USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=26 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: B 12 HIS : no HE2:sc= -3.1! C(o=-6.9!,f=-15!) USER MOD Set 1.2: B 16 HIS : no HE2:sc= -1.2 K(o=-6.9,f=-9.4!) USER MOD Set 1.3: B 40 CYS SG : rot 150:sc= 0.794 USER MOD Set 1.4: B 43 CYS SG : rot 76:sc= -3.44! USER MOD Set 2.1: A 12 HIS : no HE2:sc= -2.71! C(o=-6.1!,f=-14!) USER MOD Set 2.2: A 16 HIS : no HE2:sc= -1.29 K(o=-6.1,f=-8.5!) USER MOD Set 2.3: A 40 CYS SG : rot 150:sc= 0.791 USER MOD Set 2.4: A 43 CYS SG : rot 76:sc= -2.93! USER MOD Single : A 1 PHE N :NH3+ 156:sc= 0.246 (180deg=0.0824) USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= -0.0432 (180deg=-0.352) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -49:sc= 0.896 USER MOD Single : A 18 ASN : amide:sc= -0.165 X(o=-0.16,f=0) USER MOD Single : A 22 MET CE :methyl -158:sc= -0.187 (180deg=-1.18) USER MOD Single : A 24 SER OG : rot 79:sc= 0.248 USER MOD Single : A 27 ASN : amide:sc= -0.413 X(o=-0.41,f=-0.021) USER MOD Single : A 34 LYS NZ :NH3+ 160:sc= -0.0227 (180deg=-0.301) USER MOD Single : A 39 SER OG : rot 65:sc= 0.012 USER MOD Single : A 42 LYS NZ :NH3+ 160:sc= -0.101 (180deg=-0.559) USER MOD Single : A 44 GLN : amide:sc= -0.652 K(o=-0.65,f=-2.3) USER MOD Single : B 1 PHE N :NH3+ 155:sc= 0.224 (180deg=0.0732) USER MOD Single : B 7 LYS NZ :NH3+ 161:sc= -0.0792 (180deg=-0.537) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -74:sc= 0.924 USER MOD Single : B 18 ASN : amide:sc= -0.373 X(o=-0.37,f=-0.0052) USER MOD Single : B 22 MET CE :methyl -158:sc= -0.253 (180deg=-1.37) USER MOD Single : B 24 SER OG : rot 79:sc= 0.364 USER MOD Single : B 27 ASN : amide:sc= -0.478 X(o=-0.48,f=-0.0082) USER MOD Single : B 34 LYS NZ :NH3+ 161:sc= -0.0355 (180deg=-0.307) USER MOD Single : B 39 SER OG : rot 67:sc= 0.0933 USER MOD Single : B 42 LYS NZ :NH3+ 162:sc= -0.0939 (180deg=-0.652) USER MOD Single : B 44 GLN : amide:sc= -2.68 K(o=-2.7,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.408 -3.396 24.057 1.00 0.00 N ATOM 2 CA PHE A 1 94.242 -4.068 25.375 1.00 0.00 C ATOM 3 C PHE A 1 93.920 -3.017 26.443 1.00 0.00 C ATOM 4 O PHE A 1 92.776 -2.673 26.662 1.00 0.00 O ATOM 5 CB PHE A 1 95.544 -4.804 25.740 1.00 0.00 C ATOM 6 CG PHE A 1 95.606 -6.127 25.011 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.133 -6.192 23.716 1.00 0.00 C ATOM 8 CD2 PHE A 1 95.130 -7.288 25.633 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.185 -7.419 23.043 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.182 -8.515 24.962 1.00 0.00 C ATOM 11 CZ PHE A 1 95.708 -8.581 23.666 1.00 0.00 C ATOM 0 H1 PHE A 1 95.001 -3.986 23.439 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.476 -3.260 23.617 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.864 -2.471 24.194 1.00 0.00 H new ATOM 0 HA PHE A 1 93.426 -4.788 25.322 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.406 -4.191 25.474 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.590 -4.969 26.816 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.499 -5.297 23.236 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.722 -7.236 26.632 1.00 0.00 H new ATOM 0 HE1 PHE A 1 96.593 -7.470 22.044 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.817 -9.410 25.443 1.00 0.00 H new ATOM 0 HZ PHE A 1 95.746 -9.527 23.146 1.00 0.00 H new ATOM 23 N LEU A 2 94.920 -2.516 27.112 1.00 0.00 N ATOM 24 CA LEU A 2 94.685 -1.497 28.176 1.00 0.00 C ATOM 25 C LEU A 2 94.054 -0.231 27.581 1.00 0.00 C ATOM 26 O LEU A 2 93.164 0.359 28.160 1.00 0.00 O ATOM 27 CB LEU A 2 96.031 -1.132 28.808 1.00 0.00 C ATOM 28 CG LEU A 2 96.679 -2.379 29.425 1.00 0.00 C ATOM 29 CD1 LEU A 2 98.086 -2.026 29.911 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.839 -2.888 30.607 1.00 0.00 C ATOM 0 H LEU A 2 95.897 -2.770 26.967 1.00 0.00 H new ATOM 0 HA LEU A 2 94.006 -1.910 28.923 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.692 -0.705 28.054 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.887 -0.370 29.574 1.00 0.00 H new ATOM 0 HG LEU A 2 96.733 -3.164 28.670 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.551 -2.908 30.350 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.686 -1.681 29.069 1.00 0.00 H new ATOM 0 HD13 LEU A 2 98.025 -1.237 30.660 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.311 -3.773 31.034 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.771 -2.110 31.367 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.838 -3.143 30.259 1.00 0.00 H new ATOM 42 N ASP A 3 94.514 0.197 26.438 1.00 0.00 N ATOM 43 CA ASP A 3 93.944 1.432 25.822 1.00 0.00 C ATOM 44 C ASP A 3 92.477 1.210 25.464 1.00 0.00 C ATOM 45 O ASP A 3 91.638 2.065 25.670 1.00 0.00 O ATOM 46 CB ASP A 3 94.717 1.761 24.548 1.00 0.00 C ATOM 47 CG ASP A 3 96.107 2.283 24.914 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.178 3.212 25.701 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.074 1.747 24.398 1.00 0.00 O ATOM 0 H ASP A 3 95.258 -0.252 25.904 1.00 0.00 H new ATOM 0 HA ASP A 3 94.023 2.253 26.534 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.804 0.872 23.923 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.178 2.508 23.966 1.00 0.00 H new ATOM 54 N GLY A 4 92.162 0.067 24.931 1.00 0.00 N ATOM 55 CA GLY A 4 90.751 -0.221 24.553 1.00 0.00 C ATOM 56 C GLY A 4 89.883 -0.219 25.811 1.00 0.00 C ATOM 57 O GLY A 4 88.746 0.213 25.796 1.00 0.00 O ATOM 0 H GLY A 4 92.823 -0.686 24.739 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.391 0.528 23.847 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.686 -1.188 24.053 1.00 0.00 H new ATOM 61 N ILE A 5 90.414 -0.703 26.896 1.00 0.00 N ATOM 62 CA ILE A 5 89.640 -0.744 28.167 1.00 0.00 C ATOM 63 C ILE A 5 89.399 0.675 28.688 1.00 0.00 C ATOM 64 O ILE A 5 88.338 0.984 29.196 1.00 0.00 O ATOM 65 CB ILE A 5 90.422 -1.560 29.199 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.384 -3.037 28.800 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.805 -1.383 30.588 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.354 -3.829 29.673 1.00 0.00 C ATOM 0 H ILE A 5 91.361 -1.076 26.958 1.00 0.00 H new ATOM 0 HA ILE A 5 88.672 -1.211 27.989 1.00 0.00 H new ATOM 0 HB ILE A 5 91.455 -1.212 29.229 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.373 -3.429 28.914 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.652 -3.147 27.749 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.369 -1.968 31.314 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.835 -0.330 30.868 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.770 -1.725 30.573 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.325 -4.880 29.387 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.364 -3.443 29.537 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.066 -3.730 30.720 1.00 0.00 H new ATOM 80 N ASP A 6 90.373 1.535 28.590 1.00 0.00 N ATOM 81 CA ASP A 6 90.183 2.920 29.103 1.00 0.00 C ATOM 82 C ASP A 6 89.019 3.585 28.371 1.00 0.00 C ATOM 83 O ASP A 6 88.164 4.199 28.979 1.00 0.00 O ATOM 84 CB ASP A 6 91.459 3.733 28.871 1.00 0.00 C ATOM 85 CG ASP A 6 92.556 3.260 29.827 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.464 3.573 31.003 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.470 2.596 29.366 1.00 0.00 O ATOM 0 H ASP A 6 91.287 1.341 28.180 1.00 0.00 H new ATOM 0 HA ASP A 6 89.965 2.880 30.170 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.790 3.620 27.839 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.259 4.793 29.028 1.00 0.00 H new ATOM 92 N LYS A 7 88.969 3.467 27.075 1.00 0.00 N ATOM 93 CA LYS A 7 87.841 4.094 26.332 1.00 0.00 C ATOM 94 C LYS A 7 86.552 3.333 26.646 1.00 0.00 C ATOM 95 O LYS A 7 85.502 3.914 26.835 1.00 0.00 O ATOM 96 CB LYS A 7 88.115 4.034 24.827 1.00 0.00 C ATOM 97 CG LYS A 7 89.260 4.983 24.470 1.00 0.00 C ATOM 98 CD LYS A 7 89.522 4.918 22.963 1.00 0.00 C ATOM 99 CE LYS A 7 90.645 5.888 22.590 1.00 0.00 C ATOM 100 NZ LYS A 7 91.920 5.456 23.228 1.00 0.00 N ATOM 0 H LYS A 7 89.651 2.970 26.503 1.00 0.00 H new ATOM 0 HA LYS A 7 87.739 5.136 26.635 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.370 3.015 24.535 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.217 4.309 24.273 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.007 6.002 24.763 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.160 4.707 25.019 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.796 3.903 22.676 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.614 5.171 22.415 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.763 5.922 21.507 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.389 6.897 22.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 92.720 5.926 22.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 91.909 5.715 24.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 92.022 4.425 23.136 1.00 0.00 H new ATOM 114 N ALA A 8 86.631 2.032 26.705 1.00 0.00 N ATOM 115 CA ALA A 8 85.421 1.214 27.010 1.00 0.00 C ATOM 116 C ALA A 8 85.001 1.387 28.474 1.00 0.00 C ATOM 117 O ALA A 8 83.829 1.393 28.792 1.00 0.00 O ATOM 118 CB ALA A 8 85.719 -0.261 26.739 1.00 0.00 C ATOM 0 H ALA A 8 87.486 1.497 26.554 1.00 0.00 H new ATOM 0 HA ALA A 8 84.605 1.552 26.371 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.835 -0.858 26.962 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.990 -0.391 25.691 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.546 -0.587 27.370 1.00 0.00 H new ATOM 124 N GLN A 9 85.944 1.488 29.375 1.00 0.00 N ATOM 125 CA GLN A 9 85.585 1.619 30.821 1.00 0.00 C ATOM 126 C GLN A 9 84.790 2.907 31.040 1.00 0.00 C ATOM 127 O GLN A 9 85.090 3.942 30.478 1.00 0.00 O ATOM 128 CB GLN A 9 86.870 1.651 31.660 1.00 0.00 C ATOM 129 CG GLN A 9 86.523 1.727 33.150 1.00 0.00 C ATOM 130 CD GLN A 9 87.817 1.731 33.970 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.886 1.497 33.441 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.766 1.992 35.250 1.00 0.00 N ATOM 0 H GLN A 9 86.944 1.486 29.174 1.00 0.00 H new ATOM 0 HA GLN A 9 84.974 0.769 31.125 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.465 0.760 31.462 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.478 2.510 31.376 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.946 2.628 33.355 1.00 0.00 H new ATOM 0 HG3 GLN A 9 85.901 0.878 33.434 1.00 0.00 H new ATOM 0 HE21 GLN A 9 86.870 2.189 35.695 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.623 1.999 35.804 1.00 0.00 H new ATOM 141 N GLU A 10 83.771 2.846 31.850 1.00 0.00 N ATOM 142 CA GLU A 10 82.942 4.055 32.107 1.00 0.00 C ATOM 143 C GLU A 10 82.077 3.812 33.344 1.00 0.00 C ATOM 144 O GLU A 10 82.199 2.803 34.008 1.00 0.00 O ATOM 145 CB GLU A 10 82.049 4.332 30.895 1.00 0.00 C ATOM 146 CG GLU A 10 81.054 3.184 30.714 1.00 0.00 C ATOM 147 CD GLU A 10 80.322 3.350 29.383 1.00 0.00 C ATOM 148 OE1 GLU A 10 80.095 4.483 28.991 1.00 0.00 O ATOM 149 OE2 GLU A 10 79.998 2.341 28.778 1.00 0.00 O ATOM 0 H GLU A 10 83.475 2.006 32.348 1.00 0.00 H new ATOM 0 HA GLU A 10 83.588 4.917 32.276 1.00 0.00 H new ATOM 0 HB2 GLU A 10 81.514 5.272 31.033 1.00 0.00 H new ATOM 0 HB3 GLU A 10 82.660 4.441 29.999 1.00 0.00 H new ATOM 0 HG2 GLU A 10 81.577 2.228 30.737 1.00 0.00 H new ATOM 0 HG3 GLU A 10 80.339 3.176 31.536 1.00 0.00 H new ATOM 156 N GLU A 11 81.211 4.728 33.666 1.00 0.00 N ATOM 157 CA GLU A 11 80.348 4.541 34.867 1.00 0.00 C ATOM 158 C GLU A 11 79.454 3.310 34.672 1.00 0.00 C ATOM 159 O GLU A 11 79.239 2.852 33.567 1.00 0.00 O ATOM 160 CB GLU A 11 79.489 5.798 35.082 1.00 0.00 C ATOM 161 CG GLU A 11 79.178 6.450 33.731 1.00 0.00 C ATOM 162 CD GLU A 11 78.030 7.448 33.900 1.00 0.00 C ATOM 163 OE1 GLU A 11 78.301 8.571 34.294 1.00 0.00 O ATOM 164 OE2 GLU A 11 76.898 7.068 33.646 1.00 0.00 O ATOM 0 H GLU A 11 81.062 5.597 33.153 1.00 0.00 H new ATOM 0 HA GLU A 11 80.972 4.385 35.747 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.562 5.534 35.591 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.015 6.504 35.725 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.063 6.958 33.348 1.00 0.00 H new ATOM 0 HG3 GLU A 11 78.907 5.688 33.001 1.00 0.00 H new ATOM 171 N HIS A 12 78.945 2.764 35.742 1.00 0.00 N ATOM 172 CA HIS A 12 78.078 1.556 35.631 1.00 0.00 C ATOM 173 C HIS A 12 76.722 1.935 35.029 1.00 0.00 C ATOM 174 O HIS A 12 75.772 2.202 35.737 1.00 0.00 O ATOM 175 CB HIS A 12 77.864 0.970 37.028 1.00 0.00 C ATOM 176 CG HIS A 12 76.860 -0.149 36.972 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.215 -1.447 36.635 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.512 -0.181 37.229 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.098 -2.206 36.707 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.037 -1.477 37.062 1.00 0.00 N ATOM 0 H HIS A 12 79.093 3.104 36.692 1.00 0.00 H new ATOM 0 HA HIS A 12 78.561 0.823 34.985 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.810 0.601 37.425 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.515 1.748 37.707 1.00 0.00 H new ATOM 0 HD1 HIS A 12 78.148 -1.770 36.380 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.912 0.670 37.517 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.068 -3.266 36.503 1.00 0.00 H new ATOM 188 N GLU A 13 76.620 1.945 33.723 1.00 0.00 N ATOM 189 CA GLU A 13 75.320 2.293 33.063 1.00 0.00 C ATOM 190 C GLU A 13 74.606 1.015 32.600 1.00 0.00 C ATOM 191 O GLU A 13 74.967 -0.084 32.970 1.00 0.00 O ATOM 192 CB GLU A 13 75.598 3.181 31.852 1.00 0.00 C ATOM 193 CG GLU A 13 76.072 4.551 32.339 1.00 0.00 C ATOM 194 CD GLU A 13 76.450 5.425 31.143 1.00 0.00 C ATOM 195 OE1 GLU A 13 76.865 4.873 30.137 1.00 0.00 O ATOM 196 OE2 GLU A 13 76.316 6.633 31.252 1.00 0.00 O ATOM 0 H GLU A 13 77.383 1.727 33.082 1.00 0.00 H new ATOM 0 HA GLU A 13 74.684 2.819 33.775 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.356 2.724 31.216 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.697 3.287 31.248 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.285 5.033 32.919 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.930 4.435 33.001 1.00 0.00 H new ATOM 203 N LYS A 14 73.600 1.160 31.776 1.00 0.00 N ATOM 204 CA LYS A 14 72.864 -0.032 31.260 1.00 0.00 C ATOM 205 C LYS A 14 73.770 -0.790 30.290 1.00 0.00 C ATOM 206 O LYS A 14 73.625 -1.978 30.084 1.00 0.00 O ATOM 207 CB LYS A 14 71.592 0.413 30.531 1.00 0.00 C ATOM 208 CG LYS A 14 70.587 0.961 31.543 1.00 0.00 C ATOM 209 CD LYS A 14 69.388 1.578 30.809 1.00 0.00 C ATOM 210 CE LYS A 14 68.556 0.481 30.135 1.00 0.00 C ATOM 211 NZ LYS A 14 67.195 1.011 29.832 1.00 0.00 N ATOM 0 H LYS A 14 73.255 2.058 31.437 1.00 0.00 H new ATOM 0 HA LYS A 14 72.586 -0.678 32.093 1.00 0.00 H new ATOM 0 HB2 LYS A 14 71.833 1.177 29.792 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.157 -0.428 29.990 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.249 0.161 32.202 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.065 1.712 32.172 1.00 0.00 H new ATOM 0 HD2 LYS A 14 68.768 2.133 31.513 1.00 0.00 H new ATOM 0 HD3 LYS A 14 69.738 2.290 30.061 1.00 0.00 H new ATOM 0 HE2 LYS A 14 69.043 0.151 29.217 1.00 0.00 H new ATOM 0 HE3 LYS A 14 68.483 -0.389 30.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 66.628 0.269 29.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 66.732 1.305 30.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 67.275 1.829 29.194 1.00 0.00 H new ATOM 225 N TYR A 15 74.698 -0.099 29.687 1.00 0.00 N ATOM 226 CA TYR A 15 75.619 -0.754 28.714 1.00 0.00 C ATOM 227 C TYR A 15 76.400 -1.869 29.408 1.00 0.00 C ATOM 228 O TYR A 15 76.695 -2.888 28.817 1.00 0.00 O ATOM 229 CB TYR A 15 76.597 0.287 28.151 1.00 0.00 C ATOM 230 CG TYR A 15 75.923 1.075 27.050 1.00 0.00 C ATOM 231 CD1 TYR A 15 75.068 2.139 27.361 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.153 0.727 25.714 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.443 2.854 26.331 1.00 0.00 C ATOM 234 CE2 TYR A 15 75.530 1.441 24.686 1.00 0.00 C ATOM 235 CZ TYR A 15 74.675 2.505 24.994 1.00 0.00 C ATOM 236 OH TYR A 15 74.062 3.213 23.980 1.00 0.00 O ATOM 0 H TYR A 15 74.859 0.898 29.827 1.00 0.00 H new ATOM 0 HA TYR A 15 75.035 -1.181 27.899 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.925 0.959 28.944 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.488 -0.208 27.764 1.00 0.00 H new ATOM 0 HD1 TYR A 15 74.891 2.408 28.392 1.00 0.00 H new ATOM 0 HD2 TYR A 15 76.813 -0.094 25.477 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.782 3.675 26.568 1.00 0.00 H new ATOM 0 HE2 TYR A 15 75.708 1.172 23.655 1.00 0.00 H new ATOM 0 HH TYR A 15 74.331 2.843 23.113 1.00 0.00 H new ATOM 246 N HIS A 16 76.732 -1.700 30.654 1.00 0.00 N ATOM 247 CA HIS A 16 77.490 -2.767 31.357 1.00 0.00 C ATOM 248 C HIS A 16 76.674 -4.063 31.323 1.00 0.00 C ATOM 249 O HIS A 16 77.219 -5.134 31.148 1.00 0.00 O ATOM 250 CB HIS A 16 77.751 -2.355 32.814 1.00 0.00 C ATOM 251 CG HIS A 16 78.924 -1.409 32.877 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.594 -1.130 34.063 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.575 -0.693 31.903 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.603 -0.287 33.770 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.632 0.007 32.470 1.00 0.00 N ATOM 0 H HIS A 16 76.513 -0.875 31.213 1.00 0.00 H new ATOM 0 HA HIS A 16 78.448 -2.921 30.860 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.864 -1.877 33.230 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.952 -3.238 33.421 1.00 0.00 H new ATOM 0 HD1 HIS A 16 79.364 -1.497 34.986 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.306 -0.677 30.857 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.301 0.102 34.497 1.00 0.00 H new ATOM 263 N SER A 17 75.383 -3.988 31.480 1.00 0.00 N ATOM 264 CA SER A 17 74.572 -5.239 31.443 1.00 0.00 C ATOM 265 C SER A 17 74.741 -5.925 30.081 1.00 0.00 C ATOM 266 O SER A 17 74.912 -7.125 30.001 1.00 0.00 O ATOM 267 CB SER A 17 73.097 -4.907 31.662 1.00 0.00 C ATOM 268 OG SER A 17 72.606 -4.183 30.541 1.00 0.00 O ATOM 0 H SER A 17 74.858 -3.127 31.631 1.00 0.00 H new ATOM 0 HA SER A 17 74.914 -5.908 32.233 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.523 -5.823 31.797 1.00 0.00 H new ATOM 0 HB3 SER A 17 72.976 -4.318 32.571 1.00 0.00 H new ATOM 0 HG SER A 17 73.221 -3.449 30.331 1.00 0.00 H new ATOM 274 N ASN A 18 74.700 -5.175 29.006 1.00 0.00 N ATOM 275 CA ASN A 18 74.866 -5.794 27.656 1.00 0.00 C ATOM 276 C ASN A 18 76.335 -5.703 27.236 1.00 0.00 C ATOM 277 O ASN A 18 76.760 -4.741 26.628 1.00 0.00 O ATOM 278 CB ASN A 18 73.999 -5.046 26.641 1.00 0.00 C ATOM 279 CG ASN A 18 72.518 -5.257 26.975 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.769 -4.306 27.086 1.00 0.00 O ATOM 281 ND2 ASN A 18 72.062 -6.471 27.142 1.00 0.00 N ATOM 0 H ASN A 18 74.559 -4.165 29.006 1.00 0.00 H new ATOM 0 HA ASN A 18 74.560 -6.839 27.693 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.238 -3.983 26.657 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.210 -5.405 25.633 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.078 -6.620 27.365 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.690 -7.269 27.049 1.00 0.00 H new ATOM 288 N TRP A 19 77.112 -6.698 27.551 1.00 0.00 N ATOM 289 CA TRP A 19 78.548 -6.672 27.166 1.00 0.00 C ATOM 290 C TRP A 19 78.680 -6.865 25.655 1.00 0.00 C ATOM 291 O TRP A 19 79.676 -6.501 25.061 1.00 0.00 O ATOM 292 CB TRP A 19 79.302 -7.774 27.907 1.00 0.00 C ATOM 293 CG TRP A 19 78.790 -9.113 27.506 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.893 -9.846 28.205 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.136 -9.897 26.334 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.672 -11.037 27.536 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.417 -11.113 26.375 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.000 -9.671 25.249 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.550 -12.075 25.372 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.137 -10.634 24.238 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.413 -11.836 24.300 1.00 0.00 C ATOM 0 H TRP A 19 76.814 -7.530 28.060 1.00 0.00 H new ATOM 0 HA TRP A 19 78.978 -5.708 27.438 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.368 -7.705 27.688 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.188 -7.641 28.983 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.426 -9.550 29.133 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.038 -11.768 27.860 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.562 -8.750 25.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 77.990 -12.997 25.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.803 -10.450 23.408 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.523 -12.575 23.520 1.00 0.00 H new ATOM 312 N ARG A 20 77.695 -7.454 25.030 1.00 0.00 N ATOM 313 CA ARG A 20 77.785 -7.688 23.559 1.00 0.00 C ATOM 314 C ARG A 20 77.845 -6.352 22.815 1.00 0.00 C ATOM 315 O ARG A 20 78.579 -6.201 21.860 1.00 0.00 O ATOM 316 CB ARG A 20 76.555 -8.476 23.087 1.00 0.00 C ATOM 317 CG ARG A 20 76.620 -9.901 23.638 1.00 0.00 C ATOM 318 CD ARG A 20 75.422 -10.708 23.135 1.00 0.00 C ATOM 319 NE ARG A 20 75.550 -10.930 21.667 1.00 0.00 N ATOM 320 CZ ARG A 20 74.857 -11.877 21.096 1.00 0.00 C ATOM 321 NH1 ARG A 20 74.060 -12.619 21.813 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.963 -12.084 19.811 1.00 0.00 N ATOM 0 H ARG A 20 76.836 -7.782 25.472 1.00 0.00 H new ATOM 0 HA ARG A 20 78.690 -8.257 23.347 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.643 -7.985 23.426 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.519 -8.497 21.998 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.549 -10.379 23.326 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.623 -9.879 24.728 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.371 -11.665 23.655 1.00 0.00 H new ATOM 0 HD3 ARG A 20 74.495 -10.177 23.353 1.00 0.00 H new ATOM 0 HE ARG A 20 76.175 -10.346 21.112 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.980 -12.458 22.817 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.517 -13.360 21.370 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.589 -11.505 19.251 1.00 0.00 H new ATOM 0 HH22 ARG A 20 74.420 -12.825 19.367 1.00 0.00 H new ATOM 336 N ALA A 21 77.090 -5.377 23.240 1.00 0.00 N ATOM 337 CA ALA A 21 77.124 -4.060 22.538 1.00 0.00 C ATOM 338 C ALA A 21 78.537 -3.479 22.608 1.00 0.00 C ATOM 339 O ALA A 21 79.039 -2.918 21.655 1.00 0.00 O ATOM 340 CB ALA A 21 76.151 -3.088 23.209 1.00 0.00 C ATOM 0 H ALA A 21 76.455 -5.432 24.036 1.00 0.00 H new ATOM 0 HA ALA A 21 76.835 -4.205 21.497 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.181 -2.129 22.692 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.141 -3.494 23.162 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.438 -2.947 24.251 1.00 0.00 H new ATOM 346 N MET A 22 79.177 -3.600 23.738 1.00 0.00 N ATOM 347 CA MET A 22 80.552 -3.051 23.881 1.00 0.00 C ATOM 348 C MET A 22 81.494 -3.757 22.909 1.00 0.00 C ATOM 349 O MET A 22 82.284 -3.135 22.228 1.00 0.00 O ATOM 350 CB MET A 22 81.028 -3.293 25.313 1.00 0.00 C ATOM 351 CG MET A 22 82.313 -2.506 25.576 1.00 0.00 C ATOM 352 SD MET A 22 83.088 -3.108 27.100 1.00 0.00 S ATOM 353 CE MET A 22 81.671 -2.877 28.204 1.00 0.00 C ATOM 0 H MET A 22 78.805 -4.057 24.570 1.00 0.00 H new ATOM 0 HA MET A 22 80.548 -1.983 23.661 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.255 -2.989 26.018 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.204 -4.357 25.472 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.000 -2.619 24.737 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.090 -1.443 25.664 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.020 -2.810 29.234 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.148 -1.959 27.937 1.00 0.00 H new ATOM 0 HE3 MET A 22 80.991 -3.723 28.106 1.00 0.00 H new ATOM 363 N ALA A 23 81.417 -5.055 22.840 1.00 0.00 N ATOM 364 CA ALA A 23 82.311 -5.803 21.914 1.00 0.00 C ATOM 365 C ALA A 23 82.003 -5.405 20.472 1.00 0.00 C ATOM 366 O ALA A 23 82.890 -5.223 19.662 1.00 0.00 O ATOM 367 CB ALA A 23 82.074 -7.305 22.084 1.00 0.00 C ATOM 0 H ALA A 23 80.774 -5.631 23.384 1.00 0.00 H new ATOM 0 HA ALA A 23 83.350 -5.566 22.143 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.727 -7.855 21.407 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.291 -7.594 23.112 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.034 -7.538 21.854 1.00 0.00 H new ATOM 373 N SER A 24 80.751 -5.278 20.145 1.00 0.00 N ATOM 374 CA SER A 24 80.382 -4.904 18.754 1.00 0.00 C ATOM 375 C SER A 24 80.868 -3.487 18.443 1.00 0.00 C ATOM 376 O SER A 24 81.339 -3.208 17.359 1.00 0.00 O ATOM 377 CB SER A 24 78.863 -4.961 18.608 1.00 0.00 C ATOM 378 OG SER A 24 78.422 -6.299 18.801 1.00 0.00 O ATOM 0 H SER A 24 79.966 -5.417 20.781 1.00 0.00 H new ATOM 0 HA SER A 24 80.851 -5.600 18.058 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.391 -4.302 19.337 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.568 -4.608 17.620 1.00 0.00 H new ATOM 0 HG SER A 24 78.395 -6.500 19.760 1.00 0.00 H new ATOM 384 N ASP A 25 80.745 -2.588 19.379 1.00 0.00 N ATOM 385 CA ASP A 25 81.185 -1.185 19.126 1.00 0.00 C ATOM 386 C ASP A 25 82.696 -1.121 18.892 1.00 0.00 C ATOM 387 O ASP A 25 83.170 -0.388 18.049 1.00 0.00 O ATOM 388 CB ASP A 25 80.828 -0.315 20.331 1.00 0.00 C ATOM 389 CG ASP A 25 79.312 -0.121 20.394 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.707 0.003 19.342 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.784 -0.097 21.495 1.00 0.00 O ATOM 0 H ASP A 25 80.360 -2.762 20.307 1.00 0.00 H new ATOM 0 HA ASP A 25 80.676 -0.820 18.234 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.183 -0.784 21.249 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.325 0.652 20.254 1.00 0.00 H new ATOM 396 N PHE A 26 83.458 -1.876 19.641 1.00 0.00 N ATOM 397 CA PHE A 26 84.949 -1.852 19.478 1.00 0.00 C ATOM 398 C PHE A 26 85.414 -3.064 18.675 1.00 0.00 C ATOM 399 O PHE A 26 86.593 -3.252 18.452 1.00 0.00 O ATOM 400 CB PHE A 26 85.601 -1.887 20.858 1.00 0.00 C ATOM 401 CG PHE A 26 85.375 -0.568 21.556 1.00 0.00 C ATOM 402 CD1 PHE A 26 84.161 -0.320 22.208 1.00 0.00 C ATOM 403 CD2 PHE A 26 86.379 0.410 21.547 1.00 0.00 C ATOM 404 CE1 PHE A 26 83.951 0.903 22.852 1.00 0.00 C ATOM 405 CE2 PHE A 26 86.169 1.633 22.193 1.00 0.00 C ATOM 406 CZ PHE A 26 84.955 1.880 22.846 1.00 0.00 C ATOM 0 H PHE A 26 83.114 -2.511 20.361 1.00 0.00 H new ATOM 0 HA PHE A 26 85.235 -0.944 18.947 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.181 -2.700 21.450 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.669 -2.081 20.762 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.387 -1.073 22.213 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.314 0.220 21.042 1.00 0.00 H new ATOM 0 HE1 PHE A 26 83.014 1.095 23.354 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.943 2.386 22.188 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.793 2.824 23.345 1.00 0.00 H new ATOM 416 N ASN A 27 84.503 -3.887 18.242 1.00 0.00 N ATOM 417 CA ASN A 27 84.899 -5.088 17.453 1.00 0.00 C ATOM 418 C ASN A 27 85.949 -5.894 18.220 1.00 0.00 C ATOM 419 O ASN A 27 86.974 -6.266 17.683 1.00 0.00 O ATOM 420 CB ASN A 27 85.467 -4.648 16.101 1.00 0.00 C ATOM 421 CG ASN A 27 84.347 -4.032 15.265 1.00 0.00 C ATOM 422 OD1 ASN A 27 84.504 -2.967 14.703 1.00 0.00 O ATOM 423 ND2 ASN A 27 83.209 -4.663 15.165 1.00 0.00 N ATOM 0 H ASN A 27 83.501 -3.782 18.399 1.00 0.00 H new ATOM 0 HA ASN A 27 84.022 -5.715 17.290 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.269 -3.924 16.248 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.900 -5.502 15.579 1.00 0.00 H new ATOM 0 HD21 ASN A 27 82.450 -4.262 14.614 1.00 0.00 H new ATOM 0 HD22 ASN A 27 83.079 -5.557 15.638 1.00 0.00 H new ATOM 430 N LEU A 28 85.695 -6.166 19.476 1.00 0.00 N ATOM 431 CA LEU A 28 86.660 -6.958 20.310 1.00 0.00 C ATOM 432 C LEU A 28 85.976 -8.254 20.759 1.00 0.00 C ATOM 433 O LEU A 28 84.772 -8.299 20.889 1.00 0.00 O ATOM 434 CB LEU A 28 87.036 -6.139 21.553 1.00 0.00 C ATOM 435 CG LEU A 28 87.960 -4.972 21.167 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.983 -3.960 22.316 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.395 -5.473 20.911 1.00 0.00 C ATOM 0 H LEU A 28 84.851 -5.871 19.967 1.00 0.00 H new ATOM 0 HA LEU A 28 87.554 -7.186 19.730 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.134 -5.755 22.030 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.533 -6.779 22.281 1.00 0.00 H new ATOM 0 HG LEU A 28 87.583 -4.510 20.255 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.635 -3.127 22.054 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.974 -3.589 22.494 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.356 -4.443 23.219 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.031 -4.631 20.639 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.782 -5.944 21.814 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.387 -6.199 20.098 1.00 0.00 H new ATOM 449 N PRO A 29 86.726 -9.301 21.003 1.00 0.00 N ATOM 450 CA PRO A 29 86.147 -10.604 21.452 1.00 0.00 C ATOM 451 C PRO A 29 85.596 -10.512 22.891 1.00 0.00 C ATOM 452 O PRO A 29 86.084 -9.733 23.685 1.00 0.00 O ATOM 453 CB PRO A 29 87.338 -11.574 21.377 1.00 0.00 C ATOM 454 CG PRO A 29 88.548 -10.708 21.523 1.00 0.00 C ATOM 455 CD PRO A 29 88.193 -9.372 20.872 1.00 0.00 C ATOM 0 HA PRO A 29 85.302 -10.919 20.840 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.289 -12.322 22.169 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.350 -12.113 20.430 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.807 -10.573 22.573 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.412 -11.161 21.037 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.681 -8.538 21.376 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.504 -9.340 19.828 1.00 0.00 H new ATOM 463 N PRO A 30 84.591 -11.291 23.232 1.00 0.00 N ATOM 464 CA PRO A 30 84.001 -11.261 24.600 1.00 0.00 C ATOM 465 C PRO A 30 85.071 -11.226 25.697 1.00 0.00 C ATOM 466 O PRO A 30 84.804 -10.861 26.822 1.00 0.00 O ATOM 467 CB PRO A 30 83.195 -12.568 24.684 1.00 0.00 C ATOM 468 CG PRO A 30 82.833 -12.908 23.271 1.00 0.00 C ATOM 469 CD PRO A 30 83.910 -12.279 22.367 1.00 0.00 C ATOM 0 HA PRO A 30 83.399 -10.366 24.756 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.784 -13.364 25.140 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.303 -12.440 25.297 1.00 0.00 H new ATOM 0 HG2 PRO A 30 82.795 -13.988 23.132 1.00 0.00 H new ATOM 0 HG3 PRO A 30 81.845 -12.520 23.022 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.608 -13.031 21.999 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.466 -11.802 21.494 1.00 0.00 H new ATOM 477 N VAL A 31 86.269 -11.631 25.391 1.00 0.00 N ATOM 478 CA VAL A 31 87.325 -11.646 26.441 1.00 0.00 C ATOM 479 C VAL A 31 87.553 -10.240 26.996 1.00 0.00 C ATOM 480 O VAL A 31 87.568 -10.041 28.193 1.00 0.00 O ATOM 481 CB VAL A 31 88.628 -12.187 25.845 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.773 -12.033 26.853 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.442 -13.666 25.502 1.00 0.00 C ATOM 0 H VAL A 31 86.563 -11.950 24.468 1.00 0.00 H new ATOM 0 HA VAL A 31 87.000 -12.290 27.258 1.00 0.00 H new ATOM 0 HB VAL A 31 88.875 -11.625 24.944 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.695 -12.421 26.419 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.903 -10.979 27.098 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.537 -12.590 27.760 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.365 -14.060 25.077 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.194 -14.221 26.407 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.635 -13.773 24.778 1.00 0.00 H new ATOM 493 N VAL A 32 87.744 -9.265 26.157 1.00 0.00 N ATOM 494 CA VAL A 32 87.977 -7.894 26.689 1.00 0.00 C ATOM 495 C VAL A 32 86.691 -7.376 27.332 1.00 0.00 C ATOM 496 O VAL A 32 86.706 -6.815 28.409 1.00 0.00 O ATOM 497 CB VAL A 32 88.408 -6.953 25.559 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.592 -5.538 26.119 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.734 -7.442 24.961 1.00 0.00 C ATOM 0 H VAL A 32 87.750 -9.353 25.141 1.00 0.00 H new ATOM 0 HA VAL A 32 88.771 -7.930 27.435 1.00 0.00 H new ATOM 0 HB VAL A 32 87.643 -6.943 24.783 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.899 -4.866 25.317 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.651 -5.190 26.544 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.358 -5.550 26.895 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.040 -6.772 24.157 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.501 -7.453 25.736 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.605 -8.449 24.564 1.00 0.00 H new ATOM 509 N ALA A 33 85.575 -7.566 26.683 1.00 0.00 N ATOM 510 CA ALA A 33 84.292 -7.084 27.261 1.00 0.00 C ATOM 511 C ALA A 33 83.992 -7.832 28.564 1.00 0.00 C ATOM 512 O ALA A 33 83.554 -7.245 29.534 1.00 0.00 O ATOM 513 CB ALA A 33 83.153 -7.309 26.263 1.00 0.00 C ATOM 0 H ALA A 33 85.498 -8.033 25.780 1.00 0.00 H new ATOM 0 HA ALA A 33 84.378 -6.018 27.472 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.217 -6.954 26.693 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.361 -6.761 25.344 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.069 -8.373 26.040 1.00 0.00 H new ATOM 519 N LYS A 34 84.226 -9.120 28.605 1.00 0.00 N ATOM 520 CA LYS A 34 83.952 -9.873 29.862 1.00 0.00 C ATOM 521 C LYS A 34 84.892 -9.392 30.970 1.00 0.00 C ATOM 522 O LYS A 34 84.497 -9.254 32.113 1.00 0.00 O ATOM 523 CB LYS A 34 84.149 -11.378 29.623 1.00 0.00 C ATOM 524 CG LYS A 34 83.029 -11.930 28.720 1.00 0.00 C ATOM 525 CD LYS A 34 81.761 -12.199 29.544 1.00 0.00 C ATOM 526 CE LYS A 34 80.739 -12.934 28.676 1.00 0.00 C ATOM 527 NZ LYS A 34 81.177 -14.343 28.490 1.00 0.00 N ATOM 0 H LYS A 34 84.591 -9.675 27.831 1.00 0.00 H new ATOM 0 HA LYS A 34 82.921 -9.695 30.168 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.119 -11.555 29.159 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.150 -11.907 30.576 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.809 -11.217 27.925 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.361 -12.851 28.240 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.005 -12.796 30.423 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.341 -11.259 29.903 1.00 0.00 H new ATOM 0 HE2 LYS A 34 79.757 -12.905 29.147 1.00 0.00 H new ATOM 0 HE3 LYS A 34 80.643 -12.440 27.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.363 -14.925 28.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.906 -14.385 27.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 81.569 -14.705 29.382 1.00 0.00 H new ATOM 541 N GLU A 35 86.134 -9.143 30.650 1.00 0.00 N ATOM 542 CA GLU A 35 87.091 -8.683 31.699 1.00 0.00 C ATOM 543 C GLU A 35 86.615 -7.354 32.292 1.00 0.00 C ATOM 544 O GLU A 35 86.681 -7.139 33.487 1.00 0.00 O ATOM 545 CB GLU A 35 88.479 -8.489 31.075 1.00 0.00 C ATOM 546 CG GLU A 35 89.546 -8.427 32.177 1.00 0.00 C ATOM 547 CD GLU A 35 89.453 -7.084 32.903 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.725 -6.071 32.276 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.111 -7.090 34.076 1.00 0.00 O ATOM 0 H GLU A 35 86.526 -9.237 29.713 1.00 0.00 H new ATOM 0 HA GLU A 35 87.143 -9.433 32.488 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.697 -9.310 30.392 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.498 -7.571 30.487 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.402 -9.245 32.883 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.539 -8.550 31.744 1.00 0.00 H new ATOM 556 N ILE A 36 86.137 -6.457 31.473 1.00 0.00 N ATOM 557 CA ILE A 36 85.669 -5.146 32.005 1.00 0.00 C ATOM 558 C ILE A 36 84.468 -5.368 32.936 1.00 0.00 C ATOM 559 O ILE A 36 84.354 -4.751 33.977 1.00 0.00 O ATOM 560 CB ILE A 36 85.269 -4.241 30.836 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.521 -3.851 30.043 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.606 -2.973 31.372 1.00 0.00 C ATOM 563 CD1 ILE A 36 86.103 -3.208 28.719 1.00 0.00 C ATOM 0 H ILE A 36 86.051 -6.574 30.463 1.00 0.00 H new ATOM 0 HA ILE A 36 86.470 -4.670 32.570 1.00 0.00 H new ATOM 0 HB ILE A 36 84.572 -4.775 30.190 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.130 -3.156 30.621 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.135 -4.732 29.855 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.322 -2.331 30.538 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.717 -3.241 31.943 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.305 -2.442 32.018 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.992 -2.930 28.153 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.512 -3.918 28.140 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.507 -2.318 28.919 1.00 0.00 H new ATOM 575 N VAL A 37 83.579 -6.256 32.574 1.00 0.00 N ATOM 576 CA VAL A 37 82.390 -6.532 33.436 1.00 0.00 C ATOM 577 C VAL A 37 82.870 -7.090 34.778 1.00 0.00 C ATOM 578 O VAL A 37 82.345 -6.766 35.825 1.00 0.00 O ATOM 579 CB VAL A 37 81.495 -7.561 32.736 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.396 -8.045 33.687 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.854 -6.920 31.508 1.00 0.00 C ATOM 0 H VAL A 37 83.625 -6.804 31.715 1.00 0.00 H new ATOM 0 HA VAL A 37 81.824 -5.616 33.605 1.00 0.00 H new ATOM 0 HB VAL A 37 82.104 -8.414 32.436 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.768 -8.775 33.176 1.00 0.00 H new ATOM 0 HG12 VAL A 37 80.851 -8.507 34.563 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.786 -7.197 33.999 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.217 -7.649 31.008 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.253 -6.064 31.816 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.633 -6.588 30.822 1.00 0.00 H new ATOM 591 N ALA A 38 83.863 -7.933 34.745 1.00 0.00 N ATOM 592 CA ALA A 38 84.391 -8.530 36.003 1.00 0.00 C ATOM 593 C ALA A 38 85.068 -7.448 36.850 1.00 0.00 C ATOM 594 O ALA A 38 85.132 -7.546 38.059 1.00 0.00 O ATOM 595 CB ALA A 38 85.412 -9.618 35.667 1.00 0.00 C ATOM 0 H ALA A 38 84.335 -8.237 33.894 1.00 0.00 H new ATOM 0 HA ALA A 38 83.563 -8.964 36.564 1.00 0.00 H new ATOM 0 HB1 ALA A 38 85.797 -10.053 36.589 1.00 0.00 H new ATOM 0 HB2 ALA A 38 84.933 -10.395 35.071 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.235 -9.182 35.101 1.00 0.00 H new ATOM 601 N SER A 39 85.584 -6.423 36.229 1.00 0.00 N ATOM 602 CA SER A 39 86.264 -5.350 37.008 1.00 0.00 C ATOM 603 C SER A 39 85.224 -4.516 37.762 1.00 0.00 C ATOM 604 O SER A 39 85.449 -4.093 38.879 1.00 0.00 O ATOM 605 CB SER A 39 87.055 -4.445 36.058 1.00 0.00 C ATOM 606 OG SER A 39 88.019 -5.224 35.360 1.00 0.00 O ATOM 0 H SER A 39 85.564 -6.282 35.219 1.00 0.00 H new ATOM 0 HA SER A 39 86.946 -5.807 37.725 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.380 -3.962 35.351 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.549 -3.652 36.620 1.00 0.00 H new ATOM 0 HG SER A 39 87.561 -5.866 34.778 1.00 0.00 H new ATOM 612 N CYS A 40 84.082 -4.279 37.171 1.00 0.00 N ATOM 613 CA CYS A 40 83.038 -3.474 37.871 1.00 0.00 C ATOM 614 C CYS A 40 82.422 -4.317 38.993 1.00 0.00 C ATOM 615 O CYS A 40 81.791 -5.326 38.747 1.00 0.00 O ATOM 616 CB CYS A 40 81.949 -3.069 36.873 1.00 0.00 C ATOM 617 SG CYS A 40 80.970 -1.712 37.562 1.00 0.00 S ATOM 0 H CYS A 40 83.828 -4.606 36.239 1.00 0.00 H new ATOM 0 HA CYS A 40 83.488 -2.576 38.294 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.401 -2.762 35.930 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.305 -3.921 36.655 1.00 0.00 H new ATOM 0 HG CYS A 40 80.523 -0.965 36.596 1.00 0.00 H new ATOM 622 N ASP A 41 82.612 -3.918 40.223 1.00 0.00 N ATOM 623 CA ASP A 41 82.047 -4.701 41.363 1.00 0.00 C ATOM 624 C ASP A 41 80.520 -4.758 41.275 1.00 0.00 C ATOM 625 O ASP A 41 79.912 -5.772 41.557 1.00 0.00 O ATOM 626 CB ASP A 41 82.454 -4.043 42.684 1.00 0.00 C ATOM 627 CG ASP A 41 83.954 -4.236 42.911 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.724 -3.501 42.315 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.305 -5.114 43.682 1.00 0.00 O ATOM 0 H ASP A 41 83.134 -3.083 40.488 1.00 0.00 H new ATOM 0 HA ASP A 41 82.439 -5.717 41.316 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.213 -2.980 42.662 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.892 -4.481 43.509 1.00 0.00 H new ATOM 634 N LYS A 42 79.895 -3.679 40.906 1.00 0.00 N ATOM 635 CA LYS A 42 78.408 -3.669 40.818 1.00 0.00 C ATOM 636 C LYS A 42 77.936 -4.726 39.820 1.00 0.00 C ATOM 637 O LYS A 42 76.947 -5.398 40.035 1.00 0.00 O ATOM 638 CB LYS A 42 77.937 -2.295 40.347 1.00 0.00 C ATOM 639 CG LYS A 42 78.193 -1.249 41.434 1.00 0.00 C ATOM 640 CD LYS A 42 77.714 0.118 40.933 1.00 0.00 C ATOM 641 CE LYS A 42 77.960 1.189 42.002 1.00 0.00 C ATOM 642 NZ LYS A 42 79.405 1.215 42.370 1.00 0.00 N ATOM 0 H LYS A 42 80.349 -2.799 40.660 1.00 0.00 H new ATOM 0 HA LYS A 42 77.993 -3.889 41.802 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.461 -2.016 39.433 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.874 -2.329 40.107 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.667 -1.520 42.349 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.255 -1.210 41.677 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.240 0.382 40.015 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.652 0.073 40.690 1.00 0.00 H new ATOM 0 HE2 LYS A 42 77.653 2.166 41.628 1.00 0.00 H new ATOM 0 HE3 LYS A 42 77.355 0.981 42.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 79.633 2.126 42.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 79.607 0.443 43.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 79.983 1.094 41.514 1.00 0.00 H new ATOM 656 N CYS A 43 78.621 -4.869 38.720 1.00 0.00 N ATOM 657 CA CYS A 43 78.193 -5.876 37.711 1.00 0.00 C ATOM 658 C CYS A 43 78.615 -7.287 38.149 1.00 0.00 C ATOM 659 O CYS A 43 77.947 -8.261 37.864 1.00 0.00 O ATOM 660 CB CYS A 43 78.852 -5.573 36.366 1.00 0.00 C ATOM 661 SG CYS A 43 78.594 -3.840 35.927 1.00 0.00 S ATOM 0 H CYS A 43 79.455 -4.334 38.477 1.00 0.00 H new ATOM 0 HA CYS A 43 77.108 -5.829 37.621 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.919 -5.788 36.418 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.434 -6.218 35.593 1.00 0.00 H new ATOM 0 HG CYS A 43 79.387 -3.091 36.634 1.00 0.00 H new ATOM 666 N GLN A 44 79.742 -7.402 38.805 1.00 0.00 N ATOM 667 CA GLN A 44 80.236 -8.751 39.224 1.00 0.00 C ATOM 668 C GLN A 44 79.525 -9.237 40.492 1.00 0.00 C ATOM 669 O GLN A 44 78.750 -10.174 40.462 1.00 0.00 O ATOM 670 CB GLN A 44 81.744 -8.665 39.496 1.00 0.00 C ATOM 671 CG GLN A 44 82.296 -10.044 39.879 1.00 0.00 C ATOM 672 CD GLN A 44 83.800 -9.933 40.139 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.616 -9.795 39.129 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.236 -9.972 41.272 1.00 0.00 N ATOM 0 H GLN A 44 80.342 -6.621 39.069 1.00 0.00 H new ATOM 0 HA GLN A 44 80.027 -9.460 38.422 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.259 -8.293 38.611 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.935 -7.953 40.299 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.788 -10.417 40.768 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.106 -10.760 39.079 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.598 -10.080 42.061 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.240 -9.897 41.435 1.00 0.00 H new ATOM 844 N PHE B 1 94.016 -14.520 21.987 1.00 0.00 N ATOM 845 CA PHE B 1 92.815 -14.216 22.815 1.00 0.00 C ATOM 846 C PHE B 1 92.170 -15.531 23.266 1.00 0.00 C ATOM 847 O PHE B 1 92.542 -16.105 24.269 1.00 0.00 O ATOM 848 CB PHE B 1 91.813 -13.407 21.978 1.00 0.00 C ATOM 849 CG PHE B 1 92.221 -11.950 21.952 1.00 0.00 C ATOM 850 CD1 PHE B 1 93.127 -11.491 20.987 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.691 -11.060 22.894 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.501 -10.143 20.966 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.067 -9.713 22.872 1.00 0.00 C ATOM 854 CZ PHE B 1 92.971 -9.254 21.907 1.00 0.00 C ATOM 0 H1 PHE B 1 94.208 -13.722 21.348 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.837 -14.671 22.608 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.843 -15.379 21.427 1.00 0.00 H new ATOM 0 HA PHE B 1 93.105 -13.635 23.690 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.773 -13.801 20.962 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.812 -13.506 22.398 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.536 -12.177 20.260 1.00 0.00 H new ATOM 0 HD2 PHE B 1 90.992 -11.414 23.637 1.00 0.00 H new ATOM 0 HE1 PHE B 1 94.200 -9.788 20.223 1.00 0.00 H new ATOM 0 HE2 PHE B 1 91.660 -9.027 23.600 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.259 -8.213 21.889 1.00 0.00 H new ATOM 866 N LEU B 2 91.201 -16.002 22.531 1.00 0.00 N ATOM 867 CA LEU B 2 90.515 -17.273 22.907 1.00 0.00 C ATOM 868 C LEU B 2 91.508 -18.438 22.919 1.00 0.00 C ATOM 869 O LEU B 2 91.461 -19.290 23.781 1.00 0.00 O ATOM 870 CB LEU B 2 89.413 -17.561 21.884 1.00 0.00 C ATOM 871 CG LEU B 2 88.386 -16.418 21.881 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.385 -16.642 20.743 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.638 -16.373 23.222 1.00 0.00 C ATOM 0 H LEU B 2 90.852 -15.559 21.681 1.00 0.00 H new ATOM 0 HA LEU B 2 90.090 -17.166 23.905 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.848 -17.673 20.891 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.920 -18.503 22.124 1.00 0.00 H new ATOM 0 HG LEU B 2 88.905 -15.471 21.736 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.654 -15.833 20.737 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.915 -16.660 19.791 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.873 -17.593 20.891 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.913 -15.559 23.207 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.119 -17.318 23.381 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.350 -16.210 24.031 1.00 0.00 H new ATOM 885 N ASP B 3 92.401 -18.493 21.970 1.00 0.00 N ATOM 886 CA ASP B 3 93.378 -19.622 21.943 1.00 0.00 C ATOM 887 C ASP B 3 94.305 -19.541 23.150 1.00 0.00 C ATOM 888 O ASP B 3 94.617 -20.536 23.774 1.00 0.00 O ATOM 889 CB ASP B 3 94.215 -19.538 20.671 1.00 0.00 C ATOM 890 CG ASP B 3 93.347 -19.899 19.464 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.631 -20.882 19.552 1.00 0.00 O ATOM 892 OD2 ASP B 3 93.415 -19.189 18.477 1.00 0.00 O ATOM 0 H ASP B 3 92.498 -17.812 21.217 1.00 0.00 H new ATOM 0 HA ASP B 3 92.830 -20.564 21.969 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.619 -18.532 20.554 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.065 -20.217 20.737 1.00 0.00 H new ATOM 897 N GLY B 4 94.741 -18.366 23.488 1.00 0.00 N ATOM 898 CA GLY B 4 95.651 -18.219 24.658 1.00 0.00 C ATOM 899 C GLY B 4 94.909 -18.642 25.925 1.00 0.00 C ATOM 900 O GLY B 4 95.483 -19.210 26.833 1.00 0.00 O ATOM 0 H GLY B 4 94.508 -17.497 23.006 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.541 -18.833 24.521 1.00 0.00 H new ATOM 0 HA3 GLY B 4 95.986 -17.186 24.746 1.00 0.00 H new ATOM 904 N ILE B 5 93.639 -18.365 25.992 1.00 0.00 N ATOM 905 CA ILE B 5 92.848 -18.743 27.199 1.00 0.00 C ATOM 906 C ILE B 5 92.716 -20.265 27.291 1.00 0.00 C ATOM 907 O ILE B 5 92.785 -20.835 28.362 1.00 0.00 O ATOM 908 CB ILE B 5 91.460 -18.097 27.113 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.599 -16.591 27.343 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.527 -18.704 28.170 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.286 -15.894 26.990 1.00 0.00 C ATOM 0 H ILE B 5 93.110 -17.891 25.260 1.00 0.00 H new ATOM 0 HA ILE B 5 93.360 -18.388 28.093 1.00 0.00 H new ATOM 0 HB ILE B 5 91.033 -18.282 26.127 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.858 -16.394 28.383 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.409 -16.193 26.732 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.544 -18.237 28.099 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.433 -19.776 27.999 1.00 0.00 H new ATOM 0 HG23 ILE B 5 90.941 -18.530 29.163 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.388 -14.821 27.155 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.046 -16.079 25.943 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.486 -16.284 27.620 1.00 0.00 H new ATOM 923 N ASP B 6 92.512 -20.926 26.187 1.00 0.00 N ATOM 924 CA ASP B 6 92.356 -22.405 26.236 1.00 0.00 C ATOM 925 C ASP B 6 93.618 -23.038 26.818 1.00 0.00 C ATOM 926 O ASP B 6 93.549 -23.899 27.676 1.00 0.00 O ATOM 927 CB ASP B 6 92.125 -22.940 24.819 1.00 0.00 C ATOM 928 CG ASP B 6 90.729 -22.537 24.337 1.00 0.00 C ATOM 929 OD1 ASP B 6 89.770 -23.137 24.795 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.643 -21.635 23.521 1.00 0.00 O ATOM 0 H ASP B 6 92.447 -20.509 25.258 1.00 0.00 H new ATOM 0 HA ASP B 6 91.503 -22.657 26.866 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.882 -22.544 24.142 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.225 -24.025 24.809 1.00 0.00 H new ATOM 935 N LYS B 7 94.771 -22.621 26.384 1.00 0.00 N ATOM 936 CA LYS B 7 96.018 -23.210 26.948 1.00 0.00 C ATOM 937 C LYS B 7 96.177 -22.742 28.398 1.00 0.00 C ATOM 938 O LYS B 7 96.565 -23.497 29.268 1.00 0.00 O ATOM 939 CB LYS B 7 97.224 -22.757 26.119 1.00 0.00 C ATOM 940 CG LYS B 7 97.179 -23.425 24.743 1.00 0.00 C ATOM 941 CD LYS B 7 98.387 -22.974 23.918 1.00 0.00 C ATOM 942 CE LYS B 7 98.358 -23.665 22.555 1.00 0.00 C ATOM 943 NZ LYS B 7 97.134 -23.253 21.811 1.00 0.00 N ATOM 0 H LYS B 7 94.906 -21.905 25.670 1.00 0.00 H new ATOM 0 HA LYS B 7 95.959 -24.298 26.919 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.216 -21.673 26.009 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.150 -23.018 26.632 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.184 -24.509 24.853 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.255 -23.161 24.229 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.370 -21.892 23.790 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.311 -23.218 24.442 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.248 -23.402 21.984 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.370 -24.747 22.684 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 97.262 -23.448 20.798 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 96.316 -23.787 22.166 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 96.970 -22.235 21.949 1.00 0.00 H new ATOM 957 N ALA B 8 95.885 -21.494 28.658 1.00 0.00 N ATOM 958 CA ALA B 8 96.013 -20.950 30.047 1.00 0.00 C ATOM 959 C ALA B 8 94.927 -21.531 30.961 1.00 0.00 C ATOM 960 O ALA B 8 95.154 -21.771 32.131 1.00 0.00 O ATOM 961 CB ALA B 8 95.882 -19.426 30.017 1.00 0.00 C ATOM 0 H ALA B 8 95.561 -20.821 27.963 1.00 0.00 H new ATOM 0 HA ALA B 8 96.991 -21.232 30.438 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.976 -19.033 31.029 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.668 -19.005 29.390 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.909 -19.152 29.610 1.00 0.00 H new ATOM 967 N GLN B 9 93.742 -21.725 30.447 1.00 0.00 N ATOM 968 CA GLN B 9 92.638 -22.253 31.299 1.00 0.00 C ATOM 969 C GLN B 9 92.999 -23.655 31.794 1.00 0.00 C ATOM 970 O GLN B 9 93.554 -24.459 31.073 1.00 0.00 O ATOM 971 CB GLN B 9 91.349 -22.307 30.476 1.00 0.00 C ATOM 972 CG GLN B 9 90.191 -22.773 31.361 1.00 0.00 C ATOM 973 CD GLN B 9 88.902 -22.816 30.540 1.00 0.00 C ATOM 974 OE1 GLN B 9 88.862 -22.335 29.422 1.00 0.00 O ATOM 975 NE2 GLN B 9 87.841 -23.373 31.053 1.00 0.00 N ATOM 0 H GLN B 9 93.491 -21.541 29.476 1.00 0.00 H new ATOM 0 HA GLN B 9 92.491 -21.599 32.159 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.129 -21.323 30.061 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.472 -22.988 29.634 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.407 -23.760 31.769 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.072 -22.097 32.208 1.00 0.00 H new ATOM 0 HE21 GLN B 9 87.878 -23.775 31.990 1.00 0.00 H new ATOM 0 HE22 GLN B 9 86.973 -23.407 30.518 1.00 0.00 H new ATOM 984 N GLU B 10 92.700 -23.944 33.030 1.00 0.00 N ATOM 985 CA GLU B 10 93.033 -25.281 33.588 1.00 0.00 C ATOM 986 C GLU B 10 92.276 -25.470 34.903 1.00 0.00 C ATOM 987 O GLU B 10 91.472 -24.644 35.289 1.00 0.00 O ATOM 988 CB GLU B 10 94.545 -25.371 33.830 1.00 0.00 C ATOM 989 CG GLU B 10 94.950 -24.377 34.923 1.00 0.00 C ATOM 990 CD GLU B 10 96.475 -24.313 35.027 1.00 0.00 C ATOM 991 OE1 GLU B 10 97.110 -25.329 34.788 1.00 0.00 O ATOM 992 OE2 GLU B 10 96.982 -23.251 35.351 1.00 0.00 O ATOM 0 H GLU B 10 92.237 -23.308 33.679 1.00 0.00 H new ATOM 0 HA GLU B 10 92.742 -26.063 32.887 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.816 -26.384 34.127 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.085 -25.154 32.908 1.00 0.00 H new ATOM 0 HG2 GLU B 10 94.550 -23.389 34.695 1.00 0.00 H new ATOM 0 HG3 GLU B 10 94.524 -24.680 35.879 1.00 0.00 H new ATOM 999 N GLU B 11 92.518 -26.547 35.591 1.00 0.00 N ATOM 1000 CA GLU B 11 91.804 -26.785 36.876 1.00 0.00 C ATOM 1001 C GLU B 11 92.190 -25.702 37.893 1.00 0.00 C ATOM 1002 O GLU B 11 93.209 -25.052 37.770 1.00 0.00 O ATOM 1003 CB GLU B 11 92.165 -28.183 37.403 1.00 0.00 C ATOM 1004 CG GLU B 11 93.604 -28.534 37.001 1.00 0.00 C ATOM 1005 CD GLU B 11 94.121 -29.668 37.888 1.00 0.00 C ATOM 1006 OE1 GLU B 11 93.788 -30.810 37.611 1.00 0.00 O ATOM 1007 OE2 GLU B 11 94.834 -29.376 38.835 1.00 0.00 O ATOM 0 H GLU B 11 93.180 -27.275 35.320 1.00 0.00 H new ATOM 0 HA GLU B 11 90.727 -26.736 36.717 1.00 0.00 H new ATOM 0 HB2 GLU B 11 92.064 -28.210 38.488 1.00 0.00 H new ATOM 0 HB3 GLU B 11 91.474 -28.923 37.000 1.00 0.00 H new ATOM 0 HG2 GLU B 11 93.637 -28.834 35.954 1.00 0.00 H new ATOM 0 HG3 GLU B 11 94.245 -27.658 37.102 1.00 0.00 H new ATOM 1014 N HIS B 12 91.365 -25.490 38.886 1.00 0.00 N ATOM 1015 CA HIS B 12 91.659 -24.432 39.902 1.00 0.00 C ATOM 1016 C HIS B 12 92.830 -24.860 40.792 1.00 0.00 C ATOM 1017 O HIS B 12 92.646 -25.390 41.869 1.00 0.00 O ATOM 1018 CB HIS B 12 90.413 -24.213 40.764 1.00 0.00 C ATOM 1019 CG HIS B 12 90.727 -23.275 41.898 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.677 -21.895 41.755 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.078 -23.505 43.205 1.00 0.00 C ATOM 1022 CE1 HIS B 12 90.985 -21.351 42.953 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.236 -22.293 43.864 1.00 0.00 N ATOM 0 H HIS B 12 90.498 -26.005 39.038 1.00 0.00 H new ATOM 0 HA HIS B 12 91.929 -23.507 39.392 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.607 -23.803 40.155 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.061 -25.167 41.157 1.00 0.00 H new ATOM 0 HD1 HIS B 12 90.449 -21.385 40.902 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.211 -24.479 43.652 1.00 0.00 H new ATOM 0 HE1 HIS B 12 91.023 -20.289 43.148 1.00 0.00 H new ATOM 1031 N GLU B 13 94.037 -24.614 40.349 1.00 0.00 N ATOM 1032 CA GLU B 13 95.236 -24.985 41.161 1.00 0.00 C ATOM 1033 C GLU B 13 95.762 -23.744 41.895 1.00 0.00 C ATOM 1034 O GLU B 13 95.096 -22.731 41.975 1.00 0.00 O ATOM 1035 CB GLU B 13 96.325 -25.517 40.229 1.00 0.00 C ATOM 1036 CG GLU B 13 95.896 -26.875 39.667 1.00 0.00 C ATOM 1037 CD GLU B 13 96.947 -27.373 38.674 1.00 0.00 C ATOM 1038 OE1 GLU B 13 97.591 -26.541 38.053 1.00 0.00 O ATOM 1039 OE2 GLU B 13 97.093 -28.580 38.550 1.00 0.00 O ATOM 0 H GLU B 13 94.245 -24.170 39.455 1.00 0.00 H new ATOM 0 HA GLU B 13 94.963 -25.749 41.889 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.498 -24.813 39.415 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.266 -25.616 40.771 1.00 0.00 H new ATOM 0 HG2 GLU B 13 95.777 -27.594 40.477 1.00 0.00 H new ATOM 0 HG3 GLU B 13 94.928 -26.787 39.174 1.00 0.00 H new ATOM 1046 N LYS B 14 96.959 -23.814 42.415 1.00 0.00 N ATOM 1047 CA LYS B 14 97.544 -22.640 43.132 1.00 0.00 C ATOM 1048 C LYS B 14 97.883 -21.545 42.120 1.00 0.00 C ATOM 1049 O LYS B 14 97.929 -20.375 42.443 1.00 0.00 O ATOM 1050 CB LYS B 14 98.816 -23.061 43.875 1.00 0.00 C ATOM 1051 CG LYS B 14 98.435 -23.959 45.055 1.00 0.00 C ATOM 1052 CD LYS B 14 99.693 -24.542 45.707 1.00 0.00 C ATOM 1053 CE LYS B 14 100.466 -23.446 46.449 1.00 0.00 C ATOM 1054 NZ LYS B 14 101.445 -24.084 47.374 1.00 0.00 N ATOM 0 H LYS B 14 97.560 -24.637 42.374 1.00 0.00 H new ATOM 0 HA LYS B 14 96.819 -22.262 43.853 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.487 -23.592 43.200 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.352 -22.181 44.230 1.00 0.00 H new ATOM 0 HG2 LYS B 14 97.869 -23.386 45.789 1.00 0.00 H new ATOM 0 HG3 LYS B 14 97.787 -24.766 44.712 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.416 -25.335 46.402 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.329 -24.993 44.946 1.00 0.00 H new ATOM 0 HE2 LYS B 14 100.984 -22.803 45.737 1.00 0.00 H new ATOM 0 HE3 LYS B 14 99.777 -22.812 47.008 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 101.974 -23.347 47.882 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 100.938 -24.680 48.059 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 102.107 -24.671 46.828 1.00 0.00 H new ATOM 1068 N TYR B 15 98.136 -21.923 40.900 1.00 0.00 N ATOM 1069 CA TYR B 15 98.491 -20.922 39.856 1.00 0.00 C ATOM 1070 C TYR B 15 97.359 -19.900 39.702 1.00 0.00 C ATOM 1071 O TYR B 15 97.600 -18.741 39.431 1.00 0.00 O ATOM 1072 CB TYR B 15 98.727 -21.643 38.522 1.00 0.00 C ATOM 1073 CG TYR B 15 100.115 -22.245 38.503 1.00 0.00 C ATOM 1074 CD1 TYR B 15 100.368 -23.464 39.149 1.00 0.00 C ATOM 1075 CD2 TYR B 15 101.150 -21.574 37.846 1.00 0.00 C ATOM 1076 CE1 TYR B 15 101.661 -24.008 39.130 1.00 0.00 C ATOM 1077 CE2 TYR B 15 102.439 -22.118 37.828 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.695 -23.335 38.471 1.00 0.00 C ATOM 1079 OH TYR B 15 103.966 -23.871 38.453 1.00 0.00 O ATOM 0 H TYR B 15 98.112 -22.890 40.578 1.00 0.00 H new ATOM 0 HA TYR B 15 99.399 -20.398 40.153 1.00 0.00 H new ATOM 0 HB2 TYR B 15 97.980 -22.424 38.383 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.613 -20.943 37.695 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.570 -23.982 39.660 1.00 0.00 H new ATOM 0 HD2 TYR B 15 100.955 -20.634 37.351 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.858 -24.948 39.625 1.00 0.00 H new ATOM 0 HE2 TYR B 15 103.237 -21.599 37.318 1.00 0.00 H new ATOM 0 HH TYR B 15 104.564 -23.278 37.952 1.00 0.00 H new ATOM 1089 N HIS B 16 96.135 -20.308 39.876 1.00 0.00 N ATOM 1090 CA HIS B 16 95.014 -19.337 39.732 1.00 0.00 C ATOM 1091 C HIS B 16 95.200 -18.207 40.748 1.00 0.00 C ATOM 1092 O HIS B 16 94.940 -17.056 40.458 1.00 0.00 O ATOM 1093 CB HIS B 16 93.668 -20.043 39.975 1.00 0.00 C ATOM 1094 CG HIS B 16 93.250 -20.789 38.734 1.00 0.00 C ATOM 1095 ND1 HIS B 16 91.950 -21.248 38.541 1.00 0.00 N ATOM 1096 CD2 HIS B 16 93.941 -21.133 37.597 1.00 0.00 C ATOM 1097 CE1 HIS B 16 91.904 -21.830 37.325 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.090 -21.786 36.715 1.00 0.00 N ATOM 0 H HIS B 16 95.862 -21.263 40.110 1.00 0.00 H new ATOM 0 HA HIS B 16 95.015 -18.927 38.722 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.756 -20.734 40.813 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.907 -19.311 40.244 1.00 0.00 H new ATOM 0 HD1 HIS B 16 91.175 -21.160 39.198 1.00 0.00 H new ATOM 0 HD2 HIS B 16 94.986 -20.927 37.417 1.00 0.00 H new ATOM 0 HE1 HIS B 16 91.018 -22.276 36.898 1.00 0.00 H new ATOM 1106 N SER B 17 95.650 -18.514 41.929 1.00 0.00 N ATOM 1107 CA SER B 17 95.849 -17.434 42.933 1.00 0.00 C ATOM 1108 C SER B 17 96.885 -16.431 42.409 1.00 0.00 C ATOM 1109 O SER B 17 96.706 -15.234 42.513 1.00 0.00 O ATOM 1110 CB SER B 17 96.339 -18.045 44.246 1.00 0.00 C ATOM 1111 OG SER B 17 97.644 -18.580 44.064 1.00 0.00 O ATOM 0 H SER B 17 95.887 -19.455 42.242 1.00 0.00 H new ATOM 0 HA SER B 17 94.905 -16.917 43.105 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.351 -17.287 45.029 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.655 -18.829 44.572 1.00 0.00 H new ATOM 0 HG SER B 17 97.589 -19.407 43.541 1.00 0.00 H new ATOM 1117 N ASN B 18 97.964 -16.906 41.836 1.00 0.00 N ATOM 1118 CA ASN B 18 99.002 -15.972 41.299 1.00 0.00 C ATOM 1119 C ASN B 18 98.747 -15.729 39.809 1.00 0.00 C ATOM 1120 O ASN B 18 99.274 -16.420 38.958 1.00 0.00 O ATOM 1121 CB ASN B 18 100.386 -16.598 41.485 1.00 0.00 C ATOM 1122 CG ASN B 18 100.718 -16.682 42.977 1.00 0.00 C ATOM 1123 OD1 ASN B 18 101.159 -17.708 43.453 1.00 0.00 O ATOM 1124 ND2 ASN B 18 100.525 -15.642 43.741 1.00 0.00 N ATOM 0 H ASN B 18 98.170 -17.898 41.717 1.00 0.00 H new ATOM 0 HA ASN B 18 98.954 -15.023 41.833 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.408 -17.593 41.041 1.00 0.00 H new ATOM 0 HB3 ASN B 18 101.138 -16.002 40.968 1.00 0.00 H new ATOM 0 HD21 ASN B 18 100.745 -15.692 44.736 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.155 -14.779 43.343 1.00 0.00 H new ATOM 1131 N TRP B 19 97.950 -14.752 39.481 1.00 0.00 N ATOM 1132 CA TRP B 19 97.669 -14.469 38.047 1.00 0.00 C ATOM 1133 C TRP B 19 98.919 -13.899 37.378 1.00 0.00 C ATOM 1134 O TRP B 19 99.080 -13.980 36.177 1.00 0.00 O ATOM 1135 CB TRP B 19 96.514 -13.475 37.933 1.00 0.00 C ATOM 1136 CG TRP B 19 96.895 -12.169 38.540 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.567 -11.771 39.788 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.668 -11.084 37.953 1.00 0.00 C ATOM 1139 NE1 TRP B 19 97.077 -10.505 40.003 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.765 -10.040 38.900 1.00 0.00 C ATOM 1141 CE3 TRP B 19 98.285 -10.907 36.701 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 98.448 -8.858 38.614 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.975 -9.720 36.412 1.00 0.00 C ATOM 1144 CH2 TRP B 19 99.055 -8.696 37.366 1.00 0.00 C ATOM 0 H TRP B 19 97.480 -14.136 40.145 1.00 0.00 H new ATOM 0 HA TRP B 19 97.390 -15.396 37.545 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.249 -13.333 36.885 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.632 -13.873 38.434 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.998 -12.348 40.502 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.960 -9.979 40.869 1.00 0.00 H new ATOM 0 HE3 TRP B 19 98.227 -11.689 35.958 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 98.507 -8.073 39.353 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.447 -9.594 35.449 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.585 -7.783 37.137 1.00 0.00 H new ATOM 1155 N ARG B 20 99.802 -13.309 38.136 1.00 0.00 N ATOM 1156 CA ARG B 20 101.031 -12.727 37.523 1.00 0.00 C ATOM 1157 C ARG B 20 101.863 -13.831 36.863 1.00 0.00 C ATOM 1158 O ARG B 20 102.411 -13.647 35.794 1.00 0.00 O ATOM 1159 CB ARG B 20 101.876 -12.043 38.603 1.00 0.00 C ATOM 1160 CG ARG B 20 101.162 -10.786 39.088 1.00 0.00 C ATOM 1161 CD ARG B 20 102.010 -10.077 40.147 1.00 0.00 C ATOM 1162 NE ARG B 20 103.222 -9.479 39.517 1.00 0.00 N ATOM 1163 CZ ARG B 20 103.873 -8.535 40.140 1.00 0.00 C ATOM 1164 NH1 ARG B 20 103.449 -8.117 41.299 1.00 0.00 N ATOM 1165 NH2 ARG B 20 104.942 -8.006 39.608 1.00 0.00 N ATOM 0 H ARG B 20 99.727 -13.205 39.148 1.00 0.00 H new ATOM 0 HA ARG B 20 100.734 -11.997 36.770 1.00 0.00 H new ATOM 0 HB2 ARG B 20 102.041 -12.725 39.437 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.857 -11.786 38.203 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.979 -10.115 38.249 1.00 0.00 H new ATOM 0 HG3 ARG B 20 100.190 -11.048 39.505 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.422 -9.299 40.634 1.00 0.00 H new ATOM 0 HD3 ARG B 20 102.305 -10.785 40.922 1.00 0.00 H new ATOM 0 HE ARG B 20 103.540 -9.806 38.605 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.613 -8.527 41.714 1.00 0.00 H new ATOM 0 HH12 ARG B 20 103.953 -7.379 41.791 1.00 0.00 H new ATOM 0 HH21 ARG B 20 105.273 -8.330 38.699 1.00 0.00 H new ATOM 0 HH22 ARG B 20 105.445 -7.269 40.101 1.00 0.00 H new ATOM 1179 N ALA B 21 101.966 -14.977 37.483 1.00 0.00 N ATOM 1180 CA ALA B 21 102.774 -16.076 36.872 1.00 0.00 C ATOM 1181 C ALA B 21 102.180 -16.453 35.514 1.00 0.00 C ATOM 1182 O ALA B 21 102.892 -16.704 34.563 1.00 0.00 O ATOM 1183 CB ALA B 21 102.762 -17.302 37.789 1.00 0.00 C ATOM 0 H ALA B 21 101.530 -15.200 38.378 1.00 0.00 H new ATOM 0 HA ALA B 21 103.801 -15.734 36.741 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.353 -18.099 37.338 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.189 -17.037 38.756 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.736 -17.644 37.926 1.00 0.00 H new ATOM 1189 N MET B 22 100.881 -16.496 35.417 1.00 0.00 N ATOM 1190 CA MET B 22 100.244 -16.860 34.122 1.00 0.00 C ATOM 1191 C MET B 22 100.587 -15.809 33.067 1.00 0.00 C ATOM 1192 O MET B 22 100.935 -16.125 31.949 1.00 0.00 O ATOM 1193 CB MET B 22 98.729 -16.900 34.310 1.00 0.00 C ATOM 1194 CG MET B 22 98.063 -17.498 33.065 1.00 0.00 C ATOM 1195 SD MET B 22 96.282 -17.181 33.119 1.00 0.00 S ATOM 1196 CE MET B 22 95.960 -17.872 34.761 1.00 0.00 C ATOM 0 H MET B 22 100.233 -16.295 36.179 1.00 0.00 H new ATOM 0 HA MET B 22 100.609 -17.834 33.796 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.479 -17.495 35.188 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.349 -15.894 34.488 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.493 -17.061 32.164 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.251 -18.571 33.019 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.906 -18.138 34.844 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.571 -18.763 34.907 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.209 -17.132 35.522 1.00 0.00 H new ATOM 1206 N ALA B 23 100.488 -14.558 33.416 1.00 0.00 N ATOM 1207 CA ALA B 23 100.800 -13.486 32.430 1.00 0.00 C ATOM 1208 C ALA B 23 102.269 -13.578 32.024 1.00 0.00 C ATOM 1209 O ALA B 23 102.619 -13.433 30.868 1.00 0.00 O ATOM 1210 CB ALA B 23 100.544 -12.119 33.066 1.00 0.00 C ATOM 0 H ALA B 23 100.205 -14.231 34.340 1.00 0.00 H new ATOM 0 HA ALA B 23 100.167 -13.609 31.551 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.772 -11.334 32.345 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.498 -12.046 33.363 1.00 0.00 H new ATOM 0 HB3 ALA B 23 101.179 -12.001 33.944 1.00 0.00 H new ATOM 1216 N SER B 24 103.130 -13.802 32.972 1.00 0.00 N ATOM 1217 CA SER B 24 104.582 -13.887 32.657 1.00 0.00 C ATOM 1218 C SER B 24 104.867 -15.102 31.777 1.00 0.00 C ATOM 1219 O SER B 24 105.668 -15.045 30.866 1.00 0.00 O ATOM 1220 CB SER B 24 105.367 -14.027 33.961 1.00 0.00 C ATOM 1221 OG SER B 24 105.145 -12.880 34.769 1.00 0.00 O ATOM 0 H SER B 24 102.892 -13.931 33.955 1.00 0.00 H new ATOM 0 HA SER B 24 104.882 -12.984 32.125 1.00 0.00 H new ATOM 0 HB2 SER B 24 105.054 -14.926 34.492 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.431 -14.136 33.749 1.00 0.00 H new ATOM 0 HG SER B 24 104.275 -12.957 35.214 1.00 0.00 H new ATOM 1227 N ASP B 25 104.231 -16.207 32.051 1.00 0.00 N ATOM 1228 CA ASP B 25 104.490 -17.426 31.238 1.00 0.00 C ATOM 1229 C ASP B 25 104.054 -17.206 29.790 1.00 0.00 C ATOM 1230 O ASP B 25 104.711 -17.639 28.864 1.00 0.00 O ATOM 1231 CB ASP B 25 103.710 -18.608 31.822 1.00 0.00 C ATOM 1232 CG ASP B 25 104.327 -19.013 33.162 1.00 0.00 C ATOM 1233 OD1 ASP B 25 105.540 -18.966 33.274 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.572 -19.368 34.054 1.00 0.00 O ATOM 0 H ASP B 25 103.547 -16.318 32.799 1.00 0.00 H new ATOM 0 HA ASP B 25 105.559 -17.637 31.260 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.664 -18.335 31.959 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.732 -19.450 31.130 1.00 0.00 H new ATOM 1239 N PHE B 26 102.941 -16.549 29.586 1.00 0.00 N ATOM 1240 CA PHE B 26 102.439 -16.315 28.193 1.00 0.00 C ATOM 1241 C PHE B 26 102.763 -14.889 27.741 1.00 0.00 C ATOM 1242 O PHE B 26 102.426 -14.495 26.642 1.00 0.00 O ATOM 1243 CB PHE B 26 100.925 -16.518 28.165 1.00 0.00 C ATOM 1244 CG PHE B 26 100.606 -17.983 28.342 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.578 -18.548 29.623 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.337 -18.778 27.221 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.279 -19.904 29.783 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.037 -20.136 27.382 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.009 -20.700 28.664 1.00 0.00 C ATOM 0 H PHE B 26 102.354 -16.162 30.325 1.00 0.00 H new ATOM 0 HA PHE B 26 102.926 -17.019 27.518 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.455 -15.935 28.957 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.517 -16.158 27.220 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.788 -17.936 30.488 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.361 -18.344 26.232 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.256 -20.338 30.772 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.827 -20.749 26.518 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.779 -21.748 28.789 1.00 0.00 H new ATOM 1259 N ASN B 27 103.408 -14.114 28.570 1.00 0.00 N ATOM 1260 CA ASN B 27 103.749 -12.715 28.177 1.00 0.00 C ATOM 1261 C ASN B 27 102.487 -11.975 27.732 1.00 0.00 C ATOM 1262 O ASN B 27 102.462 -11.348 26.691 1.00 0.00 O ATOM 1263 CB ASN B 27 104.765 -12.728 27.033 1.00 0.00 C ATOM 1264 CG ASN B 27 106.094 -13.286 27.540 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.691 -14.133 26.908 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.582 -12.844 28.667 1.00 0.00 N ATOM 0 H ASN B 27 103.714 -14.389 29.503 1.00 0.00 H new ATOM 0 HA ASN B 27 104.181 -12.203 29.037 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.393 -13.337 26.209 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.906 -11.719 26.646 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.467 -13.210 29.018 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.079 -12.132 29.196 1.00 0.00 H new ATOM 1273 N LEU B 28 101.445 -12.035 28.522 1.00 0.00 N ATOM 1274 CA LEU B 28 100.169 -11.330 28.175 1.00 0.00 C ATOM 1275 C LEU B 28 99.874 -10.297 29.270 1.00 0.00 C ATOM 1276 O LEU B 28 100.270 -10.473 30.404 1.00 0.00 O ATOM 1277 CB LEU B 28 99.025 -12.356 28.127 1.00 0.00 C ATOM 1278 CG LEU B 28 99.163 -13.252 26.885 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.291 -14.499 27.063 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.711 -12.501 25.620 1.00 0.00 C ATOM 0 H LEU B 28 101.422 -12.548 29.403 1.00 0.00 H new ATOM 0 HA LEU B 28 100.259 -10.838 27.207 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.039 -12.968 29.029 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.065 -11.840 28.107 1.00 0.00 H new ATOM 0 HG LEU B 28 100.210 -13.534 26.773 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.386 -15.137 26.185 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.616 -15.047 27.947 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.250 -14.201 27.184 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.817 -13.153 24.753 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.667 -12.205 25.726 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.328 -11.613 25.484 1.00 0.00 H new ATOM 1292 N PRO B 29 99.183 -9.229 28.950 1.00 0.00 N ATOM 1293 CA PRO B 29 98.844 -8.180 29.955 1.00 0.00 C ATOM 1294 C PRO B 29 97.834 -8.714 30.988 1.00 0.00 C ATOM 1295 O PRO B 29 97.044 -9.582 30.676 1.00 0.00 O ATOM 1296 CB PRO B 29 98.226 -7.053 29.111 1.00 0.00 C ATOM 1297 CG PRO B 29 97.697 -7.734 27.892 1.00 0.00 C ATOM 1298 CD PRO B 29 98.650 -8.898 27.616 1.00 0.00 C ATOM 0 HA PRO B 29 99.709 -7.850 30.530 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.431 -6.542 29.655 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.970 -6.300 28.852 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.680 -8.092 28.054 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.662 -7.048 27.045 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.130 -9.746 27.170 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.444 -8.612 26.926 1.00 0.00 H new ATOM 1306 N PRO B 30 97.849 -8.212 32.203 1.00 0.00 N ATOM 1307 CA PRO B 30 96.902 -8.676 33.256 1.00 0.00 C ATOM 1308 C PRO B 30 95.467 -8.804 32.735 1.00 0.00 C ATOM 1309 O PRO B 30 94.635 -9.458 33.329 1.00 0.00 O ATOM 1310 CB PRO B 30 96.973 -7.578 34.329 1.00 0.00 C ATOM 1311 CG PRO B 30 98.321 -6.941 34.169 1.00 0.00 C ATOM 1312 CD PRO B 30 98.754 -7.159 32.707 1.00 0.00 C ATOM 0 HA PRO B 30 97.170 -9.667 33.622 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.176 -6.847 34.194 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.855 -7.998 35.328 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.275 -5.877 34.402 1.00 0.00 H new ATOM 0 HG3 PRO B 30 99.042 -7.387 34.855 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.659 -6.243 32.125 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.797 -7.470 32.645 1.00 0.00 H new ATOM 1320 N VAL B 31 95.154 -8.154 31.655 1.00 0.00 N ATOM 1321 CA VAL B 31 93.761 -8.220 31.144 1.00 0.00 C ATOM 1322 C VAL B 31 93.369 -9.661 30.837 1.00 0.00 C ATOM 1323 O VAL B 31 92.331 -10.128 31.259 1.00 0.00 O ATOM 1324 CB VAL B 31 93.640 -7.359 29.885 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.274 -7.577 29.217 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.788 -5.887 30.274 1.00 0.00 C ATOM 0 H VAL B 31 95.797 -7.583 31.106 1.00 0.00 H new ATOM 0 HA VAL B 31 93.084 -7.840 31.909 1.00 0.00 H new ATOM 0 HB VAL B 31 94.422 -7.642 29.181 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.203 -6.958 28.323 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.167 -8.626 28.941 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.481 -7.302 29.912 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.703 -5.265 29.383 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.004 -5.617 30.981 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.763 -5.729 30.735 1.00 0.00 H new ATOM 1336 N VAL B 32 94.170 -10.369 30.099 1.00 0.00 N ATOM 1337 CA VAL B 32 93.802 -11.773 29.778 1.00 0.00 C ATOM 1338 C VAL B 32 93.856 -12.617 31.051 1.00 0.00 C ATOM 1339 O VAL B 32 92.975 -13.409 31.320 1.00 0.00 O ATOM 1340 CB VAL B 32 94.768 -12.335 28.732 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.431 -13.804 28.462 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.633 -11.532 27.436 1.00 0.00 C ATOM 0 H VAL B 32 95.054 -10.043 29.707 1.00 0.00 H new ATOM 0 HA VAL B 32 92.790 -11.801 29.373 1.00 0.00 H new ATOM 0 HB VAL B 32 95.791 -12.261 29.102 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.119 -14.204 27.717 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.525 -14.375 29.386 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.409 -13.881 28.090 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.320 -11.929 26.689 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.610 -11.607 27.066 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.873 -10.486 27.629 1.00 0.00 H new ATOM 1352 N ALA B 33 94.885 -12.452 31.837 1.00 0.00 N ATOM 1353 CA ALA B 33 94.997 -13.245 33.094 1.00 0.00 C ATOM 1354 C ALA B 33 93.852 -12.881 34.044 1.00 0.00 C ATOM 1355 O ALA B 33 93.251 -13.740 34.660 1.00 0.00 O ATOM 1356 CB ALA B 33 96.340 -12.952 33.766 1.00 0.00 C ATOM 0 H ALA B 33 95.652 -11.803 31.663 1.00 0.00 H new ATOM 0 HA ALA B 33 94.936 -14.307 32.855 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.421 -13.532 34.685 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.152 -13.225 33.092 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.405 -11.890 34.001 1.00 0.00 H new ATOM 1362 N LYS B 34 93.537 -11.617 34.172 1.00 0.00 N ATOM 1363 CA LYS B 34 92.426 -11.220 35.084 1.00 0.00 C ATOM 1364 C LYS B 34 91.107 -11.804 34.573 1.00 0.00 C ATOM 1365 O LYS B 34 90.280 -12.256 35.340 1.00 0.00 O ATOM 1366 CB LYS B 34 92.328 -9.690 35.141 1.00 0.00 C ATOM 1367 CG LYS B 34 93.533 -9.100 35.899 1.00 0.00 C ATOM 1368 CD LYS B 34 93.316 -9.198 37.415 1.00 0.00 C ATOM 1369 CE LYS B 34 94.433 -8.441 38.134 1.00 0.00 C ATOM 1370 NZ LYS B 34 94.222 -6.977 37.969 1.00 0.00 N ATOM 0 H LYS B 34 93.999 -10.848 33.687 1.00 0.00 H new ATOM 0 HA LYS B 34 92.625 -11.605 36.084 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.293 -9.284 34.130 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.401 -9.397 35.635 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.442 -9.634 35.621 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.675 -8.058 35.613 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.346 -8.779 37.683 1.00 0.00 H new ATOM 0 HD3 LYS B 34 93.310 -10.243 37.727 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.441 -8.702 39.192 1.00 0.00 H new ATOM 0 HE3 LYS B 34 95.403 -8.728 37.727 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.762 -6.464 38.695 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.546 -6.684 37.025 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.210 -6.758 38.071 1.00 0.00 H new ATOM 1384 N GLU B 35 90.896 -11.792 33.283 1.00 0.00 N ATOM 1385 CA GLU B 35 89.622 -12.341 32.737 1.00 0.00 C ATOM 1386 C GLU B 35 89.503 -13.829 33.077 1.00 0.00 C ATOM 1387 O GLU B 35 88.443 -14.311 33.423 1.00 0.00 O ATOM 1388 CB GLU B 35 89.597 -12.166 31.214 1.00 0.00 C ATOM 1389 CG GLU B 35 88.166 -12.356 30.691 1.00 0.00 C ATOM 1390 CD GLU B 35 87.780 -13.835 30.778 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.382 -14.624 30.067 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.895 -14.151 31.550 1.00 0.00 O ATOM 0 H GLU B 35 91.547 -11.428 32.588 1.00 0.00 H new ATOM 0 HA GLU B 35 88.786 -11.803 33.182 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.963 -11.175 30.947 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.264 -12.889 30.745 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.471 -11.753 31.276 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.096 -12.012 29.659 1.00 0.00 H new ATOM 1399 N ILE B 36 90.576 -14.563 32.974 1.00 0.00 N ATOM 1400 CA ILE B 36 90.503 -16.017 33.284 1.00 0.00 C ATOM 1401 C ILE B 36 90.158 -16.205 34.768 1.00 0.00 C ATOM 1402 O ILE B 36 89.364 -17.051 35.129 1.00 0.00 O ATOM 1403 CB ILE B 36 91.856 -16.669 32.975 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.088 -16.662 31.461 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.857 -18.114 33.475 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.536 -17.053 31.158 1.00 0.00 C ATOM 0 H ILE B 36 91.494 -14.221 32.690 1.00 0.00 H new ATOM 0 HA ILE B 36 89.730 -16.486 32.675 1.00 0.00 H new ATOM 0 HB ILE B 36 92.648 -16.110 33.474 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.404 -17.358 30.976 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.876 -15.673 31.056 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.820 -18.575 33.254 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.687 -18.127 34.552 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.065 -18.672 32.976 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.697 -17.047 30.080 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.212 -16.340 31.630 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.733 -18.052 31.548 1.00 0.00 H new ATOM 1418 N VAL B 37 90.738 -15.407 35.624 1.00 0.00 N ATOM 1419 CA VAL B 37 90.449 -15.517 37.084 1.00 0.00 C ATOM 1420 C VAL B 37 88.960 -15.228 37.320 1.00 0.00 C ATOM 1421 O VAL B 37 88.306 -15.867 38.123 1.00 0.00 O ATOM 1422 CB VAL B 37 91.298 -14.485 37.838 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.853 -14.401 39.302 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.771 -14.890 37.778 1.00 0.00 C ATOM 0 H VAL B 37 91.405 -14.678 35.372 1.00 0.00 H new ATOM 0 HA VAL B 37 90.688 -16.519 37.441 1.00 0.00 H new ATOM 0 HB VAL B 37 91.166 -13.510 37.369 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.463 -13.665 39.826 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.806 -14.102 39.347 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.973 -15.375 39.775 1.00 0.00 H new ATOM 0 HG21 VAL B 37 93.372 -14.156 38.314 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.898 -15.869 38.239 1.00 0.00 H new ATOM 0 HG23 VAL B 37 93.094 -14.934 36.738 1.00 0.00 H new ATOM 1434 N ALA B 38 88.428 -14.268 36.620 1.00 0.00 N ATOM 1435 CA ALA B 38 86.989 -13.915 36.785 1.00 0.00 C ATOM 1436 C ALA B 38 86.113 -15.053 36.253 1.00 0.00 C ATOM 1437 O ALA B 38 84.986 -15.230 36.674 1.00 0.00 O ATOM 1438 CB ALA B 38 86.686 -12.632 36.008 1.00 0.00 C ATOM 0 H ALA B 38 88.932 -13.706 35.934 1.00 0.00 H new ATOM 0 HA ALA B 38 86.775 -13.760 37.843 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.634 -12.374 36.128 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.305 -11.820 36.390 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.903 -12.787 34.951 1.00 0.00 H new ATOM 1444 N SER B 39 86.613 -15.821 35.324 1.00 0.00 N ATOM 1445 CA SER B 39 85.796 -16.937 34.770 1.00 0.00 C ATOM 1446 C SER B 39 85.722 -18.079 35.791 1.00 0.00 C ATOM 1447 O SER B 39 84.719 -18.756 35.903 1.00 0.00 O ATOM 1448 CB SER B 39 86.431 -17.449 33.474 1.00 0.00 C ATOM 1449 OG SER B 39 86.510 -16.386 32.535 1.00 0.00 O ATOM 0 H SER B 39 87.547 -15.725 34.926 1.00 0.00 H new ATOM 0 HA SER B 39 84.790 -16.574 34.560 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.426 -17.845 33.676 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.839 -18.267 33.064 1.00 0.00 H new ATOM 0 HG SER B 39 87.151 -15.716 32.852 1.00 0.00 H new ATOM 1455 N CYS B 40 86.767 -18.300 36.540 1.00 0.00 N ATOM 1456 CA CYS B 40 86.734 -19.398 37.552 1.00 0.00 C ATOM 1457 C CYS B 40 85.887 -18.947 38.749 1.00 0.00 C ATOM 1458 O CYS B 40 86.243 -18.033 39.465 1.00 0.00 O ATOM 1459 CB CYS B 40 88.158 -19.721 38.012 1.00 0.00 C ATOM 1460 SG CYS B 40 88.179 -21.340 38.820 1.00 0.00 S ATOM 0 H CYS B 40 87.639 -17.772 36.497 1.00 0.00 H new ATOM 0 HA CYS B 40 86.296 -20.293 37.111 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.836 -19.720 37.159 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.512 -18.954 38.701 1.00 0.00 H new ATOM 0 HG CYS B 40 89.340 -21.898 38.643 1.00 0.00 H new ATOM 1465 N ASP B 41 84.763 -19.581 38.966 1.00 0.00 N ATOM 1466 CA ASP B 41 83.880 -19.181 40.104 1.00 0.00 C ATOM 1467 C ASP B 41 84.615 -19.346 41.438 1.00 0.00 C ATOM 1468 O ASP B 41 84.477 -18.536 42.334 1.00 0.00 O ATOM 1469 CB ASP B 41 82.623 -20.057 40.110 1.00 0.00 C ATOM 1470 CG ASP B 41 81.731 -19.695 38.919 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.033 -20.138 37.823 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.753 -18.996 39.125 1.00 0.00 O ATOM 0 H ASP B 41 84.418 -20.359 38.404 1.00 0.00 H new ATOM 0 HA ASP B 41 83.604 -18.134 39.979 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.902 -21.109 40.060 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.075 -19.916 41.042 1.00 0.00 H new ATOM 1477 N LYS B 42 85.378 -20.391 41.589 1.00 0.00 N ATOM 1478 CA LYS B 42 86.100 -20.610 42.879 1.00 0.00 C ATOM 1479 C LYS B 42 87.034 -19.429 43.156 1.00 0.00 C ATOM 1480 O LYS B 42 87.176 -18.990 44.281 1.00 0.00 O ATOM 1481 CB LYS B 42 86.933 -21.893 42.795 1.00 0.00 C ATOM 1482 CG LYS B 42 86.016 -23.119 42.763 1.00 0.00 C ATOM 1483 CD LYS B 42 86.879 -24.381 42.683 1.00 0.00 C ATOM 1484 CE LYS B 42 85.990 -25.628 42.624 1.00 0.00 C ATOM 1485 NZ LYS B 42 85.056 -25.528 41.466 1.00 0.00 N ATOM 0 H LYS B 42 85.535 -21.105 40.877 1.00 0.00 H new ATOM 0 HA LYS B 42 85.369 -20.698 43.683 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.556 -21.873 41.901 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.605 -21.955 43.651 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.391 -23.146 43.656 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.345 -23.066 41.905 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.517 -24.338 41.800 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.537 -24.436 43.550 1.00 0.00 H new ATOM 0 HE2 LYS B 42 86.607 -26.522 42.529 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.425 -25.727 43.551 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.678 -26.471 41.242 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 84.272 -24.889 41.707 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 85.566 -25.154 40.640 1.00 0.00 H new ATOM 1499 N CYS B 43 87.688 -18.927 42.148 1.00 0.00 N ATOM 1500 CA CYS B 43 88.624 -17.787 42.364 1.00 0.00 C ATOM 1501 C CYS B 43 87.837 -16.475 42.509 1.00 0.00 C ATOM 1502 O CYS B 43 88.229 -15.583 43.234 1.00 0.00 O ATOM 1503 CB CYS B 43 89.558 -17.665 41.161 1.00 0.00 C ATOM 1504 SG CYS B 43 90.309 -19.270 40.809 1.00 0.00 S ATOM 0 H CYS B 43 87.616 -19.255 41.185 1.00 0.00 H new ATOM 0 HA CYS B 43 89.197 -17.970 43.273 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.003 -17.314 40.291 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.333 -16.926 41.364 1.00 0.00 H new ATOM 0 HG CYS B 43 89.435 -20.042 40.235 1.00 0.00 H new ATOM 1509 N GLN B 44 86.753 -16.341 41.786 1.00 0.00 N ATOM 1510 CA GLN B 44 85.955 -15.075 41.841 1.00 0.00 C ATOM 1511 C GLN B 44 85.057 -15.031 43.081 1.00 0.00 C ATOM 1512 O GLN B 44 85.270 -14.249 43.988 1.00 0.00 O ATOM 1513 CB GLN B 44 85.080 -14.984 40.582 1.00 0.00 C ATOM 1514 CG GLN B 44 84.287 -13.669 40.585 1.00 0.00 C ATOM 1515 CD GLN B 44 83.425 -13.583 39.322 1.00 0.00 C ATOM 1516 OE1 GLN B 44 82.216 -13.680 39.391 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.996 -13.402 38.163 1.00 0.00 N ATOM 0 H GLN B 44 86.385 -17.055 41.158 1.00 0.00 H new ATOM 0 HA GLN B 44 86.647 -14.234 41.893 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.705 -15.039 39.691 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.395 -15.831 40.544 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.656 -13.616 41.472 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.970 -12.821 40.629 1.00 0.00 H new ATOM 0 HE21 GLN B 44 85.011 -13.320 38.102 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.428 -13.342 37.318 1.00 0.00 H new