USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 814 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 101 LYS NZ :NH3+ -144:sc= 0 (180deg=0) USER MOD Set 1.2: A 105 GLN : amide:sc= 0.0124 X(o=0.012,f=0) USER MOD Set 2.1: A 58 MET CE :methyl 171:sc= -1.25 (180deg=-0.537) USER MOD Set 2.2: A 97 MET CE :methyl -139:sc= -0.662 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.266 X(o=-0.27,f=-0.42) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.112) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 171:sc= 0 USER MOD Single : A 31 SER OG : rot -83:sc= 1.31 USER MOD Single : A 32 THR OG1 : rot -65:sc= -0.0669 USER MOD Single : A 36 LYS NZ :NH3+ 144:sc= -0.481 (180deg=-1.81!) USER MOD Single : A 38 HIS : no HD1:sc= -6.44! C(o=-6.4!,f=-7.2!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -166:sc= -1.34 USER MOD Single : A 44 THR OG1 : rot -64:sc= 0.0749 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.2 K(o=-1.2,f=-4.4!) USER MOD Single : A 59 MET CE :methyl -147:sc= -0.512 (180deg=-1.94!) USER MOD Single : A 65 LYS NZ :NH3+ -174:sc= 0.513 (180deg=0.472) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -138:sc= -0.223 (180deg=-4.19!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= -0.123 (180deg=-0.123) USER MOD Single : A 73 LYS NZ :NH3+ -122:sc= -0.212 (180deg=-1.87!) USER MOD Single : A 75 ASN : amide:sc= 0.983 K(o=0.98,f=-0.41) USER MOD Single : A 78 ASN : amide:sc= -0.075 X(o=-0.075,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 88 MET CE :methyl 160:sc= -1.17 (180deg=-1.96) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0.05) USER MOD Single : A 93 ASN :FLIP amide:sc= 0.827 F(o=-0.062,f=0.83) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 99 ASN : amide:sc= -4.83 K(o=-4.8,f=-9.1!) USER MOD Single : A 102 MET CE :methyl 163:sc= -0.246 (180deg=-0.94) USER MOD Single : A 103 THR OG1 : rot 100:sc= 1.2 USER MOD Single : A 106 GLN :FLIP amide:sc= -0.527 F(o=-1.7,f=-0.53) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 19:sc= -3.87 USER MOD Single : A 112 LYS NZ :NH3+ 178:sc= -1.35 (180deg=-1.47) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 -8.466 10.656 7.155 1.00 0.00 N ATOM 29 CA HIS A 3 -7.667 9.515 7.590 1.00 0.00 C ATOM 30 C HIS A 3 -8.458 8.218 7.466 1.00 0.00 C ATOM 31 O HIS A 3 -8.363 7.337 8.319 1.00 0.00 O ATOM 32 CB HIS A 3 -7.207 9.710 9.036 1.00 0.00 C ATOM 33 CG HIS A 3 -5.948 10.510 9.162 1.00 0.00 C ATOM 34 ND1 HIS A 3 -5.855 11.834 8.785 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.723 10.167 9.629 1.00 0.00 C ATOM 36 CE1 HIS A 3 -4.628 12.269 9.013 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.923 11.279 9.525 1.00 0.00 N ATOM 0 HA HIS A 3 -6.792 9.448 6.944 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -8.000 10.205 9.597 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -7.054 8.733 9.495 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.430 9.200 10.011 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.264 13.266 8.814 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -2.942 11.331 9.800 1.00 0.00 H new ATOM 46 N SER A 4 -9.237 8.108 6.395 1.00 0.00 N ATOM 47 CA SER A 4 -10.046 6.917 6.157 1.00 0.00 C ATOM 48 C SER A 4 -10.858 7.053 4.872 1.00 0.00 C ATOM 49 O SER A 4 -11.503 8.075 4.638 1.00 0.00 O ATOM 50 CB SER A 4 -10.985 6.667 7.339 1.00 0.00 C ATOM 51 OG SER A 4 -11.760 7.818 7.628 1.00 0.00 O ATOM 0 H SER A 4 -9.326 8.828 5.678 1.00 0.00 H new ATOM 0 HA SER A 4 -9.370 6.069 6.050 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.644 5.829 7.113 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.403 6.387 8.217 1.00 0.00 H new ATOM 0 HG SER A 4 -12.353 7.631 8.386 1.00 0.00 H new ATOM 57 N GLY A 5 -10.829 6.011 4.047 1.00 0.00 N ATOM 58 CA GLY A 5 -11.570 6.025 2.802 1.00 0.00 C ATOM 59 C GLY A 5 -12.090 4.649 2.449 1.00 0.00 C ATOM 60 O GLY A 5 -11.511 3.645 2.855 1.00 0.00 O ATOM 0 H GLY A 5 -10.303 5.155 4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.405 6.721 2.883 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.928 6.389 2.000 1.00 0.00 H new ATOM 64 N ALA A 6 -13.182 4.593 1.699 1.00 0.00 N ATOM 65 CA ALA A 6 -13.762 3.315 1.314 1.00 0.00 C ATOM 66 C ALA A 6 -12.884 2.612 0.287 1.00 0.00 C ATOM 67 O ALA A 6 -12.849 2.990 -0.884 1.00 0.00 O ATOM 68 CB ALA A 6 -15.170 3.514 0.778 1.00 0.00 C ATOM 0 H ALA A 6 -13.680 5.411 1.348 1.00 0.00 H new ATOM 0 HA ALA A 6 -13.818 2.680 2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -15.591 2.549 0.494 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -15.792 3.969 1.549 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -15.138 4.167 -0.094 1.00 0.00 H new ATOM 74 N ALA A 7 -12.169 1.587 0.743 1.00 0.00 N ATOM 75 CA ALA A 7 -11.277 0.826 -0.128 1.00 0.00 C ATOM 76 C ALA A 7 -11.798 -0.592 -0.344 1.00 0.00 C ATOM 77 O ALA A 7 -12.514 -1.136 0.497 1.00 0.00 O ATOM 78 CB ALA A 7 -9.870 0.797 0.458 1.00 0.00 C ATOM 0 H ALA A 7 -12.190 1.264 1.710 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.243 1.320 -1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.214 0.227 -0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.494 1.816 0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.895 0.327 1.441 1.00 0.00 H new ATOM 84 N ILE A 8 -11.438 -1.186 -1.480 1.00 0.00 N ATOM 85 CA ILE A 8 -11.872 -2.540 -1.809 1.00 0.00 C ATOM 86 C ILE A 8 -10.803 -3.568 -1.442 1.00 0.00 C ATOM 87 O ILE A 8 -9.607 -3.301 -1.552 1.00 0.00 O ATOM 88 CB ILE A 8 -12.228 -2.665 -3.309 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.619 -2.091 -3.563 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.163 -4.111 -3.781 1.00 0.00 C ATOM 91 CD1 ILE A 8 -13.604 -0.866 -4.435 1.00 0.00 C ATOM 0 H ILE A 8 -10.847 -0.750 -2.188 1.00 0.00 H new ATOM 0 HA ILE A 8 -12.767 -2.743 -1.221 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.492 -2.097 -3.878 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.240 -2.855 -4.031 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.083 -1.844 -2.608 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.419 -4.160 -4.839 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.154 -4.497 -3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.869 -4.713 -3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.624 -0.508 -4.577 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.009 -0.087 -3.958 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.169 -1.114 -5.403 1.00 0.00 H new ATOM 103 N PHE A 9 -11.247 -4.746 -1.012 1.00 0.00 N ATOM 104 CA PHE A 9 -10.333 -5.816 -0.635 1.00 0.00 C ATOM 105 C PHE A 9 -10.963 -7.176 -0.908 1.00 0.00 C ATOM 106 O PHE A 9 -12.039 -7.483 -0.400 1.00 0.00 O ATOM 107 CB PHE A 9 -9.957 -5.701 0.843 1.00 0.00 C ATOM 108 CG PHE A 9 -8.680 -6.410 1.194 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.513 -6.147 0.497 1.00 0.00 C ATOM 110 CD2 PHE A 9 -8.648 -7.339 2.222 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.336 -6.799 0.817 1.00 0.00 C ATOM 112 CE2 PHE A 9 -7.476 -7.993 2.547 1.00 0.00 C ATOM 113 CZ PHE A 9 -6.318 -7.723 1.844 1.00 0.00 C ATOM 0 H PHE A 9 -12.235 -4.982 -0.917 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.429 -5.722 -1.236 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.862 -4.647 1.104 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.767 -6.108 1.448 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.522 -5.425 -0.306 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.550 -7.554 2.775 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.432 -6.586 0.265 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.465 -8.715 3.350 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.400 -8.233 2.097 1.00 0.00 H new ATOM 123 N GLU A 10 -10.290 -7.987 -1.717 1.00 0.00 N ATOM 124 CA GLU A 10 -10.793 -9.313 -2.062 1.00 0.00 C ATOM 125 C GLU A 10 -12.035 -9.208 -2.945 1.00 0.00 C ATOM 126 O GLU A 10 -12.922 -10.059 -2.890 1.00 0.00 O ATOM 127 CB GLU A 10 -11.110 -10.116 -0.795 1.00 0.00 C ATOM 128 CG GLU A 10 -10.131 -11.250 -0.537 1.00 0.00 C ATOM 129 CD GLU A 10 -10.198 -11.766 0.888 1.00 0.00 C ATOM 130 OE1 GLU A 10 -10.698 -11.028 1.762 1.00 0.00 O ATOM 131 OE2 GLU A 10 -9.751 -12.907 1.128 1.00 0.00 O ATOM 0 H GLU A 10 -9.395 -7.750 -2.146 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.016 -9.835 -2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.109 -9.443 0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.116 -10.527 -0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.339 -12.069 -1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.118 -10.906 -0.748 1.00 0.00 H new ATOM 138 N LYS A 11 -12.081 -8.155 -3.763 1.00 0.00 N ATOM 139 CA LYS A 11 -13.201 -7.917 -4.678 1.00 0.00 C ATOM 140 C LYS A 11 -14.390 -7.262 -3.972 1.00 0.00 C ATOM 141 O LYS A 11 -15.372 -6.897 -4.618 1.00 0.00 O ATOM 142 CB LYS A 11 -13.651 -9.222 -5.346 1.00 0.00 C ATOM 143 CG LYS A 11 -12.499 -10.091 -5.831 1.00 0.00 C ATOM 144 CD LYS A 11 -12.744 -11.560 -5.529 1.00 0.00 C ATOM 145 CE LYS A 11 -11.912 -12.459 -6.429 1.00 0.00 C ATOM 146 NZ LYS A 11 -10.463 -12.128 -6.357 1.00 0.00 N ATOM 0 H LYS A 11 -11.349 -7.447 -3.811 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.841 -7.229 -5.443 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.252 -9.793 -4.639 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.295 -8.983 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.367 -9.956 -6.905 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.573 -9.770 -5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.502 -11.763 -4.486 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.801 -11.789 -5.662 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.061 -13.500 -6.141 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.256 -12.361 -7.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.913 -12.872 -6.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.291 -11.216 -6.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.171 -12.064 -5.361 1.00 0.00 H new ATOM 160 N VAL A 12 -14.304 -7.106 -2.653 1.00 0.00 N ATOM 161 CA VAL A 12 -15.380 -6.488 -1.893 1.00 0.00 C ATOM 162 C VAL A 12 -15.000 -5.078 -1.463 1.00 0.00 C ATOM 163 O VAL A 12 -13.841 -4.806 -1.151 1.00 0.00 O ATOM 164 CB VAL A 12 -15.747 -7.329 -0.655 1.00 0.00 C ATOM 165 CG1 VAL A 12 -14.612 -7.358 0.358 1.00 0.00 C ATOM 166 CG2 VAL A 12 -17.031 -6.817 -0.013 1.00 0.00 C ATOM 0 H VAL A 12 -13.503 -7.398 -2.093 1.00 0.00 H new ATOM 0 HA VAL A 12 -16.251 -6.437 -2.547 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.915 -8.352 -0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.907 -7.960 1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.725 -7.792 -0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.391 -6.342 0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -17.270 -7.426 0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.896 -5.780 0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -17.847 -6.878 -0.733 1.00 0.00 H new ATOM 176 N SER A 13 -15.975 -4.180 -1.453 1.00 0.00 N ATOM 177 CA SER A 13 -15.720 -2.804 -1.063 1.00 0.00 C ATOM 178 C SER A 13 -15.976 -2.599 0.422 1.00 0.00 C ATOM 179 O SER A 13 -17.094 -2.777 0.904 1.00 0.00 O ATOM 180 CB SER A 13 -16.580 -1.840 -1.875 1.00 0.00 C ATOM 181 OG SER A 13 -16.874 -2.369 -3.157 1.00 0.00 O ATOM 0 H SER A 13 -16.942 -4.379 -1.709 1.00 0.00 H new ATOM 0 HA SER A 13 -14.670 -2.595 -1.267 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.508 -1.639 -1.340 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.061 -0.888 -1.982 1.00 0.00 H new ATOM 0 HG SER A 13 -17.427 -1.732 -3.655 1.00 0.00 H new ATOM 187 N GLY A 14 -14.928 -2.219 1.140 1.00 0.00 N ATOM 188 CA GLY A 14 -15.049 -1.987 2.562 1.00 0.00 C ATOM 189 C GLY A 14 -14.682 -0.570 2.941 1.00 0.00 C ATOM 190 O GLY A 14 -14.961 0.371 2.198 1.00 0.00 O ATOM 0 H GLY A 14 -13.994 -2.067 0.760 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.072 -2.192 2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.405 -2.684 3.099 1.00 0.00 H new ATOM 194 N ILE A 15 -14.049 -0.416 4.096 1.00 0.00 N ATOM 195 CA ILE A 15 -13.640 0.899 4.566 1.00 0.00 C ATOM 196 C ILE A 15 -12.202 0.879 5.050 1.00 0.00 C ATOM 197 O ILE A 15 -11.859 0.152 5.977 1.00 0.00 O ATOM 198 CB ILE A 15 -14.534 1.397 5.714 1.00 0.00 C ATOM 199 CG1 ILE A 15 -16.006 1.094 5.417 1.00 0.00 C ATOM 200 CG2 ILE A 15 -14.313 2.887 5.949 1.00 0.00 C ATOM 201 CD1 ILE A 15 -16.625 1.994 4.369 1.00 0.00 C ATOM 0 H ILE A 15 -13.808 -1.184 4.723 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.737 1.577 3.718 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.262 0.868 6.627 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -16.093 0.059 5.088 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -16.578 1.184 6.341 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -14.952 3.226 6.764 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.269 3.063 6.209 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.559 3.439 5.042 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -17.667 1.713 4.218 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -16.573 3.030 4.703 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -16.081 1.887 3.431 1.00 0.00 H new ATOM 213 N ILE A 16 -11.369 1.694 4.431 1.00 0.00 N ATOM 214 CA ILE A 16 -9.973 1.780 4.814 1.00 0.00 C ATOM 215 C ILE A 16 -9.785 2.938 5.782 1.00 0.00 C ATOM 216 O ILE A 16 -10.134 4.076 5.478 1.00 0.00 O ATOM 217 CB ILE A 16 -9.064 1.936 3.567 1.00 0.00 C ATOM 218 CG1 ILE A 16 -8.359 0.612 3.267 1.00 0.00 C ATOM 219 CG2 ILE A 16 -8.037 3.049 3.728 1.00 0.00 C ATOM 220 CD1 ILE A 16 -7.383 0.689 2.111 1.00 0.00 C ATOM 0 H ILE A 16 -11.635 2.306 3.660 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.681 0.855 5.311 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.707 2.212 2.731 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.826 0.284 4.160 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.110 -0.147 3.047 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.427 3.115 2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.550 3.997 3.889 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.397 2.833 4.584 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.922 -0.287 1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.913 0.986 1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.610 1.424 2.336 1.00 0.00 H new ATOM 232 N ALA A 17 -9.259 2.640 6.958 1.00 0.00 N ATOM 233 CA ALA A 17 -9.059 3.664 7.970 1.00 0.00 C ATOM 234 C ALA A 17 -7.719 3.500 8.677 1.00 0.00 C ATOM 235 O ALA A 17 -7.357 2.403 9.104 1.00 0.00 O ATOM 236 CB ALA A 17 -10.209 3.629 8.966 1.00 0.00 C ATOM 0 H ALA A 17 -8.964 1.704 7.235 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.043 4.637 7.478 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.057 4.397 9.724 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.148 3.814 8.444 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.247 2.650 9.444 1.00 0.00 H new ATOM 242 N ILE A 18 -6.985 4.603 8.793 1.00 0.00 N ATOM 243 CA ILE A 18 -5.680 4.594 9.443 1.00 0.00 C ATOM 244 C ILE A 18 -5.812 4.823 10.945 1.00 0.00 C ATOM 245 O ILE A 18 -6.266 5.880 11.383 1.00 0.00 O ATOM 246 CB ILE A 18 -4.751 5.673 8.852 1.00 0.00 C ATOM 247 CG1 ILE A 18 -4.722 5.576 7.326 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.348 5.539 9.424 1.00 0.00 C ATOM 249 CD1 ILE A 18 -5.843 6.335 6.649 1.00 0.00 C ATOM 0 H ILE A 18 -7.274 5.517 8.444 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.245 3.611 9.264 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.141 6.653 9.126 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.767 5.956 6.964 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.778 4.527 7.036 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.706 6.308 8.996 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.384 5.657 10.507 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.948 4.555 9.180 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.759 6.221 5.568 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.803 5.940 6.982 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.776 7.391 6.909 1.00 0.00 H new ATOM 261 N ASN A 19 -5.406 3.830 11.729 1.00 0.00 N ATOM 262 CA ASN A 19 -5.475 3.927 13.181 1.00 0.00 C ATOM 263 C ASN A 19 -4.262 4.670 13.729 1.00 0.00 C ATOM 264 O ASN A 19 -3.170 4.111 13.823 1.00 0.00 O ATOM 265 CB ASN A 19 -5.564 2.534 13.807 1.00 0.00 C ATOM 266 CG ASN A 19 -6.612 2.457 14.900 1.00 0.00 C ATOM 267 OD1 ASN A 19 -7.810 2.396 14.625 1.00 0.00 O ATOM 268 ND2 ASN A 19 -6.164 2.461 16.150 1.00 0.00 N ATOM 0 H ASN A 19 -5.026 2.949 11.383 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.373 4.487 13.442 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.798 1.804 13.032 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.592 2.261 14.219 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.822 2.412 16.928 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.162 2.513 16.332 1.00 0.00 H new ATOM 275 N GLU A 20 -4.464 5.933 14.092 1.00 0.00 N ATOM 276 CA GLU A 20 -3.385 6.750 14.633 1.00 0.00 C ATOM 277 C GLU A 20 -3.326 6.650 16.156 1.00 0.00 C ATOM 278 O GLU A 20 -2.677 7.461 16.815 1.00 0.00 O ATOM 279 CB GLU A 20 -3.563 8.211 14.213 1.00 0.00 C ATOM 280 CG GLU A 20 -3.392 8.440 12.720 1.00 0.00 C ATOM 281 CD GLU A 20 -2.027 8.998 12.369 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.017 8.319 12.651 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.967 10.114 11.813 1.00 0.00 O ATOM 0 H GLU A 20 -5.362 6.411 14.021 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.445 6.373 14.229 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.555 8.548 14.513 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.842 8.826 14.751 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.542 7.498 12.192 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.162 9.128 12.371 1.00 0.00 H new ATOM 290 N ASP A 21 -3.995 5.641 16.709 1.00 0.00 N ATOM 291 CA ASP A 21 -4.001 5.430 18.150 1.00 0.00 C ATOM 292 C ASP A 21 -2.798 4.590 18.565 1.00 0.00 C ATOM 293 O ASP A 21 -2.418 4.563 19.736 1.00 0.00 O ATOM 294 CB ASP A 21 -5.296 4.740 18.583 1.00 0.00 C ATOM 295 CG ASP A 21 -5.794 5.238 19.926 1.00 0.00 C ATOM 296 OD1 ASP A 21 -5.255 4.794 20.961 1.00 0.00 O ATOM 297 OD2 ASP A 21 -6.724 6.072 19.942 1.00 0.00 O ATOM 0 H ASP A 21 -4.538 4.959 16.180 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.941 6.401 18.642 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.064 4.908 17.828 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.131 3.664 18.636 1.00 0.00 H new ATOM 302 N VAL A 22 -2.199 3.913 17.590 1.00 0.00 N ATOM 303 CA VAL A 22 -1.034 3.075 17.838 1.00 0.00 C ATOM 304 C VAL A 22 0.244 3.915 17.813 1.00 0.00 C ATOM 305 O VAL A 22 0.187 5.142 17.901 1.00 0.00 O ATOM 306 CB VAL A 22 -0.937 1.950 16.791 1.00 0.00 C ATOM 307 CG1 VAL A 22 -2.100 0.981 16.941 1.00 0.00 C ATOM 308 CG2 VAL A 22 -0.902 2.537 15.391 1.00 0.00 C ATOM 0 H VAL A 22 -2.504 3.930 16.617 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.146 2.626 18.825 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.012 1.398 16.956 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.015 0.193 16.193 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.080 0.540 17.937 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.039 1.515 16.800 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.833 1.731 14.660 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.812 3.111 15.214 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.036 3.191 15.292 1.00 0.00 H new ATOM 318 N SER A 23 1.394 3.257 17.699 1.00 0.00 N ATOM 319 CA SER A 23 2.670 3.963 17.671 1.00 0.00 C ATOM 320 C SER A 23 3.145 4.195 16.236 1.00 0.00 C ATOM 321 O SER A 23 3.416 5.330 15.845 1.00 0.00 O ATOM 322 CB SER A 23 3.729 3.187 18.459 1.00 0.00 C ATOM 323 OG SER A 23 4.063 3.858 19.662 1.00 0.00 O ATOM 0 H SER A 23 1.468 2.242 17.625 1.00 0.00 H new ATOM 0 HA SER A 23 2.522 4.936 18.140 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.357 2.188 18.687 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.623 3.063 17.848 1.00 0.00 H new ATOM 0 HG SER A 23 4.740 3.342 20.148 1.00 0.00 H new ATOM 329 N PRO A 24 3.256 3.125 15.427 1.00 0.00 N ATOM 330 CA PRO A 24 3.703 3.221 14.042 1.00 0.00 C ATOM 331 C PRO A 24 2.563 3.483 13.069 1.00 0.00 C ATOM 332 O PRO A 24 2.737 3.427 11.855 1.00 0.00 O ATOM 333 CB PRO A 24 4.315 1.845 13.768 1.00 0.00 C ATOM 334 CG PRO A 24 3.963 0.976 14.944 1.00 0.00 C ATOM 335 CD PRO A 24 2.970 1.736 15.782 1.00 0.00 C ATOM 0 HA PRO A 24 4.392 4.054 13.904 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.922 1.423 12.843 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.396 1.918 13.650 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.538 0.030 14.609 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.854 0.737 15.526 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.943 1.460 15.545 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.112 1.552 16.847 1.00 0.00 H new ATOM 343 N ALA A 25 1.406 3.764 13.623 1.00 0.00 N ATOM 344 CA ALA A 25 0.207 4.036 12.840 1.00 0.00 C ATOM 345 C ALA A 25 -0.129 2.857 11.931 1.00 0.00 C ATOM 346 O ALA A 25 0.682 2.445 11.102 1.00 0.00 O ATOM 347 CB ALA A 25 0.387 5.308 12.029 1.00 0.00 C ATOM 0 H ALA A 25 1.262 3.812 14.632 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.628 4.177 13.526 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.515 5.500 11.449 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.571 6.146 12.702 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.235 5.192 11.354 1.00 0.00 H new ATOM 353 N GLU A 26 -1.328 2.308 12.097 1.00 0.00 N ATOM 354 CA GLU A 26 -1.758 1.167 11.299 1.00 0.00 C ATOM 355 C GLU A 26 -2.875 1.543 10.325 1.00 0.00 C ATOM 356 O GLU A 26 -3.419 2.646 10.370 1.00 0.00 O ATOM 357 CB GLU A 26 -2.227 0.031 12.211 1.00 0.00 C ATOM 358 CG GLU A 26 -3.372 0.422 13.129 1.00 0.00 C ATOM 359 CD GLU A 26 -3.941 -0.762 13.886 1.00 0.00 C ATOM 360 OE1 GLU A 26 -3.147 -1.601 14.360 1.00 0.00 O ATOM 361 OE2 GLU A 26 -5.181 -0.849 14.007 1.00 0.00 O ATOM 0 H GLU A 26 -2.017 2.634 12.775 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.900 0.836 10.714 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.538 -0.813 11.595 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.387 -0.308 12.816 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.023 1.170 13.841 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.163 0.886 12.540 1.00 0.00 H new ATOM 368 N LEU A 27 -3.202 0.598 9.453 1.00 0.00 N ATOM 369 CA LEU A 27 -4.247 0.768 8.451 1.00 0.00 C ATOM 370 C LEU A 27 -5.235 -0.391 8.560 1.00 0.00 C ATOM 371 O LEU A 27 -4.893 -1.533 8.253 1.00 0.00 O ATOM 372 CB LEU A 27 -3.614 0.803 7.055 1.00 0.00 C ATOM 373 CG LEU A 27 -4.524 1.279 5.921 1.00 0.00 C ATOM 374 CD1 LEU A 27 -3.807 2.311 5.061 1.00 0.00 C ATOM 375 CD2 LEU A 27 -4.977 0.102 5.067 1.00 0.00 C ATOM 0 H LEU A 27 -2.747 -0.314 9.421 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.778 1.705 8.618 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.739 1.452 7.090 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.258 -0.198 6.813 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.405 1.745 6.362 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.468 2.639 4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.529 3.167 5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.909 1.866 4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.623 0.461 4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.106 -0.392 4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.527 -0.607 5.686 1.00 0.00 H new ATOM 387 N THR A 28 -6.446 -0.106 9.027 1.00 0.00 N ATOM 388 CA THR A 28 -7.451 -1.150 9.206 1.00 0.00 C ATOM 389 C THR A 28 -8.597 -1.033 8.207 1.00 0.00 C ATOM 390 O THR A 28 -9.285 -0.014 8.150 1.00 0.00 O ATOM 391 CB THR A 28 -8.006 -1.100 10.629 1.00 0.00 C ATOM 392 OG1 THR A 28 -6.954 -1.055 11.576 1.00 0.00 O ATOM 393 CG2 THR A 28 -8.883 -2.284 10.971 1.00 0.00 C ATOM 0 H THR A 28 -6.755 0.831 9.287 1.00 0.00 H new ATOM 0 HA THR A 28 -6.957 -2.105 9.028 1.00 0.00 H new ATOM 0 HB THR A 28 -8.613 -0.196 10.671 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.323 -0.878 12.467 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.244 -2.186 11.995 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.732 -2.317 10.289 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.306 -3.204 10.876 1.00 0.00 H new ATOM 401 N TRP A 29 -8.809 -2.098 7.439 1.00 0.00 N ATOM 402 CA TRP A 29 -9.879 -2.139 6.462 1.00 0.00 C ATOM 403 C TRP A 29 -11.133 -2.764 7.067 1.00 0.00 C ATOM 404 O TRP A 29 -11.172 -3.965 7.332 1.00 0.00 O ATOM 405 CB TRP A 29 -9.450 -2.948 5.238 1.00 0.00 C ATOM 406 CG TRP A 29 -10.547 -3.101 4.234 1.00 0.00 C ATOM 407 CD1 TRP A 29 -11.004 -2.143 3.388 1.00 0.00 C ATOM 408 CD2 TRP A 29 -11.333 -4.270 3.988 1.00 0.00 C ATOM 409 NE1 TRP A 29 -12.024 -2.643 2.610 1.00 0.00 N ATOM 410 CE2 TRP A 29 -12.244 -3.950 2.962 1.00 0.00 C ATOM 411 CE3 TRP A 29 -11.352 -5.558 4.530 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -13.163 -4.875 2.471 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -12.266 -6.471 4.043 1.00 0.00 C ATOM 414 CH2 TRP A 29 -13.159 -6.127 3.023 1.00 0.00 C ATOM 0 H TRP A 29 -8.246 -2.948 7.480 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.101 -1.116 6.159 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.597 -2.461 4.766 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -9.116 -3.935 5.559 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.623 -1.134 3.333 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.532 -2.127 1.891 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.664 -5.834 5.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -13.854 -4.613 1.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -12.292 -7.468 4.457 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.860 -6.865 2.663 1.00 0.00 H new ATOM 425 N ARG A 30 -12.155 -1.946 7.269 1.00 0.00 N ATOM 426 CA ARG A 30 -13.414 -2.423 7.829 1.00 0.00 C ATOM 427 C ARG A 30 -14.499 -2.423 6.758 1.00 0.00 C ATOM 428 O ARG A 30 -14.905 -1.367 6.278 1.00 0.00 O ATOM 429 CB ARG A 30 -13.840 -1.547 9.008 1.00 0.00 C ATOM 430 CG ARG A 30 -14.972 -2.143 9.830 1.00 0.00 C ATOM 431 CD ARG A 30 -16.327 -1.622 9.378 1.00 0.00 C ATOM 432 NE ARG A 30 -17.130 -1.138 10.498 1.00 0.00 N ATOM 433 CZ ARG A 30 -16.958 0.049 11.076 1.00 0.00 C ATOM 434 NH1 ARG A 30 -16.014 0.875 10.643 1.00 0.00 N ATOM 435 NH2 ARG A 30 -17.732 0.410 12.090 1.00 0.00 N ATOM 0 H ARG A 30 -12.139 -0.949 7.054 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.270 -3.443 8.187 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.980 -1.381 9.656 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.149 -0.572 8.632 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -14.952 -3.229 9.744 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.823 -1.904 10.883 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -16.184 -0.815 8.660 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -16.867 -2.416 8.862 1.00 0.00 H new ATOM 0 HE ARG A 30 -17.866 -1.745 10.859 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.416 0.602 9.863 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -15.887 1.783 11.090 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -18.459 -0.221 12.427 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -17.601 1.319 12.533 1.00 0.00 H new ATOM 449 N SER A 31 -14.961 -3.614 6.381 1.00 0.00 N ATOM 450 CA SER A 31 -15.993 -3.742 5.355 1.00 0.00 C ATOM 451 C SER A 31 -17.144 -2.774 5.606 1.00 0.00 C ATOM 452 O SER A 31 -17.246 -2.180 6.680 1.00 0.00 O ATOM 453 CB SER A 31 -16.522 -5.178 5.301 1.00 0.00 C ATOM 454 OG SER A 31 -16.665 -5.719 6.603 1.00 0.00 O ATOM 0 H SER A 31 -14.638 -4.500 6.769 1.00 0.00 H new ATOM 0 HA SER A 31 -15.539 -3.494 4.396 1.00 0.00 H new ATOM 0 HB2 SER A 31 -17.484 -5.195 4.789 1.00 0.00 H new ATOM 0 HB3 SER A 31 -15.840 -5.798 4.719 1.00 0.00 H new ATOM 0 HG SER A 31 -15.800 -6.062 6.912 1.00 0.00 H new ATOM 460 N THR A 32 -18.010 -2.622 4.611 1.00 0.00 N ATOM 461 CA THR A 32 -19.153 -1.734 4.725 1.00 0.00 C ATOM 462 C THR A 32 -20.188 -2.346 5.646 1.00 0.00 C ATOM 463 O THR A 32 -20.801 -1.666 6.469 1.00 0.00 O ATOM 464 CB THR A 32 -19.765 -1.477 3.351 1.00 0.00 C ATOM 465 OG1 THR A 32 -19.030 -2.142 2.337 1.00 0.00 O ATOM 466 CG2 THR A 32 -19.825 -0.011 2.987 1.00 0.00 C ATOM 0 H THR A 32 -17.939 -3.105 3.715 1.00 0.00 H new ATOM 0 HA THR A 32 -18.820 -0.783 5.141 1.00 0.00 H new ATOM 0 HB THR A 32 -20.783 -1.862 3.415 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.131 -1.755 2.277 1.00 0.00 H new ATOM 0 HG21 THR A 32 -20.271 0.101 1.999 1.00 0.00 H new ATOM 0 HG22 THR A 32 -20.431 0.521 3.720 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.817 0.404 2.979 1.00 0.00 H new ATOM 474 N ASP A 33 -20.369 -3.646 5.491 1.00 0.00 N ATOM 475 CA ASP A 33 -21.324 -4.388 6.293 1.00 0.00 C ATOM 476 C ASP A 33 -20.759 -4.690 7.673 1.00 0.00 C ATOM 477 O ASP A 33 -21.431 -4.506 8.689 1.00 0.00 O ATOM 478 CB ASP A 33 -21.719 -5.688 5.590 1.00 0.00 C ATOM 479 CG ASP A 33 -23.159 -6.077 5.860 1.00 0.00 C ATOM 480 OD1 ASP A 33 -23.428 -6.648 6.938 1.00 0.00 O ATOM 481 OD2 ASP A 33 -24.018 -5.812 4.993 1.00 0.00 O ATOM 0 H ASP A 33 -19.862 -4.213 4.811 1.00 0.00 H new ATOM 0 HA ASP A 33 -22.213 -3.769 6.414 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -21.571 -5.576 4.516 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -21.060 -6.491 5.921 1.00 0.00 H new ATOM 486 N GLY A 34 -19.522 -5.156 7.698 1.00 0.00 N ATOM 487 CA GLY A 34 -18.874 -5.484 8.954 1.00 0.00 C ATOM 488 C GLY A 34 -18.684 -6.976 9.130 1.00 0.00 C ATOM 489 O GLY A 34 -18.587 -7.469 10.253 1.00 0.00 O ATOM 0 H GLY A 34 -18.950 -5.315 6.868 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.904 -4.989 9.000 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.470 -5.096 9.780 1.00 0.00 H new ATOM 493 N ASP A 35 -18.631 -7.697 8.015 1.00 0.00 N ATOM 494 CA ASP A 35 -18.451 -9.142 8.047 1.00 0.00 C ATOM 495 C ASP A 35 -16.991 -9.520 7.818 1.00 0.00 C ATOM 496 O ASP A 35 -16.569 -10.627 8.150 1.00 0.00 O ATOM 497 CB ASP A 35 -19.335 -9.811 6.992 1.00 0.00 C ATOM 498 CG ASP A 35 -19.031 -9.323 5.590 1.00 0.00 C ATOM 499 OD1 ASP A 35 -18.527 -8.189 5.452 1.00 0.00 O ATOM 500 OD2 ASP A 35 -19.297 -10.076 4.629 1.00 0.00 O ATOM 0 H ASP A 35 -18.710 -7.303 7.078 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.745 -9.495 9.036 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -19.195 -10.891 7.036 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -20.382 -9.616 7.223 1.00 0.00 H new ATOM 505 N LYS A 36 -16.224 -8.596 7.249 1.00 0.00 N ATOM 506 CA LYS A 36 -14.812 -8.843 6.980 1.00 0.00 C ATOM 507 C LYS A 36 -13.960 -7.639 7.362 1.00 0.00 C ATOM 508 O LYS A 36 -14.393 -6.494 7.240 1.00 0.00 O ATOM 509 CB LYS A 36 -14.599 -9.192 5.505 1.00 0.00 C ATOM 510 CG LYS A 36 -15.404 -8.325 4.547 1.00 0.00 C ATOM 511 CD LYS A 36 -15.744 -9.075 3.268 1.00 0.00 C ATOM 512 CE LYS A 36 -14.491 -9.557 2.553 1.00 0.00 C ATOM 513 NZ LYS A 36 -14.068 -10.906 3.021 1.00 0.00 N ATOM 0 H LYS A 36 -16.554 -7.673 6.966 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.500 -9.690 7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -13.540 -9.093 5.267 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -14.865 -10.237 5.346 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -16.323 -7.999 5.034 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -14.837 -7.427 4.303 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -16.380 -9.928 3.504 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -16.315 -8.425 2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.675 -9.587 1.479 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.682 -8.845 2.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.682 -11.446 2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.338 -10.806 3.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.888 -11.410 3.415 1.00 0.00 H new ATOM 527 N VAL A 37 -12.748 -7.910 7.833 1.00 0.00 N ATOM 528 CA VAL A 37 -11.835 -6.852 8.243 1.00 0.00 C ATOM 529 C VAL A 37 -10.389 -7.205 7.892 1.00 0.00 C ATOM 530 O VAL A 37 -10.047 -8.377 7.733 1.00 0.00 O ATOM 531 CB VAL A 37 -11.965 -6.570 9.761 1.00 0.00 C ATOM 532 CG1 VAL A 37 -10.809 -7.173 10.550 1.00 0.00 C ATOM 533 CG2 VAL A 37 -12.070 -5.076 10.015 1.00 0.00 C ATOM 0 H VAL A 37 -12.376 -8.854 7.940 1.00 0.00 H new ATOM 0 HA VAL A 37 -12.108 -5.949 7.697 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.879 -7.050 10.110 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.938 -6.953 11.610 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.792 -8.253 10.403 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.869 -6.745 10.202 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.161 -4.895 11.086 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.177 -4.579 9.637 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.948 -4.681 9.504 1.00 0.00 H new ATOM 543 N HIS A 38 -9.546 -6.184 7.778 1.00 0.00 N ATOM 544 CA HIS A 38 -8.138 -6.385 7.452 1.00 0.00 C ATOM 545 C HIS A 38 -7.263 -5.381 8.194 1.00 0.00 C ATOM 546 O HIS A 38 -7.673 -4.244 8.432 1.00 0.00 O ATOM 547 CB HIS A 38 -7.914 -6.259 5.944 1.00 0.00 C ATOM 548 CG HIS A 38 -6.814 -7.134 5.427 1.00 0.00 C ATOM 549 ND1 HIS A 38 -6.762 -8.493 5.657 1.00 0.00 N ATOM 550 CD2 HIS A 38 -5.719 -6.838 4.687 1.00 0.00 C ATOM 551 CE1 HIS A 38 -5.683 -8.994 5.082 1.00 0.00 C ATOM 552 NE2 HIS A 38 -5.034 -8.011 4.487 1.00 0.00 N ATOM 0 H HIS A 38 -9.813 -5.208 7.907 1.00 0.00 H new ATOM 0 HA HIS A 38 -7.858 -7.390 7.767 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -8.840 -6.508 5.425 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -7.684 -5.221 5.705 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.437 -5.861 4.322 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -5.383 -10.031 5.096 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -4.164 -8.107 3.963 1.00 0.00 H new ATOM 561 N THR A 39 -6.058 -5.807 8.562 1.00 0.00 N ATOM 562 CA THR A 39 -5.132 -4.941 9.282 1.00 0.00 C ATOM 563 C THR A 39 -3.824 -4.768 8.514 1.00 0.00 C ATOM 564 O THR A 39 -3.278 -5.728 7.971 1.00 0.00 O ATOM 565 CB THR A 39 -4.845 -5.512 10.672 1.00 0.00 C ATOM 566 OG1 THR A 39 -5.984 -6.184 11.181 1.00 0.00 O ATOM 567 CG2 THR A 39 -4.445 -4.458 11.682 1.00 0.00 C ATOM 0 H THR A 39 -5.701 -6.744 8.374 1.00 0.00 H new ATOM 0 HA THR A 39 -5.601 -3.962 9.383 1.00 0.00 H new ATOM 0 HB THR A 39 -4.008 -6.197 10.536 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.781 -6.544 12.070 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.256 -4.931 12.646 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.541 -3.953 11.342 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.250 -3.730 11.786 1.00 0.00 H new ATOM 575 N VAL A 40 -3.329 -3.535 8.478 1.00 0.00 N ATOM 576 CA VAL A 40 -2.086 -3.222 7.785 1.00 0.00 C ATOM 577 C VAL A 40 -1.253 -2.257 8.592 1.00 0.00 C ATOM 578 O VAL A 40 -1.723 -1.197 8.986 1.00 0.00 O ATOM 579 CB VAL A 40 -2.346 -2.608 6.401 1.00 0.00 C ATOM 580 CG1 VAL A 40 -1.228 -1.658 5.980 1.00 0.00 C ATOM 581 CG2 VAL A 40 -2.514 -3.706 5.382 1.00 0.00 C ATOM 0 H VAL A 40 -3.773 -2.732 8.924 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.550 -4.163 7.660 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.263 -2.021 6.460 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.452 -1.246 4.996 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.148 -0.847 6.703 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.284 -2.202 5.940 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.698 -3.267 4.401 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.607 -4.310 5.345 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.358 -4.336 5.662 1.00 0.00 H new ATOM 591 N VAL A 41 -0.009 -2.613 8.821 1.00 0.00 N ATOM 592 CA VAL A 41 0.873 -1.739 9.572 1.00 0.00 C ATOM 593 C VAL A 41 1.808 -0.968 8.648 1.00 0.00 C ATOM 594 O VAL A 41 2.684 -1.548 8.009 1.00 0.00 O ATOM 595 CB VAL A 41 1.683 -2.500 10.640 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.666 -1.569 11.343 1.00 0.00 C ATOM 597 CG2 VAL A 41 0.739 -3.135 11.649 1.00 0.00 C ATOM 0 H VAL A 41 0.413 -3.486 8.505 1.00 0.00 H new ATOM 0 HA VAL A 41 0.232 -1.027 10.092 1.00 0.00 H new ATOM 0 HB VAL A 41 2.257 -3.285 10.147 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.226 -2.129 12.092 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.357 -1.150 10.612 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.118 -0.761 11.828 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.318 -3.671 12.401 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.147 -2.358 12.133 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.075 -3.832 11.137 1.00 0.00 H new ATOM 607 N LEU A 42 1.611 0.343 8.587 1.00 0.00 N ATOM 608 CA LEU A 42 2.433 1.202 7.746 1.00 0.00 C ATOM 609 C LEU A 42 3.910 1.084 8.121 1.00 0.00 C ATOM 610 O LEU A 42 4.789 1.387 7.315 1.00 0.00 O ATOM 611 CB LEU A 42 1.971 2.654 7.865 1.00 0.00 C ATOM 612 CG LEU A 42 0.693 2.991 7.096 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.841 2.625 5.627 1.00 0.00 C ATOM 614 CD2 LEU A 42 -0.501 2.276 7.710 1.00 0.00 C ATOM 0 H LEU A 42 0.887 0.835 9.111 1.00 0.00 H new ATOM 0 HA LEU A 42 2.319 0.877 6.712 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.814 2.884 8.919 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.772 3.304 7.512 1.00 0.00 H new ATOM 0 HG LEU A 42 0.522 4.065 7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.078 2.872 5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.671 3.184 5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.036 1.557 5.536 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.402 2.527 7.151 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.339 1.199 7.673 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.619 2.589 8.747 1.00 0.00 H new ATOM 626 N SER A 43 4.176 0.638 9.349 1.00 0.00 N ATOM 627 CA SER A 43 5.548 0.478 9.822 1.00 0.00 C ATOM 628 C SER A 43 6.314 -0.492 8.936 1.00 0.00 C ATOM 629 O SER A 43 7.488 -0.284 8.632 1.00 0.00 O ATOM 630 CB SER A 43 5.558 -0.014 11.271 1.00 0.00 C ATOM 631 OG SER A 43 6.418 0.777 12.072 1.00 0.00 O ATOM 0 H SER A 43 3.461 0.382 10.031 1.00 0.00 H new ATOM 0 HA SER A 43 6.039 1.450 9.776 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.547 0.018 11.676 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.881 -1.055 11.303 1.00 0.00 H new ATOM 0 HG SER A 43 6.582 0.322 12.924 1.00 0.00 H new ATOM 637 N THR A 44 5.633 -1.546 8.523 1.00 0.00 N ATOM 638 CA THR A 44 6.231 -2.559 7.660 1.00 0.00 C ATOM 639 C THR A 44 6.216 -2.092 6.214 1.00 0.00 C ATOM 640 O THR A 44 7.111 -2.409 5.431 1.00 0.00 O ATOM 641 CB THR A 44 5.484 -3.892 7.788 1.00 0.00 C ATOM 642 OG1 THR A 44 4.423 -3.968 6.852 1.00 0.00 O ATOM 643 CG2 THR A 44 4.896 -4.124 9.162 1.00 0.00 C ATOM 0 H THR A 44 4.660 -1.727 8.771 1.00 0.00 H new ATOM 0 HA THR A 44 7.264 -2.710 7.975 1.00 0.00 H new ATOM 0 HB THR A 44 6.236 -4.658 7.598 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.760 -3.275 7.052 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.382 -5.085 9.180 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.694 -4.125 9.904 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.187 -3.329 9.393 1.00 0.00 H new ATOM 651 N ILE A 45 5.187 -1.331 5.875 1.00 0.00 N ATOM 652 CA ILE A 45 5.035 -0.800 4.528 1.00 0.00 C ATOM 653 C ILE A 45 6.261 0.016 4.124 1.00 0.00 C ATOM 654 O ILE A 45 6.426 1.159 4.548 1.00 0.00 O ATOM 655 CB ILE A 45 3.777 0.085 4.411 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.533 -0.689 4.872 1.00 0.00 C ATOM 657 CG2 ILE A 45 3.609 0.593 2.984 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.086 -1.774 3.914 1.00 0.00 C ATOM 0 H ILE A 45 4.441 -1.066 6.518 1.00 0.00 H new ATOM 0 HA ILE A 45 4.930 -1.653 3.857 1.00 0.00 H new ATOM 0 HB ILE A 45 3.899 0.950 5.062 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.738 -1.139 5.843 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.713 0.015 5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.716 1.215 2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.482 1.182 2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.509 -0.254 2.306 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.203 -2.271 4.314 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.846 -1.330 2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.887 -2.502 3.790 1.00 0.00 H new ATOM 670 N ASP A 46 7.119 -0.584 3.306 1.00 0.00 N ATOM 671 CA ASP A 46 8.334 0.081 2.850 1.00 0.00 C ATOM 672 C ASP A 46 8.022 1.148 1.802 1.00 0.00 C ATOM 673 O ASP A 46 8.788 2.096 1.627 1.00 0.00 O ATOM 674 CB ASP A 46 9.313 -0.943 2.273 1.00 0.00 C ATOM 675 CG ASP A 46 10.750 -0.465 2.332 1.00 0.00 C ATOM 676 OD1 ASP A 46 11.104 0.235 3.304 1.00 0.00 O ATOM 677 OD2 ASP A 46 11.523 -0.791 1.406 1.00 0.00 O ATOM 0 H ASP A 46 6.995 -1.530 2.945 1.00 0.00 H new ATOM 0 HA ASP A 46 8.790 0.571 3.711 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.221 -1.879 2.823 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.045 -1.154 1.238 1.00 0.00 H new ATOM 682 N LYS A 47 6.902 0.989 1.104 1.00 0.00 N ATOM 683 CA LYS A 47 6.510 1.944 0.073 1.00 0.00 C ATOM 684 C LYS A 47 4.993 2.008 -0.079 1.00 0.00 C ATOM 685 O LYS A 47 4.276 1.082 0.302 1.00 0.00 O ATOM 686 CB LYS A 47 7.152 1.568 -1.264 1.00 0.00 C ATOM 687 CG LYS A 47 6.775 2.498 -2.406 1.00 0.00 C ATOM 688 CD LYS A 47 7.525 2.146 -3.682 1.00 0.00 C ATOM 689 CE LYS A 47 6.584 2.058 -4.875 1.00 0.00 C ATOM 690 NZ LYS A 47 5.885 0.744 -4.933 1.00 0.00 N ATOM 0 H LYS A 47 6.253 0.213 1.232 1.00 0.00 H new ATOM 0 HA LYS A 47 6.861 2.929 0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.236 1.569 -1.149 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.860 0.551 -1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.702 2.439 -2.586 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.995 3.528 -2.126 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.290 2.898 -3.875 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.040 1.194 -3.552 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.847 2.859 -4.817 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.148 2.210 -5.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.253 0.723 -5.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.587 -0.019 -5.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.326 0.610 -4.066 1.00 0.00 H new ATOM 704 N LEU A 48 4.513 3.112 -0.646 1.00 0.00 N ATOM 705 CA LEU A 48 3.084 3.312 -0.864 1.00 0.00 C ATOM 706 C LEU A 48 2.786 3.438 -2.355 1.00 0.00 C ATOM 707 O LEU A 48 3.661 3.806 -3.139 1.00 0.00 O ATOM 708 CB LEU A 48 2.608 4.567 -0.126 1.00 0.00 C ATOM 709 CG LEU A 48 1.280 4.420 0.619 1.00 0.00 C ATOM 710 CD1 LEU A 48 1.525 4.161 2.098 1.00 0.00 C ATOM 711 CD2 LEU A 48 0.422 5.662 0.430 1.00 0.00 C ATOM 0 H LEU A 48 5.097 3.885 -0.964 1.00 0.00 H new ATOM 0 HA LEU A 48 2.549 2.447 -0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.376 4.862 0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.514 5.379 -0.847 1.00 0.00 H new ATOM 0 HG LEU A 48 0.745 3.566 0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.570 4.059 2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.101 3.243 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.081 4.995 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.519 5.540 0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.951 6.532 0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.218 5.805 -0.631 1.00 0.00 H new ATOM 723 N GLN A 49 1.553 3.131 -2.747 1.00 0.00 N ATOM 724 CA GLN A 49 1.166 3.216 -4.152 1.00 0.00 C ATOM 725 C GLN A 49 -0.190 3.894 -4.313 1.00 0.00 C ATOM 726 O GLN A 49 -1.053 3.798 -3.440 1.00 0.00 O ATOM 727 CB GLN A 49 1.130 1.823 -4.782 1.00 0.00 C ATOM 728 CG GLN A 49 1.603 1.797 -6.227 1.00 0.00 C ATOM 729 CD GLN A 49 2.163 0.448 -6.632 1.00 0.00 C ATOM 730 OE1 GLN A 49 2.240 -0.475 -5.820 1.00 0.00 O ATOM 731 NE2 GLN A 49 2.558 0.325 -7.894 1.00 0.00 N ATOM 0 H GLN A 49 0.811 2.824 -2.119 1.00 0.00 H new ATOM 0 HA GLN A 49 1.913 3.821 -4.665 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.753 1.150 -4.192 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.111 1.438 -4.735 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.771 2.053 -6.883 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.367 2.561 -6.369 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.476 1.116 -8.533 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.943 -0.560 -8.224 1.00 0.00 H new ATOM 740 N ALA A 50 -0.370 4.577 -5.439 1.00 0.00 N ATOM 741 CA ALA A 50 -1.618 5.271 -5.725 1.00 0.00 C ATOM 742 C ALA A 50 -1.746 5.577 -7.212 1.00 0.00 C ATOM 743 O ALA A 50 -0.808 6.073 -7.837 1.00 0.00 O ATOM 744 CB ALA A 50 -1.709 6.552 -4.910 1.00 0.00 C ATOM 0 H ALA A 50 0.336 4.664 -6.170 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.442 4.616 -5.443 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.647 7.060 -5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.672 6.311 -3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.873 7.205 -5.163 1.00 0.00 H new ATOM 847 N MET A 58 -8.832 3.444 -10.617 1.00 0.00 N ATOM 848 CA MET A 58 -8.360 3.914 -9.321 1.00 0.00 C ATOM 849 C MET A 58 -8.072 2.744 -8.384 1.00 0.00 C ATOM 850 O MET A 58 -8.992 2.113 -7.865 1.00 0.00 O ATOM 851 CB MET A 58 -9.393 4.847 -8.687 1.00 0.00 C ATOM 852 CG MET A 58 -9.964 5.870 -9.656 1.00 0.00 C ATOM 853 SD MET A 58 -10.071 7.523 -8.941 1.00 0.00 S ATOM 854 CE MET A 58 -8.397 8.108 -9.190 1.00 0.00 C ATOM 0 HA MET A 58 -7.432 4.463 -9.480 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.209 4.249 -8.280 1.00 0.00 H new ATOM 0 HB3 MET A 58 -8.932 5.370 -7.849 1.00 0.00 H new ATOM 0 HG2 MET A 58 -9.341 5.905 -10.550 1.00 0.00 H new ATOM 0 HG3 MET A 58 -10.957 5.550 -9.972 1.00 0.00 H new ATOM 0 HE1 MET A 58 -8.343 9.169 -8.947 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.718 7.553 -8.544 1.00 0.00 H new ATOM 0 HE3 MET A 58 -8.110 7.959 -10.231 1.00 0.00 H new ATOM 864 N MET A 59 -6.790 2.465 -8.169 1.00 0.00 N ATOM 865 CA MET A 59 -6.378 1.376 -7.292 1.00 0.00 C ATOM 866 C MET A 59 -5.087 1.728 -6.562 1.00 0.00 C ATOM 867 O MET A 59 -4.169 2.303 -7.148 1.00 0.00 O ATOM 868 CB MET A 59 -6.176 0.088 -8.095 1.00 0.00 C ATOM 869 CG MET A 59 -7.453 -0.464 -8.708 1.00 0.00 C ATOM 870 SD MET A 59 -7.152 -1.382 -10.230 1.00 0.00 S ATOM 871 CE MET A 59 -6.287 -0.152 -11.203 1.00 0.00 C ATOM 0 H MET A 59 -6.017 2.980 -8.592 1.00 0.00 H new ATOM 0 HA MET A 59 -7.168 1.221 -6.557 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.455 0.277 -8.891 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.740 -0.670 -7.444 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.946 -1.116 -7.986 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.138 0.359 -8.914 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.533 -0.283 -12.257 1.00 0.00 H new ATOM 0 HE2 MET A 59 -6.588 0.845 -10.881 1.00 0.00 H new ATOM 0 HE3 MET A 59 -5.212 -0.269 -11.065 1.00 0.00 H new ATOM 881 N LEU A 60 -5.019 1.377 -5.282 1.00 0.00 N ATOM 882 CA LEU A 60 -3.831 1.655 -4.480 1.00 0.00 C ATOM 883 C LEU A 60 -3.097 0.365 -4.127 1.00 0.00 C ATOM 884 O LEU A 60 -3.639 -0.730 -4.274 1.00 0.00 O ATOM 885 CB LEU A 60 -4.213 2.399 -3.199 1.00 0.00 C ATOM 886 CG LEU A 60 -4.215 3.925 -3.312 1.00 0.00 C ATOM 887 CD1 LEU A 60 -5.306 4.389 -4.265 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.392 4.561 -1.941 1.00 0.00 C ATOM 0 H LEU A 60 -5.768 0.902 -4.779 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.166 2.283 -5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.205 2.072 -2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.521 2.109 -2.409 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.253 4.242 -3.715 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.292 5.477 -4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.132 3.962 -5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.277 4.061 -3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.391 5.646 -2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.339 4.237 -1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.573 4.256 -1.290 1.00 0.00 H new ATOM 900 N ARG A 61 -1.861 0.504 -3.659 1.00 0.00 N ATOM 901 CA ARG A 61 -1.050 -0.648 -3.281 1.00 0.00 C ATOM 902 C ARG A 61 0.024 -0.248 -2.275 1.00 0.00 C ATOM 903 O ARG A 61 0.570 0.850 -2.340 1.00 0.00 O ATOM 904 CB ARG A 61 -0.396 -1.268 -4.518 1.00 0.00 C ATOM 905 CG ARG A 61 -1.386 -1.924 -5.465 1.00 0.00 C ATOM 906 CD ARG A 61 -0.723 -3.013 -6.294 1.00 0.00 C ATOM 907 NE ARG A 61 0.117 -2.459 -7.353 1.00 0.00 N ATOM 908 CZ ARG A 61 0.834 -3.202 -8.195 1.00 0.00 C ATOM 909 NH1 ARG A 61 0.816 -4.525 -8.103 1.00 0.00 N ATOM 910 NH2 ARG A 61 1.572 -2.618 -9.130 1.00 0.00 N ATOM 0 H ARG A 61 -1.398 1.404 -3.532 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.706 -1.385 -2.817 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.151 -0.494 -5.056 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.335 -2.011 -4.198 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.210 -2.351 -4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.813 -1.170 -6.127 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.118 -3.645 -5.644 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.489 -3.650 -6.735 1.00 0.00 H new ATOM 0 HE ARG A 61 0.157 -1.445 -7.454 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.251 -4.979 -7.385 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.367 -5.089 -8.750 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.590 -1.601 -9.204 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.121 -3.186 -9.775 1.00 0.00 H new ATOM 924 N LEU A 62 0.322 -1.142 -1.340 1.00 0.00 N ATOM 925 CA LEU A 62 1.334 -0.869 -0.325 1.00 0.00 C ATOM 926 C LEU A 62 2.363 -1.993 -0.257 1.00 0.00 C ATOM 927 O LEU A 62 2.015 -3.157 -0.054 1.00 0.00 O ATOM 928 CB LEU A 62 0.678 -0.680 1.042 1.00 0.00 C ATOM 929 CG LEU A 62 0.224 0.749 1.352 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.264 0.887 1.122 1.00 0.00 C ATOM 931 CD2 LEU A 62 0.571 1.134 2.783 1.00 0.00 C ATOM 0 H LEU A 62 -0.120 -2.058 -1.263 1.00 0.00 H new ATOM 0 HA LEU A 62 1.849 0.050 -0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.186 -1.342 1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.381 -0.996 1.812 1.00 0.00 H new ATOM 0 HG LEU A 62 0.752 1.425 0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.574 1.908 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.494 0.658 0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.798 0.195 1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.238 2.154 2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.074 0.452 3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.650 1.072 2.925 1.00 0.00 H new ATOM 943 N ILE A 63 3.634 -1.637 -0.423 1.00 0.00 N ATOM 944 CA ILE A 63 4.714 -2.615 -0.374 1.00 0.00 C ATOM 945 C ILE A 63 5.199 -2.816 1.057 1.00 0.00 C ATOM 946 O ILE A 63 5.511 -1.855 1.758 1.00 0.00 O ATOM 947 CB ILE A 63 5.904 -2.182 -1.258 1.00 0.00 C ATOM 948 CG1 ILE A 63 5.462 -2.072 -2.716 1.00 0.00 C ATOM 949 CG2 ILE A 63 7.059 -3.165 -1.127 1.00 0.00 C ATOM 950 CD1 ILE A 63 4.857 -3.348 -3.253 1.00 0.00 C ATOM 0 H ILE A 63 3.940 -0.679 -0.592 1.00 0.00 H new ATOM 0 HA ILE A 63 4.315 -3.555 -0.756 1.00 0.00 H new ATOM 0 HB ILE A 63 6.249 -1.205 -0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.734 -1.266 -2.808 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.320 -1.798 -3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.886 -2.841 -1.758 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.388 -3.203 -0.089 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.731 -4.156 -1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.564 -3.202 -4.293 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.590 -4.152 -3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.979 -3.611 -2.663 1.00 0.00 H new ATOM 962 N GLY A 64 5.260 -4.074 1.483 1.00 0.00 N ATOM 963 CA GLY A 64 5.708 -4.381 2.829 1.00 0.00 C ATOM 964 C GLY A 64 7.219 -4.399 2.948 1.00 0.00 C ATOM 965 O GLY A 64 7.927 -4.259 1.951 1.00 0.00 O ATOM 0 H GLY A 64 5.007 -4.886 0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.301 -3.644 3.521 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.312 -5.351 3.128 1.00 0.00 H new ATOM 969 N LYS A 65 7.715 -4.573 4.169 1.00 0.00 N ATOM 970 CA LYS A 65 9.154 -4.609 4.408 1.00 0.00 C ATOM 971 C LYS A 65 9.727 -5.976 4.051 1.00 0.00 C ATOM 972 O LYS A 65 9.131 -7.009 4.353 1.00 0.00 O ATOM 973 CB LYS A 65 9.462 -4.278 5.869 1.00 0.00 C ATOM 974 CG LYS A 65 10.584 -3.265 6.041 1.00 0.00 C ATOM 975 CD LYS A 65 10.307 -1.987 5.263 1.00 0.00 C ATOM 976 CE LYS A 65 10.687 -0.753 6.066 1.00 0.00 C ATOM 977 NZ LYS A 65 12.118 -0.385 5.877 1.00 0.00 N ATOM 0 H LYS A 65 7.144 -4.691 5.006 1.00 0.00 H new ATOM 0 HA LYS A 65 9.622 -3.859 3.770 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.560 -3.892 6.343 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.729 -5.196 6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.704 -3.029 7.098 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.524 -3.701 5.703 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.867 -2.000 4.328 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.250 -1.941 5.001 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.055 0.083 5.767 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.496 -0.935 7.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.363 0.397 6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.719 -1.207 6.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.273 -0.088 4.892 1.00 0.00 H new ATOM 1007 N ASP A 67 13.911 -7.544 3.062 1.00 0.00 N ATOM 1008 CA ASP A 67 15.230 -7.732 3.655 1.00 0.00 C ATOM 1009 C ASP A 67 16.287 -7.920 2.571 1.00 0.00 C ATOM 1010 O ASP A 67 16.358 -8.973 1.937 1.00 0.00 O ATOM 1011 CB ASP A 67 15.227 -8.938 4.596 1.00 0.00 C ATOM 1012 CG ASP A 67 16.081 -8.714 5.828 1.00 0.00 C ATOM 1013 OD1 ASP A 67 15.714 -7.855 6.657 1.00 0.00 O ATOM 1014 OD2 ASP A 67 17.118 -9.396 5.963 1.00 0.00 O ATOM 0 HA ASP A 67 15.474 -6.838 4.228 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.203 -9.154 4.902 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.591 -9.814 4.060 1.00 0.00 H new ATOM 1019 N GLU A 68 17.107 -6.895 2.365 1.00 0.00 N ATOM 1020 CA GLU A 68 18.160 -6.949 1.357 1.00 0.00 C ATOM 1021 C GLU A 68 19.504 -7.297 1.989 1.00 0.00 C ATOM 1022 O GLU A 68 20.557 -6.898 1.491 1.00 0.00 O ATOM 1023 CB GLU A 68 18.261 -5.611 0.623 1.00 0.00 C ATOM 1024 CG GLU A 68 17.071 -5.320 -0.278 1.00 0.00 C ATOM 1025 CD GLU A 68 16.107 -4.322 0.334 1.00 0.00 C ATOM 1026 OE1 GLU A 68 16.040 -4.249 1.578 1.00 0.00 O ATOM 1027 OE2 GLU A 68 15.419 -3.615 -0.432 1.00 0.00 O ATOM 0 H GLU A 68 17.063 -6.017 2.882 1.00 0.00 H new ATOM 0 HA GLU A 68 17.903 -7.731 0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.355 -4.810 1.356 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.171 -5.603 0.023 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.429 -4.935 -1.233 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.542 -6.250 -0.487 1.00 0.00 H new ATOM 1034 N SER A 69 19.461 -8.043 3.088 1.00 0.00 N ATOM 1035 CA SER A 69 20.675 -8.446 3.787 1.00 0.00 C ATOM 1036 C SER A 69 20.715 -9.957 3.982 1.00 0.00 C ATOM 1037 O SER A 69 21.260 -10.452 4.970 1.00 0.00 O ATOM 1038 CB SER A 69 20.765 -7.742 5.142 1.00 0.00 C ATOM 1039 OG SER A 69 22.108 -7.422 5.464 1.00 0.00 O ATOM 0 H SER A 69 18.598 -8.381 3.514 1.00 0.00 H new ATOM 0 HA SER A 69 21.530 -8.155 3.176 1.00 0.00 H new ATOM 0 HB2 SER A 69 20.166 -6.832 5.123 1.00 0.00 H new ATOM 0 HB3 SER A 69 20.345 -8.383 5.917 1.00 0.00 H new ATOM 0 HG SER A 69 22.137 -6.972 6.334 1.00 0.00 H new ATOM 1045 N LYS A 70 20.134 -10.687 3.035 1.00 0.00 N ATOM 1046 CA LYS A 70 20.104 -12.143 3.103 1.00 0.00 C ATOM 1047 C LYS A 70 20.376 -12.759 1.734 1.00 0.00 C ATOM 1048 O LYS A 70 21.360 -13.476 1.550 1.00 0.00 O ATOM 1049 CB LYS A 70 18.749 -12.622 3.629 1.00 0.00 C ATOM 1050 CG LYS A 70 18.554 -12.379 5.117 1.00 0.00 C ATOM 1051 CD LYS A 70 19.392 -13.333 5.954 1.00 0.00 C ATOM 1052 CE LYS A 70 20.543 -12.613 6.639 1.00 0.00 C ATOM 1053 NZ LYS A 70 21.830 -12.802 5.912 1.00 0.00 N ATOM 0 H LYS A 70 19.678 -10.294 2.212 1.00 0.00 H new ATOM 0 HA LYS A 70 20.888 -12.465 3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 70 17.956 -12.115 3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 70 18.646 -13.688 3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 70 18.824 -11.351 5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.501 -12.500 5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.761 -13.809 6.705 1.00 0.00 H new ATOM 0 HD3 LYS A 70 19.785 -14.126 5.318 1.00 0.00 H new ATOM 0 HE2 LYS A 70 20.317 -11.549 6.706 1.00 0.00 H new ATOM 0 HE3 LYS A 70 20.645 -12.982 7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 22.594 -12.973 6.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 21.750 -13.617 5.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 22.046 -11.947 5.360 1.00 0.00 H new ATOM 1067 N LYS A 71 19.498 -12.473 0.777 1.00 0.00 N ATOM 1068 CA LYS A 71 19.642 -12.999 -0.577 1.00 0.00 C ATOM 1069 C LYS A 71 19.537 -14.521 -0.583 1.00 0.00 C ATOM 1070 O LYS A 71 20.081 -15.195 0.291 1.00 0.00 O ATOM 1071 CB LYS A 71 20.981 -12.564 -1.178 1.00 0.00 C ATOM 1072 CG LYS A 71 20.883 -11.320 -2.046 1.00 0.00 C ATOM 1073 CD LYS A 71 21.391 -11.578 -3.455 1.00 0.00 C ATOM 1074 CE LYS A 71 20.575 -10.819 -4.490 1.00 0.00 C ATOM 1075 NZ LYS A 71 21.062 -9.423 -4.665 1.00 0.00 N ATOM 0 H LYS A 71 18.679 -11.880 0.914 1.00 0.00 H new ATOM 0 HA LYS A 71 18.833 -12.595 -1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 71 21.689 -12.378 -0.370 1.00 0.00 H new ATOM 0 HB3 LYS A 71 21.385 -13.382 -1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 71 19.846 -10.986 -2.088 1.00 0.00 H new ATOM 0 HG3 LYS A 71 21.460 -10.513 -1.593 1.00 0.00 H new ATOM 0 HD2 LYS A 71 22.437 -11.281 -3.526 1.00 0.00 H new ATOM 0 HD3 LYS A 71 21.348 -12.646 -3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 71 20.622 -11.343 -5.445 1.00 0.00 H new ATOM 0 HE3 LYS A 71 19.528 -10.803 -4.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 20.480 -8.939 -5.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 20.993 -8.915 -3.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 22.053 -9.438 -4.979 1.00 0.00 H new ATOM 1089 N ARG A 72 18.833 -15.057 -1.576 1.00 0.00 N ATOM 1090 CA ARG A 72 18.657 -16.499 -1.696 1.00 0.00 C ATOM 1091 C ARG A 72 18.415 -16.900 -3.148 1.00 0.00 C ATOM 1092 O ARG A 72 18.566 -16.087 -4.060 1.00 0.00 O ATOM 1093 CB ARG A 72 17.495 -16.968 -0.817 1.00 0.00 C ATOM 1094 CG ARG A 72 16.133 -16.495 -1.301 1.00 0.00 C ATOM 1095 CD ARG A 72 15.828 -15.084 -0.825 1.00 0.00 C ATOM 1096 NE ARG A 72 14.469 -14.965 -0.304 1.00 0.00 N ATOM 1097 CZ ARG A 72 14.105 -15.358 0.915 1.00 0.00 C ATOM 1098 NH1 ARG A 72 14.994 -15.897 1.740 1.00 0.00 N ATOM 1099 NH2 ARG A 72 12.847 -15.212 1.311 1.00 0.00 N ATOM 0 H ARG A 72 18.376 -14.514 -2.308 1.00 0.00 H new ATOM 0 HA ARG A 72 19.573 -16.982 -1.357 1.00 0.00 H new ATOM 0 HB2 ARG A 72 17.498 -18.057 -0.776 1.00 0.00 H new ATOM 0 HB3 ARG A 72 17.653 -16.611 0.201 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.102 -16.527 -2.390 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.362 -17.176 -0.941 1.00 0.00 H new ATOM 0 HD2 ARG A 72 16.540 -14.801 -0.049 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.962 -14.386 -1.651 1.00 0.00 H new ATOM 0 HE ARG A 72 13.757 -14.557 -0.909 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.963 -16.012 1.442 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.709 -16.196 2.673 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.159 -14.799 0.682 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.568 -15.513 2.245 1.00 0.00 H new ATOM 1113 N LYS A 73 18.038 -18.158 -3.356 1.00 0.00 N ATOM 1114 CA LYS A 73 17.772 -18.664 -4.697 1.00 0.00 C ATOM 1115 C LYS A 73 16.282 -18.605 -5.014 1.00 0.00 C ATOM 1116 O LYS A 73 15.506 -17.989 -4.283 1.00 0.00 O ATOM 1117 CB LYS A 73 18.280 -20.102 -4.834 1.00 0.00 C ATOM 1118 CG LYS A 73 19.635 -20.338 -4.184 1.00 0.00 C ATOM 1119 CD LYS A 73 20.766 -19.795 -5.041 1.00 0.00 C ATOM 1120 CE LYS A 73 21.205 -18.416 -4.577 1.00 0.00 C ATOM 1121 NZ LYS A 73 22.163 -17.788 -5.529 1.00 0.00 N ATOM 0 H LYS A 73 17.910 -18.845 -2.613 1.00 0.00 H new ATOM 0 HA LYS A 73 18.302 -18.031 -5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 73 17.551 -20.779 -4.389 1.00 0.00 H new ATOM 0 HB3 LYS A 73 18.346 -20.355 -5.892 1.00 0.00 H new ATOM 0 HG2 LYS A 73 19.658 -19.860 -3.204 1.00 0.00 H new ATOM 0 HG3 LYS A 73 19.781 -21.406 -4.022 1.00 0.00 H new ATOM 0 HD2 LYS A 73 21.613 -20.480 -5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 73 20.444 -19.744 -6.081 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.330 -17.775 -4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 73 21.669 -18.495 -3.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 23.049 -17.563 -5.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 22.361 -18.448 -6.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 21.749 -16.914 -5.912 1.00 0.00 H new ATOM 1135 N ASP A 74 15.886 -19.249 -6.109 1.00 0.00 N ATOM 1136 CA ASP A 74 14.485 -19.267 -6.517 1.00 0.00 C ATOM 1137 C ASP A 74 13.865 -20.644 -6.301 1.00 0.00 C ATOM 1138 O ASP A 74 12.861 -20.988 -6.924 1.00 0.00 O ATOM 1139 CB ASP A 74 14.357 -18.863 -7.988 1.00 0.00 C ATOM 1140 CG ASP A 74 12.958 -18.398 -8.340 1.00 0.00 C ATOM 1141 OD1 ASP A 74 12.015 -18.731 -7.590 1.00 0.00 O ATOM 1142 OD2 ASP A 74 12.804 -17.701 -9.364 1.00 0.00 O ATOM 0 H ASP A 74 16.513 -19.763 -6.727 1.00 0.00 H new ATOM 0 HA ASP A 74 13.946 -18.549 -5.898 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.068 -18.066 -8.206 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.625 -19.710 -8.619 1.00 0.00 H new ATOM 1147 N ASN A 75 14.466 -21.428 -5.407 1.00 0.00 N ATOM 1148 CA ASN A 75 13.973 -22.771 -5.100 1.00 0.00 C ATOM 1149 C ASN A 75 14.280 -23.763 -6.224 1.00 0.00 C ATOM 1150 O ASN A 75 13.936 -24.941 -6.127 1.00 0.00 O ATOM 1151 CB ASN A 75 12.465 -22.737 -4.842 1.00 0.00 C ATOM 1152 CG ASN A 75 12.025 -23.790 -3.844 1.00 0.00 C ATOM 1153 OD1 ASN A 75 11.536 -23.470 -2.761 1.00 0.00 O ATOM 1154 ND2 ASN A 75 12.196 -25.057 -4.206 1.00 0.00 N ATOM 0 H ASN A 75 15.297 -21.156 -4.881 1.00 0.00 H new ATOM 0 HA ASN A 75 14.491 -23.109 -4.202 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.185 -21.751 -4.473 1.00 0.00 H new ATOM 0 HB3 ASN A 75 11.935 -22.888 -5.782 1.00 0.00 H new ATOM 0 HD21 ASN A 75 11.918 -25.809 -3.576 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.606 -25.277 -5.114 1.00 0.00 H new ATOM 1161 N GLU A 76 14.924 -23.289 -7.288 1.00 0.00 N ATOM 1162 CA GLU A 76 15.264 -24.147 -8.417 1.00 0.00 C ATOM 1163 C GLU A 76 16.763 -24.142 -8.665 1.00 0.00 C ATOM 1164 O GLU A 76 17.385 -25.191 -8.836 1.00 0.00 O ATOM 1165 CB GLU A 76 14.530 -23.684 -9.677 1.00 0.00 C ATOM 1166 CG GLU A 76 13.146 -23.117 -9.408 1.00 0.00 C ATOM 1167 CD GLU A 76 12.309 -22.997 -10.666 1.00 0.00 C ATOM 1168 OE1 GLU A 76 12.077 -24.031 -11.326 1.00 0.00 O ATOM 1169 OE2 GLU A 76 11.887 -21.867 -10.992 1.00 0.00 O ATOM 0 H GLU A 76 15.220 -22.318 -7.391 1.00 0.00 H new ATOM 0 HA GLU A 76 14.953 -25.163 -8.175 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.132 -22.926 -10.179 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.440 -24.526 -10.364 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.629 -23.756 -8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.244 -22.134 -8.946 1.00 0.00 H new ATOM 1176 N GLY A 77 17.330 -22.950 -8.680 1.00 0.00 N ATOM 1177 CA GLY A 77 18.755 -22.802 -8.906 1.00 0.00 C ATOM 1178 C GLY A 77 19.104 -21.485 -9.572 1.00 0.00 C ATOM 1179 O GLY A 77 19.928 -21.443 -10.485 1.00 0.00 O ATOM 0 H GLY A 77 16.828 -22.074 -8.539 1.00 0.00 H new ATOM 0 HA2 GLY A 77 19.280 -22.874 -7.953 1.00 0.00 H new ATOM 0 HA3 GLY A 77 19.108 -23.625 -9.528 1.00 0.00 H new ATOM 1183 N ASN A 78 18.476 -20.407 -9.113 1.00 0.00 N ATOM 1184 CA ASN A 78 18.723 -19.082 -9.670 1.00 0.00 C ATOM 1185 C ASN A 78 19.121 -18.101 -8.572 1.00 0.00 C ATOM 1186 O ASN A 78 19.181 -18.461 -7.398 1.00 0.00 O ATOM 1187 CB ASN A 78 17.481 -18.572 -10.401 1.00 0.00 C ATOM 1188 CG ASN A 78 17.279 -19.254 -11.740 1.00 0.00 C ATOM 1189 OD1 ASN A 78 17.472 -18.647 -12.794 1.00 0.00 O ATOM 1190 ND2 ASN A 78 16.887 -20.522 -11.705 1.00 0.00 N ATOM 0 H ASN A 78 17.792 -20.425 -8.356 1.00 0.00 H new ATOM 0 HA ASN A 78 19.545 -19.160 -10.381 1.00 0.00 H new ATOM 0 HB2 ASN A 78 16.602 -18.735 -9.777 1.00 0.00 H new ATOM 0 HB3 ASN A 78 17.568 -17.496 -10.553 1.00 0.00 H new ATOM 0 HD21 ASN A 78 16.734 -21.033 -12.575 1.00 0.00 H new ATOM 0 HD22 ASN A 78 16.739 -20.986 -10.809 1.00 0.00 H new ATOM 1197 N GLU A 79 19.389 -16.859 -8.963 1.00 0.00 N ATOM 1198 CA GLU A 79 19.780 -15.828 -8.010 1.00 0.00 C ATOM 1199 C GLU A 79 18.822 -14.642 -8.066 1.00 0.00 C ATOM 1200 O GLU A 79 18.814 -13.883 -9.035 1.00 0.00 O ATOM 1201 CB GLU A 79 21.209 -15.356 -8.293 1.00 0.00 C ATOM 1202 CG GLU A 79 22.186 -16.495 -8.539 1.00 0.00 C ATOM 1203 CD GLU A 79 23.532 -16.257 -7.883 1.00 0.00 C ATOM 1204 OE1 GLU A 79 23.570 -15.589 -6.828 1.00 0.00 O ATOM 1205 OE2 GLU A 79 24.550 -16.739 -8.425 1.00 0.00 O ATOM 0 H GLU A 79 19.342 -16.543 -9.932 1.00 0.00 H new ATOM 0 HA GLU A 79 19.738 -16.260 -7.010 1.00 0.00 H new ATOM 0 HB2 GLU A 79 21.201 -14.700 -9.164 1.00 0.00 H new ATOM 0 HB3 GLU A 79 21.561 -14.762 -7.450 1.00 0.00 H new ATOM 0 HG2 GLU A 79 21.760 -17.424 -8.159 1.00 0.00 H new ATOM 0 HG3 GLU A 79 22.326 -16.624 -9.612 1.00 0.00 H new ATOM 1212 N VAL A 80 18.015 -14.490 -7.022 1.00 0.00 N ATOM 1213 CA VAL A 80 17.052 -13.397 -6.954 1.00 0.00 C ATOM 1214 C VAL A 80 17.121 -12.686 -5.605 1.00 0.00 C ATOM 1215 O VAL A 80 17.969 -12.998 -4.770 1.00 0.00 O ATOM 1216 CB VAL A 80 15.613 -13.899 -7.191 1.00 0.00 C ATOM 1217 CG1 VAL A 80 15.511 -14.615 -8.528 1.00 0.00 C ATOM 1218 CG2 VAL A 80 15.165 -14.809 -6.055 1.00 0.00 C ATOM 0 H VAL A 80 18.008 -15.109 -6.212 1.00 0.00 H new ATOM 0 HA VAL A 80 17.315 -12.693 -7.744 1.00 0.00 H new ATOM 0 HB VAL A 80 14.948 -13.035 -7.214 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.489 -14.962 -8.678 1.00 0.00 H new ATOM 0 HG12 VAL A 80 15.782 -13.929 -9.330 1.00 0.00 H new ATOM 0 HG13 VAL A 80 16.189 -15.469 -8.536 1.00 0.00 H new ATOM 0 HG21 VAL A 80 14.147 -15.151 -6.243 1.00 0.00 H new ATOM 0 HG22 VAL A 80 15.832 -15.669 -5.993 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.195 -14.259 -5.115 1.00 0.00 H new ATOM 1228 N VAL A 81 16.219 -11.733 -5.400 1.00 0.00 N ATOM 1229 CA VAL A 81 16.173 -10.980 -4.153 1.00 0.00 C ATOM 1230 C VAL A 81 14.799 -11.103 -3.495 1.00 0.00 C ATOM 1231 O VAL A 81 13.773 -11.049 -4.173 1.00 0.00 O ATOM 1232 CB VAL A 81 16.490 -9.490 -4.382 1.00 0.00 C ATOM 1233 CG1 VAL A 81 16.573 -8.749 -3.056 1.00 0.00 C ATOM 1234 CG2 VAL A 81 17.782 -9.334 -5.170 1.00 0.00 C ATOM 0 H VAL A 81 15.510 -11.464 -6.082 1.00 0.00 H new ATOM 0 HA VAL A 81 16.932 -11.404 -3.495 1.00 0.00 H new ATOM 0 HB VAL A 81 15.680 -9.052 -4.965 1.00 0.00 H new ATOM 0 HG11 VAL A 81 16.798 -7.698 -3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 81 15.620 -8.830 -2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 81 17.361 -9.187 -2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 81 17.990 -8.275 -5.322 1.00 0.00 H new ATOM 0 HG22 VAL A 81 18.603 -9.789 -4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 81 17.680 -9.826 -6.137 1.00 0.00 H new ATOM 1244 N PRO A 82 14.758 -11.270 -2.161 1.00 0.00 N ATOM 1245 CA PRO A 82 13.497 -11.400 -1.423 1.00 0.00 C ATOM 1246 C PRO A 82 12.505 -10.294 -1.771 1.00 0.00 C ATOM 1247 O PRO A 82 12.818 -9.109 -1.661 1.00 0.00 O ATOM 1248 CB PRO A 82 13.932 -11.289 0.039 1.00 0.00 C ATOM 1249 CG PRO A 82 15.343 -11.765 0.050 1.00 0.00 C ATOM 1250 CD PRO A 82 15.931 -11.346 -1.269 1.00 0.00 C ATOM 0 HA PRO A 82 12.979 -12.329 -1.659 1.00 0.00 H new ATOM 0 HB2 PRO A 82 13.857 -10.262 0.398 1.00 0.00 H new ATOM 0 HB3 PRO A 82 13.303 -11.899 0.687 1.00 0.00 H new ATOM 0 HG2 PRO A 82 15.896 -11.327 0.881 1.00 0.00 H new ATOM 0 HG3 PRO A 82 15.389 -12.847 0.172 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.441 -10.386 -1.194 1.00 0.00 H new ATOM 0 HD3 PRO A 82 16.663 -12.068 -1.630 1.00 0.00 H new ATOM 1258 N LYS A 83 11.311 -10.691 -2.196 1.00 0.00 N ATOM 1259 CA LYS A 83 10.273 -9.733 -2.563 1.00 0.00 C ATOM 1260 C LYS A 83 9.392 -9.391 -1.361 1.00 0.00 C ATOM 1261 O LYS A 83 9.061 -10.262 -0.558 1.00 0.00 O ATOM 1262 CB LYS A 83 9.411 -10.294 -3.696 1.00 0.00 C ATOM 1263 CG LYS A 83 10.220 -10.923 -4.820 1.00 0.00 C ATOM 1264 CD LYS A 83 10.309 -12.433 -4.665 1.00 0.00 C ATOM 1265 CE LYS A 83 9.315 -13.144 -5.569 1.00 0.00 C ATOM 1266 NZ LYS A 83 8.765 -14.372 -4.930 1.00 0.00 N ATOM 0 H LYS A 83 11.037 -11.669 -2.295 1.00 0.00 H new ATOM 0 HA LYS A 83 10.762 -8.820 -2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.730 -11.040 -3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.797 -9.492 -4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.762 -10.681 -5.779 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.223 -10.497 -4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.320 -12.765 -4.901 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.118 -12.705 -3.627 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.498 -12.466 -5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.802 -13.410 -6.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.091 -14.828 -5.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.542 -15.030 -4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.278 -14.116 -4.048 1.00 0.00 H new ATOM 1280 N PRO A 84 9.003 -8.110 -1.221 1.00 0.00 N ATOM 1281 CA PRO A 84 8.161 -7.655 -0.113 1.00 0.00 C ATOM 1282 C PRO A 84 6.686 -7.978 -0.327 1.00 0.00 C ATOM 1283 O PRO A 84 6.304 -8.534 -1.358 1.00 0.00 O ATOM 1284 CB PRO A 84 8.377 -6.148 -0.120 1.00 0.00 C ATOM 1285 CG PRO A 84 8.609 -5.825 -1.549 1.00 0.00 C ATOM 1286 CD PRO A 84 9.352 -7.001 -2.130 1.00 0.00 C ATOM 0 HA PRO A 84 8.422 -8.142 0.827 1.00 0.00 H new ATOM 0 HB2 PRO A 84 7.509 -5.619 0.273 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.230 -5.864 0.497 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.665 -5.665 -2.070 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.190 -4.908 -1.652 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.040 -7.207 -3.154 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.427 -6.825 -2.154 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.278 -5.224 -0.798 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.715 -5.190 -0.553 1.00 0.00 C ATOM 1337 C HIS A 87 -2.421 -4.448 -1.682 1.00 0.00 C ATOM 1338 O HIS A 87 -2.263 -3.238 -1.832 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.015 -4.512 0.787 1.00 0.00 C ATOM 1340 CG HIS A 87 -1.077 -4.908 1.886 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -0.932 -6.209 2.318 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -0.233 -4.166 2.641 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -0.039 -6.250 3.292 1.00 0.00 C ATOM 1344 NE2 HIS A 87 0.399 -5.023 3.506 1.00 0.00 N ATOM 0 HA HIS A 87 -2.084 -6.215 -0.515 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.970 -3.431 0.655 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.035 -4.755 1.087 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.085 -3.098 2.575 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.278 -7.136 3.822 1.00 0.00 H new ATOM 0 HE2 HIS A 87 1.095 -4.755 4.202 1.00 0.00 H new ATOM 1353 N MET A 88 -3.188 -5.180 -2.481 1.00 0.00 N ATOM 1354 CA MET A 88 -3.901 -4.584 -3.605 1.00 0.00 C ATOM 1355 C MET A 88 -5.261 -4.043 -3.182 1.00 0.00 C ATOM 1356 O MET A 88 -6.163 -4.804 -2.831 1.00 0.00 O ATOM 1357 CB MET A 88 -4.075 -5.608 -4.727 1.00 0.00 C ATOM 1358 CG MET A 88 -4.731 -5.034 -5.974 1.00 0.00 C ATOM 1359 SD MET A 88 -3.645 -5.065 -7.413 1.00 0.00 S ATOM 1360 CE MET A 88 -3.681 -3.342 -7.902 1.00 0.00 C ATOM 0 H MET A 88 -3.332 -6.184 -2.372 1.00 0.00 H new ATOM 0 HA MET A 88 -3.303 -3.748 -3.968 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.099 -6.013 -4.993 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.676 -6.440 -4.360 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.636 -5.599 -6.196 1.00 0.00 H new ATOM 0 HG3 MET A 88 -5.037 -4.006 -5.778 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.816 -3.123 -8.528 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.594 -3.142 -8.462 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.655 -2.711 -7.014 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.403 -2.723 -3.228 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.654 -2.071 -2.864 1.00 0.00 C ATOM 1372 C PHE A 89 -7.258 -1.366 -4.074 1.00 0.00 C ATOM 1373 O PHE A 89 -6.573 -0.624 -4.776 1.00 0.00 O ATOM 1374 CB PHE A 89 -6.423 -1.066 -1.734 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.990 -1.704 -0.444 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.895 -2.410 0.333 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.678 -1.598 -0.010 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.500 -2.998 1.519 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.277 -2.183 1.176 1.00 0.00 C ATOM 1380 CZ PHE A 89 -5.190 -2.884 1.942 1.00 0.00 C ATOM 0 H PHE A 89 -4.663 -2.082 -3.515 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.351 -2.834 -2.518 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.666 -0.347 -2.047 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.342 -0.506 -1.563 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.921 -2.501 0.007 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.961 -1.052 -0.605 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.215 -3.546 2.115 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.252 -2.093 1.504 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.879 -3.342 2.870 1.00 0.00 H new ATOM 1390 N SER A 90 -8.542 -1.608 -4.318 1.00 0.00 N ATOM 1391 CA SER A 90 -9.228 -0.999 -5.452 1.00 0.00 C ATOM 1392 C SER A 90 -10.081 0.186 -5.011 1.00 0.00 C ATOM 1393 O SER A 90 -11.035 0.031 -4.251 1.00 0.00 O ATOM 1394 CB SER A 90 -10.103 -2.034 -6.162 1.00 0.00 C ATOM 1395 OG SER A 90 -9.657 -3.351 -5.890 1.00 0.00 O ATOM 0 H SER A 90 -9.127 -2.219 -3.748 1.00 0.00 H new ATOM 0 HA SER A 90 -8.469 -0.635 -6.144 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.138 -1.923 -5.839 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.084 -1.855 -7.237 1.00 0.00 H new ATOM 0 HG SER A 90 -10.233 -3.994 -6.354 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.728 1.371 -5.498 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.461 2.586 -5.160 1.00 0.00 C ATOM 1403 C PHE A 91 -11.535 2.875 -6.203 1.00 0.00 C ATOM 1404 O PHE A 91 -11.438 2.430 -7.347 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.499 3.770 -5.054 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.713 3.788 -3.774 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -8.125 2.632 -3.289 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.563 4.963 -3.056 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.405 2.646 -2.112 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.845 4.983 -1.876 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.264 3.823 -1.403 1.00 0.00 C ATOM 0 H PHE A 91 -8.939 1.516 -6.128 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.948 2.437 -4.196 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.807 3.743 -5.896 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.066 4.697 -5.137 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.231 1.708 -3.839 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.013 5.874 -3.423 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.952 1.737 -1.745 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.738 5.905 -1.324 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.701 3.836 -0.481 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.564 3.619 -5.804 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.655 3.957 -6.711 1.00 0.00 C ATOM 1423 C ASN A 92 -14.021 5.437 -6.621 1.00 0.00 C ATOM 1424 O ASN A 92 -15.117 5.836 -7.012 1.00 0.00 O ATOM 1425 CB ASN A 92 -14.884 3.100 -6.403 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.645 2.710 -7.655 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.769 3.499 -8.591 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.162 1.486 -7.676 1.00 0.00 N ATOM 0 H ASN A 92 -12.664 3.997 -4.862 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.315 3.753 -7.726 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.572 2.199 -5.875 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.547 3.648 -5.734 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.686 1.168 -8.491 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.035 0.865 -6.877 1.00 0.00 H new ATOM 1435 N ASN A 93 -13.100 6.248 -6.108 1.00 0.00 N ATOM 1436 CA ASN A 93 -13.338 7.681 -5.976 1.00 0.00 C ATOM 1437 C ASN A 93 -12.043 8.468 -6.161 1.00 0.00 C ATOM 1438 O ASN A 93 -10.967 8.011 -5.775 1.00 0.00 O ATOM 1439 CB ASN A 93 -13.957 7.996 -4.611 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.394 8.463 -4.723 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.774 9.416 -3.879 1.00 0.00 O flip ATOM 1442 ND2 ASN A 93 -16.156 7.974 -5.557 1.00 0.00 N flip ATOM 0 H ASN A 93 -12.186 5.938 -5.778 1.00 0.00 H new ATOM 0 HA ASN A 93 -14.036 7.981 -6.757 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.915 7.107 -3.982 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.365 8.766 -4.115 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -15.823 7.244 -6.186 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -17.121 8.299 -5.619 1.00 0.00 H new ATOM 1449 N ARG A 94 -12.156 9.651 -6.756 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.996 10.501 -6.995 1.00 0.00 C ATOM 1451 C ARG A 94 -10.577 11.222 -5.717 1.00 0.00 C ATOM 1452 O ARG A 94 -9.391 11.436 -5.473 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.303 11.524 -8.090 1.00 0.00 C ATOM 1454 CG ARG A 94 -12.625 12.247 -7.896 1.00 0.00 C ATOM 1455 CD ARG A 94 -12.708 13.496 -8.758 1.00 0.00 C ATOM 1456 NE ARG A 94 -11.647 14.450 -8.446 1.00 0.00 N ATOM 1457 CZ ARG A 94 -11.482 15.609 -9.078 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -12.308 15.964 -10.055 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -10.491 16.419 -8.730 1.00 0.00 N ATOM 0 H ARG A 94 -13.040 10.043 -7.082 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.173 9.865 -7.321 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.499 12.259 -8.124 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.314 11.018 -9.055 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.448 11.577 -8.145 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.742 12.519 -6.847 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.645 13.215 -9.809 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -13.678 13.972 -8.613 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.994 14.214 -7.699 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -13.074 15.347 -10.325 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.177 16.854 -10.536 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.855 16.153 -7.978 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.365 17.308 -9.215 1.00 0.00 H new ATOM 1473 N THR A 95 -11.561 11.602 -4.912 1.00 0.00 N ATOM 1474 CA THR A 95 -11.314 12.299 -3.674 1.00 0.00 C ATOM 1475 C THR A 95 -10.751 11.365 -2.607 1.00 0.00 C ATOM 1476 O THR A 95 -9.788 11.706 -1.920 1.00 0.00 O ATOM 1477 CB THR A 95 -12.617 12.916 -3.199 1.00 0.00 C ATOM 1478 OG1 THR A 95 -13.571 12.950 -4.248 1.00 0.00 O ATOM 1479 CG2 THR A 95 -12.456 14.320 -2.686 1.00 0.00 C ATOM 0 H THR A 95 -12.548 11.432 -5.106 1.00 0.00 H new ATOM 0 HA THR A 95 -10.569 13.076 -3.847 1.00 0.00 H new ATOM 0 HB THR A 95 -12.954 12.281 -2.380 1.00 0.00 H new ATOM 0 HG1 THR A 95 -14.404 13.350 -3.920 1.00 0.00 H new ATOM 0 HG21 THR A 95 -13.424 14.702 -2.362 1.00 0.00 H new ATOM 0 HG22 THR A 95 -11.765 14.322 -1.843 1.00 0.00 H new ATOM 0 HG23 THR A 95 -12.062 14.955 -3.480 1.00 0.00 H new ATOM 1487 N VAL A 96 -11.358 10.191 -2.468 1.00 0.00 N ATOM 1488 CA VAL A 96 -10.912 9.219 -1.476 1.00 0.00 C ATOM 1489 C VAL A 96 -9.441 8.871 -1.670 1.00 0.00 C ATOM 1490 O VAL A 96 -8.658 8.899 -0.720 1.00 0.00 O ATOM 1491 CB VAL A 96 -11.759 7.931 -1.516 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -11.597 7.214 -2.848 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.389 7.012 -0.361 1.00 0.00 C ATOM 0 H VAL A 96 -12.157 9.890 -3.027 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.041 9.685 -0.499 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.807 8.211 -1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.205 6.309 -2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.920 7.870 -3.656 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.550 6.948 -2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.997 6.108 -0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.335 6.744 -0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.570 7.524 0.584 1.00 0.00 H new ATOM 1503 N MET A 97 -9.064 8.556 -2.904 1.00 0.00 N ATOM 1504 CA MET A 97 -7.679 8.221 -3.208 1.00 0.00 C ATOM 1505 C MET A 97 -6.773 9.403 -2.907 1.00 0.00 C ATOM 1506 O MET A 97 -5.618 9.239 -2.515 1.00 0.00 O ATOM 1507 CB MET A 97 -7.534 7.816 -4.674 1.00 0.00 C ATOM 1508 CG MET A 97 -8.075 8.846 -5.651 1.00 0.00 C ATOM 1509 SD MET A 97 -6.861 10.112 -6.069 1.00 0.00 S ATOM 1510 CE MET A 97 -5.930 9.278 -7.351 1.00 0.00 C ATOM 0 H MET A 97 -9.694 8.526 -3.705 1.00 0.00 H new ATOM 0 HA MET A 97 -7.385 7.379 -2.581 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.480 7.642 -4.891 1.00 0.00 H new ATOM 0 HB3 MET A 97 -8.053 6.871 -4.833 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.397 8.342 -6.562 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.956 9.321 -5.221 1.00 0.00 H new ATOM 0 HE1 MET A 97 -4.868 9.484 -7.222 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.102 8.204 -7.285 1.00 0.00 H new ATOM 0 HE3 MET A 97 -6.253 9.638 -8.328 1.00 0.00 H new ATOM 1520 N ASP A 98 -7.316 10.594 -3.096 1.00 0.00 N ATOM 1521 CA ASP A 98 -6.579 11.827 -2.854 1.00 0.00 C ATOM 1522 C ASP A 98 -6.223 11.981 -1.377 1.00 0.00 C ATOM 1523 O ASP A 98 -5.106 12.374 -1.042 1.00 0.00 O ATOM 1524 CB ASP A 98 -7.396 13.033 -3.323 1.00 0.00 C ATOM 1525 CG ASP A 98 -6.965 13.526 -4.691 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -7.433 12.960 -5.701 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -6.160 14.479 -4.751 1.00 0.00 O ATOM 0 H ASP A 98 -8.273 10.735 -3.419 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.651 11.778 -3.423 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.452 12.764 -3.353 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.293 13.842 -2.599 1.00 0.00 H new ATOM 1532 N ASN A 99 -7.173 11.678 -0.493 1.00 0.00 N ATOM 1533 CA ASN A 99 -6.929 11.800 0.941 1.00 0.00 C ATOM 1534 C ASN A 99 -6.189 10.579 1.482 1.00 0.00 C ATOM 1535 O ASN A 99 -5.347 10.699 2.371 1.00 0.00 O ATOM 1536 CB ASN A 99 -8.244 12.021 1.701 1.00 0.00 C ATOM 1537 CG ASN A 99 -9.106 10.775 1.784 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -8.662 9.725 2.247 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -10.352 10.890 1.342 1.00 0.00 N ATOM 0 H ASN A 99 -8.107 11.351 -0.741 1.00 0.00 H new ATOM 0 HA ASN A 99 -6.293 12.671 1.098 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.019 12.366 2.710 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -8.810 12.814 1.212 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -10.982 10.089 1.379 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.680 11.780 0.966 1.00 0.00 H new ATOM 1546 N ILE A 100 -6.499 9.406 0.939 1.00 0.00 N ATOM 1547 CA ILE A 100 -5.850 8.174 1.372 1.00 0.00 C ATOM 1548 C ILE A 100 -4.363 8.201 1.033 1.00 0.00 C ATOM 1549 O ILE A 100 -3.513 8.009 1.903 1.00 0.00 O ATOM 1550 CB ILE A 100 -6.500 6.935 0.720 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -7.966 6.813 1.153 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.726 5.669 1.072 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -8.151 6.186 2.518 1.00 0.00 C ATOM 0 H ILE A 100 -7.193 9.283 0.201 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.975 8.105 2.453 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.468 7.059 -0.362 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.418 7.805 1.155 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.505 6.219 0.415 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.202 4.809 0.602 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.701 5.758 0.713 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.721 5.535 2.154 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -9.214 6.134 2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.730 5.181 2.517 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.642 6.791 3.268 1.00 0.00 H new ATOM 1565 N LYS A 101 -4.058 8.441 -0.237 1.00 0.00 N ATOM 1566 CA LYS A 101 -2.675 8.495 -0.695 1.00 0.00 C ATOM 1567 C LYS A 101 -1.922 9.639 -0.024 1.00 0.00 C ATOM 1568 O LYS A 101 -0.717 9.549 0.211 1.00 0.00 O ATOM 1569 CB LYS A 101 -2.629 8.661 -2.216 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.219 8.727 -2.780 1.00 0.00 C ATOM 1571 CD LYS A 101 -1.193 9.414 -4.136 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.155 10.927 -3.993 1.00 0.00 C ATOM 1573 NZ LYS A 101 0.234 11.434 -3.817 1.00 0.00 N ATOM 0 H LYS A 101 -4.751 8.601 -0.968 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.190 7.558 -0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.158 7.828 -2.680 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.164 9.571 -2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.573 9.265 -2.086 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.816 7.719 -2.874 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.322 9.079 -4.698 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.073 9.124 -4.709 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.600 11.386 -4.876 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.762 11.226 -3.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.228 12.242 -3.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.833 10.678 -3.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.612 11.737 -4.737 1.00 0.00 H new ATOM 1587 N MET A 102 -2.639 10.716 0.277 1.00 0.00 N ATOM 1588 CA MET A 102 -2.037 11.881 0.917 1.00 0.00 C ATOM 1589 C MET A 102 -1.952 11.703 2.429 1.00 0.00 C ATOM 1590 O MET A 102 -1.106 12.308 3.086 1.00 0.00 O ATOM 1591 CB MET A 102 -2.835 13.142 0.582 1.00 0.00 C ATOM 1592 CG MET A 102 -2.662 13.610 -0.853 1.00 0.00 C ATOM 1593 SD MET A 102 -3.726 15.007 -1.261 1.00 0.00 S ATOM 1594 CE MET A 102 -3.431 16.080 0.142 1.00 0.00 C ATOM 0 H MET A 102 -3.637 10.807 0.088 1.00 0.00 H new ATOM 0 HA MET A 102 -1.023 11.986 0.531 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.892 12.953 0.768 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.531 13.943 1.255 1.00 0.00 H new ATOM 0 HG2 MET A 102 -1.622 13.891 -1.017 1.00 0.00 H new ATOM 0 HG3 MET A 102 -2.879 12.783 -1.529 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.766 17.090 -0.095 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.982 15.709 1.006 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.365 16.095 0.371 1.00 0.00 H new ATOM 1604 N THR A 103 -2.834 10.875 2.973 1.00 0.00 N ATOM 1605 CA THR A 103 -2.860 10.622 4.411 1.00 0.00 C ATOM 1606 C THR A 103 -1.868 9.530 4.793 1.00 0.00 C ATOM 1607 O THR A 103 -1.096 9.687 5.740 1.00 0.00 O ATOM 1608 CB THR A 103 -4.272 10.236 4.861 1.00 0.00 C ATOM 1609 OG1 THR A 103 -5.157 11.335 4.729 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.343 9.767 6.300 1.00 0.00 C ATOM 0 H THR A 103 -3.541 10.367 2.442 1.00 0.00 H new ATOM 0 HA THR A 103 -2.567 11.541 4.919 1.00 0.00 H new ATOM 0 HB THR A 103 -4.561 9.409 4.213 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.684 11.234 3.909 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.373 9.511 6.549 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.710 8.889 6.428 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.998 10.563 6.960 1.00 0.00 H new ATOM 1618 N LEU A 104 -1.886 8.424 4.057 1.00 0.00 N ATOM 1619 CA LEU A 104 -0.980 7.316 4.334 1.00 0.00 C ATOM 1620 C LEU A 104 0.463 7.805 4.348 1.00 0.00 C ATOM 1621 O LEU A 104 1.219 7.507 5.271 1.00 0.00 O ATOM 1622 CB LEU A 104 -1.158 6.205 3.296 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.106 5.079 3.716 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -3.461 5.646 4.112 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -2.261 4.061 2.596 1.00 0.00 C ATOM 0 H LEU A 104 -2.514 8.271 3.268 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.219 6.910 5.317 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.529 6.647 2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.181 5.775 3.074 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.676 4.573 4.580 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.123 4.833 4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.337 6.335 4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.895 6.177 3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.939 3.269 2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.667 4.552 1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.288 3.631 2.358 1.00 0.00 H new ATOM 1637 N GLN A 105 0.831 8.572 3.326 1.00 0.00 N ATOM 1638 CA GLN A 105 2.179 9.122 3.222 1.00 0.00 C ATOM 1639 C GLN A 105 2.561 9.862 4.499 1.00 0.00 C ATOM 1640 O GLN A 105 3.735 9.926 4.865 1.00 0.00 O ATOM 1641 CB GLN A 105 2.276 10.060 2.017 1.00 0.00 C ATOM 1642 CG GLN A 105 3.327 9.640 1.003 1.00 0.00 C ATOM 1643 CD GLN A 105 3.269 10.462 -0.270 1.00 0.00 C ATOM 1644 OE1 GLN A 105 4.197 11.209 -0.582 1.00 0.00 O ATOM 1645 NE2 GLN A 105 2.175 10.329 -1.011 1.00 0.00 N ATOM 0 H GLN A 105 0.213 8.827 2.556 1.00 0.00 H new ATOM 0 HA GLN A 105 2.877 8.296 3.083 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.305 10.106 1.524 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.503 11.067 2.368 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.317 9.737 1.449 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.190 8.587 0.758 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.431 9.698 -0.713 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.079 10.858 -1.878 1.00 0.00 H new ATOM 1654 N GLN A 106 1.559 10.409 5.180 1.00 0.00 N ATOM 1655 CA GLN A 106 1.795 11.133 6.425 1.00 0.00 C ATOM 1656 C GLN A 106 2.405 10.200 7.458 1.00 0.00 C ATOM 1657 O GLN A 106 3.253 10.599 8.256 1.00 0.00 O ATOM 1658 CB GLN A 106 0.491 11.731 6.958 1.00 0.00 C ATOM 1659 CG GLN A 106 -0.295 12.501 5.910 1.00 0.00 C ATOM 1660 CD GLN A 106 0.543 13.550 5.205 1.00 0.00 C ATOM 1661 OE1 GLN A 106 1.162 13.164 4.095 1.00 0.00 O flip ATOM 1662 NE2 GLN A 106 0.632 14.694 5.651 1.00 0.00 N flip ATOM 0 H GLN A 106 0.581 10.366 4.893 1.00 0.00 H new ATOM 0 HA GLN A 106 2.490 11.949 6.227 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -0.133 10.929 7.352 1.00 0.00 H new ATOM 0 HB3 GLN A 106 0.719 12.396 7.791 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -0.691 11.803 5.173 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -1.150 12.983 6.384 1.00 0.00 H new ATOM 0 HE21 GLN A 106 0.139 14.947 6.507 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.199 15.389 5.164 1.00 0.00 H new ATOM 1671 N ILE A 107 1.976 8.949 7.413 1.00 0.00 N ATOM 1672 CA ILE A 107 2.480 7.925 8.316 1.00 0.00 C ATOM 1673 C ILE A 107 3.836 7.432 7.825 1.00 0.00 C ATOM 1674 O ILE A 107 4.736 7.138 8.611 1.00 0.00 O ATOM 1675 CB ILE A 107 1.502 6.736 8.406 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.178 7.186 9.026 1.00 0.00 C ATOM 1677 CG2 ILE A 107 2.113 5.598 9.207 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -0.909 7.449 8.007 1.00 0.00 C ATOM 0 H ILE A 107 1.273 8.615 6.754 1.00 0.00 H new ATOM 0 HA ILE A 107 2.582 8.364 9.309 1.00 0.00 H new ATOM 0 HB ILE A 107 1.305 6.371 7.398 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.166 6.421 9.723 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.348 8.093 9.606 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.407 4.769 9.259 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.030 5.264 8.723 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.341 5.944 10.215 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.819 7.764 8.518 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.586 8.235 7.325 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.107 6.538 7.443 1.00 0.00 H new ATOM 1690 N ILE A 108 3.965 7.361 6.506 1.00 0.00 N ATOM 1691 CA ILE A 108 5.194 6.924 5.857 1.00 0.00 C ATOM 1692 C ILE A 108 6.382 7.756 6.323 1.00 0.00 C ATOM 1693 O ILE A 108 7.342 7.236 6.891 1.00 0.00 O ATOM 1694 CB ILE A 108 5.075 7.059 4.327 1.00 0.00 C ATOM 1695 CG1 ILE A 108 3.818 6.361 3.822 1.00 0.00 C ATOM 1696 CG2 ILE A 108 6.300 6.503 3.629 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.821 4.866 4.037 1.00 0.00 C ATOM 0 H ILE A 108 3.219 7.605 5.855 1.00 0.00 H new ATOM 0 HA ILE A 108 5.352 5.880 6.127 1.00 0.00 H new ATOM 0 HB ILE A 108 5.004 8.121 4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.950 6.789 4.324 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.704 6.565 2.757 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.186 6.613 2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.185 7.048 3.957 1.00 0.00 H new ATOM 0 HG23 ILE A 108 6.412 5.447 3.876 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.894 4.441 3.652 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.668 4.425 3.512 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.903 4.652 5.103 1.00 0.00 H new ATOM 1709 N SER A 109 6.303 9.054 6.060 1.00 0.00 N ATOM 1710 CA SER A 109 7.365 9.988 6.430 1.00 0.00 C ATOM 1711 C SER A 109 7.775 9.841 7.893 1.00 0.00 C ATOM 1712 O SER A 109 8.897 10.182 8.268 1.00 0.00 O ATOM 1713 CB SER A 109 6.920 11.426 6.159 1.00 0.00 C ATOM 1714 OG SER A 109 7.206 11.805 4.824 1.00 0.00 O ATOM 0 H SER A 109 5.510 9.489 5.589 1.00 0.00 H new ATOM 0 HA SER A 109 8.234 9.750 5.817 1.00 0.00 H new ATOM 0 HB2 SER A 109 5.850 11.520 6.346 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.425 12.102 6.849 1.00 0.00 H new ATOM 0 HG SER A 109 6.911 12.728 4.675 1.00 0.00 H new ATOM 1720 N ARG A 110 6.865 9.337 8.718 1.00 0.00 N ATOM 1721 CA ARG A 110 7.143 9.154 10.140 1.00 0.00 C ATOM 1722 C ARG A 110 8.365 8.265 10.351 1.00 0.00 C ATOM 1723 O ARG A 110 9.203 8.539 11.210 1.00 0.00 O ATOM 1724 CB ARG A 110 5.933 8.547 10.852 1.00 0.00 C ATOM 1725 CG ARG A 110 4.644 9.318 10.624 1.00 0.00 C ATOM 1726 CD ARG A 110 3.535 8.833 11.544 1.00 0.00 C ATOM 1727 NE ARG A 110 2.411 9.766 11.588 1.00 0.00 N ATOM 1728 CZ ARG A 110 2.415 10.896 12.290 1.00 0.00 C ATOM 1729 NH1 ARG A 110 3.477 11.239 13.007 1.00 0.00 N ATOM 1730 NH2 ARG A 110 1.351 11.688 12.274 1.00 0.00 N ATOM 0 H ARG A 110 5.930 9.048 8.429 1.00 0.00 H new ATOM 0 HA ARG A 110 7.351 10.136 10.565 1.00 0.00 H new ATOM 0 HB2 ARG A 110 5.798 7.521 10.511 1.00 0.00 H new ATOM 0 HB3 ARG A 110 6.136 8.503 11.922 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.820 10.380 10.793 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.331 9.207 9.586 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.184 7.858 11.205 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.932 8.697 12.550 1.00 0.00 H new ATOM 0 HE ARG A 110 1.575 9.538 11.049 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.299 10.635 13.023 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.472 12.107 13.542 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.532 11.430 11.724 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.352 12.555 12.812 1.00 0.00 H new ATOM 1744 N TYR A 111 8.461 7.200 9.563 1.00 0.00 N ATOM 1745 CA TYR A 111 9.582 6.273 9.665 1.00 0.00 C ATOM 1746 C TYR A 111 10.828 6.851 9.001 1.00 0.00 C ATOM 1747 O TYR A 111 11.953 6.517 9.371 1.00 0.00 O ATOM 1748 CB TYR A 111 9.229 4.928 9.024 1.00 0.00 C ATOM 1749 CG TYR A 111 7.782 4.522 9.204 1.00 0.00 C ATOM 1750 CD1 TYR A 111 7.213 4.448 10.470 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.988 4.214 8.107 1.00 0.00 C ATOM 1752 CE1 TYR A 111 5.891 4.076 10.635 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.668 3.842 8.265 1.00 0.00 C ATOM 1754 CZ TYR A 111 5.124 3.774 9.530 1.00 0.00 C ATOM 1755 OH TYR A 111 3.812 3.403 9.689 1.00 0.00 O ATOM 0 H TYR A 111 7.776 6.957 8.847 1.00 0.00 H new ATOM 0 HA TYR A 111 9.791 6.117 10.723 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.453 4.975 7.958 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.868 4.155 9.450 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.812 4.684 11.337 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.410 4.266 7.114 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.462 4.022 11.625 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.064 3.605 7.401 1.00 0.00 H new ATOM 0 HH TYR A 111 3.497 3.685 10.573 1.00 0.00 H new ATOM 1765 N LYS A 112 10.619 7.722 8.017 1.00 0.00 N ATOM 1766 CA LYS A 112 11.724 8.347 7.300 1.00 0.00 C ATOM 1767 C LYS A 112 12.656 9.079 8.260 1.00 0.00 C ATOM 1768 O LYS A 112 13.808 8.687 8.443 1.00 0.00 O ATOM 1769 CB LYS A 112 11.190 9.321 6.247 1.00 0.00 C ATOM 1770 CG LYS A 112 12.124 9.514 5.065 1.00 0.00 C ATOM 1771 CD LYS A 112 11.386 10.059 3.854 1.00 0.00 C ATOM 1772 CE LYS A 112 10.849 8.939 2.978 1.00 0.00 C ATOM 1773 NZ LYS A 112 10.013 7.979 3.753 1.00 0.00 N ATOM 0 H LYS A 112 9.694 8.010 7.699 1.00 0.00 H new ATOM 0 HA LYS A 112 12.292 7.560 6.804 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.229 8.958 5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.009 10.287 6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.926 10.198 5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.591 8.563 4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.562 10.692 4.183 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.058 10.689 3.270 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.257 9.364 2.168 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.682 8.406 2.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.638 7.250 3.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.594 7.529 4.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.223 8.488 4.198 1.00 0.00 H new