976 CD1 ILE A 130 8.588 2.847 -0.320 1.00 0.00 C ATOM 0 H ILE A 130 9.922 2.606 2.813 1.00 0.00 H new ATOM 0 HA ILE A 130 7.383 3.821 3.606 1.00 0.00 H new ATOM 0 HB ILE A 130 7.200 4.567 1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.192 4.892 -0.141 1.00 0.00 H new ATOM 0 HG13 ILE A 130 10.082 3.789 0.889 1.00 0.00 H new ATOM 0 HG21 ILE A 130 8.953 6.435 1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 130 8.084 6.067 3.099 1.00 0.00 H new ATOM 0 HG23 ILE A 130 9.726 5.431 2.839 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.288 2.653 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.512 1.962 0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 130 7.608 3.083 -0.734 1.00 0.00 H new ATOM 1988 N SER A 131 7.323 0.939 2.544 1.00 0.00 N ATOM 1989 CA SER A 131 6.422 -0.186 2.212 1.00 0.00 C ATOM 1990 C SER A 131 5.077 -0.152 2.958 1.00 0.00 C ATOM 1991 O SER A 131 4.028 -0.204 2.275 1.00 0.00 O ATOM 1992 CB SER A 131 7.123 -1.530 2.409 1.00 0.00 C ATOM 1993 OG SER A 131 7.602 -1.668 3.737 1.00 0.00 O ATOM 1994 OXT SER A 131 5.072 -0.099 4.213 1.00 0.00 O ATOM 0 H SER A 131 8.227 0.645 2.914 1.00 0.00 H new ATOM 0 HA SER A 131 6.178 -0.064 1.157 1.00 0.00 H new ATOM 0 HB2 SER A 131 6.431 -2.341 2.183 1.00 0.00 H new ATOM 0 HB3 SER A 131 7.954 -1.616 1.709 1.00 0.00 H new ATOM 0 HG SER A 131 7.037 -1.146 4.344 1.00 0.00 H new