USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=24 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= -2.96! C(o=-5.7!,f=-8!) USER MOD Set 1.2: B 16 HIS : no HD1:sc= -1.12 K(o=-5.7,f=-6.7!) USER MOD Set 1.3: B 40 CYS SG : rot 170:sc= 0.539 USER MOD Set 1.4: B 43 CYS SG : rot 82:sc= -2.16 USER MOD Set 2.1: A 12 HIS : no HE2:sc= -3.33! C(o=-5.3!,f=-8.2!) USER MOD Set 2.2: A 16 HIS : no HD1:sc= -1.07 K(o=-5.3,f=-6.5!) USER MOD Set 2.3: A 40 CYS SG : rot 160:sc= 0.877 USER MOD Set 2.4: A 43 CYS SG : rot 82:sc= -1.76 USER MOD Single : A 1 PHE N :NH3+ 167:sc= 0.515 (180deg=0.32) USER MOD Single : A 7 LYS NZ :NH3+ 161:sc= -0.011 (180deg=-0.172) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 14 LYS NZ :NH3+ -160:sc= -0.0577 (180deg=-0.614) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -63:sc= 0.433 USER MOD Single : A 18 ASN : amide:sc= -0.0662 X(o=-0.066,f=0) USER MOD Single : A 22 MET CE :methyl -159:sc= -0.117 (180deg=-1.06) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 34 LYS NZ :NH3+ 143:sc= -0.204 (180deg=-1.09) USER MOD Single : A 39 SER OG : rot 123:sc= 0.264 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.719 K(o=-0.72,f=-3.1!) USER MOD Single : B 1 PHE N :NH3+ 168:sc= 0.552 (180deg=0.343) USER MOD Single : B 7 LYS NZ :NH3+ 161:sc= -0.0138 (180deg=-0.2) USER MOD Single : B 9 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : B 14 LYS NZ :NH3+ -134:sc= -0.0615 (180deg=-0.525) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -57:sc= 0.88 USER MOD Single : B 18 ASN : amide:sc= -0.0463 X(o=-0.046,f=0) USER MOD Single : B 22 MET CE :methyl -160:sc= -0.188 (180deg=-1.24) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : B 34 LYS NZ :NH3+ 137:sc= -0.287 (180deg=-1.1) USER MOD Single : B 39 SER OG : rot 125:sc= -0.297! USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 GLN : amide:sc= -3.2! K(o=-3.2!,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.812 -3.361 23.920 1.00 0.00 N ATOM 2 CA PHE A 1 94.293 -4.054 25.144 1.00 0.00 C ATOM 3 C PHE A 1 93.873 -3.024 26.196 1.00 0.00 C ATOM 4 O PHE A 1 92.705 -2.747 26.392 1.00 0.00 O ATOM 5 CB PHE A 1 95.395 -4.944 25.742 1.00 0.00 C ATOM 6 CG PHE A 1 95.550 -6.195 24.908 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.205 -6.140 23.673 1.00 0.00 C ATOM 8 CD2 PHE A 1 95.052 -7.414 25.380 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.356 -7.307 22.910 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.204 -8.575 24.618 1.00 0.00 C ATOM 11 CZ PHE A 1 95.855 -8.521 23.384 1.00 0.00 C ATOM 0 H1 PHE A 1 95.293 -4.051 23.308 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.019 -2.932 23.401 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.484 -2.618 24.200 1.00 0.00 H new ATOM 0 HA PHE A 1 93.433 -4.661 24.861 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.338 -4.398 25.775 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.144 -5.209 26.769 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.594 -5.201 23.308 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.549 -7.458 26.335 1.00 0.00 H new ATOM 0 HE1 PHE A 1 96.860 -7.267 21.956 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.818 -9.515 24.984 1.00 0.00 H new ATOM 0 HZ PHE A 1 95.971 -9.419 22.796 1.00 0.00 H new ATOM 23 N LEU A 2 94.831 -2.472 26.887 1.00 0.00 N ATOM 24 CA LEU A 2 94.527 -1.467 27.945 1.00 0.00 C ATOM 25 C LEU A 2 93.861 -0.224 27.345 1.00 0.00 C ATOM 26 O LEU A 2 92.952 0.337 27.924 1.00 0.00 O ATOM 27 CB LEU A 2 95.838 -1.051 28.613 1.00 0.00 C ATOM 28 CG LEU A 2 96.483 -2.266 29.283 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.869 -1.870 29.814 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.605 -2.752 30.452 1.00 0.00 C ATOM 0 H LEU A 2 95.823 -2.676 26.763 1.00 0.00 H new ATOM 0 HA LEU A 2 93.844 -1.912 28.669 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.517 -0.629 27.872 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.650 -0.273 29.353 1.00 0.00 H new ATOM 0 HG LEU A 2 96.580 -3.071 28.554 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.335 -2.731 30.293 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.493 -1.533 28.986 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.764 -1.064 30.540 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.072 -3.617 30.923 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.500 -1.952 31.185 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.621 -3.031 30.076 1.00 0.00 H new ATOM 42 N ASP A 3 94.314 0.223 26.205 1.00 0.00 N ATOM 43 CA ASP A 3 93.716 1.447 25.588 1.00 0.00 C ATOM 44 C ASP A 3 92.259 1.211 25.175 1.00 0.00 C ATOM 45 O ASP A 3 91.418 2.070 25.345 1.00 0.00 O ATOM 46 CB ASP A 3 94.530 1.858 24.364 1.00 0.00 C ATOM 47 CG ASP A 3 95.889 2.399 24.815 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.801 1.602 24.954 1.00 0.00 O ATOM 49 OD2 ASP A 3 95.996 3.599 25.013 1.00 0.00 O ATOM 0 H ASP A 3 95.072 -0.205 25.673 1.00 0.00 H new ATOM 0 HA ASP A 3 93.736 2.242 26.333 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.668 1.003 23.702 1.00 0.00 H new ATOM 0 HB3 ASP A 3 93.994 2.618 23.796 1.00 0.00 H new ATOM 54 N GLY A 4 91.944 0.070 24.643 1.00 0.00 N ATOM 55 CA GLY A 4 90.533 -0.175 24.238 1.00 0.00 C ATOM 56 C GLY A 4 89.660 -0.195 25.485 1.00 0.00 C ATOM 57 O GLY A 4 88.525 0.235 25.488 1.00 0.00 O ATOM 0 H GLY A 4 92.592 -0.699 24.471 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.196 0.604 23.554 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.452 -1.123 23.706 1.00 0.00 H new ATOM 61 N ILE A 5 90.192 -0.694 26.549 1.00 0.00 N ATOM 62 CA ILE A 5 89.426 -0.757 27.806 1.00 0.00 C ATOM 63 C ILE A 5 89.150 0.657 28.309 1.00 0.00 C ATOM 64 O ILE A 5 88.086 0.938 28.811 1.00 0.00 O ATOM 65 CB ILE A 5 90.232 -1.540 28.838 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.235 -3.009 28.432 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.609 -1.375 30.229 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.192 -3.793 29.327 1.00 0.00 C ATOM 0 H ILE A 5 91.140 -1.067 26.602 1.00 0.00 H new ATOM 0 HA ILE A 5 88.473 -1.258 27.638 1.00 0.00 H new ATOM 0 HB ILE A 5 91.254 -1.164 28.877 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.229 -3.420 28.513 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.536 -3.107 27.389 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.192 -1.938 30.958 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.606 -0.320 30.503 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.585 -1.750 30.216 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.189 -4.842 29.032 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.199 -3.390 29.224 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.871 -3.708 30.365 1.00 0.00 H new ATOM 80 N ASP A 6 90.107 1.545 28.200 1.00 0.00 N ATOM 81 CA ASP A 6 89.882 2.924 28.714 1.00 0.00 C ATOM 82 C ASP A 6 88.701 3.574 27.992 1.00 0.00 C ATOM 83 O ASP A 6 87.807 4.118 28.615 1.00 0.00 O ATOM 84 CB ASP A 6 91.129 3.778 28.487 1.00 0.00 C ATOM 85 CG ASP A 6 90.864 5.191 29.028 1.00 0.00 C ATOM 86 OD1 ASP A 6 91.098 5.403 30.207 1.00 0.00 O ATOM 87 OD2 ASP A 6 90.420 6.033 28.262 1.00 0.00 O ATOM 0 H ASP A 6 91.022 1.375 27.782 1.00 0.00 H new ATOM 0 HA ASP A 6 89.667 2.860 29.781 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.987 3.335 28.992 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.370 3.819 27.425 1.00 0.00 H new ATOM 92 N LYS A 7 88.665 3.527 26.700 1.00 0.00 N ATOM 93 CA LYS A 7 87.519 4.145 25.975 1.00 0.00 C ATOM 94 C LYS A 7 86.247 3.358 26.296 1.00 0.00 C ATOM 95 O LYS A 7 85.185 3.915 26.481 1.00 0.00 O ATOM 96 CB LYS A 7 87.786 4.093 24.472 1.00 0.00 C ATOM 97 CG LYS A 7 89.045 4.908 24.131 1.00 0.00 C ATOM 98 CD LYS A 7 88.799 6.402 24.383 1.00 0.00 C ATOM 99 CE LYS A 7 89.815 7.237 23.594 1.00 0.00 C ATOM 100 NZ LYS A 7 89.433 7.260 22.156 1.00 0.00 N ATOM 0 H LYS A 7 89.373 3.091 26.110 1.00 0.00 H new ATOM 0 HA LYS A 7 87.398 5.183 26.285 1.00 0.00 H new ATOM 0 HB2 LYS A 7 87.915 3.059 24.153 1.00 0.00 H new ATOM 0 HB3 LYS A 7 86.928 4.489 23.928 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.884 4.564 24.736 1.00 0.00 H new ATOM 0 HG3 LYS A 7 89.318 4.749 23.088 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.785 6.668 24.084 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.885 6.619 25.448 1.00 0.00 H new ATOM 0 HE2 LYS A 7 89.850 8.253 23.988 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.814 6.816 23.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 89.905 8.058 21.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 89.725 6.369 21.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 88.402 7.369 22.072 1.00 0.00 H new ATOM 114 N ALA A 8 86.360 2.058 26.354 1.00 0.00 N ATOM 115 CA ALA A 8 85.177 1.198 26.660 1.00 0.00 C ATOM 116 C ALA A 8 84.740 1.397 28.118 1.00 0.00 C ATOM 117 O ALA A 8 83.564 1.434 28.423 1.00 0.00 O ATOM 118 CB ALA A 8 85.567 -0.271 26.459 1.00 0.00 C ATOM 0 H ALA A 8 87.230 1.549 26.201 1.00 0.00 H new ATOM 0 HA ALA A 8 84.356 1.471 25.998 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.711 -0.908 26.680 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.879 -0.427 25.426 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.389 -0.524 27.128 1.00 0.00 H new ATOM 124 N GLN A 9 85.677 1.505 29.018 1.00 0.00 N ATOM 125 CA GLN A 9 85.319 1.669 30.453 1.00 0.00 C ATOM 126 C GLN A 9 84.612 3.007 30.671 1.00 0.00 C ATOM 127 O GLN A 9 85.102 4.054 30.301 1.00 0.00 O ATOM 128 CB GLN A 9 86.596 1.615 31.297 1.00 0.00 C ATOM 129 CG GLN A 9 86.219 1.626 32.781 1.00 0.00 C ATOM 130 CD GLN A 9 87.483 1.574 33.644 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.380 2.379 33.485 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.589 0.658 34.566 1.00 0.00 N ATOM 0 H GLN A 9 86.678 1.487 28.820 1.00 0.00 H new ATOM 0 HA GLN A 9 84.645 0.866 30.751 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.165 0.716 31.061 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.236 2.467 31.066 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.648 2.525 33.013 1.00 0.00 H new ATOM 0 HG3 GLN A 9 85.579 0.774 33.008 1.00 0.00 H new ATOM 0 HE21 GLN A 9 86.838 -0.019 34.701 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.423 0.618 35.152 1.00 0.00 H new ATOM 141 N GLU A 10 83.458 2.976 31.287 1.00 0.00 N ATOM 142 CA GLU A 10 82.705 4.238 31.556 1.00 0.00 C ATOM 143 C GLU A 10 81.933 4.089 32.871 1.00 0.00 C ATOM 144 O GLU A 10 82.195 3.194 33.652 1.00 0.00 O ATOM 145 CB GLU A 10 81.720 4.508 30.413 1.00 0.00 C ATOM 146 CG GLU A 10 82.486 4.926 29.157 1.00 0.00 C ATOM 147 CD GLU A 10 81.494 5.159 28.016 1.00 0.00 C ATOM 148 OE1 GLU A 10 80.516 4.432 27.955 1.00 0.00 O ATOM 149 OE2 GLU A 10 81.727 6.056 27.223 1.00 0.00 O ATOM 0 H GLU A 10 83.002 2.125 31.617 1.00 0.00 H new ATOM 0 HA GLU A 10 83.404 5.071 31.629 1.00 0.00 H new ATOM 0 HB2 GLU A 10 81.131 3.614 30.210 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.020 5.292 30.701 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.056 5.835 29.350 1.00 0.00 H new ATOM 0 HG3 GLU A 10 83.203 4.153 28.880 1.00 0.00 H new ATOM 156 N GLU A 11 80.989 4.961 33.123 1.00 0.00 N ATOM 157 CA GLU A 11 80.201 4.883 34.388 1.00 0.00 C ATOM 158 C GLU A 11 79.288 3.651 34.343 1.00 0.00 C ATOM 159 O GLU A 11 78.919 3.179 33.283 1.00 0.00 O ATOM 160 CB GLU A 11 79.362 6.158 34.527 1.00 0.00 C ATOM 161 CG GLU A 11 80.280 7.369 34.759 1.00 0.00 C ATOM 162 CD GLU A 11 80.870 7.311 36.176 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.110 7.087 37.103 1.00 0.00 O ATOM 164 OE2 GLU A 11 82.069 7.505 36.311 1.00 0.00 O ATOM 0 H GLU A 11 80.730 5.728 32.502 1.00 0.00 H new ATOM 0 HA GLU A 11 80.870 4.795 35.244 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.766 6.310 33.628 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.665 6.055 35.358 1.00 0.00 H new ATOM 0 HG2 GLU A 11 81.082 7.375 34.021 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.718 8.294 34.627 1.00 0.00 H new ATOM 171 N HIS A 12 78.927 3.110 35.477 1.00 0.00 N ATOM 172 CA HIS A 12 78.055 1.902 35.478 1.00 0.00 C ATOM 173 C HIS A 12 76.690 2.253 34.892 1.00 0.00 C ATOM 174 O HIS A 12 75.703 2.320 35.595 1.00 0.00 O ATOM 175 CB HIS A 12 77.877 1.411 36.917 1.00 0.00 C ATOM 176 CG HIS A 12 76.892 0.277 36.961 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.278 -1.043 36.765 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.547 0.236 37.242 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.188 -1.816 36.943 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.113 -1.084 37.228 1.00 0.00 N ATOM 0 H HIS A 12 79.198 3.452 36.399 1.00 0.00 H new ATOM 0 HA HIS A 12 78.517 1.120 34.875 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.836 1.085 37.319 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.529 2.229 37.548 1.00 0.00 H new ATOM 0 HD1 HIS A 12 78.216 -1.368 36.529 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.925 1.096 37.442 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.187 -2.893 36.864 1.00 0.00 H new ATOM 188 N GLU A 13 76.625 2.473 33.606 1.00 0.00 N ATOM 189 CA GLU A 13 75.320 2.809 32.978 1.00 0.00 C ATOM 190 C GLU A 13 74.669 1.531 32.446 1.00 0.00 C ATOM 191 O GLU A 13 75.024 0.432 32.827 1.00 0.00 O ATOM 192 CB GLU A 13 75.534 3.778 31.820 1.00 0.00 C ATOM 193 CG GLU A 13 76.118 5.087 32.353 1.00 0.00 C ATOM 194 CD GLU A 13 76.334 6.047 31.185 1.00 0.00 C ATOM 195 OE1 GLU A 13 76.621 5.566 30.103 1.00 0.00 O ATOM 196 OE2 GLU A 13 76.204 7.245 31.388 1.00 0.00 O ATOM 0 H GLU A 13 77.419 2.434 32.967 1.00 0.00 H new ATOM 0 HA GLU A 13 74.675 3.273 33.724 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.208 3.339 31.084 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.589 3.969 31.312 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.443 5.530 33.085 1.00 0.00 H new ATOM 0 HG3 GLU A 13 77.062 4.898 32.864 1.00 0.00 H new ATOM 203 N LYS A 14 73.720 1.673 31.570 1.00 0.00 N ATOM 204 CA LYS A 14 73.026 0.484 31.003 1.00 0.00 C ATOM 205 C LYS A 14 73.980 -0.285 30.084 1.00 0.00 C ATOM 206 O LYS A 14 73.833 -1.470 29.864 1.00 0.00 O ATOM 207 CB LYS A 14 71.810 0.946 30.202 1.00 0.00 C ATOM 208 CG LYS A 14 70.849 1.682 31.128 1.00 0.00 C ATOM 209 CD LYS A 14 69.622 2.138 30.343 1.00 0.00 C ATOM 210 CE LYS A 14 68.720 2.944 31.276 1.00 0.00 C ATOM 211 NZ LYS A 14 68.277 2.093 32.419 1.00 0.00 N ATOM 0 H LYS A 14 73.390 2.571 31.217 1.00 0.00 H new ATOM 0 HA LYS A 14 72.706 -0.170 31.815 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.123 1.601 29.389 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.312 0.089 29.748 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.546 1.029 31.947 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.347 2.543 31.574 1.00 0.00 H new ATOM 0 HD2 LYS A 14 69.923 2.745 29.489 1.00 0.00 H new ATOM 0 HD3 LYS A 14 69.084 1.277 29.947 1.00 0.00 H new ATOM 0 HE2 LYS A 14 69.256 3.817 31.648 1.00 0.00 H new ATOM 0 HE3 LYS A 14 67.852 3.312 30.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 67.426 2.507 32.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 68.060 1.136 32.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 69.036 2.043 33.129 1.00 0.00 H new ATOM 225 N TYR A 15 74.949 0.389 29.535 1.00 0.00 N ATOM 226 CA TYR A 15 75.907 -0.286 28.623 1.00 0.00 C ATOM 227 C TYR A 15 76.630 -1.415 29.361 1.00 0.00 C ATOM 228 O TYR A 15 76.903 -2.446 28.789 1.00 0.00 O ATOM 229 CB TYR A 15 76.928 0.730 28.092 1.00 0.00 C ATOM 230 CG TYR A 15 76.316 1.530 26.962 1.00 0.00 C ATOM 231 CD1 TYR A 15 75.568 2.689 27.227 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.512 1.108 25.645 1.00 0.00 C ATOM 233 CE1 TYR A 15 75.021 3.420 26.161 1.00 0.00 C ATOM 234 CE2 TYR A 15 75.964 1.837 24.586 1.00 0.00 C ATOM 235 CZ TYR A 15 75.218 2.991 24.845 1.00 0.00 C ATOM 236 OH TYR A 15 74.677 3.714 23.796 1.00 0.00 O ATOM 0 H TYR A 15 75.119 1.384 29.680 1.00 0.00 H new ATOM 0 HA TYR A 15 75.356 -0.710 27.783 1.00 0.00 H new ATOM 0 HB2 TYR A 15 77.241 1.398 28.895 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.821 0.213 27.741 1.00 0.00 H new ATOM 0 HD1 TYR A 15 75.415 3.016 28.245 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.088 0.217 25.445 1.00 0.00 H new ATOM 0 HE1 TYR A 15 74.448 4.314 26.357 1.00 0.00 H new ATOM 0 HE2 TYR A 15 76.117 1.509 23.568 1.00 0.00 H new ATOM 0 HH TYR A 15 74.908 3.282 22.947 1.00 0.00 H new ATOM 246 N HIS A 16 76.944 -1.249 30.614 1.00 0.00 N ATOM 247 CA HIS A 16 77.640 -2.345 31.336 1.00 0.00 C ATOM 248 C HIS A 16 76.765 -3.601 31.304 1.00 0.00 C ATOM 249 O HIS A 16 77.255 -4.698 31.130 1.00 0.00 O ATOM 250 CB HIS A 16 77.880 -1.942 32.794 1.00 0.00 C ATOM 251 CG HIS A 16 79.077 -1.045 32.892 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.719 -0.807 34.100 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.778 -0.341 31.946 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.758 0.007 33.847 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.834 0.321 32.554 1.00 0.00 N ATOM 0 H HIS A 16 76.751 -0.412 31.163 1.00 0.00 H new ATOM 0 HA HIS A 16 78.598 -2.541 30.854 1.00 0.00 H new ATOM 0 HB2 HIS A 16 77.001 -1.432 33.187 1.00 0.00 H new ATOM 0 HB3 HIS A 16 78.032 -2.832 33.405 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.544 -0.308 30.892 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.447 0.363 34.599 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.525 0.923 32.105 1.00 0.00 H new ATOM 263 N SER A 17 75.475 -3.461 31.476 1.00 0.00 N ATOM 264 CA SER A 17 74.594 -4.664 31.440 1.00 0.00 C ATOM 265 C SER A 17 74.682 -5.300 30.050 1.00 0.00 C ATOM 266 O SER A 17 74.778 -6.501 29.911 1.00 0.00 O ATOM 267 CB SER A 17 73.147 -4.258 31.717 1.00 0.00 C ATOM 268 OG SER A 17 72.731 -3.320 30.739 1.00 0.00 O ATOM 0 H SER A 17 74.999 -2.574 31.638 1.00 0.00 H new ATOM 0 HA SER A 17 74.917 -5.375 32.200 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.500 -5.135 31.695 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.063 -3.824 32.713 1.00 0.00 H new ATOM 0 HG SER A 17 73.277 -2.509 30.810 1.00 0.00 H new ATOM 274 N ASN A 18 74.667 -4.503 29.015 1.00 0.00 N ATOM 275 CA ASN A 18 74.771 -5.072 27.631 1.00 0.00 C ATOM 276 C ASN A 18 76.243 -5.093 27.218 1.00 0.00 C ATOM 277 O ASN A 18 76.722 -4.194 26.554 1.00 0.00 O ATOM 278 CB ASN A 18 73.978 -4.206 26.642 1.00 0.00 C ATOM 279 CG ASN A 18 72.504 -4.147 27.064 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.944 -3.079 27.171 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.854 -5.247 27.319 1.00 0.00 N ATOM 0 H ASN A 18 74.588 -3.487 29.063 1.00 0.00 H new ATOM 0 HA ASN A 18 74.362 -6.082 27.622 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.396 -3.200 26.610 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.061 -4.618 25.636 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.877 -5.207 27.608 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.323 -6.149 27.230 1.00 0.00 H new ATOM 288 N TRP A 19 76.966 -6.111 27.603 1.00 0.00 N ATOM 289 CA TRP A 19 78.407 -6.184 27.228 1.00 0.00 C ATOM 290 C TRP A 19 78.538 -6.477 25.731 1.00 0.00 C ATOM 291 O TRP A 19 79.539 -6.175 25.118 1.00 0.00 O ATOM 292 CB TRP A 19 79.126 -7.274 28.040 1.00 0.00 C ATOM 293 CG TRP A 19 78.588 -8.626 27.680 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.636 -9.297 28.375 1.00 0.00 C ATOM 295 CD2 TRP A 19 78.950 -9.483 26.547 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.406 -10.513 27.756 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.185 -10.675 26.623 1.00 0.00 C ATOM 298 CE3 TRP A 19 79.859 -9.351 25.475 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.317 -11.696 25.673 1.00 0.00 C ATOM 300 CZ3 TRP A 19 79.990 -10.375 24.520 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.221 -11.546 24.616 1.00 0.00 C ATOM 0 H TRP A 19 76.621 -6.893 28.160 1.00 0.00 H new ATOM 0 HA TRP A 19 78.873 -5.224 27.451 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.198 -7.237 27.844 1.00 0.00 H new ATOM 0 HB3 TRP A 19 78.991 -7.093 29.106 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.139 -8.941 29.265 1.00 0.00 H new ATOM 0 HE1 TRP A 19 76.741 -11.208 28.095 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.458 -8.457 25.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 77.724 -12.595 25.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.689 -10.260 23.705 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.327 -12.327 23.878 1.00 0.00 H new ATOM 312 N ARG A 20 77.552 -7.071 25.133 1.00 0.00 N ATOM 313 CA ARG A 20 77.672 -7.373 23.682 1.00 0.00 C ATOM 314 C ARG A 20 77.824 -6.070 22.893 1.00 0.00 C ATOM 315 O ARG A 20 78.590 -5.984 21.956 1.00 0.00 O ATOM 316 CB ARG A 20 76.429 -8.119 23.217 1.00 0.00 C ATOM 317 CG ARG A 20 76.420 -9.543 23.790 1.00 0.00 C ATOM 318 CD ARG A 20 75.160 -10.268 23.308 1.00 0.00 C ATOM 319 NE ARG A 20 73.962 -9.516 23.789 1.00 0.00 N ATOM 320 CZ ARG A 20 72.786 -9.753 23.277 1.00 0.00 C ATOM 321 NH1 ARG A 20 72.665 -10.619 22.309 1.00 0.00 N ATOM 322 NH2 ARG A 20 71.737 -9.117 23.727 1.00 0.00 N ATOM 0 H ARG A 20 76.679 -7.358 25.575 1.00 0.00 H new ATOM 0 HA ARG A 20 78.551 -7.995 23.511 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.534 -7.585 23.537 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.405 -8.157 22.128 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.311 -10.083 23.469 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.442 -9.510 24.879 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.154 -10.333 22.220 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.143 -11.289 23.688 1.00 0.00 H new ATOM 0 HE ARG A 20 74.064 -8.814 24.522 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.488 -11.107 21.956 1.00 0.00 H new ATOM 0 HH12 ARG A 20 71.747 -10.808 21.905 1.00 0.00 H new ATOM 0 HH21 ARG A 20 71.838 -8.435 24.479 1.00 0.00 H new ATOM 0 HH22 ARG A 20 70.817 -9.302 23.326 1.00 0.00 H new ATOM 336 N ALA A 21 77.098 -5.057 23.260 1.00 0.00 N ATOM 337 CA ALA A 21 77.204 -3.772 22.527 1.00 0.00 C ATOM 338 C ALA A 21 78.640 -3.249 22.625 1.00 0.00 C ATOM 339 O ALA A 21 79.203 -2.749 21.669 1.00 0.00 O ATOM 340 CB ALA A 21 76.256 -2.746 23.153 1.00 0.00 C ATOM 0 H ALA A 21 76.436 -5.063 24.036 1.00 0.00 H new ATOM 0 HA ALA A 21 76.937 -3.929 21.482 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.334 -1.802 22.614 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.232 -3.114 23.094 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.526 -2.591 24.198 1.00 0.00 H new ATOM 346 N MET A 22 79.234 -3.359 23.780 1.00 0.00 N ATOM 347 CA MET A 22 80.623 -2.861 23.955 1.00 0.00 C ATOM 348 C MET A 22 81.559 -3.633 23.018 1.00 0.00 C ATOM 349 O MET A 22 82.381 -3.058 22.330 1.00 0.00 O ATOM 350 CB MET A 22 81.050 -3.080 25.408 1.00 0.00 C ATOM 351 CG MET A 22 82.375 -2.355 25.677 1.00 0.00 C ATOM 352 SD MET A 22 83.124 -3.002 27.195 1.00 0.00 S ATOM 353 CE MET A 22 81.713 -2.729 28.294 1.00 0.00 C ATOM 0 H MET A 22 78.815 -3.774 24.612 1.00 0.00 H new ATOM 0 HA MET A 22 80.672 -1.799 23.716 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.279 -2.709 26.083 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.162 -4.146 25.607 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.055 -2.494 24.836 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.202 -1.283 25.773 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.057 -2.703 29.328 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.237 -1.780 28.046 1.00 0.00 H new ATOM 0 HE3 MET A 22 80.994 -3.539 28.171 1.00 0.00 H new ATOM 363 N ALA A 23 81.446 -4.936 22.988 1.00 0.00 N ATOM 364 CA ALA A 23 82.333 -5.754 22.101 1.00 0.00 C ATOM 365 C ALA A 23 82.085 -5.372 20.633 1.00 0.00 C ATOM 366 O ALA A 23 82.998 -5.264 19.840 1.00 0.00 O ATOM 367 CB ALA A 23 82.019 -7.250 22.308 1.00 0.00 C ATOM 0 H ALA A 23 80.777 -5.472 23.540 1.00 0.00 H new ATOM 0 HA ALA A 23 83.377 -5.563 22.350 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.663 -7.849 21.664 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.197 -7.518 23.349 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.976 -7.441 22.057 1.00 0.00 H new ATOM 373 N SER A 24 80.848 -5.172 20.275 1.00 0.00 N ATOM 374 CA SER A 24 80.515 -4.799 18.868 1.00 0.00 C ATOM 375 C SER A 24 81.016 -3.377 18.565 1.00 0.00 C ATOM 376 O SER A 24 81.528 -3.108 17.496 1.00 0.00 O ATOM 377 CB SER A 24 78.998 -4.865 18.687 1.00 0.00 C ATOM 378 OG SER A 24 78.670 -4.594 17.334 1.00 0.00 O ATOM 0 H SER A 24 80.046 -5.251 20.900 1.00 0.00 H new ATOM 0 HA SER A 24 81.001 -5.492 18.181 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.630 -5.851 18.971 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.511 -4.142 19.342 1.00 0.00 H new ATOM 0 HG SER A 24 77.698 -4.638 17.218 1.00 0.00 H new ATOM 384 N ASP A 25 80.874 -2.469 19.499 1.00 0.00 N ATOM 385 CA ASP A 25 81.344 -1.058 19.270 1.00 0.00 C ATOM 386 C ASP A 25 82.850 -1.045 19.009 1.00 0.00 C ATOM 387 O ASP A 25 83.335 -0.320 18.167 1.00 0.00 O ATOM 388 CB ASP A 25 81.047 -0.206 20.510 1.00 0.00 C ATOM 389 CG ASP A 25 81.536 1.229 20.298 1.00 0.00 C ATOM 390 OD1 ASP A 25 82.094 1.500 19.248 1.00 0.00 O ATOM 391 OD2 ASP A 25 81.349 2.031 21.196 1.00 0.00 O ATOM 0 H ASP A 25 80.453 -2.640 20.412 1.00 0.00 H new ATOM 0 HA ASP A 25 80.820 -0.649 18.406 1.00 0.00 H new ATOM 0 HB2 ASP A 25 79.976 -0.206 20.712 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.536 -0.639 21.383 1.00 0.00 H new ATOM 396 N PHE A 26 83.593 -1.834 19.737 1.00 0.00 N ATOM 397 CA PHE A 26 85.080 -1.872 19.555 1.00 0.00 C ATOM 398 C PHE A 26 85.493 -3.124 18.765 1.00 0.00 C ATOM 399 O PHE A 26 86.664 -3.360 18.526 1.00 0.00 O ATOM 400 CB PHE A 26 85.736 -1.887 20.941 1.00 0.00 C ATOM 401 CG PHE A 26 85.527 -0.541 21.604 1.00 0.00 C ATOM 402 CD1 PHE A 26 84.359 -0.290 22.335 1.00 0.00 C ATOM 403 CD2 PHE A 26 86.494 0.461 21.476 1.00 0.00 C ATOM 404 CE1 PHE A 26 84.161 0.961 22.930 1.00 0.00 C ATOM 405 CE2 PHE A 26 86.297 1.709 22.075 1.00 0.00 C ATOM 406 CZ PHE A 26 85.131 1.962 22.801 1.00 0.00 C ATOM 0 H PHE A 26 83.234 -2.461 20.457 1.00 0.00 H new ATOM 0 HA PHE A 26 85.404 -0.995 18.994 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.304 -2.679 21.553 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.801 -2.100 20.850 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.611 -1.062 22.439 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.396 0.270 20.913 1.00 0.00 H new ATOM 0 HE1 PHE A 26 83.258 1.155 23.490 1.00 0.00 H new ATOM 0 HE2 PHE A 26 87.048 2.479 21.976 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.978 2.927 23.261 1.00 0.00 H new ATOM 416 N ASN A 27 84.540 -3.920 18.350 1.00 0.00 N ATOM 417 CA ASN A 27 84.864 -5.155 17.568 1.00 0.00 C ATOM 418 C ASN A 27 85.898 -6.009 18.318 1.00 0.00 C ATOM 419 O ASN A 27 86.861 -6.478 17.745 1.00 0.00 O ATOM 420 CB ASN A 27 85.417 -4.759 16.205 1.00 0.00 C ATOM 421 CG ASN A 27 84.366 -3.940 15.458 1.00 0.00 C ATOM 422 OD1 ASN A 27 83.208 -4.306 15.417 1.00 0.00 O ATOM 423 ND2 ASN A 27 84.729 -2.840 14.852 1.00 0.00 N ATOM 0 H ASN A 27 83.546 -3.768 18.520 1.00 0.00 H new ATOM 0 HA ASN A 27 83.955 -5.742 17.440 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.331 -4.178 16.325 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.677 -5.649 15.632 1.00 0.00 H new ATOM 0 HD21 ASN A 27 84.040 -2.287 14.343 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.702 -2.535 14.888 1.00 0.00 H new ATOM 430 N LEU A 28 85.685 -6.232 19.593 1.00 0.00 N ATOM 431 CA LEU A 28 86.627 -7.075 20.402 1.00 0.00 C ATOM 432 C LEU A 28 85.848 -8.288 20.910 1.00 0.00 C ATOM 433 O LEU A 28 84.647 -8.216 21.092 1.00 0.00 O ATOM 434 CB LEU A 28 87.119 -6.271 21.610 1.00 0.00 C ATOM 435 CG LEU A 28 88.031 -5.125 21.155 1.00 0.00 C ATOM 436 CD1 LEU A 28 88.111 -4.079 22.264 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.437 -5.649 20.863 1.00 0.00 C ATOM 0 H LEU A 28 84.890 -5.862 20.115 1.00 0.00 H new ATOM 0 HA LEU A 28 87.479 -7.381 19.795 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.267 -5.870 22.159 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.660 -6.925 22.294 1.00 0.00 H new ATOM 0 HG LEU A 28 87.619 -4.683 20.247 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.758 -3.261 21.947 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.113 -3.692 22.472 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.519 -4.535 23.166 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.073 -4.824 20.541 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.853 -6.097 21.765 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.389 -6.400 20.074 1.00 0.00 H new ATOM 449 N PRO A 29 86.507 -9.397 21.139 1.00 0.00 N ATOM 450 CA PRO A 29 85.819 -10.625 21.639 1.00 0.00 C ATOM 451 C PRO A 29 85.306 -10.427 23.078 1.00 0.00 C ATOM 452 O PRO A 29 85.743 -9.533 23.773 1.00 0.00 O ATOM 453 CB PRO A 29 86.904 -11.710 21.574 1.00 0.00 C ATOM 454 CG PRO A 29 88.214 -10.971 21.616 1.00 0.00 C ATOM 455 CD PRO A 29 87.964 -9.615 20.948 1.00 0.00 C ATOM 0 HA PRO A 29 84.938 -10.883 21.051 1.00 0.00 H new ATOM 0 HB2 PRO A 29 86.817 -12.403 22.411 1.00 0.00 H new ATOM 0 HB3 PRO A 29 86.815 -12.300 20.662 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.555 -10.842 22.643 1.00 0.00 H new ATOM 0 HG3 PRO A 29 88.991 -11.526 21.090 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.552 -8.824 21.413 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.232 -9.633 19.892 1.00 0.00 H new ATOM 463 N PRO A 30 84.382 -11.250 23.515 1.00 0.00 N ATOM 464 CA PRO A 30 83.791 -11.150 24.891 1.00 0.00 C ATOM 465 C PRO A 30 84.873 -11.129 25.984 1.00 0.00 C ATOM 466 O PRO A 30 84.637 -10.709 27.093 1.00 0.00 O ATOM 467 CB PRO A 30 82.897 -12.408 25.010 1.00 0.00 C ATOM 468 CG PRO A 30 83.302 -13.297 23.871 1.00 0.00 C ATOM 469 CD PRO A 30 83.805 -12.371 22.765 1.00 0.00 C ATOM 0 HA PRO A 30 83.235 -10.223 25.029 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.046 -12.906 25.968 1.00 0.00 H new ATOM 0 HB3 PRO A 30 81.841 -12.146 24.947 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.081 -13.994 24.179 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.459 -13.895 23.525 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.547 -12.860 22.135 1.00 0.00 H new ATOM 0 HD3 PRO A 30 82.996 -12.046 22.111 1.00 0.00 H new ATOM 477 N VAL A 31 86.046 -11.593 25.679 1.00 0.00 N ATOM 478 CA VAL A 31 87.115 -11.615 26.715 1.00 0.00 C ATOM 479 C VAL A 31 87.407 -10.205 27.239 1.00 0.00 C ATOM 480 O VAL A 31 87.430 -9.979 28.435 1.00 0.00 O ATOM 481 CB VAL A 31 88.380 -12.205 26.086 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.584 -12.022 27.020 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.153 -13.694 25.820 1.00 0.00 C ATOM 0 H VAL A 31 86.314 -11.957 24.764 1.00 0.00 H new ATOM 0 HA VAL A 31 86.785 -12.221 27.559 1.00 0.00 H new ATOM 0 HB VAL A 31 88.590 -11.686 25.151 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.473 -12.448 26.555 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.744 -10.960 27.204 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.391 -12.529 27.966 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.049 -14.124 25.372 1.00 0.00 H new ATOM 0 HG22 VAL A 31 87.937 -14.203 26.760 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.311 -13.818 25.139 1.00 0.00 H new ATOM 493 N VAL A 32 87.633 -9.252 26.383 1.00 0.00 N ATOM 494 CA VAL A 32 87.925 -7.878 26.886 1.00 0.00 C ATOM 495 C VAL A 32 86.660 -7.300 27.520 1.00 0.00 C ATOM 496 O VAL A 32 86.702 -6.687 28.568 1.00 0.00 O ATOM 497 CB VAL A 32 88.388 -6.988 25.724 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.477 -5.523 26.174 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.757 -7.464 25.240 1.00 0.00 C ATOM 0 H VAL A 32 87.629 -9.359 25.369 1.00 0.00 H new ATOM 0 HA VAL A 32 88.718 -7.919 27.633 1.00 0.00 H new ATOM 0 HB VAL A 32 87.665 -7.058 24.911 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.807 -4.905 25.339 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.497 -5.185 26.510 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.191 -5.437 26.993 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.090 -6.835 24.415 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.475 -7.400 26.058 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.684 -8.498 24.902 1.00 0.00 H new ATOM 509 N ALA A 33 85.531 -7.496 26.891 1.00 0.00 N ATOM 510 CA ALA A 33 84.259 -6.968 27.463 1.00 0.00 C ATOM 511 C ALA A 33 83.940 -7.698 28.775 1.00 0.00 C ATOM 512 O ALA A 33 83.548 -7.095 29.756 1.00 0.00 O ATOM 513 CB ALA A 33 83.119 -7.174 26.467 1.00 0.00 C ATOM 0 H ALA A 33 85.435 -7.998 26.008 1.00 0.00 H new ATOM 0 HA ALA A 33 84.371 -5.902 27.663 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.192 -6.787 26.890 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.345 -6.645 25.541 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.006 -8.238 26.258 1.00 0.00 H new ATOM 519 N LYS A 34 84.105 -8.993 28.806 1.00 0.00 N ATOM 520 CA LYS A 34 83.816 -9.751 30.056 1.00 0.00 C ATOM 521 C LYS A 34 84.750 -9.279 31.172 1.00 0.00 C ATOM 522 O LYS A 34 84.353 -9.149 32.315 1.00 0.00 O ATOM 523 CB LYS A 34 84.007 -11.252 29.821 1.00 0.00 C ATOM 524 CG LYS A 34 82.897 -11.808 28.901 1.00 0.00 C ATOM 525 CD LYS A 34 81.630 -12.097 29.707 1.00 0.00 C ATOM 526 CE LYS A 34 80.565 -12.709 28.795 1.00 0.00 C ATOM 527 NZ LYS A 34 81.127 -13.904 28.117 1.00 0.00 N ATOM 0 H LYS A 34 84.427 -9.558 28.020 1.00 0.00 H new ATOM 0 HA LYS A 34 82.782 -9.570 30.349 1.00 0.00 H new ATOM 0 HB2 LYS A 34 84.983 -11.433 29.371 1.00 0.00 H new ATOM 0 HB3 LYS A 34 83.993 -11.779 30.775 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.677 -11.090 28.111 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.242 -12.720 28.415 1.00 0.00 H new ATOM 0 HD2 LYS A 34 81.857 -12.780 30.526 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.254 -11.177 30.154 1.00 0.00 H new ATOM 0 HE2 LYS A 34 79.687 -12.987 29.378 1.00 0.00 H new ATOM 0 HE3 LYS A 34 80.239 -11.977 28.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.391 -14.634 28.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.461 -13.640 27.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 81.923 -14.276 28.673 1.00 0.00 H new ATOM 541 N GLU A 35 85.994 -9.035 30.860 1.00 0.00 N ATOM 542 CA GLU A 35 86.941 -8.593 31.927 1.00 0.00 C ATOM 543 C GLU A 35 86.461 -7.273 32.524 1.00 0.00 C ATOM 544 O GLU A 35 86.510 -7.078 33.721 1.00 0.00 O ATOM 545 CB GLU A 35 88.348 -8.393 31.330 1.00 0.00 C ATOM 546 CG GLU A 35 89.344 -8.027 32.440 1.00 0.00 C ATOM 547 CD GLU A 35 89.230 -6.533 32.773 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.029 -5.750 31.858 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.348 -6.198 33.942 1.00 0.00 O ATOM 0 H GLU A 35 86.393 -9.121 29.925 1.00 0.00 H new ATOM 0 HA GLU A 35 86.980 -9.357 32.704 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.671 -9.304 30.827 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.324 -7.605 30.578 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.145 -8.623 33.330 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.360 -8.261 32.121 1.00 0.00 H new ATOM 556 N ILE A 36 85.979 -6.367 31.717 1.00 0.00 N ATOM 557 CA ILE A 36 85.495 -5.073 32.271 1.00 0.00 C ATOM 558 C ILE A 36 84.292 -5.343 33.170 1.00 0.00 C ATOM 559 O ILE A 36 84.155 -4.767 34.232 1.00 0.00 O ATOM 560 CB ILE A 36 85.090 -4.140 31.118 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.348 -3.708 30.357 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.394 -2.893 31.669 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.973 -3.102 29.000 1.00 0.00 C ATOM 0 H ILE A 36 85.900 -6.467 30.705 1.00 0.00 H new ATOM 0 HA ILE A 36 86.285 -4.595 32.850 1.00 0.00 H new ATOM 0 HB ILE A 36 84.408 -4.671 30.454 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.904 -2.979 30.946 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.004 -4.566 30.210 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.112 -2.239 30.844 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.501 -3.188 32.220 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.073 -2.362 32.336 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.879 -2.801 28.473 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.437 -3.843 28.406 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.336 -2.231 29.154 1.00 0.00 H new ATOM 575 N VAL A 37 83.431 -6.226 32.764 1.00 0.00 N ATOM 576 CA VAL A 37 82.247 -6.534 33.601 1.00 0.00 C ATOM 577 C VAL A 37 82.704 -7.126 34.934 1.00 0.00 C ATOM 578 O VAL A 37 82.155 -6.833 35.976 1.00 0.00 O ATOM 579 CB VAL A 37 81.370 -7.552 32.863 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.280 -8.087 33.790 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.703 -6.860 31.680 1.00 0.00 C ATOM 0 H VAL A 37 83.496 -6.747 31.890 1.00 0.00 H new ATOM 0 HA VAL A 37 81.679 -5.623 33.789 1.00 0.00 H new ATOM 0 HB VAL A 37 81.994 -8.380 32.527 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.666 -8.809 33.251 1.00 0.00 H new ATOM 0 HG12 VAL A 37 80.740 -8.573 34.650 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.655 -7.262 34.131 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.076 -7.575 31.147 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.088 -6.036 32.040 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.468 -6.474 31.006 1.00 0.00 H new ATOM 591 N ALA A 38 83.697 -7.965 34.901 1.00 0.00 N ATOM 592 CA ALA A 38 84.196 -8.601 36.147 1.00 0.00 C ATOM 593 C ALA A 38 84.901 -7.559 37.025 1.00 0.00 C ATOM 594 O ALA A 38 84.949 -7.674 38.236 1.00 0.00 O ATOM 595 CB ALA A 38 85.175 -9.717 35.777 1.00 0.00 C ATOM 0 H ALA A 38 84.191 -8.241 34.052 1.00 0.00 H new ATOM 0 HA ALA A 38 83.357 -9.016 36.706 1.00 0.00 H new ATOM 0 HB1 ALA A 38 85.547 -10.190 36.685 1.00 0.00 H new ATOM 0 HB2 ALA A 38 84.665 -10.460 35.164 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.011 -9.297 35.218 1.00 0.00 H new ATOM 601 N SER A 39 85.461 -6.548 36.424 1.00 0.00 N ATOM 602 CA SER A 39 86.171 -5.511 37.222 1.00 0.00 C ATOM 603 C SER A 39 85.149 -4.678 37.991 1.00 0.00 C ATOM 604 O SER A 39 85.353 -4.324 39.134 1.00 0.00 O ATOM 605 CB SER A 39 86.954 -4.595 36.279 1.00 0.00 C ATOM 606 OG SER A 39 88.051 -5.316 35.742 1.00 0.00 O ATOM 0 H SER A 39 85.458 -6.395 35.416 1.00 0.00 H new ATOM 0 HA SER A 39 86.855 -5.993 37.921 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.308 -4.240 35.476 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.308 -3.715 36.816 1.00 0.00 H new ATOM 0 HG SER A 39 87.999 -5.310 34.763 1.00 0.00 H new ATOM 612 N CYS A 40 84.043 -4.369 37.376 1.00 0.00 N ATOM 613 CA CYS A 40 83.006 -3.559 38.080 1.00 0.00 C ATOM 614 C CYS A 40 82.333 -4.418 39.157 1.00 0.00 C ATOM 615 O CYS A 40 81.651 -5.381 38.864 1.00 0.00 O ATOM 616 CB CYS A 40 81.959 -3.096 37.071 1.00 0.00 C ATOM 617 SG CYS A 40 80.884 -1.855 37.829 1.00 0.00 S ATOM 0 H CYS A 40 83.811 -4.640 36.420 1.00 0.00 H new ATOM 0 HA CYS A 40 83.473 -2.692 38.547 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.448 -2.678 36.191 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.366 -3.946 36.732 1.00 0.00 H new ATOM 0 HG CYS A 40 80.293 -1.166 36.898 1.00 0.00 H new ATOM 622 N ASP A 41 82.529 -4.085 40.405 1.00 0.00 N ATOM 623 CA ASP A 41 81.910 -4.882 41.494 1.00 0.00 C ATOM 624 C ASP A 41 80.384 -4.862 41.360 1.00 0.00 C ATOM 625 O ASP A 41 79.720 -5.860 41.578 1.00 0.00 O ATOM 626 CB ASP A 41 82.327 -4.299 42.851 1.00 0.00 C ATOM 627 CG ASP A 41 83.815 -4.582 43.086 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.627 -3.828 42.574 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.117 -5.552 43.764 1.00 0.00 O ATOM 0 H ASP A 41 83.093 -3.293 40.714 1.00 0.00 H new ATOM 0 HA ASP A 41 82.251 -5.915 41.424 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.141 -3.225 42.871 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.730 -4.741 43.649 1.00 0.00 H new ATOM 634 N LYS A 42 79.824 -3.734 41.015 1.00 0.00 N ATOM 635 CA LYS A 42 78.342 -3.638 40.885 1.00 0.00 C ATOM 636 C LYS A 42 77.825 -4.610 39.822 1.00 0.00 C ATOM 637 O LYS A 42 76.785 -5.217 39.993 1.00 0.00 O ATOM 638 CB LYS A 42 77.955 -2.204 40.492 1.00 0.00 C ATOM 639 CG LYS A 42 78.197 -1.267 41.676 1.00 0.00 C ATOM 640 CD LYS A 42 77.812 0.165 41.283 1.00 0.00 C ATOM 641 CE LYS A 42 78.059 1.102 42.467 1.00 0.00 C ATOM 642 NZ LYS A 42 77.790 2.516 42.057 1.00 0.00 N ATOM 0 H LYS A 42 80.331 -2.872 40.817 1.00 0.00 H new ATOM 0 HA LYS A 42 77.893 -3.898 41.844 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.542 -1.880 39.633 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.907 -2.168 40.194 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.609 -1.590 42.535 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.245 -1.304 41.975 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.398 0.487 40.422 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.763 0.203 40.988 1.00 0.00 H new ATOM 0 HE2 LYS A 42 77.414 0.826 43.302 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.088 1.003 42.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 77.959 3.150 42.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.423 2.777 41.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.801 2.606 41.748 1.00 0.00 H new ATOM 656 N CYS A 43 78.520 -4.761 38.728 1.00 0.00 N ATOM 657 CA CYS A 43 78.040 -5.690 37.661 1.00 0.00 C ATOM 658 C CYS A 43 78.347 -7.137 38.051 1.00 0.00 C ATOM 659 O CYS A 43 77.595 -8.041 37.748 1.00 0.00 O ATOM 660 CB CYS A 43 78.752 -5.389 36.336 1.00 0.00 C ATOM 661 SG CYS A 43 78.511 -3.657 35.887 1.00 0.00 S ATOM 0 H CYS A 43 79.398 -4.283 38.525 1.00 0.00 H new ATOM 0 HA CYS A 43 76.965 -5.551 37.546 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.816 -5.605 36.428 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.363 -6.035 35.549 1.00 0.00 H new ATOM 0 HG CYS A 43 79.372 -2.920 36.524 1.00 0.00 H new ATOM 666 N GLN A 44 79.463 -7.361 38.700 1.00 0.00 N ATOM 667 CA GLN A 44 79.841 -8.752 39.085 1.00 0.00 C ATOM 668 C GLN A 44 79.010 -9.200 40.288 1.00 0.00 C ATOM 669 O GLN A 44 78.132 -10.031 40.179 1.00 0.00 O ATOM 670 CB GLN A 44 81.323 -8.768 39.462 1.00 0.00 C ATOM 671 CG GLN A 44 81.769 -10.195 39.815 1.00 0.00 C ATOM 672 CD GLN A 44 83.262 -10.176 40.175 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.124 -9.836 39.263 1.00 0.00 O ATOM 674 NE2 GLN A 44 83.642 -10.464 41.293 1.00 0.00 N ATOM 0 H GLN A 44 80.127 -6.639 38.979 1.00 0.00 H new ATOM 0 HA GLN A 44 79.656 -9.429 38.251 1.00 0.00 H new ATOM 0 HB2 GLN A 44 81.920 -8.388 38.633 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.497 -8.105 40.310 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.184 -10.576 40.652 1.00 0.00 H new ATOM 0 HG3 GLN A 44 81.593 -10.864 38.973 1.00 0.00 H new ATOM 0 HE21 GLN A 44 82.966 -10.731 42.009 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.637 -10.439 41.516 1.00 0.00 H new ATOM 844 N PHE B 1 93.994 -14.586 21.475 1.00 0.00 N ATOM 845 CA PHE B 1 93.039 -14.338 22.594 1.00 0.00 C ATOM 846 C PHE B 1 92.487 -15.660 23.129 1.00 0.00 C ATOM 847 O PHE B 1 92.915 -16.158 24.152 1.00 0.00 O ATOM 848 CB PHE B 1 91.869 -13.486 22.097 1.00 0.00 C ATOM 849 CG PHE B 1 92.315 -12.051 21.923 1.00 0.00 C ATOM 850 CD1 PHE B 1 93.137 -11.703 20.845 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.897 -11.067 22.833 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.536 -10.375 20.674 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.304 -9.739 22.659 1.00 0.00 C ATOM 854 CZ PHE B 1 93.122 -9.393 21.577 1.00 0.00 C ATOM 0 H1 PHE B 1 94.203 -13.689 20.992 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.875 -14.989 21.853 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.571 -15.253 20.799 1.00 0.00 H new ATOM 0 HA PHE B 1 93.572 -13.818 23.390 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.499 -13.878 21.150 1.00 0.00 H new ATOM 0 HB3 PHE B 1 91.044 -13.536 22.807 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.462 -12.460 20.147 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.263 -11.334 23.665 1.00 0.00 H new ATOM 0 HE1 PHE B 1 94.167 -10.107 19.840 1.00 0.00 H new ATOM 0 HE2 PHE B 1 91.987 -8.981 23.360 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.433 -8.368 21.441 1.00 0.00 H new ATOM 866 N LEU B 2 91.512 -16.207 22.459 1.00 0.00 N ATOM 867 CA LEU B 2 90.884 -17.481 22.927 1.00 0.00 C ATOM 868 C LEU B 2 91.921 -18.617 23.003 1.00 0.00 C ATOM 869 O LEU B 2 91.919 -19.394 23.935 1.00 0.00 O ATOM 870 CB LEU B 2 89.783 -17.883 21.943 1.00 0.00 C ATOM 871 CG LEU B 2 88.684 -16.804 21.912 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.704 -17.112 20.768 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.933 -16.756 23.266 1.00 0.00 C ATOM 0 H LEU B 2 91.118 -15.825 21.599 1.00 0.00 H new ATOM 0 HA LEU B 2 90.473 -17.318 23.923 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.205 -18.013 20.946 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.355 -18.842 22.236 1.00 0.00 H new ATOM 0 HG LEU B 2 89.142 -15.829 21.744 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.924 -16.351 20.742 1.00 0.00 H new ATOM 0 HD12 LEU B 2 88.241 -17.114 19.819 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.251 -18.090 20.930 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.160 -15.988 23.226 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.473 -17.725 23.461 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.637 -16.521 24.064 1.00 0.00 H new ATOM 885 N ASP B 3 92.794 -18.739 22.031 1.00 0.00 N ATOM 886 CA ASP B 3 93.807 -19.850 22.070 1.00 0.00 C ATOM 887 C ASP B 3 94.751 -19.682 23.258 1.00 0.00 C ATOM 888 O ASP B 3 95.092 -20.637 23.922 1.00 0.00 O ATOM 889 CB ASP B 3 94.630 -19.834 20.785 1.00 0.00 C ATOM 890 CG ASP B 3 93.725 -20.242 19.632 1.00 0.00 C ATOM 891 OD1 ASP B 3 93.066 -19.371 19.093 1.00 0.00 O ATOM 892 OD2 ASP B 3 93.692 -21.420 19.321 1.00 0.00 O ATOM 0 H ASP B 3 92.852 -18.125 21.218 1.00 0.00 H new ATOM 0 HA ASP B 3 93.274 -20.796 22.169 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.042 -18.840 20.611 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.474 -20.519 20.866 1.00 0.00 H new ATOM 897 N GLY B 4 95.177 -18.486 23.541 1.00 0.00 N ATOM 898 CA GLY B 4 96.104 -18.286 24.696 1.00 0.00 C ATOM 899 C GLY B 4 95.388 -18.692 25.989 1.00 0.00 C ATOM 900 O GLY B 4 95.972 -19.222 26.915 1.00 0.00 O ATOM 0 H GLY B 4 94.928 -17.640 23.029 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.006 -18.883 24.562 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.417 -17.243 24.751 1.00 0.00 H new ATOM 904 N ILE B 5 94.121 -18.432 26.056 1.00 0.00 N ATOM 905 CA ILE B 5 93.337 -18.786 27.266 1.00 0.00 C ATOM 906 C ILE B 5 93.243 -20.307 27.403 1.00 0.00 C ATOM 907 O ILE B 5 93.315 -20.842 28.491 1.00 0.00 O ATOM 908 CB ILE B 5 91.944 -18.182 27.130 1.00 0.00 C ATOM 909 CG1 ILE B 5 92.047 -16.657 27.274 1.00 0.00 C ATOM 910 CG2 ILE B 5 91.008 -18.775 28.198 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.694 -16.020 26.967 1.00 0.00 C ATOM 0 H ILE B 5 93.585 -17.982 25.314 1.00 0.00 H new ATOM 0 HA ILE B 5 93.826 -18.393 28.157 1.00 0.00 H new ATOM 0 HB ILE B 5 91.528 -18.418 26.151 1.00 0.00 H new ATOM 0 HG12 ILE B 5 92.361 -16.398 28.285 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.806 -16.268 26.595 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.015 -18.338 28.094 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.945 -19.855 28.067 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.400 -18.552 29.190 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.770 -14.938 27.070 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.398 -16.268 25.948 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.947 -16.399 27.664 1.00 0.00 H new ATOM 923 N ASP B 6 93.059 -21.017 26.320 1.00 0.00 N ATOM 924 CA ASP B 6 92.938 -22.499 26.428 1.00 0.00 C ATOM 925 C ASP B 6 94.204 -23.082 27.057 1.00 0.00 C ATOM 926 O ASP B 6 94.146 -23.850 27.999 1.00 0.00 O ATOM 927 CB ASP B 6 92.760 -23.106 25.037 1.00 0.00 C ATOM 928 CG ASP B 6 92.660 -24.631 25.152 1.00 0.00 C ATOM 929 OD1 ASP B 6 91.557 -25.122 25.315 1.00 0.00 O ATOM 930 OD2 ASP B 6 93.692 -25.280 25.081 1.00 0.00 O ATOM 0 H ASP B 6 92.988 -20.639 25.375 1.00 0.00 H new ATOM 0 HA ASP B 6 92.075 -22.734 27.050 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.861 -22.707 24.567 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.601 -22.833 24.400 1.00 0.00 H new ATOM 935 N LYS B 7 95.349 -22.721 26.561 1.00 0.00 N ATOM 936 CA LYS B 7 96.599 -23.260 27.158 1.00 0.00 C ATOM 937 C LYS B 7 96.748 -22.721 28.575 1.00 0.00 C ATOM 938 O LYS B 7 97.165 -23.419 29.480 1.00 0.00 O ATOM 939 CB LYS B 7 97.809 -22.821 26.332 1.00 0.00 C ATOM 940 CG LYS B 7 97.713 -23.380 24.900 1.00 0.00 C ATOM 941 CD LYS B 7 97.879 -24.907 24.913 1.00 0.00 C ATOM 942 CE LYS B 7 98.256 -25.399 23.511 1.00 0.00 C ATOM 943 NZ LYS B 7 99.684 -25.094 23.242 1.00 0.00 N ATOM 0 H LYS B 7 95.475 -22.082 25.776 1.00 0.00 H new ATOM 0 HA LYS B 7 96.547 -24.349 27.171 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.861 -21.733 26.302 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.727 -23.171 26.805 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.750 -23.116 24.463 1.00 0.00 H new ATOM 0 HG3 LYS B 7 98.482 -22.929 24.274 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.650 -25.192 25.628 1.00 0.00 H new ATOM 0 HD3 LYS B 7 96.952 -25.380 25.238 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.082 -26.472 23.433 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.624 -24.918 22.764 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 100.025 -25.690 22.461 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.782 -24.092 22.982 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 100.247 -25.287 24.095 1.00 0.00 H new ATOM 957 N ALA B 8 96.415 -21.481 28.772 1.00 0.00 N ATOM 958 CA ALA B 8 96.538 -20.889 30.129 1.00 0.00 C ATOM 959 C ALA B 8 95.490 -21.503 31.057 1.00 0.00 C ATOM 960 O ALA B 8 95.746 -21.769 32.214 1.00 0.00 O ATOM 961 CB ALA B 8 96.339 -19.374 30.063 1.00 0.00 C ATOM 0 H ALA B 8 96.062 -20.850 28.052 1.00 0.00 H new ATOM 0 HA ALA B 8 97.535 -21.100 30.517 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.431 -18.951 31.063 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.096 -18.936 29.412 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.348 -19.154 29.666 1.00 0.00 H new ATOM 967 N GLN B 9 94.301 -21.715 30.561 1.00 0.00 N ATOM 968 CA GLN B 9 93.227 -22.290 31.416 1.00 0.00 C ATOM 969 C GLN B 9 93.579 -23.715 31.837 1.00 0.00 C ATOM 970 O GLN B 9 93.923 -24.553 31.022 1.00 0.00 O ATOM 971 CB GLN B 9 91.920 -22.297 30.627 1.00 0.00 C ATOM 972 CG GLN B 9 90.776 -22.719 31.540 1.00 0.00 C ATOM 973 CD GLN B 9 89.460 -22.710 30.757 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.337 -23.334 29.720 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.460 -22.014 31.217 1.00 0.00 N ATOM 0 H GLN B 9 94.028 -21.514 29.599 1.00 0.00 H new ATOM 0 HA GLN B 9 93.121 -21.682 32.315 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.725 -21.306 30.217 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.997 -22.982 29.782 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.966 -23.715 31.940 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.708 -22.042 32.391 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.560 -21.490 32.086 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.576 -21.993 30.708 1.00 0.00 H new ATOM 984 N GLU B 10 93.486 -23.997 33.115 1.00 0.00 N ATOM 985 CA GLU B 10 93.807 -25.370 33.624 1.00 0.00 C ATOM 986 C GLU B 10 92.937 -25.664 34.850 1.00 0.00 C ATOM 987 O GLU B 10 91.966 -24.978 35.112 1.00 0.00 O ATOM 988 CB GLU B 10 95.294 -25.445 34.024 1.00 0.00 C ATOM 989 CG GLU B 10 96.177 -25.422 32.763 1.00 0.00 C ATOM 990 CD GLU B 10 97.658 -25.489 33.154 1.00 0.00 C ATOM 991 OE1 GLU B 10 97.995 -24.985 34.213 1.00 0.00 O ATOM 992 OE2 GLU B 10 98.430 -26.045 32.389 1.00 0.00 O ATOM 0 H GLU B 10 93.200 -23.331 33.832 1.00 0.00 H new ATOM 0 HA GLU B 10 93.609 -26.103 32.842 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.548 -24.606 34.672 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.481 -26.356 34.593 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.925 -26.264 32.118 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.985 -24.514 32.192 1.00 0.00 H new ATOM 999 N GLU B 11 93.280 -26.676 35.607 1.00 0.00 N ATOM 1000 CA GLU B 11 92.482 -27.015 36.830 1.00 0.00 C ATOM 1001 C GLU B 11 92.716 -25.944 37.899 1.00 0.00 C ATOM 1002 O GLU B 11 93.741 -25.285 37.923 1.00 0.00 O ATOM 1003 CB GLU B 11 92.930 -28.374 37.366 1.00 0.00 C ATOM 1004 CG GLU B 11 92.522 -29.470 36.376 1.00 0.00 C ATOM 1005 CD GLU B 11 90.998 -29.699 36.414 1.00 0.00 C ATOM 1006 OE1 GLU B 11 90.456 -29.858 37.500 1.00 0.00 O ATOM 1007 OE2 GLU B 11 90.397 -29.710 35.352 1.00 0.00 O ATOM 0 H GLU B 11 94.080 -27.285 35.432 1.00 0.00 H new ATOM 0 HA GLU B 11 91.422 -27.054 36.577 1.00 0.00 H new ATOM 0 HB2 GLU B 11 94.010 -28.382 37.510 1.00 0.00 H new ATOM 0 HB3 GLU B 11 92.477 -28.561 38.340 1.00 0.00 H new ATOM 0 HG2 GLU B 11 92.827 -29.189 35.368 1.00 0.00 H new ATOM 0 HG3 GLU B 11 93.040 -30.398 36.619 1.00 0.00 H new ATOM 1014 N HIS B 12 91.775 -25.761 38.782 1.00 0.00 N ATOM 1015 CA HIS B 12 91.941 -24.724 39.845 1.00 0.00 C ATOM 1016 C HIS B 12 93.111 -25.103 40.754 1.00 0.00 C ATOM 1017 O HIS B 12 92.924 -25.511 41.886 1.00 0.00 O ATOM 1018 CB HIS B 12 90.652 -24.631 40.668 1.00 0.00 C ATOM 1019 CG HIS B 12 90.842 -23.672 41.814 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.630 -22.301 41.694 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.196 -23.880 43.125 1.00 0.00 C ATOM 1022 CE1 HIS B 12 90.846 -21.751 42.913 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.196 -22.677 43.811 1.00 0.00 N ATOM 0 H HIS B 12 90.899 -26.282 38.816 1.00 0.00 H new ATOM 0 HA HIS B 12 92.146 -23.758 39.384 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.830 -24.296 40.035 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.381 -25.616 41.048 1.00 0.00 H new ATOM 0 HD1 HIS B 12 90.362 -21.803 40.845 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.438 -24.840 43.557 1.00 0.00 H new ATOM 0 HE1 HIS B 12 90.748 -20.698 43.131 1.00 0.00 H new ATOM 1031 N GLU B 13 94.319 -24.965 40.265 1.00 0.00 N ATOM 1032 CA GLU B 13 95.518 -25.304 41.098 1.00 0.00 C ATOM 1033 C GLU B 13 96.062 -24.028 41.740 1.00 0.00 C ATOM 1034 O GLU B 13 95.384 -23.024 41.828 1.00 0.00 O ATOM 1035 CB GLU B 13 96.607 -25.931 40.229 1.00 0.00 C ATOM 1036 CG GLU B 13 96.132 -27.275 39.688 1.00 0.00 C ATOM 1037 CD GLU B 13 97.217 -27.854 38.780 1.00 0.00 C ATOM 1038 OE1 GLU B 13 97.950 -27.071 38.192 1.00 0.00 O ATOM 1039 OE2 GLU B 13 97.303 -29.065 38.689 1.00 0.00 O ATOM 0 H GLU B 13 94.528 -24.632 39.324 1.00 0.00 H new ATOM 0 HA GLU B 13 95.224 -26.016 41.869 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.854 -25.264 39.403 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.517 -26.066 40.813 1.00 0.00 H new ATOM 0 HG2 GLU B 13 95.923 -27.960 40.510 1.00 0.00 H new ATOM 0 HG3 GLU B 13 95.202 -27.151 39.133 1.00 0.00 H new ATOM 1046 N LYS B 14 97.289 -24.064 42.199 1.00 0.00 N ATOM 1047 CA LYS B 14 97.888 -22.867 42.852 1.00 0.00 C ATOM 1048 C LYS B 14 98.138 -21.774 41.801 1.00 0.00 C ATOM 1049 O LYS B 14 98.173 -20.598 42.101 1.00 0.00 O ATOM 1050 CB LYS B 14 99.203 -23.271 43.535 1.00 0.00 C ATOM 1051 CG LYS B 14 98.923 -24.340 44.596 1.00 0.00 C ATOM 1052 CD LYS B 14 100.219 -24.734 45.292 1.00 0.00 C ATOM 1053 CE LYS B 14 99.919 -25.827 46.317 1.00 0.00 C ATOM 1054 NZ LYS B 14 98.995 -25.296 47.369 1.00 0.00 N ATOM 0 H LYS B 14 97.902 -24.878 42.147 1.00 0.00 H new ATOM 0 HA LYS B 14 97.204 -22.473 43.604 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.906 -23.654 42.795 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.668 -22.400 43.996 1.00 0.00 H new ATOM 0 HG2 LYS B 14 98.209 -23.961 45.327 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.469 -25.215 44.131 1.00 0.00 H new ATOM 0 HD2 LYS B 14 100.945 -25.091 44.562 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.661 -23.867 45.784 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.467 -26.687 45.823 1.00 0.00 H new ATOM 0 HE3 LYS B 14 100.846 -26.173 46.775 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 99.345 -25.571 48.309 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 98.954 -24.259 47.304 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 98.043 -25.689 47.226 1.00 0.00 H new ATOM 1068 N TYR B 15 98.328 -22.156 40.573 1.00 0.00 N ATOM 1069 CA TYR B 15 98.592 -21.149 39.506 1.00 0.00 C ATOM 1070 C TYR B 15 97.416 -20.167 39.401 1.00 0.00 C ATOM 1071 O TYR B 15 97.615 -18.994 39.158 1.00 0.00 O ATOM 1072 CB TYR B 15 98.803 -21.873 38.168 1.00 0.00 C ATOM 1073 CG TYR B 15 100.209 -22.440 38.108 1.00 0.00 C ATOM 1074 CD1 TYR B 15 100.488 -23.726 38.614 1.00 0.00 C ATOM 1075 CD2 TYR B 15 101.233 -21.675 37.544 1.00 0.00 C ATOM 1076 CE1 TYR B 15 101.797 -24.229 38.550 1.00 0.00 C ATOM 1077 CE2 TYR B 15 102.540 -22.177 37.481 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.825 -23.455 37.986 1.00 0.00 C ATOM 1079 OH TYR B 15 104.116 -23.951 37.924 1.00 0.00 O ATOM 0 H TYR B 15 98.312 -23.126 40.258 1.00 0.00 H new ATOM 0 HA TYR B 15 99.490 -20.583 39.755 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.073 -22.675 38.058 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.644 -21.182 37.341 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.699 -24.321 39.049 1.00 0.00 H new ATOM 0 HD2 TYR B 15 101.016 -20.691 37.154 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.015 -25.214 38.936 1.00 0.00 H new ATOM 0 HE2 TYR B 15 103.327 -21.581 37.044 1.00 0.00 H new ATOM 0 HH TYR B 15 104.702 -23.287 37.503 1.00 0.00 H new ATOM 1089 N HIS B 16 96.197 -20.611 39.598 1.00 0.00 N ATOM 1090 CA HIS B 16 95.059 -19.653 39.511 1.00 0.00 C ATOM 1091 C HIS B 16 95.257 -18.559 40.566 1.00 0.00 C ATOM 1092 O HIS B 16 95.026 -17.399 40.313 1.00 0.00 O ATOM 1093 CB HIS B 16 93.725 -20.377 39.802 1.00 0.00 C ATOM 1094 CG HIS B 16 93.263 -21.113 38.576 1.00 0.00 C ATOM 1095 ND1 HIS B 16 91.952 -21.561 38.421 1.00 0.00 N ATOM 1096 CD2 HIS B 16 93.924 -21.475 37.431 1.00 0.00 C ATOM 1097 CE1 HIS B 16 91.873 -22.157 37.214 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.047 -22.135 36.578 1.00 0.00 N ATOM 0 H HIS B 16 95.947 -21.577 39.811 1.00 0.00 H new ATOM 0 HA HIS B 16 95.027 -19.227 38.508 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.853 -21.075 40.629 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.969 -19.655 40.109 1.00 0.00 H new ATOM 0 HD2 HIS B 16 94.965 -21.278 37.224 1.00 0.00 H new ATOM 0 HE1 HIS B 16 90.973 -22.597 36.812 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.257 -22.522 35.658 1.00 0.00 H new ATOM 1106 N SER B 17 95.690 -18.917 41.748 1.00 0.00 N ATOM 1107 CA SER B 17 95.895 -17.877 42.798 1.00 0.00 C ATOM 1108 C SER B 17 96.960 -16.900 42.310 1.00 0.00 C ATOM 1109 O SER B 17 96.811 -15.696 42.419 1.00 0.00 O ATOM 1110 CB SER B 17 96.339 -18.539 44.109 1.00 0.00 C ATOM 1111 OG SER B 17 97.590 -19.183 43.917 1.00 0.00 O ATOM 0 H SER B 17 95.908 -19.873 42.028 1.00 0.00 H new ATOM 0 HA SER B 17 94.963 -17.342 42.983 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.421 -17.790 44.897 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.592 -19.263 44.434 1.00 0.00 H new ATOM 0 HG SER B 17 97.516 -19.829 43.184 1.00 0.00 H new ATOM 1117 N ASN B 18 98.029 -17.405 41.748 1.00 0.00 N ATOM 1118 CA ASN B 18 99.096 -16.505 41.224 1.00 0.00 C ATOM 1119 C ASN B 18 98.822 -16.208 39.744 1.00 0.00 C ATOM 1120 O ASN B 18 99.325 -16.878 38.861 1.00 0.00 O ATOM 1121 CB ASN B 18 100.453 -17.193 41.360 1.00 0.00 C ATOM 1122 CG ASN B 18 100.734 -17.547 42.823 1.00 0.00 C ATOM 1123 OD1 ASN B 18 101.068 -18.676 43.127 1.00 0.00 O ATOM 1124 ND2 ASN B 18 100.605 -16.636 43.743 1.00 0.00 N ATOM 0 H ASN B 18 98.207 -18.402 41.630 1.00 0.00 H new ATOM 0 HA ASN B 18 99.102 -15.574 41.791 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.471 -18.097 40.752 1.00 0.00 H new ATOM 0 HB3 ASN B 18 101.238 -16.539 40.981 1.00 0.00 H new ATOM 0 HD21 ASN B 18 100.784 -16.869 44.720 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.325 -15.689 43.487 1.00 0.00 H new ATOM 1131 N TRP B 19 98.020 -15.211 39.473 1.00 0.00 N ATOM 1132 CA TRP B 19 97.702 -14.860 38.063 1.00 0.00 C ATOM 1133 C TRP B 19 98.919 -14.207 37.398 1.00 0.00 C ATOM 1134 O TRP B 19 99.069 -14.245 36.194 1.00 0.00 O ATOM 1135 CB TRP B 19 96.497 -13.912 38.018 1.00 0.00 C ATOM 1136 CG TRP B 19 96.838 -12.603 38.658 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.529 -12.259 39.926 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.539 -11.459 38.088 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.989 -10.978 40.173 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.627 -10.444 39.070 1.00 0.00 C ATOM 1141 CE3 TRP B 19 98.103 -11.209 36.825 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 98.251 -9.228 38.809 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.737 -9.983 36.557 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.812 -8.996 37.548 1.00 0.00 C ATOM 0 H TRP B 19 97.570 -14.623 40.175 1.00 0.00 H new ATOM 0 HA TRP B 19 97.452 -15.770 37.517 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.192 -13.750 36.984 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.650 -14.366 38.533 1.00 0.00 H new ATOM 0 HD1 TRP B 19 96.006 -12.884 40.635 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.872 -10.488 41.060 1.00 0.00 H new ATOM 0 HE3 TRP B 19 98.049 -11.964 36.055 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 98.302 -8.468 39.575 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.168 -9.802 35.583 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.302 -8.057 37.339 1.00 0.00 H new ATOM 1155 N ARG B 20 99.776 -13.599 38.174 1.00 0.00 N ATOM 1156 CA ARG B 20 100.972 -12.932 37.580 1.00 0.00 C ATOM 1157 C ARG B 20 101.824 -13.961 36.842 1.00 0.00 C ATOM 1158 O ARG B 20 102.317 -13.701 35.762 1.00 0.00 O ATOM 1159 CB ARG B 20 101.795 -12.263 38.697 1.00 0.00 C ATOM 1160 CG ARG B 20 101.023 -11.056 39.237 1.00 0.00 C ATOM 1161 CD ARG B 20 101.867 -10.358 40.304 1.00 0.00 C ATOM 1162 NE ARG B 20 102.127 -11.334 41.390 1.00 0.00 N ATOM 1163 CZ ARG B 20 103.051 -11.105 42.272 1.00 0.00 C ATOM 1164 NH1 ARG B 20 103.769 -10.017 42.199 1.00 0.00 N ATOM 1165 NH2 ARG B 20 103.255 -11.967 43.227 1.00 0.00 N ATOM 0 H ARG B 20 99.701 -13.535 39.189 1.00 0.00 H new ATOM 0 HA ARG B 20 100.649 -12.170 36.871 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.988 -12.975 39.499 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.764 -11.947 38.311 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.793 -10.364 38.427 1.00 0.00 H new ATOM 0 HG3 ARG B 20 100.072 -11.377 39.661 1.00 0.00 H new ATOM 0 HD2 ARG B 20 102.805 -10.004 39.877 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.344 -9.485 40.693 1.00 0.00 H new ATOM 0 HE ARG B 20 101.576 -12.191 41.444 1.00 0.00 H new ATOM 0 HH11 ARG B 20 103.604 -9.346 41.448 1.00 0.00 H new ATOM 0 HH12 ARG B 20 104.495 -9.838 42.893 1.00 0.00 H new ATOM 0 HH21 ARG B 20 102.690 -12.815 43.278 1.00 0.00 H new ATOM 0 HH22 ARG B 20 103.979 -11.794 43.924 1.00 0.00 H new ATOM 1179 N ALA B 21 101.998 -15.119 37.397 1.00 0.00 N ATOM 1180 CA ALA B 21 102.812 -16.156 36.711 1.00 0.00 C ATOM 1181 C ALA B 21 102.180 -16.515 35.363 1.00 0.00 C ATOM 1182 O ALA B 21 102.858 -16.720 34.373 1.00 0.00 O ATOM 1183 CB ALA B 21 102.879 -17.400 37.585 1.00 0.00 C ATOM 0 H ALA B 21 101.612 -15.396 38.299 1.00 0.00 H new ATOM 0 HA ALA B 21 103.816 -15.768 36.540 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.475 -18.164 37.086 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.338 -17.149 38.541 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.872 -17.780 37.755 1.00 0.00 H new ATOM 1189 N MET B 22 100.881 -16.610 35.316 1.00 0.00 N ATOM 1190 CA MET B 22 100.202 -16.959 34.038 1.00 0.00 C ATOM 1191 C MET B 22 100.498 -15.877 33.005 1.00 0.00 C ATOM 1192 O MET B 22 100.836 -16.152 31.870 1.00 0.00 O ATOM 1193 CB MET B 22 98.691 -17.017 34.294 1.00 0.00 C ATOM 1194 CG MET B 22 97.987 -17.604 33.072 1.00 0.00 C ATOM 1195 SD MET B 22 96.201 -17.306 33.170 1.00 0.00 S ATOM 1196 CE MET B 22 95.926 -17.983 34.823 1.00 0.00 C ATOM 0 H MET B 22 100.259 -16.460 36.110 1.00 0.00 H new ATOM 0 HA MET B 22 100.558 -17.921 33.669 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.484 -17.627 35.173 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.308 -16.018 34.502 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.388 -17.156 32.163 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.181 -18.675 33.012 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.870 -18.226 34.946 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.523 -18.886 34.950 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.218 -17.246 35.571 1.00 0.00 H new ATOM 1206 N ALA B 23 100.367 -14.642 33.396 1.00 0.00 N ATOM 1207 CA ALA B 23 100.623 -13.528 32.446 1.00 0.00 C ATOM 1208 C ALA B 23 102.091 -13.556 31.994 1.00 0.00 C ATOM 1209 O ALA B 23 102.408 -13.342 30.840 1.00 0.00 O ATOM 1210 CB ALA B 23 100.331 -12.190 33.147 1.00 0.00 C ATOM 0 H ALA B 23 100.093 -14.356 34.336 1.00 0.00 H new ATOM 0 HA ALA B 23 99.977 -13.639 31.575 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.517 -11.369 32.455 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.289 -12.166 33.467 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.980 -12.086 34.017 1.00 0.00 H new ATOM 1216 N SER B 24 102.984 -13.802 32.909 1.00 0.00 N ATOM 1217 CA SER B 24 104.431 -13.833 32.559 1.00 0.00 C ATOM 1218 C SER B 24 104.729 -15.059 31.683 1.00 0.00 C ATOM 1219 O SER B 24 105.499 -14.986 30.746 1.00 0.00 O ATOM 1220 CB SER B 24 105.272 -13.878 33.841 1.00 0.00 C ATOM 1221 OG SER B 24 106.654 -13.774 33.512 1.00 0.00 O ATOM 0 H SER B 24 102.773 -13.984 33.890 1.00 0.00 H new ATOM 0 HA SER B 24 104.687 -12.933 32.000 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.984 -13.063 34.505 1.00 0.00 H new ATOM 0 HB3 SER B 24 105.085 -14.808 34.378 1.00 0.00 H new ATOM 0 HG SER B 24 107.189 -13.801 34.333 1.00 0.00 H new ATOM 1227 N ASP B 25 104.131 -16.181 31.986 1.00 0.00 N ATOM 1228 CA ASP B 25 104.378 -17.419 31.182 1.00 0.00 C ATOM 1229 C ASP B 25 103.954 -17.188 29.732 1.00 0.00 C ATOM 1230 O ASP B 25 104.618 -17.607 28.805 1.00 0.00 O ATOM 1231 CB ASP B 25 103.553 -18.575 31.764 1.00 0.00 C ATOM 1232 CG ASP B 25 103.811 -19.841 30.949 1.00 0.00 C ATOM 1233 OD1 ASP B 25 104.576 -19.762 30.000 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.244 -20.865 31.286 1.00 0.00 O ATOM 0 H ASP B 25 103.477 -16.296 32.761 1.00 0.00 H new ATOM 0 HA ASP B 25 105.440 -17.663 31.217 1.00 0.00 H new ATOM 0 HB2 ASP B 25 103.822 -18.739 32.807 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.492 -18.326 31.744 1.00 0.00 H new ATOM 1239 N PHE B 26 102.843 -16.536 29.531 1.00 0.00 N ATOM 1240 CA PHE B 26 102.347 -16.285 28.142 1.00 0.00 C ATOM 1241 C PHE B 26 102.661 -14.844 27.725 1.00 0.00 C ATOM 1242 O PHE B 26 102.346 -14.424 26.628 1.00 0.00 O ATOM 1243 CB PHE B 26 100.832 -16.526 28.113 1.00 0.00 C ATOM 1244 CG PHE B 26 100.569 -18.010 28.238 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.442 -18.598 29.507 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.464 -18.803 27.091 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.214 -19.977 29.627 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.233 -20.187 27.210 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.106 -20.774 28.479 1.00 0.00 C ATOM 0 H PHE B 26 102.251 -16.162 30.273 1.00 0.00 H new ATOM 0 HA PHE B 26 102.841 -16.960 27.443 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.349 -15.988 28.929 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.408 -16.145 27.184 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.520 -17.986 30.394 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.560 -18.354 26.114 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.122 -20.425 30.605 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.153 -20.798 26.323 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.926 -21.835 28.570 1.00 0.00 H new ATOM 1259 N ASN B 27 103.285 -14.085 28.586 1.00 0.00 N ATOM 1260 CA ASN B 27 103.630 -12.673 28.238 1.00 0.00 C ATOM 1261 C ASN B 27 102.378 -11.916 27.783 1.00 0.00 C ATOM 1262 O ASN B 27 102.371 -11.274 26.750 1.00 0.00 O ATOM 1263 CB ASN B 27 104.697 -12.637 27.130 1.00 0.00 C ATOM 1264 CG ASN B 27 105.961 -13.359 27.612 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.423 -13.133 28.713 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.545 -14.215 26.820 1.00 0.00 N ATOM 0 H ASN B 27 103.572 -14.382 29.519 1.00 0.00 H new ATOM 0 HA ASN B 27 104.032 -12.188 29.128 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.315 -13.114 26.227 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.932 -11.605 26.870 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.391 -14.696 27.124 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.155 -14.403 25.896 1.00 0.00 H new ATOM 1273 N LEU B 28 101.324 -11.976 28.558 1.00 0.00 N ATOM 1274 CA LEU B 28 100.058 -11.251 28.216 1.00 0.00 C ATOM 1275 C LEU B 28 99.723 -10.305 29.385 1.00 0.00 C ATOM 1276 O LEU B 28 100.084 -10.572 30.512 1.00 0.00 O ATOM 1277 CB LEU B 28 98.916 -12.268 28.071 1.00 0.00 C ATOM 1278 CG LEU B 28 99.118 -13.165 26.835 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.293 -14.451 26.987 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.658 -12.423 25.578 1.00 0.00 C ATOM 0 H LEU B 28 101.285 -12.506 29.429 1.00 0.00 H new ATOM 0 HA LEU B 28 100.179 -10.696 27.285 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.861 -12.887 28.967 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.965 -11.741 27.989 1.00 0.00 H new ATOM 0 HG LEU B 28 100.175 -13.415 26.748 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.439 -15.083 26.111 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.617 -14.988 27.879 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.237 -14.197 27.080 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.802 -13.061 24.706 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.602 -12.169 25.671 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.241 -11.510 25.461 1.00 0.00 H new ATOM 1292 N PRO B 29 99.026 -9.219 29.144 1.00 0.00 N ATOM 1293 CA PRO B 29 98.640 -8.264 30.239 1.00 0.00 C ATOM 1294 C PRO B 29 97.624 -8.879 31.219 1.00 0.00 C ATOM 1295 O PRO B 29 96.966 -9.853 30.902 1.00 0.00 O ATOM 1296 CB PRO B 29 98.036 -7.070 29.480 1.00 0.00 C ATOM 1297 CG PRO B 29 97.572 -7.634 28.175 1.00 0.00 C ATOM 1298 CD PRO B 29 98.541 -8.763 27.825 1.00 0.00 C ATOM 0 HA PRO B 29 99.489 -7.988 30.864 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.209 -6.628 30.035 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.775 -6.284 29.329 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.551 -8.009 28.255 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.571 -6.868 27.399 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.043 -9.565 27.281 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.359 -8.410 27.196 1.00 0.00 H new ATOM 1306 N PRO B 30 97.505 -8.322 32.403 1.00 0.00 N ATOM 1307 CA PRO B 30 96.566 -8.838 33.444 1.00 0.00 C ATOM 1308 C PRO B 30 95.133 -8.974 32.911 1.00 0.00 C ATOM 1309 O PRO B 30 94.320 -9.677 33.465 1.00 0.00 O ATOM 1310 CB PRO B 30 96.641 -7.784 34.577 1.00 0.00 C ATOM 1311 CG PRO B 30 97.307 -6.590 33.970 1.00 0.00 C ATOM 1312 CD PRO B 30 98.231 -7.136 32.885 1.00 0.00 C ATOM 0 HA PRO B 30 96.840 -9.839 33.778 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.646 -7.533 34.946 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.210 -8.161 35.427 1.00 0.00 H new ATOM 0 HG2 PRO B 30 96.572 -5.904 33.549 1.00 0.00 H new ATOM 0 HG3 PRO B 30 97.870 -6.033 34.719 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.393 -6.410 32.089 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.212 -7.396 33.283 1.00 0.00 H new ATOM 1320 N VAL B 31 94.822 -8.304 31.843 1.00 0.00 N ATOM 1321 CA VAL B 31 93.443 -8.384 31.300 1.00 0.00 C ATOM 1322 C VAL B 31 93.086 -9.827 30.941 1.00 0.00 C ATOM 1323 O VAL B 31 92.051 -10.328 31.336 1.00 0.00 O ATOM 1324 CB VAL B 31 93.361 -7.487 30.048 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.041 -7.734 29.307 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.433 -6.014 30.484 1.00 0.00 C ATOM 0 H VAL B 31 95.462 -7.704 31.322 1.00 0.00 H new ATOM 0 HA VAL B 31 92.732 -8.043 32.053 1.00 0.00 H new ATOM 0 HB VAL B 31 94.190 -7.722 29.381 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.994 -7.095 28.425 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.985 -8.779 29.002 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.205 -7.503 29.967 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.376 -5.371 29.605 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.601 -5.791 31.152 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.374 -5.834 31.004 1.00 0.00 H new ATOM 1336 N VAL B 32 93.914 -10.506 30.202 1.00 0.00 N ATOM 1337 CA VAL B 32 93.578 -11.912 29.841 1.00 0.00 C ATOM 1338 C VAL B 32 93.653 -12.773 31.103 1.00 0.00 C ATOM 1339 O VAL B 32 92.794 -13.588 31.369 1.00 0.00 O ATOM 1340 CB VAL B 32 94.573 -12.430 28.785 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.370 -13.936 28.547 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.355 -11.680 27.464 1.00 0.00 C ATOM 0 H VAL B 32 94.799 -10.156 29.835 1.00 0.00 H new ATOM 0 HA VAL B 32 92.572 -11.961 29.424 1.00 0.00 H new ATOM 0 HB VAL B 32 95.586 -12.260 29.149 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.081 -14.285 27.798 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.530 -14.477 29.480 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.354 -14.115 28.194 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.059 -12.047 26.717 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.336 -11.847 27.115 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.515 -10.613 27.621 1.00 0.00 H new ATOM 1352 N ALA B 33 94.680 -12.595 31.887 1.00 0.00 N ATOM 1353 CA ALA B 33 94.811 -13.407 33.135 1.00 0.00 C ATOM 1354 C ALA B 33 93.658 -13.090 34.104 1.00 0.00 C ATOM 1355 O ALA B 33 93.088 -13.977 34.715 1.00 0.00 O ATOM 1356 CB ALA B 33 96.155 -13.103 33.800 1.00 0.00 C ATOM 0 H ALA B 33 95.432 -11.926 31.721 1.00 0.00 H new ATOM 0 HA ALA B 33 94.765 -14.465 32.879 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.252 -13.694 34.710 1.00 0.00 H new ATOM 0 HB2 ALA B 33 96.965 -13.355 33.115 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.206 -12.043 34.049 1.00 0.00 H new ATOM 1362 N LYS B 34 93.310 -11.832 34.253 1.00 0.00 N ATOM 1363 CA LYS B 34 92.200 -11.462 35.179 1.00 0.00 C ATOM 1364 C LYS B 34 90.888 -12.070 34.677 1.00 0.00 C ATOM 1365 O LYS B 34 90.070 -12.536 35.448 1.00 0.00 O ATOM 1366 CB LYS B 34 92.088 -9.924 35.233 1.00 0.00 C ATOM 1367 CG LYS B 34 93.304 -9.320 35.972 1.00 0.00 C ATOM 1368 CD LYS B 34 93.106 -9.387 37.484 1.00 0.00 C ATOM 1369 CE LYS B 34 94.293 -8.706 38.174 1.00 0.00 C ATOM 1370 NZ LYS B 34 94.425 -7.302 37.689 1.00 0.00 N ATOM 0 H LYS B 34 93.750 -11.048 33.771 1.00 0.00 H new ATOM 0 HA LYS B 34 92.403 -11.847 36.178 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.033 -9.521 34.222 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.167 -9.638 35.741 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.209 -9.860 35.695 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.444 -8.284 35.664 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.175 -8.894 37.764 1.00 0.00 H new ATOM 0 HD3 LYS B 34 93.027 -10.425 37.808 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.151 -8.715 39.255 1.00 0.00 H new ATOM 0 HE3 LYS B 34 95.210 -9.259 37.969 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.619 -6.673 38.494 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 95.208 -7.243 37.007 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.540 -7.010 37.227 1.00 0.00 H new ATOM 1384 N GLU B 35 90.672 -12.057 33.395 1.00 0.00 N ATOM 1385 CA GLU B 35 89.409 -12.630 32.850 1.00 0.00 C ATOM 1386 C GLU B 35 89.310 -14.111 33.210 1.00 0.00 C ATOM 1387 O GLU B 35 88.259 -14.596 33.573 1.00 0.00 O ATOM 1388 CB GLU B 35 89.382 -12.474 31.330 1.00 0.00 C ATOM 1389 CG GLU B 35 88.019 -12.938 30.781 1.00 0.00 C ATOM 1390 CD GLU B 35 87.988 -14.464 30.697 1.00 0.00 C ATOM 1391 OE1 GLU B 35 89.005 -15.042 30.350 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.947 -15.026 30.987 1.00 0.00 O ATOM 0 H GLU B 35 91.313 -11.675 32.699 1.00 0.00 H new ATOM 0 HA GLU B 35 88.564 -12.096 33.284 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.558 -11.433 31.059 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.184 -13.060 30.881 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.216 -12.584 31.428 1.00 0.00 H new ATOM 0 HG3 GLU B 35 87.848 -12.507 29.795 1.00 0.00 H new ATOM 1399 N ILE B 36 90.396 -14.835 33.121 1.00 0.00 N ATOM 1400 CA ILE B 36 90.357 -16.279 33.475 1.00 0.00 C ATOM 1401 C ILE B 36 90.045 -16.398 34.967 1.00 0.00 C ATOM 1402 O ILE B 36 89.279 -17.241 35.390 1.00 0.00 O ATOM 1403 CB ILE B 36 91.713 -16.921 33.159 1.00 0.00 C ATOM 1404 CG1 ILE B 36 91.891 -17.000 31.642 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.787 -18.326 33.751 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.352 -17.308 31.301 1.00 0.00 C ATOM 0 H ILE B 36 91.305 -14.486 32.819 1.00 0.00 H new ATOM 0 HA ILE B 36 89.590 -16.794 32.897 1.00 0.00 H new ATOM 0 HB ILE B 36 92.504 -16.312 33.597 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.242 -17.774 31.231 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.593 -16.057 31.183 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.756 -18.768 33.518 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.663 -18.272 34.833 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.995 -18.942 33.326 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.469 -17.362 30.219 1.00 0.00 H new ATOM 0 HD12 ILE B 36 93.992 -16.519 31.696 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.636 -18.262 31.745 1.00 0.00 H new ATOM 1418 N VAL B 37 90.625 -15.546 35.764 1.00 0.00 N ATOM 1419 CA VAL B 37 90.365 -15.593 37.225 1.00 0.00 C ATOM 1420 C VAL B 37 88.891 -15.279 37.482 1.00 0.00 C ATOM 1421 O VAL B 37 88.257 -15.882 38.323 1.00 0.00 O ATOM 1422 CB VAL B 37 91.256 -14.568 37.932 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.828 -14.429 39.398 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.708 -15.048 37.865 1.00 0.00 C ATOM 0 H VAL B 37 91.271 -14.816 35.463 1.00 0.00 H new ATOM 0 HA VAL B 37 90.592 -16.586 37.613 1.00 0.00 H new ATOM 0 HB VAL B 37 91.161 -13.599 37.443 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.466 -13.698 39.896 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.791 -14.097 39.444 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.923 -15.393 39.898 1.00 0.00 H new ATOM 0 HG21 VAL B 37 93.353 -14.326 38.365 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.794 -16.016 38.359 1.00 0.00 H new ATOM 0 HG23 VAL B 37 93.012 -15.145 36.823 1.00 0.00 H new ATOM 1434 N ALA B 38 88.351 -14.341 36.767 1.00 0.00 N ATOM 1435 CA ALA B 38 86.916 -13.970 36.961 1.00 0.00 C ATOM 1436 C ALA B 38 86.000 -15.101 36.454 1.00 0.00 C ATOM 1437 O ALA B 38 84.897 -15.291 36.933 1.00 0.00 O ATOM 1438 CB ALA B 38 86.629 -12.689 36.184 1.00 0.00 C ATOM 0 H ALA B 38 88.840 -13.807 36.049 1.00 0.00 H new ATOM 0 HA ALA B 38 86.721 -13.814 38.022 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.584 -12.408 36.318 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.270 -11.888 36.553 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.827 -12.854 35.125 1.00 0.00 H new ATOM 1444 N SER B 39 86.441 -15.842 35.475 1.00 0.00 N ATOM 1445 CA SER B 39 85.596 -16.947 34.930 1.00 0.00 C ATOM 1446 C SER B 39 85.517 -18.072 35.958 1.00 0.00 C ATOM 1447 O SER B 39 84.484 -18.678 36.147 1.00 0.00 O ATOM 1448 CB SER B 39 86.220 -17.483 33.645 1.00 0.00 C ATOM 1449 OG SER B 39 86.144 -16.487 32.641 1.00 0.00 O ATOM 0 H SER B 39 87.351 -15.731 35.027 1.00 0.00 H new ATOM 0 HA SER B 39 84.596 -16.569 34.717 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.259 -17.762 33.820 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.698 -18.384 33.321 1.00 0.00 H new ATOM 0 HG SER B 39 87.040 -16.311 32.286 1.00 0.00 H new ATOM 1455 N CYS B 40 86.595 -18.357 36.631 1.00 0.00 N ATOM 1456 CA CYS B 40 86.560 -19.441 37.651 1.00 0.00 C ATOM 1457 C CYS B 40 85.762 -18.962 38.868 1.00 0.00 C ATOM 1458 O CYS B 40 86.160 -18.058 39.577 1.00 0.00 O ATOM 1459 CB CYS B 40 87.986 -19.792 38.092 1.00 0.00 C ATOM 1460 SG CYS B 40 87.997 -21.389 38.951 1.00 0.00 S ATOM 0 H CYS B 40 87.495 -17.889 36.520 1.00 0.00 H new ATOM 0 HA CYS B 40 86.089 -20.324 37.219 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.644 -19.833 37.224 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.374 -19.014 38.750 1.00 0.00 H new ATOM 0 HG CYS B 40 89.225 -21.777 39.130 1.00 0.00 H new ATOM 1465 N ASP B 41 84.636 -19.572 39.107 1.00 0.00 N ATOM 1466 CA ASP B 41 83.799 -19.184 40.271 1.00 0.00 C ATOM 1467 C ASP B 41 84.595 -19.379 41.561 1.00 0.00 C ATOM 1468 O ASP B 41 84.515 -18.581 42.469 1.00 0.00 O ATOM 1469 CB ASP B 41 82.523 -20.039 40.303 1.00 0.00 C ATOM 1470 CG ASP B 41 81.604 -19.640 39.148 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.824 -20.118 38.051 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.697 -18.857 39.386 1.00 0.00 O ATOM 0 H ASP B 41 84.258 -20.330 38.539 1.00 0.00 H new ATOM 0 HA ASP B 41 83.517 -18.135 40.181 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.780 -21.096 40.227 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.007 -19.904 41.254 1.00 0.00 H new ATOM 1477 N LYS B 42 85.351 -20.441 41.662 1.00 0.00 N ATOM 1478 CA LYS B 42 86.132 -20.677 42.913 1.00 0.00 C ATOM 1479 C LYS B 42 87.119 -19.542 43.170 1.00 0.00 C ATOM 1480 O LYS B 42 87.312 -19.127 44.293 1.00 0.00 O ATOM 1481 CB LYS B 42 86.896 -21.999 42.800 1.00 0.00 C ATOM 1482 CG LYS B 42 85.904 -23.169 42.850 1.00 0.00 C ATOM 1483 CD LYS B 42 86.656 -24.497 42.730 1.00 0.00 C ATOM 1484 CE LYS B 42 85.650 -25.656 42.757 1.00 0.00 C ATOM 1485 NZ LYS B 42 86.354 -26.941 42.481 1.00 0.00 N ATOM 0 H LYS B 42 85.461 -21.151 40.938 1.00 0.00 H new ATOM 0 HA LYS B 42 85.432 -20.720 43.748 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.461 -22.027 41.868 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.618 -22.085 43.612 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.344 -23.142 43.784 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.179 -23.077 42.041 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.230 -24.520 41.804 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.368 -24.600 43.549 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.159 -25.701 43.729 1.00 0.00 H new ATOM 0 HE3 LYS B 42 84.870 -25.491 42.013 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 85.669 -27.723 42.500 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 86.803 -26.897 41.544 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 87.082 -27.101 43.206 1.00 0.00 H new ATOM 1499 N CYS B 43 87.760 -19.040 42.152 1.00 0.00 N ATOM 1500 CA CYS B 43 88.741 -17.935 42.379 1.00 0.00 C ATOM 1501 C CYS B 43 87.999 -16.607 42.572 1.00 0.00 C ATOM 1502 O CYS B 43 88.429 -15.741 43.312 1.00 0.00 O ATOM 1503 CB CYS B 43 89.666 -17.801 41.173 1.00 0.00 C ATOM 1504 SG CYS B 43 90.460 -19.386 40.831 1.00 0.00 S ATOM 0 H CYS B 43 87.652 -19.340 41.183 1.00 0.00 H new ATOM 0 HA CYS B 43 89.324 -18.169 43.270 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.098 -17.473 40.302 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.422 -17.040 41.366 1.00 0.00 H new ATOM 0 HG CYS B 43 89.649 -20.139 40.149 1.00 0.00 H new ATOM 1509 N GLN B 44 86.905 -16.426 41.882 1.00 0.00 N ATOM 1510 CA GLN B 44 86.148 -15.142 41.990 1.00 0.00 C ATOM 1511 C GLN B 44 85.358 -15.097 43.304 1.00 0.00 C ATOM 1512 O GLN B 44 85.673 -14.341 44.205 1.00 0.00 O ATOM 1513 CB GLN B 44 85.174 -15.047 40.815 1.00 0.00 C ATOM 1514 CG GLN B 44 84.433 -13.708 40.863 1.00 0.00 C ATOM 1515 CD GLN B 44 83.463 -13.643 39.683 1.00 0.00 C ATOM 1516 OE1 GLN B 44 82.267 -13.681 39.873 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.930 -13.562 38.465 1.00 0.00 N ATOM 0 H GLN B 44 86.501 -17.113 41.246 1.00 0.00 H new ATOM 0 HA GLN B 44 86.849 -14.308 41.973 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.715 -15.140 39.874 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.460 -15.870 40.855 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.891 -13.609 41.804 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.142 -12.882 40.815 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.937 -13.530 38.306 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.287 -13.531 37.673 1.00 0.00 H new