USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=23 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= -3.02! C(o=-5!,f=-8.6!) USER MOD Set 1.2: B 16 HIS : no HD1:sc= -1.42 K(o=-5,f=-6.4!) USER MOD Set 1.3: B 40 CYS SG : rot 150:sc= 1.02 USER MOD Set 1.4: B 43 CYS SG : rot 83:sc= -1.57 USER MOD Set 2.1: A 12 HIS : no HE2:sc= -3.39! C(o=-5.1!,f=-8.5!) USER MOD Set 2.2: A 16 HIS : no HD1:sc= -1.36 K(o=-5.1,f=-6.6!) USER MOD Set 2.3: A 40 CYS SG : rot 150:sc= 1.06 USER MOD Set 2.4: A 43 CYS SG : rot 84:sc= -1.44 USER MOD Single : A 1 PHE N :NH3+ 166:sc= 0.721 (180deg=0.438) USER MOD Single : A 7 LYS NZ :NH3+ 150:sc= -0.256 (180deg=-1.19!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -161:sc= -0.0623 (180deg=-0.414) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -74:sc= 0.901 USER MOD Single : A 18 ASN : amide:sc=-0.00319 K(o=-0.0032,f=-1.7!) USER MOD Single : A 22 MET CE :methyl 157:sc= -0.123 (180deg=-1.32) USER MOD Single : A 24 SER OG : rot 81:sc= 0.114 USER MOD Single : A 27 ASN : amide:sc= -0.0407 X(o=-0.041,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 62:sc= 0.331! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -1.67 K(o=-1.7,f=-3.4!) USER MOD Single : B 1 PHE N :NH3+ 167:sc= 0.73 (180deg=0.478) USER MOD Single : B 7 LYS NZ :NH3+ 150:sc= -0.233 (180deg=-1.08!) USER MOD Single : B 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 LYS NZ :NH3+ -163:sc= -0.0295 (180deg=-0.388) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -46:sc= 0.911 USER MOD Single : B 18 ASN : amide:sc= -0.0223 K(o=-0.022,f=-1.6!) USER MOD Single : B 22 MET CE :methyl 161:sc= -0.114 (180deg=-1.24) USER MOD Single : B 24 SER OG : rot 81:sc= 0.0984 USER MOD Single : B 27 ASN : amide:sc= -0.0343 X(o=-0.034,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 67:sc= 0.208! USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 GLN :FLIP amide:sc= -1.92 F(o=-3.4!,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.685 -3.442 24.176 1.00 0.00 N ATOM 2 CA PHE A 1 94.332 -4.091 25.471 1.00 0.00 C ATOM 3 C PHE A 1 93.913 -3.030 26.493 1.00 0.00 C ATOM 4 O PHE A 1 92.751 -2.705 26.632 1.00 0.00 O ATOM 5 CB PHE A 1 95.545 -4.854 26.011 1.00 0.00 C ATOM 6 CG PHE A 1 95.778 -6.100 25.187 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.374 -6.004 23.925 1.00 0.00 C ATOM 8 CD2 PHE A 1 95.405 -7.353 25.690 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.597 -7.159 23.165 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.625 -8.508 24.930 1.00 0.00 C ATOM 11 CZ PHE A 1 96.223 -8.410 23.668 1.00 0.00 C ATOM 0 H1 PHE A 1 95.187 -4.123 23.572 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.817 -3.129 23.697 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.297 -2.621 24.355 1.00 0.00 H new ATOM 0 HA PHE A 1 93.505 -4.781 25.305 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.429 -4.217 25.981 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.381 -5.123 27.055 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.662 -5.038 23.537 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.947 -7.428 26.665 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.058 -7.084 22.191 1.00 0.00 H new ATOM 0 HE2 PHE A 1 95.334 -9.473 25.317 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.396 -9.301 23.082 1.00 0.00 H new ATOM 23 N LEU A 2 94.856 -2.510 27.228 1.00 0.00 N ATOM 24 CA LEU A 2 94.530 -1.491 28.268 1.00 0.00 C ATOM 25 C LEU A 2 93.892 -0.253 27.626 1.00 0.00 C ATOM 26 O LEU A 2 92.972 0.329 28.166 1.00 0.00 O ATOM 27 CB LEU A 2 95.822 -1.081 28.979 1.00 0.00 C ATOM 28 CG LEU A 2 96.474 -2.309 29.639 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.880 -1.942 30.124 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.638 -2.790 30.837 1.00 0.00 C ATOM 0 H LEU A 2 95.845 -2.748 27.153 1.00 0.00 H new ATOM 0 HA LEU A 2 93.824 -1.919 28.979 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.513 -0.632 28.265 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.607 -0.324 29.733 1.00 0.00 H new ATOM 0 HG LEU A 2 96.529 -3.110 28.902 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.342 -2.811 30.592 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.485 -1.621 29.276 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.814 -1.132 30.850 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.116 -3.659 31.289 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.566 -1.991 31.575 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.639 -3.062 30.497 1.00 0.00 H new ATOM 42 N ASP A 3 94.377 0.166 26.489 1.00 0.00 N ATOM 43 CA ASP A 3 93.798 1.379 25.838 1.00 0.00 C ATOM 44 C ASP A 3 92.350 1.123 25.417 1.00 0.00 C ATOM 45 O ASP A 3 91.495 1.974 25.559 1.00 0.00 O ATOM 46 CB ASP A 3 94.621 1.731 24.604 1.00 0.00 C ATOM 47 CG ASP A 3 95.986 2.269 25.038 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.041 2.934 26.060 1.00 0.00 O ATOM 49 OD2 ASP A 3 96.954 2.008 24.341 1.00 0.00 O ATOM 0 H ASP A 3 95.145 -0.275 25.984 1.00 0.00 H new ATOM 0 HA ASP A 3 93.819 2.203 26.552 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.749 0.850 23.975 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.098 2.477 24.005 1.00 0.00 H new ATOM 54 N GLY A 4 92.061 -0.041 24.911 1.00 0.00 N ATOM 55 CA GLY A 4 90.662 -0.338 24.497 1.00 0.00 C ATOM 56 C GLY A 4 89.768 -0.272 25.730 1.00 0.00 C ATOM 57 O GLY A 4 88.636 0.167 25.674 1.00 0.00 O ATOM 0 H GLY A 4 92.729 -0.798 24.766 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.328 0.380 23.748 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.604 -1.326 24.040 1.00 0.00 H new ATOM 61 N ILE A 5 90.274 -0.714 26.846 1.00 0.00 N ATOM 62 CA ILE A 5 89.471 -0.691 28.098 1.00 0.00 C ATOM 63 C ILE A 5 89.232 0.754 28.548 1.00 0.00 C ATOM 64 O ILE A 5 88.162 1.097 29.009 1.00 0.00 O ATOM 65 CB ILE A 5 90.230 -1.456 29.186 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.223 -2.951 28.845 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.564 -1.224 30.545 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.141 -3.709 29.809 1.00 0.00 C ATOM 0 H ILE A 5 91.216 -1.093 26.945 1.00 0.00 H new ATOM 0 HA ILE A 5 88.504 -1.162 27.919 1.00 0.00 H new ATOM 0 HB ILE A 5 91.259 -1.100 29.236 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.208 -3.343 28.911 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.556 -3.100 27.818 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.108 -1.771 31.315 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.576 -0.159 30.779 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.533 -1.576 30.510 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.132 -4.770 29.561 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.157 -3.325 29.721 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.788 -3.572 30.831 1.00 0.00 H new ATOM 80 N ASP A 6 90.216 1.599 28.435 1.00 0.00 N ATOM 81 CA ASP A 6 90.024 3.010 28.874 1.00 0.00 C ATOM 82 C ASP A 6 88.907 3.648 28.053 1.00 0.00 C ATOM 83 O ASP A 6 88.036 4.309 28.581 1.00 0.00 O ATOM 84 CB ASP A 6 91.322 3.792 28.677 1.00 0.00 C ATOM 85 CG ASP A 6 92.365 3.308 29.686 1.00 0.00 C ATOM 86 OD1 ASP A 6 91.976 2.967 30.792 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.534 3.288 29.339 1.00 0.00 O ATOM 0 H ASP A 6 91.139 1.378 28.061 1.00 0.00 H new ATOM 0 HA ASP A 6 89.754 3.029 29.930 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.692 3.654 27.661 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.140 4.859 28.808 1.00 0.00 H new ATOM 92 N LYS A 7 88.909 3.441 26.765 1.00 0.00 N ATOM 93 CA LYS A 7 87.830 4.019 25.920 1.00 0.00 C ATOM 94 C LYS A 7 86.524 3.290 26.235 1.00 0.00 C ATOM 95 O LYS A 7 85.467 3.882 26.313 1.00 0.00 O ATOM 96 CB LYS A 7 88.172 3.821 24.439 1.00 0.00 C ATOM 97 CG LYS A 7 89.498 4.515 24.090 1.00 0.00 C ATOM 98 CD LYS A 7 89.330 6.040 24.111 1.00 0.00 C ATOM 99 CE LYS A 7 90.522 6.690 23.402 1.00 0.00 C ATOM 100 NZ LYS A 7 90.560 6.246 21.981 1.00 0.00 N ATOM 0 H LYS A 7 89.611 2.897 26.263 1.00 0.00 H new ATOM 0 HA LYS A 7 87.729 5.085 26.126 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.243 2.756 24.216 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.371 4.223 23.819 1.00 0.00 H new ATOM 0 HG2 LYS A 7 90.268 4.219 24.802 1.00 0.00 H new ATOM 0 HG3 LYS A 7 89.834 4.194 23.104 1.00 0.00 H new ATOM 0 HD2 LYS A 7 88.400 6.322 23.617 1.00 0.00 H new ATOM 0 HD3 LYS A 7 89.265 6.396 25.139 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.440 7.776 23.452 1.00 0.00 H new ATOM 0 HE3 LYS A 7 91.450 6.417 23.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 90.980 6.995 21.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 91.134 5.382 21.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 89.593 6.050 21.652 1.00 0.00 H new ATOM 114 N ALA A 8 86.599 2.000 26.418 1.00 0.00 N ATOM 115 CA ALA A 8 85.377 1.207 26.734 1.00 0.00 C ATOM 116 C ALA A 8 84.891 1.540 28.146 1.00 0.00 C ATOM 117 O ALA A 8 83.716 1.459 28.445 1.00 0.00 O ATOM 118 CB ALA A 8 85.707 -0.283 26.650 1.00 0.00 C ATOM 0 H ALA A 8 87.461 1.457 26.362 1.00 0.00 H new ATOM 0 HA ALA A 8 84.593 1.453 26.018 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.816 -0.867 26.881 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.048 -0.524 25.643 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.493 -0.523 27.366 1.00 0.00 H new ATOM 124 N GLN A 9 85.788 1.895 29.023 1.00 0.00 N ATOM 125 CA GLN A 9 85.383 2.209 30.423 1.00 0.00 C ATOM 126 C GLN A 9 84.417 3.396 30.435 1.00 0.00 C ATOM 127 O GLN A 9 84.573 4.349 29.698 1.00 0.00 O ATOM 128 CB GLN A 9 86.623 2.551 31.250 1.00 0.00 C ATOM 129 CG GLN A 9 86.236 2.628 32.727 1.00 0.00 C ATOM 130 CD GLN A 9 87.484 2.902 33.565 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.149 1.983 34.000 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.834 4.135 33.813 1.00 0.00 N ATOM 0 H GLN A 9 86.786 1.982 28.831 1.00 0.00 H new ATOM 0 HA GLN A 9 84.886 1.340 30.853 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.393 1.794 31.102 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.043 3.502 30.922 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.501 3.418 32.881 1.00 0.00 H new ATOM 0 HG3 GLN A 9 85.771 1.694 33.042 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.276 4.907 33.448 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.666 4.327 34.372 1.00 0.00 H new ATOM 141 N GLU A 10 83.412 3.334 31.269 1.00 0.00 N ATOM 142 CA GLU A 10 82.419 4.441 31.340 1.00 0.00 C ATOM 143 C GLU A 10 81.554 4.246 32.593 1.00 0.00 C ATOM 144 O GLU A 10 81.586 3.206 33.222 1.00 0.00 O ATOM 145 CB GLU A 10 81.547 4.418 30.076 1.00 0.00 C ATOM 146 CG GLU A 10 80.600 5.623 30.061 1.00 0.00 C ATOM 147 CD GLU A 10 79.906 5.709 28.701 1.00 0.00 C ATOM 148 OE1 GLU A 10 78.990 4.935 28.478 1.00 0.00 O ATOM 149 OE2 GLU A 10 80.300 6.547 27.907 1.00 0.00 O ATOM 0 H GLU A 10 83.237 2.558 31.907 1.00 0.00 H new ATOM 0 HA GLU A 10 82.924 5.405 31.399 1.00 0.00 H new ATOM 0 HB2 GLU A 10 82.180 4.433 29.189 1.00 0.00 H new ATOM 0 HB3 GLU A 10 80.971 3.493 30.040 1.00 0.00 H new ATOM 0 HG2 GLU A 10 79.859 5.526 30.854 1.00 0.00 H new ATOM 0 HG3 GLU A 10 81.157 6.539 30.256 1.00 0.00 H new ATOM 156 N GLU A 11 80.803 5.241 32.975 1.00 0.00 N ATOM 157 CA GLU A 11 79.957 5.126 34.198 1.00 0.00 C ATOM 158 C GLU A 11 79.116 3.846 34.142 1.00 0.00 C ATOM 159 O GLU A 11 78.744 3.377 33.083 1.00 0.00 O ATOM 160 CB GLU A 11 79.035 6.345 34.284 1.00 0.00 C ATOM 161 CG GLU A 11 79.872 7.592 34.585 1.00 0.00 C ATOM 162 CD GLU A 11 78.986 8.836 34.511 1.00 0.00 C ATOM 163 OE1 GLU A 11 78.744 9.301 33.409 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.568 9.306 35.556 1.00 0.00 O ATOM 0 H GLU A 11 80.738 6.136 32.490 1.00 0.00 H new ATOM 0 HA GLU A 11 80.599 5.084 35.078 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.494 6.473 33.346 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.289 6.197 35.064 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.320 7.511 35.575 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.691 7.674 33.870 1.00 0.00 H new ATOM 171 N HIS A 12 78.827 3.272 35.283 1.00 0.00 N ATOM 172 CA HIS A 12 78.025 2.012 35.319 1.00 0.00 C ATOM 173 C HIS A 12 76.623 2.271 34.767 1.00 0.00 C ATOM 174 O HIS A 12 75.650 2.300 35.495 1.00 0.00 O ATOM 175 CB HIS A 12 77.920 1.525 36.768 1.00 0.00 C ATOM 176 CG HIS A 12 76.990 0.342 36.852 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.408 -0.958 36.593 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.664 0.246 37.197 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.350 -1.773 36.792 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.268 -1.086 37.160 1.00 0.00 N ATOM 0 H HIS A 12 79.114 3.625 36.196 1.00 0.00 H new ATOM 0 HA HIS A 12 78.515 1.254 34.708 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.907 1.248 37.139 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.554 2.331 37.405 1.00 0.00 H new ATOM 0 HD1 HIS A 12 78.344 -1.244 36.305 1.00 0.00 H new ATOM 0 HD2 HIS A 12 75.027 1.078 37.457 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.377 -2.846 36.669 1.00 0.00 H new ATOM 188 N GLU A 13 76.515 2.450 33.483 1.00 0.00 N ATOM 189 CA GLU A 13 75.181 2.695 32.866 1.00 0.00 C ATOM 190 C GLU A 13 74.541 1.356 32.500 1.00 0.00 C ATOM 191 O GLU A 13 74.999 0.304 32.901 1.00 0.00 O ATOM 192 CB GLU A 13 75.361 3.526 31.599 1.00 0.00 C ATOM 193 CG GLU A 13 75.823 4.935 31.970 1.00 0.00 C ATOM 194 CD GLU A 13 76.008 5.763 30.698 1.00 0.00 C ATOM 195 OE1 GLU A 13 75.820 5.216 29.624 1.00 0.00 O ATOM 196 OE2 GLU A 13 76.339 6.931 30.819 1.00 0.00 O ATOM 0 H GLU A 13 77.297 2.437 32.829 1.00 0.00 H new ATOM 0 HA GLU A 13 74.542 3.228 33.570 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.092 3.054 30.943 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.422 3.574 31.047 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.090 5.410 32.622 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.760 4.888 32.525 1.00 0.00 H new ATOM 203 N LYS A 14 73.490 1.389 31.731 1.00 0.00 N ATOM 204 CA LYS A 14 72.819 0.124 31.322 1.00 0.00 C ATOM 205 C LYS A 14 73.721 -0.638 30.343 1.00 0.00 C ATOM 206 O LYS A 14 73.626 -1.841 30.206 1.00 0.00 O ATOM 207 CB LYS A 14 71.482 0.447 30.649 1.00 0.00 C ATOM 208 CG LYS A 14 70.498 0.977 31.696 1.00 0.00 C ATOM 209 CD LYS A 14 69.161 1.302 31.026 1.00 0.00 C ATOM 210 CE LYS A 14 68.178 1.832 32.073 1.00 0.00 C ATOM 211 NZ LYS A 14 67.856 0.750 33.049 1.00 0.00 N ATOM 0 H LYS A 14 73.065 2.241 31.366 1.00 0.00 H new ATOM 0 HA LYS A 14 72.638 -0.493 32.202 1.00 0.00 H new ATOM 0 HB2 LYS A 14 71.628 1.188 29.863 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.077 -0.446 30.173 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.352 0.235 32.481 1.00 0.00 H new ATOM 0 HG3 LYS A 14 70.904 1.869 32.172 1.00 0.00 H new ATOM 0 HD2 LYS A 14 69.307 2.044 30.241 1.00 0.00 H new ATOM 0 HD3 LYS A 14 68.755 0.410 30.550 1.00 0.00 H new ATOM 0 HE2 LYS A 14 68.610 2.687 32.592 1.00 0.00 H new ATOM 0 HE3 LYS A 14 67.267 2.181 31.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 66.976 0.985 33.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 67.736 -0.150 32.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 68.632 0.660 33.736 1.00 0.00 H new ATOM 225 N TYR A 15 74.586 0.056 29.656 1.00 0.00 N ATOM 226 CA TYR A 15 75.485 -0.622 28.676 1.00 0.00 C ATOM 227 C TYR A 15 76.352 -1.665 29.389 1.00 0.00 C ATOM 228 O TYR A 15 76.691 -2.682 28.817 1.00 0.00 O ATOM 229 CB TYR A 15 76.375 0.418 27.975 1.00 0.00 C ATOM 230 CG TYR A 15 75.582 1.097 26.881 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.709 2.145 27.194 1.00 0.00 C ATOM 232 CD2 TYR A 15 75.707 0.662 25.555 1.00 0.00 C ATOM 233 CE1 TYR A 15 73.964 2.762 26.182 1.00 0.00 C ATOM 234 CE2 TYR A 15 74.964 1.279 24.542 1.00 0.00 C ATOM 235 CZ TYR A 15 74.091 2.328 24.854 1.00 0.00 C ATOM 236 OH TYR A 15 73.357 2.934 23.854 1.00 0.00 O ATOM 0 H TYR A 15 74.710 1.066 29.730 1.00 0.00 H new ATOM 0 HA TYR A 15 74.875 -1.128 27.927 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.729 1.156 28.695 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.257 -0.065 27.555 1.00 0.00 H new ATOM 0 HD1 TYR A 15 74.610 2.478 28.217 1.00 0.00 H new ATOM 0 HD2 TYR A 15 76.377 -0.150 25.314 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.292 3.572 26.424 1.00 0.00 H new ATOM 0 HE2 TYR A 15 75.064 0.946 23.520 1.00 0.00 H new ATOM 0 HH TYR A 15 73.566 2.513 22.994 1.00 0.00 H new ATOM 246 N HIS A 16 76.716 -1.444 30.623 1.00 0.00 N ATOM 247 CA HIS A 16 77.557 -2.461 31.318 1.00 0.00 C ATOM 248 C HIS A 16 76.797 -3.790 31.365 1.00 0.00 C ATOM 249 O HIS A 16 77.368 -4.847 31.175 1.00 0.00 O ATOM 250 CB HIS A 16 77.859 -2.007 32.756 1.00 0.00 C ATOM 251 CG HIS A 16 78.993 -1.016 32.766 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.680 -0.690 33.931 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.585 -0.287 31.765 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.637 0.198 33.603 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.620 0.476 32.297 1.00 0.00 N ATOM 0 H HIS A 16 76.473 -0.619 31.172 1.00 0.00 H new ATOM 0 HA HIS A 16 78.495 -2.580 30.775 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.970 -1.556 33.196 1.00 0.00 H new ATOM 0 HB3 HIS A 16 78.116 -2.870 33.370 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.293 -0.303 30.725 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.331 0.631 34.308 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.237 1.114 31.794 1.00 0.00 H new ATOM 263 N SER A 17 75.516 -3.751 31.605 1.00 0.00 N ATOM 264 CA SER A 17 74.739 -5.020 31.648 1.00 0.00 C ATOM 265 C SER A 17 74.823 -5.698 30.281 1.00 0.00 C ATOM 266 O SER A 17 74.974 -6.899 30.179 1.00 0.00 O ATOM 267 CB SER A 17 73.277 -4.716 31.973 1.00 0.00 C ATOM 268 OG SER A 17 72.701 -3.993 30.892 1.00 0.00 O ATOM 0 H SER A 17 74.977 -2.901 31.772 1.00 0.00 H new ATOM 0 HA SER A 17 75.149 -5.676 32.416 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.728 -5.643 32.140 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.209 -4.135 32.893 1.00 0.00 H new ATOM 0 HG SER A 17 73.027 -3.069 30.906 1.00 0.00 H new ATOM 274 N ASN A 18 74.740 -4.930 29.225 1.00 0.00 N ATOM 275 CA ASN A 18 74.829 -5.519 27.856 1.00 0.00 C ATOM 276 C ASN A 18 76.286 -5.477 27.392 1.00 0.00 C ATOM 277 O ASN A 18 76.696 -4.581 26.681 1.00 0.00 O ATOM 278 CB ASN A 18 73.967 -4.696 26.896 1.00 0.00 C ATOM 279 CG ASN A 18 72.488 -4.905 27.229 1.00 0.00 C ATOM 280 OD1 ASN A 18 72.124 -5.881 27.855 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.614 -4.019 26.836 1.00 0.00 N ATOM 0 H ASN A 18 74.614 -3.918 29.252 1.00 0.00 H new ATOM 0 HA ASN A 18 74.475 -6.550 27.871 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.223 -3.639 26.976 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.164 -4.995 25.866 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.626 -4.146 27.054 1.00 0.00 H new ATOM 0 HD22 ASN A 18 71.919 -3.200 26.311 1.00 0.00 H new ATOM 288 N TRP A 19 77.074 -6.435 27.790 1.00 0.00 N ATOM 289 CA TRP A 19 78.504 -6.442 27.375 1.00 0.00 C ATOM 290 C TRP A 19 78.606 -6.749 25.880 1.00 0.00 C ATOM 291 O TRP A 19 79.554 -6.370 25.221 1.00 0.00 O ATOM 292 CB TRP A 19 79.279 -7.493 28.178 1.00 0.00 C ATOM 293 CG TRP A 19 78.801 -8.865 27.828 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.910 -9.582 28.548 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.175 -9.698 26.691 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.715 -10.805 27.930 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.472 -10.923 26.781 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.047 -9.513 25.603 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.630 -11.930 25.826 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.207 -10.523 24.639 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.501 -11.730 24.752 1.00 0.00 C ATOM 0 H TRP A 19 76.790 -7.214 28.385 1.00 0.00 H new ATOM 0 HA TRP A 19 78.936 -5.460 27.570 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.345 -7.407 27.969 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.148 -7.315 29.245 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.429 -9.254 29.457 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.089 -11.530 28.280 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.597 -8.589 25.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.083 -12.857 25.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.877 -10.369 23.806 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.631 -12.504 24.010 1.00 0.00 H new ATOM 312 N ARG A 20 77.647 -7.449 25.343 1.00 0.00 N ATOM 313 CA ARG A 20 77.699 -7.799 23.893 1.00 0.00 C ATOM 314 C ARG A 20 77.712 -6.526 23.039 1.00 0.00 C ATOM 315 O ARG A 20 78.425 -6.436 22.058 1.00 0.00 O ATOM 316 CB ARG A 20 76.458 -8.621 23.532 1.00 0.00 C ATOM 317 CG ARG A 20 76.547 -10.001 24.181 1.00 0.00 C ATOM 318 CD ARG A 20 75.307 -10.821 23.819 1.00 0.00 C ATOM 319 NE ARG A 20 75.342 -12.119 24.554 1.00 0.00 N ATOM 320 CZ ARG A 20 74.274 -12.870 24.610 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.179 -12.492 24.012 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.306 -14.002 25.262 1.00 0.00 N ATOM 0 H ARG A 20 76.828 -7.795 25.844 1.00 0.00 H new ATOM 0 HA ARG A 20 78.606 -8.372 23.699 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.558 -8.107 23.870 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.379 -8.722 22.450 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.447 -10.515 23.843 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.625 -9.900 25.264 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.404 -10.268 24.077 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.276 -10.999 22.744 1.00 0.00 H new ATOM 0 HE ARG A 20 76.201 -12.421 25.014 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.156 -11.610 23.500 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.346 -13.078 24.056 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.164 -14.299 25.727 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.473 -14.589 25.306 1.00 0.00 H new ATOM 336 N ALA A 21 76.930 -5.547 23.397 1.00 0.00 N ATOM 337 CA ALA A 21 76.899 -4.291 22.594 1.00 0.00 C ATOM 338 C ALA A 21 78.272 -3.623 22.629 1.00 0.00 C ATOM 339 O ALA A 21 78.760 -3.132 21.630 1.00 0.00 O ATOM 340 CB ALA A 21 75.853 -3.335 23.176 1.00 0.00 C ATOM 0 H ALA A 21 76.312 -5.561 24.208 1.00 0.00 H new ATOM 0 HA ALA A 21 76.639 -4.531 21.563 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.832 -2.417 22.588 1.00 0.00 H new ATOM 0 HB2 ALA A 21 74.871 -3.808 23.146 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.111 -3.098 24.208 1.00 0.00 H new ATOM 346 N MET A 22 78.901 -3.598 23.773 1.00 0.00 N ATOM 347 CA MET A 22 80.241 -2.957 23.869 1.00 0.00 C ATOM 348 C MET A 22 81.248 -3.745 23.033 1.00 0.00 C ATOM 349 O MET A 22 82.080 -3.183 22.350 1.00 0.00 O ATOM 350 CB MET A 22 80.679 -2.937 25.336 1.00 0.00 C ATOM 351 CG MET A 22 82.044 -2.259 25.458 1.00 0.00 C ATOM 352 SD MET A 22 82.402 -1.941 27.204 1.00 0.00 S ATOM 353 CE MET A 22 82.365 -3.658 27.771 1.00 0.00 C ATOM 0 H MET A 22 78.544 -3.993 24.643 1.00 0.00 H new ATOM 0 HA MET A 22 80.192 -1.936 23.490 1.00 0.00 H new ATOM 0 HB2 MET A 22 79.943 -2.404 25.938 1.00 0.00 H new ATOM 0 HB3 MET A 22 80.732 -3.954 25.724 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.818 -2.894 25.026 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.050 -1.324 24.898 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.942 -3.750 28.691 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.334 -3.957 27.958 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.797 -4.303 27.006 1.00 0.00 H new ATOM 363 N ALA A 23 81.176 -5.044 23.070 1.00 0.00 N ATOM 364 CA ALA A 23 82.125 -5.863 22.267 1.00 0.00 C ATOM 365 C ALA A 23 81.888 -5.602 20.780 1.00 0.00 C ATOM 366 O ALA A 23 82.815 -5.473 20.004 1.00 0.00 O ATOM 367 CB ALA A 23 81.890 -7.346 22.564 1.00 0.00 C ATOM 0 H ALA A 23 80.502 -5.575 23.621 1.00 0.00 H new ATOM 0 HA ALA A 23 83.149 -5.595 22.526 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.583 -7.949 21.978 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.053 -7.535 23.625 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.866 -7.612 22.301 1.00 0.00 H new ATOM 373 N SER A 24 80.650 -5.530 20.377 1.00 0.00 N ATOM 374 CA SER A 24 80.343 -5.287 18.937 1.00 0.00 C ATOM 375 C SER A 24 80.766 -3.873 18.528 1.00 0.00 C ATOM 376 O SER A 24 81.277 -3.659 17.447 1.00 0.00 O ATOM 377 CB SER A 24 78.838 -5.440 18.710 1.00 0.00 C ATOM 378 OG SER A 24 78.463 -6.793 18.938 1.00 0.00 O ATOM 0 H SER A 24 79.835 -5.629 20.983 1.00 0.00 H new ATOM 0 HA SER A 24 80.893 -6.010 18.335 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.288 -4.780 19.381 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.580 -5.146 17.693 1.00 0.00 H new ATOM 0 HG SER A 24 78.365 -6.947 19.901 1.00 0.00 H new ATOM 384 N ASP A 25 80.542 -2.904 19.372 1.00 0.00 N ATOM 385 CA ASP A 25 80.916 -1.505 19.014 1.00 0.00 C ATOM 386 C ASP A 25 82.423 -1.410 18.781 1.00 0.00 C ATOM 387 O ASP A 25 82.880 -0.736 17.880 1.00 0.00 O ATOM 388 CB ASP A 25 80.518 -0.560 20.147 1.00 0.00 C ATOM 389 CG ASP A 25 80.905 0.871 19.770 1.00 0.00 C ATOM 390 OD1 ASP A 25 82.067 1.210 19.919 1.00 0.00 O ATOM 391 OD2 ASP A 25 80.031 1.604 19.336 1.00 0.00 O ATOM 0 H ASP A 25 80.117 -3.019 20.292 1.00 0.00 H new ATOM 0 HA ASP A 25 80.393 -1.222 18.101 1.00 0.00 H new ATOM 0 HB2 ASP A 25 79.445 -0.623 20.329 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.016 -0.852 21.072 1.00 0.00 H new ATOM 396 N PHE A 26 83.199 -2.079 19.592 1.00 0.00 N ATOM 397 CA PHE A 26 84.686 -2.033 19.433 1.00 0.00 C ATOM 398 C PHE A 26 85.160 -3.270 18.668 1.00 0.00 C ATOM 399 O PHE A 26 86.338 -3.449 18.431 1.00 0.00 O ATOM 400 CB PHE A 26 85.342 -2.009 20.815 1.00 0.00 C ATOM 401 CG PHE A 26 85.143 -0.650 21.449 1.00 0.00 C ATOM 402 CD1 PHE A 26 83.996 -0.391 22.212 1.00 0.00 C ATOM 403 CD2 PHE A 26 86.108 0.349 21.274 1.00 0.00 C ATOM 404 CE1 PHE A 26 83.817 0.867 22.801 1.00 0.00 C ATOM 405 CE2 PHE A 26 85.928 1.608 21.861 1.00 0.00 C ATOM 406 CZ PHE A 26 84.782 1.867 22.624 1.00 0.00 C ATOM 0 H PHE A 26 82.867 -2.659 20.362 1.00 0.00 H new ATOM 0 HA PHE A 26 84.964 -1.137 18.879 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.908 -2.783 21.448 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.406 -2.228 20.727 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.251 -1.161 22.346 1.00 0.00 H new ATOM 0 HD2 PHE A 26 86.992 0.149 20.686 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.935 1.066 23.392 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.672 2.379 21.725 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.642 2.838 23.076 1.00 0.00 H new ATOM 416 N ASN A 27 84.250 -4.123 18.283 1.00 0.00 N ATOM 417 CA ASN A 27 84.640 -5.350 17.531 1.00 0.00 C ATOM 418 C ASN A 27 85.710 -6.118 18.311 1.00 0.00 C ATOM 419 O ASN A 27 86.713 -6.526 17.761 1.00 0.00 O ATOM 420 CB ASN A 27 85.184 -4.965 16.150 1.00 0.00 C ATOM 421 CG ASN A 27 84.041 -4.432 15.284 1.00 0.00 C ATOM 422 OD1 ASN A 27 84.074 -3.301 14.843 1.00 0.00 O ATOM 423 ND2 ASN A 27 83.024 -5.208 15.019 1.00 0.00 N ATOM 0 H ASN A 27 83.250 -4.023 18.457 1.00 0.00 H new ATOM 0 HA ASN A 27 83.762 -5.984 17.405 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.962 -4.208 16.251 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.643 -5.831 15.673 1.00 0.00 H new ATOM 0 HD21 ASN A 27 82.257 -4.864 14.441 1.00 0.00 H new ATOM 0 HD22 ASN A 27 82.997 -6.158 15.390 1.00 0.00 H new ATOM 430 N LEU A 28 85.494 -6.324 19.589 1.00 0.00 N ATOM 431 CA LEU A 28 86.484 -7.078 20.426 1.00 0.00 C ATOM 432 C LEU A 28 85.804 -8.346 20.950 1.00 0.00 C ATOM 433 O LEU A 28 84.606 -8.366 21.140 1.00 0.00 O ATOM 434 CB LEU A 28 86.896 -6.211 21.626 1.00 0.00 C ATOM 435 CG LEU A 28 87.732 -5.007 21.162 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.760 -3.951 22.270 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.173 -5.439 20.852 1.00 0.00 C ATOM 0 H LEU A 28 84.668 -6.000 20.092 1.00 0.00 H new ATOM 0 HA LEU A 28 87.363 -7.329 19.832 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.007 -5.862 22.152 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.471 -6.809 22.333 1.00 0.00 H new ATOM 0 HG LEU A 28 87.280 -4.596 20.259 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.352 -3.096 21.943 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.743 -3.625 22.488 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.205 -4.378 23.169 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.750 -4.574 20.525 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.627 -5.860 21.749 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.166 -6.190 20.062 1.00 0.00 H new ATOM 449 N PRO A 29 86.546 -9.398 21.200 1.00 0.00 N ATOM 450 CA PRO A 29 85.956 -10.661 21.725 1.00 0.00 C ATOM 451 C PRO A 29 85.460 -10.471 23.167 1.00 0.00 C ATOM 452 O PRO A 29 85.868 -9.553 23.848 1.00 0.00 O ATOM 453 CB PRO A 29 87.120 -11.664 21.661 1.00 0.00 C ATOM 454 CG PRO A 29 88.355 -10.821 21.720 1.00 0.00 C ATOM 455 CD PRO A 29 88.004 -9.512 21.010 1.00 0.00 C ATOM 0 HA PRO A 29 85.088 -10.995 21.156 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.082 -12.368 22.492 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.086 -12.252 20.744 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.654 -10.638 22.752 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.192 -11.319 21.230 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.533 -8.665 21.446 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.270 -9.545 19.953 1.00 0.00 H new ATOM 463 N PRO A 30 84.584 -11.323 23.623 1.00 0.00 N ATOM 464 CA PRO A 30 84.020 -11.229 25.003 1.00 0.00 C ATOM 465 C PRO A 30 85.122 -11.207 26.072 1.00 0.00 C ATOM 466 O PRO A 30 84.896 -10.835 27.203 1.00 0.00 O ATOM 467 CB PRO A 30 83.142 -12.498 25.137 1.00 0.00 C ATOM 468 CG PRO A 30 83.562 -13.394 24.010 1.00 0.00 C ATOM 469 CD PRO A 30 84.035 -12.470 22.892 1.00 0.00 C ATOM 0 HA PRO A 30 83.459 -10.307 25.153 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.295 -12.982 26.102 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.082 -12.252 25.069 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.360 -14.067 24.323 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.732 -14.017 23.677 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.788 -12.947 22.265 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.215 -12.176 22.237 1.00 0.00 H new ATOM 477 N VAL A 31 86.310 -11.612 25.734 1.00 0.00 N ATOM 478 CA VAL A 31 87.394 -11.627 26.752 1.00 0.00 C ATOM 479 C VAL A 31 87.625 -10.215 27.291 1.00 0.00 C ATOM 480 O VAL A 31 87.653 -9.999 28.487 1.00 0.00 O ATOM 481 CB VAL A 31 88.673 -12.154 26.096 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.874 -11.962 27.029 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.492 -13.637 25.780 1.00 0.00 C ATOM 0 H VAL A 31 86.578 -11.932 24.803 1.00 0.00 H new ATOM 0 HA VAL A 31 87.112 -12.272 27.584 1.00 0.00 H new ATOM 0 HB VAL A 31 88.862 -11.599 25.177 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.774 -12.342 26.546 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.000 -10.901 27.247 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.703 -12.506 27.958 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.398 -14.023 25.312 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.299 -14.185 26.702 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.650 -13.764 25.100 1.00 0.00 H new ATOM 493 N VAL A 32 87.780 -9.251 26.433 1.00 0.00 N ATOM 494 CA VAL A 32 87.992 -7.864 26.926 1.00 0.00 C ATOM 495 C VAL A 32 86.702 -7.358 27.572 1.00 0.00 C ATOM 496 O VAL A 32 86.713 -6.768 28.634 1.00 0.00 O ATOM 497 CB VAL A 32 88.383 -6.956 25.755 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.361 -5.490 26.202 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.794 -7.320 25.286 1.00 0.00 C ATOM 0 H VAL A 32 87.770 -9.360 25.419 1.00 0.00 H new ATOM 0 HA VAL A 32 88.794 -7.854 27.664 1.00 0.00 H new ATOM 0 HB VAL A 32 87.673 -7.093 24.939 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.640 -4.850 25.365 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.359 -5.228 26.541 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.069 -5.348 27.019 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.078 -6.677 24.453 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.497 -7.181 26.107 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.813 -8.361 24.964 1.00 0.00 H new ATOM 509 N ALA A 33 85.589 -7.587 26.934 1.00 0.00 N ATOM 510 CA ALA A 33 84.295 -7.123 27.502 1.00 0.00 C ATOM 511 C ALA A 33 84.019 -7.837 28.826 1.00 0.00 C ATOM 512 O ALA A 33 83.590 -7.231 29.788 1.00 0.00 O ATOM 513 CB ALA A 33 83.168 -7.414 26.509 1.00 0.00 C ATOM 0 H ALA A 33 85.520 -8.077 26.042 1.00 0.00 H new ATOM 0 HA ALA A 33 84.347 -6.050 27.685 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.220 -7.074 26.925 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.363 -6.889 25.574 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.118 -8.486 26.320 1.00 0.00 H new ATOM 519 N LYS A 34 84.263 -9.120 28.891 1.00 0.00 N ATOM 520 CA LYS A 34 84.011 -9.853 30.163 1.00 0.00 C ATOM 521 C LYS A 34 84.944 -9.323 31.256 1.00 0.00 C ATOM 522 O LYS A 34 84.553 -9.171 32.397 1.00 0.00 O ATOM 523 CB LYS A 34 84.257 -11.352 29.951 1.00 0.00 C ATOM 524 CG LYS A 34 83.161 -11.956 29.053 1.00 0.00 C ATOM 525 CD LYS A 34 81.894 -12.264 29.871 1.00 0.00 C ATOM 526 CE LYS A 34 80.922 -13.073 29.010 1.00 0.00 C ATOM 527 NZ LYS A 34 79.819 -13.597 29.865 1.00 0.00 N ATOM 0 H LYS A 34 84.623 -9.687 28.123 1.00 0.00 H new ATOM 0 HA LYS A 34 82.976 -9.700 30.470 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.235 -11.505 29.495 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.270 -11.864 30.913 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.920 -11.262 28.248 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.529 -12.870 28.586 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.154 -12.823 30.770 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.424 -11.337 30.198 1.00 0.00 H new ATOM 0 HE2 LYS A 34 80.515 -12.447 28.216 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.446 -13.898 28.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.158 -14.147 29.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 80.216 -14.208 30.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 79.313 -12.802 30.305 1.00 0.00 H new ATOM 541 N GLU A 35 86.176 -9.043 30.924 1.00 0.00 N ATOM 542 CA GLU A 35 87.124 -8.530 31.957 1.00 0.00 C ATOM 543 C GLU A 35 86.619 -7.196 32.512 1.00 0.00 C ATOM 544 O GLU A 35 86.690 -6.942 33.699 1.00 0.00 O ATOM 545 CB GLU A 35 88.505 -8.328 31.331 1.00 0.00 C ATOM 546 CG GLU A 35 89.554 -8.140 32.433 1.00 0.00 C ATOM 547 CD GLU A 35 89.397 -6.754 33.060 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.378 -5.787 32.316 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.299 -6.683 34.275 1.00 0.00 O ATOM 0 H GLU A 35 86.566 -9.146 29.987 1.00 0.00 H new ATOM 0 HA GLU A 35 87.192 -9.255 32.768 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.764 -9.188 30.714 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.493 -7.457 30.676 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.437 -8.910 33.195 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.556 -8.251 32.018 1.00 0.00 H new ATOM 556 N ILE A 36 86.106 -6.341 31.671 1.00 0.00 N ATOM 557 CA ILE A 36 85.598 -5.033 32.167 1.00 0.00 C ATOM 558 C ILE A 36 84.473 -5.301 33.163 1.00 0.00 C ATOM 559 O ILE A 36 84.371 -4.661 34.191 1.00 0.00 O ATOM 560 CB ILE A 36 85.085 -4.203 30.986 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.282 -3.763 30.136 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.346 -2.963 31.502 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.796 -3.230 28.790 1.00 0.00 C ATOM 0 H ILE A 36 86.017 -6.491 30.666 1.00 0.00 H new ATOM 0 HA ILE A 36 86.394 -4.474 32.659 1.00 0.00 H new ATOM 0 HB ILE A 36 84.399 -4.803 30.388 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.847 -2.992 30.660 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.958 -4.604 29.981 1.00 0.00 H new ATOM 0 HG21 ILE A 36 83.984 -2.377 30.657 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.501 -3.273 32.117 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.027 -2.356 32.099 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.652 -2.919 28.191 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.251 -4.013 28.264 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.138 -2.376 28.953 1.00 0.00 H new ATOM 575 N VAL A 37 83.640 -6.262 32.874 1.00 0.00 N ATOM 576 CA VAL A 37 82.533 -6.599 33.805 1.00 0.00 C ATOM 577 C VAL A 37 83.145 -7.059 35.132 1.00 0.00 C ATOM 578 O VAL A 37 82.665 -6.735 36.200 1.00 0.00 O ATOM 579 CB VAL A 37 81.686 -7.725 33.200 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.698 -8.253 34.245 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.919 -7.189 31.989 1.00 0.00 C ATOM 0 H VAL A 37 83.681 -6.830 32.028 1.00 0.00 H new ATOM 0 HA VAL A 37 81.896 -5.730 33.972 1.00 0.00 H new ATOM 0 HB VAL A 37 82.339 -8.539 32.886 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.100 -9.053 33.809 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.248 -8.639 35.104 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.043 -7.444 34.568 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.316 -7.988 31.557 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.268 -6.373 32.303 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.625 -6.824 31.243 1.00 0.00 H new ATOM 591 N ALA A 38 84.204 -7.816 35.061 1.00 0.00 N ATOM 592 CA ALA A 38 84.866 -8.308 36.302 1.00 0.00 C ATOM 593 C ALA A 38 85.515 -7.134 37.040 1.00 0.00 C ATOM 594 O ALA A 38 85.620 -7.134 38.249 1.00 0.00 O ATOM 595 CB ALA A 38 85.943 -9.333 35.933 1.00 0.00 C ATOM 0 H ALA A 38 84.643 -8.117 34.191 1.00 0.00 H new ATOM 0 HA ALA A 38 84.122 -8.775 36.947 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.428 -9.694 36.840 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.483 -10.171 35.409 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.685 -8.864 35.287 1.00 0.00 H new ATOM 601 N SER A 39 85.958 -6.135 36.325 1.00 0.00 N ATOM 602 CA SER A 39 86.604 -4.973 36.999 1.00 0.00 C ATOM 603 C SER A 39 85.543 -4.148 37.726 1.00 0.00 C ATOM 604 O SER A 39 85.758 -3.674 38.824 1.00 0.00 O ATOM 605 CB SER A 39 87.298 -4.097 35.955 1.00 0.00 C ATOM 606 OG SER A 39 88.390 -4.813 35.392 1.00 0.00 O ATOM 0 H SER A 39 85.901 -6.073 35.308 1.00 0.00 H new ATOM 0 HA SER A 39 87.339 -5.336 37.718 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.592 -3.814 35.174 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.652 -3.174 36.415 1.00 0.00 H new ATOM 0 HG SER A 39 88.056 -5.614 34.937 1.00 0.00 H new ATOM 612 N CYS A 40 84.397 -3.975 37.130 1.00 0.00 N ATOM 613 CA CYS A 40 83.327 -3.185 37.799 1.00 0.00 C ATOM 614 C CYS A 40 82.700 -4.041 38.904 1.00 0.00 C ATOM 615 O CYS A 40 82.024 -5.016 38.643 1.00 0.00 O ATOM 616 CB CYS A 40 82.268 -2.793 36.766 1.00 0.00 C ATOM 617 SG CYS A 40 81.164 -1.541 37.466 1.00 0.00 S ATOM 0 H CYS A 40 84.155 -4.345 36.211 1.00 0.00 H new ATOM 0 HA CYS A 40 83.743 -2.278 38.238 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.749 -2.406 35.868 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.695 -3.671 36.468 1.00 0.00 H new ATOM 0 HG CYS A 40 80.722 -0.772 36.516 1.00 0.00 H new ATOM 622 N ASP A 41 82.944 -3.693 40.140 1.00 0.00 N ATOM 623 CA ASP A 41 82.393 -4.490 41.276 1.00 0.00 C ATOM 624 C ASP A 41 80.864 -4.517 41.231 1.00 0.00 C ATOM 625 O ASP A 41 80.247 -5.527 41.507 1.00 0.00 O ATOM 626 CB ASP A 41 82.846 -3.857 42.596 1.00 0.00 C ATOM 627 CG ASP A 41 84.329 -4.156 42.827 1.00 0.00 C ATOM 628 OD1 ASP A 41 85.149 -3.504 42.204 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.619 -5.027 43.631 1.00 0.00 O ATOM 0 H ASP A 41 83.505 -2.886 40.413 1.00 0.00 H new ATOM 0 HA ASP A 41 82.761 -5.513 41.198 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.682 -2.780 42.570 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.253 -4.250 43.422 1.00 0.00 H new ATOM 634 N LYS A 42 80.247 -3.420 40.902 1.00 0.00 N ATOM 635 CA LYS A 42 78.758 -3.391 40.864 1.00 0.00 C ATOM 636 C LYS A 42 78.241 -4.412 39.846 1.00 0.00 C ATOM 637 O LYS A 42 77.259 -5.090 40.078 1.00 0.00 O ATOM 638 CB LYS A 42 78.289 -1.987 40.483 1.00 0.00 C ATOM 639 CG LYS A 42 78.599 -1.029 41.635 1.00 0.00 C ATOM 640 CD LYS A 42 78.136 0.382 41.273 1.00 0.00 C ATOM 641 CE LYS A 42 78.450 1.331 42.430 1.00 0.00 C ATOM 642 NZ LYS A 42 78.109 2.727 42.037 1.00 0.00 N ATOM 0 H LYS A 42 80.706 -2.543 40.658 1.00 0.00 H new ATOM 0 HA LYS A 42 78.365 -3.648 41.848 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.790 -1.657 39.573 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.219 -1.991 40.274 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.099 -1.364 42.544 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.669 -1.029 41.842 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.636 0.719 40.365 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.066 0.384 41.067 1.00 0.00 H new ATOM 0 HE2 LYS A 42 77.882 1.042 43.315 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.506 1.264 42.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 78.323 3.371 42.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.669 3.000 41.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.096 2.785 41.807 1.00 0.00 H new ATOM 656 N CYS A 43 78.892 -4.531 38.721 1.00 0.00 N ATOM 657 CA CYS A 43 78.427 -5.511 37.698 1.00 0.00 C ATOM 658 C CYS A 43 78.812 -6.929 38.124 1.00 0.00 C ATOM 659 O CYS A 43 78.135 -7.888 37.808 1.00 0.00 O ATOM 660 CB CYS A 43 79.100 -5.229 36.354 1.00 0.00 C ATOM 661 SG CYS A 43 78.785 -3.525 35.844 1.00 0.00 S ATOM 0 H CYS A 43 79.722 -3.995 38.467 1.00 0.00 H new ATOM 0 HA CYS A 43 77.345 -5.419 37.606 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.174 -5.400 36.434 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.723 -5.918 35.598 1.00 0.00 H new ATOM 0 HG CYS A 43 79.655 -2.737 36.402 1.00 0.00 H new ATOM 666 N GLN A 44 79.918 -7.072 38.807 1.00 0.00 N ATOM 667 CA GLN A 44 80.379 -8.431 39.217 1.00 0.00 C ATOM 668 C GLN A 44 79.616 -8.920 40.449 1.00 0.00 C ATOM 669 O GLN A 44 78.815 -9.831 40.372 1.00 0.00 O ATOM 670 CB GLN A 44 81.875 -8.359 39.550 1.00 0.00 C ATOM 671 CG GLN A 44 82.402 -9.751 39.910 1.00 0.00 C ATOM 672 CD GLN A 44 83.893 -9.661 40.240 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.580 -8.630 39.830 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.440 -10.536 40.882 1.00 0.00 N ATOM 0 H GLN A 44 80.523 -6.304 39.099 1.00 0.00 H new ATOM 0 HA GLN A 44 80.196 -9.128 38.399 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.426 -7.962 38.698 1.00 0.00 H new ATOM 0 HB3 GLN A 44 82.038 -7.674 40.382 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.853 -10.150 40.763 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.243 -10.438 39.079 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.905 -11.343 41.204 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.434 -10.464 41.099 1.00 0.00 H new ATOM 844 N PHE B 1 93.818 -14.296 21.796 1.00 0.00 N ATOM 845 CA PHE B 1 92.731 -14.026 22.781 1.00 0.00 C ATOM 846 C PHE B 1 92.144 -15.344 23.293 1.00 0.00 C ATOM 847 O PHE B 1 92.569 -15.882 24.297 1.00 0.00 O ATOM 848 CB PHE B 1 91.620 -13.212 22.111 1.00 0.00 C ATOM 849 CG PHE B 1 92.085 -11.792 21.889 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.964 -11.498 20.840 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.632 -10.767 22.729 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.390 -10.180 20.632 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.057 -9.450 22.521 1.00 0.00 C ATOM 854 CZ PHE B 1 92.936 -9.156 21.472 1.00 0.00 C ATOM 0 H1 PHE B 1 94.058 -13.417 21.294 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.659 -14.650 22.295 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.496 -15.009 21.111 1.00 0.00 H new ATOM 0 HA PHE B 1 93.148 -13.466 23.618 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.347 -13.667 21.159 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.726 -13.218 22.735 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.314 -12.287 20.191 1.00 0.00 H new ATOM 0 HD2 PHE B 1 90.954 -10.993 23.538 1.00 0.00 H new ATOM 0 HE1 PHE B 1 94.069 -9.954 19.823 1.00 0.00 H new ATOM 0 HE2 PHE B 1 91.707 -8.661 23.170 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.264 -8.140 21.311 1.00 0.00 H new ATOM 866 N LEU B 2 91.150 -15.852 22.620 1.00 0.00 N ATOM 867 CA LEU B 2 90.502 -17.118 23.069 1.00 0.00 C ATOM 868 C LEU B 2 91.517 -18.268 23.075 1.00 0.00 C ATOM 869 O LEU B 2 91.513 -19.100 23.961 1.00 0.00 O ATOM 870 CB LEU B 2 89.358 -17.458 22.105 1.00 0.00 C ATOM 871 CG LEU B 2 88.321 -16.321 22.094 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.330 -16.547 20.951 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.555 -16.279 23.423 1.00 0.00 C ATOM 0 H LEU B 2 90.755 -15.443 21.773 1.00 0.00 H new ATOM 0 HA LEU B 2 90.119 -16.984 24.081 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.752 -17.611 21.100 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.883 -18.391 22.407 1.00 0.00 H new ATOM 0 HG LEU B 2 88.843 -15.374 21.955 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.595 -15.742 20.942 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.866 -16.559 20.002 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.822 -17.501 21.093 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.826 -15.469 23.397 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.039 -17.227 23.576 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.255 -16.111 24.241 1.00 0.00 H new ATOM 885 N ASP B 3 92.375 -18.336 22.092 1.00 0.00 N ATOM 886 CA ASP B 3 93.368 -19.450 22.050 1.00 0.00 C ATOM 887 C ASP B 3 94.335 -19.351 23.229 1.00 0.00 C ATOM 888 O ASP B 3 94.691 -20.343 23.833 1.00 0.00 O ATOM 889 CB ASP B 3 94.156 -19.372 20.746 1.00 0.00 C ATOM 890 CG ASP B 3 93.249 -19.762 19.578 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.409 -20.624 19.769 1.00 0.00 O ATOM 892 OD2 ASP B 3 93.411 -19.190 18.511 1.00 0.00 O ATOM 0 H ASP B 3 92.432 -17.672 21.320 1.00 0.00 H new ATOM 0 HA ASP B 3 92.835 -20.399 22.111 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.540 -18.362 20.601 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.018 -20.038 20.789 1.00 0.00 H new ATOM 897 N GLY B 4 94.755 -18.168 23.572 1.00 0.00 N ATOM 898 CA GLY B 4 95.691 -18.022 24.722 1.00 0.00 C ATOM 899 C GLY B 4 94.991 -18.513 25.984 1.00 0.00 C ATOM 900 O GLY B 4 95.593 -19.113 26.853 1.00 0.00 O ATOM 0 H GLY B 4 94.493 -17.298 23.109 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.600 -18.597 24.545 1.00 0.00 H new ATOM 0 HA3 GLY B 4 95.990 -16.980 24.836 1.00 0.00 H new ATOM 904 N ILE B 5 93.719 -18.255 26.086 1.00 0.00 N ATOM 905 CA ILE B 5 92.957 -18.694 27.285 1.00 0.00 C ATOM 906 C ILE B 5 92.851 -20.222 27.316 1.00 0.00 C ATOM 907 O ILE B 5 92.954 -20.833 28.360 1.00 0.00 O ATOM 908 CB ILE B 5 91.555 -18.077 27.234 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.664 -16.567 27.476 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.663 -18.718 28.302 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.310 -15.901 27.227 1.00 0.00 C ATOM 0 H ILE B 5 93.171 -17.756 25.385 1.00 0.00 H new ATOM 0 HA ILE B 5 93.475 -18.365 28.186 1.00 0.00 H new ATOM 0 HB ILE B 5 91.110 -18.258 26.255 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.990 -16.376 28.498 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.417 -16.137 26.816 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.668 -18.274 28.259 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.590 -19.790 28.120 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.095 -18.546 29.288 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.395 -14.828 27.401 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.001 -16.078 26.197 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.568 -16.321 27.906 1.00 0.00 H new ATOM 923 N ASP B 6 92.637 -20.845 26.192 1.00 0.00 N ATOM 924 CA ASP B 6 92.516 -22.329 26.189 1.00 0.00 C ATOM 925 C ASP B 6 93.819 -22.944 26.698 1.00 0.00 C ATOM 926 O ASP B 6 93.816 -23.839 27.520 1.00 0.00 O ATOM 927 CB ASP B 6 92.235 -22.817 24.768 1.00 0.00 C ATOM 928 CG ASP B 6 90.819 -22.405 24.360 1.00 0.00 C ATOM 929 OD1 ASP B 6 89.962 -22.370 25.227 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.619 -22.132 23.188 1.00 0.00 O ATOM 0 H ASP B 6 92.541 -20.395 25.281 1.00 0.00 H new ATOM 0 HA ASP B 6 91.695 -22.630 26.840 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.963 -22.393 24.076 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.339 -23.901 24.717 1.00 0.00 H new ATOM 935 N LYS B 7 94.936 -22.457 26.234 1.00 0.00 N ATOM 936 CA LYS B 7 96.238 -23.003 26.711 1.00 0.00 C ATOM 937 C LYS B 7 96.430 -22.593 28.170 1.00 0.00 C ATOM 938 O LYS B 7 96.900 -23.356 28.989 1.00 0.00 O ATOM 939 CB LYS B 7 97.379 -22.419 25.868 1.00 0.00 C ATOM 940 CG LYS B 7 97.202 -22.786 24.387 1.00 0.00 C ATOM 941 CD LYS B 7 97.452 -24.284 24.168 1.00 0.00 C ATOM 942 CE LYS B 7 97.652 -24.551 22.673 1.00 0.00 C ATOM 943 NZ LYS B 7 98.846 -23.802 22.189 1.00 0.00 N ATOM 0 H LYS B 7 95.004 -21.706 25.547 1.00 0.00 H new ATOM 0 HA LYS B 7 96.243 -24.089 26.620 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.402 -21.335 25.979 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.335 -22.797 26.230 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.194 -22.529 24.061 1.00 0.00 H new ATOM 0 HG3 LYS B 7 97.893 -22.204 23.777 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.332 -24.603 24.727 1.00 0.00 H new ATOM 0 HD3 LYS B 7 96.609 -24.864 24.543 1.00 0.00 H new ATOM 0 HE2 LYS B 7 97.784 -25.619 22.498 1.00 0.00 H new ATOM 0 HE3 LYS B 7 96.767 -24.244 22.116 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.285 -24.320 21.402 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 98.555 -22.858 21.863 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 99.532 -23.704 22.964 1.00 0.00 H new ATOM 957 N ALA B 8 96.064 -21.385 28.495 1.00 0.00 N ATOM 958 CA ALA B 8 96.210 -20.897 29.894 1.00 0.00 C ATOM 959 C ALA B 8 95.209 -21.615 30.803 1.00 0.00 C ATOM 960 O ALA B 8 95.443 -21.797 31.981 1.00 0.00 O ATOM 961 CB ALA B 8 95.944 -19.392 29.936 1.00 0.00 C ATOM 0 H ALA B 8 95.666 -20.708 27.844 1.00 0.00 H new ATOM 0 HA ALA B 8 97.222 -21.102 30.242 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.050 -19.032 30.959 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.660 -18.878 29.294 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.932 -19.191 29.584 1.00 0.00 H new ATOM 967 N GLN B 9 94.085 -22.003 30.267 1.00 0.00 N ATOM 968 CA GLN B 9 93.056 -22.684 31.101 1.00 0.00 C ATOM 969 C GLN B 9 93.621 -23.987 31.668 1.00 0.00 C ATOM 970 O GLN B 9 94.335 -24.712 31.003 1.00 0.00 O ATOM 971 CB GLN B 9 91.824 -22.990 30.251 1.00 0.00 C ATOM 972 CG GLN B 9 90.689 -23.462 31.159 1.00 0.00 C ATOM 973 CD GLN B 9 89.431 -23.703 30.323 1.00 0.00 C ATOM 974 OE1 GLN B 9 88.632 -22.807 30.135 1.00 0.00 O ATOM 975 NE2 GLN B 9 89.222 -24.883 29.807 1.00 0.00 N ATOM 0 H GLN B 9 93.835 -21.878 29.286 1.00 0.00 H new ATOM 0 HA GLN B 9 92.776 -22.027 31.924 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.518 -22.101 29.700 1.00 0.00 H new ATOM 0 HB3 GLN B 9 92.058 -23.758 29.513 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.978 -24.379 31.673 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.490 -22.715 31.928 1.00 0.00 H new ATOM 0 HE21 GLN B 9 89.893 -25.635 29.965 1.00 0.00 H new ATOM 0 HE22 GLN B 9 88.388 -25.054 29.246 1.00 0.00 H new ATOM 984 N GLU B 10 93.309 -24.281 32.900 1.00 0.00 N ATOM 985 CA GLU B 10 93.825 -25.526 33.536 1.00 0.00 C ATOM 986 C GLU B 10 93.061 -25.766 34.847 1.00 0.00 C ATOM 987 O GLU B 10 92.350 -24.904 35.325 1.00 0.00 O ATOM 988 CB GLU B 10 95.328 -25.366 33.811 1.00 0.00 C ATOM 989 CG GLU B 10 95.913 -26.679 34.344 1.00 0.00 C ATOM 990 CD GLU B 10 97.437 -26.572 34.398 1.00 0.00 C ATOM 991 OE1 GLU B 10 97.933 -25.935 35.313 1.00 0.00 O ATOM 992 OE2 GLU B 10 98.082 -27.129 33.525 1.00 0.00 O ATOM 0 H GLU B 10 92.714 -23.708 33.498 1.00 0.00 H new ATOM 0 HA GLU B 10 93.678 -26.380 32.875 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.843 -25.075 32.896 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.489 -24.567 34.535 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.517 -26.889 35.337 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.618 -27.508 33.701 1.00 0.00 H new ATOM 999 N GLU B 11 93.182 -26.932 35.417 1.00 0.00 N ATOM 1000 CA GLU B 11 92.446 -27.238 36.680 1.00 0.00 C ATOM 1001 C GLU B 11 92.693 -26.136 37.718 1.00 0.00 C ATOM 1002 O GLU B 11 93.737 -25.514 37.747 1.00 0.00 O ATOM 1003 CB GLU B 11 92.932 -28.581 37.227 1.00 0.00 C ATOM 1004 CG GLU B 11 92.469 -29.702 36.292 1.00 0.00 C ATOM 1005 CD GLU B 11 93.082 -31.031 36.735 1.00 0.00 C ATOM 1006 OE1 GLU B 11 94.232 -31.272 36.403 1.00 0.00 O ATOM 1007 OE2 GLU B 11 92.391 -31.787 37.398 1.00 0.00 O ATOM 0 H GLU B 11 93.762 -27.692 35.062 1.00 0.00 H new ATOM 0 HA GLU B 11 91.377 -27.288 36.472 1.00 0.00 H new ATOM 0 HB2 GLU B 11 94.019 -28.583 37.306 1.00 0.00 H new ATOM 0 HB3 GLU B 11 92.539 -28.742 38.231 1.00 0.00 H new ATOM 0 HG2 GLU B 11 91.381 -29.771 36.303 1.00 0.00 H new ATOM 0 HG3 GLU B 11 92.764 -29.478 35.267 1.00 0.00 H new ATOM 1014 N HIS B 12 91.724 -25.886 38.562 1.00 0.00 N ATOM 1015 CA HIS B 12 91.873 -24.818 39.596 1.00 0.00 C ATOM 1016 C HIS B 12 93.009 -25.176 40.554 1.00 0.00 C ATOM 1017 O HIS B 12 92.787 -25.522 41.698 1.00 0.00 O ATOM 1018 CB HIS B 12 90.564 -24.694 40.383 1.00 0.00 C ATOM 1019 CG HIS B 12 90.735 -23.735 41.534 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.612 -22.359 41.382 1.00 0.00 N ATOM 1021 CD2 HIS B 12 90.991 -23.944 42.866 1.00 0.00 C ATOM 1022 CE1 HIS B 12 90.786 -21.800 42.599 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.019 -22.723 43.532 1.00 0.00 N ATOM 0 H HIS B 12 90.831 -26.379 38.579 1.00 0.00 H new ATOM 0 HA HIS B 12 92.103 -23.871 39.107 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.768 -24.345 39.725 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.263 -25.672 40.757 1.00 0.00 H new ATOM 0 HD1 HIS B 12 90.425 -21.862 40.511 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.147 -24.908 43.326 1.00 0.00 H new ATOM 0 HE1 HIS B 12 90.742 -20.738 42.792 1.00 0.00 H new ATOM 1031 N GLU B 13 94.226 -25.083 40.097 1.00 0.00 N ATOM 1032 CA GLU B 13 95.388 -25.401 40.972 1.00 0.00 C ATOM 1033 C GLU B 13 95.813 -24.141 41.726 1.00 0.00 C ATOM 1034 O GLU B 13 95.118 -23.145 41.739 1.00 0.00 O ATOM 1035 CB GLU B 13 96.550 -25.887 40.109 1.00 0.00 C ATOM 1036 CG GLU B 13 96.200 -27.242 39.497 1.00 0.00 C ATOM 1037 CD GLU B 13 97.360 -27.723 38.626 1.00 0.00 C ATOM 1038 OE1 GLU B 13 98.326 -26.988 38.502 1.00 0.00 O ATOM 1039 OE2 GLU B 13 97.262 -28.816 38.095 1.00 0.00 O ATOM 0 H GLU B 13 94.467 -24.798 39.148 1.00 0.00 H new ATOM 0 HA GLU B 13 95.109 -26.178 41.684 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.759 -25.163 39.321 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.454 -25.971 40.712 1.00 0.00 H new ATOM 0 HG2 GLU B 13 95.998 -27.967 40.285 1.00 0.00 H new ATOM 0 HG3 GLU B 13 95.292 -27.159 38.899 1.00 0.00 H new ATOM 1046 N LYS B 14 96.958 -24.176 42.344 1.00 0.00 N ATOM 1047 CA LYS B 14 97.445 -22.982 43.089 1.00 0.00 C ATOM 1048 C LYS B 14 97.823 -21.879 42.092 1.00 0.00 C ATOM 1049 O LYS B 14 97.827 -20.709 42.416 1.00 0.00 O ATOM 1050 CB LYS B 14 98.669 -23.361 43.925 1.00 0.00 C ATOM 1051 CG LYS B 14 98.234 -24.271 45.080 1.00 0.00 C ATOM 1052 CD LYS B 14 99.455 -24.653 45.920 1.00 0.00 C ATOM 1053 CE LYS B 14 99.025 -25.561 47.073 1.00 0.00 C ATOM 1054 NZ LYS B 14 98.153 -24.798 48.012 1.00 0.00 N ATOM 0 H LYS B 14 97.581 -24.983 42.366 1.00 0.00 H new ATOM 0 HA LYS B 14 96.657 -22.620 43.750 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.405 -23.871 43.303 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.149 -22.463 44.315 1.00 0.00 H new ATOM 0 HG2 LYS B 14 97.498 -23.761 45.701 1.00 0.00 H new ATOM 0 HG3 LYS B 14 97.754 -25.168 44.689 1.00 0.00 H new ATOM 0 HD2 LYS B 14 100.191 -25.163 45.298 1.00 0.00 H new ATOM 0 HD3 LYS B 14 99.935 -23.756 46.311 1.00 0.00 H new ATOM 0 HE2 LYS B 14 98.489 -26.428 46.686 1.00 0.00 H new ATOM 0 HE3 LYS B 14 99.902 -25.937 47.600 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 98.096 -25.302 48.920 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 98.554 -23.851 48.166 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 97.200 -24.709 47.606 1.00 0.00 H new ATOM 1068 N TYR B 15 98.152 -22.248 40.884 1.00 0.00 N ATOM 1069 CA TYR B 15 98.545 -21.229 39.868 1.00 0.00 C ATOM 1070 C TYR B 15 97.395 -20.240 39.637 1.00 0.00 C ATOM 1071 O TYR B 15 97.623 -19.080 39.360 1.00 0.00 O ATOM 1072 CB TYR B 15 98.920 -21.922 38.549 1.00 0.00 C ATOM 1073 CG TYR B 15 100.331 -22.459 38.648 1.00 0.00 C ATOM 1074 CD1 TYR B 15 100.573 -23.678 39.289 1.00 0.00 C ATOM 1075 CD2 TYR B 15 101.396 -21.725 38.113 1.00 0.00 C ATOM 1076 CE1 TYR B 15 101.881 -24.165 39.395 1.00 0.00 C ATOM 1077 CE2 TYR B 15 102.705 -22.212 38.217 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.947 -23.433 38.860 1.00 0.00 C ATOM 1079 OH TYR B 15 104.237 -23.914 38.969 1.00 0.00 O ATOM 0 H TYR B 15 98.166 -23.214 40.556 1.00 0.00 H new ATOM 0 HA TYR B 15 99.410 -20.678 40.237 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.224 -22.734 38.341 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.844 -21.217 37.721 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.751 -24.244 39.702 1.00 0.00 H new ATOM 0 HD2 TYR B 15 101.208 -20.783 37.620 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.068 -25.106 39.890 1.00 0.00 H new ATOM 0 HE2 TYR B 15 103.527 -21.647 37.802 1.00 0.00 H new ATOM 0 HH TYR B 15 104.857 -23.285 38.544 1.00 0.00 H new ATOM 1089 N HIS B 16 96.166 -20.669 39.746 1.00 0.00 N ATOM 1090 CA HIS B 16 95.046 -19.709 39.525 1.00 0.00 C ATOM 1091 C HIS B 16 95.158 -18.570 40.544 1.00 0.00 C ATOM 1092 O HIS B 16 94.941 -17.417 40.224 1.00 0.00 O ATOM 1093 CB HIS B 16 93.694 -20.418 39.710 1.00 0.00 C ATOM 1094 CG HIS B 16 93.325 -21.181 38.468 1.00 0.00 C ATOM 1095 ND1 HIS B 16 92.033 -21.642 38.242 1.00 0.00 N ATOM 1096 CD2 HIS B 16 94.055 -21.556 37.367 1.00 0.00 C ATOM 1097 CE1 HIS B 16 92.025 -22.259 37.047 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.231 -22.235 36.475 1.00 0.00 N ATOM 0 H HIS B 16 95.892 -21.625 39.974 1.00 0.00 H new ATOM 0 HA HIS B 16 95.106 -19.316 38.510 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.747 -21.099 40.560 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.920 -19.685 39.937 1.00 0.00 H new ATOM 0 HD2 HIS B 16 95.105 -21.355 37.217 1.00 0.00 H new ATOM 0 HE1 HIS B 16 91.152 -22.717 36.605 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.493 -22.632 35.573 1.00 0.00 H new ATOM 1106 N SER B 17 95.503 -18.875 41.765 1.00 0.00 N ATOM 1107 CA SER B 17 95.631 -17.794 42.780 1.00 0.00 C ATOM 1108 C SER B 17 96.724 -16.823 42.334 1.00 0.00 C ATOM 1109 O SER B 17 96.591 -15.621 42.456 1.00 0.00 O ATOM 1110 CB SER B 17 96.013 -18.405 44.129 1.00 0.00 C ATOM 1111 OG SER B 17 97.328 -18.944 44.041 1.00 0.00 O ATOM 0 H SER B 17 95.700 -19.818 42.101 1.00 0.00 H new ATOM 0 HA SER B 17 94.683 -17.265 42.879 1.00 0.00 H new ATOM 0 HB2 SER B 17 95.969 -17.647 44.911 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.304 -19.186 44.402 1.00 0.00 H new ATOM 0 HG SER B 17 97.414 -19.463 43.214 1.00 0.00 H new ATOM 1117 N ASN B 18 97.802 -17.337 41.801 1.00 0.00 N ATOM 1118 CA ASN B 18 98.906 -16.452 41.329 1.00 0.00 C ATOM 1119 C ASN B 18 98.690 -16.143 39.846 1.00 0.00 C ATOM 1120 O ASN B 18 99.263 -16.776 38.982 1.00 0.00 O ATOM 1121 CB ASN B 18 100.243 -17.173 41.507 1.00 0.00 C ATOM 1122 CG ASN B 18 100.564 -17.299 42.999 1.00 0.00 C ATOM 1123 OD1 ASN B 18 100.034 -16.567 43.812 1.00 0.00 O ATOM 1124 ND2 ASN B 18 101.414 -18.205 43.396 1.00 0.00 N ATOM 0 H ASN B 18 97.965 -18.336 41.672 1.00 0.00 H new ATOM 0 HA ASN B 18 98.914 -15.526 41.904 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.198 -18.161 41.050 1.00 0.00 H new ATOM 0 HB3 ASN B 18 101.035 -16.622 41.000 1.00 0.00 H new ATOM 0 HD21 ASN B 18 101.633 -18.299 44.388 1.00 0.00 H new ATOM 0 HD22 ASN B 18 101.859 -18.820 42.715 1.00 0.00 H new ATOM 1131 N TRP B 19 97.867 -15.180 39.543 1.00 0.00 N ATOM 1132 CA TRP B 19 97.614 -14.840 38.116 1.00 0.00 C ATOM 1133 C TRP B 19 98.863 -14.194 37.511 1.00 0.00 C ATOM 1134 O TRP B 19 99.087 -14.247 36.317 1.00 0.00 O ATOM 1135 CB TRP B 19 96.424 -13.881 38.007 1.00 0.00 C ATOM 1136 CG TRP B 19 96.763 -12.565 38.630 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.413 -12.189 39.881 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.502 -11.446 38.056 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.886 -10.910 40.111 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.564 -10.409 39.019 1.00 0.00 C ATOM 1141 CE3 TRP B 19 98.118 -11.231 36.809 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 98.212 -9.203 38.752 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.772 -10.018 36.540 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.817 -9.006 37.509 1.00 0.00 C ATOM 0 H TRP B 19 97.358 -14.613 40.222 1.00 0.00 H new ATOM 0 HA TRP B 19 97.381 -15.753 37.568 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.158 -13.738 36.960 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.554 -14.312 38.501 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.856 -12.789 40.585 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.750 -10.399 40.983 1.00 0.00 H new ATOM 0 HE3 TRP B 19 98.087 -12.003 36.055 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 98.246 -8.427 39.502 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.243 -9.864 35.581 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.319 -8.074 37.294 1.00 0.00 H new ATOM 1155 N ARG B 20 99.669 -13.565 38.321 1.00 0.00 N ATOM 1156 CA ARG B 20 100.889 -12.893 37.789 1.00 0.00 C ATOM 1157 C ARG B 20 101.812 -13.919 37.125 1.00 0.00 C ATOM 1158 O ARG B 20 102.389 -13.663 36.087 1.00 0.00 O ATOM 1159 CB ARG B 20 101.642 -12.230 38.947 1.00 0.00 C ATOM 1160 CG ARG B 20 100.842 -11.036 39.466 1.00 0.00 C ATOM 1161 CD ARG B 20 101.597 -10.375 40.623 1.00 0.00 C ATOM 1162 NE ARG B 20 100.755 -9.291 41.206 1.00 0.00 N ATOM 1163 CZ ARG B 20 101.071 -8.763 42.357 1.00 0.00 C ATOM 1164 NH1 ARG B 20 102.132 -9.175 42.994 1.00 0.00 N ATOM 1165 NH2 ARG B 20 100.330 -7.820 42.868 1.00 0.00 N ATOM 0 H ARG B 20 99.536 -13.487 39.329 1.00 0.00 H new ATOM 0 HA ARG B 20 100.590 -12.147 37.053 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.801 -12.950 39.750 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.627 -11.903 38.613 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.683 -10.316 38.664 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.857 -11.363 39.801 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.836 -11.115 41.386 1.00 0.00 H new ATOM 0 HD3 ARG B 20 102.543 -9.966 40.268 1.00 0.00 H new ATOM 0 HE ARG B 20 99.930 -8.962 40.704 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.715 -9.910 42.593 1.00 0.00 H new ATOM 0 HH12 ARG B 20 102.379 -8.762 43.894 1.00 0.00 H new ATOM 0 HH21 ARG B 20 99.503 -7.494 42.368 1.00 0.00 H new ATOM 0 HH22 ARG B 20 100.578 -7.408 43.768 1.00 0.00 H new ATOM 1179 N ALA B 21 101.962 -15.072 37.714 1.00 0.00 N ATOM 1180 CA ALA B 21 102.857 -16.102 37.111 1.00 0.00 C ATOM 1181 C ALA B 21 102.316 -16.519 35.742 1.00 0.00 C ATOM 1182 O ALA B 21 103.059 -16.683 34.795 1.00 0.00 O ATOM 1183 CB ALA B 21 102.921 -17.328 38.027 1.00 0.00 C ATOM 0 H ALA B 21 101.506 -15.347 38.584 1.00 0.00 H new ATOM 0 HA ALA B 21 103.856 -15.683 36.993 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.575 -18.079 37.584 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.312 -17.034 39.001 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.921 -17.744 38.148 1.00 0.00 H new ATOM 1189 N MET B 22 101.030 -16.698 35.633 1.00 0.00 N ATOM 1190 CA MET B 22 100.443 -17.110 34.328 1.00 0.00 C ATOM 1191 C MET B 22 100.643 -15.994 33.302 1.00 0.00 C ATOM 1192 O MET B 22 100.962 -16.241 32.158 1.00 0.00 O ATOM 1193 CB MET B 22 98.950 -17.385 34.520 1.00 0.00 C ATOM 1194 CG MET B 22 98.331 -17.833 33.194 1.00 0.00 C ATOM 1195 SD MET B 22 96.667 -18.479 33.495 1.00 0.00 S ATOM 1196 CE MET B 22 95.946 -16.965 34.172 1.00 0.00 C ATOM 0 H MET B 22 100.359 -16.577 36.392 1.00 0.00 H new ATOM 0 HA MET B 22 100.935 -18.013 33.967 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.807 -18.156 35.277 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.449 -16.487 34.881 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.287 -16.995 32.499 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.952 -18.599 32.731 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.859 -17.023 34.116 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.250 -16.851 35.213 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.294 -16.107 33.596 1.00 0.00 H new ATOM 1206 N ALA B 23 100.471 -14.768 33.704 1.00 0.00 N ATOM 1207 CA ALA B 23 100.664 -13.643 32.748 1.00 0.00 C ATOM 1208 C ALA B 23 102.126 -13.600 32.302 1.00 0.00 C ATOM 1209 O ALA B 23 102.429 -13.394 31.143 1.00 0.00 O ATOM 1210 CB ALA B 23 100.305 -12.326 33.439 1.00 0.00 C ATOM 0 H ALA B 23 100.206 -14.495 34.650 1.00 0.00 H new ATOM 0 HA ALA B 23 100.023 -13.788 31.879 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.445 -11.500 32.742 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.264 -12.356 33.762 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.950 -12.183 34.306 1.00 0.00 H new ATOM 1216 N SER B 24 103.035 -13.784 33.219 1.00 0.00 N ATOM 1217 CA SER B 24 104.483 -13.747 32.858 1.00 0.00 C ATOM 1218 C SER B 24 104.849 -14.942 31.973 1.00 0.00 C ATOM 1219 O SER B 24 105.613 -14.821 31.037 1.00 0.00 O ATOM 1220 CB SER B 24 105.322 -13.797 34.136 1.00 0.00 C ATOM 1221 OG SER B 24 105.107 -12.610 34.887 1.00 0.00 O ATOM 0 H SER B 24 102.839 -13.959 34.205 1.00 0.00 H new ATOM 0 HA SER B 24 104.683 -12.827 32.309 1.00 0.00 H new ATOM 0 HB2 SER B 24 105.050 -14.670 34.729 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.379 -13.897 33.887 1.00 0.00 H new ATOM 0 HG SER B 24 104.274 -12.692 35.397 1.00 0.00 H new ATOM 1227 N ASP B 25 104.324 -16.098 32.270 1.00 0.00 N ATOM 1228 CA ASP B 25 104.662 -17.300 31.453 1.00 0.00 C ATOM 1229 C ASP B 25 104.224 -17.087 30.005 1.00 0.00 C ATOM 1230 O ASP B 25 104.917 -17.455 29.077 1.00 0.00 O ATOM 1231 CB ASP B 25 103.951 -18.527 32.024 1.00 0.00 C ATOM 1232 CG ASP B 25 104.308 -19.757 31.184 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.728 -19.912 30.122 1.00 0.00 O ATOM 1234 OD2 ASP B 25 105.157 -20.519 31.616 1.00 0.00 O ATOM 0 H ASP B 25 103.677 -16.264 33.041 1.00 0.00 H new ATOM 0 HA ASP B 25 105.740 -17.457 31.483 1.00 0.00 H new ATOM 0 HB2 ASP B 25 104.247 -18.683 33.061 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.872 -18.371 32.020 1.00 0.00 H new ATOM 1239 N PHE B 26 103.075 -16.497 29.804 1.00 0.00 N ATOM 1240 CA PHE B 26 102.576 -16.257 28.416 1.00 0.00 C ATOM 1241 C PHE B 26 102.886 -14.818 27.999 1.00 0.00 C ATOM 1242 O PHE B 26 102.559 -14.396 26.908 1.00 0.00 O ATOM 1243 CB PHE B 26 101.062 -16.481 28.377 1.00 0.00 C ATOM 1244 CG PHE B 26 100.766 -17.960 28.470 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.617 -18.572 29.722 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.639 -18.721 27.301 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.341 -19.942 29.801 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.363 -20.091 27.382 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.214 -20.701 28.632 1.00 0.00 C ATOM 0 H PHE B 26 102.457 -16.169 30.546 1.00 0.00 H new ATOM 0 HA PHE B 26 103.068 -16.946 27.730 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.585 -15.952 29.202 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.648 -16.074 27.455 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.715 -17.987 30.625 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.754 -18.250 26.336 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.226 -20.414 30.766 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.265 -20.677 26.480 1.00 0.00 H new ATOM 0 HZ PHE B 26 100.001 -21.758 28.695 1.00 0.00 H new ATOM 1259 N ASN B 27 103.514 -14.065 28.861 1.00 0.00 N ATOM 1260 CA ASN B 27 103.849 -12.652 28.520 1.00 0.00 C ATOM 1261 C ASN B 27 102.586 -11.909 28.075 1.00 0.00 C ATOM 1262 O ASN B 27 102.583 -11.219 27.074 1.00 0.00 O ATOM 1263 CB ASN B 27 104.891 -12.620 27.399 1.00 0.00 C ATOM 1264 CG ASN B 27 106.232 -13.130 27.934 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.762 -14.109 27.447 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.811 -12.496 28.919 1.00 0.00 N ATOM 0 H ASN B 27 103.810 -14.368 29.789 1.00 0.00 H new ATOM 0 HA ASN B 27 104.259 -12.162 29.403 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.562 -13.238 26.564 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.001 -11.604 27.019 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.708 -12.823 29.279 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.366 -11.674 29.328 1.00 0.00 H new ATOM 1273 N LEU B 28 101.515 -12.039 28.820 1.00 0.00 N ATOM 1274 CA LEU B 28 100.238 -11.340 28.466 1.00 0.00 C ATOM 1275 C LEU B 28 99.901 -10.355 29.590 1.00 0.00 C ATOM 1276 O LEU B 28 100.254 -10.579 30.730 1.00 0.00 O ATOM 1277 CB LEU B 28 99.105 -12.370 28.364 1.00 0.00 C ATOM 1278 CG LEU B 28 99.310 -13.284 27.142 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.444 -14.538 27.294 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.906 -12.554 25.850 1.00 0.00 C ATOM 0 H LEU B 28 101.470 -12.605 29.667 1.00 0.00 H new ATOM 0 HA LEU B 28 100.349 -10.819 27.515 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.070 -12.971 29.273 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.146 -11.857 28.284 1.00 0.00 H new ATOM 0 HG LEU B 28 100.364 -13.557 27.084 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.588 -15.186 26.430 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.732 -15.072 28.200 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.395 -14.250 27.361 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.057 -13.215 24.996 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.855 -12.269 25.906 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.519 -11.660 25.730 1.00 0.00 H new ATOM 1292 N PRO B 29 99.216 -9.276 29.293 1.00 0.00 N ATOM 1293 CA PRO B 29 98.837 -8.281 30.334 1.00 0.00 C ATOM 1294 C PRO B 29 97.794 -8.868 31.294 1.00 0.00 C ATOM 1295 O PRO B 29 97.133 -9.837 30.975 1.00 0.00 O ATOM 1296 CB PRO B 29 98.257 -7.107 29.527 1.00 0.00 C ATOM 1297 CG PRO B 29 97.774 -7.722 28.253 1.00 0.00 C ATOM 1298 CD PRO B 29 98.730 -8.879 27.956 1.00 0.00 C ATOM 0 HA PRO B 29 99.677 -7.980 30.960 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.443 -6.621 30.065 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.013 -6.346 29.337 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.749 -8.079 28.356 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.778 -6.994 27.442 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.221 -9.701 27.453 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.549 -8.567 27.308 1.00 0.00 H new ATOM 1306 N PRO B 30 97.656 -8.300 32.460 1.00 0.00 N ATOM 1307 CA PRO B 30 96.683 -8.792 33.480 1.00 0.00 C ATOM 1308 C PRO B 30 95.254 -8.867 32.924 1.00 0.00 C ATOM 1309 O PRO B 30 94.394 -9.512 33.482 1.00 0.00 O ATOM 1310 CB PRO B 30 96.781 -7.754 34.623 1.00 0.00 C ATOM 1311 CG PRO B 30 97.485 -6.571 34.028 1.00 0.00 C ATOM 1312 CD PRO B 30 98.396 -7.127 32.940 1.00 0.00 C ATOM 0 HA PRO B 30 96.913 -9.806 33.807 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.792 -7.479 34.990 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.335 -8.155 35.471 1.00 0.00 H new ATOM 0 HG2 PRO B 30 96.771 -5.860 33.613 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.061 -6.039 34.785 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.564 -6.402 32.144 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.375 -7.400 33.334 1.00 0.00 H new ATOM 1320 N VAL B 31 94.987 -8.204 31.837 1.00 0.00 N ATOM 1321 CA VAL B 31 93.607 -8.236 31.281 1.00 0.00 C ATOM 1322 C VAL B 31 93.213 -9.675 30.940 1.00 0.00 C ATOM 1323 O VAL B 31 92.165 -10.149 31.333 1.00 0.00 O ATOM 1324 CB VAL B 31 93.568 -7.367 30.020 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.241 -7.562 29.276 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.725 -5.898 30.421 1.00 0.00 C ATOM 0 H VAL B 31 95.659 -7.644 31.311 1.00 0.00 H new ATOM 0 HA VAL B 31 92.901 -7.851 32.017 1.00 0.00 H new ATOM 0 HB VAL B 31 94.382 -7.660 29.357 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.230 -6.938 28.383 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.135 -8.608 28.989 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.414 -7.279 29.927 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.698 -5.272 29.529 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.911 -5.614 31.088 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.678 -5.760 30.932 1.00 0.00 H new ATOM 1336 N VAL B 32 94.039 -10.382 30.229 1.00 0.00 N ATOM 1337 CA VAL B 32 93.691 -11.790 29.893 1.00 0.00 C ATOM 1338 C VAL B 32 93.748 -12.637 31.165 1.00 0.00 C ATOM 1339 O VAL B 32 92.880 -13.445 31.429 1.00 0.00 O ATOM 1340 CB VAL B 32 94.679 -12.331 28.855 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.484 -13.843 28.691 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.430 -11.640 27.514 1.00 0.00 C ATOM 0 H VAL B 32 94.934 -10.052 29.867 1.00 0.00 H new ATOM 0 HA VAL B 32 92.685 -11.832 29.476 1.00 0.00 H new ATOM 0 HB VAL B 32 95.698 -12.134 29.189 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.189 -14.223 27.952 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.658 -14.338 29.646 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.466 -14.045 28.358 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.131 -12.022 26.772 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.410 -11.839 27.186 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.571 -10.565 27.627 1.00 0.00 H new ATOM 1352 N ALA B 33 94.769 -12.457 31.954 1.00 0.00 N ATOM 1353 CA ALA B 33 94.890 -13.249 33.209 1.00 0.00 C ATOM 1354 C ALA B 33 93.734 -12.907 34.156 1.00 0.00 C ATOM 1355 O ALA B 33 93.148 -13.776 34.770 1.00 0.00 O ATOM 1356 CB ALA B 33 96.226 -12.932 33.885 1.00 0.00 C ATOM 0 H ALA B 33 95.526 -11.795 31.784 1.00 0.00 H new ATOM 0 HA ALA B 33 94.848 -14.312 32.970 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.315 -13.511 34.804 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.044 -13.190 33.213 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.271 -11.869 34.121 1.00 0.00 H new ATOM 1362 N LYS B 34 93.396 -11.652 34.280 1.00 0.00 N ATOM 1363 CA LYS B 34 92.277 -11.279 35.188 1.00 0.00 C ATOM 1364 C LYS B 34 90.968 -11.881 34.668 1.00 0.00 C ATOM 1365 O LYS B 34 90.142 -12.348 35.429 1.00 0.00 O ATOM 1366 CB LYS B 34 92.159 -9.751 35.256 1.00 0.00 C ATOM 1367 CG LYS B 34 93.356 -9.151 36.021 1.00 0.00 C ATOM 1368 CD LYS B 34 93.140 -9.247 37.539 1.00 0.00 C ATOM 1369 CE LYS B 34 94.225 -8.441 38.257 1.00 0.00 C ATOM 1370 NZ LYS B 34 93.874 -8.308 39.697 1.00 0.00 N ATOM 0 H LYS B 34 93.844 -10.874 33.795 1.00 0.00 H new ATOM 0 HA LYS B 34 92.475 -11.668 36.187 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.120 -9.338 34.248 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.228 -9.474 35.750 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.270 -9.678 35.746 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.490 -8.108 35.734 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.153 -8.865 37.802 1.00 0.00 H new ATOM 0 HD3 LYS B 34 93.174 -10.289 37.857 1.00 0.00 H new ATOM 0 HE2 LYS B 34 95.190 -8.936 38.151 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.321 -7.455 37.803 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.611 -7.760 40.185 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.961 -7.818 39.788 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.804 -9.253 40.126 1.00 0.00 H new ATOM 1384 N GLU B 35 90.765 -11.867 33.378 1.00 0.00 N ATOM 1385 CA GLU B 35 89.502 -12.431 32.821 1.00 0.00 C ATOM 1386 C GLU B 35 89.404 -13.921 33.157 1.00 0.00 C ATOM 1387 O GLU B 35 88.350 -14.419 33.498 1.00 0.00 O ATOM 1388 CB GLU B 35 89.488 -12.253 31.299 1.00 0.00 C ATOM 1389 CG GLU B 35 88.074 -12.505 30.758 1.00 0.00 C ATOM 1390 CD GLU B 35 87.768 -14.003 30.802 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.577 -14.769 30.304 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.731 -14.357 31.336 1.00 0.00 O ATOM 0 H GLU B 35 91.416 -11.491 32.689 1.00 0.00 H new ATOM 0 HA GLU B 35 88.654 -11.906 33.260 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.812 -11.245 31.039 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.193 -12.944 30.837 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.343 -11.957 31.352 1.00 0.00 H new ATOM 0 HG3 GLU B 35 87.994 -12.137 29.735 1.00 0.00 H new ATOM 1399 N ILE B 36 90.491 -14.637 33.071 1.00 0.00 N ATOM 1400 CA ILE B 36 90.444 -16.092 33.391 1.00 0.00 C ATOM 1401 C ILE B 36 90.010 -16.249 34.846 1.00 0.00 C ATOM 1402 O ILE B 36 89.224 -17.112 35.188 1.00 0.00 O ATOM 1403 CB ILE B 36 91.830 -16.707 33.170 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.126 -16.734 31.666 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.859 -18.138 33.718 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.608 -17.028 31.434 1.00 0.00 C ATOM 0 H ILE B 36 91.406 -14.280 32.794 1.00 0.00 H new ATOM 0 HA ILE B 36 89.734 -16.606 32.743 1.00 0.00 H new ATOM 0 HB ILE B 36 92.580 -16.111 33.689 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.515 -17.494 31.180 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.861 -15.777 31.217 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.847 -18.569 33.558 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.638 -18.123 34.785 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.112 -18.741 33.201 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.812 -17.046 30.363 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.211 -16.252 31.905 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.859 -17.996 31.867 1.00 0.00 H new ATOM 1418 N VAL B 37 90.503 -15.401 35.702 1.00 0.00 N ATOM 1419 CA VAL B 37 90.114 -15.469 37.134 1.00 0.00 C ATOM 1420 C VAL B 37 88.607 -15.219 37.234 1.00 0.00 C ATOM 1421 O VAL B 37 87.908 -15.852 38.000 1.00 0.00 O ATOM 1422 CB VAL B 37 90.874 -14.394 37.922 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.307 -14.284 39.341 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.357 -14.770 37.989 1.00 0.00 C ATOM 0 H VAL B 37 91.163 -14.659 35.469 1.00 0.00 H new ATOM 0 HA VAL B 37 90.358 -16.447 37.548 1.00 0.00 H new ATOM 0 HB VAL B 37 90.761 -13.433 37.420 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.853 -13.519 39.893 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.252 -14.013 39.291 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.412 -15.242 39.850 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.901 -14.008 38.548 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.466 -15.733 38.487 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.762 -14.836 36.979 1.00 0.00 H new ATOM 1434 N ALA B 38 88.108 -14.300 36.455 1.00 0.00 N ATOM 1435 CA ALA B 38 86.649 -13.993 36.484 1.00 0.00 C ATOM 1436 C ALA B 38 85.864 -15.178 35.911 1.00 0.00 C ATOM 1437 O ALA B 38 84.740 -15.431 36.295 1.00 0.00 O ATOM 1438 CB ALA B 38 86.375 -12.746 35.640 1.00 0.00 C ATOM 0 H ALA B 38 88.652 -13.744 35.795 1.00 0.00 H new ATOM 0 HA ALA B 38 86.336 -13.814 37.513 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.309 -12.520 35.660 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.932 -11.902 36.046 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.688 -12.927 34.612 1.00 0.00 H new ATOM 1444 N SER B 39 86.439 -15.902 34.989 1.00 0.00 N ATOM 1445 CA SER B 39 85.711 -17.061 34.395 1.00 0.00 C ATOM 1446 C SER B 39 85.634 -18.195 35.418 1.00 0.00 C ATOM 1447 O SER B 39 84.624 -18.857 35.547 1.00 0.00 O ATOM 1448 CB SER B 39 86.452 -17.552 33.153 1.00 0.00 C ATOM 1449 OG SER B 39 86.387 -16.553 32.145 1.00 0.00 O ATOM 0 H SER B 39 87.377 -15.742 34.622 1.00 0.00 H new ATOM 0 HA SER B 39 84.704 -16.749 34.118 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.491 -17.771 33.398 1.00 0.00 H new ATOM 0 HB3 SER B 39 86.007 -18.479 32.792 1.00 0.00 H new ATOM 0 HG SER B 39 86.900 -15.768 32.429 1.00 0.00 H new ATOM 1455 N CYS B 40 86.688 -18.419 36.152 1.00 0.00 N ATOM 1456 CA CYS B 40 86.664 -19.507 37.170 1.00 0.00 C ATOM 1457 C CYS B 40 85.839 -19.040 38.373 1.00 0.00 C ATOM 1458 O CYS B 40 86.236 -18.159 39.109 1.00 0.00 O ATOM 1459 CB CYS B 40 88.097 -19.828 37.601 1.00 0.00 C ATOM 1460 SG CYS B 40 88.125 -21.381 38.531 1.00 0.00 S ATOM 0 H CYS B 40 87.563 -17.898 36.092 1.00 0.00 H new ATOM 0 HA CYS B 40 86.213 -20.407 36.751 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.741 -19.907 36.725 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.492 -19.019 38.215 1.00 0.00 H new ATOM 0 HG CYS B 40 89.268 -21.973 38.352 1.00 0.00 H new ATOM 1465 N ASP B 41 84.680 -19.614 38.560 1.00 0.00 N ATOM 1466 CA ASP B 41 83.802 -19.200 39.696 1.00 0.00 C ATOM 1467 C ASP B 41 84.505 -19.418 41.037 1.00 0.00 C ATOM 1468 O ASP B 41 84.390 -18.618 41.944 1.00 0.00 O ATOM 1469 CB ASP B 41 82.516 -20.031 39.663 1.00 0.00 C ATOM 1470 CG ASP B 41 81.628 -19.555 38.513 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.914 -19.913 37.383 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.672 -18.845 38.782 1.00 0.00 O ATOM 0 H ASP B 41 84.301 -20.356 37.972 1.00 0.00 H new ATOM 0 HA ASP B 41 83.573 -18.139 39.591 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.756 -21.087 39.538 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.985 -19.935 40.610 1.00 0.00 H new ATOM 1477 N LYS B 42 85.215 -20.500 41.181 1.00 0.00 N ATOM 1478 CA LYS B 42 85.900 -20.767 42.478 1.00 0.00 C ATOM 1479 C LYS B 42 86.895 -19.645 42.783 1.00 0.00 C ATOM 1480 O LYS B 42 87.026 -19.211 43.911 1.00 0.00 O ATOM 1481 CB LYS B 42 86.632 -22.107 42.396 1.00 0.00 C ATOM 1482 CG LYS B 42 85.600 -23.235 42.339 1.00 0.00 C ATOM 1483 CD LYS B 42 86.312 -24.584 42.259 1.00 0.00 C ATOM 1484 CE LYS B 42 85.270 -25.705 42.202 1.00 0.00 C ATOM 1485 NZ LYS B 42 85.958 -27.015 42.017 1.00 0.00 N ATOM 0 H LYS B 42 85.351 -21.210 40.461 1.00 0.00 H new ATOM 0 HA LYS B 42 85.161 -20.807 43.278 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.269 -22.135 41.512 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.282 -22.235 43.262 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.962 -23.202 43.222 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.952 -23.104 41.473 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.950 -24.620 41.376 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.960 -24.718 43.125 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.683 -25.717 43.120 1.00 0.00 H new ATOM 0 HE3 LYS B 42 84.575 -25.528 41.381 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 85.250 -27.776 41.978 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 86.500 -27.000 41.129 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 86.604 -27.183 42.814 1.00 0.00 H new ATOM 1499 N CYS B 43 87.599 -19.168 41.793 1.00 0.00 N ATOM 1500 CA CYS B 43 88.580 -18.074 42.042 1.00 0.00 C ATOM 1501 C CYS B 43 87.843 -16.743 42.219 1.00 0.00 C ATOM 1502 O CYS B 43 88.287 -15.864 42.930 1.00 0.00 O ATOM 1503 CB CYS B 43 89.521 -17.929 40.843 1.00 0.00 C ATOM 1504 SG CYS B 43 90.340 -19.501 40.499 1.00 0.00 S ATOM 0 H CYS B 43 87.538 -19.487 40.826 1.00 0.00 H new ATOM 0 HA CYS B 43 89.145 -18.321 42.941 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.959 -17.604 39.967 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.266 -17.160 41.047 1.00 0.00 H new ATOM 0 HG CYS B 43 89.554 -20.253 39.788 1.00 0.00 H new ATOM 1509 N GLN B 44 86.737 -16.575 41.544 1.00 0.00 N ATOM 1510 CA GLN B 44 85.990 -15.286 41.634 1.00 0.00 C ATOM 1511 C GLN B 44 85.159 -15.223 42.917 1.00 0.00 C ATOM 1512 O GLN B 44 85.454 -14.467 43.821 1.00 0.00 O ATOM 1513 CB GLN B 44 85.053 -15.176 40.425 1.00 0.00 C ATOM 1514 CG GLN B 44 84.317 -13.834 40.448 1.00 0.00 C ATOM 1515 CD GLN B 44 83.390 -13.743 39.236 1.00 0.00 C ATOM 1516 OE1 GLN B 44 83.595 -14.523 38.210 1.00 0.00 O flip ATOM 1517 NE2 GLN B 44 82.464 -12.957 39.223 1.00 0.00 N flip ATOM 0 H GLN B 44 86.318 -17.276 40.933 1.00 0.00 H new ATOM 0 HA GLN B 44 86.706 -14.464 41.645 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.625 -15.269 39.502 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.333 -15.994 40.438 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.741 -13.738 41.368 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.034 -13.013 40.434 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.302 -12.346 40.024 1.00 0.00 H new ATOM 0 HE22 GLN B 44 81.848 -12.908 38.411 1.00 0.00 H new