USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 835 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 100 GLN : amide:sc= -0.369 K(o=-0.23,f=-5.2!) USER MOD Set 1.2: A 104 LYS NZ :NH3+ -131:sc= 0.136 (180deg=-0.0747) USER MOD Set 2.1: A 78 MET CE :methyl 165:sc= -0.0857 (180deg=-0.558) USER MOD Set 2.2: A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 88 THR OG1 : rot 47:sc= 1.25 USER MOD Set 3.1: A 7 ASN : amide:sc= -0.867 K(o=-0.48,f=-1.3) USER MOD Set 3.2: A 62 SER OG : rot 84:sc= 0.382 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= 3.56 (180deg=3.43) USER MOD Single : A 10 THR OG1 : rot -160:sc= 0.806 USER MOD Single : A 12 LYS NZ :NH3+ -178:sc= 0.592 (180deg=0.585) USER MOD Single : A 13 ASN : amide:sc= 0.146 X(o=0.15,f=-0.011) USER MOD Single : A 18 SER OG : rot -116:sc= 0.911 USER MOD Single : A 19 SER OG : rot 180:sc= 0.403 USER MOD Single : A 48 TYR OH : rot -120:sc= 1.17 USER MOD Single : A 49 LYS NZ :NH3+ 170:sc= 0.578 (180deg=0.321) USER MOD Single : A 51 LYS NZ :NH3+ 160:sc= 0.526 (180deg=-0.0817) USER MOD Single : A 53 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.027) USER MOD Single : A 54 CYS SG : rot -158:sc= -0.102 USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= 0.141 (180deg=0.103) USER MOD Single : A 58 ASN : amide:sc= -0.389 K(o=-0.39,f=-10!) USER MOD Single : A 59 THR OG1 : rot 84:sc= 0.997 USER MOD Single : A 64 ASN : amide:sc= 1.11 K(o=1.1,f=-0.91) USER MOD Single : A 67 SER OG : rot -76:sc= 1.14 USER MOD Single : A 69 TYR OH : rot -98:sc= 0.169 USER MOD Single : A 73 SER OG : rot 180:sc= 0.105 USER MOD Single : A 76 THR OG1 : rot 119:sc= 1.14 USER MOD Single : A 81 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0101) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -160:sc= 0.0174 USER MOD Single : A 101 THR OG1 : rot 85:sc= 1.24 USER MOD Single : A 105 TYR OH : rot -152:sc= 1.24 USER MOD Single : A 107 ASN : amide:sc= 0.851 K(o=0.85,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.703 2.966 -7.162 1.00 0.00 N ATOM 2 CA MET A 1 -8.023 3.231 -8.439 1.00 0.00 C ATOM 3 C MET A 1 -6.990 2.130 -8.674 1.00 0.00 C ATOM 4 O MET A 1 -6.379 1.670 -7.708 1.00 0.00 O ATOM 5 CB MET A 1 -7.408 4.642 -8.413 1.00 0.00 C ATOM 6 CG MET A 1 -6.613 5.010 -9.669 1.00 0.00 C ATOM 7 SD MET A 1 -7.591 5.016 -11.186 1.00 0.00 S ATOM 8 CE MET A 1 -6.344 5.592 -12.358 1.00 0.00 C ATOM 0 H1 MET A 1 -9.399 3.716 -6.977 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.188 2.048 -7.211 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.003 2.947 -6.393 1.00 0.00 H new ATOM 0 HA MET A 1 -8.723 3.213 -9.274 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.207 5.371 -8.277 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.752 4.723 -7.546 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.172 5.997 -9.530 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.789 4.306 -9.784 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.782 5.654 -13.354 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.988 6.577 -12.056 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.508 4.893 -12.372 1.00 0.00 H new ATOM 20 N GLU A 2 -6.839 1.688 -9.927 1.00 0.00 N ATOM 21 CA GLU A 2 -5.942 0.604 -10.305 1.00 0.00 C ATOM 22 C GLU A 2 -4.512 0.825 -9.794 1.00 0.00 C ATOM 23 O GLU A 2 -4.082 1.947 -9.527 1.00 0.00 O ATOM 24 CB GLU A 2 -5.968 0.376 -11.829 1.00 0.00 C ATOM 25 CG GLU A 2 -5.850 1.652 -12.680 1.00 0.00 C ATOM 26 CD GLU A 2 -7.202 2.252 -13.075 1.00 0.00 C ATOM 27 OE1 GLU A 2 -8.174 2.033 -12.318 1.00 0.00 O ATOM 28 OE2 GLU A 2 -7.234 2.929 -14.125 1.00 0.00 O ATOM 0 H GLU A 2 -7.348 2.084 -10.717 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.308 -0.301 -9.820 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.152 -0.296 -12.094 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.897 -0.132 -12.089 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.279 2.397 -12.126 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.285 1.425 -13.584 1.00 0.00 H new ATOM 35 N ALA A 3 -3.798 -0.293 -9.663 1.00 0.00 N ATOM 36 CA ALA A 3 -2.470 -0.381 -9.089 1.00 0.00 C ATOM 37 C ALA A 3 -1.389 0.360 -9.874 1.00 0.00 C ATOM 38 O ALA A 3 -1.234 0.134 -11.072 1.00 0.00 O ATOM 39 CB ALA A 3 -2.091 -1.858 -9.002 1.00 0.00 C ATOM 0 H ALA A 3 -4.152 -1.199 -9.970 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.515 0.101 -8.113 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.094 -1.953 -8.573 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.809 -2.381 -8.371 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.099 -2.295 -10.000 1.00 0.00 H new ATOM 45 N GLY A 4 -0.621 1.210 -9.185 1.00 0.00 N ATOM 46 CA GLY A 4 0.580 1.836 -9.713 1.00 0.00 C ATOM 47 C GLY A 4 1.793 1.128 -9.098 1.00 0.00 C ATOM 48 O GLY A 4 1.653 0.122 -8.402 1.00 0.00 O ATOM 0 H GLY A 4 -0.828 1.483 -8.224 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.604 1.758 -10.800 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.595 2.898 -9.469 1.00 0.00 H new ATOM 52 N ALA A 5 2.993 1.663 -9.329 1.00 0.00 N ATOM 53 CA ALA A 5 4.241 1.161 -8.771 1.00 0.00 C ATOM 54 C ALA A 5 5.016 2.381 -8.289 1.00 0.00 C ATOM 55 O ALA A 5 4.948 3.423 -8.941 1.00 0.00 O ATOM 56 CB ALA A 5 5.021 0.387 -9.836 1.00 0.00 C ATOM 0 H ALA A 5 3.123 2.480 -9.926 1.00 0.00 H new ATOM 0 HA ALA A 5 4.067 0.470 -7.947 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.952 0.016 -9.407 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.422 -0.454 -10.186 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.245 1.047 -10.674 1.00 0.00 H new ATOM 62 N VAL A 6 5.703 2.277 -7.150 1.00 0.00 N ATOM 63 CA VAL A 6 6.445 3.384 -6.569 1.00 0.00 C ATOM 64 C VAL A 6 7.775 2.907 -5.999 1.00 0.00 C ATOM 65 O VAL A 6 8.091 1.719 -5.949 1.00 0.00 O ATOM 66 CB VAL A 6 5.615 4.096 -5.474 1.00 0.00 C ATOM 67 CG1 VAL A 6 4.614 5.072 -6.088 1.00 0.00 C ATOM 68 CG2 VAL A 6 4.901 3.127 -4.524 1.00 0.00 C ATOM 0 H VAL A 6 5.757 1.416 -6.606 1.00 0.00 H new ATOM 0 HA VAL A 6 6.648 4.101 -7.365 1.00 0.00 H new ATOM 0 HB VAL A 6 6.333 4.652 -4.872 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.045 5.557 -5.295 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.149 5.827 -6.665 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.932 4.530 -6.743 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.338 3.693 -3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.218 2.496 -5.093 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.638 2.502 -4.020 1.00 0.00 H new ATOM 78 N ASN A 7 8.552 3.896 -5.578 1.00 0.00 N ATOM 79 CA ASN A 7 9.827 3.809 -4.907 1.00 0.00 C ATOM 80 C ASN A 7 9.907 5.075 -4.069 1.00 0.00 C ATOM 81 O ASN A 7 9.072 5.959 -4.232 1.00 0.00 O ATOM 82 CB ASN A 7 10.960 3.781 -5.944 1.00 0.00 C ATOM 83 CG ASN A 7 12.308 4.340 -5.487 1.00 0.00 C ATOM 84 OD1 ASN A 7 12.678 5.445 -5.865 1.00 0.00 O ATOM 85 ND2 ASN A 7 13.024 3.622 -4.631 1.00 0.00 N ATOM 0 H ASN A 7 8.272 4.867 -5.714 1.00 0.00 H new ATOM 0 HA ASN A 7 9.923 2.908 -4.301 1.00 0.00 H new ATOM 0 HB2 ASN A 7 11.107 2.749 -6.263 1.00 0.00 H new ATOM 0 HB3 ASN A 7 10.636 4.342 -6.821 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.906 3.987 -4.271 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.693 2.705 -4.333 1.00 0.00 H new ATOM 92 N ASP A 8 10.905 5.171 -3.202 1.00 0.00 N ATOM 93 CA ASP A 8 11.145 6.338 -2.351 1.00 0.00 C ATOM 94 C ASP A 8 10.885 7.662 -3.072 1.00 0.00 C ATOM 95 O ASP A 8 10.126 8.509 -2.607 1.00 0.00 O ATOM 96 CB ASP A 8 12.604 6.327 -1.886 1.00 0.00 C ATOM 97 CG ASP A 8 12.917 7.500 -0.959 1.00 0.00 C ATOM 98 OD1 ASP A 8 12.044 7.837 -0.132 1.00 0.00 O ATOM 99 OD2 ASP A 8 14.050 8.016 -1.061 1.00 0.00 O ATOM 0 H ASP A 8 11.588 4.426 -3.064 1.00 0.00 H new ATOM 0 HA ASP A 8 10.452 6.269 -1.512 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.813 5.390 -1.369 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.262 6.365 -2.754 1.00 0.00 H new ATOM 104 N ASP A 9 11.529 7.827 -4.221 1.00 0.00 N ATOM 105 CA ASP A 9 11.446 9.039 -5.017 1.00 0.00 C ATOM 106 C ASP A 9 10.012 9.340 -5.472 1.00 0.00 C ATOM 107 O ASP A 9 9.515 10.445 -5.268 1.00 0.00 O ATOM 108 CB ASP A 9 12.382 8.894 -6.222 1.00 0.00 C ATOM 109 CG ASP A 9 13.852 8.906 -5.809 1.00 0.00 C ATOM 110 OD1 ASP A 9 14.259 7.953 -5.109 1.00 0.00 O ATOM 111 OD2 ASP A 9 14.542 9.872 -6.201 1.00 0.00 O ATOM 0 H ASP A 9 12.131 7.112 -4.629 1.00 0.00 H new ATOM 0 HA ASP A 9 11.754 9.884 -4.401 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.160 7.963 -6.744 1.00 0.00 H new ATOM 0 HB3 ASP A 9 12.196 9.706 -6.925 1.00 0.00 H new ATOM 116 N THR A 10 9.341 8.373 -6.102 1.00 0.00 N ATOM 117 CA THR A 10 8.011 8.555 -6.676 1.00 0.00 C ATOM 118 C THR A 10 6.919 8.630 -5.601 1.00 0.00 C ATOM 119 O THR A 10 5.957 9.387 -5.748 1.00 0.00 O ATOM 120 CB THR A 10 7.773 7.405 -7.661 1.00 0.00 C ATOM 121 OG1 THR A 10 8.134 6.179 -7.060 1.00 0.00 O ATOM 122 CG2 THR A 10 8.647 7.568 -8.909 1.00 0.00 C ATOM 0 H THR A 10 9.713 7.431 -6.228 1.00 0.00 H new ATOM 0 HA THR A 10 7.960 9.511 -7.198 1.00 0.00 H new ATOM 0 HB THR A 10 6.718 7.417 -7.934 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.288 5.506 -7.756 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.461 6.741 -9.594 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.404 8.509 -9.403 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.698 7.570 -8.619 1.00 0.00 H new ATOM 130 N PHE A 11 7.086 7.858 -4.521 1.00 0.00 N ATOM 131 CA PHE A 11 6.213 7.758 -3.352 1.00 0.00 C ATOM 132 C PHE A 11 5.679 9.129 -2.966 1.00 0.00 C ATOM 133 O PHE A 11 4.490 9.323 -2.755 1.00 0.00 O ATOM 134 CB PHE A 11 7.040 7.184 -2.199 1.00 0.00 C ATOM 135 CG PHE A 11 6.354 7.070 -0.855 1.00 0.00 C ATOM 136 CD1 PHE A 11 5.561 5.947 -0.559 1.00 0.00 C ATOM 137 CD2 PHE A 11 6.653 8.000 0.158 1.00 0.00 C ATOM 138 CE1 PHE A 11 5.053 5.764 0.739 1.00 0.00 C ATOM 139 CE2 PHE A 11 6.175 7.798 1.463 1.00 0.00 C ATOM 140 CZ PHE A 11 5.367 6.687 1.752 1.00 0.00 C ATOM 0 H PHE A 11 7.895 7.243 -4.438 1.00 0.00 H new ATOM 0 HA PHE A 11 5.362 7.115 -3.577 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.384 6.191 -2.490 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.927 7.805 -2.076 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.342 5.224 -1.330 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.251 8.870 -0.069 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.422 4.915 0.958 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.429 8.498 2.245 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.987 6.541 2.752 1.00 0.00 H new ATOM 150 N LYS A 12 6.590 10.087 -2.894 1.00 0.00 N ATOM 151 CA LYS A 12 6.288 11.481 -2.619 1.00 0.00 C ATOM 152 C LYS A 12 5.049 11.970 -3.388 1.00 0.00 C ATOM 153 O LYS A 12 3.987 12.225 -2.819 1.00 0.00 O ATOM 154 CB LYS A 12 7.508 12.312 -3.027 1.00 0.00 C ATOM 155 CG LYS A 12 8.808 11.962 -2.283 1.00 0.00 C ATOM 156 CD LYS A 12 8.717 12.062 -0.754 1.00 0.00 C ATOM 157 CE LYS A 12 10.030 11.609 -0.101 1.00 0.00 C ATOM 158 NZ LYS A 12 10.233 10.153 -0.231 1.00 0.00 N ATOM 0 H LYS A 12 7.586 9.911 -3.029 1.00 0.00 H new ATOM 0 HA LYS A 12 6.067 11.591 -1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.674 12.186 -4.097 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.284 13.366 -2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.102 10.947 -2.551 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.600 12.625 -2.631 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.497 13.089 -0.464 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.894 11.446 -0.393 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.866 12.135 -0.562 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.024 11.882 0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.113 9.881 0.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.431 9.651 0.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.298 9.900 -1.238 1.00 0.00 H new ATOM 172 N ASN A 13 5.200 12.103 -4.704 1.00 0.00 N ATOM 173 CA ASN A 13 4.172 12.598 -5.606 1.00 0.00 C ATOM 174 C ASN A 13 2.967 11.681 -5.635 1.00 0.00 C ATOM 175 O ASN A 13 1.824 12.123 -5.573 1.00 0.00 O ATOM 176 CB ASN A 13 4.749 12.675 -7.029 1.00 0.00 C ATOM 177 CG ASN A 13 5.318 14.046 -7.402 1.00 0.00 C ATOM 178 OD1 ASN A 13 5.458 14.350 -8.581 1.00 0.00 O ATOM 179 ND2 ASN A 13 5.669 14.893 -6.434 1.00 0.00 N ATOM 0 H ASN A 13 6.068 11.861 -5.182 1.00 0.00 H new ATOM 0 HA ASN A 13 3.858 13.579 -5.250 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.536 11.928 -7.131 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.966 12.413 -7.741 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.059 15.805 -6.671 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.548 14.629 -5.456 1.00 0.00 H new ATOM 186 N VAL A 14 3.254 10.396 -5.780 1.00 0.00 N ATOM 187 CA VAL A 14 2.219 9.415 -6.065 1.00 0.00 C ATOM 188 C VAL A 14 1.343 9.116 -4.846 1.00 0.00 C ATOM 189 O VAL A 14 0.142 8.897 -4.990 1.00 0.00 O ATOM 190 CB VAL A 14 2.890 8.153 -6.630 1.00 0.00 C ATOM 191 CG1 VAL A 14 1.852 7.065 -6.911 1.00 0.00 C ATOM 192 CG2 VAL A 14 3.612 8.467 -7.951 1.00 0.00 C ATOM 0 H VAL A 14 4.195 10.009 -5.705 1.00 0.00 H new ATOM 0 HA VAL A 14 1.534 9.822 -6.808 1.00 0.00 H new ATOM 0 HB VAL A 14 3.604 7.806 -5.883 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.350 6.181 -7.310 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.338 6.805 -5.986 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.127 7.432 -7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.080 7.560 -8.334 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.892 8.839 -8.680 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.376 9.224 -7.777 1.00 0.00 H new ATOM 202 N VAL A 15 1.940 9.083 -3.658 1.00 0.00 N ATOM 203 CA VAL A 15 1.272 8.715 -2.422 1.00 0.00 C ATOM 204 C VAL A 15 0.977 9.943 -1.576 1.00 0.00 C ATOM 205 O VAL A 15 -0.188 10.253 -1.336 1.00 0.00 O ATOM 206 CB VAL A 15 2.136 7.712 -1.636 1.00 0.00 C ATOM 207 CG1 VAL A 15 1.394 7.216 -0.390 1.00 0.00 C ATOM 208 CG2 VAL A 15 2.556 6.536 -2.526 1.00 0.00 C ATOM 0 H VAL A 15 2.924 9.317 -3.529 1.00 0.00 H new ATOM 0 HA VAL A 15 0.321 8.244 -2.670 1.00 0.00 H new ATOM 0 HB VAL A 15 3.040 8.227 -1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.023 6.508 0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.162 8.062 0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.469 6.724 -0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.165 5.842 -1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.668 6.021 -2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.134 6.908 -3.372 1.00 0.00 H new ATOM 218 N LEU A 16 2.017 10.622 -1.090 1.00 0.00 N ATOM 219 CA LEU A 16 1.834 11.715 -0.145 1.00 0.00 C ATOM 220 C LEU A 16 1.034 12.841 -0.797 1.00 0.00 C ATOM 221 O LEU A 16 -0.069 13.148 -0.345 1.00 0.00 O ATOM 222 CB LEU A 16 3.187 12.207 0.385 1.00 0.00 C ATOM 223 CG LEU A 16 4.108 11.090 0.908 1.00 0.00 C ATOM 224 CD1 LEU A 16 5.355 11.739 1.513 1.00 0.00 C ATOM 225 CD2 LEU A 16 3.436 10.212 1.970 1.00 0.00 C ATOM 0 H LEU A 16 2.989 10.433 -1.336 1.00 0.00 H new ATOM 0 HA LEU A 16 1.266 11.354 0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.703 12.743 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.011 12.922 1.188 1.00 0.00 H new ATOM 0 HG LEU A 16 4.357 10.442 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.022 10.964 1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.870 12.320 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.062 12.396 2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.134 9.443 2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.145 10.828 2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.550 9.740 1.545 1.00 0.00 H new ATOM 237 N GLU A 17 1.530 13.414 -1.897 1.00 0.00 N ATOM 238 CA GLU A 17 0.840 14.503 -2.573 1.00 0.00 C ATOM 239 C GLU A 17 -0.312 13.985 -3.457 1.00 0.00 C ATOM 240 O GLU A 17 -0.507 14.483 -4.564 1.00 0.00 O ATOM 241 CB GLU A 17 1.859 15.305 -3.396 1.00 0.00 C ATOM 242 CG GLU A 17 2.967 15.974 -2.559 1.00 0.00 C ATOM 243 CD GLU A 17 4.304 15.233 -2.587 1.00 0.00 C ATOM 244 OE1 GLU A 17 4.885 15.136 -3.692 1.00 0.00 O ATOM 245 OE2 GLU A 17 4.743 14.804 -1.499 1.00 0.00 O ATOM 0 H GLU A 17 2.409 13.137 -2.335 1.00 0.00 H new ATOM 0 HA GLU A 17 0.388 15.154 -1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.322 14.641 -4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.329 16.075 -3.957 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.119 16.990 -2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.629 16.053 -1.526 1.00 0.00 H new ATOM 252 N SER A 18 -1.085 13.006 -2.975 1.00 0.00 N ATOM 253 CA SER A 18 -2.249 12.487 -3.685 1.00 0.00 C ATOM 254 C SER A 18 -3.490 13.284 -3.272 1.00 0.00 C ATOM 255 O SER A 18 -3.465 14.045 -2.305 1.00 0.00 O ATOM 256 CB SER A 18 -2.450 11.000 -3.371 1.00 0.00 C ATOM 257 OG SER A 18 -3.534 10.483 -4.128 1.00 0.00 O ATOM 0 H SER A 18 -0.916 12.552 -2.077 1.00 0.00 H new ATOM 0 HA SER A 18 -2.089 12.592 -4.758 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.540 10.446 -3.600 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.644 10.868 -2.307 1.00 0.00 H new ATOM 0 HG SER A 18 -4.252 10.202 -3.522 1.00 0.00 H new ATOM 263 N SER A 19 -4.583 13.078 -4.006 1.00 0.00 N ATOM 264 CA SER A 19 -5.885 13.668 -3.763 1.00 0.00 C ATOM 265 C SER A 19 -6.725 12.651 -2.991 1.00 0.00 C ATOM 266 O SER A 19 -6.984 12.807 -1.800 1.00 0.00 O ATOM 267 CB SER A 19 -6.510 14.014 -5.120 1.00 0.00 C ATOM 268 OG SER A 19 -6.383 12.907 -6.002 1.00 0.00 O ATOM 0 H SER A 19 -4.577 12.466 -4.822 1.00 0.00 H new ATOM 0 HA SER A 19 -5.821 14.582 -3.172 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.562 14.271 -4.992 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.018 14.889 -5.545 1.00 0.00 H new ATOM 0 HG SER A 19 -6.785 13.131 -6.867 1.00 0.00 H new ATOM 274 N VAL A 20 -7.133 11.590 -3.688 1.00 0.00 N ATOM 275 CA VAL A 20 -7.901 10.492 -3.117 1.00 0.00 C ATOM 276 C VAL A 20 -6.936 9.570 -2.359 1.00 0.00 C ATOM 277 O VAL A 20 -5.730 9.609 -2.629 1.00 0.00 O ATOM 278 CB VAL A 20 -8.646 9.729 -4.230 1.00 0.00 C ATOM 279 CG1 VAL A 20 -9.634 10.658 -4.949 1.00 0.00 C ATOM 280 CG2 VAL A 20 -7.711 9.074 -5.257 1.00 0.00 C ATOM 0 H VAL A 20 -6.934 11.471 -4.681 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.652 10.873 -2.425 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.184 8.922 -3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.151 10.103 -5.732 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.362 11.039 -4.233 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.091 11.492 -5.394 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.304 8.555 -6.010 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.104 9.841 -5.738 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.060 8.360 -4.753 1.00 0.00 H new ATOM 290 N PRO A 21 -7.425 8.771 -1.393 1.00 0.00 N ATOM 291 CA PRO A 21 -6.581 7.849 -0.658 1.00 0.00 C ATOM 292 C PRO A 21 -5.710 6.943 -1.524 1.00 0.00 C ATOM 293 O PRO A 21 -5.997 6.677 -2.692 1.00 0.00 O ATOM 294 CB PRO A 21 -7.522 7.006 0.185 1.00 0.00 C ATOM 295 CG PRO A 21 -8.721 7.902 0.433 1.00 0.00 C ATOM 296 CD PRO A 21 -8.746 8.857 -0.770 1.00 0.00 C ATOM 0 HA PRO A 21 -5.868 8.428 -0.071 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.810 6.093 -0.336 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.052 6.704 1.121 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.642 7.323 0.499 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.621 8.448 1.371 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.527 8.573 -1.475 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.960 9.877 -0.452 1.00 0.00 H new ATOM 304 N VAL A 22 -4.657 6.418 -0.900 1.00 0.00 N ATOM 305 CA VAL A 22 -3.659 5.585 -1.551 1.00 0.00 C ATOM 306 C VAL A 22 -3.234 4.450 -0.614 1.00 0.00 C ATOM 307 O VAL A 22 -2.866 4.709 0.529 1.00 0.00 O ATOM 308 CB VAL A 22 -2.451 6.465 -1.918 1.00 0.00 C ATOM 309 CG1 VAL A 22 -1.464 5.666 -2.764 1.00 0.00 C ATOM 310 CG2 VAL A 22 -2.850 7.732 -2.684 1.00 0.00 C ATOM 0 H VAL A 22 -4.474 6.565 0.093 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.073 5.140 -2.456 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.992 6.775 -0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.612 6.295 -3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.119 4.800 -2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.955 5.332 -3.678 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.958 8.313 -2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.353 7.454 -3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.524 8.331 -2.071 1.00 0.00 H new ATOM 320 N LEU A 23 -3.282 3.204 -1.088 1.00 0.00 N ATOM 321 CA LEU A 23 -2.859 2.000 -0.381 1.00 0.00 C ATOM 322 C LEU A 23 -1.504 1.584 -0.951 1.00 0.00 C ATOM 323 O LEU A 23 -1.438 1.051 -2.057 1.00 0.00 O ATOM 324 CB LEU A 23 -3.922 0.903 -0.564 1.00 0.00 C ATOM 325 CG LEU A 23 -3.691 -0.387 0.244 1.00 0.00 C ATOM 326 CD1 LEU A 23 -4.942 -1.266 0.138 1.00 0.00 C ATOM 327 CD2 LEU A 23 -2.493 -1.211 -0.247 1.00 0.00 C ATOM 0 H LEU A 23 -3.635 3.000 -2.023 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.756 2.176 0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.894 1.314 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.973 0.644 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.483 -0.081 1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.791 -2.184 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.800 -0.727 0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.126 -1.513 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.390 -2.105 0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.652 -1.501 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.585 -0.613 -0.172 1.00 0.00 H new ATOM 339 N VAL A 24 -0.421 1.824 -0.211 1.00 0.00 N ATOM 340 CA VAL A 24 0.919 1.437 -0.625 1.00 0.00 C ATOM 341 C VAL A 24 1.244 0.088 -0.002 1.00 0.00 C ATOM 342 O VAL A 24 1.148 -0.047 1.216 1.00 0.00 O ATOM 343 CB VAL A 24 1.952 2.466 -0.145 1.00 0.00 C ATOM 344 CG1 VAL A 24 3.361 2.097 -0.636 1.00 0.00 C ATOM 345 CG2 VAL A 24 1.601 3.860 -0.656 1.00 0.00 C ATOM 0 H VAL A 24 -0.453 2.294 0.694 1.00 0.00 H new ATOM 0 HA VAL A 24 0.956 1.384 -1.713 1.00 0.00 H new ATOM 0 HB VAL A 24 1.937 2.462 0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.076 2.841 -0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.636 1.116 -0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.372 2.072 -1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.345 4.574 -0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.588 3.856 -1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.618 4.147 -0.283 1.00 0.00 H new ATOM 355 N ASP A 25 1.647 -0.895 -0.808 1.00 0.00 N ATOM 356 CA ASP A 25 2.112 -2.180 -0.318 1.00 0.00 C ATOM 357 C ASP A 25 3.637 -2.159 -0.372 1.00 0.00 C ATOM 358 O ASP A 25 4.216 -2.038 -1.452 1.00 0.00 O ATOM 359 CB ASP A 25 1.538 -3.321 -1.163 1.00 0.00 C ATOM 360 CG ASP A 25 2.188 -4.666 -0.833 1.00 0.00 C ATOM 361 OD1 ASP A 25 2.549 -4.861 0.349 1.00 0.00 O ATOM 362 OD2 ASP A 25 2.312 -5.479 -1.774 1.00 0.00 O ATOM 0 H ASP A 25 1.658 -0.815 -1.825 1.00 0.00 H new ATOM 0 HA ASP A 25 1.776 -2.350 0.705 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.463 -3.388 -0.997 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.684 -3.098 -2.220 1.00 0.00 H new ATOM 367 N PHE A 26 4.308 -2.242 0.776 1.00 0.00 N ATOM 368 CA PHE A 26 5.759 -2.329 0.800 1.00 0.00 C ATOM 369 C PHE A 26 6.058 -3.783 0.474 1.00 0.00 C ATOM 370 O PHE A 26 5.724 -4.658 1.273 1.00 0.00 O ATOM 371 CB PHE A 26 6.313 -1.948 2.177 1.00 0.00 C ATOM 372 CG PHE A 26 6.305 -0.462 2.489 1.00 0.00 C ATOM 373 CD1 PHE A 26 5.094 0.257 2.543 1.00 0.00 C ATOM 374 CD2 PHE A 26 7.515 0.195 2.778 1.00 0.00 C ATOM 375 CE1 PHE A 26 5.098 1.623 2.864 1.00 0.00 C ATOM 376 CE2 PHE A 26 7.512 1.552 3.145 1.00 0.00 C ATOM 377 CZ PHE A 26 6.301 2.264 3.197 1.00 0.00 C ATOM 0 H PHE A 26 3.868 -2.250 1.696 1.00 0.00 H new ATOM 0 HA PHE A 26 6.225 -1.642 0.093 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.733 -2.466 2.940 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.337 -2.313 2.253 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.160 -0.245 2.337 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.449 -0.345 2.718 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.174 2.182 2.855 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.440 2.048 3.387 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.297 3.303 3.493 1.00 0.00 H new ATOM 387 N TRP A 27 6.641 -4.033 -0.699 1.00 0.00 N ATOM 388 CA TRP A 27 6.906 -5.385 -1.170 1.00 0.00 C ATOM 389 C TRP A 27 8.364 -5.516 -1.583 1.00 0.00 C ATOM 390 O TRP A 27 9.169 -4.596 -1.442 1.00 0.00 O ATOM 391 CB TRP A 27 6.012 -5.703 -2.381 1.00 0.00 C ATOM 392 CG TRP A 27 6.442 -5.037 -3.651 1.00 0.00 C ATOM 393 CD1 TRP A 27 6.375 -3.711 -3.879 1.00 0.00 C ATOM 394 CD2 TRP A 27 7.128 -5.605 -4.807 1.00 0.00 C ATOM 395 NE1 TRP A 27 7.062 -3.391 -5.031 1.00 0.00 N ATOM 396 CE2 TRP A 27 7.560 -4.525 -5.637 1.00 0.00 C ATOM 397 CE3 TRP A 27 7.499 -6.907 -5.220 1.00 0.00 C ATOM 398 CZ2 TRP A 27 8.353 -4.728 -6.777 1.00 0.00 C ATOM 399 CZ3 TRP A 27 8.092 -7.109 -6.473 1.00 0.00 C ATOM 400 CH2 TRP A 27 8.581 -6.034 -7.223 1.00 0.00 C ATOM 0 H TRP A 27 6.941 -3.303 -1.345 1.00 0.00 H new ATOM 0 HA TRP A 27 6.691 -6.084 -0.362 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.999 -6.782 -2.536 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.990 -5.401 -2.153 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.858 -3.001 -3.250 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.185 -2.443 -5.387 1.00 0.00 H new ATOM 0 HE3 TRP A 27 7.324 -7.749 -4.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 8.781 -3.887 -7.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 8.173 -8.111 -6.867 1.00 0.00 H new ATOM 0 HH2 TRP A 27 9.129 -6.211 -8.137 1.00 0.00 H new ATOM 411 N ALA A 28 8.690 -6.678 -2.141 1.00 0.00 N ATOM 412 CA ALA A 28 9.960 -6.987 -2.772 1.00 0.00 C ATOM 413 C ALA A 28 9.757 -8.311 -3.501 1.00 0.00 C ATOM 414 O ALA A 28 9.083 -9.179 -2.960 1.00 0.00 O ATOM 415 CB ALA A 28 11.082 -7.152 -1.758 1.00 0.00 C ATOM 0 H ALA A 28 8.041 -7.465 -2.164 1.00 0.00 H new ATOM 0 HA ALA A 28 10.249 -6.173 -3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.012 -7.382 -2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.201 -6.227 -1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.838 -7.965 -1.074 1.00 0.00 H new ATOM 421 N PRO A 29 10.292 -8.504 -4.707 1.00 0.00 N ATOM 422 CA PRO A 29 10.132 -9.736 -5.466 1.00 0.00 C ATOM 423 C PRO A 29 10.182 -11.053 -4.689 1.00 0.00 C ATOM 424 O PRO A 29 9.257 -11.851 -4.796 1.00 0.00 O ATOM 425 CB PRO A 29 11.261 -9.642 -6.456 1.00 0.00 C ATOM 426 CG PRO A 29 11.329 -8.171 -6.836 1.00 0.00 C ATOM 427 CD PRO A 29 11.041 -7.515 -5.479 1.00 0.00 C ATOM 0 HA PRO A 29 9.127 -9.790 -5.884 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.200 -9.980 -6.017 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.074 -10.267 -7.329 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.305 -7.891 -7.233 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.589 -7.904 -7.591 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.967 -7.243 -4.972 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.465 -6.598 -5.603 1.00 0.00 H new ATOM 435 N TRP A 30 11.241 -11.304 -3.915 1.00 0.00 N ATOM 436 CA TRP A 30 11.391 -12.543 -3.155 1.00 0.00 C ATOM 437 C TRP A 30 10.225 -12.783 -2.183 1.00 0.00 C ATOM 438 O TRP A 30 9.975 -13.920 -1.779 1.00 0.00 O ATOM 439 CB TRP A 30 12.723 -12.497 -2.392 1.00 0.00 C ATOM 440 CG TRP A 30 12.944 -11.295 -1.517 1.00 0.00 C ATOM 441 CD1 TRP A 30 13.721 -10.234 -1.831 1.00 0.00 C ATOM 442 CD2 TRP A 30 12.392 -11.001 -0.196 1.00 0.00 C ATOM 443 NE1 TRP A 30 13.676 -9.299 -0.818 1.00 0.00 N ATOM 444 CE2 TRP A 30 12.857 -9.716 0.210 1.00 0.00 C ATOM 445 CE3 TRP A 30 11.548 -11.687 0.705 1.00 0.00 C ATOM 446 CZ2 TRP A 30 12.477 -9.129 1.427 1.00 0.00 C ATOM 447 CZ3 TRP A 30 11.122 -11.089 1.905 1.00 0.00 C ATOM 448 CH2 TRP A 30 11.568 -9.804 2.258 1.00 0.00 C ATOM 0 H TRP A 30 12.017 -10.653 -3.799 1.00 0.00 H new ATOM 0 HA TRP A 30 11.384 -13.376 -3.858 1.00 0.00 H new ATOM 0 HB2 TRP A 30 12.794 -13.390 -1.772 1.00 0.00 H new ATOM 0 HB3 TRP A 30 13.535 -12.547 -3.117 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.293 -10.133 -2.742 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.183 -8.414 -0.828 1.00 0.00 H new ATOM 0 HE3 TRP A 30 11.224 -12.690 0.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 12.879 -8.170 1.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 10.448 -11.621 2.559 1.00 0.00 H new ATOM 0 HH2 TRP A 30 11.213 -9.337 3.165 1.00 0.00 H new ATOM 459 N CYS A 31 9.495 -11.725 -1.825 1.00 0.00 N ATOM 460 CA CYS A 31 8.429 -11.785 -0.831 1.00 0.00 C ATOM 461 C CYS A 31 7.199 -12.535 -1.349 1.00 0.00 C ATOM 462 O CYS A 31 6.242 -11.933 -1.832 1.00 0.00 O ATOM 463 CB CYS A 31 8.061 -10.369 -0.398 1.00 0.00 C ATOM 464 SG CYS A 31 6.718 -10.279 0.789 1.00 0.00 S ATOM 0 H CYS A 31 9.631 -10.795 -2.222 1.00 0.00 H new ATOM 0 HA CYS A 31 8.796 -12.345 0.029 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.942 -9.894 0.033 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.788 -9.792 -1.281 1.00 0.00 H new ATOM 469 N GLY A 32 7.207 -13.863 -1.207 1.00 0.00 N ATOM 470 CA GLY A 32 6.097 -14.738 -1.578 1.00 0.00 C ATOM 471 C GLY A 32 4.722 -14.193 -1.184 1.00 0.00 C ATOM 472 O GLY A 32 3.855 -14.069 -2.049 1.00 0.00 O ATOM 0 H GLY A 32 8.005 -14.369 -0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.118 -14.899 -2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.240 -15.711 -1.107 1.00 0.00 H new ATOM 476 N PRO A 33 4.495 -13.860 0.099 1.00 0.00 N ATOM 477 CA PRO A 33 3.214 -13.346 0.550 1.00 0.00 C ATOM 478 C PRO A 33 2.834 -12.071 -0.215 1.00 0.00 C ATOM 479 O PRO A 33 1.667 -11.865 -0.538 1.00 0.00 O ATOM 480 CB PRO A 33 3.344 -13.144 2.062 1.00 0.00 C ATOM 481 CG PRO A 33 4.518 -14.039 2.456 1.00 0.00 C ATOM 482 CD PRO A 33 5.410 -13.984 1.220 1.00 0.00 C ATOM 0 HA PRO A 33 2.396 -14.038 0.347 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.537 -12.100 2.310 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.431 -13.432 2.583 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.031 -13.667 3.343 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.195 -15.056 2.678 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.095 -13.137 1.265 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.020 -14.883 1.134 1.00 0.00 H new ATOM 490 N CYS A 34 3.820 -11.229 -0.543 1.00 0.00 N ATOM 491 CA CYS A 34 3.597 -10.027 -1.324 1.00 0.00 C ATOM 492 C CYS A 34 3.173 -10.437 -2.730 1.00 0.00 C ATOM 493 O CYS A 34 2.188 -9.923 -3.244 1.00 0.00 O ATOM 494 CB CYS A 34 4.828 -9.142 -1.421 1.00 0.00 C ATOM 495 SG CYS A 34 5.666 -8.620 0.100 1.00 0.00 S ATOM 0 H CYS A 34 4.793 -11.370 -0.270 1.00 0.00 H new ATOM 0 HA CYS A 34 2.824 -9.447 -0.820 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.560 -9.665 -2.036 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.542 -8.241 -1.964 1.00 0.00 H new ATOM 500 N ARG A 35 3.913 -11.356 -3.364 1.00 0.00 N ATOM 501 CA ARG A 35 3.605 -11.813 -4.708 1.00 0.00 C ATOM 502 C ARG A 35 2.174 -12.340 -4.795 1.00 0.00 C ATOM 503 O ARG A 35 1.465 -12.014 -5.742 1.00 0.00 O ATOM 504 CB ARG A 35 4.577 -12.919 -5.145 1.00 0.00 C ATOM 505 CG ARG A 35 6.021 -12.443 -5.349 1.00 0.00 C ATOM 506 CD ARG A 35 6.784 -13.425 -6.254 1.00 0.00 C ATOM 507 NE ARG A 35 6.795 -14.798 -5.725 1.00 0.00 N ATOM 508 CZ ARG A 35 7.614 -15.259 -4.768 1.00 0.00 C ATOM 509 NH1 ARG A 35 8.476 -14.438 -4.162 1.00 0.00 N ATOM 510 NH2 ARG A 35 7.552 -16.544 -4.407 1.00 0.00 N ATOM 0 H ARG A 35 4.737 -11.797 -2.954 1.00 0.00 H new ATOM 0 HA ARG A 35 3.710 -10.957 -5.374 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.570 -13.710 -4.396 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.216 -13.358 -6.075 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.024 -11.449 -5.796 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.524 -12.361 -4.385 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.330 -13.426 -7.245 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.811 -13.079 -6.374 1.00 0.00 H new ATOM 0 HE ARG A 35 6.122 -15.455 -6.120 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.514 -13.454 -4.426 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.096 -14.796 -3.435 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.884 -17.169 -4.859 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.172 -16.900 -3.680 1.00 0.00 H new ATOM 524 N ILE A 36 1.753 -13.172 -3.837 1.00 0.00 N ATOM 525 CA ILE A 36 0.414 -13.754 -3.889 1.00 0.00 C ATOM 526 C ILE A 36 -0.668 -12.752 -3.469 1.00 0.00 C ATOM 527 O ILE A 36 -1.783 -12.867 -3.972 1.00 0.00 O ATOM 528 CB ILE A 36 0.342 -15.093 -3.123 1.00 0.00 C ATOM 529 CG1 ILE A 36 0.654 -14.998 -1.622 1.00 0.00 C ATOM 530 CG2 ILE A 36 1.332 -16.077 -3.766 1.00 0.00 C ATOM 531 CD1 ILE A 36 -0.575 -14.714 -0.753 1.00 0.00 C ATOM 0 H ILE A 36 2.311 -13.452 -3.031 1.00 0.00 H new ATOM 0 HA ILE A 36 0.202 -13.993 -4.931 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.693 -15.427 -3.196 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.111 -15.932 -1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.390 -14.210 -1.462 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.294 -17.029 -3.237 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.064 -16.232 -4.811 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.341 -15.669 -3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.276 -14.661 0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.020 -13.765 -1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.304 -15.514 -0.882 1.00 0.00 H new ATOM 543 N ILE A 37 -0.396 -11.785 -2.576 1.00 0.00 N ATOM 544 CA ILE A 37 -1.415 -10.827 -2.157 1.00 0.00 C ATOM 545 C ILE A 37 -1.531 -9.637 -3.119 1.00 0.00 C ATOM 546 O ILE A 37 -2.636 -9.161 -3.360 1.00 0.00 O ATOM 547 CB ILE A 37 -1.173 -10.417 -0.689 1.00 0.00 C ATOM 548 CG1 ILE A 37 -2.499 -10.102 0.015 1.00 0.00 C ATOM 549 CG2 ILE A 37 -0.236 -9.211 -0.551 1.00 0.00 C ATOM 550 CD1 ILE A 37 -3.357 -11.364 0.158 1.00 0.00 C ATOM 0 H ILE A 37 0.515 -11.652 -2.138 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.391 -11.309 -2.204 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.690 -11.272 -0.215 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.301 -9.679 1.000 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.046 -9.348 -0.551 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.105 -8.971 0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.732 -9.450 -0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.668 -8.354 -1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.291 -11.114 0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.574 -11.771 -0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.817 -12.106 0.746 1.00 0.00 H new ATOM 562 N ALA A 38 -0.428 -9.156 -3.703 1.00 0.00 N ATOM 563 CA ALA A 38 -0.419 -8.038 -4.645 1.00 0.00 C ATOM 564 C ALA A 38 -1.604 -8.035 -5.632 1.00 0.00 C ATOM 565 O ALA A 38 -2.256 -7.003 -5.735 1.00 0.00 O ATOM 566 CB ALA A 38 0.914 -8.007 -5.402 1.00 0.00 C ATOM 0 H ALA A 38 0.500 -9.542 -3.529 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.535 -7.133 -4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.915 -7.172 -6.103 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.733 -7.887 -4.692 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.043 -8.940 -5.950 1.00 0.00 H new ATOM 572 N PRO A 39 -1.952 -9.132 -6.332 1.00 0.00 N ATOM 573 CA PRO A 39 -3.071 -9.152 -7.264 1.00 0.00 C ATOM 574 C PRO A 39 -4.382 -8.825 -6.545 1.00 0.00 C ATOM 575 O PRO A 39 -5.275 -8.205 -7.112 1.00 0.00 O ATOM 576 CB PRO A 39 -3.116 -10.569 -7.859 1.00 0.00 C ATOM 577 CG PRO A 39 -1.761 -11.172 -7.491 1.00 0.00 C ATOM 578 CD PRO A 39 -1.466 -10.481 -6.166 1.00 0.00 C ATOM 0 HA PRO A 39 -2.944 -8.402 -8.045 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.938 -11.151 -7.441 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.261 -10.543 -8.939 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.810 -12.256 -7.386 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.000 -10.959 -8.242 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.968 -10.983 -5.339 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.399 -10.492 -5.944 1.00 0.00 H new ATOM 586 N VAL A 40 -4.493 -9.258 -5.288 1.00 0.00 N ATOM 587 CA VAL A 40 -5.644 -9.020 -4.439 1.00 0.00 C ATOM 588 C VAL A 40 -5.679 -7.532 -4.079 1.00 0.00 C ATOM 589 O VAL A 40 -6.716 -6.882 -4.212 1.00 0.00 O ATOM 590 CB VAL A 40 -5.578 -9.942 -3.205 1.00 0.00 C ATOM 591 CG1 VAL A 40 -6.887 -9.882 -2.429 1.00 0.00 C ATOM 592 CG2 VAL A 40 -5.325 -11.403 -3.607 1.00 0.00 C ATOM 0 H VAL A 40 -3.761 -9.798 -4.827 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.575 -9.260 -4.953 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.752 -9.591 -2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.826 -10.538 -1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.068 -8.859 -2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.706 -10.206 -3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.284 -12.025 -2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.133 -11.748 -4.252 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.378 -11.474 -4.142 1.00 0.00 H new ATOM 602 N VAL A 41 -4.538 -6.980 -3.650 1.00 0.00 N ATOM 603 CA VAL A 41 -4.424 -5.554 -3.348 1.00 0.00 C ATOM 604 C VAL A 41 -4.903 -4.762 -4.578 1.00 0.00 C ATOM 605 O VAL A 41 -5.761 -3.881 -4.485 1.00 0.00 O ATOM 606 CB VAL A 41 -2.965 -5.189 -2.987 1.00 0.00 C ATOM 607 CG1 VAL A 41 -2.869 -3.719 -2.557 1.00 0.00 C ATOM 608 CG2 VAL A 41 -2.387 -6.050 -1.855 1.00 0.00 C ATOM 0 H VAL A 41 -3.676 -7.506 -3.504 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.042 -5.303 -2.486 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.384 -5.375 -3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.835 -3.480 -2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.202 -3.079 -3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.501 -3.553 -1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.361 -5.742 -1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.990 -5.921 -0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.399 -7.098 -2.153 1.00 0.00 H new ATOM 618 N ASP A 42 -4.343 -5.116 -5.737 1.00 0.00 N ATOM 619 CA ASP A 42 -4.625 -4.505 -7.025 1.00 0.00 C ATOM 620 C ASP A 42 -6.111 -4.593 -7.358 1.00 0.00 C ATOM 621 O ASP A 42 -6.730 -3.570 -7.638 1.00 0.00 O ATOM 622 CB ASP A 42 -3.812 -5.194 -8.136 1.00 0.00 C ATOM 623 CG ASP A 42 -2.296 -5.161 -7.948 1.00 0.00 C ATOM 624 OD1 ASP A 42 -1.822 -4.337 -7.136 1.00 0.00 O ATOM 625 OD2 ASP A 42 -1.623 -5.966 -8.629 1.00 0.00 O ATOM 0 H ASP A 42 -3.655 -5.866 -5.799 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.339 -3.455 -6.964 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.131 -6.234 -8.206 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.054 -4.722 -9.088 1.00 0.00 H new ATOM 630 N GLU A 43 -6.689 -5.801 -7.351 1.00 0.00 N ATOM 631 CA GLU A 43 -8.074 -5.971 -7.748 1.00 0.00 C ATOM 632 C GLU A 43 -8.974 -5.136 -6.846 1.00 0.00 C ATOM 633 O GLU A 43 -9.763 -4.350 -7.365 1.00 0.00 O ATOM 634 CB GLU A 43 -8.475 -7.455 -7.795 1.00 0.00 C ATOM 635 CG GLU A 43 -9.003 -8.056 -6.484 1.00 0.00 C ATOM 636 CD GLU A 43 -9.266 -9.550 -6.606 1.00 0.00 C ATOM 637 OE1 GLU A 43 -10.235 -9.896 -7.314 1.00 0.00 O ATOM 638 OE2 GLU A 43 -8.508 -10.320 -5.976 1.00 0.00 O ATOM 0 H GLU A 43 -6.216 -6.662 -7.076 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.200 -5.605 -8.767 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.240 -7.579 -8.561 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.608 -8.034 -8.113 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.280 -7.879 -5.687 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.924 -7.548 -6.198 1.00 0.00 H new ATOM 645 N ILE A 44 -8.831 -5.254 -5.518 1.00 0.00 N ATOM 646 CA ILE A 44 -9.661 -4.513 -4.572 1.00 0.00 C ATOM 647 C ILE A 44 -9.638 -3.034 -4.948 1.00 0.00 C ATOM 648 O ILE A 44 -10.686 -2.414 -5.132 1.00 0.00 O ATOM 649 CB ILE A 44 -9.174 -4.749 -3.128 1.00 0.00 C ATOM 650 CG1 ILE A 44 -9.463 -6.206 -2.720 1.00 0.00 C ATOM 651 CG2 ILE A 44 -9.892 -3.792 -2.160 1.00 0.00 C ATOM 652 CD1 ILE A 44 -8.763 -6.597 -1.415 1.00 0.00 C ATOM 0 H ILE A 44 -8.141 -5.862 -5.077 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.691 -4.867 -4.620 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.102 -4.560 -3.081 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -10.539 -6.342 -2.607 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.139 -6.875 -3.517 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.539 -3.969 -1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.680 -2.761 -2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.967 -3.967 -2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.999 -7.633 -1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.685 -6.489 -1.534 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.106 -5.948 -0.609 1.00 0.00 H new ATOM 664 N ALA A 45 -8.440 -2.467 -5.100 1.00 0.00 N ATOM 665 CA ALA A 45 -8.283 -1.070 -5.476 1.00 0.00 C ATOM 666 C ALA A 45 -8.860 -0.783 -6.868 1.00 0.00 C ATOM 667 O ALA A 45 -9.350 0.319 -7.122 1.00 0.00 O ATOM 668 CB ALA A 45 -6.803 -0.726 -5.408 1.00 0.00 C ATOM 0 H ALA A 45 -7.559 -2.964 -4.966 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.844 -0.443 -4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.659 0.318 -5.686 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.439 -0.885 -4.393 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.249 -1.364 -6.096 1.00 0.00 H new ATOM 674 N GLY A 46 -8.802 -1.757 -7.781 1.00 0.00 N ATOM 675 CA GLY A 46 -9.368 -1.643 -9.112 1.00 0.00 C ATOM 676 C GLY A 46 -10.884 -1.512 -9.009 1.00 0.00 C ATOM 677 O GLY A 46 -11.487 -0.718 -9.726 1.00 0.00 O ATOM 0 H GLY A 46 -8.353 -2.656 -7.606 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.951 -0.775 -9.623 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.107 -2.519 -9.706 1.00 0.00 H new ATOM 681 N GLU A 47 -11.503 -2.287 -8.113 1.00 0.00 N ATOM 682 CA GLU A 47 -12.933 -2.207 -7.869 1.00 0.00 C ATOM 683 C GLU A 47 -13.260 -0.856 -7.238 1.00 0.00 C ATOM 684 O GLU A 47 -14.133 -0.127 -7.706 1.00 0.00 O ATOM 685 CB GLU A 47 -13.395 -3.361 -6.967 1.00 0.00 C ATOM 686 CG GLU A 47 -12.994 -4.726 -7.549 1.00 0.00 C ATOM 687 CD GLU A 47 -13.949 -5.848 -7.154 1.00 0.00 C ATOM 688 OE1 GLU A 47 -15.154 -5.700 -7.453 1.00 0.00 O ATOM 689 OE2 GLU A 47 -13.454 -6.834 -6.564 1.00 0.00 O ATOM 0 H GLU A 47 -11.023 -2.983 -7.542 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.466 -2.296 -8.815 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.959 -3.245 -5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.478 -3.319 -6.847 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.957 -4.654 -8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.988 -4.977 -7.212 1.00 0.00 H new ATOM 696 N TYR A 48 -12.533 -0.508 -6.176 1.00 0.00 N ATOM 697 CA TYR A 48 -12.741 0.711 -5.399 1.00 0.00 C ATOM 698 C TYR A 48 -12.020 1.890 -6.073 1.00 0.00 C ATOM 699 O TYR A 48 -11.136 2.541 -5.503 1.00 0.00 O ATOM 700 CB TYR A 48 -12.286 0.466 -3.951 1.00 0.00 C ATOM 701 CG TYR A 48 -12.984 -0.658 -3.190 1.00 0.00 C ATOM 702 CD1 TYR A 48 -14.030 -1.420 -3.758 1.00 0.00 C ATOM 703 CD2 TYR A 48 -12.578 -0.936 -1.871 1.00 0.00 C ATOM 704 CE1 TYR A 48 -14.578 -2.510 -3.063 1.00 0.00 C ATOM 705 CE2 TYR A 48 -13.212 -1.950 -1.132 1.00 0.00 C ATOM 706 CZ TYR A 48 -14.213 -2.737 -1.728 1.00 0.00 C ATOM 707 OH TYR A 48 -14.920 -3.631 -0.984 1.00 0.00 O ATOM 0 H TYR A 48 -11.765 -1.081 -5.825 1.00 0.00 H new ATOM 0 HA TYR A 48 -13.798 0.976 -5.366 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.217 0.255 -3.962 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.423 1.391 -3.391 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.411 -1.162 -4.735 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.776 -0.367 -1.425 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -15.277 -3.170 -3.554 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -12.930 -2.125 -0.104 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.306 -3.176 -0.206 1.00 0.00 H new ATOM 717 N LYS A 49 -12.440 2.142 -7.317 1.00 0.00 N ATOM 718 CA LYS A 49 -11.910 3.139 -8.234 1.00 0.00 C ATOM 719 C LYS A 49 -11.709 4.492 -7.554 1.00 0.00 C ATOM 720 O LYS A 49 -10.574 4.928 -7.371 1.00 0.00 O ATOM 721 CB LYS A 49 -12.843 3.264 -9.450 1.00 0.00 C ATOM 722 CG LYS A 49 -12.810 1.978 -10.284 1.00 0.00 C ATOM 723 CD LYS A 49 -13.765 2.043 -11.481 1.00 0.00 C ATOM 724 CE LYS A 49 -13.621 0.796 -12.364 1.00 0.00 C ATOM 725 NZ LYS A 49 -13.815 -0.454 -11.604 1.00 0.00 N ATOM 0 H LYS A 49 -13.210 1.617 -7.731 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.926 2.809 -8.568 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.861 3.462 -9.116 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -12.538 4.111 -10.064 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.795 1.803 -10.640 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.077 1.130 -9.653 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.793 2.127 -11.127 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.557 2.936 -12.070 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.348 0.842 -13.175 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.632 0.790 -12.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.877 -1.255 -12.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.011 -0.597 -10.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.694 -0.391 -11.051 1.00 0.00 H new ATOM 739 N ASP A 50 -12.812 5.128 -7.174 1.00 0.00 N ATOM 740 CA ASP A 50 -12.851 6.463 -6.595 1.00 0.00 C ATOM 741 C ASP A 50 -11.899 6.663 -5.419 1.00 0.00 C ATOM 742 O ASP A 50 -11.044 7.543 -5.429 1.00 0.00 O ATOM 743 CB ASP A 50 -14.279 6.720 -6.105 1.00 0.00 C ATOM 744 CG ASP A 50 -14.408 8.085 -5.436 1.00 0.00 C ATOM 745 OD1 ASP A 50 -14.476 9.081 -6.187 1.00 0.00 O ATOM 746 OD2 ASP A 50 -14.434 8.099 -4.186 1.00 0.00 O ATOM 0 H ASP A 50 -13.738 4.710 -7.265 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.534 7.157 -7.373 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.969 6.660 -6.947 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.568 5.940 -5.400 1.00 0.00 H new ATOM 751 N LYS A 51 -12.079 5.834 -4.397 1.00 0.00 N ATOM 752 CA LYS A 51 -11.482 6.084 -3.097 1.00 0.00 C ATOM 753 C LYS A 51 -10.008 5.727 -2.968 1.00 0.00 C ATOM 754 O LYS A 51 -9.219 6.573 -2.560 1.00 0.00 O ATOM 755 CB LYS A 51 -12.255 5.306 -2.023 1.00 0.00 C ATOM 756 CG LYS A 51 -13.746 5.665 -1.964 1.00 0.00 C ATOM 757 CD LYS A 51 -14.489 4.949 -0.822 1.00 0.00 C ATOM 758 CE LYS A 51 -14.792 3.465 -1.088 1.00 0.00 C ATOM 759 NZ LYS A 51 -13.672 2.575 -0.730 1.00 0.00 N ATOM 0 H LYS A 51 -12.636 4.981 -4.447 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.546 7.164 -2.966 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.154 4.238 -2.215 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.804 5.499 -1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.850 6.743 -1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.215 5.407 -2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.893 5.027 0.087 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.428 5.470 -0.634 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.676 3.173 -0.521 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -15.031 3.332 -2.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.026 1.605 -0.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.962 2.588 -1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.237 2.903 0.156 1.00 0.00 H new ATOM 773 N LEU A 52 -9.624 4.490 -3.282 1.00 0.00 N ATOM 774 CA LEU A 52 -8.311 4.018 -2.833 1.00 0.00 C ATOM 775 C LEU A 52 -7.399 3.564 -3.966 1.00 0.00 C ATOM 776 O LEU A 52 -7.716 2.623 -4.687 1.00 0.00 O ATOM 777 CB LEU A 52 -8.571 2.932 -1.787 1.00 0.00 C ATOM 778 CG LEU A 52 -7.339 2.501 -0.980 1.00 0.00 C ATOM 779 CD1 LEU A 52 -6.630 3.647 -0.256 1.00 0.00 C ATOM 780 CD2 LEU A 52 -7.847 1.562 0.113 1.00 0.00 C ATOM 0 H LEU A 52 -10.174 3.821 -3.821 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.750 4.842 -2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.333 3.290 -1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.983 2.056 -2.289 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.629 2.062 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.771 3.256 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.292 4.384 -0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.321 4.118 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.008 1.223 0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.561 2.091 0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.335 0.701 -0.345 1.00 0.00 H new ATOM 792 N LYS A 53 -6.262 4.238 -4.138 1.00 0.00 N ATOM 793 CA LYS A 53 -5.294 3.978 -5.196 1.00 0.00 C ATOM 794 C LYS A 53 -4.239 2.978 -4.724 1.00 0.00 C ATOM 795 O LYS A 53 -3.472 3.275 -3.819 1.00 0.00 O ATOM 796 CB LYS A 53 -4.686 5.329 -5.605 1.00 0.00 C ATOM 797 CG LYS A 53 -3.979 5.330 -6.969 1.00 0.00 C ATOM 798 CD LYS A 53 -2.492 4.984 -6.854 1.00 0.00 C ATOM 799 CE LYS A 53 -1.836 4.817 -8.229 1.00 0.00 C ATOM 800 NZ LYS A 53 -1.884 6.056 -9.024 1.00 0.00 N ATOM 0 H LYS A 53 -5.983 5.003 -3.524 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.770 3.523 -6.064 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.478 6.078 -5.621 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.972 5.637 -4.841 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.467 4.612 -7.629 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.087 6.312 -7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.978 5.770 -6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.377 4.063 -6.283 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.798 4.511 -8.099 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.338 4.018 -8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.356 5.921 -9.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.873 6.290 -9.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.457 6.834 -8.481 1.00 0.00 H new ATOM 814 N CYS A 54 -4.160 1.800 -5.340 1.00 0.00 N ATOM 815 CA CYS A 54 -3.168 0.801 -4.934 1.00 0.00 C ATOM 816 C CYS A 54 -1.803 1.171 -5.506 1.00 0.00 C ATOM 817 O CYS A 54 -1.701 1.685 -6.620 1.00 0.00 O ATOM 818 CB CYS A 54 -3.566 -0.609 -5.398 1.00 0.00 C ATOM 819 SG CYS A 54 -2.105 -1.688 -5.472 1.00 0.00 S ATOM 0 H CYS A 54 -4.762 1.514 -6.113 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.121 0.793 -3.845 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.302 -1.030 -4.713 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.037 -0.556 -6.380 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.340 -2.683 -6.275 1.00 0.00 H new ATOM 825 N VAL A 55 -0.748 0.939 -4.728 1.00 0.00 N ATOM 826 CA VAL A 55 0.616 1.135 -5.172 1.00 0.00 C ATOM 827 C VAL A 55 1.495 0.106 -4.489 1.00 0.00 C ATOM 828 O VAL A 55 1.092 -0.508 -3.503 1.00 0.00 O ATOM 829 CB VAL A 55 1.128 2.559 -4.908 1.00 0.00 C ATOM 830 CG1 VAL A 55 1.567 3.157 -6.242 1.00 0.00 C ATOM 831 CG2 VAL A 55 0.111 3.488 -4.252 1.00 0.00 C ATOM 0 H VAL A 55 -0.824 0.608 -3.766 1.00 0.00 H new ATOM 0 HA VAL A 55 0.650 1.004 -6.254 1.00 0.00 H new ATOM 0 HB VAL A 55 1.950 2.474 -4.197 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.936 4.170 -6.083 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.361 2.545 -6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.719 3.183 -6.926 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.559 4.471 -4.104 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.764 3.581 -4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.189 3.077 -3.288 1.00 0.00 H new ATOM 841 N LYS A 56 2.701 -0.066 -5.020 1.00 0.00 N ATOM 842 CA LYS A 56 3.649 -1.062 -4.572 1.00 0.00 C ATOM 843 C LYS A 56 5.045 -0.447 -4.507 1.00 0.00 C ATOM 844 O LYS A 56 5.587 -0.048 -5.537 1.00 0.00 O ATOM 845 CB LYS A 56 3.573 -2.223 -5.562 1.00 0.00 C ATOM 846 CG LYS A 56 2.429 -3.164 -5.167 1.00 0.00 C ATOM 847 CD LYS A 56 2.180 -4.248 -6.214 1.00 0.00 C ATOM 848 CE LYS A 56 1.542 -3.673 -7.486 1.00 0.00 C ATOM 849 NZ LYS A 56 1.079 -4.741 -8.388 1.00 0.00 N ATOM 0 H LYS A 56 3.048 0.501 -5.793 1.00 0.00 H new ATOM 0 HA LYS A 56 3.420 -1.425 -3.570 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.413 -1.843 -6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.517 -2.767 -5.573 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.661 -3.633 -4.211 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.517 -2.584 -5.025 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.123 -4.733 -6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.529 -5.016 -5.795 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.701 -3.034 -7.216 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.266 -3.045 -8.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.731 -4.321 -9.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.868 -5.385 -8.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.310 -5.272 -7.931 1.00 0.00 H new ATOM 863 N LEU A 57 5.616 -0.366 -3.301 1.00 0.00 N ATOM 864 CA LEU A 57 6.946 0.194 -3.065 1.00 0.00 C ATOM 865 C LEU A 57 7.962 -0.935 -2.962 1.00 0.00 C ATOM 866 O LEU A 57 7.864 -1.781 -2.071 1.00 0.00 O ATOM 867 CB LEU A 57 6.974 1.014 -1.770 1.00 0.00 C ATOM 868 CG LEU A 57 8.267 1.802 -1.542 1.00 0.00 C ATOM 869 CD1 LEU A 57 8.051 3.279 -1.888 1.00 0.00 C ATOM 870 CD2 LEU A 57 8.638 1.692 -0.062 1.00 0.00 C ATOM 0 H LEU A 57 5.158 -0.693 -2.450 1.00 0.00 H new ATOM 0 HA LEU A 57 7.195 0.849 -3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.136 1.711 -1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.820 0.341 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 57 9.059 1.400 -2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.976 3.831 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.757 3.369 -2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.265 3.690 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.558 2.247 0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.834 2.107 0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.787 0.644 0.199 1.00 0.00 H new ATOM 882 N ASN A 58 8.943 -0.967 -3.867 1.00 0.00 N ATOM 883 CA ASN A 58 10.000 -1.960 -3.748 1.00 0.00 C ATOM 884 C ASN A 58 10.877 -1.559 -2.565 1.00 0.00 C ATOM 885 O ASN A 58 11.633 -0.596 -2.637 1.00 0.00 O ATOM 886 CB ASN A 58 10.800 -2.096 -5.040 1.00 0.00 C ATOM 887 CG ASN A 58 11.880 -3.163 -4.862 1.00 0.00 C ATOM 888 OD1 ASN A 58 12.709 -3.079 -3.961 1.00 0.00 O ATOM 889 ND2 ASN A 58 11.862 -4.201 -5.688 1.00 0.00 N ATOM 0 H ASN A 58 9.024 -0.336 -4.665 1.00 0.00 H new ATOM 0 HA ASN A 58 9.571 -2.946 -3.571 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.138 -2.367 -5.863 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.257 -1.141 -5.299 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.546 -4.950 -5.581 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.164 -4.250 -6.430 1.00 0.00 H new ATOM 896 N THR A 59 10.754 -2.311 -1.479 1.00 0.00 N ATOM 897 CA THR A 59 11.376 -2.062 -0.192 1.00 0.00 C ATOM 898 C THR A 59 12.894 -2.022 -0.303 1.00 0.00 C ATOM 899 O THR A 59 13.545 -1.163 0.282 1.00 0.00 O ATOM 900 CB THR A 59 10.920 -3.175 0.758 1.00 0.00 C ATOM 901 OG1 THR A 59 9.511 -3.128 0.869 1.00 0.00 O ATOM 902 CG2 THR A 59 11.551 -3.032 2.139 1.00 0.00 C ATOM 0 H THR A 59 10.185 -3.158 -1.476 1.00 0.00 H new ATOM 0 HA THR A 59 11.073 -1.087 0.189 1.00 0.00 H new ATOM 0 HB THR A 59 11.240 -4.133 0.349 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.108 -3.622 0.125 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.203 -3.839 2.783 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.636 -3.081 2.050 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.265 -2.073 2.572 1.00 0.00 H new ATOM 910 N ASP A 60 13.451 -2.960 -1.062 1.00 0.00 N ATOM 911 CA ASP A 60 14.885 -3.106 -1.249 1.00 0.00 C ATOM 912 C ASP A 60 15.456 -1.878 -1.972 1.00 0.00 C ATOM 913 O ASP A 60 16.553 -1.416 -1.666 1.00 0.00 O ATOM 914 CB ASP A 60 15.080 -4.415 -2.012 1.00 0.00 C ATOM 915 CG ASP A 60 16.504 -4.603 -2.512 1.00 0.00 C ATOM 916 OD1 ASP A 60 16.785 -4.096 -3.619 1.00 0.00 O ATOM 917 OD2 ASP A 60 17.272 -5.271 -1.788 1.00 0.00 O ATOM 0 H ASP A 60 12.904 -3.653 -1.574 1.00 0.00 H new ATOM 0 HA ASP A 60 15.430 -3.155 -0.306 1.00 0.00 H new ATOM 0 HB2 ASP A 60 14.815 -5.250 -1.364 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.396 -4.440 -2.860 1.00 0.00 H new ATOM 922 N GLU A 61 14.670 -1.332 -2.903 1.00 0.00 N ATOM 923 CA GLU A 61 14.982 -0.139 -3.677 1.00 0.00 C ATOM 924 C GLU A 61 14.620 1.143 -2.908 1.00 0.00 C ATOM 925 O GLU A 61 15.181 2.207 -3.167 1.00 0.00 O ATOM 926 CB GLU A 61 14.183 -0.230 -4.982 1.00 0.00 C ATOM 927 CG GLU A 61 14.618 0.793 -6.033 1.00 0.00 C ATOM 928 CD GLU A 61 13.801 0.643 -7.312 1.00 0.00 C ATOM 929 OE1 GLU A 61 12.557 0.667 -7.193 1.00 0.00 O ATOM 930 OE2 GLU A 61 14.433 0.494 -8.380 1.00 0.00 O ATOM 0 H GLU A 61 13.762 -1.729 -3.144 1.00 0.00 H new ATOM 0 HA GLU A 61 16.053 -0.089 -3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.290 -1.233 -5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 61 13.125 -0.087 -4.762 1.00 0.00 H new ATOM 0 HG2 GLU A 61 14.497 1.801 -5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 61 15.677 0.663 -6.256 1.00 0.00 H new ATOM 937 N SER A 62 13.671 1.044 -1.971 1.00 0.00 N ATOM 938 CA SER A 62 13.111 2.138 -1.183 1.00 0.00 C ATOM 939 C SER A 62 13.243 1.922 0.336 1.00 0.00 C ATOM 940 O SER A 62 12.269 2.112 1.068 1.00 0.00 O ATOM 941 CB SER A 62 11.637 2.224 -1.570 1.00 0.00 C ATOM 942 OG SER A 62 11.508 2.107 -2.968 1.00 0.00 O ATOM 0 H SER A 62 13.252 0.145 -1.732 1.00 0.00 H new ATOM 0 HA SER A 62 13.658 3.056 -1.396 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.074 1.433 -1.075 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.217 3.172 -1.234 1.00 0.00 H new ATOM 0 HG SER A 62 11.502 1.159 -3.218 1.00 0.00 H new ATOM 948 N PRO A 63 14.440 1.581 0.833 1.00 0.00 N ATOM 949 CA PRO A 63 14.712 1.345 2.237 1.00 0.00 C ATOM 950 C PRO A 63 14.599 2.651 3.008 1.00 0.00 C ATOM 951 O PRO A 63 14.334 2.642 4.202 1.00 0.00 O ATOM 952 CB PRO A 63 16.135 0.789 2.297 1.00 0.00 C ATOM 953 CG PRO A 63 16.804 1.395 1.065 1.00 0.00 C ATOM 954 CD PRO A 63 15.655 1.463 0.062 1.00 0.00 C ATOM 0 HA PRO A 63 14.004 0.648 2.685 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.643 1.083 3.216 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.142 -0.300 2.263 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.219 2.381 1.273 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.623 0.774 0.702 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.774 2.316 -0.606 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.632 0.570 -0.562 1.00 0.00 H new ATOM 962 N ASN A 64 14.811 3.774 2.319 1.00 0.00 N ATOM 963 CA ASN A 64 14.715 5.112 2.890 1.00 0.00 C ATOM 964 C ASN A 64 13.377 5.254 3.615 1.00 0.00 C ATOM 965 O ASN A 64 13.323 5.554 4.805 1.00 0.00 O ATOM 966 CB ASN A 64 14.837 6.167 1.778 1.00 0.00 C ATOM 967 CG ASN A 64 16.196 6.165 1.079 1.00 0.00 C ATOM 968 OD1 ASN A 64 17.119 5.465 1.481 1.00 0.00 O ATOM 969 ND2 ASN A 64 16.330 6.927 -0.001 1.00 0.00 N ATOM 0 H ASN A 64 15.059 3.775 1.330 1.00 0.00 H new ATOM 0 HA ASN A 64 15.526 5.266 3.602 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.057 5.994 1.037 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.658 7.154 2.204 1.00 0.00 H new ATOM 0 HD21 ASN A 64 17.213 6.937 -0.512 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.550 7.502 -0.319 1.00 0.00 H new ATOM 976 N VAL A 65 12.290 4.981 2.894 1.00 0.00 N ATOM 977 CA VAL A 65 10.944 5.085 3.426 1.00 0.00 C ATOM 978 C VAL A 65 10.779 4.127 4.603 1.00 0.00 C ATOM 979 O VAL A 65 10.423 4.535 5.705 1.00 0.00 O ATOM 980 CB VAL A 65 9.932 4.777 2.312 1.00 0.00 C ATOM 981 CG1 VAL A 65 8.505 4.977 2.818 1.00 0.00 C ATOM 982 CG2 VAL A 65 10.149 5.687 1.102 1.00 0.00 C ATOM 0 H VAL A 65 12.325 4.680 1.920 1.00 0.00 H new ATOM 0 HA VAL A 65 10.763 6.097 3.787 1.00 0.00 H new ATOM 0 HB VAL A 65 10.082 3.739 2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.800 4.755 2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.320 4.309 3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.374 6.010 3.140 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.418 5.446 0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.029 6.728 1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.155 5.537 0.709 1.00 0.00 H new ATOM 992 N ALA A 66 11.027 2.844 4.348 1.00 0.00 N ATOM 993 CA ALA A 66 10.872 1.784 5.337 1.00 0.00 C ATOM 994 C ALA A 66 11.625 2.091 6.637 1.00 0.00 C ATOM 995 O ALA A 66 11.076 1.912 7.720 1.00 0.00 O ATOM 996 CB ALA A 66 11.339 0.459 4.736 1.00 0.00 C ATOM 0 H ALA A 66 11.345 2.509 3.438 1.00 0.00 H new ATOM 0 HA ALA A 66 9.816 1.714 5.599 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.224 -0.335 5.473 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.739 0.227 3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.388 0.539 4.449 1.00 0.00 H new ATOM 1002 N SER A 67 12.873 2.556 6.539 1.00 0.00 N ATOM 1003 CA SER A 67 13.690 2.886 7.699 1.00 0.00 C ATOM 1004 C SER A 67 13.084 4.073 8.441 1.00 0.00 C ATOM 1005 O SER A 67 12.896 4.002 9.652 1.00 0.00 O ATOM 1006 CB SER A 67 15.146 3.136 7.289 1.00 0.00 C ATOM 1007 OG SER A 67 15.258 4.147 6.309 1.00 0.00 O ATOM 0 H SER A 67 13.343 2.713 5.647 1.00 0.00 H new ATOM 0 HA SER A 67 13.700 2.038 8.384 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.726 3.418 8.168 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.578 2.211 6.906 1.00 0.00 H new ATOM 0 HG SER A 67 14.995 3.787 5.436 1.00 0.00 H new ATOM 1013 N GLU A 68 12.743 5.143 7.718 1.00 0.00 N ATOM 1014 CA GLU A 68 12.093 6.312 8.304 1.00 0.00 C ATOM 1015 C GLU A 68 10.803 5.906 9.029 1.00 0.00 C ATOM 1016 O GLU A 68 10.494 6.438 10.092 1.00 0.00 O ATOM 1017 CB GLU A 68 11.794 7.344 7.209 1.00 0.00 C ATOM 1018 CG GLU A 68 13.064 8.073 6.746 1.00 0.00 C ATOM 1019 CD GLU A 68 13.599 9.028 7.810 1.00 0.00 C ATOM 1020 OE1 GLU A 68 12.936 10.066 8.021 1.00 0.00 O ATOM 1021 OE2 GLU A 68 14.657 8.704 8.391 1.00 0.00 O ATOM 0 H GLU A 68 12.910 5.221 6.715 1.00 0.00 H new ATOM 0 HA GLU A 68 12.766 6.759 9.036 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.331 6.846 6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.074 8.072 7.583 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.832 7.340 6.498 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.849 8.630 5.834 1.00 0.00 H new ATOM 1028 N TYR A 69 10.061 4.952 8.462 1.00 0.00 N ATOM 1029 CA TYR A 69 8.827 4.445 9.050 1.00 0.00 C ATOM 1030 C TYR A 69 9.119 3.452 10.180 1.00 0.00 C ATOM 1031 O TYR A 69 8.275 3.250 11.050 1.00 0.00 O ATOM 1032 CB TYR A 69 7.970 3.795 7.953 1.00 0.00 C ATOM 1033 CG TYR A 69 6.866 4.710 7.463 1.00 0.00 C ATOM 1034 CD1 TYR A 69 5.756 4.957 8.293 1.00 0.00 C ATOM 1035 CD2 TYR A 69 7.048 5.475 6.298 1.00 0.00 C ATOM 1036 CE1 TYR A 69 4.831 5.960 7.955 1.00 0.00 C ATOM 1037 CE2 TYR A 69 6.098 6.444 5.934 1.00 0.00 C ATOM 1038 CZ TYR A 69 4.997 6.693 6.769 1.00 0.00 C ATOM 1039 OH TYR A 69 4.117 7.682 6.448 1.00 0.00 O ATOM 0 H TYR A 69 10.304 4.509 7.576 1.00 0.00 H new ATOM 0 HA TYR A 69 8.276 5.277 9.487 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.608 3.518 7.114 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.531 2.874 8.337 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.615 4.375 9.191 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.920 5.318 5.681 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.994 6.166 8.606 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.214 6.996 5.013 1.00 0.00 H new ATOM 0 HH TYR A 69 3.454 7.337 5.815 1.00 0.00 H new ATOM 1049 N GLY A 70 10.296 2.827 10.171 1.00 0.00 N ATOM 1050 CA GLY A 70 10.737 1.902 11.200 1.00 0.00 C ATOM 1051 C GLY A 70 10.150 0.511 10.994 1.00 0.00 C ATOM 1052 O GLY A 70 9.770 -0.147 11.961 1.00 0.00 O ATOM 0 H GLY A 70 10.982 2.957 9.427 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.825 1.843 11.194 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.444 2.280 12.179 1.00 0.00 H new ATOM 1056 N ILE A 71 10.083 0.057 9.740 1.00 0.00 N ATOM 1057 CA ILE A 71 9.586 -1.250 9.367 1.00 0.00 C ATOM 1058 C ILE A 71 10.662 -1.984 8.563 1.00 0.00 C ATOM 1059 O ILE A 71 11.663 -1.388 8.162 1.00 0.00 O ATOM 1060 CB ILE A 71 8.287 -1.081 8.568 1.00 0.00 C ATOM 1061 CG1 ILE A 71 8.474 -0.115 7.389 1.00 0.00 C ATOM 1062 CG2 ILE A 71 7.169 -0.594 9.503 1.00 0.00 C ATOM 1063 CD1 ILE A 71 7.342 -0.223 6.368 1.00 0.00 C ATOM 0 H ILE A 71 10.384 0.613 8.940 1.00 0.00 H new ATOM 0 HA ILE A 71 9.362 -1.848 10.250 1.00 0.00 H new ATOM 0 HB ILE A 71 8.008 -2.048 8.150 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.526 0.907 7.764 1.00 0.00 H new ATOM 0 HG13 ILE A 71 9.425 -0.323 6.898 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.246 -0.474 8.935 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.014 -1.325 10.297 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.452 0.363 9.941 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.519 0.479 5.553 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.306 -1.238 5.971 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.393 0.012 6.850 1.00 0.00 H new ATOM 1075 N ARG A 72 10.449 -3.281 8.328 1.00 0.00 N ATOM 1076 CA ARG A 72 11.373 -4.136 7.597 1.00 0.00 C ATOM 1077 C ARG A 72 10.604 -5.293 6.971 1.00 0.00 C ATOM 1078 O ARG A 72 10.656 -5.492 5.760 1.00 0.00 O ATOM 1079 CB ARG A 72 12.463 -4.639 8.558 1.00 0.00 C ATOM 1080 CG ARG A 72 13.364 -5.700 7.908 1.00 0.00 C ATOM 1081 CD ARG A 72 14.545 -6.058 8.818 1.00 0.00 C ATOM 1082 NE ARG A 72 15.441 -4.910 9.008 1.00 0.00 N ATOM 1083 CZ ARG A 72 16.529 -4.911 9.791 1.00 0.00 C ATOM 1084 NH1 ARG A 72 16.880 -6.016 10.458 1.00 0.00 N ATOM 1085 NH2 ARG A 72 17.263 -3.800 9.899 1.00 0.00 N ATOM 0 H ARG A 72 9.613 -3.770 8.648 1.00 0.00 H new ATOM 0 HA ARG A 72 11.855 -3.577 6.795 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.073 -3.797 8.885 1.00 0.00 H new ATOM 0 HB3 ARG A 72 11.995 -5.058 9.449 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.780 -6.596 7.696 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.737 -5.329 6.953 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.172 -6.395 9.785 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.102 -6.889 8.384 1.00 0.00 H new ATOM 0 HE ARG A 72 15.219 -4.049 8.508 1.00 0.00 H new ATOM 0 HH11 ARG A 72 16.319 -6.863 10.372 1.00 0.00 H new ATOM 0 HH12 ARG A 72 17.709 -6.011 11.052 1.00 0.00 H new ATOM 0 HH21 ARG A 72 16.994 -2.959 9.388 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.092 -3.792 10.493 1.00 0.00 H new ATOM 1099 N SER A 73 9.921 -6.079 7.805 1.00 0.00 N ATOM 1100 CA SER A 73 9.140 -7.207 7.342 1.00 0.00 C ATOM 1101 C SER A 73 8.078 -6.726 6.353 1.00 0.00 C ATOM 1102 O SER A 73 7.565 -5.612 6.478 1.00 0.00 O ATOM 1103 CB SER A 73 8.504 -7.890 8.551 1.00 0.00 C ATOM 1104 OG SER A 73 9.339 -7.734 9.687 1.00 0.00 O ATOM 0 H SER A 73 9.899 -5.945 8.816 1.00 0.00 H new ATOM 0 HA SER A 73 9.776 -7.926 6.825 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.522 -7.460 8.748 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.352 -8.949 8.343 1.00 0.00 H new ATOM 0 HG SER A 73 8.925 -8.172 10.460 1.00 0.00 H new ATOM 1110 N ILE A 74 7.748 -7.576 5.385 1.00 0.00 N ATOM 1111 CA ILE A 74 6.798 -7.283 4.327 1.00 0.00 C ATOM 1112 C ILE A 74 6.017 -8.566 4.029 1.00 0.00 C ATOM 1113 O ILE A 74 6.537 -9.649 4.303 1.00 0.00 O ATOM 1114 CB ILE A 74 7.541 -6.743 3.087 1.00 0.00 C ATOM 1115 CG1 ILE A 74 8.800 -7.554 2.745 1.00 0.00 C ATOM 1116 CG2 ILE A 74 7.905 -5.268 3.316 1.00 0.00 C ATOM 1117 CD1 ILE A 74 9.304 -7.201 1.343 1.00 0.00 C ATOM 0 H ILE A 74 8.147 -8.512 5.317 1.00 0.00 H new ATOM 0 HA ILE A 74 6.094 -6.508 4.630 1.00 0.00 H new ATOM 0 HB ILE A 74 6.869 -6.839 2.234 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.580 -7.352 3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.579 -8.620 2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.430 -4.883 2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.995 -4.689 3.477 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.548 -5.184 4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.196 -7.786 1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.529 -7.427 0.610 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.546 -6.139 1.300 1.00 0.00 H new ATOM 1129 N PRO A 75 4.790 -8.498 3.483 1.00 0.00 N ATOM 1130 CA PRO A 75 4.078 -7.294 3.088 1.00 0.00 C ATOM 1131 C PRO A 75 3.641 -6.461 4.286 1.00 0.00 C ATOM 1132 O PRO A 75 3.282 -6.990 5.339 1.00 0.00 O ATOM 1133 CB PRO A 75 2.863 -7.751 2.281 1.00 0.00 C ATOM 1134 CG PRO A 75 2.614 -9.173 2.778 1.00 0.00 C ATOM 1135 CD PRO A 75 4.000 -9.675 3.185 1.00 0.00 C ATOM 0 HA PRO A 75 4.734 -6.651 2.501 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.000 -7.108 2.457 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.063 -7.730 1.210 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.923 -9.185 3.621 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.177 -9.797 1.998 1.00 0.00 H new ATOM 0 HD2 PRO A 75 3.936 -10.330 4.054 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.455 -10.255 2.382 1.00 0.00 H new ATOM 1143 N THR A 76 3.735 -5.151 4.087 1.00 0.00 N ATOM 1144 CA THR A 76 3.349 -4.126 5.032 1.00 0.00 C ATOM 1145 C THR A 76 2.619 -3.083 4.195 1.00 0.00 C ATOM 1146 O THR A 76 3.232 -2.344 3.425 1.00 0.00 O ATOM 1147 CB THR A 76 4.574 -3.592 5.794 1.00 0.00 C ATOM 1148 OG1 THR A 76 5.006 -4.589 6.699 1.00 0.00 O ATOM 1149 CG2 THR A 76 4.233 -2.338 6.604 1.00 0.00 C ATOM 0 H THR A 76 4.101 -4.763 3.218 1.00 0.00 H new ATOM 0 HA THR A 76 2.694 -4.488 5.825 1.00 0.00 H new ATOM 0 HB THR A 76 5.345 -3.340 5.066 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.922 -4.857 6.478 1.00 0.00 H new ATOM 0 HG21 THR A 76 5.123 -1.990 7.128 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.879 -1.556 5.932 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.454 -2.574 7.329 1.00 0.00 H new ATOM 1157 N ILE A 77 1.293 -3.101 4.280 1.00 0.00 N ATOM 1158 CA ILE A 77 0.414 -2.189 3.585 1.00 0.00 C ATOM 1159 C ILE A 77 0.313 -0.942 4.456 1.00 0.00 C ATOM 1160 O ILE A 77 0.147 -1.068 5.665 1.00 0.00 O ATOM 1161 CB ILE A 77 -0.962 -2.853 3.373 1.00 0.00 C ATOM 1162 CG1 ILE A 77 -0.956 -3.814 2.169 1.00 0.00 C ATOM 1163 CG2 ILE A 77 -2.049 -1.793 3.141 1.00 0.00 C ATOM 1164 CD1 ILE A 77 -0.101 -5.066 2.384 1.00 0.00 C ATOM 0 H ILE A 77 0.791 -3.777 4.856 1.00 0.00 H new ATOM 0 HA ILE A 77 0.792 -1.926 2.597 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.177 -3.419 4.279 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.980 -4.117 1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.589 -3.281 1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.011 -2.284 2.994 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.106 -1.135 4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.802 -1.206 2.256 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.146 -5.694 1.494 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.932 -4.773 2.570 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.480 -5.623 3.241 1.00 0.00 H new ATOM 1176 N MET A 78 0.419 0.249 3.870 1.00 0.00 N ATOM 1177 CA MET A 78 0.245 1.526 4.540 1.00 0.00 C ATOM 1178 C MET A 78 -0.756 2.323 3.725 1.00 0.00 C ATOM 1179 O MET A 78 -0.564 2.519 2.524 1.00 0.00 O ATOM 1180 CB MET A 78 1.567 2.282 4.647 1.00 0.00 C ATOM 1181 CG MET A 78 2.486 1.592 5.653 1.00 0.00 C ATOM 1182 SD MET A 78 3.974 2.511 6.116 1.00 0.00 S ATOM 1183 CE MET A 78 4.331 1.674 7.676 1.00 0.00 C ATOM 0 H MET A 78 0.637 0.349 2.879 1.00 0.00 H new ATOM 0 HA MET A 78 -0.112 1.371 5.558 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.050 2.325 3.671 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.383 3.311 4.957 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.914 1.384 6.557 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.789 0.630 5.240 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.349 1.907 7.989 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.630 2.012 8.439 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.230 0.597 7.543 1.00 0.00 H new ATOM 1193 N VAL A 79 -1.836 2.748 4.372 1.00 0.00 N ATOM 1194 CA VAL A 79 -2.858 3.546 3.727 1.00 0.00 C ATOM 1195 C VAL A 79 -2.577 5.009 4.016 1.00 0.00 C ATOM 1196 O VAL A 79 -2.211 5.352 5.136 1.00 0.00 O ATOM 1197 CB VAL A 79 -4.255 3.170 4.240 1.00 0.00 C ATOM 1198 CG1 VAL A 79 -5.291 4.167 3.696 1.00 0.00 C ATOM 1199 CG2 VAL A 79 -4.625 1.748 3.800 1.00 0.00 C ATOM 0 H VAL A 79 -2.022 2.547 5.355 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.837 3.360 2.653 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.249 3.208 5.329 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.282 3.898 4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.040 5.173 4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.286 4.138 2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.618 1.499 4.173 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.621 1.691 2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.899 1.042 4.203 1.00 0.00 H new ATOM 1209 N PHE A 80 -2.801 5.863 3.022 1.00 0.00 N ATOM 1210 CA PHE A 80 -2.688 7.301 3.114 1.00 0.00 C ATOM 1211 C PHE A 80 -3.989 7.905 2.613 1.00 0.00 C ATOM 1212 O PHE A 80 -4.723 7.269 1.852 1.00 0.00 O ATOM 1213 CB PHE A 80 -1.514 7.809 2.288 1.00 0.00 C ATOM 1214 CG PHE A 80 -0.161 7.269 2.712 1.00 0.00 C ATOM 1215 CD1 PHE A 80 0.201 5.944 2.403 1.00 0.00 C ATOM 1216 CD2 PHE A 80 0.729 8.083 3.438 1.00 0.00 C ATOM 1217 CE1 PHE A 80 1.406 5.411 2.888 1.00 0.00 C ATOM 1218 CE2 PHE A 80 1.937 7.550 3.916 1.00 0.00 C ATOM 1219 CZ PHE A 80 2.256 6.202 3.679 1.00 0.00 C ATOM 0 H PHE A 80 -3.078 5.550 2.092 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.507 7.593 4.149 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.683 7.549 1.243 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.490 8.897 2.346 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.450 5.336 1.792 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.483 9.117 3.627 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.679 4.393 2.653 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.622 8.177 4.467 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.152 5.775 4.104 1.00 0.00 H new ATOM 1229 N LYS A 81 -4.237 9.145 3.035 1.00 0.00 N ATOM 1230 CA LYS A 81 -5.475 9.869 2.760 1.00 0.00 C ATOM 1231 C LYS A 81 -5.203 11.364 2.600 1.00 0.00 C ATOM 1232 O LYS A 81 -5.950 12.198 3.106 1.00 0.00 O ATOM 1233 CB LYS A 81 -6.505 9.537 3.858 1.00 0.00 C ATOM 1234 CG LYS A 81 -6.309 10.175 5.247 1.00 0.00 C ATOM 1235 CD LYS A 81 -4.856 10.188 5.739 1.00 0.00 C ATOM 1236 CE LYS A 81 -4.765 10.590 7.215 1.00 0.00 C ATOM 1237 NZ LYS A 81 -5.223 11.974 7.431 1.00 0.00 N ATOM 0 H LYS A 81 -3.570 9.683 3.588 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.902 9.550 1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.490 9.828 3.492 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.520 8.455 3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.679 11.200 5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.920 9.636 5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.416 9.200 5.602 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.273 10.883 5.135 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.368 9.909 7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.735 10.490 7.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.115 12.223 8.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.654 12.623 6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.224 12.055 7.160 1.00 0.00 H new ATOM 1251 N GLY A 82 -4.125 11.697 1.885 1.00 0.00 N ATOM 1252 CA GLY A 82 -3.725 13.075 1.663 1.00 0.00 C ATOM 1253 C GLY A 82 -2.580 13.438 2.599 1.00 0.00 C ATOM 1254 O GLY A 82 -2.806 13.768 3.763 1.00 0.00 O ATOM 0 H GLY A 82 -3.509 11.012 1.446 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.416 13.211 0.627 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.571 13.741 1.834 1.00 0.00 H new ATOM 1258 N GLY A 83 -1.342 13.364 2.105 1.00 0.00 N ATOM 1259 CA GLY A 83 -0.154 13.703 2.869 1.00 0.00 C ATOM 1260 C GLY A 83 0.153 12.669 3.946 1.00 0.00 C ATOM 1261 O GLY A 83 1.099 11.896 3.827 1.00 0.00 O ATOM 0 H GLY A 83 -1.141 13.063 1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.698 13.786 2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.289 14.680 3.334 1.00 0.00 H new ATOM 1265 N LYS A 84 -0.645 12.666 5.008 1.00 0.00 N ATOM 1266 CA LYS A 84 -0.440 11.803 6.157 1.00 0.00 C ATOM 1267 C LYS A 84 -0.949 10.381 5.900 1.00 0.00 C ATOM 1268 O LYS A 84 -1.764 10.122 5.007 1.00 0.00 O ATOM 1269 CB LYS A 84 -1.137 12.409 7.382 1.00 0.00 C ATOM 1270 CG LYS A 84 -0.714 13.855 7.686 1.00 0.00 C ATOM 1271 CD LYS A 84 0.788 13.974 7.980 1.00 0.00 C ATOM 1272 CE LYS A 84 1.129 15.395 8.442 1.00 0.00 C ATOM 1273 NZ LYS A 84 2.569 15.538 8.716 1.00 0.00 N ATOM 0 H LYS A 84 -1.461 13.272 5.093 1.00 0.00 H new ATOM 0 HA LYS A 84 0.632 11.732 6.343 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.215 12.381 7.225 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.926 11.788 8.253 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.967 14.491 6.838 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.280 14.224 8.541 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.073 13.256 8.749 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.361 13.728 7.086 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.830 16.110 7.676 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.560 15.634 9.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.768 16.510 9.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.848 14.871 9.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.109 15.333 7.851 1.00 0.00 H new ATOM 1287 N LYS A 85 -0.436 9.464 6.723 1.00 0.00 N ATOM 1288 CA LYS A 85 -0.801 8.060 6.733 1.00 0.00 C ATOM 1289 C LYS A 85 -2.049 7.915 7.606 1.00 0.00 C ATOM 1290 O LYS A 85 -2.194 8.622 8.601 1.00 0.00 O ATOM 1291 CB LYS A 85 0.363 7.226 7.294 1.00 0.00 C ATOM 1292 CG LYS A 85 0.154 5.724 7.040 1.00 0.00 C ATOM 1293 CD LYS A 85 1.231 4.832 7.669 1.00 0.00 C ATOM 1294 CE LYS A 85 1.212 4.900 9.201 1.00 0.00 C ATOM 1295 NZ LYS A 85 2.116 3.901 9.795 1.00 0.00 N ATOM 0 H LYS A 85 0.269 9.695 7.423 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.010 7.701 5.725 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.297 7.547 6.834 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.457 7.405 8.365 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.820 5.431 7.431 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.132 5.547 5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.079 3.801 7.350 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.212 5.137 7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.506 5.898 9.526 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.197 4.734 9.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.080 3.973 10.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.819 2.948 9.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.088 4.076 9.470 1.00 0.00 H new ATOM 1309 N CYS A 86 -2.952 7.017 7.221 1.00 0.00 N ATOM 1310 CA CYS A 86 -4.154 6.693 7.969 1.00 0.00 C ATOM 1311 C CYS A 86 -3.817 5.580 8.959 1.00 0.00 C ATOM 1312 O CYS A 86 -3.743 5.815 10.162 1.00 0.00 O ATOM 1313 CB CYS A 86 -5.255 6.254 7.000 1.00 0.00 C ATOM 1314 SG CYS A 86 -6.702 5.727 7.943 1.00 0.00 S ATOM 0 H CYS A 86 -2.861 6.483 6.357 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.515 7.563 8.518 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -5.519 7.076 6.335 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.899 5.438 6.372 1.00 0.00 H new ATOM 0 HG CYS A 86 -7.641 5.355 7.125 1.00 0.00 H new ATOM 1320 N GLU A 87 -3.579 4.374 8.434 1.00 0.00 N ATOM 1321 CA GLU A 87 -3.261 3.169 9.188 1.00 0.00 C ATOM 1322 C GLU A 87 -2.382 2.250 8.327 1.00 0.00 C ATOM 1323 O GLU A 87 -1.998 2.620 7.216 1.00 0.00 O ATOM 1324 CB GLU A 87 -4.568 2.464 9.590 1.00 0.00 C ATOM 1325 CG GLU A 87 -5.416 3.208 10.633 1.00 0.00 C ATOM 1326 CD GLU A 87 -4.722 3.366 11.985 1.00 0.00 C ATOM 1327 OE1 GLU A 87 -3.774 2.590 12.241 1.00 0.00 O ATOM 1328 OE2 GLU A 87 -5.174 4.242 12.754 1.00 0.00 O ATOM 0 H GLU A 87 -3.605 4.210 7.428 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.711 3.423 10.094 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.171 2.313 8.695 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.324 1.476 9.981 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.669 4.195 10.246 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.354 2.672 10.776 1.00 0.00 H new ATOM 1335 N THR A 88 -2.072 1.049 8.830 1.00 0.00 N ATOM 1336 CA THR A 88 -1.219 0.065 8.175 1.00 0.00 C ATOM 1337 C THR A 88 -1.747 -1.347 8.457 1.00 0.00 C ATOM 1338 O THR A 88 -2.565 -1.517 9.360 1.00 0.00 O ATOM 1339 CB THR A 88 0.226 0.274 8.678 1.00 0.00 C ATOM 1340 OG1 THR A 88 1.124 -0.676 8.143 1.00 0.00 O ATOM 1341 CG2 THR A 88 0.334 0.180 10.205 1.00 0.00 C ATOM 0 H THR A 88 -2.422 0.731 9.734 1.00 0.00 H new ATOM 0 HA THR A 88 -1.226 0.190 7.092 1.00 0.00 H new ATOM 0 HB THR A 88 0.491 1.277 8.342 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.979 -0.756 7.177 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.370 0.334 10.507 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.295 0.944 10.662 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.003 -0.805 10.533 1.00 0.00 H new ATOM 1349 N ILE A 89 -1.332 -2.345 7.673 1.00 0.00 N ATOM 1350 CA ILE A 89 -1.675 -3.754 7.838 1.00 0.00 C ATOM 1351 C ILE A 89 -0.382 -4.513 7.549 1.00 0.00 C ATOM 1352 O ILE A 89 0.348 -4.106 6.648 1.00 0.00 O ATOM 1353 CB ILE A 89 -2.790 -4.201 6.863 1.00 0.00 C ATOM 1354 CG1 ILE A 89 -3.925 -3.167 6.752 1.00 0.00 C ATOM 1355 CG2 ILE A 89 -3.346 -5.557 7.328 1.00 0.00 C ATOM 1356 CD1 ILE A 89 -4.988 -3.555 5.718 1.00 0.00 C ATOM 0 H ILE A 89 -0.721 -2.183 6.872 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.062 -3.946 8.838 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.353 -4.292 5.869 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.399 -3.050 7.726 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.502 -2.199 6.485 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.133 -5.881 6.647 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.545 -6.296 7.334 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.755 -5.457 8.333 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.761 -2.788 5.686 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.524 -3.645 4.736 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.435 -4.509 5.997 1.00 0.00 H new ATOM 1368 N ILE A 90 -0.075 -5.579 8.291 1.00 0.00 N ATOM 1369 CA ILE A 90 1.137 -6.367 8.098 1.00 0.00 C ATOM 1370 C ILE A 90 0.717 -7.810 7.828 1.00 0.00 C ATOM 1371 O ILE A 90 -0.199 -8.312 8.478 1.00 0.00 O ATOM 1372 CB ILE A 90 2.050 -6.245 9.336 1.00 0.00 C ATOM 1373 CG1 ILE A 90 2.419 -4.765 9.563 1.00 0.00 C ATOM 1374 CG2 ILE A 90 3.325 -7.083 9.142 1.00 0.00 C ATOM 1375 CD1 ILE A 90 3.319 -4.533 10.780 1.00 0.00 C ATOM 0 H ILE A 90 -0.668 -5.920 9.048 1.00 0.00 H new ATOM 0 HA ILE A 90 1.714 -6.002 7.248 1.00 0.00 H new ATOM 0 HB ILE A 90 1.517 -6.620 10.210 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.921 -4.385 8.673 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.503 -4.186 9.684 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.960 -6.988 10.023 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.055 -8.129 9.001 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.865 -6.726 8.265 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.536 -3.469 10.875 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.812 -4.882 11.680 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.251 -5.083 10.653 1.00 0.00 H new ATOM 1387 N GLY A 91 1.386 -8.467 6.877 1.00 0.00 N ATOM 1388 CA GLY A 91 1.121 -9.851 6.524 1.00 0.00 C ATOM 1389 C GLY A 91 0.029 -9.975 5.461 1.00 0.00 C ATOM 1390 O GLY A 91 -0.833 -9.109 5.310 1.00 0.00 O ATOM 0 H GLY A 91 2.134 -8.042 6.329 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.038 -10.313 6.157 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.822 -10.401 7.416 1.00 0.00 H new ATOM 1394 N ALA A 92 0.083 -11.068 4.696 1.00 0.00 N ATOM 1395 CA ALA A 92 -0.874 -11.349 3.640 1.00 0.00 C ATOM 1396 C ALA A 92 -2.179 -11.854 4.257 1.00 0.00 C ATOM 1397 O ALA A 92 -2.452 -13.053 4.248 1.00 0.00 O ATOM 1398 CB ALA A 92 -0.268 -12.375 2.677 1.00 0.00 C ATOM 0 H ALA A 92 0.801 -11.785 4.799 1.00 0.00 H new ATOM 0 HA ALA A 92 -1.100 -10.444 3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.980 -12.592 1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.648 -11.972 2.245 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.040 -13.293 3.219 1.00 0.00 H new ATOM 1404 N VAL A 93 -2.991 -10.940 4.792 1.00 0.00 N ATOM 1405 CA VAL A 93 -4.267 -11.309 5.397 1.00 0.00 C ATOM 1406 C VAL A 93 -5.285 -11.551 4.268 1.00 0.00 C ATOM 1407 O VAL A 93 -5.131 -10.975 3.192 1.00 0.00 O ATOM 1408 CB VAL A 93 -4.742 -10.210 6.368 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -3.701 -9.950 7.465 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -5.092 -8.893 5.661 1.00 0.00 C ATOM 0 H VAL A 93 -2.786 -9.941 4.817 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.159 -12.222 5.982 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.658 -10.590 6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.065 -9.170 8.134 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.534 -10.866 8.032 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.764 -9.629 7.009 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.419 -8.160 6.398 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.213 -8.515 5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.893 -9.067 4.943 1.00 0.00 H new ATOM 1420 N PRO A 94 -6.310 -12.402 4.462 1.00 0.00 N ATOM 1421 CA PRO A 94 -7.285 -12.707 3.422 1.00 0.00 C ATOM 1422 C PRO A 94 -7.960 -11.473 2.821 1.00 0.00 C ATOM 1423 O PRO A 94 -8.142 -10.461 3.490 1.00 0.00 O ATOM 1424 CB PRO A 94 -8.337 -13.597 4.081 1.00 0.00 C ATOM 1425 CG PRO A 94 -7.560 -14.287 5.200 1.00 0.00 C ATOM 1426 CD PRO A 94 -6.559 -13.218 5.642 1.00 0.00 C ATOM 0 HA PRO A 94 -6.773 -13.188 2.588 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -9.171 -13.013 4.471 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.753 -14.317 3.377 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.214 -14.588 6.018 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.058 -15.187 4.846 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.962 -12.616 6.456 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.637 -13.671 6.007 1.00 0.00 H new ATOM 1434 N LYS A 95 -8.401 -11.606 1.568 1.00 0.00 N ATOM 1435 CA LYS A 95 -9.095 -10.590 0.785 1.00 0.00 C ATOM 1436 C LYS A 95 -10.205 -9.937 1.611 1.00 0.00 C ATOM 1437 O LYS A 95 -10.299 -8.714 1.699 1.00 0.00 O ATOM 1438 CB LYS A 95 -9.672 -11.284 -0.463 1.00 0.00 C ATOM 1439 CG LYS A 95 -10.410 -10.347 -1.430 1.00 0.00 C ATOM 1440 CD LYS A 95 -11.206 -11.128 -2.486 1.00 0.00 C ATOM 1441 CE LYS A 95 -10.325 -12.050 -3.339 1.00 0.00 C ATOM 1442 NZ LYS A 95 -11.098 -12.684 -4.421 1.00 0.00 N ATOM 0 H LYS A 95 -8.275 -12.474 1.047 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.408 -9.797 0.492 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.859 -11.772 -1.000 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.358 -12.068 -0.142 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.087 -9.704 -0.867 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -9.690 -9.696 -1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -11.972 -11.724 -1.989 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.723 -10.424 -3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -9.502 -11.476 -3.766 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.883 -12.820 -2.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -10.473 -13.301 -4.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.868 -13.251 -4.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -11.499 -11.949 -5.038 1.00 0.00 H new ATOM 1456 N ALA A 96 -11.047 -10.772 2.226 1.00 0.00 N ATOM 1457 CA ALA A 96 -12.142 -10.314 3.069 1.00 0.00 C ATOM 1458 C ALA A 96 -11.605 -9.398 4.169 1.00 0.00 C ATOM 1459 O ALA A 96 -12.143 -8.317 4.402 1.00 0.00 O ATOM 1460 CB ALA A 96 -12.861 -11.525 3.671 1.00 0.00 C ATOM 0 H ALA A 96 -10.984 -11.787 2.150 1.00 0.00 H new ATOM 0 HA ALA A 96 -12.854 -9.746 2.470 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -13.681 -11.184 4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.256 -12.149 2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -12.159 -12.104 4.270 1.00 0.00 H new ATOM 1466 N THR A 97 -10.532 -9.826 4.836 1.00 0.00 N ATOM 1467 CA THR A 97 -9.894 -9.065 5.890 1.00 0.00 C ATOM 1468 C THR A 97 -9.356 -7.752 5.320 1.00 0.00 C ATOM 1469 O THR A 97 -9.580 -6.708 5.925 1.00 0.00 O ATOM 1470 CB THR A 97 -8.792 -9.919 6.532 1.00 0.00 C ATOM 1471 OG1 THR A 97 -9.264 -11.245 6.683 1.00 0.00 O ATOM 1472 CG2 THR A 97 -8.393 -9.368 7.904 1.00 0.00 C ATOM 0 H THR A 97 -10.083 -10.723 4.651 1.00 0.00 H new ATOM 0 HA THR A 97 -10.612 -8.810 6.669 1.00 0.00 H new ATOM 0 HB THR A 97 -7.916 -9.896 5.884 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.724 -11.710 7.356 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.611 -9.994 8.334 1.00 0.00 H new ATOM 0 HG22 THR A 97 -8.023 -8.349 7.793 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.261 -9.369 8.563 1.00 0.00 H new ATOM 1480 N ILE A 98 -8.669 -7.786 4.169 1.00 0.00 N ATOM 1481 CA ILE A 98 -8.149 -6.578 3.530 1.00 0.00 C ATOM 1482 C ILE A 98 -9.306 -5.598 3.332 1.00 0.00 C ATOM 1483 O ILE A 98 -9.232 -4.467 3.806 1.00 0.00 O ATOM 1484 CB ILE A 98 -7.437 -6.894 2.193 1.00 0.00 C ATOM 1485 CG1 ILE A 98 -6.189 -7.755 2.443 1.00 0.00 C ATOM 1486 CG2 ILE A 98 -7.021 -5.582 1.501 1.00 0.00 C ATOM 1487 CD1 ILE A 98 -5.419 -8.118 1.170 1.00 0.00 C ATOM 0 H ILE A 98 -8.462 -8.646 3.662 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.394 -6.127 4.174 1.00 0.00 H new ATOM 0 HB ILE A 98 -8.127 -7.444 1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.521 -7.222 3.120 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -6.489 -8.673 2.949 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -6.520 -5.810 0.560 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.907 -4.978 1.304 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.341 -5.028 2.149 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -4.552 -8.726 1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.069 -8.680 0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -5.087 -7.206 0.673 1.00 0.00 H new ATOM 1499 N VAL A 99 -10.374 -6.030 2.653 1.00 0.00 N ATOM 1500 CA VAL A 99 -11.550 -5.205 2.405 1.00 0.00 C ATOM 1501 C VAL A 99 -12.064 -4.616 3.720 1.00 0.00 C ATOM 1502 O VAL A 99 -12.140 -3.399 3.874 1.00 0.00 O ATOM 1503 CB VAL A 99 -12.636 -6.048 1.708 1.00 0.00 C ATOM 1504 CG1 VAL A 99 -14.009 -5.364 1.759 1.00 0.00 C ATOM 1505 CG2 VAL A 99 -12.255 -6.296 0.243 1.00 0.00 C ATOM 0 H VAL A 99 -10.442 -6.969 2.260 1.00 0.00 H new ATOM 0 HA VAL A 99 -11.284 -4.377 1.748 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.703 -6.995 2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.746 -5.990 1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -14.304 -5.218 2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -13.953 -4.397 1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -13.030 -6.892 -0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -12.158 -5.341 -0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -11.306 -6.831 0.199 1.00 0.00 H new ATOM 1515 N GLN A 100 -12.414 -5.486 4.669 1.00 0.00 N ATOM 1516 CA GLN A 100 -12.963 -5.090 5.956 1.00 0.00 C ATOM 1517 C GLN A 100 -12.097 -4.003 6.591 1.00 0.00 C ATOM 1518 O GLN A 100 -12.586 -2.941 6.970 1.00 0.00 O ATOM 1519 CB GLN A 100 -13.051 -6.344 6.835 1.00 0.00 C ATOM 1520 CG GLN A 100 -13.936 -6.157 8.074 1.00 0.00 C ATOM 1521 CD GLN A 100 -13.232 -5.431 9.217 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -13.727 -4.438 9.734 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -12.072 -5.931 9.635 1.00 0.00 N ATOM 0 H GLN A 100 -12.321 -6.496 4.559 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.960 -4.665 5.840 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -13.441 -7.170 6.240 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -12.048 -6.627 7.153 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -14.828 -5.598 7.793 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.269 -7.134 8.424 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.682 -6.760 9.186 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.572 -5.485 10.405 1.00 0.00 H new ATOM 1532 N THR A 101 -10.799 -4.280 6.675 1.00 0.00 N ATOM 1533 CA THR A 101 -9.823 -3.381 7.270 1.00 0.00 C ATOM 1534 C THR A 101 -9.755 -2.048 6.505 1.00 0.00 C ATOM 1535 O THR A 101 -9.746 -0.989 7.130 1.00 0.00 O ATOM 1536 CB THR A 101 -8.468 -4.096 7.351 1.00 0.00 C ATOM 1537 OG1 THR A 101 -8.620 -5.317 8.045 1.00 0.00 O ATOM 1538 CG2 THR A 101 -7.455 -3.258 8.123 1.00 0.00 C ATOM 0 H THR A 101 -10.393 -5.148 6.326 1.00 0.00 H new ATOM 0 HA THR A 101 -10.127 -3.122 8.284 1.00 0.00 H new ATOM 0 HB THR A 101 -8.116 -4.259 6.332 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.915 -6.013 7.421 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.503 -3.787 8.166 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.316 -2.301 7.620 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.821 -3.086 9.135 1.00 0.00 H new ATOM 1546 N VAL A 102 -9.713 -2.075 5.168 1.00 0.00 N ATOM 1547 CA VAL A 102 -9.701 -0.860 4.355 1.00 0.00 C ATOM 1548 C VAL A 102 -10.884 0.019 4.734 1.00 0.00 C ATOM 1549 O VAL A 102 -10.723 1.183 5.096 1.00 0.00 O ATOM 1550 CB VAL A 102 -9.769 -1.213 2.852 1.00 0.00 C ATOM 1551 CG1 VAL A 102 -10.292 -0.059 1.982 1.00 0.00 C ATOM 1552 CG2 VAL A 102 -8.388 -1.600 2.329 1.00 0.00 C ATOM 0 H VAL A 102 -9.687 -2.937 4.624 1.00 0.00 H new ATOM 0 HA VAL A 102 -8.772 -0.321 4.542 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.468 -2.046 2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.315 -0.372 0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -11.298 0.211 2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -9.634 0.804 2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.456 -1.845 1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -7.700 -0.765 2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.020 -2.466 2.879 1.00 0.00 H new ATOM 1562 N GLU A 103 -12.076 -0.563 4.638 1.00 0.00 N ATOM 1563 CA GLU A 103 -13.309 0.158 4.862 1.00 0.00 C ATOM 1564 C GLU A 103 -13.386 0.674 6.296 1.00 0.00 C ATOM 1565 O GLU A 103 -13.755 1.820 6.522 1.00 0.00 O ATOM 1566 CB GLU A 103 -14.471 -0.748 4.468 1.00 0.00 C ATOM 1567 CG GLU A 103 -14.349 -1.095 2.969 1.00 0.00 C ATOM 1568 CD GLU A 103 -15.634 -1.651 2.361 1.00 0.00 C ATOM 1569 OE1 GLU A 103 -16.699 -1.512 3.001 1.00 0.00 O ATOM 1570 OE2 GLU A 103 -15.520 -2.244 1.265 1.00 0.00 O ATOM 0 H GLU A 103 -12.206 -1.547 4.403 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.357 1.051 4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -14.459 -1.658 5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.421 -0.250 4.663 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -14.056 -0.200 2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -13.550 -1.825 2.838 1.00 0.00 H new ATOM 1577 N LYS A 104 -13.016 -0.167 7.260 1.00 0.00 N ATOM 1578 CA LYS A 104 -12.910 0.220 8.661 1.00 0.00 C ATOM 1579 C LYS A 104 -12.055 1.483 8.780 1.00 0.00 C ATOM 1580 O LYS A 104 -12.457 2.450 9.422 1.00 0.00 O ATOM 1581 CB LYS A 104 -12.264 -0.925 9.460 1.00 0.00 C ATOM 1582 CG LYS A 104 -11.813 -0.537 10.881 1.00 0.00 C ATOM 1583 CD LYS A 104 -10.748 -1.507 11.409 1.00 0.00 C ATOM 1584 CE LYS A 104 -11.210 -2.967 11.432 1.00 0.00 C ATOM 1585 NZ LYS A 104 -12.463 -3.142 12.186 1.00 0.00 N ATOM 0 H LYS A 104 -12.780 -1.144 7.087 1.00 0.00 H new ATOM 0 HA LYS A 104 -13.904 0.422 9.060 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -12.975 -1.748 9.530 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.401 -1.295 8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.414 0.477 10.874 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.673 -0.537 11.551 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -9.855 -1.426 10.789 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.464 -1.208 12.418 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.351 -3.318 10.410 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.431 -3.586 11.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.356 -3.927 12.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -12.681 -2.268 12.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -13.238 -3.355 11.526 1.00 0.00 H new ATOM 1599 N TYR A 105 -10.839 1.439 8.228 1.00 0.00 N ATOM 1600 CA TYR A 105 -9.904 2.543 8.347 1.00 0.00 C ATOM 1601 C TYR A 105 -10.422 3.801 7.642 1.00 0.00 C ATOM 1602 O TYR A 105 -10.289 4.898 8.183 1.00 0.00 O ATOM 1603 CB TYR A 105 -8.539 2.135 7.780 1.00 0.00 C ATOM 1604 CG TYR A 105 -7.805 0.957 8.397 1.00 0.00 C ATOM 1605 CD1 TYR A 105 -8.055 0.549 9.721 1.00 0.00 C ATOM 1606 CD2 TYR A 105 -6.680 0.447 7.720 1.00 0.00 C ATOM 1607 CE1 TYR A 105 -7.166 -0.323 10.372 1.00 0.00 C ATOM 1608 CE2 TYR A 105 -5.755 -0.369 8.394 1.00 0.00 C ATOM 1609 CZ TYR A 105 -6.002 -0.760 9.721 1.00 0.00 C ATOM 1610 OH TYR A 105 -5.110 -1.539 10.395 1.00 0.00 O ATOM 0 H TYR A 105 -10.486 0.645 7.694 1.00 0.00 H new ATOM 0 HA TYR A 105 -9.797 2.782 9.405 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -8.675 1.919 6.720 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -7.883 3.003 7.847 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -8.933 0.907 10.238 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -6.527 0.684 6.677 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.379 -0.658 11.376 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -4.856 -0.695 7.893 1.00 0.00 H new ATOM 0 HH TYR A 105 -4.213 -1.404 10.025 1.00 0.00 H new ATOM 1620 N LEU A 106 -10.968 3.650 6.432 1.00 0.00 N ATOM 1621 CA LEU A 106 -11.486 4.749 5.628 1.00 0.00 C ATOM 1622 C LEU A 106 -12.985 4.564 5.381 1.00 0.00 C ATOM 1623 O LEU A 106 -13.805 4.996 6.189 1.00 0.00 O ATOM 1624 CB LEU A 106 -10.694 4.826 4.310 1.00 0.00 C ATOM 1625 CG LEU A 106 -9.219 5.225 4.466 1.00 0.00 C ATOM 1626 CD1 LEU A 106 -8.588 5.195 3.070 1.00 0.00 C ATOM 1627 CD2 LEU A 106 -9.045 6.624 5.068 1.00 0.00 C ATOM 0 H LEU A 106 -11.062 2.741 5.979 1.00 0.00 H new ATOM 0 HA LEU A 106 -11.361 5.692 6.160 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.743 3.855 3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -11.182 5.544 3.651 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.739 4.526 5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.537 5.474 3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.670 4.190 2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.108 5.899 2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.983 6.853 5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.523 7.360 4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -9.505 6.655 6.056 1.00 0.00 H new ATOM 1639 N ASN A 107 -13.334 3.977 4.237 1.00 0.00 N ATOM 1640 CA ASN A 107 -14.665 3.687 3.744 1.00 0.00 C ATOM 1641 C ASN A 107 -14.403 2.838 2.500 1.00 0.00 C ATOM 1642 O ASN A 107 -15.354 2.191 2.012 1.00 0.00 O ATOM 1643 CB ASN A 107 -15.420 4.981 3.392 1.00 0.00 C ATOM 1644 CG ASN A 107 -16.935 4.805 3.253 1.00 0.00 C ATOM 1645 OD1 ASN A 107 -17.699 5.642 3.725 1.00 0.00 O ATOM 1646 ND2 ASN A 107 -17.410 3.747 2.606 1.00 0.00 N ATOM 1647 OXT ASN A 107 -13.232 2.847 2.051 1.00 0.00 O ATOM 0 H ASN A 107 -12.621 3.667 3.577 1.00 0.00 H new ATOM 0 HA ASN A 107 -15.291 3.180 4.478 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -15.221 5.726 4.163 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -15.024 5.377 2.457 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -18.417 3.625 2.498 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -16.768 3.056 2.217 1.00 0.00 H new TER 1654 ASN A 107