USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 662 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 44 GLN : amide:sc= -2.46! C(o=-6.7!,f=-7.2!) USER MOD Set 1.2: B 44 GLN : amide:sc= -4.27! C(o=-6.7!,f=-7.2!) USER MOD Set 2.1: B 12 HIS : no HD1:sc= -3.83! C(o=-3.1!,f=-4!) USER MOD Set 2.2: B 16 HIS : no HD1:sc= 0.00682 K(o=-3.1,f=-4) USER MOD Set 2.3: B 22 MET CE :methyl -161:sc= -0.123 (180deg=-1.3) USER MOD Set 2.4: B 40 CYS SG : rot -143:sc= 0.76 USER MOD Set 2.5: B 43 CYS SG : rot -170:sc= 0.0636 USER MOD Set 3.1: A 12 HIS : no HD1:sc= -3.56! C(o=-2.7!,f=-3.4!) USER MOD Set 3.2: A 16 HIS : no HD1:sc= 0.00371 K(o=-2.7,f=-3.5) USER MOD Set 3.3: A 22 MET CE :methyl -163:sc= -0.145 (180deg=-1.26) USER MOD Set 3.4: A 40 CYS SG : rot -143:sc= 0.786 USER MOD Set 3.5: A 43 CYS SG : rot -170:sc= 0.223 USER MOD Single : A 1 PHE N :NH3+ -118:sc= 1.07 (180deg=0.0972) USER MOD Single : A 7 LYS NZ :NH3+ -166:sc=-0.00717 (180deg=-0.212) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 14 LYS NZ :NH3+ 138:sc= -0.301 (180deg=-1.16!) USER MOD Single : A 15 TYR OH : rot 30:sc= -0.351 USER MOD Single : A 17 SER OG : rot 180:sc= -0.121 USER MOD Single : A 18 ASN : amide:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.366 X(o=-0.37,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 PHE N :NH3+ -118:sc= 0.89 (180deg=0.0451) USER MOD Single : B 7 LYS NZ :NH3+ -168:sc= -0.0186 (180deg=-0.233) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : B 14 LYS NZ :NH3+ 142:sc= -0.255 (180deg=-1.33!) USER MOD Single : B 15 TYR OH : rot 30:sc= -0.228 USER MOD Single : B 17 SER OG : rot 180:sc= -0.0718 USER MOD Single : B 18 ASN : amide:sc= -0.239 X(o=-0.24,f=0) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.327 X(o=-0.33,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.033 -3.669 23.960 1.00 0.00 N ATOM 2 CA PHE A 1 94.478 -4.229 25.228 1.00 0.00 C ATOM 3 C PHE A 1 94.085 -3.089 26.165 1.00 0.00 C ATOM 4 O PHE A 1 92.926 -2.806 26.369 1.00 0.00 O ATOM 5 CB PHE A 1 95.536 -5.094 25.929 1.00 0.00 C ATOM 6 CG PHE A 1 95.728 -6.398 25.187 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.655 -6.473 24.140 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.991 -7.537 25.554 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.847 -7.679 23.459 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.183 -8.743 24.870 1.00 0.00 C ATOM 11 CZ PHE A 1 96.110 -8.815 23.823 1.00 0.00 C ATOM 0 H1 PHE A 1 94.432 -3.957 23.161 1.00 0.00 H new ATOM 0 H2 PHE A 1 95.056 -2.631 24.020 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.998 -4.029 23.815 1.00 0.00 H new ATOM 0 HA PHE A 1 93.605 -4.836 24.988 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.482 -4.554 25.979 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.229 -5.294 26.956 1.00 0.00 H new ATOM 0 HD1 PHE A 1 97.222 -5.598 23.858 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.277 -7.482 26.363 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.563 -7.736 22.652 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.616 -9.618 25.150 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.257 -9.746 23.296 1.00 0.00 H new ATOM 23 N LEU A 2 95.050 -2.456 26.761 1.00 0.00 N ATOM 24 CA LEU A 2 94.750 -1.361 27.717 1.00 0.00 C ATOM 25 C LEU A 2 94.265 -0.102 26.981 1.00 0.00 C ATOM 26 O LEU A 2 93.555 0.708 27.543 1.00 0.00 O ATOM 27 CB LEU A 2 96.025 -1.023 28.493 1.00 0.00 C ATOM 28 CG LEU A 2 96.721 -2.311 28.955 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.889 -1.945 29.870 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.733 -3.185 29.732 1.00 0.00 C ATOM 0 H LEU A 2 96.042 -2.652 26.626 1.00 0.00 H new ATOM 0 HA LEU A 2 93.961 -1.692 28.392 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.699 -0.442 27.864 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.781 -0.403 29.356 1.00 0.00 H new ATOM 0 HG LEU A 2 97.082 -2.859 28.085 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.389 -2.854 30.203 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.597 -1.321 29.325 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.515 -1.399 30.736 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.232 -4.098 30.057 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.371 -2.639 30.603 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.891 -3.442 29.089 1.00 0.00 H new ATOM 42 N ASP A 3 94.660 0.094 25.752 1.00 0.00 N ATOM 43 CA ASP A 3 94.229 1.333 25.033 1.00 0.00 C ATOM 44 C ASP A 3 92.729 1.308 24.718 1.00 0.00 C ATOM 45 O ASP A 3 91.974 2.156 25.162 1.00 0.00 O ATOM 46 CB ASP A 3 95.015 1.464 23.725 1.00 0.00 C ATOM 47 CG ASP A 3 94.886 0.173 22.917 1.00 0.00 C ATOM 48 OD1 ASP A 3 94.691 -0.866 23.527 1.00 0.00 O ATOM 49 OD2 ASP A 3 94.991 0.243 21.706 1.00 0.00 O ATOM 0 H ASP A 3 95.255 -0.540 25.218 1.00 0.00 H new ATOM 0 HA ASP A 3 94.428 2.185 25.683 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.638 2.307 23.145 1.00 0.00 H new ATOM 0 HB3 ASP A 3 96.064 1.668 23.938 1.00 0.00 H new ATOM 54 N GLY A 4 92.292 0.360 23.941 1.00 0.00 N ATOM 55 CA GLY A 4 90.843 0.303 23.578 1.00 0.00 C ATOM 56 C GLY A 4 89.983 0.154 24.834 1.00 0.00 C ATOM 57 O GLY A 4 88.940 0.762 24.960 1.00 0.00 O ATOM 0 H GLY A 4 92.870 -0.378 23.540 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.560 1.209 23.042 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.663 -0.535 22.905 1.00 0.00 H new ATOM 61 N ILE A 5 90.411 -0.652 25.764 1.00 0.00 N ATOM 62 CA ILE A 5 89.622 -0.843 27.011 1.00 0.00 C ATOM 63 C ILE A 5 89.463 0.494 27.730 1.00 0.00 C ATOM 64 O ILE A 5 88.426 0.790 28.285 1.00 0.00 O ATOM 65 CB ILE A 5 90.343 -1.837 27.924 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.311 -3.223 27.267 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.646 -1.894 29.293 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.256 -4.193 27.997 1.00 0.00 C ATOM 0 H ILE A 5 91.277 -1.189 25.714 1.00 0.00 H new ATOM 0 HA ILE A 5 88.636 -1.233 26.759 1.00 0.00 H new ATOM 0 HB ILE A 5 91.375 -1.519 28.071 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.294 -3.616 27.284 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.603 -3.141 26.220 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.166 -2.604 29.937 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.665 -0.906 29.753 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.612 -2.213 29.162 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.218 -5.170 27.515 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.275 -3.808 27.957 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.946 -4.289 29.037 1.00 0.00 H new ATOM 80 N ASP A 6 90.487 1.308 27.747 1.00 0.00 N ATOM 81 CA ASP A 6 90.358 2.610 28.455 1.00 0.00 C ATOM 82 C ASP A 6 89.137 3.340 27.905 1.00 0.00 C ATOM 83 O ASP A 6 88.310 3.831 28.650 1.00 0.00 O ATOM 84 CB ASP A 6 91.617 3.459 28.234 1.00 0.00 C ATOM 85 CG ASP A 6 91.597 4.662 29.181 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.542 4.947 29.724 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.639 5.273 29.352 1.00 0.00 O ATOM 0 H ASP A 6 91.391 1.130 27.309 1.00 0.00 H new ATOM 0 HA ASP A 6 90.242 2.439 29.525 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.509 2.858 28.412 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.662 3.798 27.199 1.00 0.00 H new ATOM 92 N LYS A 7 88.999 3.399 26.611 1.00 0.00 N ATOM 93 CA LYS A 7 87.808 4.083 26.032 1.00 0.00 C ATOM 94 C LYS A 7 86.549 3.272 26.334 1.00 0.00 C ATOM 95 O LYS A 7 85.524 3.807 26.703 1.00 0.00 O ATOM 96 CB LYS A 7 87.967 4.201 24.515 1.00 0.00 C ATOM 97 CG LYS A 7 89.209 5.030 24.180 1.00 0.00 C ATOM 98 CD LYS A 7 89.237 5.306 22.672 1.00 0.00 C ATOM 99 CE LYS A 7 90.570 5.951 22.277 1.00 0.00 C ATOM 100 NZ LYS A 7 90.746 7.237 23.012 1.00 0.00 N ATOM 0 H LYS A 7 89.653 3.007 25.933 1.00 0.00 H new ATOM 0 HA LYS A 7 87.722 5.076 26.473 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.052 3.209 24.072 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.081 4.668 24.084 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.195 5.969 24.734 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.110 4.496 24.481 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.098 4.375 22.122 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.412 5.964 22.400 1.00 0.00 H new ATOM 0 HE2 LYS A 7 91.394 5.275 22.506 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.594 6.130 21.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 91.517 7.782 22.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 89.864 7.787 22.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 90.979 7.040 24.006 1.00 0.00 H new ATOM 114 N ALA A 8 86.619 1.978 26.176 1.00 0.00 N ATOM 115 CA ALA A 8 85.429 1.127 26.450 1.00 0.00 C ATOM 116 C ALA A 8 85.091 1.177 27.935 1.00 0.00 C ATOM 117 O ALA A 8 83.939 1.163 28.322 1.00 0.00 O ATOM 118 CB ALA A 8 85.713 -0.321 26.046 1.00 0.00 C ATOM 0 H ALA A 8 87.451 1.474 25.868 1.00 0.00 H new ATOM 0 HA ALA A 8 84.587 1.504 25.869 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.836 -0.935 26.251 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.945 -0.363 24.982 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.561 -0.698 26.617 1.00 0.00 H new ATOM 124 N GLN A 9 86.088 1.215 28.776 1.00 0.00 N ATOM 125 CA GLN A 9 85.810 1.245 30.233 1.00 0.00 C ATOM 126 C GLN A 9 84.939 2.458 30.555 1.00 0.00 C ATOM 127 O GLN A 9 84.012 2.375 31.338 1.00 0.00 O ATOM 128 CB GLN A 9 87.133 1.317 31.004 1.00 0.00 C ATOM 129 CG GLN A 9 86.873 1.109 32.496 1.00 0.00 C ATOM 130 CD GLN A 9 88.188 1.255 33.263 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.255 1.078 32.705 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.158 1.570 34.527 1.00 0.00 N ATOM 0 H GLN A 9 87.074 1.226 28.517 1.00 0.00 H new ATOM 0 HA GLN A 9 85.280 0.340 30.529 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.821 0.556 30.636 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.609 2.284 30.839 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.146 1.838 32.855 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.446 0.121 32.668 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.264 1.718 34.995 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.029 1.668 35.049 1.00 0.00 H new ATOM 141 N GLU A 10 85.204 3.578 29.937 1.00 0.00 N ATOM 142 CA GLU A 10 84.361 4.781 30.193 1.00 0.00 C ATOM 143 C GLU A 10 82.925 4.483 29.764 1.00 0.00 C ATOM 144 O GLU A 10 81.978 4.825 30.447 1.00 0.00 O ATOM 145 CB GLU A 10 84.891 5.965 29.380 1.00 0.00 C ATOM 146 CG GLU A 10 84.174 7.250 29.804 1.00 0.00 C ATOM 147 CD GLU A 10 84.681 8.414 28.949 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.564 8.184 28.135 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.179 9.513 29.116 1.00 0.00 O ATOM 0 H GLU A 10 85.964 3.711 29.270 1.00 0.00 H new ATOM 0 HA GLU A 10 84.391 5.027 31.254 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.965 6.070 29.532 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.736 5.786 28.316 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.097 7.136 29.683 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.357 7.452 30.859 1.00 0.00 H new ATOM 156 N GLU A 11 82.757 3.840 28.642 1.00 0.00 N ATOM 157 CA GLU A 11 81.385 3.505 28.169 1.00 0.00 C ATOM 158 C GLU A 11 80.709 2.632 29.221 1.00 0.00 C ATOM 159 O GLU A 11 79.546 2.792 29.523 1.00 0.00 O ATOM 160 CB GLU A 11 81.495 2.752 26.840 1.00 0.00 C ATOM 161 CG GLU A 11 80.133 2.697 26.147 1.00 0.00 C ATOM 162 CD GLU A 11 79.803 4.073 25.566 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.601 4.978 25.752 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.760 4.200 24.948 1.00 0.00 O ATOM 0 H GLU A 11 83.513 3.531 28.031 1.00 0.00 H new ATOM 0 HA GLU A 11 80.793 4.408 28.019 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.220 3.246 26.193 1.00 0.00 H new ATOM 0 HB3 GLU A 11 81.862 1.741 27.016 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.146 1.949 25.354 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.363 2.396 26.857 1.00 0.00 H new ATOM 171 N HIS A 12 81.436 1.707 29.789 1.00 0.00 N ATOM 172 CA HIS A 12 80.832 0.834 30.831 1.00 0.00 C ATOM 173 C HIS A 12 80.353 1.693 32.001 1.00 0.00 C ATOM 174 O HIS A 12 79.251 1.550 32.476 1.00 0.00 O ATOM 175 CB HIS A 12 81.854 -0.181 31.350 1.00 0.00 C ATOM 176 CG HIS A 12 81.157 -1.060 32.348 1.00 0.00 C ATOM 177 ND1 HIS A 12 80.859 -2.406 32.086 1.00 0.00 N ATOM 178 CD2 HIS A 12 80.599 -0.779 33.569 1.00 0.00 C ATOM 179 CE1 HIS A 12 80.139 -2.871 33.131 1.00 0.00 C ATOM 180 NE2 HIS A 12 79.969 -1.912 34.029 1.00 0.00 N ATOM 0 H HIS A 12 82.416 1.521 29.577 1.00 0.00 H new ATOM 0 HA HIS A 12 79.994 0.298 30.386 1.00 0.00 H new ATOM 0 HB2 HIS A 12 82.253 -0.776 30.529 1.00 0.00 H new ATOM 0 HB3 HIS A 12 82.698 0.329 31.813 1.00 0.00 H new ATOM 0 HD2 HIS A 12 80.646 0.170 34.082 1.00 0.00 H new ATOM 0 HE1 HIS A 12 79.758 -3.878 33.221 1.00 0.00 H new ATOM 0 HE2 HIS A 12 79.460 -1.999 34.908 1.00 0.00 H new ATOM 188 N GLU A 13 81.178 2.586 32.475 1.00 0.00 N ATOM 189 CA GLU A 13 80.762 3.451 33.619 1.00 0.00 C ATOM 190 C GLU A 13 79.524 4.269 33.237 1.00 0.00 C ATOM 191 O GLU A 13 78.625 4.465 34.030 1.00 0.00 O ATOM 192 CB GLU A 13 81.911 4.404 33.965 1.00 0.00 C ATOM 193 CG GLU A 13 81.585 5.152 35.258 1.00 0.00 C ATOM 194 CD GLU A 13 82.734 6.102 35.593 1.00 0.00 C ATOM 195 OE1 GLU A 13 83.759 6.011 34.939 1.00 0.00 O ATOM 196 OE2 GLU A 13 82.571 6.901 36.499 1.00 0.00 O ATOM 0 H GLU A 13 82.120 2.755 32.122 1.00 0.00 H new ATOM 0 HA GLU A 13 80.522 2.824 34.478 1.00 0.00 H new ATOM 0 HB2 GLU A 13 82.839 3.844 34.081 1.00 0.00 H new ATOM 0 HB3 GLU A 13 82.066 5.113 33.152 1.00 0.00 H new ATOM 0 HG2 GLU A 13 80.656 5.711 35.144 1.00 0.00 H new ATOM 0 HG3 GLU A 13 81.433 4.444 36.073 1.00 0.00 H new ATOM 203 N LYS A 14 79.483 4.767 32.034 1.00 0.00 N ATOM 204 CA LYS A 14 78.316 5.593 31.605 1.00 0.00 C ATOM 205 C LYS A 14 76.999 4.809 31.626 1.00 0.00 C ATOM 206 O LYS A 14 75.964 5.372 31.923 1.00 0.00 O ATOM 207 CB LYS A 14 78.546 6.132 30.192 1.00 0.00 C ATOM 208 CG LYS A 14 79.674 7.170 30.229 1.00 0.00 C ATOM 209 CD LYS A 14 80.066 7.590 28.805 1.00 0.00 C ATOM 210 CE LYS A 14 79.046 8.588 28.244 1.00 0.00 C ATOM 211 NZ LYS A 14 78.961 9.779 29.139 1.00 0.00 N ATOM 0 H LYS A 14 80.207 4.639 31.327 1.00 0.00 H new ATOM 0 HA LYS A 14 78.232 6.411 32.320 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.807 5.317 29.516 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.631 6.584 29.808 1.00 0.00 H new ATOM 0 HG2 LYS A 14 79.354 8.044 30.797 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.541 6.755 30.744 1.00 0.00 H new ATOM 0 HD2 LYS A 14 81.059 8.040 28.812 1.00 0.00 H new ATOM 0 HD3 LYS A 14 80.118 6.712 28.161 1.00 0.00 H new ATOM 0 HE2 LYS A 14 79.339 8.896 27.240 1.00 0.00 H new ATOM 0 HE3 LYS A 14 78.068 8.114 28.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 78.917 10.644 28.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 78.106 9.711 29.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 79.801 9.814 29.751 1.00 0.00 H new ATOM 225 N TYR A 15 77.000 3.544 31.265 1.00 0.00 N ATOM 226 CA TYR A 15 75.697 2.783 31.219 1.00 0.00 C ATOM 227 C TYR A 15 75.805 1.385 31.856 1.00 0.00 C ATOM 228 O TYR A 15 74.831 0.660 31.902 1.00 0.00 O ATOM 229 CB TYR A 15 75.308 2.610 29.751 1.00 0.00 C ATOM 230 CG TYR A 15 75.531 3.910 29.010 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.519 4.876 28.971 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.748 4.142 28.351 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.719 6.075 28.277 1.00 0.00 C ATOM 234 CE2 TYR A 15 76.946 5.342 27.656 1.00 0.00 C ATOM 235 CZ TYR A 15 75.931 6.309 27.620 1.00 0.00 C ATOM 236 OH TYR A 15 76.127 7.497 26.938 1.00 0.00 O ATOM 0 H TYR A 15 77.829 3.010 31.004 1.00 0.00 H new ATOM 0 HA TYR A 15 74.955 3.348 31.783 1.00 0.00 H new ATOM 0 HB2 TYR A 15 75.901 1.815 29.298 1.00 0.00 H new ATOM 0 HB3 TYR A 15 74.263 2.311 29.674 1.00 0.00 H new ATOM 0 HD1 TYR A 15 73.582 4.696 29.477 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.530 3.397 28.380 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.937 6.819 28.249 1.00 0.00 H new ATOM 0 HE2 TYR A 15 77.881 5.523 27.147 1.00 0.00 H new ATOM 0 HH TYR A 15 75.609 8.210 27.367 1.00 0.00 H new ATOM 246 N HIS A 16 76.960 0.973 32.298 1.00 0.00 N ATOM 247 CA HIS A 16 77.086 -0.403 32.870 1.00 0.00 C ATOM 248 C HIS A 16 76.546 -1.380 31.828 1.00 0.00 C ATOM 249 O HIS A 16 75.841 -2.322 32.137 1.00 0.00 O ATOM 250 CB HIS A 16 76.281 -0.557 34.173 1.00 0.00 C ATOM 251 CG HIS A 16 76.930 0.184 35.323 1.00 0.00 C ATOM 252 ND1 HIS A 16 77.987 -0.321 36.070 1.00 0.00 N ATOM 253 CD2 HIS A 16 76.624 1.381 35.929 1.00 0.00 C ATOM 254 CE1 HIS A 16 78.279 0.529 37.061 1.00 0.00 C ATOM 255 NE2 HIS A 16 77.471 1.590 37.021 1.00 0.00 N ATOM 0 H HIS A 16 77.819 1.523 32.290 1.00 0.00 H new ATOM 0 HA HIS A 16 78.132 -0.599 33.108 1.00 0.00 H new ATOM 0 HB2 HIS A 16 75.269 -0.181 34.022 1.00 0.00 H new ATOM 0 HB3 HIS A 16 76.194 -1.614 34.424 1.00 0.00 H new ATOM 0 HD2 HIS A 16 75.846 2.058 35.609 1.00 0.00 H new ATOM 0 HE1 HIS A 16 79.060 0.377 37.792 1.00 0.00 H new ATOM 0 HE2 HIS A 16 77.471 2.388 37.656 1.00 0.00 H new ATOM 263 N SER A 17 76.860 -1.137 30.588 1.00 0.00 N ATOM 264 CA SER A 17 76.362 -2.016 29.500 1.00 0.00 C ATOM 265 C SER A 17 76.899 -3.436 29.671 1.00 0.00 C ATOM 266 O SER A 17 77.905 -3.659 30.319 1.00 0.00 O ATOM 267 CB SER A 17 76.824 -1.453 28.159 1.00 0.00 C ATOM 268 OG SER A 17 78.245 -1.391 28.140 1.00 0.00 O ATOM 0 H SER A 17 77.445 -0.360 30.281 1.00 0.00 H new ATOM 0 HA SER A 17 75.273 -2.051 29.537 1.00 0.00 H new ATOM 0 HB2 SER A 17 76.465 -2.082 27.344 1.00 0.00 H new ATOM 0 HB3 SER A 17 76.403 -0.460 28.004 1.00 0.00 H new ATOM 0 HG SER A 17 78.545 -1.031 27.279 1.00 0.00 H new ATOM 274 N ASN A 18 76.231 -4.394 29.090 1.00 0.00 N ATOM 275 CA ASN A 18 76.688 -5.806 29.203 1.00 0.00 C ATOM 276 C ASN A 18 77.928 -6.007 28.332 1.00 0.00 C ATOM 277 O ASN A 18 78.174 -5.264 27.405 1.00 0.00 O ATOM 278 CB ASN A 18 75.574 -6.744 28.734 1.00 0.00 C ATOM 279 CG ASN A 18 74.337 -6.539 29.608 1.00 0.00 C ATOM 280 OD1 ASN A 18 73.244 -6.361 29.106 1.00 0.00 O ATOM 281 ND2 ASN A 18 74.460 -6.556 30.909 1.00 0.00 N ATOM 0 H ASN A 18 75.384 -4.258 28.539 1.00 0.00 H new ATOM 0 HA ASN A 18 76.932 -6.029 30.242 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.332 -6.546 27.690 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.907 -7.780 28.793 1.00 0.00 H new ATOM 0 HD21 ASN A 18 73.640 -6.420 31.501 1.00 0.00 H new ATOM 0 HD22 ASN A 18 75.376 -6.705 31.333 1.00 0.00 H new ATOM 288 N TRP A 19 78.720 -7.002 28.629 1.00 0.00 N ATOM 289 CA TRP A 19 79.949 -7.231 27.820 1.00 0.00 C ATOM 290 C TRP A 19 79.581 -7.426 26.349 1.00 0.00 C ATOM 291 O TRP A 19 80.344 -7.094 25.463 1.00 0.00 O ATOM 292 CB TRP A 19 80.714 -8.449 28.356 1.00 0.00 C ATOM 293 CG TRP A 19 80.013 -9.720 27.998 1.00 0.00 C ATOM 294 CD1 TRP A 19 79.213 -10.422 28.831 1.00 0.00 C ATOM 295 CD2 TRP A 19 80.042 -10.455 26.741 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.756 -11.547 28.170 1.00 0.00 N ATOM 297 CE2 TRP A 19 79.238 -11.610 26.878 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.685 -10.237 25.510 1.00 0.00 C ATOM 299 CZ2 TRP A 19 79.072 -12.516 25.828 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.519 -11.146 24.451 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.717 -12.284 24.611 1.00 0.00 C ATOM 0 H TRP A 19 78.570 -7.662 29.392 1.00 0.00 H new ATOM 0 HA TRP A 19 80.596 -6.357 27.899 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.724 -8.458 27.946 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.810 -8.375 29.439 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.970 -10.149 29.847 1.00 0.00 H new ATOM 0 HE1 TRP A 19 78.139 -12.245 28.586 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.310 -9.366 25.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.450 -13.389 25.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.013 -10.966 23.508 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.598 -12.981 23.794 1.00 0.00 H new ATOM 312 N ARG A 20 78.417 -7.950 26.076 1.00 0.00 N ATOM 313 CA ARG A 20 78.004 -8.153 24.657 1.00 0.00 C ATOM 314 C ARG A 20 77.906 -6.798 23.940 1.00 0.00 C ATOM 315 O ARG A 20 78.276 -6.664 22.792 1.00 0.00 O ATOM 316 CB ARG A 20 76.640 -8.851 24.623 1.00 0.00 C ATOM 317 CG ARG A 20 76.774 -10.290 25.149 1.00 0.00 C ATOM 318 CD ARG A 20 75.421 -11.010 25.052 1.00 0.00 C ATOM 319 NE ARG A 20 75.509 -12.353 25.710 1.00 0.00 N ATOM 320 CZ ARG A 20 74.418 -13.008 26.026 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.246 -12.495 25.763 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.503 -14.181 26.601 1.00 0.00 N ATOM 0 H ARG A 20 77.734 -8.246 26.773 1.00 0.00 H new ATOM 0 HA ARG A 20 78.746 -8.770 24.150 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.924 -8.298 25.231 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.253 -8.862 23.604 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.525 -10.829 24.571 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.116 -10.278 26.184 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.646 -10.411 25.530 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.135 -11.126 24.007 1.00 0.00 H new ATOM 0 HE ARG A 20 76.422 -12.760 25.913 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.178 -11.583 25.311 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.399 -13.006 26.010 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.418 -14.585 26.803 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.655 -14.691 26.847 1.00 0.00 H new ATOM 336 N ALA A 21 77.399 -5.800 24.611 1.00 0.00 N ATOM 337 CA ALA A 21 77.265 -4.458 23.975 1.00 0.00 C ATOM 338 C ALA A 21 78.653 -3.850 23.762 1.00 0.00 C ATOM 339 O ALA A 21 78.987 -3.405 22.680 1.00 0.00 O ATOM 340 CB ALA A 21 76.420 -3.564 24.896 1.00 0.00 C ATOM 0 H ALA A 21 77.071 -5.856 25.575 1.00 0.00 H new ATOM 0 HA ALA A 21 76.776 -4.545 23.005 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.312 -2.577 24.446 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.435 -4.011 25.033 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.913 -3.469 25.863 1.00 0.00 H new ATOM 346 N MET A 22 79.471 -3.845 24.776 1.00 0.00 N ATOM 347 CA MET A 22 80.841 -3.285 24.619 1.00 0.00 C ATOM 348 C MET A 22 81.590 -4.071 23.543 1.00 0.00 C ATOM 349 O MET A 22 82.320 -3.512 22.742 1.00 0.00 O ATOM 350 CB MET A 22 81.604 -3.412 25.938 1.00 0.00 C ATOM 351 CG MET A 22 80.973 -2.503 26.996 1.00 0.00 C ATOM 352 SD MET A 22 82.060 -2.417 28.441 1.00 0.00 S ATOM 353 CE MET A 22 81.798 -4.105 29.026 1.00 0.00 C ATOM 0 H MET A 22 79.251 -4.204 25.705 1.00 0.00 H new ATOM 0 HA MET A 22 80.767 -2.235 24.334 1.00 0.00 H new ATOM 0 HB2 MET A 22 81.588 -4.447 26.279 1.00 0.00 H new ATOM 0 HB3 MET A 22 82.650 -3.141 25.791 1.00 0.00 H new ATOM 0 HG2 MET A 22 80.815 -1.505 26.586 1.00 0.00 H new ATOM 0 HG3 MET A 22 79.995 -2.888 27.285 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.128 -4.186 30.062 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.738 -4.352 28.962 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.370 -4.797 28.408 1.00 0.00 H new ATOM 363 N ALA A 23 81.415 -5.363 23.513 1.00 0.00 N ATOM 364 CA ALA A 23 82.122 -6.179 22.486 1.00 0.00 C ATOM 365 C ALA A 23 81.732 -5.679 21.092 1.00 0.00 C ATOM 366 O ALA A 23 82.571 -5.412 20.255 1.00 0.00 O ATOM 367 CB ALA A 23 81.705 -7.647 22.634 1.00 0.00 C ATOM 0 H ALA A 23 80.816 -5.887 24.151 1.00 0.00 H new ATOM 0 HA ALA A 23 83.200 -6.089 22.620 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.219 -8.249 21.885 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.971 -8.002 23.630 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.628 -7.735 22.493 1.00 0.00 H new ATOM 373 N SER A 24 80.459 -5.529 20.852 1.00 0.00 N ATOM 374 CA SER A 24 79.990 -5.031 19.525 1.00 0.00 C ATOM 375 C SER A 24 80.353 -3.548 19.371 1.00 0.00 C ATOM 376 O SER A 24 80.644 -3.080 18.289 1.00 0.00 O ATOM 377 CB SER A 24 78.473 -5.202 19.428 1.00 0.00 C ATOM 378 OG SER A 24 78.046 -4.908 18.106 1.00 0.00 O ATOM 0 H SER A 24 79.717 -5.731 21.522 1.00 0.00 H new ATOM 0 HA SER A 24 80.473 -5.601 18.731 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.194 -6.222 19.693 1.00 0.00 H new ATOM 0 HB3 SER A 24 77.976 -4.541 20.138 1.00 0.00 H new ATOM 0 HG SER A 24 77.074 -5.019 18.044 1.00 0.00 H new ATOM 384 N ASP A 25 80.324 -2.805 20.444 1.00 0.00 N ATOM 385 CA ASP A 25 80.650 -1.351 20.355 1.00 0.00 C ATOM 386 C ASP A 25 82.075 -1.153 19.832 1.00 0.00 C ATOM 387 O ASP A 25 82.322 -0.293 19.010 1.00 0.00 O ATOM 388 CB ASP A 25 80.536 -0.724 21.746 1.00 0.00 C ATOM 389 CG ASP A 25 80.667 0.795 21.630 1.00 0.00 C ATOM 390 OD1 ASP A 25 81.159 1.254 20.613 1.00 0.00 O ATOM 391 OD2 ASP A 25 80.275 1.475 22.565 1.00 0.00 O ATOM 0 H ASP A 25 80.089 -3.141 21.378 1.00 0.00 H new ATOM 0 HA ASP A 25 79.951 -0.874 19.668 1.00 0.00 H new ATOM 0 HB2 ASP A 25 79.578 -0.984 22.197 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.314 -1.118 22.400 1.00 0.00 H new ATOM 396 N PHE A 26 83.013 -1.939 20.302 1.00 0.00 N ATOM 397 CA PHE A 26 84.435 -1.802 19.838 1.00 0.00 C ATOM 398 C PHE A 26 84.831 -3.023 19.000 1.00 0.00 C ATOM 399 O PHE A 26 85.966 -3.160 18.585 1.00 0.00 O ATOM 400 CB PHE A 26 85.354 -1.702 21.055 1.00 0.00 C ATOM 401 CG PHE A 26 85.031 -0.440 21.820 1.00 0.00 C ATOM 402 CD1 PHE A 26 84.055 -0.473 22.822 1.00 0.00 C ATOM 403 CD2 PHE A 26 85.699 0.758 21.528 1.00 0.00 C ATOM 404 CE1 PHE A 26 83.744 0.689 23.534 1.00 0.00 C ATOM 405 CE2 PHE A 26 85.388 1.921 22.244 1.00 0.00 C ATOM 406 CZ PHE A 26 84.410 1.886 23.247 1.00 0.00 C ATOM 0 H PHE A 26 82.857 -2.675 20.991 1.00 0.00 H new ATOM 0 HA PHE A 26 84.530 -0.904 19.228 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.224 -2.574 21.696 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.397 -1.692 20.738 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.542 -1.397 23.045 1.00 0.00 H new ATOM 0 HD2 PHE A 26 86.451 0.784 20.753 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.989 0.663 24.306 1.00 0.00 H new ATOM 0 HE2 PHE A 26 85.902 2.845 22.023 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.170 2.783 23.799 1.00 0.00 H new ATOM 416 N ASN A 27 83.905 -3.914 18.751 1.00 0.00 N ATOM 417 CA ASN A 27 84.219 -5.133 17.940 1.00 0.00 C ATOM 418 C ASN A 27 85.374 -5.912 18.584 1.00 0.00 C ATOM 419 O ASN A 27 86.277 -6.373 17.911 1.00 0.00 O ATOM 420 CB ASN A 27 84.602 -4.729 16.513 1.00 0.00 C ATOM 421 CG ASN A 27 83.512 -3.825 15.931 1.00 0.00 C ATOM 422 OD1 ASN A 27 83.804 -2.849 15.272 1.00 0.00 O ATOM 423 ND2 ASN A 27 82.257 -4.116 16.149 1.00 0.00 N ATOM 0 H ASN A 27 82.940 -3.851 19.075 1.00 0.00 H new ATOM 0 HA ASN A 27 83.335 -5.769 17.907 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.559 -4.208 16.515 1.00 0.00 H new ATOM 0 HB3 ASN A 27 84.724 -5.617 15.892 1.00 0.00 H new ATOM 0 HD21 ASN A 27 81.522 -3.522 15.765 1.00 0.00 H new ATOM 0 HD22 ASN A 27 82.013 -4.937 16.703 1.00 0.00 H new ATOM 430 N LEU A 28 85.349 -6.063 19.887 1.00 0.00 N ATOM 431 CA LEU A 28 86.435 -6.808 20.604 1.00 0.00 C ATOM 432 C LEU A 28 85.884 -8.155 21.089 1.00 0.00 C ATOM 433 O LEU A 28 84.700 -8.286 21.333 1.00 0.00 O ATOM 434 CB LEU A 28 86.879 -5.970 21.811 1.00 0.00 C ATOM 435 CG LEU A 28 87.546 -4.678 21.320 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.745 -3.726 22.503 1.00 0.00 C ATOM 437 CD2 LEU A 28 88.912 -4.988 20.671 1.00 0.00 C ATOM 0 H LEU A 28 84.614 -5.698 20.492 1.00 0.00 H new ATOM 0 HA LEU A 28 87.281 -6.983 19.939 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.020 -5.733 22.438 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.575 -6.540 22.427 1.00 0.00 H new ATOM 0 HG LEU A 28 86.902 -4.211 20.575 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.219 -2.808 22.155 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.778 -3.490 22.947 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.380 -4.202 23.250 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.371 -4.061 20.328 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.563 -5.466 21.403 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.768 -5.657 19.822 1.00 0.00 H new ATOM 449 N PRO A 29 86.722 -9.158 21.233 1.00 0.00 N ATOM 450 CA PRO A 29 86.269 -10.503 21.696 1.00 0.00 C ATOM 451 C PRO A 29 85.682 -10.443 23.119 1.00 0.00 C ATOM 452 O PRO A 29 86.075 -9.618 23.916 1.00 0.00 O ATOM 453 CB PRO A 29 87.547 -11.366 21.659 1.00 0.00 C ATOM 454 CG PRO A 29 88.681 -10.391 21.680 1.00 0.00 C ATOM 455 CD PRO A 29 88.175 -9.136 20.971 1.00 0.00 C ATOM 0 HA PRO A 29 85.473 -10.906 21.071 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.592 -12.040 22.514 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.577 -11.986 20.763 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.982 -10.166 22.703 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.555 -10.799 21.173 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.641 -8.234 21.368 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.391 -9.163 19.903 1.00 0.00 H new ATOM 463 N PRO A 30 84.752 -11.307 23.439 1.00 0.00 N ATOM 464 CA PRO A 30 84.134 -11.316 24.786 1.00 0.00 C ATOM 465 C PRO A 30 85.185 -11.169 25.891 1.00 0.00 C ATOM 466 O PRO A 30 84.954 -10.546 26.908 1.00 0.00 O ATOM 467 CB PRO A 30 83.443 -12.690 24.887 1.00 0.00 C ATOM 468 CG PRO A 30 83.279 -13.193 23.476 1.00 0.00 C ATOM 469 CD PRO A 30 84.191 -12.351 22.564 1.00 0.00 C ATOM 0 HA PRO A 30 83.443 -10.483 24.915 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.042 -13.383 25.478 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.476 -12.602 25.382 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.546 -14.248 23.414 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.240 -13.108 23.159 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.979 -12.961 22.123 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.628 -11.914 21.739 1.00 0.00 H new ATOM 477 N VAL A 31 86.323 -11.766 25.706 1.00 0.00 N ATOM 478 CA VAL A 31 87.372 -11.694 26.759 1.00 0.00 C ATOM 479 C VAL A 31 87.643 -10.257 27.148 1.00 0.00 C ATOM 480 O VAL A 31 87.656 -9.914 28.314 1.00 0.00 O ATOM 481 CB VAL A 31 88.671 -12.313 26.237 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.746 -12.301 27.334 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.390 -13.753 25.815 1.00 0.00 C ATOM 0 H VAL A 31 86.575 -12.300 24.874 1.00 0.00 H new ATOM 0 HA VAL A 31 87.016 -12.242 27.632 1.00 0.00 H new ATOM 0 HB VAL A 31 89.034 -11.734 25.388 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.664 -12.744 26.949 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.940 -11.274 27.642 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.397 -12.877 28.191 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.307 -14.208 25.440 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.028 -14.320 26.673 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.634 -13.761 25.030 1.00 0.00 H new ATOM 493 N VAL A 32 87.892 -9.409 26.207 1.00 0.00 N ATOM 494 CA VAL A 32 88.192 -8.010 26.584 1.00 0.00 C ATOM 495 C VAL A 32 86.964 -7.370 27.234 1.00 0.00 C ATOM 496 O VAL A 32 87.058 -6.732 28.267 1.00 0.00 O ATOM 497 CB VAL A 32 88.603 -7.217 25.353 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.907 -5.782 25.777 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.857 -7.842 24.734 1.00 0.00 C ATOM 0 H VAL A 32 87.902 -9.615 25.208 1.00 0.00 H new ATOM 0 HA VAL A 32 89.015 -8.004 27.299 1.00 0.00 H new ATOM 0 HB VAL A 32 87.798 -7.228 24.618 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.204 -5.200 24.904 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.017 -5.338 26.224 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.718 -5.782 26.506 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.150 -7.272 23.852 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.668 -7.827 25.462 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.646 -8.872 24.447 1.00 0.00 H new ATOM 509 N ALA A 33 85.814 -7.531 26.644 1.00 0.00 N ATOM 510 CA ALA A 33 84.580 -6.931 27.230 1.00 0.00 C ATOM 511 C ALA A 33 84.241 -7.607 28.557 1.00 0.00 C ATOM 512 O ALA A 33 83.933 -6.954 29.537 1.00 0.00 O ATOM 513 CB ALA A 33 83.409 -7.136 26.267 1.00 0.00 C ATOM 0 H ALA A 33 85.673 -8.053 25.779 1.00 0.00 H new ATOM 0 HA ALA A 33 84.754 -5.868 27.397 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.506 -6.698 26.693 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.632 -6.653 25.315 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.253 -8.203 26.105 1.00 0.00 H new ATOM 519 N LYS A 34 84.288 -8.907 28.601 1.00 0.00 N ATOM 520 CA LYS A 34 83.951 -9.603 29.868 1.00 0.00 C ATOM 521 C LYS A 34 84.914 -9.178 30.976 1.00 0.00 C ATOM 522 O LYS A 34 84.531 -9.055 32.122 1.00 0.00 O ATOM 523 CB LYS A 34 84.011 -11.112 29.655 1.00 0.00 C ATOM 524 CG LYS A 34 82.832 -11.537 28.774 1.00 0.00 C ATOM 525 CD LYS A 34 82.979 -13.011 28.380 1.00 0.00 C ATOM 526 CE LYS A 34 82.843 -13.898 29.621 1.00 0.00 C ATOM 527 NZ LYS A 34 82.567 -15.296 29.200 1.00 0.00 N ATOM 0 H LYS A 34 84.543 -9.513 27.821 1.00 0.00 H new ATOM 0 HA LYS A 34 82.940 -9.330 30.170 1.00 0.00 H new ATOM 0 HB2 LYS A 34 84.953 -11.389 29.182 1.00 0.00 H new ATOM 0 HB3 LYS A 34 83.971 -11.630 30.613 1.00 0.00 H new ATOM 0 HG2 LYS A 34 81.894 -11.386 29.309 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.792 -10.915 27.880 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.218 -13.278 27.646 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.948 -13.176 27.909 1.00 0.00 H new ATOM 0 HE2 LYS A 34 83.758 -13.858 30.212 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.037 -13.532 30.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 82.474 -15.900 30.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.683 -15.326 28.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 83.351 -15.642 28.610 1.00 0.00 H new ATOM 541 N GLU A 35 86.159 -8.954 30.656 1.00 0.00 N ATOM 542 CA GLU A 35 87.118 -8.548 31.715 1.00 0.00 C ATOM 543 C GLU A 35 86.674 -7.223 32.337 1.00 0.00 C ATOM 544 O GLU A 35 86.787 -7.020 33.529 1.00 0.00 O ATOM 545 CB GLU A 35 88.519 -8.390 31.119 1.00 0.00 C ATOM 546 CG GLU A 35 89.552 -8.232 32.249 1.00 0.00 C ATOM 547 CD GLU A 35 89.550 -6.788 32.762 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.288 -5.894 31.975 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.814 -6.599 33.940 1.00 0.00 O ATOM 0 H GLU A 35 86.548 -9.034 29.717 1.00 0.00 H new ATOM 0 HA GLU A 35 87.141 -9.319 32.485 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.764 -9.259 30.508 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.549 -7.520 30.462 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.319 -8.917 33.064 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.545 -8.496 31.885 1.00 0.00 H new ATOM 556 N ILE A 36 86.171 -6.315 31.550 1.00 0.00 N ATOM 557 CA ILE A 36 85.733 -5.016 32.127 1.00 0.00 C ATOM 558 C ILE A 36 84.627 -5.251 33.152 1.00 0.00 C ATOM 559 O ILE A 36 84.595 -4.628 34.194 1.00 0.00 O ATOM 560 CB ILE A 36 85.217 -4.117 31.008 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.365 -3.876 30.031 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.744 -2.779 31.595 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.862 -3.069 28.841 1.00 0.00 C ATOM 0 H ILE A 36 86.045 -6.414 30.543 1.00 0.00 H new ATOM 0 HA ILE A 36 86.577 -4.535 32.621 1.00 0.00 H new ATOM 0 HB ILE A 36 84.378 -4.589 30.497 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.174 -3.342 30.529 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.773 -4.828 29.691 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.376 -2.139 30.793 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.943 -2.959 32.312 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.577 -2.287 32.098 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.683 -2.898 28.144 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.068 -3.620 28.337 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.475 -2.111 29.188 1.00 0.00 H new ATOM 575 N VAL A 37 83.731 -6.150 32.875 1.00 0.00 N ATOM 576 CA VAL A 37 82.632 -6.422 33.839 1.00 0.00 C ATOM 577 C VAL A 37 83.244 -6.941 35.143 1.00 0.00 C ATOM 578 O VAL A 37 82.823 -6.589 36.226 1.00 0.00 O ATOM 579 CB VAL A 37 81.699 -7.484 33.250 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.578 -7.795 34.239 1.00 0.00 C ATOM 581 CG2 VAL A 37 81.083 -6.962 31.953 1.00 0.00 C ATOM 0 H VAL A 37 83.711 -6.710 32.022 1.00 0.00 H new ATOM 0 HA VAL A 37 82.065 -5.512 34.033 1.00 0.00 H new ATOM 0 HB VAL A 37 82.274 -8.389 33.050 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.918 -8.551 33.814 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.007 -8.168 35.169 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.009 -6.888 34.441 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.419 -7.719 31.535 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.515 -6.055 32.159 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.875 -6.739 31.238 1.00 0.00 H new ATOM 591 N ALA A 38 84.248 -7.773 35.038 1.00 0.00 N ATOM 592 CA ALA A 38 84.905 -8.324 36.264 1.00 0.00 C ATOM 593 C ALA A 38 85.468 -7.178 37.094 1.00 0.00 C ATOM 594 O ALA A 38 85.562 -7.253 38.304 1.00 0.00 O ATOM 595 CB ALA A 38 86.059 -9.241 35.866 1.00 0.00 C ATOM 0 H ALA A 38 84.643 -8.096 34.155 1.00 0.00 H new ATOM 0 HA ALA A 38 84.167 -8.883 36.839 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.533 -9.639 36.763 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.678 -10.064 35.261 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.791 -8.676 35.289 1.00 0.00 H new ATOM 601 N SER A 39 85.856 -6.118 36.450 1.00 0.00 N ATOM 602 CA SER A 39 86.421 -4.961 37.190 1.00 0.00 C ATOM 603 C SER A 39 85.282 -4.177 37.844 1.00 0.00 C ATOM 604 O SER A 39 85.455 -3.556 38.872 1.00 0.00 O ATOM 605 CB SER A 39 87.177 -4.061 36.209 1.00 0.00 C ATOM 606 OG SER A 39 88.247 -4.794 35.624 1.00 0.00 O ATOM 0 H SER A 39 85.806 -6.002 35.438 1.00 0.00 H new ATOM 0 HA SER A 39 87.106 -5.310 37.962 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.501 -3.701 35.433 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.563 -3.183 36.727 1.00 0.00 H new ATOM 0 HG SER A 39 88.731 -4.220 34.994 1.00 0.00 H new ATOM 612 N CYS A 40 84.116 -4.210 37.253 1.00 0.00 N ATOM 613 CA CYS A 40 82.957 -3.474 37.835 1.00 0.00 C ATOM 614 C CYS A 40 82.329 -4.314 38.949 1.00 0.00 C ATOM 615 O CYS A 40 81.634 -5.281 38.698 1.00 0.00 O ATOM 616 CB CYS A 40 81.919 -3.222 36.739 1.00 0.00 C ATOM 617 SG CYS A 40 80.457 -2.433 37.456 1.00 0.00 S ATOM 0 H CYS A 40 83.917 -4.717 36.390 1.00 0.00 H new ATOM 0 HA CYS A 40 83.295 -2.522 38.245 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.343 -2.586 35.962 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.641 -4.163 36.264 1.00 0.00 H new ATOM 0 HG CYS A 40 79.388 -2.890 36.874 1.00 0.00 H new ATOM 622 N ASP A 41 82.574 -3.959 40.179 1.00 0.00 N ATOM 623 CA ASP A 41 81.997 -4.735 41.313 1.00 0.00 C ATOM 624 C ASP A 41 80.472 -4.683 41.269 1.00 0.00 C ATOM 625 O ASP A 41 79.799 -5.576 41.743 1.00 0.00 O ATOM 626 CB ASP A 41 82.476 -4.142 42.639 1.00 0.00 C ATOM 627 CG ASP A 41 83.967 -4.417 42.822 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.495 -5.236 42.091 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.559 -3.802 43.697 1.00 0.00 O ATOM 0 H ASP A 41 83.151 -3.162 40.449 1.00 0.00 H new ATOM 0 HA ASP A 41 82.325 -5.771 41.228 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.291 -3.068 42.655 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.913 -4.575 43.466 1.00 0.00 H new ATOM 634 N LYS A 42 79.918 -3.630 40.740 1.00 0.00 N ATOM 635 CA LYS A 42 78.434 -3.513 40.715 1.00 0.00 C ATOM 636 C LYS A 42 77.829 -4.519 39.732 1.00 0.00 C ATOM 637 O LYS A 42 76.816 -5.131 40.008 1.00 0.00 O ATOM 638 CB LYS A 42 78.057 -2.097 40.278 1.00 0.00 C ATOM 639 CG LYS A 42 78.565 -1.092 41.311 1.00 0.00 C ATOM 640 CD LYS A 42 77.991 0.291 40.996 1.00 0.00 C ATOM 641 CE LYS A 42 78.699 1.348 41.840 1.00 0.00 C ATOM 642 NZ LYS A 42 77.928 2.622 41.785 1.00 0.00 N ATOM 0 H LYS A 42 80.425 -2.848 40.325 1.00 0.00 H new ATOM 0 HA LYS A 42 78.045 -3.721 41.712 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.488 -1.880 39.301 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.975 -2.013 40.175 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.268 -1.402 42.313 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.654 -1.058 41.297 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.116 0.514 39.937 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.920 0.306 41.201 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.786 1.007 42.872 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.712 1.507 41.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 78.409 3.344 42.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 77.867 2.948 40.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.970 2.464 42.158 1.00 0.00 H new ATOM 656 N CYS A 43 78.437 -4.703 38.592 1.00 0.00 N ATOM 657 CA CYS A 43 77.882 -5.675 37.604 1.00 0.00 C ATOM 658 C CYS A 43 78.347 -7.089 37.955 1.00 0.00 C ATOM 659 O CYS A 43 77.681 -8.055 37.662 1.00 0.00 O ATOM 660 CB CYS A 43 78.358 -5.309 36.197 1.00 0.00 C ATOM 661 SG CYS A 43 77.492 -3.818 35.632 1.00 0.00 S ATOM 0 H CYS A 43 79.290 -4.225 38.302 1.00 0.00 H new ATOM 0 HA CYS A 43 76.793 -5.637 37.635 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.435 -5.138 36.199 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.168 -6.135 35.511 1.00 0.00 H new ATOM 0 HG CYS A 43 77.736 -3.627 34.369 1.00 0.00 H new ATOM 666 N GLN A 44 79.484 -7.217 38.582 1.00 0.00 N ATOM 667 CA GLN A 44 79.976 -8.573 38.944 1.00 0.00 C ATOM 668 C GLN A 44 79.190 -9.084 40.147 1.00 0.00 C ATOM 669 O GLN A 44 78.391 -9.996 40.040 1.00 0.00 O ATOM 670 CB GLN A 44 81.461 -8.512 39.295 1.00 0.00 C ATOM 671 CG GLN A 44 81.982 -9.932 39.533 1.00 0.00 C ATOM 672 CD GLN A 44 83.446 -9.863 39.952 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.125 -8.773 39.719 1.00 0.00 O ATOM 674 NE2 GLN A 44 83.982 -10.809 40.495 1.00 0.00 N ATOM 0 H GLN A 44 80.090 -6.444 38.858 1.00 0.00 H new ATOM 0 HA GLN A 44 79.838 -9.246 38.098 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.019 -8.038 38.487 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.611 -7.903 40.186 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.392 -10.424 40.307 1.00 0.00 H new ATOM 0 HG3 GLN A 44 81.878 -10.527 38.626 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.451 -11.661 40.677 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.963 -10.751 40.769 1.00 0.00 H new ATOM 844 N PHE B 1 93.908 -14.030 21.481 1.00 0.00 N ATOM 845 CA PHE B 1 92.905 -13.879 22.574 1.00 0.00 C ATOM 846 C PHE B 1 92.409 -15.256 23.012 1.00 0.00 C ATOM 847 O PHE B 1 92.775 -15.761 24.051 1.00 0.00 O ATOM 848 CB PHE B 1 91.698 -13.058 22.085 1.00 0.00 C ATOM 849 CG PHE B 1 92.069 -11.598 21.942 1.00 0.00 C ATOM 850 CD1 PHE B 1 91.910 -10.715 23.025 1.00 0.00 C ATOM 851 CD2 PHE B 1 92.556 -11.122 20.719 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.245 -9.362 22.877 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.888 -9.769 20.573 1.00 0.00 C ATOM 854 CZ PHE B 1 92.733 -8.889 21.653 1.00 0.00 C ATOM 0 H1 PHE B 1 94.824 -13.649 21.795 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.015 -15.037 21.244 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.586 -13.509 20.640 1.00 0.00 H new ATOM 0 HA PHE B 1 93.382 -13.366 23.409 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.351 -13.446 21.127 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.872 -13.162 22.789 1.00 0.00 H new ATOM 0 HD1 PHE B 1 91.531 -11.079 23.969 1.00 0.00 H new ATOM 0 HD2 PHE B 1 92.676 -11.799 19.886 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.126 -8.683 23.709 1.00 0.00 H new ATOM 0 HE2 PHE B 1 93.263 -9.404 19.628 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.990 -7.846 21.541 1.00 0.00 H new ATOM 866 N LEU B 2 91.551 -15.848 22.233 1.00 0.00 N ATOM 867 CA LEU B 2 90.983 -17.172 22.602 1.00 0.00 C ATOM 868 C LEU B 2 92.012 -18.297 22.439 1.00 0.00 C ATOM 869 O LEU B 2 91.933 -19.313 23.101 1.00 0.00 O ATOM 870 CB LEU B 2 89.795 -17.456 21.685 1.00 0.00 C ATOM 871 CG LEU B 2 88.904 -16.213 21.593 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.638 -16.559 20.812 1.00 0.00 C ATOM 873 CD2 LEU B 2 88.518 -15.742 22.998 1.00 0.00 C ATOM 0 H LEU B 2 91.216 -15.468 21.348 1.00 0.00 H new ATOM 0 HA LEU B 2 90.681 -17.140 23.649 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.148 -17.736 20.693 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.221 -18.299 22.069 1.00 0.00 H new ATOM 0 HG LEU B 2 89.448 -15.417 21.085 1.00 0.00 H new ATOM 0 HD11 LEU B 2 87.000 -15.678 20.744 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.908 -16.890 19.809 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.101 -17.357 21.325 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.885 -14.858 22.924 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.975 -16.536 23.511 1.00 0.00 H new ATOM 0 HD23 LEU B 2 89.419 -15.497 23.560 1.00 0.00 H new ATOM 885 N ASP B 3 92.957 -18.155 21.553 1.00 0.00 N ATOM 886 CA ASP B 3 93.945 -19.260 21.359 1.00 0.00 C ATOM 887 C ASP B 3 94.876 -19.382 22.567 1.00 0.00 C ATOM 888 O ASP B 3 94.928 -20.406 23.223 1.00 0.00 O ATOM 889 CB ASP B 3 94.787 -18.988 20.109 1.00 0.00 C ATOM 890 CG ASP B 3 95.395 -17.591 20.195 1.00 0.00 C ATOM 891 OD1 ASP B 3 94.766 -16.730 20.788 1.00 0.00 O ATOM 892 OD2 ASP B 3 96.479 -17.404 19.669 1.00 0.00 O ATOM 0 H ASP B 3 93.090 -17.335 20.961 1.00 0.00 H new ATOM 0 HA ASP B 3 93.391 -20.192 21.244 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.576 -19.734 20.021 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.168 -19.072 19.216 1.00 0.00 H new ATOM 897 N GLY B 4 95.622 -18.356 22.856 1.00 0.00 N ATOM 898 CA GLY B 4 96.567 -18.424 24.010 1.00 0.00 C ATOM 899 C GLY B 4 95.801 -18.723 25.300 1.00 0.00 C ATOM 900 O GLY B 4 96.231 -19.516 26.117 1.00 0.00 O ATOM 0 H GLY B 4 95.621 -17.473 22.346 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.314 -19.198 23.833 1.00 0.00 H new ATOM 0 HA3 GLY B 4 97.103 -17.480 24.107 1.00 0.00 H new ATOM 904 N ILE B 5 94.684 -18.087 25.495 1.00 0.00 N ATOM 905 CA ILE B 5 93.890 -18.330 26.730 1.00 0.00 C ATOM 906 C ILE B 5 93.504 -19.800 26.832 1.00 0.00 C ATOM 907 O ILE B 5 93.498 -20.372 27.903 1.00 0.00 O ATOM 908 CB ILE B 5 92.637 -17.462 26.706 1.00 0.00 C ATOM 909 CG1 ILE B 5 93.058 -15.992 26.818 1.00 0.00 C ATOM 910 CG2 ILE B 5 91.715 -17.828 27.880 1.00 0.00 C ATOM 911 CD1 ILE B 5 91.877 -15.064 26.489 1.00 0.00 C ATOM 0 H ILE B 5 94.283 -17.406 24.850 1.00 0.00 H new ATOM 0 HA ILE B 5 94.495 -18.071 27.599 1.00 0.00 H new ATOM 0 HB ILE B 5 92.095 -17.627 25.775 1.00 0.00 H new ATOM 0 HG12 ILE B 5 93.418 -15.787 27.826 1.00 0.00 H new ATOM 0 HG13 ILE B 5 93.885 -15.792 26.137 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.824 -17.201 27.852 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.424 -18.876 27.802 1.00 0.00 H new ATOM 0 HG23 ILE B 5 92.242 -17.667 28.820 1.00 0.00 H new ATOM 0 HD11 ILE B 5 92.196 -14.025 26.574 1.00 0.00 H new ATOM 0 HD12 ILE B 5 91.535 -15.257 25.472 1.00 0.00 H new ATOM 0 HD13 ILE B 5 91.061 -15.252 27.187 1.00 0.00 H new ATOM 923 N ASP B 6 93.165 -20.426 25.740 1.00 0.00 N ATOM 924 CA ASP B 6 92.776 -21.857 25.837 1.00 0.00 C ATOM 925 C ASP B 6 93.901 -22.620 26.534 1.00 0.00 C ATOM 926 O ASP B 6 93.669 -23.386 27.446 1.00 0.00 O ATOM 927 CB ASP B 6 92.544 -22.442 24.441 1.00 0.00 C ATOM 928 CG ASP B 6 91.858 -23.807 24.567 1.00 0.00 C ATOM 929 OD1 ASP B 6 91.858 -24.352 25.658 1.00 0.00 O ATOM 930 OD2 ASP B 6 91.335 -24.277 23.570 1.00 0.00 O ATOM 0 H ASP B 6 93.141 -20.019 24.805 1.00 0.00 H new ATOM 0 HA ASP B 6 91.851 -21.946 26.406 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.927 -21.766 23.850 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.494 -22.547 23.917 1.00 0.00 H new ATOM 935 N LYS B 7 95.120 -22.403 26.123 1.00 0.00 N ATOM 936 CA LYS B 7 96.251 -23.111 26.783 1.00 0.00 C ATOM 937 C LYS B 7 96.411 -22.600 28.211 1.00 0.00 C ATOM 938 O LYS B 7 96.600 -23.363 29.140 1.00 0.00 O ATOM 939 CB LYS B 7 97.544 -22.847 26.015 1.00 0.00 C ATOM 940 CG LYS B 7 97.413 -23.368 24.585 1.00 0.00 C ATOM 941 CD LYS B 7 98.765 -23.231 23.881 1.00 0.00 C ATOM 942 CE LYS B 7 98.617 -23.554 22.390 1.00 0.00 C ATOM 943 NZ LYS B 7 98.116 -24.948 22.214 1.00 0.00 N ATOM 0 H LYS B 7 95.380 -21.772 25.365 1.00 0.00 H new ATOM 0 HA LYS B 7 96.042 -24.181 26.794 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.759 -21.779 26.004 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.381 -23.336 26.514 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.095 -24.411 24.591 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.650 -22.806 24.047 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.148 -22.218 24.005 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.491 -23.904 24.337 1.00 0.00 H new ATOM 0 HE2 LYS B 7 97.927 -22.850 21.924 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.578 -23.439 21.888 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 98.211 -25.228 21.217 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 98.672 -25.595 22.809 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 97.115 -24.995 22.493 1.00 0.00 H new ATOM 957 N ALA B 8 96.342 -21.311 28.395 1.00 0.00 N ATOM 958 CA ALA B 8 96.494 -20.749 29.765 1.00 0.00 C ATOM 959 C ALA B 8 95.320 -21.186 30.636 1.00 0.00 C ATOM 960 O ALA B 8 95.471 -21.439 31.815 1.00 0.00 O ATOM 961 CB ALA B 8 96.535 -19.222 29.705 1.00 0.00 C ATOM 0 H ALA B 8 96.187 -20.624 27.657 1.00 0.00 H new ATOM 0 HA ALA B 8 97.426 -21.118 30.194 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.646 -18.821 30.712 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.379 -18.904 29.093 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.609 -18.850 29.267 1.00 0.00 H new ATOM 967 N GLN B 9 94.146 -21.268 30.071 1.00 0.00 N ATOM 968 CA GLN B 9 92.971 -21.676 30.883 1.00 0.00 C ATOM 969 C GLN B 9 93.232 -23.056 31.477 1.00 0.00 C ATOM 970 O GLN B 9 92.939 -23.311 32.626 1.00 0.00 O ATOM 971 CB GLN B 9 91.720 -21.711 29.989 1.00 0.00 C ATOM 972 CG GLN B 9 90.464 -21.891 30.848 1.00 0.00 C ATOM 973 CD GLN B 9 89.237 -22.014 29.940 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.257 -21.563 28.809 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.163 -22.612 30.381 1.00 0.00 N ATOM 0 H GLN B 9 93.953 -21.071 29.089 1.00 0.00 H new ATOM 0 HA GLN B 9 92.808 -20.962 31.690 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.648 -20.787 29.415 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.799 -22.527 29.271 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.560 -22.781 31.470 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.347 -21.043 31.522 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.143 -22.991 31.328 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.345 -22.700 29.779 1.00 0.00 H new ATOM 984 N GLU B 10 93.817 -23.939 30.719 1.00 0.00 N ATOM 985 CA GLU B 10 94.113 -25.284 31.277 1.00 0.00 C ATOM 986 C GLU B 10 95.064 -25.127 32.464 1.00 0.00 C ATOM 987 O GLU B 10 94.908 -25.764 33.486 1.00 0.00 O ATOM 988 CB GLU B 10 94.777 -26.145 30.205 1.00 0.00 C ATOM 989 CG GLU B 10 94.886 -27.583 30.703 1.00 0.00 C ATOM 990 CD GLU B 10 95.620 -28.415 29.654 1.00 0.00 C ATOM 991 OE1 GLU B 10 95.928 -27.870 28.606 1.00 0.00 O ATOM 992 OE2 GLU B 10 95.861 -29.581 29.911 1.00 0.00 O ATOM 0 H GLU B 10 94.099 -23.790 29.750 1.00 0.00 H new ATOM 0 HA GLU B 10 93.189 -25.762 31.602 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.195 -26.111 29.284 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.767 -25.754 29.971 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.422 -27.614 31.651 1.00 0.00 H new ATOM 0 HG3 GLU B 10 93.893 -27.995 30.884 1.00 0.00 H new ATOM 999 N GLU B 11 96.046 -24.271 32.341 1.00 0.00 N ATOM 1000 CA GLU B 11 97.008 -24.063 33.464 1.00 0.00 C ATOM 1001 C GLU B 11 96.248 -23.568 34.690 1.00 0.00 C ATOM 1002 O GLU B 11 96.514 -23.974 35.803 1.00 0.00 O ATOM 1003 CB GLU B 11 98.041 -23.011 33.053 1.00 0.00 C ATOM 1004 CG GLU B 11 99.218 -23.022 34.035 1.00 0.00 C ATOM 1005 CD GLU B 11 100.089 -24.253 33.777 1.00 0.00 C ATOM 1006 OE1 GLU B 11 99.729 -25.040 32.918 1.00 0.00 O ATOM 1007 OE2 GLU B 11 101.103 -24.384 34.442 1.00 0.00 O ATOM 0 H GLU B 11 96.223 -23.707 31.510 1.00 0.00 H new ATOM 0 HA GLU B 11 97.511 -25.002 33.697 1.00 0.00 H new ATOM 0 HB2 GLU B 11 98.397 -23.214 32.043 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.580 -22.023 33.036 1.00 0.00 H new ATOM 0 HG2 GLU B 11 99.810 -22.114 33.919 1.00 0.00 H new ATOM 0 HG3 GLU B 11 98.849 -23.033 35.061 1.00 0.00 H new ATOM 1014 N HIS B 12 95.294 -22.698 34.493 1.00 0.00 N ATOM 1015 CA HIS B 12 94.517 -22.195 35.656 1.00 0.00 C ATOM 1016 C HIS B 12 93.810 -23.366 36.326 1.00 0.00 C ATOM 1017 O HIS B 12 93.831 -23.515 37.527 1.00 0.00 O ATOM 1018 CB HIS B 12 93.470 -21.173 35.209 1.00 0.00 C ATOM 1019 CG HIS B 12 92.764 -20.678 36.437 1.00 0.00 C ATOM 1020 ND1 HIS B 12 92.939 -19.377 36.930 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.955 -21.320 37.335 1.00 0.00 C ATOM 1022 CE1 HIS B 12 92.252 -19.291 38.084 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.659 -20.443 38.348 1.00 0.00 N ATOM 0 H HIS B 12 95.023 -22.319 33.586 1.00 0.00 H new ATOM 0 HA HIS B 12 95.203 -21.713 36.352 1.00 0.00 H new ATOM 0 HB2 HIS B 12 93.944 -20.346 34.680 1.00 0.00 H new ATOM 0 HB3 HIS B 12 92.761 -21.629 34.518 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.609 -22.340 37.259 1.00 0.00 H new ATOM 0 HE1 HIS B 12 92.193 -18.409 38.704 1.00 0.00 H new ATOM 0 HE2 HIS B 12 91.081 -20.645 39.164 1.00 0.00 H new ATOM 1031 N GLU B 13 93.166 -24.195 35.557 1.00 0.00 N ATOM 1032 CA GLU B 13 92.451 -25.359 36.150 1.00 0.00 C ATOM 1033 C GLU B 13 93.440 -26.252 36.902 1.00 0.00 C ATOM 1034 O GLU B 13 93.144 -26.775 37.960 1.00 0.00 O ATOM 1035 CB GLU B 13 91.795 -26.171 35.031 1.00 0.00 C ATOM 1036 CG GLU B 13 90.883 -27.244 35.635 1.00 0.00 C ATOM 1037 CD GLU B 13 90.250 -28.059 34.507 1.00 0.00 C ATOM 1038 OE1 GLU B 13 90.402 -27.662 33.364 1.00 0.00 O ATOM 1039 OE2 GLU B 13 89.628 -29.065 34.804 1.00 0.00 O ATOM 0 H GLU B 13 93.103 -24.118 34.542 1.00 0.00 H new ATOM 0 HA GLU B 13 91.692 -24.997 36.844 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.217 -25.513 34.382 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.560 -26.638 34.411 1.00 0.00 H new ATOM 0 HG2 GLU B 13 91.456 -27.896 36.294 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.107 -26.779 36.243 1.00 0.00 H new ATOM 1046 N LYS B 14 94.601 -26.455 36.348 1.00 0.00 N ATOM 1047 CA LYS B 14 95.603 -27.340 37.010 1.00 0.00 C ATOM 1048 C LYS B 14 96.043 -26.808 38.380 1.00 0.00 C ATOM 1049 O LYS B 14 96.311 -27.585 39.272 1.00 0.00 O ATOM 1050 CB LYS B 14 96.830 -27.501 36.110 1.00 0.00 C ATOM 1051 CG LYS B 14 96.451 -28.329 34.878 1.00 0.00 C ATOM 1052 CD LYS B 14 97.619 -28.369 33.882 1.00 0.00 C ATOM 1053 CE LYS B 14 98.685 -29.372 34.342 1.00 0.00 C ATOM 1054 NZ LYS B 14 98.068 -30.714 34.529 1.00 0.00 N ATOM 0 H LYS B 14 94.902 -26.046 35.463 1.00 0.00 H new ATOM 0 HA LYS B 14 95.121 -28.304 37.170 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.202 -26.523 35.804 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.635 -27.991 36.658 1.00 0.00 H new ATOM 0 HG2 LYS B 14 96.187 -29.343 35.180 1.00 0.00 H new ATOM 0 HG3 LYS B 14 95.571 -27.899 34.400 1.00 0.00 H new ATOM 0 HD2 LYS B 14 97.252 -28.647 32.894 1.00 0.00 H new ATOM 0 HD3 LYS B 14 98.061 -27.377 33.791 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.486 -29.429 33.605 1.00 0.00 H new ATOM 0 HE3 LYS B 14 99.135 -29.035 35.276 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 98.731 -31.449 34.208 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 97.851 -30.859 35.536 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 97.191 -30.773 33.974 1.00 0.00 H new ATOM 1068 N TYR B 15 96.171 -25.509 38.559 1.00 0.00 N ATOM 1069 CA TYR B 15 96.657 -24.985 39.888 1.00 0.00 C ATOM 1070 C TYR B 15 95.841 -23.777 40.386 1.00 0.00 C ATOM 1071 O TYR B 15 96.123 -23.243 41.443 1.00 0.00 O ATOM 1072 CB TYR B 15 98.110 -24.536 39.714 1.00 0.00 C ATOM 1073 CG TYR B 15 98.869 -25.572 38.913 1.00 0.00 C ATOM 1074 CD1 TYR B 15 99.496 -26.637 39.566 1.00 0.00 C ATOM 1075 CD2 TYR B 15 98.949 -25.459 37.512 1.00 0.00 C ATOM 1076 CE1 TYR B 15 100.204 -27.594 38.827 1.00 0.00 C ATOM 1077 CE2 TYR B 15 99.658 -26.416 36.773 1.00 0.00 C ATOM 1078 CZ TYR B 15 100.285 -27.484 37.432 1.00 0.00 C ATOM 1079 OH TYR B 15 100.981 -28.431 36.709 1.00 0.00 O ATOM 0 H TYR B 15 95.965 -24.798 37.857 1.00 0.00 H new ATOM 0 HA TYR B 15 96.550 -25.784 40.622 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.145 -23.572 39.207 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.579 -24.400 40.689 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.435 -26.722 40.641 1.00 0.00 H new ATOM 0 HD2 TYR B 15 98.465 -24.636 37.007 1.00 0.00 H new ATOM 0 HE1 TYR B 15 100.688 -28.417 39.333 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.721 -26.331 35.698 1.00 0.00 H new ATOM 0 HH TYR B 15 100.939 -29.293 37.173 1.00 0.00 H new ATOM 1089 N HIS B 16 94.888 -23.302 39.632 1.00 0.00 N ATOM 1090 CA HIS B 16 94.131 -22.088 40.073 1.00 0.00 C ATOM 1091 C HIS B 16 95.158 -20.997 40.366 1.00 0.00 C ATOM 1092 O HIS B 16 95.064 -20.278 41.339 1.00 0.00 O ATOM 1093 CB HIS B 16 93.296 -22.355 41.341 1.00 0.00 C ATOM 1094 CG HIS B 16 92.103 -23.232 41.039 1.00 0.00 C ATOM 1095 ND1 HIS B 16 90.911 -22.755 40.504 1.00 0.00 N ATOM 1096 CD2 HIS B 16 91.873 -24.573 41.251 1.00 0.00 C ATOM 1097 CE1 HIS B 16 90.030 -23.754 40.414 1.00 0.00 C ATOM 1098 NE2 HIS B 16 90.569 -24.895 40.859 1.00 0.00 N ATOM 0 H HIS B 16 94.600 -23.695 38.736 1.00 0.00 H new ATOM 0 HA HIS B 16 93.436 -21.794 39.287 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.920 -22.834 42.096 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.957 -21.408 41.762 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.590 -25.270 41.658 1.00 0.00 H new ATOM 0 HE1 HIS B 16 89.023 -23.655 40.035 1.00 0.00 H new ATOM 0 HE2 HIS B 16 90.122 -25.811 40.903 1.00 0.00 H new ATOM 1106 N SER B 17 96.159 -20.899 39.537 1.00 0.00 N ATOM 1107 CA SER B 17 97.224 -19.889 39.769 1.00 0.00 C ATOM 1108 C SER B 17 96.653 -18.473 39.686 1.00 0.00 C ATOM 1109 O SER B 17 95.611 -18.241 39.103 1.00 0.00 O ATOM 1110 CB SER B 17 98.324 -20.061 38.724 1.00 0.00 C ATOM 1111 OG SER B 17 97.781 -19.864 37.426 1.00 0.00 O ATOM 0 H SER B 17 96.284 -21.478 38.706 1.00 0.00 H new ATOM 0 HA SER B 17 97.636 -20.038 40.767 1.00 0.00 H new ATOM 0 HB2 SER B 17 99.127 -19.347 38.906 1.00 0.00 H new ATOM 0 HB3 SER B 17 98.760 -21.057 38.800 1.00 0.00 H new ATOM 0 HG SER B 17 98.488 -19.973 36.756 1.00 0.00 H new ATOM 1117 N ASN B 18 97.337 -17.529 40.271 1.00 0.00 N ATOM 1118 CA ASN B 18 96.856 -16.118 40.246 1.00 0.00 C ATOM 1119 C ASN B 18 97.065 -15.530 38.856 1.00 0.00 C ATOM 1120 O ASN B 18 97.888 -15.996 38.092 1.00 0.00 O ATOM 1121 CB ASN B 18 97.644 -15.308 41.270 1.00 0.00 C ATOM 1122 CG ASN B 18 97.423 -15.911 42.656 1.00 0.00 C ATOM 1123 OD1 ASN B 18 98.364 -16.149 43.384 1.00 0.00 O ATOM 1124 ND2 ASN B 18 96.207 -16.183 43.047 1.00 0.00 N ATOM 0 H ASN B 18 98.215 -17.675 40.769 1.00 0.00 H new ATOM 0 HA ASN B 18 95.794 -16.086 40.490 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.705 -15.316 41.021 1.00 0.00 H new ATOM 0 HB3 ASN B 18 97.321 -14.267 41.256 1.00 0.00 H new ATOM 0 HD21 ASN B 18 96.047 -16.596 43.966 1.00 0.00 H new ATOM 0 HD22 ASN B 18 95.417 -15.982 42.434 1.00 0.00 H new ATOM 1131 N TRP B 19 96.325 -14.514 38.519 1.00 0.00 N ATOM 1132 CA TRP B 19 96.483 -13.910 37.173 1.00 0.00 C ATOM 1133 C TRP B 19 97.935 -13.450 36.976 1.00 0.00 C ATOM 1134 O TRP B 19 98.444 -13.450 35.873 1.00 0.00 O ATOM 1135 CB TRP B 19 95.508 -12.737 37.020 1.00 0.00 C ATOM 1136 CG TRP B 19 95.970 -11.551 37.800 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.488 -11.195 39.008 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.976 -10.553 37.449 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.117 -10.035 39.419 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.050 -9.604 38.493 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.821 -10.383 36.335 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.932 -8.520 38.437 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.709 -9.295 36.277 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.763 -8.367 37.325 1.00 0.00 C ATOM 0 H TRP B 19 95.621 -14.078 39.115 1.00 0.00 H new ATOM 0 HA TRP B 19 96.254 -14.651 36.407 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.416 -12.471 35.967 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.517 -13.037 37.360 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.733 -11.730 39.564 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.918 -9.556 40.297 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.786 -11.092 35.521 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.970 -7.807 39.247 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.354 -9.174 35.419 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.447 -7.533 37.273 1.00 0.00 H new ATOM 1155 N ARG B 20 98.604 -13.070 38.030 1.00 0.00 N ATOM 1156 CA ARG B 20 100.020 -12.628 37.885 1.00 0.00 C ATOM 1157 C ARG B 20 100.876 -13.795 37.369 1.00 0.00 C ATOM 1158 O ARG B 20 101.754 -13.619 36.546 1.00 0.00 O ATOM 1159 CB ARG B 20 100.554 -12.162 39.250 1.00 0.00 C ATOM 1160 CG ARG B 20 99.848 -10.871 39.686 1.00 0.00 C ATOM 1161 CD ARG B 20 100.414 -10.412 41.033 1.00 0.00 C ATOM 1162 NE ARG B 20 99.617 -9.265 41.549 1.00 0.00 N ATOM 1163 CZ ARG B 20 99.721 -8.904 42.800 1.00 0.00 C ATOM 1164 NH1 ARG B 20 100.498 -9.571 43.612 1.00 0.00 N ATOM 1165 NH2 ARG B 20 99.039 -7.873 43.232 1.00 0.00 N ATOM 0 H ARG B 20 98.234 -13.046 38.980 1.00 0.00 H new ATOM 0 HA ARG B 20 100.070 -11.803 37.174 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.395 -12.941 39.996 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.629 -11.994 39.189 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.991 -10.094 38.935 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.774 -11.041 39.769 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.390 -11.235 41.748 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.458 -10.120 40.919 1.00 0.00 H new ATOM 0 HE ARG B 20 98.988 -8.760 40.924 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.024 -10.375 43.269 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.578 -9.288 44.589 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.433 -7.359 42.593 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.114 -7.584 44.207 1.00 0.00 H new ATOM 1179 N ALA B 21 100.626 -14.987 37.846 1.00 0.00 N ATOM 1180 CA ALA B 21 101.425 -16.160 37.385 1.00 0.00 C ATOM 1181 C ALA B 21 101.098 -16.466 35.916 1.00 0.00 C ATOM 1182 O ALA B 21 101.979 -16.595 35.089 1.00 0.00 O ATOM 1183 CB ALA B 21 101.077 -17.352 38.282 1.00 0.00 C ATOM 0 H ALA B 21 99.903 -15.198 38.534 1.00 0.00 H new ATOM 0 HA ALA B 21 102.493 -15.951 37.453 1.00 0.00 H new ATOM 0 HB1 ALA B 21 101.649 -18.224 37.966 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.323 -17.113 39.317 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.012 -17.568 38.203 1.00 0.00 H new ATOM 1189 N MET B 22 99.843 -16.570 35.585 1.00 0.00 N ATOM 1190 CA MET B 22 99.465 -16.843 34.167 1.00 0.00 C ATOM 1191 C MET B 22 99.988 -15.720 33.273 1.00 0.00 C ATOM 1192 O MET B 22 100.438 -15.951 32.167 1.00 0.00 O ATOM 1193 CB MET B 22 97.950 -16.913 34.031 1.00 0.00 C ATOM 1194 CG MET B 22 97.406 -18.105 34.822 1.00 0.00 C ATOM 1195 SD MET B 22 95.658 -18.340 34.419 1.00 0.00 S ATOM 1196 CE MET B 22 95.025 -16.899 35.307 1.00 0.00 C ATOM 0 H MET B 22 99.061 -16.478 36.233 1.00 0.00 H new ATOM 0 HA MET B 22 99.901 -17.796 33.866 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.501 -15.989 34.396 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.675 -17.008 32.980 1.00 0.00 H new ATOM 0 HG2 MET B 22 97.971 -19.005 34.581 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.525 -17.931 35.892 1.00 0.00 H new ATOM 0 HE1 MET B 22 93.956 -17.020 35.483 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.541 -16.805 36.262 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.195 -16.001 34.712 1.00 0.00 H new ATOM 1206 N ALA B 23 99.923 -14.497 33.740 1.00 0.00 N ATOM 1207 CA ALA B 23 100.412 -13.362 32.902 1.00 0.00 C ATOM 1208 C ALA B 23 101.888 -13.583 32.586 1.00 0.00 C ATOM 1209 O ALA B 23 102.312 -13.500 31.449 1.00 0.00 O ATOM 1210 CB ALA B 23 100.250 -12.036 33.658 1.00 0.00 C ATOM 0 H ALA B 23 99.556 -14.239 34.656 1.00 0.00 H new ATOM 0 HA ALA B 23 99.831 -13.317 31.981 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.610 -11.216 33.036 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.198 -11.878 33.893 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.827 -12.071 34.582 1.00 0.00 H new ATOM 1216 N SER B 24 102.668 -13.875 33.589 1.00 0.00 N ATOM 1217 CA SER B 24 104.122 -14.115 33.367 1.00 0.00 C ATOM 1218 C SER B 24 104.323 -15.442 32.625 1.00 0.00 C ATOM 1219 O SER B 24 105.243 -15.593 31.846 1.00 0.00 O ATOM 1220 CB SER B 24 104.841 -14.174 34.713 1.00 0.00 C ATOM 1221 OG SER B 24 106.244 -14.150 34.491 1.00 0.00 O ATOM 0 H SER B 24 102.360 -13.958 34.558 1.00 0.00 H new ATOM 0 HA SER B 24 104.531 -13.301 32.768 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.544 -13.330 35.335 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.561 -15.080 35.250 1.00 0.00 H new ATOM 0 HG SER B 24 106.712 -14.186 35.351 1.00 0.00 H new ATOM 1227 N ASP B 25 103.476 -16.409 32.877 1.00 0.00 N ATOM 1228 CA ASP B 25 103.623 -17.736 32.205 1.00 0.00 C ATOM 1229 C ASP B 25 103.514 -17.579 30.685 1.00 0.00 C ATOM 1230 O ASP B 25 104.281 -18.158 29.937 1.00 0.00 O ATOM 1231 CB ASP B 25 102.515 -18.676 32.692 1.00 0.00 C ATOM 1232 CG ASP B 25 102.753 -20.088 32.148 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.510 -20.216 31.199 1.00 0.00 O ATOM 1234 OD2 ASP B 25 102.170 -21.013 32.686 1.00 0.00 O ATOM 0 H ASP B 25 102.688 -16.336 33.520 1.00 0.00 H new ATOM 0 HA ASP B 25 104.601 -18.149 32.451 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.495 -18.695 33.782 1.00 0.00 H new ATOM 0 HB3 ASP B 25 101.543 -18.309 32.362 1.00 0.00 H new ATOM 1239 N PHE B 26 102.561 -16.805 30.227 1.00 0.00 N ATOM 1240 CA PHE B 26 102.373 -16.603 28.749 1.00 0.00 C ATOM 1241 C PHE B 26 102.776 -15.180 28.355 1.00 0.00 C ATOM 1242 O PHE B 26 102.630 -14.776 27.219 1.00 0.00 O ATOM 1243 CB PHE B 26 100.900 -16.827 28.399 1.00 0.00 C ATOM 1244 CG PHE B 26 100.536 -18.265 28.691 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.074 -18.622 29.963 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.674 -19.242 27.694 1.00 0.00 C ATOM 1247 CE1 PHE B 26 99.752 -19.956 30.243 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.348 -20.577 27.973 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.889 -20.933 29.248 1.00 0.00 C ATOM 0 H PHE B 26 101.899 -16.299 30.815 1.00 0.00 H new ATOM 0 HA PHE B 26 102.999 -17.311 28.207 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.269 -16.154 28.979 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.725 -16.601 27.347 1.00 0.00 H new ATOM 0 HD1 PHE B 26 99.966 -17.868 30.729 1.00 0.00 H new ATOM 0 HD2 PHE B 26 101.031 -18.966 26.713 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.398 -20.232 31.226 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.451 -21.330 27.206 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.641 -21.962 29.464 1.00 0.00 H new ATOM 1259 N ASN B 27 103.272 -14.418 29.288 1.00 0.00 N ATOM 1260 CA ASN B 27 103.680 -13.017 28.980 1.00 0.00 C ATOM 1261 C ASN B 27 102.493 -12.253 28.384 1.00 0.00 C ATOM 1262 O ASN B 27 102.631 -11.547 27.406 1.00 0.00 O ATOM 1263 CB ASN B 27 104.841 -13.006 27.987 1.00 0.00 C ATOM 1264 CG ASN B 27 105.974 -13.894 28.504 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.578 -14.627 27.748 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.289 -13.865 29.773 1.00 0.00 N ATOM 0 H ASN B 27 103.414 -14.706 30.256 1.00 0.00 H new ATOM 0 HA ASN B 27 104.000 -12.536 29.904 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.503 -13.362 27.014 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.201 -11.987 27.846 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.041 -14.457 30.126 1.00 0.00 H new ATOM 0 HD22 ASN B 27 105.783 -13.250 30.410 1.00 0.00 H new ATOM 1273 N LEU B 28 101.332 -12.386 28.975 1.00 0.00 N ATOM 1274 CA LEU B 28 100.119 -11.668 28.467 1.00 0.00 C ATOM 1275 C LEU B 28 99.741 -10.581 29.477 1.00 0.00 C ATOM 1276 O LEU B 28 99.995 -10.726 30.656 1.00 0.00 O ATOM 1277 CB LEU B 28 98.970 -12.676 28.338 1.00 0.00 C ATOM 1278 CG LEU B 28 99.283 -13.680 27.222 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.266 -14.824 27.272 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.221 -12.989 25.843 1.00 0.00 C ATOM 0 H LEU B 28 101.170 -12.968 29.797 1.00 0.00 H new ATOM 0 HA LEU B 28 100.317 -11.215 27.496 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.827 -13.201 29.282 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.039 -12.154 28.119 1.00 0.00 H new ATOM 0 HG LEU B 28 100.289 -14.074 27.369 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.485 -15.540 26.480 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.327 -15.323 28.239 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.262 -14.424 27.132 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.446 -13.715 25.062 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.222 -12.582 25.684 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.951 -12.181 25.808 1.00 0.00 H new ATOM 1292 N PRO B 29 99.137 -9.496 29.040 1.00 0.00 N ATOM 1293 CA PRO B 29 98.742 -8.395 29.961 1.00 0.00 C ATOM 1294 C PRO B 29 97.749 -8.890 31.029 1.00 0.00 C ATOM 1295 O PRO B 29 97.004 -9.820 30.794 1.00 0.00 O ATOM 1296 CB PRO B 29 98.084 -7.344 29.042 1.00 0.00 C ATOM 1297 CG PRO B 29 97.733 -8.082 27.790 1.00 0.00 C ATOM 1298 CD PRO B 29 98.770 -9.193 27.647 1.00 0.00 C ATOM 0 HA PRO B 29 99.593 -7.994 30.511 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.197 -6.914 29.507 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.766 -6.520 28.835 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.726 -8.495 27.850 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.754 -7.417 26.927 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.357 -10.066 27.141 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.632 -8.866 27.066 1.00 0.00 H new ATOM 1306 N PRO B 30 97.726 -8.272 32.187 1.00 0.00 N ATOM 1307 CA PRO B 30 96.790 -8.674 33.273 1.00 0.00 C ATOM 1308 C PRO B 30 95.369 -8.902 32.746 1.00 0.00 C ATOM 1309 O PRO B 30 94.658 -9.780 33.192 1.00 0.00 O ATOM 1310 CB PRO B 30 96.805 -7.481 34.250 1.00 0.00 C ATOM 1311 CG PRO B 30 98.062 -6.702 33.957 1.00 0.00 C ATOM 1312 CD PRO B 30 98.579 -7.139 32.576 1.00 0.00 C ATOM 0 HA PRO B 30 97.093 -9.614 33.735 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.922 -6.857 34.114 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.795 -7.826 35.284 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.858 -5.631 33.967 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.814 -6.890 34.723 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.508 -6.326 31.853 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.628 -7.433 32.623 1.00 0.00 H new ATOM 1320 N VAL B 31 94.946 -8.090 31.817 1.00 0.00 N ATOM 1321 CA VAL B 31 93.556 -8.218 31.281 1.00 0.00 C ATOM 1322 C VAL B 31 93.284 -9.637 30.838 1.00 0.00 C ATOM 1323 O VAL B 31 92.265 -10.213 31.170 1.00 0.00 O ATOM 1324 CB VAL B 31 93.378 -7.293 30.069 1.00 0.00 C ATOM 1325 CG1 VAL B 31 91.942 -7.392 29.519 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.654 -5.854 30.492 1.00 0.00 C ATOM 0 H VAL B 31 95.502 -7.341 31.403 1.00 0.00 H new ATOM 0 HA VAL B 31 92.861 -7.943 32.075 1.00 0.00 H new ATOM 0 HB VAL B 31 94.076 -7.597 29.289 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.835 -6.729 28.660 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.740 -8.418 29.213 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.234 -7.098 30.294 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.529 -5.192 29.635 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.956 -5.566 31.278 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.675 -5.774 30.866 1.00 0.00 H new ATOM 1336 N VAL B 32 94.149 -10.208 30.067 1.00 0.00 N ATOM 1337 CA VAL B 32 93.870 -11.581 29.601 1.00 0.00 C ATOM 1338 C VAL B 32 93.922 -12.542 30.787 1.00 0.00 C ATOM 1339 O VAL B 32 93.046 -13.364 30.971 1.00 0.00 O ATOM 1340 CB VAL B 32 94.888 -12.004 28.547 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.551 -13.422 28.093 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.815 -11.059 27.344 1.00 0.00 C ATOM 0 H VAL B 32 95.023 -9.794 29.743 1.00 0.00 H new ATOM 0 HA VAL B 32 92.876 -11.607 29.154 1.00 0.00 H new ATOM 0 HB VAL B 32 95.893 -11.967 28.968 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.269 -13.743 27.338 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.596 -14.098 28.947 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.547 -13.439 27.669 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.545 -11.367 26.595 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.815 -11.096 26.913 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.034 -10.041 27.667 1.00 0.00 H new ATOM 1352 N ALA B 33 94.939 -12.443 31.593 1.00 0.00 N ATOM 1353 CA ALA B 33 95.044 -13.349 32.769 1.00 0.00 C ATOM 1354 C ALA B 33 93.913 -13.058 33.758 1.00 0.00 C ATOM 1355 O ALA B 33 93.275 -13.959 34.271 1.00 0.00 O ATOM 1356 CB ALA B 33 96.381 -13.114 33.470 1.00 0.00 C ATOM 0 H ALA B 33 95.702 -11.774 31.489 1.00 0.00 H new ATOM 0 HA ALA B 33 94.973 -14.382 32.428 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.461 -13.776 34.332 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.196 -13.320 32.777 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.441 -12.077 33.802 1.00 0.00 H new ATOM 1362 N LYS B 34 93.661 -11.806 34.043 1.00 0.00 N ATOM 1363 CA LYS B 34 92.578 -11.474 35.007 1.00 0.00 C ATOM 1364 C LYS B 34 91.238 -11.985 34.483 1.00 0.00 C ATOM 1365 O LYS B 34 90.400 -12.432 35.242 1.00 0.00 O ATOM 1366 CB LYS B 34 92.528 -9.962 35.232 1.00 0.00 C ATOM 1367 CG LYS B 34 93.772 -9.539 36.021 1.00 0.00 C ATOM 1368 CD LYS B 34 93.854 -8.010 36.095 1.00 0.00 C ATOM 1369 CE LYS B 34 92.693 -7.466 36.933 1.00 0.00 C ATOM 1370 NZ LYS B 34 93.017 -6.089 37.399 1.00 0.00 N ATOM 0 H LYS B 34 94.157 -11.006 33.651 1.00 0.00 H new ATOM 0 HA LYS B 34 92.784 -11.960 35.960 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.491 -9.439 34.276 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.624 -9.691 35.778 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.734 -9.958 37.027 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.668 -9.936 35.543 1.00 0.00 H new ATOM 0 HD2 LYS B 34 94.804 -7.709 36.536 1.00 0.00 H new ATOM 0 HD3 LYS B 34 93.819 -7.586 35.091 1.00 0.00 H new ATOM 0 HE2 LYS B 34 91.778 -7.455 36.341 1.00 0.00 H new ATOM 0 HE3 LYS B 34 92.512 -8.117 37.788 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 92.228 -5.720 37.968 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.880 -6.113 37.978 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.169 -5.471 36.577 1.00 0.00 H new ATOM 1384 N GLU B 35 91.019 -11.923 33.200 1.00 0.00 N ATOM 1385 CA GLU B 35 89.720 -12.408 32.667 1.00 0.00 C ATOM 1386 C GLU B 35 89.541 -13.893 32.993 1.00 0.00 C ATOM 1387 O GLU B 35 88.457 -14.333 33.321 1.00 0.00 O ATOM 1388 CB GLU B 35 89.656 -12.187 31.151 1.00 0.00 C ATOM 1389 CG GLU B 35 88.214 -12.409 30.658 1.00 0.00 C ATOM 1390 CD GLU B 35 87.935 -13.909 30.521 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.862 -14.643 30.221 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.797 -14.300 30.727 1.00 0.00 O ATOM 0 H GLU B 35 91.674 -11.562 32.507 1.00 0.00 H new ATOM 0 HA GLU B 35 88.913 -11.845 33.137 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.983 -11.177 30.906 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.334 -12.873 30.644 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.508 -11.961 31.358 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.068 -11.914 29.698 1.00 0.00 H new ATOM 1399 N ILE B 36 90.579 -14.678 32.911 1.00 0.00 N ATOM 1400 CA ILE B 36 90.422 -16.125 33.228 1.00 0.00 C ATOM 1401 C ILE B 36 89.956 -16.285 34.674 1.00 0.00 C ATOM 1402 O ILE B 36 89.124 -17.115 34.982 1.00 0.00 O ATOM 1403 CB ILE B 36 91.763 -16.831 33.046 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.204 -16.654 31.596 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.623 -18.327 33.364 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.602 -17.234 31.413 1.00 0.00 C ATOM 0 H ILE B 36 91.518 -14.385 32.642 1.00 0.00 H new ATOM 0 HA ILE B 36 89.683 -16.565 32.559 1.00 0.00 H new ATOM 0 HB ILE B 36 92.502 -16.402 33.723 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.502 -17.153 30.928 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.200 -15.597 31.330 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.586 -18.819 33.230 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.292 -18.450 34.395 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.891 -18.775 32.692 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.916 -17.107 30.377 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.300 -16.715 32.070 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.591 -18.295 31.661 1.00 0.00 H new ATOM 1418 N VAL B 37 90.479 -15.492 35.562 1.00 0.00 N ATOM 1419 CA VAL B 37 90.064 -15.603 36.983 1.00 0.00 C ATOM 1420 C VAL B 37 88.572 -15.282 37.084 1.00 0.00 C ATOM 1421 O VAL B 37 87.836 -15.912 37.817 1.00 0.00 O ATOM 1422 CB VAL B 37 90.874 -14.622 37.833 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.424 -14.726 39.287 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.361 -14.975 37.749 1.00 0.00 C ATOM 0 H VAL B 37 91.175 -14.773 35.365 1.00 0.00 H new ATOM 0 HA VAL B 37 90.246 -16.613 37.349 1.00 0.00 H new ATOM 0 HB VAL B 37 90.715 -13.609 37.464 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.999 -14.029 39.896 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.364 -14.482 39.358 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.587 -15.742 39.647 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.936 -14.275 38.355 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.516 -15.988 38.120 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.692 -14.914 36.712 1.00 0.00 H new ATOM 1434 N ALA B 38 88.120 -14.307 36.340 1.00 0.00 N ATOM 1435 CA ALA B 38 86.672 -13.945 36.375 1.00 0.00 C ATOM 1436 C ALA B 38 85.835 -15.151 35.940 1.00 0.00 C ATOM 1437 O ALA B 38 84.711 -15.325 36.363 1.00 0.00 O ATOM 1438 CB ALA B 38 86.414 -12.777 35.420 1.00 0.00 C ATOM 0 H ALA B 38 88.691 -13.745 35.709 1.00 0.00 H new ATOM 0 HA ALA B 38 86.395 -13.654 37.388 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.357 -12.513 35.446 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.010 -11.918 35.727 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.691 -13.068 34.407 1.00 0.00 H new ATOM 1444 N SER B 39 86.381 -15.978 35.092 1.00 0.00 N ATOM 1445 CA SER B 39 85.634 -17.174 34.608 1.00 0.00 C ATOM 1446 C SER B 39 85.657 -18.263 35.683 1.00 0.00 C ATOM 1447 O SER B 39 84.759 -19.079 35.778 1.00 0.00 O ATOM 1448 CB SER B 39 86.303 -17.691 33.332 1.00 0.00 C ATOM 1449 OG SER B 39 86.226 -16.693 32.321 1.00 0.00 O ATOM 0 H SER B 39 87.321 -15.876 34.710 1.00 0.00 H new ATOM 0 HA SER B 39 84.599 -16.906 34.398 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.345 -17.943 33.531 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.812 -18.604 32.995 1.00 0.00 H new ATOM 0 HG SER B 39 86.655 -17.022 31.504 1.00 0.00 H new ATOM 1455 N CYS B 40 86.677 -18.280 36.495 1.00 0.00 N ATOM 1456 CA CYS B 40 86.763 -19.307 37.571 1.00 0.00 C ATOM 1457 C CYS B 40 85.929 -18.852 38.772 1.00 0.00 C ATOM 1458 O CYS B 40 86.334 -17.998 39.531 1.00 0.00 O ATOM 1459 CB CYS B 40 88.223 -19.466 37.997 1.00 0.00 C ATOM 1460 SG CYS B 40 88.324 -20.643 39.366 1.00 0.00 S ATOM 0 H CYS B 40 87.458 -17.624 36.460 1.00 0.00 H new ATOM 0 HA CYS B 40 86.382 -20.260 37.203 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.822 -19.816 37.157 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.632 -18.502 38.300 1.00 0.00 H new ATOM 0 HG CYS B 40 89.239 -20.256 40.204 1.00 0.00 H new ATOM 1465 N ASP B 41 84.766 -19.418 38.946 1.00 0.00 N ATOM 1466 CA ASP B 41 83.896 -19.024 40.094 1.00 0.00 C ATOM 1467 C ASP B 41 84.609 -19.312 41.415 1.00 0.00 C ATOM 1468 O ASP B 41 84.342 -18.686 42.424 1.00 0.00 O ATOM 1469 CB ASP B 41 82.603 -19.840 40.061 1.00 0.00 C ATOM 1470 CG ASP B 41 81.743 -19.401 38.880 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.069 -18.394 38.277 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.772 -20.083 38.597 1.00 0.00 O ATOM 0 H ASP B 41 84.378 -20.141 38.340 1.00 0.00 H new ATOM 0 HA ASP B 41 83.676 -17.959 40.014 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.835 -20.902 39.979 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.053 -19.705 40.993 1.00 0.00 H new ATOM 1477 N LYS B 42 85.477 -20.283 41.434 1.00 0.00 N ATOM 1478 CA LYS B 42 86.166 -20.632 42.709 1.00 0.00 C ATOM 1479 C LYS B 42 87.171 -19.553 43.090 1.00 0.00 C ATOM 1480 O LYS B 42 87.304 -19.200 44.246 1.00 0.00 O ATOM 1481 CB LYS B 42 86.903 -21.963 42.543 1.00 0.00 C ATOM 1482 CG LYS B 42 85.895 -23.079 42.265 1.00 0.00 C ATOM 1483 CD LYS B 42 86.619 -24.430 42.288 1.00 0.00 C ATOM 1484 CE LYS B 42 85.683 -25.516 41.758 1.00 0.00 C ATOM 1485 NZ LYS B 42 86.235 -26.860 42.080 1.00 0.00 N ATOM 0 H LYS B 42 85.739 -20.849 40.627 1.00 0.00 H new ATOM 0 HA LYS B 42 85.417 -20.712 43.496 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.619 -21.894 41.724 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.472 -22.190 43.445 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.103 -23.065 43.014 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.421 -22.924 41.296 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.521 -24.382 41.678 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.934 -24.669 43.304 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.693 -25.404 42.201 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.563 -25.411 40.680 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 85.594 -27.594 41.717 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 87.170 -26.967 41.637 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 86.327 -26.960 43.111 1.00 0.00 H new ATOM 1499 N CYS B 43 87.889 -19.022 42.145 1.00 0.00 N ATOM 1500 CA CYS B 43 88.883 -17.968 42.490 1.00 0.00 C ATOM 1501 C CYS B 43 88.177 -16.618 42.574 1.00 0.00 C ATOM 1502 O CYS B 43 88.587 -15.737 43.311 1.00 0.00 O ATOM 1503 CB CYS B 43 89.977 -17.929 41.425 1.00 0.00 C ATOM 1504 SG CYS B 43 91.045 -19.381 41.626 1.00 0.00 S ATOM 0 H CYS B 43 87.834 -19.268 41.157 1.00 0.00 H new ATOM 0 HA CYS B 43 89.340 -18.192 43.454 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.534 -17.922 40.429 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.563 -17.014 41.519 1.00 0.00 H new ATOM 0 HG CYS B 43 92.095 -19.256 40.869 1.00 0.00 H new ATOM 1509 N GLN B 44 87.119 -16.441 41.835 1.00 0.00 N ATOM 1510 CA GLN B 44 86.391 -15.143 41.883 1.00 0.00 C ATOM 1511 C GLN B 44 85.586 -15.057 43.179 1.00 0.00 C ATOM 1512 O GLN B 44 85.908 -14.299 44.070 1.00 0.00 O ATOM 1513 CB GLN B 44 85.448 -15.056 40.684 1.00 0.00 C ATOM 1514 CG GLN B 44 84.775 -13.683 40.662 1.00 0.00 C ATOM 1515 CD GLN B 44 83.762 -13.642 39.522 1.00 0.00 C ATOM 1516 OE1 GLN B 44 82.904 -12.782 39.488 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.833 -14.535 38.572 1.00 0.00 N ATOM 0 H GLN B 44 86.727 -17.137 41.201 1.00 0.00 H new ATOM 0 HA GLN B 44 87.103 -14.318 41.849 1.00 0.00 H new ATOM 0 HB2 GLN B 44 86.003 -15.216 39.759 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.694 -15.841 40.743 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.278 -13.492 41.613 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.522 -12.900 40.530 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.554 -15.256 38.603 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.168 -14.512 37.799 1.00 0.00 H new