USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 GLN : amide:sc= -6.67! C(o=-9.6!,f=-9.4!) USER MOD Set 1.2: B 44 GLN : amide:sc= -2.98! C(o=-9.6!,f=-9.4!) USER MOD Single : A 1 PHE N :NH3+ 153:sc= 0.959 (180deg=0.326) USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= -0.0762 (180deg=-0.479) USER MOD Single : A 9 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= -0.0167 (180deg=-0.345) USER MOD Single : A 15 TYR OH : rot -39:sc= 1.17 USER MOD Single : A 16 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.16) USER MOD Single : A 17 SER OG : rot -43:sc= 0.213 USER MOD Single : A 18 ASN : amide:sc= -0.0447 K(o=-0.045,f=-1.8!) USER MOD Single : A 22 MET CE :methyl -152:sc= -0.165 (180deg=-1.21) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.0258 F(o=-1.1,f=-0.026) USER MOD Single : A 34 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0167) USER MOD Single : A 39 SER OG : rot 66:sc= 0.315 USER MOD Single : A 42 LYS NZ :NH3+ -133:sc= -0.0689 (180deg=-0.555) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -1 K(o=-1,f=-2.1) USER MOD Single : A 53 GLN : amide:sc= -0.275 X(o=-0.27,f=-0.69) USER MOD Single : B 1 PHE N :NH3+ 147:sc= 0.978 (180deg=0.385) USER MOD Single : B 7 LYS NZ :NH3+ 162:sc= -0.0415 (180deg=-0.49) USER MOD Single : B 9 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : B 14 LYS NZ :NH3+ -163:sc= -0.0228 (180deg=-0.356) USER MOD Single : B 15 TYR OH : rot -39:sc= 1.19 USER MOD Single : B 16 HIS : no HD1:sc= -0.276 X(o=-0.28,f=-0.18) USER MOD Single : B 17 SER OG : rot -44:sc= 0.208 USER MOD Single : B 18 ASN : amide:sc= -0.0195 K(o=-0.019,f=-1.9!) USER MOD Single : B 22 MET CE :methyl -158:sc= -0.132 (180deg=-1.2) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN :FLIP amide:sc= -0.0209 F(o=-1.2,f=-0.021) USER MOD Single : B 34 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0141) USER MOD Single : B 39 SER OG : rot 68:sc= 0.3 USER MOD Single : B 42 LYS NZ :NH3+ -159:sc= -0.0387 (180deg=-0.531) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= -0.973 K(o=-0.97,f=-2!) USER MOD Single : B 53 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.406 -4.766 23.817 1.00 0.00 N ATOM 2 CA PHE A 1 95.138 -4.063 25.104 1.00 0.00 C ATOM 3 C PHE A 1 95.270 -2.554 24.892 1.00 0.00 C ATOM 4 O PHE A 1 96.352 -2.039 24.691 1.00 0.00 O ATOM 5 CB PHE A 1 96.140 -4.535 26.162 1.00 0.00 C ATOM 6 CG PHE A 1 96.342 -6.030 26.030 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.299 -6.909 26.350 1.00 0.00 C ATOM 8 CD2 PHE A 1 97.569 -6.538 25.578 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.483 -8.291 26.222 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.751 -7.921 25.450 1.00 0.00 C ATOM 11 CZ PHE A 1 96.708 -8.797 25.772 1.00 0.00 C ATOM 0 H1 PHE A 1 95.766 -5.722 24.012 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.525 -4.833 23.268 1.00 0.00 H new ATOM 0 H3 PHE A 1 96.114 -4.234 23.272 1.00 0.00 H new ATOM 0 HA PHE A 1 94.128 -4.290 25.446 1.00 0.00 H new ATOM 0 HB2 PHE A 1 97.090 -4.016 26.036 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.774 -4.293 27.160 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.353 -6.520 26.696 1.00 0.00 H new ATOM 0 HD2 PHE A 1 98.374 -5.862 25.329 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.679 -8.967 26.471 1.00 0.00 H new ATOM 0 HE2 PHE A 1 98.696 -8.311 25.103 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.848 -9.863 25.673 1.00 0.00 H new ATOM 23 N LEU A 2 94.170 -1.845 24.917 1.00 0.00 N ATOM 24 CA LEU A 2 94.212 -0.367 24.701 1.00 0.00 C ATOM 25 C LEU A 2 94.111 0.379 26.026 1.00 0.00 C ATOM 26 O LEU A 2 93.322 0.048 26.876 1.00 0.00 O ATOM 27 CB LEU A 2 93.039 0.051 23.807 1.00 0.00 C ATOM 28 CG LEU A 2 93.098 -0.695 22.468 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.913 -0.257 21.600 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.417 -0.375 21.739 1.00 0.00 C ATOM 0 H LEU A 2 93.239 -2.229 25.079 1.00 0.00 H new ATOM 0 HA LEU A 2 95.160 -0.117 24.226 1.00 0.00 H new ATOM 0 HB2 LEU A 2 92.096 -0.163 24.309 1.00 0.00 H new ATOM 0 HB3 LEU A 2 93.070 1.127 23.633 1.00 0.00 H new ATOM 0 HG LEU A 2 93.049 -1.769 22.650 1.00 0.00 H new ATOM 0 HD11 LEU A 2 91.947 -0.783 20.646 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.980 -0.494 22.112 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.968 0.817 21.425 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.447 -0.910 20.790 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.479 0.697 21.553 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.259 -0.685 22.358 1.00 0.00 H new ATOM 42 N ASP A 3 94.894 1.407 26.189 1.00 0.00 N ATOM 43 CA ASP A 3 94.824 2.198 27.446 1.00 0.00 C ATOM 44 C ASP A 3 93.404 2.749 27.564 1.00 0.00 C ATOM 45 O ASP A 3 92.828 2.798 28.632 1.00 0.00 O ATOM 46 CB ASP A 3 95.825 3.356 27.396 1.00 0.00 C ATOM 47 CG ASP A 3 95.740 4.158 28.696 1.00 0.00 C ATOM 48 OD1 ASP A 3 94.884 3.847 29.507 1.00 0.00 O ATOM 49 OD2 ASP A 3 96.540 5.065 28.863 1.00 0.00 O ATOM 0 H ASP A 3 95.579 1.733 25.507 1.00 0.00 H new ATOM 0 HA ASP A 3 95.069 1.572 28.304 1.00 0.00 H new ATOM 0 HB2 ASP A 3 96.836 2.972 27.258 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.610 4.000 26.544 1.00 0.00 H new ATOM 54 N GLY A 4 92.833 3.149 26.457 1.00 0.00 N ATOM 55 CA GLY A 4 91.439 3.682 26.477 1.00 0.00 C ATOM 56 C GLY A 4 90.537 2.706 27.235 1.00 0.00 C ATOM 57 O GLY A 4 89.401 3.008 27.546 1.00 0.00 O ATOM 0 H GLY A 4 93.274 3.129 25.538 1.00 0.00 H new ATOM 0 HA2 GLY A 4 91.418 4.661 26.955 1.00 0.00 H new ATOM 0 HA3 GLY A 4 91.074 3.817 25.459 1.00 0.00 H new ATOM 61 N ILE A 5 91.040 1.543 27.549 1.00 0.00 N ATOM 62 CA ILE A 5 90.226 0.551 28.302 1.00 0.00 C ATOM 63 C ILE A 5 89.793 1.186 29.628 1.00 0.00 C ATOM 64 O ILE A 5 88.704 0.951 30.113 1.00 0.00 O ATOM 65 CB ILE A 5 91.075 -0.716 28.535 1.00 0.00 C ATOM 66 CG1 ILE A 5 91.066 -1.570 27.259 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.522 -1.535 29.709 1.00 0.00 C ATOM 68 CD1 ILE A 5 92.156 -2.642 27.347 1.00 0.00 C ATOM 0 H ILE A 5 91.984 1.237 27.314 1.00 0.00 H new ATOM 0 HA ILE A 5 89.334 0.267 27.744 1.00 0.00 H new ATOM 0 HB ILE A 5 92.095 -0.417 28.777 1.00 0.00 H new ATOM 0 HG12 ILE A 5 90.091 -2.039 27.131 1.00 0.00 H new ATOM 0 HG13 ILE A 5 91.233 -0.939 26.386 1.00 0.00 H new ATOM 0 HG21 ILE A 5 91.137 -2.423 29.854 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.539 -0.929 30.615 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.497 -1.835 29.493 1.00 0.00 H new ATOM 0 HD11 ILE A 5 92.146 -3.246 26.440 1.00 0.00 H new ATOM 0 HD12 ILE A 5 93.129 -2.163 27.454 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.969 -3.281 28.210 1.00 0.00 H new ATOM 80 N ASP A 6 90.622 2.010 30.202 1.00 0.00 N ATOM 81 CA ASP A 6 90.245 2.682 31.478 1.00 0.00 C ATOM 82 C ASP A 6 88.984 3.520 31.244 1.00 0.00 C ATOM 83 O ASP A 6 88.100 3.583 32.074 1.00 0.00 O ATOM 84 CB ASP A 6 91.389 3.591 31.935 1.00 0.00 C ATOM 85 CG ASP A 6 91.006 4.285 33.245 1.00 0.00 C ATOM 86 OD1 ASP A 6 89.850 4.196 33.624 1.00 0.00 O ATOM 87 OD2 ASP A 6 91.876 4.895 33.845 1.00 0.00 O ATOM 0 H ASP A 6 91.546 2.249 29.843 1.00 0.00 H new ATOM 0 HA ASP A 6 90.053 1.934 32.248 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.298 3.005 32.075 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.604 4.335 31.168 1.00 0.00 H new ATOM 92 N LYS A 7 88.904 4.167 30.114 1.00 0.00 N ATOM 93 CA LYS A 7 87.715 5.012 29.801 1.00 0.00 C ATOM 94 C LYS A 7 86.454 4.142 29.802 1.00 0.00 C ATOM 95 O LYS A 7 85.398 4.562 30.232 1.00 0.00 O ATOM 96 CB LYS A 7 87.907 5.648 28.421 1.00 0.00 C ATOM 97 CG LYS A 7 86.744 6.593 28.108 1.00 0.00 C ATOM 98 CD LYS A 7 86.973 7.230 26.734 1.00 0.00 C ATOM 99 CE LYS A 7 85.810 8.165 26.393 1.00 0.00 C ATOM 100 NZ LYS A 7 85.748 9.273 27.388 1.00 0.00 N ATOM 0 H LYS A 7 89.618 4.147 29.386 1.00 0.00 H new ATOM 0 HA LYS A 7 87.607 5.794 30.552 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.848 6.197 28.393 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.968 4.871 27.660 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.802 6.045 28.116 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.671 7.366 28.873 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.910 7.786 26.733 1.00 0.00 H new ATOM 0 HD3 LYS A 7 87.062 6.454 25.974 1.00 0.00 H new ATOM 0 HE2 LYS A 7 85.939 8.571 25.390 1.00 0.00 H new ATOM 0 HE3 LYS A 7 84.872 7.610 26.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 85.166 10.047 27.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.327 8.923 28.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.709 9.623 27.578 1.00 0.00 H new ATOM 114 N ALA A 8 86.557 2.934 29.322 1.00 0.00 N ATOM 115 CA ALA A 8 85.366 2.036 29.293 1.00 0.00 C ATOM 116 C ALA A 8 84.822 1.861 30.715 1.00 0.00 C ATOM 117 O ALA A 8 83.629 1.776 30.923 1.00 0.00 O ATOM 118 CB ALA A 8 85.771 0.673 28.728 1.00 0.00 C ATOM 0 H ALA A 8 87.415 2.528 28.948 1.00 0.00 H new ATOM 0 HA ALA A 8 84.593 2.476 28.662 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.902 0.015 28.706 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.157 0.799 27.716 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.543 0.233 29.359 1.00 0.00 H new ATOM 124 N GLN A 9 85.683 1.808 31.698 1.00 0.00 N ATOM 125 CA GLN A 9 85.198 1.641 33.099 1.00 0.00 C ATOM 126 C GLN A 9 84.283 2.811 33.472 1.00 0.00 C ATOM 127 O GLN A 9 83.272 2.640 34.124 1.00 0.00 O ATOM 128 CB GLN A 9 86.395 1.610 34.054 1.00 0.00 C ATOM 129 CG GLN A 9 87.165 0.303 33.870 1.00 0.00 C ATOM 130 CD GLN A 9 88.360 0.276 34.825 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.357 1.090 34.622 1.00 0.00 O flip ATOM 132 NE2 GLN A 9 88.382 -0.490 35.768 1.00 0.00 N flip ATOM 0 H GLN A 9 86.695 1.873 31.592 1.00 0.00 H new ATOM 0 HA GLN A 9 84.642 0.707 33.178 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.050 2.460 33.860 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.053 1.700 35.085 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.511 -0.547 34.065 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.508 0.212 32.839 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.601 -1.127 35.926 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.181 -0.496 36.402 1.00 0.00 H new ATOM 141 N GLU A 10 84.630 3.999 33.062 1.00 0.00 N ATOM 142 CA GLU A 10 83.788 5.187 33.388 1.00 0.00 C ATOM 143 C GLU A 10 82.385 5.030 32.794 1.00 0.00 C ATOM 144 O GLU A 10 81.400 5.397 33.403 1.00 0.00 O ATOM 145 CB GLU A 10 84.443 6.446 32.815 1.00 0.00 C ATOM 146 CG GLU A 10 85.717 6.764 33.599 1.00 0.00 C ATOM 147 CD GLU A 10 86.476 7.894 32.901 1.00 0.00 C ATOM 148 OE1 GLU A 10 86.004 8.350 31.872 1.00 0.00 O ATOM 149 OE2 GLU A 10 87.512 8.288 33.409 1.00 0.00 O ATOM 0 H GLU A 10 85.465 4.201 32.512 1.00 0.00 H new ATOM 0 HA GLU A 10 83.704 5.271 34.471 1.00 0.00 H new ATOM 0 HB2 GLU A 10 84.680 6.298 31.761 1.00 0.00 H new ATOM 0 HB3 GLU A 10 83.750 7.286 32.871 1.00 0.00 H new ATOM 0 HG2 GLU A 10 85.466 7.056 34.619 1.00 0.00 H new ATOM 0 HG3 GLU A 10 86.346 5.877 33.667 1.00 0.00 H new ATOM 156 N GLU A 11 82.286 4.512 31.598 1.00 0.00 N ATOM 157 CA GLU A 11 80.945 4.359 30.947 1.00 0.00 C ATOM 158 C GLU A 11 80.388 2.949 31.187 1.00 0.00 C ATOM 159 O GLU A 11 79.330 2.604 30.699 1.00 0.00 O ATOM 160 CB GLU A 11 81.093 4.588 29.441 1.00 0.00 C ATOM 161 CG GLU A 11 81.446 6.053 29.175 1.00 0.00 C ATOM 162 CD GLU A 11 80.236 6.937 29.487 1.00 0.00 C ATOM 163 OE1 GLU A 11 79.129 6.427 29.447 1.00 0.00 O ATOM 164 OE2 GLU A 11 80.439 8.109 29.761 1.00 0.00 O ATOM 0 H GLU A 11 83.076 4.187 31.040 1.00 0.00 H new ATOM 0 HA GLU A 11 80.258 5.088 31.377 1.00 0.00 H new ATOM 0 HB2 GLU A 11 81.870 3.938 29.039 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.165 4.329 28.931 1.00 0.00 H new ATOM 0 HG2 GLU A 11 82.295 6.351 29.790 1.00 0.00 H new ATOM 0 HG3 GLU A 11 81.745 6.182 28.135 1.00 0.00 H new ATOM 171 N CYS A 12 81.085 2.129 31.923 1.00 0.00 N ATOM 172 CA CYS A 12 80.583 0.744 32.174 1.00 0.00 C ATOM 173 C CYS A 12 79.129 0.788 32.654 1.00 0.00 C ATOM 174 O CYS A 12 78.299 0.015 32.219 1.00 0.00 O ATOM 175 CB CYS A 12 81.442 0.073 33.246 1.00 0.00 C ATOM 176 SG CYS A 12 80.835 -1.607 33.543 1.00 0.00 S ATOM 0 H CYS A 12 81.978 2.354 32.361 1.00 0.00 H new ATOM 0 HA CYS A 12 80.639 0.177 31.245 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.484 0.043 32.926 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.408 0.652 34.169 1.00 0.00 H new ATOM 181 N GLU A 13 78.816 1.679 33.554 1.00 0.00 N ATOM 182 CA GLU A 13 77.419 1.762 34.071 1.00 0.00 C ATOM 183 C GLU A 13 76.460 2.059 32.916 1.00 0.00 C ATOM 184 O GLU A 13 75.371 1.525 32.849 1.00 0.00 O ATOM 185 CB GLU A 13 77.333 2.878 35.117 1.00 0.00 C ATOM 186 CG GLU A 13 75.909 2.957 35.680 1.00 0.00 C ATOM 187 CD GLU A 13 75.840 4.063 36.734 1.00 0.00 C ATOM 188 OE1 GLU A 13 76.879 4.623 37.043 1.00 0.00 O ATOM 189 OE2 GLU A 13 74.750 4.334 37.209 1.00 0.00 O ATOM 0 H GLU A 13 79.467 2.354 33.955 1.00 0.00 H new ATOM 0 HA GLU A 13 77.141 0.813 34.529 1.00 0.00 H new ATOM 0 HB2 GLU A 13 78.042 2.688 35.923 1.00 0.00 H new ATOM 0 HB3 GLU A 13 77.609 3.832 34.667 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.200 3.159 34.878 1.00 0.00 H new ATOM 0 HG3 GLU A 13 75.627 2.001 36.121 1.00 0.00 H new ATOM 196 N LYS A 14 76.850 2.912 32.011 1.00 0.00 N ATOM 197 CA LYS A 14 75.957 3.251 30.867 1.00 0.00 C ATOM 198 C LYS A 14 75.687 1.997 30.032 1.00 0.00 C ATOM 199 O LYS A 14 74.612 1.822 29.494 1.00 0.00 O ATOM 200 CB LYS A 14 76.623 4.325 30.000 1.00 0.00 C ATOM 201 CG LYS A 14 75.679 4.728 28.863 1.00 0.00 C ATOM 202 CD LYS A 14 76.332 5.828 28.024 1.00 0.00 C ATOM 203 CE LYS A 14 75.377 6.250 26.906 1.00 0.00 C ATOM 204 NZ LYS A 14 75.208 5.125 25.944 1.00 0.00 N ATOM 0 H LYS A 14 77.751 3.391 32.014 1.00 0.00 H new ATOM 0 HA LYS A 14 75.010 3.633 31.247 1.00 0.00 H new ATOM 0 HB2 LYS A 14 76.869 5.196 30.608 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.560 3.947 29.591 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.455 3.863 28.238 1.00 0.00 H new ATOM 0 HG3 LYS A 14 74.731 5.081 29.270 1.00 0.00 H new ATOM 0 HD2 LYS A 14 76.574 6.685 28.653 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.270 5.469 27.600 1.00 0.00 H new ATOM 0 HE2 LYS A 14 74.411 6.532 27.326 1.00 0.00 H new ATOM 0 HE3 LYS A 14 75.769 7.127 26.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 74.823 5.489 25.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 76.130 4.677 25.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 74.553 4.423 26.343 1.00 0.00 H new ATOM 218 N TYR A 15 76.652 1.124 29.909 1.00 0.00 N ATOM 219 CA TYR A 15 76.440 -0.113 29.099 1.00 0.00 C ATOM 220 C TYR A 15 75.821 -1.205 29.977 1.00 0.00 C ATOM 221 O TYR A 15 75.340 -2.207 29.486 1.00 0.00 O ATOM 222 CB TYR A 15 77.783 -0.596 28.550 1.00 0.00 C ATOM 223 CG TYR A 15 78.292 0.405 27.539 1.00 0.00 C ATOM 224 CD1 TYR A 15 77.679 0.501 26.285 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.369 1.241 27.859 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.144 1.431 25.349 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.833 2.172 26.923 1.00 0.00 C ATOM 228 CZ TYR A 15 79.221 2.267 25.668 1.00 0.00 C ATOM 229 OH TYR A 15 79.678 3.186 24.744 1.00 0.00 O ATOM 0 H TYR A 15 77.575 1.213 30.333 1.00 0.00 H new ATOM 0 HA TYR A 15 75.766 0.107 28.271 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.502 -0.710 29.361 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.669 -1.575 28.085 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.847 -0.143 26.040 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.841 1.167 28.828 1.00 0.00 H new ATOM 0 HE1 TYR A 15 77.672 1.504 24.380 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.663 2.817 27.169 1.00 0.00 H new ATOM 0 HH TYR A 15 79.653 2.789 23.848 1.00 0.00 H new ATOM 239 N HIS A 16 75.819 -1.013 31.269 1.00 0.00 N ATOM 240 CA HIS A 16 75.218 -2.029 32.184 1.00 0.00 C ATOM 241 C HIS A 16 75.920 -3.378 32.010 1.00 0.00 C ATOM 242 O HIS A 16 77.126 -3.452 31.881 1.00 0.00 O ATOM 243 CB HIS A 16 73.725 -2.178 31.877 1.00 0.00 C ATOM 244 CG HIS A 16 73.098 -0.814 31.790 1.00 0.00 C ATOM 245 ND1 HIS A 16 72.818 -0.056 32.919 1.00 0.00 N ATOM 246 CD2 HIS A 16 72.698 -0.054 30.718 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.276 1.104 32.503 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.182 1.154 31.174 1.00 0.00 N ATOM 0 H HIS A 16 76.209 -0.193 31.733 1.00 0.00 H new ATOM 0 HA HIS A 16 75.345 -1.697 33.215 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.587 -2.715 30.939 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.239 -2.766 32.656 1.00 0.00 H new ATOM 0 HD2 HIS A 16 72.773 -0.349 29.682 1.00 0.00 H new ATOM 0 HE1 HIS A 16 71.957 1.896 33.164 1.00 0.00 H new ATOM 0 HE2 HIS A 16 71.810 1.918 30.610 1.00 0.00 H new ATOM 257 N SER A 17 75.172 -4.449 32.019 1.00 0.00 N ATOM 258 CA SER A 17 75.784 -5.802 31.870 1.00 0.00 C ATOM 259 C SER A 17 75.964 -6.141 30.387 1.00 0.00 C ATOM 260 O SER A 17 76.438 -7.206 30.043 1.00 0.00 O ATOM 261 CB SER A 17 74.876 -6.847 32.523 1.00 0.00 C ATOM 262 OG SER A 17 75.606 -8.054 32.703 1.00 0.00 O ATOM 0 H SER A 17 74.157 -4.445 32.124 1.00 0.00 H new ATOM 0 HA SER A 17 76.759 -5.805 32.356 1.00 0.00 H new ATOM 0 HB2 SER A 17 74.513 -6.481 33.483 1.00 0.00 H new ATOM 0 HB3 SER A 17 74.001 -7.027 31.899 1.00 0.00 H new ATOM 0 HG SER A 17 76.136 -8.239 31.899 1.00 0.00 H new ATOM 268 N ASN A 18 75.591 -5.255 29.503 1.00 0.00 N ATOM 269 CA ASN A 18 75.747 -5.553 28.049 1.00 0.00 C ATOM 270 C ASN A 18 77.194 -5.312 27.623 1.00 0.00 C ATOM 271 O ASN A 18 77.531 -4.273 27.089 1.00 0.00 O ATOM 272 CB ASN A 18 74.833 -4.641 27.229 1.00 0.00 C ATOM 273 CG ASN A 18 73.375 -5.038 27.448 1.00 0.00 C ATOM 274 OD1 ASN A 18 73.088 -6.141 27.872 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.433 -4.185 27.157 1.00 0.00 N ATOM 0 H ASN A 18 75.188 -4.344 29.722 1.00 0.00 H new ATOM 0 HA ASN A 18 75.479 -6.595 27.875 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.984 -3.602 27.521 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.085 -4.715 26.171 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.454 -4.443 27.285 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.675 -3.260 26.801 1.00 0.00 H new ATOM 282 N TRP A 19 78.054 -6.267 27.844 1.00 0.00 N ATOM 283 CA TRP A 19 79.474 -6.093 27.440 1.00 0.00 C ATOM 284 C TRP A 19 79.580 -6.155 25.911 1.00 0.00 C ATOM 285 O TRP A 19 80.508 -5.635 25.324 1.00 0.00 O ATOM 286 CB TRP A 19 80.330 -7.198 28.067 1.00 0.00 C ATOM 287 CG TRP A 19 79.869 -8.533 27.583 1.00 0.00 C ATOM 288 CD1 TRP A 19 79.006 -9.343 28.238 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.230 -9.224 26.354 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.820 -10.492 27.489 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.553 -10.465 26.318 1.00 0.00 C ATOM 292 CE3 TRP A 19 81.074 -8.897 25.278 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.707 -11.351 25.253 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.231 -9.785 24.203 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.550 -11.010 24.190 1.00 0.00 C ATOM 0 H TRP A 19 77.834 -7.159 28.287 1.00 0.00 H new ATOM 0 HA TRP A 19 79.835 -5.125 27.788 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.378 -7.049 27.808 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.261 -7.151 29.154 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.539 -9.129 29.188 1.00 0.00 H new ATOM 0 HE1 TRP A 19 78.215 -11.265 27.768 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.605 -7.956 25.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 79.180 -12.293 25.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.880 -9.523 23.381 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.676 -11.690 23.360 1.00 0.00 H new ATOM 306 N ARG A 20 78.638 -6.790 25.261 1.00 0.00 N ATOM 307 CA ARG A 20 78.693 -6.883 23.771 1.00 0.00 C ATOM 308 C ARG A 20 78.673 -5.486 23.155 1.00 0.00 C ATOM 309 O ARG A 20 79.372 -5.207 22.203 1.00 0.00 O ATOM 310 CB ARG A 20 77.493 -7.681 23.260 1.00 0.00 C ATOM 311 CG ARG A 20 77.665 -9.150 23.645 1.00 0.00 C ATOM 312 CD ARG A 20 76.471 -9.963 23.140 1.00 0.00 C ATOM 313 NE ARG A 20 76.660 -11.391 23.515 1.00 0.00 N ATOM 314 CZ ARG A 20 75.658 -12.225 23.455 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.476 -11.804 23.095 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.839 -13.479 23.762 1.00 0.00 N ATOM 0 H ARG A 20 77.836 -7.246 25.696 1.00 0.00 H new ATOM 0 HA ARG A 20 79.616 -7.386 23.484 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.571 -7.287 23.686 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.411 -7.584 22.177 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.589 -9.541 23.219 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.749 -9.244 24.728 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.546 -9.580 23.571 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.382 -9.867 22.058 1.00 0.00 H new ATOM 0 HE ARG A 20 77.576 -11.719 23.820 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.334 -10.822 22.860 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.694 -12.457 23.049 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.762 -13.806 24.048 1.00 0.00 H new ATOM 0 HH22 ARG A 20 75.058 -14.133 23.716 1.00 0.00 H new ATOM 330 N ALA A 21 77.884 -4.600 23.691 1.00 0.00 N ATOM 331 CA ALA A 21 77.833 -3.223 23.132 1.00 0.00 C ATOM 332 C ALA A 21 79.193 -2.558 23.351 1.00 0.00 C ATOM 333 O ALA A 21 79.701 -1.859 22.498 1.00 0.00 O ATOM 334 CB ALA A 21 76.740 -2.419 23.840 1.00 0.00 C ATOM 0 H ALA A 21 77.273 -4.769 24.490 1.00 0.00 H new ATOM 0 HA ALA A 21 77.606 -3.260 22.067 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.705 -1.410 23.428 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.776 -2.905 23.691 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.959 -2.368 24.907 1.00 0.00 H new ATOM 340 N MET A 22 79.789 -2.783 24.490 1.00 0.00 N ATOM 341 CA MET A 22 81.120 -2.177 24.773 1.00 0.00 C ATOM 342 C MET A 22 82.127 -2.663 23.727 1.00 0.00 C ATOM 343 O MET A 22 82.890 -1.895 23.177 1.00 0.00 O ATOM 344 CB MET A 22 81.590 -2.623 26.159 1.00 0.00 C ATOM 345 CG MET A 22 82.820 -1.812 26.573 1.00 0.00 C ATOM 346 SD MET A 22 83.635 -2.619 27.975 1.00 0.00 S ATOM 347 CE MET A 22 82.207 -2.663 29.084 1.00 0.00 C ATOM 0 H MET A 22 79.410 -3.362 25.239 1.00 0.00 H new ATOM 0 HA MET A 22 81.044 -1.090 24.738 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.790 -2.485 26.886 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.831 -3.686 26.147 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.512 -1.729 25.735 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.525 -0.798 26.845 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.549 -2.645 30.119 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.574 -1.796 28.896 1.00 0.00 H new ATOM 0 HE3 MET A 22 81.636 -3.575 28.906 1.00 0.00 H new ATOM 357 N ALA A 23 82.133 -3.941 23.457 1.00 0.00 N ATOM 358 CA ALA A 23 83.089 -4.495 22.454 1.00 0.00 C ATOM 359 C ALA A 23 82.855 -3.832 21.093 1.00 0.00 C ATOM 360 O ALA A 23 83.782 -3.531 20.368 1.00 0.00 O ATOM 361 CB ALA A 23 82.861 -6.004 22.325 1.00 0.00 C ATOM 0 H ALA A 23 81.515 -4.628 23.889 1.00 0.00 H new ATOM 0 HA ALA A 23 84.110 -4.299 22.780 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.556 -6.416 21.593 1.00 0.00 H new ATOM 0 HB2 ALA A 23 83.026 -6.481 23.291 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.838 -6.191 21.998 1.00 0.00 H new ATOM 367 N SER A 24 81.618 -3.617 20.739 1.00 0.00 N ATOM 368 CA SER A 24 81.303 -2.991 19.422 1.00 0.00 C ATOM 369 C SER A 24 81.771 -1.532 19.390 1.00 0.00 C ATOM 370 O SER A 24 82.265 -1.053 18.389 1.00 0.00 O ATOM 371 CB SER A 24 79.795 -3.040 19.185 1.00 0.00 C ATOM 372 OG SER A 24 79.510 -2.590 17.867 1.00 0.00 O ATOM 0 H SER A 24 80.805 -3.850 21.310 1.00 0.00 H new ATOM 0 HA SER A 24 81.824 -3.544 18.640 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.427 -4.057 19.322 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.280 -2.414 19.914 1.00 0.00 H new ATOM 0 HG SER A 24 78.543 -2.622 17.712 1.00 0.00 H new ATOM 378 N ASP A 25 81.598 -0.816 20.465 1.00 0.00 N ATOM 379 CA ASP A 25 82.010 0.618 20.478 1.00 0.00 C ATOM 380 C ASP A 25 83.535 0.734 20.453 1.00 0.00 C ATOM 381 O ASP A 25 84.088 1.582 19.781 1.00 0.00 O ATOM 382 CB ASP A 25 81.475 1.276 21.749 1.00 0.00 C ATOM 383 CG ASP A 25 79.953 1.401 21.656 1.00 0.00 C ATOM 384 OD1 ASP A 25 79.449 1.447 20.546 1.00 0.00 O ATOM 385 OD2 ASP A 25 79.318 1.451 22.696 1.00 0.00 O ATOM 0 H ASP A 25 81.190 -1.159 21.335 1.00 0.00 H new ATOM 0 HA ASP A 25 81.605 1.115 19.596 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.749 0.683 22.622 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.924 2.261 21.879 1.00 0.00 H new ATOM 390 N PHE A 26 84.219 -0.113 21.172 1.00 0.00 N ATOM 391 CA PHE A 26 85.715 -0.063 21.188 1.00 0.00 C ATOM 392 C PHE A 26 86.267 -1.121 20.226 1.00 0.00 C ATOM 393 O PHE A 26 87.462 -1.270 20.069 1.00 0.00 O ATOM 394 CB PHE A 26 86.214 -0.330 22.612 1.00 0.00 C ATOM 395 CG PHE A 26 85.872 0.856 23.489 1.00 0.00 C ATOM 396 CD1 PHE A 26 84.637 0.910 24.147 1.00 0.00 C ATOM 397 CD2 PHE A 26 86.793 1.901 23.647 1.00 0.00 C ATOM 398 CE1 PHE A 26 84.321 2.007 24.958 1.00 0.00 C ATOM 399 CE2 PHE A 26 86.478 2.998 24.459 1.00 0.00 C ATOM 400 CZ PHE A 26 85.242 3.051 25.114 1.00 0.00 C ATOM 0 H PHE A 26 83.807 -0.843 21.753 1.00 0.00 H new ATOM 0 HA PHE A 26 86.059 0.921 20.869 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.754 -1.235 23.008 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.291 -0.496 22.608 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.927 0.105 24.029 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.747 1.860 23.142 1.00 0.00 H new ATOM 0 HE1 PHE A 26 83.367 2.048 25.463 1.00 0.00 H new ATOM 0 HE2 PHE A 26 87.188 3.803 24.580 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.998 3.897 25.740 1.00 0.00 H new ATOM 410 N ASN A 27 85.397 -1.847 19.573 1.00 0.00 N ATOM 411 CA ASN A 27 85.852 -2.890 18.606 1.00 0.00 C ATOM 412 C ASN A 27 86.854 -3.834 19.275 1.00 0.00 C ATOM 413 O ASN A 27 87.845 -4.213 18.682 1.00 0.00 O ATOM 414 CB ASN A 27 86.522 -2.220 17.401 1.00 0.00 C ATOM 415 CG ASN A 27 85.488 -1.408 16.617 1.00 0.00 C ATOM 416 OD1 ASN A 27 84.258 -1.839 16.537 1.00 0.00 O flip ATOM 417 ND2 ASN A 27 85.804 -0.370 16.070 1.00 0.00 N flip ATOM 0 H ASN A 27 84.385 -1.762 19.669 1.00 0.00 H new ATOM 0 HA ASN A 27 84.984 -3.462 18.277 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.329 -1.570 17.738 1.00 0.00 H new ATOM 0 HB3 ASN A 27 86.970 -2.976 16.756 1.00 0.00 H new ATOM 0 HD21 ASN A 27 86.765 -0.033 16.132 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.109 0.164 15.549 1.00 0.00 H new ATOM 424 N LEU A 28 86.607 -4.219 20.503 1.00 0.00 N ATOM 425 CA LEU A 28 87.547 -5.146 21.217 1.00 0.00 C ATOM 426 C LEU A 28 86.895 -6.528 21.353 1.00 0.00 C ATOM 427 O LEU A 28 85.686 -6.637 21.409 1.00 0.00 O ATOM 428 CB LEU A 28 87.820 -4.590 22.616 1.00 0.00 C ATOM 429 CG LEU A 28 88.698 -3.331 22.522 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.591 -2.543 23.831 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.169 -3.719 22.276 1.00 0.00 C ATOM 0 H LEU A 28 85.793 -3.931 21.046 1.00 0.00 H new ATOM 0 HA LEU A 28 88.477 -5.231 20.655 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.879 -4.350 23.111 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.317 -5.345 23.225 1.00 0.00 H new ATOM 0 HG LEU A 28 88.352 -2.719 21.689 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.212 -1.649 23.769 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.553 -2.253 23.998 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.931 -3.165 24.659 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.777 -2.817 22.212 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.524 -4.339 23.099 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.247 -4.276 21.343 1.00 0.00 H new ATOM 443 N PRO A 29 87.677 -7.585 21.410 1.00 0.00 N ATOM 444 CA PRO A 29 87.127 -8.965 21.549 1.00 0.00 C ATOM 445 C PRO A 29 86.566 -9.216 22.962 1.00 0.00 C ATOM 446 O PRO A 29 87.009 -8.609 23.919 1.00 0.00 O ATOM 447 CB PRO A 29 88.335 -9.873 21.267 1.00 0.00 C ATOM 448 CG PRO A 29 89.529 -9.051 21.638 1.00 0.00 C ATOM 449 CD PRO A 29 89.154 -7.592 21.350 1.00 0.00 C ATOM 0 HA PRO A 29 86.292 -9.146 20.872 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.287 -10.789 21.856 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.370 -10.170 20.219 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.783 -9.187 22.689 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.402 -9.350 21.058 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.587 -6.916 22.087 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.516 -7.272 20.373 1.00 0.00 H new ATOM 457 N PRO A 30 85.606 -10.101 23.102 1.00 0.00 N ATOM 458 CA PRO A 30 85.001 -10.415 24.428 1.00 0.00 C ATOM 459 C PRO A 30 86.048 -10.534 25.550 1.00 0.00 C ATOM 460 O PRO A 30 85.734 -10.388 26.715 1.00 0.00 O ATOM 461 CB PRO A 30 84.311 -11.767 24.197 1.00 0.00 C ATOM 462 CG PRO A 30 83.973 -11.802 22.737 1.00 0.00 C ATOM 463 CD PRO A 30 84.987 -10.896 22.020 1.00 0.00 C ATOM 0 HA PRO A 30 84.327 -9.624 24.757 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.968 -12.594 24.467 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.414 -11.859 24.809 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.027 -12.821 22.353 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.955 -11.451 22.568 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.732 -11.482 21.483 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.497 -10.255 21.287 1.00 0.00 H new ATOM 471 N VAL A 31 87.276 -10.820 25.215 1.00 0.00 N ATOM 472 CA VAL A 31 88.318 -10.971 26.275 1.00 0.00 C ATOM 473 C VAL A 31 88.455 -9.670 27.072 1.00 0.00 C ATOM 474 O VAL A 31 88.453 -9.675 28.287 1.00 0.00 O ATOM 475 CB VAL A 31 89.670 -11.306 25.627 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.790 -11.217 26.676 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.620 -12.722 25.048 1.00 0.00 C ATOM 0 H VAL A 31 87.604 -10.955 24.259 1.00 0.00 H new ATOM 0 HA VAL A 31 88.019 -11.776 26.947 1.00 0.00 H new ATOM 0 HB VAL A 31 89.872 -10.592 24.829 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.746 -11.456 26.209 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.828 -10.207 27.083 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.592 -11.925 27.480 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.579 -12.961 24.588 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.413 -13.435 25.847 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.832 -12.780 24.297 1.00 0.00 H new ATOM 487 N VAL A 32 88.599 -8.561 26.404 1.00 0.00 N ATOM 488 CA VAL A 32 88.765 -7.274 27.136 1.00 0.00 C ATOM 489 C VAL A 32 87.432 -6.812 27.731 1.00 0.00 C ATOM 490 O VAL A 32 87.376 -6.357 28.855 1.00 0.00 O ATOM 491 CB VAL A 32 89.289 -6.207 26.179 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.487 -4.894 26.938 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.624 -6.665 25.586 1.00 0.00 C ATOM 0 H VAL A 32 88.609 -8.489 25.387 1.00 0.00 H new ATOM 0 HA VAL A 32 89.476 -7.427 27.948 1.00 0.00 H new ATOM 0 HB VAL A 32 88.570 -6.054 25.375 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.861 -4.132 26.255 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.535 -4.569 27.358 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.206 -5.044 27.743 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.999 -5.903 24.902 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.345 -6.819 26.389 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.480 -7.600 25.044 1.00 0.00 H new ATOM 503 N ALA A 33 86.360 -6.909 26.992 1.00 0.00 N ATOM 504 CA ALA A 33 85.051 -6.451 27.541 1.00 0.00 C ATOM 505 C ALA A 33 84.721 -7.254 28.799 1.00 0.00 C ATOM 506 O ALA A 33 84.392 -6.703 29.831 1.00 0.00 O ATOM 507 CB ALA A 33 83.950 -6.634 26.488 1.00 0.00 C ATOM 0 H ALA A 33 86.333 -7.281 26.043 1.00 0.00 H new ATOM 0 HA ALA A 33 85.113 -5.394 27.798 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.997 -6.297 26.896 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.193 -6.047 25.602 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.877 -7.687 26.217 1.00 0.00 H new ATOM 513 N LYS A 34 84.818 -8.550 28.729 1.00 0.00 N ATOM 514 CA LYS A 34 84.522 -9.380 29.929 1.00 0.00 C ATOM 515 C LYS A 34 85.470 -9.005 31.069 1.00 0.00 C ATOM 516 O LYS A 34 85.076 -8.936 32.216 1.00 0.00 O ATOM 517 CB LYS A 34 84.680 -10.861 29.585 1.00 0.00 C ATOM 518 CG LYS A 34 83.522 -11.290 28.681 1.00 0.00 C ATOM 519 CD LYS A 34 83.662 -12.772 28.324 1.00 0.00 C ATOM 520 CE LYS A 34 82.488 -13.196 27.434 1.00 0.00 C ATOM 521 NZ LYS A 34 81.280 -13.413 28.278 1.00 0.00 N ATOM 0 H LYS A 34 85.089 -9.071 27.895 1.00 0.00 H new ATOM 0 HA LYS A 34 83.496 -9.195 30.247 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.632 -11.031 29.083 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.688 -11.460 30.496 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.572 -11.117 29.186 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.515 -10.687 27.773 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.606 -12.945 27.806 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.681 -13.376 29.231 1.00 0.00 H new ATOM 0 HE2 LYS A 34 82.289 -12.429 26.686 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.738 -14.110 26.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.686 -14.151 27.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.571 -13.712 29.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.739 -12.527 28.343 1.00 0.00 H new ATOM 535 N GLU A 35 86.714 -8.763 30.769 1.00 0.00 N ATOM 536 CA GLU A 35 87.675 -8.397 31.847 1.00 0.00 C ATOM 537 C GLU A 35 87.222 -7.099 32.520 1.00 0.00 C ATOM 538 O GLU A 35 87.309 -6.956 33.723 1.00 0.00 O ATOM 539 CB GLU A 35 89.070 -8.200 31.250 1.00 0.00 C ATOM 540 CG GLU A 35 90.120 -8.220 32.367 1.00 0.00 C ATOM 541 CD GLU A 35 89.979 -6.971 33.241 1.00 0.00 C ATOM 542 OE1 GLU A 35 90.127 -5.882 32.712 1.00 0.00 O ATOM 543 OE2 GLU A 35 89.720 -7.126 34.423 1.00 0.00 O ATOM 0 H GLU A 35 87.107 -8.802 29.829 1.00 0.00 H new ATOM 0 HA GLU A 35 87.707 -9.198 32.586 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.280 -8.987 30.526 1.00 0.00 H new ATOM 0 HB3 GLU A 35 89.115 -7.253 30.713 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.998 -9.116 32.976 1.00 0.00 H new ATOM 0 HG3 GLU A 35 91.120 -8.261 31.936 1.00 0.00 H new ATOM 550 N ILE A 36 86.743 -6.152 31.763 1.00 0.00 N ATOM 551 CA ILE A 36 86.293 -4.877 32.385 1.00 0.00 C ATOM 552 C ILE A 36 85.153 -5.188 33.356 1.00 0.00 C ATOM 553 O ILE A 36 85.089 -4.654 34.445 1.00 0.00 O ATOM 554 CB ILE A 36 85.828 -3.904 31.299 1.00 0.00 C ATOM 555 CG1 ILE A 36 87.031 -3.506 30.436 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.241 -2.655 31.954 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.556 -2.737 29.200 1.00 0.00 C ATOM 0 H ILE A 36 86.644 -6.205 30.749 1.00 0.00 H new ATOM 0 HA ILE A 36 87.115 -4.410 32.927 1.00 0.00 H new ATOM 0 HB ILE A 36 85.069 -4.380 30.679 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.718 -2.890 31.016 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.581 -4.396 30.132 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.909 -1.961 31.182 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.393 -2.936 32.578 1.00 0.00 H new ATOM 0 HG23 ILE A 36 86.002 -2.176 32.570 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.417 -2.458 28.592 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.887 -3.367 28.614 1.00 0.00 H new ATOM 0 HD13 ILE A 36 86.026 -1.838 29.513 1.00 0.00 H new ATOM 569 N VAL A 37 84.275 -6.078 32.984 1.00 0.00 N ATOM 570 CA VAL A 37 83.164 -6.457 33.901 1.00 0.00 C ATOM 571 C VAL A 37 83.772 -7.131 35.131 1.00 0.00 C ATOM 572 O VAL A 37 83.354 -6.912 36.251 1.00 0.00 O ATOM 573 CB VAL A 37 82.231 -7.440 33.182 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.249 -8.053 34.182 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.446 -6.695 32.100 1.00 0.00 C ATOM 0 H VAL A 37 84.279 -6.559 32.085 1.00 0.00 H new ATOM 0 HA VAL A 37 82.594 -5.577 34.199 1.00 0.00 H new ATOM 0 HB VAL A 37 82.827 -8.232 32.729 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.590 -8.750 33.664 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.802 -8.584 34.956 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.654 -7.262 34.639 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.782 -7.391 31.588 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.856 -5.902 32.560 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.140 -6.260 31.381 1.00 0.00 H new ATOM 585 N ALA A 38 84.765 -7.947 34.920 1.00 0.00 N ATOM 586 CA ALA A 38 85.425 -8.646 36.057 1.00 0.00 C ATOM 587 C ALA A 38 86.076 -7.620 36.993 1.00 0.00 C ATOM 588 O ALA A 38 86.427 -7.928 38.113 1.00 0.00 O ATOM 589 CB ALA A 38 86.492 -9.602 35.517 1.00 0.00 C ATOM 0 H ALA A 38 85.151 -8.162 34.001 1.00 0.00 H new ATOM 0 HA ALA A 38 84.678 -9.212 36.614 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.976 -10.114 36.349 1.00 0.00 H new ATOM 0 HB2 ALA A 38 86.024 -10.336 34.861 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.237 -9.037 34.956 1.00 0.00 H new ATOM 595 N SER A 39 86.257 -6.404 36.537 1.00 0.00 N ATOM 596 CA SER A 39 86.904 -5.369 37.402 1.00 0.00 C ATOM 597 C SER A 39 85.833 -4.546 38.113 1.00 0.00 C ATOM 598 O SER A 39 85.979 -4.181 39.262 1.00 0.00 O ATOM 599 CB SER A 39 87.752 -4.441 36.530 1.00 0.00 C ATOM 600 OG SER A 39 88.763 -5.200 35.877 1.00 0.00 O ATOM 0 H SER A 39 85.986 -6.085 35.607 1.00 0.00 H new ATOM 0 HA SER A 39 87.534 -5.862 38.143 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.123 -3.942 35.793 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.205 -3.662 37.143 1.00 0.00 H new ATOM 0 HG SER A 39 88.347 -5.826 35.248 1.00 0.00 H new ATOM 606 N CYS A 40 84.750 -4.260 37.449 1.00 0.00 N ATOM 607 CA CYS A 40 83.673 -3.471 38.105 1.00 0.00 C ATOM 608 C CYS A 40 83.178 -4.235 39.334 1.00 0.00 C ATOM 609 O CYS A 40 82.921 -5.419 39.272 1.00 0.00 O ATOM 610 CB CYS A 40 82.517 -3.272 37.128 1.00 0.00 C ATOM 611 SG CYS A 40 81.380 -2.026 37.782 1.00 0.00 S ATOM 0 H CYS A 40 84.564 -4.537 36.485 1.00 0.00 H new ATOM 0 HA CYS A 40 84.059 -2.497 38.405 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.898 -2.957 36.157 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.991 -4.214 36.974 1.00 0.00 H new ATOM 616 N ASP A 41 83.042 -3.573 40.448 1.00 0.00 N ATOM 617 CA ASP A 41 82.564 -4.273 41.673 1.00 0.00 C ATOM 618 C ASP A 41 81.047 -4.460 41.607 1.00 0.00 C ATOM 619 O ASP A 41 80.502 -5.385 42.175 1.00 0.00 O ATOM 620 CB ASP A 41 82.920 -3.441 42.909 1.00 0.00 C ATOM 621 CG ASP A 41 84.434 -3.473 43.128 1.00 0.00 C ATOM 622 OD1 ASP A 41 85.062 -4.402 42.647 1.00 0.00 O ATOM 623 OD2 ASP A 41 84.938 -2.572 43.777 1.00 0.00 O ATOM 0 H ASP A 41 83.241 -2.579 40.564 1.00 0.00 H new ATOM 0 HA ASP A 41 83.044 -5.249 41.737 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.583 -2.413 42.778 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.407 -3.835 43.786 1.00 0.00 H new ATOM 628 N LYS A 42 80.358 -3.583 40.929 1.00 0.00 N ATOM 629 CA LYS A 42 78.876 -3.711 40.845 1.00 0.00 C ATOM 630 C LYS A 42 78.490 -4.869 39.918 1.00 0.00 C ATOM 631 O LYS A 42 77.566 -5.609 40.190 1.00 0.00 O ATOM 632 CB LYS A 42 78.292 -2.412 40.284 1.00 0.00 C ATOM 633 CG LYS A 42 78.493 -1.273 41.288 1.00 0.00 C ATOM 634 CD LYS A 42 77.905 0.018 40.712 1.00 0.00 C ATOM 635 CE LYS A 42 78.101 1.163 41.709 1.00 0.00 C ATOM 636 NZ LYS A 42 77.364 0.858 42.968 1.00 0.00 N ATOM 0 H LYS A 42 80.756 -2.786 40.431 1.00 0.00 H new ATOM 0 HA LYS A 42 78.482 -3.906 41.842 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.775 -2.164 39.339 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.230 -2.541 40.075 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.009 -1.517 42.234 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.554 -1.141 41.498 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.390 0.260 39.766 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.844 -0.116 40.501 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.162 1.298 41.920 1.00 0.00 H new ATOM 0 HE3 LYS A 42 77.739 2.098 41.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 76.818 1.693 43.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.716 0.060 42.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 78.042 0.607 43.715 1.00 0.00 H new ATOM 650 N CYS A 43 79.178 -5.027 38.816 1.00 0.00 N ATOM 651 CA CYS A 43 78.832 -6.131 37.867 1.00 0.00 C ATOM 652 C CYS A 43 79.562 -7.421 38.256 1.00 0.00 C ATOM 653 O CYS A 43 79.450 -8.428 37.587 1.00 0.00 O ATOM 654 CB CYS A 43 79.212 -5.728 36.442 1.00 0.00 C ATOM 655 SG CYS A 43 78.408 -4.160 36.025 1.00 0.00 S ATOM 0 H CYS A 43 79.963 -4.441 38.532 1.00 0.00 H new ATOM 0 HA CYS A 43 77.758 -6.310 37.916 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.294 -5.628 36.357 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.907 -6.504 35.739 1.00 0.00 H new ATOM 660 N GLN A 44 80.310 -7.406 39.326 1.00 0.00 N ATOM 661 CA GLN A 44 81.041 -8.642 39.737 1.00 0.00 C ATOM 662 C GLN A 44 80.069 -9.601 40.420 1.00 0.00 C ATOM 663 O GLN A 44 79.736 -10.646 39.897 1.00 0.00 O ATOM 664 CB GLN A 44 82.157 -8.281 40.723 1.00 0.00 C ATOM 665 CG GLN A 44 83.012 -9.519 41.023 1.00 0.00 C ATOM 666 CD GLN A 44 83.836 -9.882 39.789 1.00 0.00 C ATOM 667 OE1 GLN A 44 83.904 -11.032 39.404 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.472 -8.940 39.149 1.00 0.00 N ATOM 0 H GLN A 44 80.447 -6.597 39.931 1.00 0.00 H new ATOM 0 HA GLN A 44 81.472 -9.113 38.854 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.781 -7.490 40.306 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.727 -7.894 41.646 1.00 0.00 H new ATOM 0 HG2 GLN A 44 83.671 -9.322 41.868 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.373 -10.356 41.305 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.414 -7.975 39.473 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.027 -9.169 38.324 1.00 0.00 H new ATOM 677 N LEU A 45 79.627 -9.259 41.594 1.00 0.00 N ATOM 678 CA LEU A 45 78.690 -10.151 42.331 1.00 0.00 C ATOM 679 C LEU A 45 77.261 -9.933 41.830 1.00 0.00 C ATOM 680 O LEU A 45 76.893 -8.849 41.420 1.00 0.00 O ATOM 681 CB LEU A 45 78.756 -9.823 43.824 1.00 0.00 C ATOM 682 CG LEU A 45 80.210 -9.876 44.302 1.00 0.00 C ATOM 683 CD1 LEU A 45 80.262 -9.545 45.797 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.792 -11.279 44.064 1.00 0.00 C ATOM 0 H LEU A 45 79.874 -8.396 42.079 1.00 0.00 H new ATOM 0 HA LEU A 45 78.974 -11.190 42.164 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.339 -8.833 44.007 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.152 -10.533 44.389 1.00 0.00 H new ATOM 0 HG LEU A 45 80.800 -9.149 43.743 1.00 0.00 H new ATOM 0 HD11 LEU A 45 81.295 -9.581 46.142 1.00 0.00 H new ATOM 0 HD12 LEU A 45 79.859 -8.546 45.963 1.00 0.00 H new ATOM 0 HD13 LEU A 45 79.669 -10.272 46.351 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.826 -11.307 44.407 1.00 0.00 H new ATOM 0 HD22 LEU A 45 80.207 -12.014 44.616 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.756 -11.512 43.000 1.00 0.00 H new ATOM 696 N LYS A 46 76.451 -10.955 41.873 1.00 0.00 N ATOM 697 CA LYS A 46 75.040 -10.816 41.418 1.00 0.00 C ATOM 698 C LYS A 46 74.222 -10.108 42.493 1.00 0.00 C ATOM 699 O LYS A 46 74.706 -9.835 43.573 1.00 0.00 O ATOM 700 CB LYS A 46 74.433 -12.195 41.151 1.00 0.00 C ATOM 701 CG LYS A 46 75.074 -12.810 39.906 1.00 0.00 C ATOM 702 CD LYS A 46 74.461 -14.187 39.649 1.00 0.00 C ATOM 703 CE LYS A 46 75.092 -14.804 38.400 1.00 0.00 C ATOM 704 NZ LYS A 46 74.458 -16.124 38.126 1.00 0.00 N ATOM 0 H LYS A 46 76.708 -11.884 42.205 1.00 0.00 H new ATOM 0 HA LYS A 46 75.024 -10.232 40.498 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.591 -12.845 42.012 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.356 -12.108 41.011 1.00 0.00 H new ATOM 0 HG2 LYS A 46 74.916 -12.162 39.044 1.00 0.00 H new ATOM 0 HG3 LYS A 46 76.152 -12.899 40.044 1.00 0.00 H new ATOM 0 HD2 LYS A 46 74.625 -14.836 40.510 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.383 -14.098 39.518 1.00 0.00 H new ATOM 0 HE2 LYS A 46 74.959 -14.140 37.546 1.00 0.00 H new ATOM 0 HE3 LYS A 46 76.165 -14.927 38.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 74.886 -16.545 37.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 74.607 -16.756 38.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 73.438 -15.994 37.971 1.00 0.00 H new ATOM 718 N GLY A 47 72.987 -9.797 42.197 1.00 0.00 N ATOM 719 CA GLY A 47 72.118 -9.097 43.190 1.00 0.00 C ATOM 720 C GLY A 47 72.334 -9.677 44.592 1.00 0.00 C ATOM 721 O GLY A 47 73.205 -9.247 45.322 1.00 0.00 O ATOM 0 H GLY A 47 72.540 -9.999 41.303 1.00 0.00 H new ATOM 0 HA2 GLY A 47 72.344 -8.031 43.192 1.00 0.00 H new ATOM 0 HA3 GLY A 47 71.071 -9.201 42.904 1.00 0.00 H new ATOM 725 N GLU A 48 71.545 -10.645 44.980 1.00 0.00 N ATOM 726 CA GLU A 48 71.703 -11.243 46.342 1.00 0.00 C ATOM 727 C GLU A 48 72.685 -12.421 46.300 1.00 0.00 C ATOM 728 O GLU A 48 73.005 -13.004 47.317 1.00 0.00 O ATOM 729 CB GLU A 48 70.342 -11.735 46.837 1.00 0.00 C ATOM 730 CG GLU A 48 69.444 -10.533 47.133 1.00 0.00 C ATOM 731 CD GLU A 48 68.082 -11.024 47.629 1.00 0.00 C ATOM 732 OE1 GLU A 48 67.931 -12.223 47.794 1.00 0.00 O ATOM 733 OE2 GLU A 48 67.214 -10.191 47.838 1.00 0.00 O ATOM 0 H GLU A 48 70.798 -11.048 44.414 1.00 0.00 H new ATOM 0 HA GLU A 48 72.094 -10.483 47.019 1.00 0.00 H new ATOM 0 HB2 GLU A 48 69.878 -12.373 46.085 1.00 0.00 H new ATOM 0 HB3 GLU A 48 70.466 -12.340 47.735 1.00 0.00 H new ATOM 0 HG2 GLU A 48 69.908 -9.895 47.885 1.00 0.00 H new ATOM 0 HG3 GLU A 48 69.320 -9.928 46.235 1.00 0.00 H new ATOM 740 N ALA A 49 73.168 -12.779 45.142 1.00 0.00 N ATOM 741 CA ALA A 49 74.127 -13.923 45.058 1.00 0.00 C ATOM 742 C ALA A 49 73.586 -15.114 45.857 1.00 0.00 C ATOM 743 O ALA A 49 72.397 -15.363 45.890 1.00 0.00 O ATOM 744 CB ALA A 49 75.476 -13.495 45.643 1.00 0.00 C ATOM 0 H ALA A 49 72.943 -12.333 44.253 1.00 0.00 H new ATOM 0 HA ALA A 49 74.250 -14.214 44.015 1.00 0.00 H new ATOM 0 HB1 ALA A 49 76.178 -14.326 45.584 1.00 0.00 H new ATOM 0 HB2 ALA A 49 75.866 -12.649 45.077 1.00 0.00 H new ATOM 0 HB3 ALA A 49 75.345 -13.204 46.685 1.00 0.00 H new ATOM 750 N MET A 50 74.458 -15.840 46.507 1.00 0.00 N ATOM 751 CA MET A 50 74.030 -17.018 47.324 1.00 0.00 C ATOM 752 C MET A 50 72.921 -17.812 46.618 1.00 0.00 C ATOM 753 O MET A 50 73.185 -18.755 45.898 1.00 0.00 O ATOM 754 CB MET A 50 73.528 -16.533 48.689 1.00 0.00 C ATOM 755 CG MET A 50 73.222 -17.737 49.585 1.00 0.00 C ATOM 756 SD MET A 50 72.630 -17.154 51.195 1.00 0.00 S ATOM 757 CE MET A 50 73.203 -18.562 52.177 1.00 0.00 C ATOM 0 H MET A 50 75.463 -15.665 46.507 1.00 0.00 H new ATOM 0 HA MET A 50 74.888 -17.677 47.454 1.00 0.00 H new ATOM 0 HB2 MET A 50 74.280 -15.899 49.159 1.00 0.00 H new ATOM 0 HB3 MET A 50 72.632 -15.925 48.563 1.00 0.00 H new ATOM 0 HG2 MET A 50 72.469 -18.371 49.116 1.00 0.00 H new ATOM 0 HG3 MET A 50 74.117 -18.346 49.713 1.00 0.00 H new ATOM 0 HE1 MET A 50 72.938 -18.408 53.223 1.00 0.00 H new ATOM 0 HE2 MET A 50 72.732 -19.475 51.813 1.00 0.00 H new ATOM 0 HE3 MET A 50 74.286 -18.652 52.087 1.00 0.00 H new ATOM 767 N HIS A 51 71.683 -17.458 46.836 1.00 0.00 N ATOM 768 CA HIS A 51 70.561 -18.212 46.203 1.00 0.00 C ATOM 769 C HIS A 51 70.333 -17.725 44.771 1.00 0.00 C ATOM 770 O HIS A 51 70.806 -16.679 44.373 1.00 0.00 O ATOM 771 CB HIS A 51 69.284 -17.992 47.017 1.00 0.00 C ATOM 772 CG HIS A 51 69.523 -18.396 48.446 1.00 0.00 C ATOM 773 ND1 HIS A 51 69.568 -19.725 48.844 1.00 0.00 N ATOM 774 CD2 HIS A 51 69.732 -17.656 49.585 1.00 0.00 C ATOM 775 CE1 HIS A 51 69.795 -19.744 50.171 1.00 0.00 C ATOM 776 NE2 HIS A 51 69.901 -18.512 50.668 1.00 0.00 N ATOM 0 H HIS A 51 71.399 -16.677 47.427 1.00 0.00 H new ATOM 0 HA HIS A 51 70.815 -19.272 46.181 1.00 0.00 H new ATOM 0 HB2 HIS A 51 68.986 -16.945 46.969 1.00 0.00 H new ATOM 0 HB3 HIS A 51 68.466 -18.576 46.595 1.00 0.00 H new ATOM 0 HD2 HIS A 51 69.761 -16.577 49.632 1.00 0.00 H new ATOM 0 HE1 HIS A 51 69.881 -20.646 50.759 1.00 0.00 H new ATOM 0 HE2 HIS A 51 70.071 -18.251 51.639 1.00 0.00 H new ATOM 785 N GLY A 52 69.604 -18.483 43.991 1.00 0.00 N ATOM 786 CA GLY A 52 69.332 -18.080 42.580 1.00 0.00 C ATOM 787 C GLY A 52 70.410 -18.658 41.663 1.00 0.00 C ATOM 788 O GLY A 52 70.550 -18.259 40.525 1.00 0.00 O ATOM 0 H GLY A 52 69.184 -19.368 44.274 1.00 0.00 H new ATOM 0 HA2 GLY A 52 68.349 -18.437 42.272 1.00 0.00 H new ATOM 0 HA3 GLY A 52 69.316 -16.993 42.499 1.00 0.00 H new ATOM 792 N GLN A 53 71.173 -19.599 42.148 1.00 0.00 N ATOM 793 CA GLN A 53 72.239 -20.200 41.300 1.00 0.00 C ATOM 794 C GLN A 53 71.615 -21.219 40.346 1.00 0.00 C ATOM 795 O GLN A 53 70.607 -21.830 40.644 1.00 0.00 O ATOM 796 CB GLN A 53 73.274 -20.893 42.189 1.00 0.00 C ATOM 797 CG GLN A 53 74.039 -19.844 42.999 1.00 0.00 C ATOM 798 CD GLN A 53 74.909 -19.003 42.062 1.00 0.00 C ATOM 799 OE1 GLN A 53 75.590 -19.534 41.208 1.00 0.00 O ATOM 800 NE2 GLN A 53 74.915 -17.704 42.188 1.00 0.00 N ATOM 0 H GLN A 53 71.104 -19.977 43.093 1.00 0.00 H new ATOM 0 HA GLN A 53 72.730 -19.416 40.723 1.00 0.00 H new ATOM 0 HB2 GLN A 53 72.780 -21.596 42.860 1.00 0.00 H new ATOM 0 HB3 GLN A 53 73.966 -21.470 41.576 1.00 0.00 H new ATOM 0 HG2 GLN A 53 73.339 -19.203 43.535 1.00 0.00 H new ATOM 0 HG3 GLN A 53 74.662 -20.332 43.749 1.00 0.00 H new ATOM 0 HE21 GLN A 53 74.343 -17.259 42.905 1.00 0.00 H new ATOM 0 HE22 GLN A 53 75.492 -17.134 41.569 1.00 0.00 H new ATOM 809 N VAL A 54 72.202 -21.399 39.194 1.00 0.00 N ATOM 810 CA VAL A 54 71.645 -22.367 38.203 1.00 0.00 C ATOM 811 C VAL A 54 72.317 -23.733 38.375 1.00 0.00 C ATOM 812 O VAL A 54 71.926 -24.706 37.761 1.00 0.00 O ATOM 813 CB VAL A 54 71.911 -21.845 36.790 1.00 0.00 C ATOM 814 CG1 VAL A 54 71.121 -20.554 36.567 1.00 0.00 C ATOM 815 CG2 VAL A 54 73.405 -21.562 36.622 1.00 0.00 C ATOM 0 H VAL A 54 73.048 -20.915 38.894 1.00 0.00 H new ATOM 0 HA VAL A 54 70.572 -22.474 38.364 1.00 0.00 H new ATOM 0 HB VAL A 54 71.599 -22.594 36.062 1.00 0.00 H new ATOM 0 HG11 VAL A 54 71.310 -20.181 35.560 1.00 0.00 H new ATOM 0 HG12 VAL A 54 70.056 -20.754 36.686 1.00 0.00 H new ATOM 0 HG13 VAL A 54 71.433 -19.806 37.296 1.00 0.00 H new ATOM 0 HG21 VAL A 54 73.594 -21.190 35.615 1.00 0.00 H new ATOM 0 HG22 VAL A 54 73.718 -20.813 37.350 1.00 0.00 H new ATOM 0 HG23 VAL A 54 73.970 -22.481 36.781 1.00 0.00 H new ATOM 825 N ASP A 55 73.323 -23.815 39.204 1.00 0.00 N ATOM 826 CA ASP A 55 74.014 -25.122 39.411 1.00 0.00 C ATOM 827 C ASP A 55 74.626 -25.162 40.813 1.00 0.00 C ATOM 828 O ASP A 55 74.344 -24.262 41.587 1.00 0.00 O ATOM 829 CB ASP A 55 75.120 -25.282 38.365 1.00 0.00 C ATOM 830 CG ASP A 55 76.131 -24.145 38.511 1.00 0.00 C ATOM 831 OD1 ASP A 55 75.763 -23.116 39.054 1.00 0.00 O ATOM 832 OD2 ASP A 55 77.256 -24.321 38.074 1.00 0.00 O ATOM 833 OXT ASP A 55 75.366 -26.091 41.089 1.00 0.00 O ATOM 0 H ASP A 55 73.696 -23.036 39.746 1.00 0.00 H new ATOM 0 HA ASP A 55 73.295 -25.934 39.308 1.00 0.00 H new ATOM 0 HB2 ASP A 55 75.618 -26.243 38.491 1.00 0.00 H new ATOM 0 HB3 ASP A 55 74.691 -25.274 37.363 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 95.887 -11.629 22.480 1.00 0.00 N ATOM 840 CA PHE B 1 94.956 -12.749 22.799 1.00 0.00 C ATOM 841 C PHE B 1 95.503 -14.045 22.200 1.00 0.00 C ATOM 842 O PHE B 1 95.515 -14.230 20.998 1.00 0.00 O ATOM 843 CB PHE B 1 93.574 -12.442 22.215 1.00 0.00 C ATOM 844 CG PHE B 1 93.255 -10.976 22.425 1.00 0.00 C ATOM 845 CD1 PHE B 1 93.030 -10.487 23.718 1.00 0.00 C ATOM 846 CD2 PHE B 1 93.192 -10.103 21.328 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.742 -9.131 23.916 1.00 0.00 C ATOM 848 CE2 PHE B 1 92.903 -8.746 21.528 1.00 0.00 C ATOM 849 CZ PHE B 1 92.678 -8.262 22.821 1.00 0.00 C ATOM 0 H1 PHE B 1 95.344 -10.751 22.357 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.566 -11.510 23.258 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.401 -11.844 21.602 1.00 0.00 H new ATOM 0 HA PHE B 1 94.869 -12.863 23.880 1.00 0.00 H new ATOM 0 HB2 PHE B 1 93.555 -12.681 21.152 1.00 0.00 H new ATOM 0 HB3 PHE B 1 92.818 -13.063 22.695 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.079 -11.157 24.564 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.366 -10.477 20.330 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.569 -8.756 24.914 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.854 -8.074 20.684 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.455 -7.217 22.974 1.00 0.00 H new ATOM 861 N LEU B 2 95.973 -14.940 23.033 1.00 0.00 N ATOM 862 CA LEU B 2 96.544 -16.227 22.527 1.00 0.00 C ATOM 863 C LEU B 2 95.538 -17.361 22.682 1.00 0.00 C ATOM 864 O LEU B 2 94.892 -17.497 23.693 1.00 0.00 O ATOM 865 CB LEU B 2 97.809 -16.572 23.320 1.00 0.00 C ATOM 866 CG LEU B 2 98.839 -15.441 23.198 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.090 -15.815 24.001 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.218 -15.224 21.722 1.00 0.00 C ATOM 0 H LEU B 2 95.986 -14.834 24.047 1.00 0.00 H new ATOM 0 HA LEU B 2 96.783 -16.107 21.470 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.557 -16.732 24.368 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.236 -17.504 22.949 1.00 0.00 H new ATOM 0 HG LEU B 2 98.409 -14.518 23.588 1.00 0.00 H new ATOM 0 HD11 LEU B 2 100.827 -15.016 23.919 1.00 0.00 H new ATOM 0 HD12 LEU B 2 99.822 -15.956 25.048 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.512 -16.740 23.607 1.00 0.00 H new ATOM 0 HD21 LEU B 2 99.949 -14.419 21.649 1.00 0.00 H new ATOM 0 HD22 LEU B 2 99.646 -16.141 21.318 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.327 -14.958 21.153 1.00 0.00 H new ATOM 880 N ASP B 3 95.429 -18.200 21.691 1.00 0.00 N ATOM 881 CA ASP B 3 94.492 -19.351 21.792 1.00 0.00 C ATOM 882 C ASP B 3 94.928 -20.195 22.986 1.00 0.00 C ATOM 883 O ASP B 3 94.118 -20.705 23.735 1.00 0.00 O ATOM 884 CB ASP B 3 94.550 -20.192 20.515 1.00 0.00 C ATOM 885 CG ASP B 3 93.582 -21.370 20.636 1.00 0.00 C ATOM 886 OD1 ASP B 3 92.997 -21.524 21.696 1.00 0.00 O ATOM 887 OD2 ASP B 3 93.434 -22.094 19.665 1.00 0.00 O ATOM 0 H ASP B 3 95.949 -18.138 20.815 1.00 0.00 H new ATOM 0 HA ASP B 3 93.469 -18.998 21.921 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.289 -19.580 19.652 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.564 -20.556 20.352 1.00 0.00 H new ATOM 892 N GLY B 4 96.215 -20.329 23.177 1.00 0.00 N ATOM 893 CA GLY B 4 96.729 -21.120 24.331 1.00 0.00 C ATOM 894 C GLY B 4 96.034 -20.652 25.613 1.00 0.00 C ATOM 895 O GLY B 4 96.146 -21.269 26.653 1.00 0.00 O ATOM 0 H GLY B 4 96.934 -19.922 22.579 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.544 -22.182 24.170 1.00 0.00 H new ATOM 0 HA3 GLY B 4 97.808 -20.994 24.422 1.00 0.00 H new ATOM 899 N ILE B 5 95.302 -19.573 25.539 1.00 0.00 N ATOM 900 CA ILE B 5 94.583 -19.072 26.739 1.00 0.00 C ATOM 901 C ILE B 5 93.644 -20.175 27.242 1.00 0.00 C ATOM 902 O ILE B 5 93.443 -20.341 28.429 1.00 0.00 O ATOM 903 CB ILE B 5 93.802 -17.796 26.355 1.00 0.00 C ATOM 904 CG1 ILE B 5 94.762 -16.600 26.344 1.00 0.00 C ATOM 905 CG2 ILE B 5 92.663 -17.535 27.351 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.096 -15.407 25.650 1.00 0.00 C ATOM 0 H ILE B 5 95.172 -19.017 24.694 1.00 0.00 H new ATOM 0 HA ILE B 5 95.279 -18.819 27.539 1.00 0.00 H new ATOM 0 HB ILE B 5 93.368 -17.934 25.365 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.036 -16.332 27.364 1.00 0.00 H new ATOM 0 HG13 ILE B 5 95.683 -16.866 25.826 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.126 -16.632 27.061 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.976 -18.382 27.349 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.077 -17.406 28.351 1.00 0.00 H new ATOM 0 HD11 ILE B 5 94.782 -14.560 25.645 1.00 0.00 H new ATOM 0 HD12 ILE B 5 93.845 -15.677 24.624 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.187 -15.135 26.187 1.00 0.00 H new ATOM 918 N ASP B 6 93.089 -20.945 26.349 1.00 0.00 N ATOM 919 CA ASP B 6 92.191 -22.056 26.774 1.00 0.00 C ATOM 920 C ASP B 6 92.981 -23.017 27.667 1.00 0.00 C ATOM 921 O ASP B 6 92.480 -23.531 28.648 1.00 0.00 O ATOM 922 CB ASP B 6 91.678 -22.802 25.540 1.00 0.00 C ATOM 923 CG ASP B 6 90.754 -23.942 25.975 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.711 -24.225 27.161 1.00 0.00 O ATOM 925 OD2 ASP B 6 90.106 -24.514 25.114 1.00 0.00 O ATOM 0 H ASP B 6 93.218 -20.853 25.341 1.00 0.00 H new ATOM 0 HA ASP B 6 91.341 -21.655 27.326 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.141 -22.116 24.885 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.517 -23.199 24.968 1.00 0.00 H new ATOM 930 N LYS B 7 94.214 -23.267 27.323 1.00 0.00 N ATOM 931 CA LYS B 7 95.058 -24.198 28.130 1.00 0.00 C ATOM 932 C LYS B 7 95.191 -23.660 29.557 1.00 0.00 C ATOM 933 O LYS B 7 95.199 -24.407 30.516 1.00 0.00 O ATOM 934 CB LYS B 7 96.442 -24.303 27.481 1.00 0.00 C ATOM 935 CG LYS B 7 97.303 -25.319 28.235 1.00 0.00 C ATOM 936 CD LYS B 7 98.671 -25.418 27.553 1.00 0.00 C ATOM 937 CE LYS B 7 99.558 -26.416 28.301 1.00 0.00 C ATOM 938 NZ LYS B 7 98.941 -27.773 28.251 1.00 0.00 N ATOM 0 H LYS B 7 94.679 -22.863 26.510 1.00 0.00 H new ATOM 0 HA LYS B 7 94.595 -25.184 28.165 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.341 -24.604 26.438 1.00 0.00 H new ATOM 0 HB3 LYS B 7 96.929 -23.328 27.486 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.422 -25.014 29.275 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.815 -26.294 28.243 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.548 -25.734 26.517 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.148 -24.438 27.533 1.00 0.00 H new ATOM 0 HE2 LYS B 7 100.551 -26.441 27.853 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.683 -26.101 29.337 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.660 -28.490 28.478 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 98.166 -27.828 28.943 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 98.566 -27.949 27.297 1.00 0.00 H new ATOM 952 N ALA B 8 95.295 -22.369 29.707 1.00 0.00 N ATOM 953 CA ALA B 8 95.429 -21.783 31.070 1.00 0.00 C ATOM 954 C ALA B 8 94.224 -22.192 31.924 1.00 0.00 C ATOM 955 O ALA B 8 94.348 -22.431 33.109 1.00 0.00 O ATOM 956 CB ALA B 8 95.485 -20.258 30.962 1.00 0.00 C ATOM 0 H ALA B 8 95.293 -21.693 28.943 1.00 0.00 H new ATOM 0 HA ALA B 8 96.343 -22.150 31.536 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.583 -19.826 31.958 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.342 -19.967 30.354 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.570 -19.892 30.496 1.00 0.00 H new ATOM 962 N GLN B 9 93.058 -22.279 31.338 1.00 0.00 N ATOM 963 CA GLN B 9 91.859 -22.677 32.131 1.00 0.00 C ATOM 964 C GLN B 9 92.075 -24.070 32.731 1.00 0.00 C ATOM 965 O GLN B 9 91.712 -24.335 33.860 1.00 0.00 O ATOM 966 CB GLN B 9 90.629 -22.704 31.218 1.00 0.00 C ATOM 967 CG GLN B 9 90.244 -21.276 30.833 1.00 0.00 C ATOM 968 CD GLN B 9 89.016 -21.307 29.922 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.130 -21.781 28.712 1.00 0.00 O flip ATOM 970 NE2 GLN B 9 87.942 -20.899 30.316 1.00 0.00 N flip ATOM 0 H GLN B 9 92.885 -22.093 30.350 1.00 0.00 H new ATOM 0 HA GLN B 9 91.704 -21.957 32.934 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.841 -23.288 30.322 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.797 -23.191 31.726 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.031 -20.691 31.728 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.075 -20.788 30.324 1.00 0.00 H new ATOM 0 HE21 GLN B 9 87.853 -20.528 31.262 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.129 -20.927 29.701 1.00 0.00 H new ATOM 979 N GLU B 10 92.662 -24.961 31.982 1.00 0.00 N ATOM 980 CA GLU B 10 92.904 -26.341 32.497 1.00 0.00 C ATOM 981 C GLU B 10 93.809 -26.300 33.733 1.00 0.00 C ATOM 982 O GLU B 10 93.619 -27.042 34.677 1.00 0.00 O ATOM 983 CB GLU B 10 93.570 -27.182 31.407 1.00 0.00 C ATOM 984 CG GLU B 10 92.566 -27.458 30.287 1.00 0.00 C ATOM 985 CD GLU B 10 93.284 -28.116 29.108 1.00 0.00 C ATOM 986 OE1 GLU B 10 94.485 -28.307 29.204 1.00 0.00 O ATOM 987 OE2 GLU B 10 92.620 -28.423 28.132 1.00 0.00 O ATOM 0 H GLU B 10 92.987 -24.793 31.030 1.00 0.00 H new ATOM 0 HA GLU B 10 91.948 -26.785 32.775 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.439 -26.658 31.009 1.00 0.00 H new ATOM 0 HB3 GLU B 10 93.929 -28.122 31.827 1.00 0.00 H new ATOM 0 HG2 GLU B 10 91.770 -28.108 30.650 1.00 0.00 H new ATOM 0 HG3 GLU B 10 92.097 -26.527 29.967 1.00 0.00 H new ATOM 994 N GLU B 11 94.810 -25.459 33.726 1.00 0.00 N ATOM 995 CA GLU B 11 95.751 -25.387 34.889 1.00 0.00 C ATOM 996 C GLU B 11 95.326 -24.280 35.862 1.00 0.00 C ATOM 997 O GLU B 11 95.990 -24.025 36.847 1.00 0.00 O ATOM 998 CB GLU B 11 97.159 -25.084 34.373 1.00 0.00 C ATOM 999 CG GLU B 11 97.682 -26.276 33.568 1.00 0.00 C ATOM 1000 CD GLU B 11 97.964 -27.447 34.511 1.00 0.00 C ATOM 1001 OE1 GLU B 11 98.185 -27.197 35.684 1.00 0.00 O ATOM 1002 OE2 GLU B 11 97.954 -28.574 34.044 1.00 0.00 O ATOM 0 H GLU B 11 95.019 -24.815 32.963 1.00 0.00 H new ATOM 0 HA GLU B 11 95.735 -26.342 35.414 1.00 0.00 H new ATOM 0 HB2 GLU B 11 97.143 -24.190 33.749 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.826 -24.877 35.210 1.00 0.00 H new ATOM 0 HG2 GLU B 11 96.950 -26.570 32.816 1.00 0.00 H new ATOM 0 HG3 GLU B 11 98.591 -25.997 33.036 1.00 0.00 H new ATOM 1009 N CYS B 12 94.237 -23.614 35.598 1.00 0.00 N ATOM 1010 CA CYS B 12 93.793 -22.522 36.514 1.00 0.00 C ATOM 1011 C CYS B 12 93.772 -23.021 37.962 1.00 0.00 C ATOM 1012 O CYS B 12 94.211 -22.342 38.868 1.00 0.00 O ATOM 1013 CB CYS B 12 92.387 -22.065 36.124 1.00 0.00 C ATOM 1014 SG CYS B 12 91.852 -20.736 37.231 1.00 0.00 S ATOM 0 H CYS B 12 93.635 -23.776 34.790 1.00 0.00 H new ATOM 0 HA CYS B 12 94.491 -21.689 36.430 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.380 -21.717 35.091 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.692 -22.903 36.182 1.00 0.00 H new ATOM 1019 N GLU B 13 93.259 -24.199 38.187 1.00 0.00 N ATOM 1020 CA GLU B 13 93.200 -24.737 39.578 1.00 0.00 C ATOM 1021 C GLU B 13 94.616 -24.841 40.150 1.00 0.00 C ATOM 1022 O GLU B 13 94.851 -24.554 41.308 1.00 0.00 O ATOM 1023 CB GLU B 13 92.545 -26.121 39.558 1.00 0.00 C ATOM 1024 CG GLU B 13 92.449 -26.676 40.984 1.00 0.00 C ATOM 1025 CD GLU B 13 91.780 -28.051 40.950 1.00 0.00 C ATOM 1026 OE1 GLU B 13 91.343 -28.449 39.882 1.00 0.00 O ATOM 1027 OE2 GLU B 13 91.718 -28.683 41.991 1.00 0.00 O ATOM 0 H GLU B 13 92.877 -24.814 37.468 1.00 0.00 H new ATOM 0 HA GLU B 13 92.611 -24.067 40.204 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.550 -26.055 39.117 1.00 0.00 H new ATOM 0 HB3 GLU B 13 93.127 -26.799 38.933 1.00 0.00 H new ATOM 0 HG2 GLU B 13 93.443 -26.754 41.423 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.875 -25.996 41.613 1.00 0.00 H new ATOM 1034 N LYS B 14 95.559 -25.256 39.352 1.00 0.00 N ATOM 1035 CA LYS B 14 96.956 -25.390 39.851 1.00 0.00 C ATOM 1036 C LYS B 14 97.482 -24.020 40.287 1.00 0.00 C ATOM 1037 O LYS B 14 98.240 -23.911 41.232 1.00 0.00 O ATOM 1038 CB LYS B 14 97.845 -25.962 38.742 1.00 0.00 C ATOM 1039 CG LYS B 14 99.266 -26.168 39.275 1.00 0.00 C ATOM 1040 CD LYS B 14 100.141 -26.776 38.176 1.00 0.00 C ATOM 1041 CE LYS B 14 101.553 -27.007 38.716 1.00 0.00 C ATOM 1042 NZ LYS B 14 102.200 -25.694 38.995 1.00 0.00 N ATOM 0 H LYS B 14 95.423 -25.509 38.373 1.00 0.00 H new ATOM 0 HA LYS B 14 96.972 -26.066 40.706 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.438 -26.909 38.388 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.861 -25.284 37.889 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.684 -25.216 39.603 1.00 0.00 H new ATOM 0 HG3 LYS B 14 99.248 -26.825 40.145 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.712 -27.718 37.835 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.175 -26.110 37.314 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.512 -27.605 39.626 1.00 0.00 H new ATOM 0 HE3 LYS B 14 102.143 -27.569 37.992 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 103.228 -25.825 39.082 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.999 -25.035 38.215 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 101.825 -25.304 39.883 1.00 0.00 H new ATOM 1056 N TYR B 15 97.095 -22.971 39.611 1.00 0.00 N ATOM 1057 CA TYR B 15 97.586 -21.613 39.994 1.00 0.00 C ATOM 1058 C TYR B 15 96.671 -21.017 41.068 1.00 0.00 C ATOM 1059 O TYR B 15 97.003 -20.034 41.699 1.00 0.00 O ATOM 1060 CB TYR B 15 97.589 -20.708 38.762 1.00 0.00 C ATOM 1061 CG TYR B 15 98.637 -21.200 37.790 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.994 -21.016 38.075 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.251 -21.849 36.610 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.967 -21.476 37.180 1.00 0.00 C ATOM 1065 CE2 TYR B 15 99.224 -22.310 35.715 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.582 -22.124 36.000 1.00 0.00 C ATOM 1067 OH TYR B 15 101.541 -22.579 35.118 1.00 0.00 O ATOM 0 H TYR B 15 96.462 -22.994 38.812 1.00 0.00 H new ATOM 0 HA TYR B 15 98.599 -21.692 40.390 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.607 -20.712 38.290 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.799 -19.678 39.052 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.291 -20.519 38.986 1.00 0.00 H new ATOM 0 HD2 TYR B 15 97.203 -21.994 36.391 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.014 -21.331 37.400 1.00 0.00 H new ATOM 0 HE2 TYR B 15 98.927 -22.809 34.805 1.00 0.00 H new ATOM 0 HH TYR B 15 102.274 -21.930 35.068 1.00 0.00 H new ATOM 1077 N HIS B 16 95.527 -21.610 41.284 1.00 0.00 N ATOM 1078 CA HIS B 16 94.591 -21.093 42.328 1.00 0.00 C ATOM 1079 C HIS B 16 94.207 -19.643 42.018 1.00 0.00 C ATOM 1080 O HIS B 16 93.965 -19.281 40.884 1.00 0.00 O ATOM 1081 CB HIS B 16 95.262 -21.169 43.703 1.00 0.00 C ATOM 1082 CG HIS B 16 95.870 -22.533 43.882 1.00 0.00 C ATOM 1083 ND1 HIS B 16 95.102 -23.656 44.162 1.00 0.00 N ATOM 1084 CD2 HIS B 16 97.170 -22.975 43.815 1.00 0.00 C ATOM 1085 CE1 HIS B 16 95.938 -24.708 44.250 1.00 0.00 C ATOM 1086 NE2 HIS B 16 97.205 -24.345 44.047 1.00 0.00 N ATOM 0 H HIS B 16 95.198 -22.434 40.781 1.00 0.00 H new ATOM 0 HA HIS B 16 93.689 -21.704 42.332 1.00 0.00 H new ATOM 0 HB2 HIS B 16 96.031 -20.401 43.789 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.531 -20.978 44.489 1.00 0.00 H new ATOM 0 HD2 HIS B 16 98.030 -22.354 43.613 1.00 0.00 H new ATOM 0 HE1 HIS B 16 95.622 -25.719 44.459 1.00 0.00 H new ATOM 0 HE2 HIS B 16 98.028 -24.947 44.059 1.00 0.00 H new ATOM 1095 N SER B 17 94.135 -18.815 43.026 1.00 0.00 N ATOM 1096 CA SER B 17 93.750 -17.389 42.809 1.00 0.00 C ATOM 1097 C SER B 17 94.983 -16.563 42.426 1.00 0.00 C ATOM 1098 O SER B 17 94.892 -15.369 42.214 1.00 0.00 O ATOM 1099 CB SER B 17 93.139 -16.826 44.092 1.00 0.00 C ATOM 1100 OG SER B 17 92.456 -15.615 43.791 1.00 0.00 O ATOM 0 H SER B 17 94.327 -19.066 43.996 1.00 0.00 H new ATOM 0 HA SER B 17 93.021 -17.336 42.000 1.00 0.00 H new ATOM 0 HB2 SER B 17 92.449 -17.548 44.528 1.00 0.00 H new ATOM 0 HB3 SER B 17 93.919 -16.644 44.831 1.00 0.00 H new ATOM 0 HG SER B 17 93.007 -15.068 43.193 1.00 0.00 H new ATOM 1106 N ASN B 18 96.134 -17.175 42.340 1.00 0.00 N ATOM 1107 CA ASN B 18 97.356 -16.397 41.976 1.00 0.00 C ATOM 1108 C ASN B 18 97.400 -16.179 40.465 1.00 0.00 C ATOM 1109 O ASN B 18 98.063 -16.897 39.743 1.00 0.00 O ATOM 1110 CB ASN B 18 98.608 -17.168 42.400 1.00 0.00 C ATOM 1111 CG ASN B 18 98.720 -17.178 43.924 1.00 0.00 C ATOM 1112 OD1 ASN B 18 98.127 -16.357 44.594 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.473 -18.073 44.501 1.00 0.00 N ATOM 0 H ASN B 18 96.282 -18.171 42.504 1.00 0.00 H new ATOM 0 HA ASN B 18 97.325 -15.435 42.487 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.562 -18.190 42.023 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.495 -16.707 41.964 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.565 -18.084 45.517 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.970 -18.762 43.936 1.00 0.00 H new ATOM 1120 N TRP B 19 96.707 -15.188 39.980 1.00 0.00 N ATOM 1121 CA TRP B 19 96.723 -14.921 38.518 1.00 0.00 C ATOM 1122 C TRP B 19 98.089 -14.351 38.119 1.00 0.00 C ATOM 1123 O TRP B 19 98.503 -14.447 36.981 1.00 0.00 O ATOM 1124 CB TRP B 19 95.617 -13.923 38.163 1.00 0.00 C ATOM 1125 CG TRP B 19 95.853 -12.630 38.875 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.284 -12.272 40.050 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.707 -11.521 38.479 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.732 -11.010 40.396 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.613 -10.505 39.459 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.546 -11.299 37.373 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 97.326 -9.312 39.346 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 98.266 -10.101 37.255 1.00 0.00 C ATOM 1133 CH2 TRP B 19 98.156 -9.108 38.240 1.00 0.00 C ATOM 0 H TRP B 19 96.131 -14.553 40.533 1.00 0.00 H new ATOM 0 HA TRP B 19 96.549 -15.851 37.976 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.597 -13.757 37.086 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.645 -14.330 38.441 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.594 -12.873 40.623 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.447 -10.513 41.240 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.637 -12.056 36.609 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.238 -8.551 40.107 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.908 -9.942 36.401 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.712 -8.187 38.144 1.00 0.00 H new ATOM 1144 N ARG B 20 98.794 -13.751 39.046 1.00 0.00 N ATOM 1145 CA ARG B 20 100.131 -13.176 38.712 1.00 0.00 C ATOM 1146 C ARG B 20 101.065 -14.272 38.204 1.00 0.00 C ATOM 1147 O ARG B 20 101.819 -14.075 37.271 1.00 0.00 O ATOM 1148 CB ARG B 20 100.738 -12.527 39.956 1.00 0.00 C ATOM 1149 CG ARG B 20 99.956 -11.258 40.294 1.00 0.00 C ATOM 1150 CD ARG B 20 100.554 -10.597 41.538 1.00 0.00 C ATOM 1151 NE ARG B 20 99.786 -9.360 41.847 1.00 0.00 N ATOM 1152 CZ ARG B 20 99.911 -8.782 43.010 1.00 0.00 C ATOM 1153 NH1 ARG B 20 100.687 -9.303 43.920 1.00 0.00 N ATOM 1154 NH2 ARG B 20 99.254 -7.684 43.262 1.00 0.00 N ATOM 0 H ARG B 20 98.502 -13.635 40.016 1.00 0.00 H new ATOM 0 HA ARG B 20 100.006 -12.425 37.932 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.707 -13.222 40.795 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.786 -12.286 39.780 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.987 -10.566 39.453 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.908 -11.501 40.468 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.517 -11.284 42.384 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.603 -10.356 41.368 1.00 0.00 H new ATOM 0 HE ARG B 20 99.160 -8.963 41.147 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.197 -10.164 43.723 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.783 -8.850 44.829 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.645 -7.280 42.551 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.349 -7.230 44.170 1.00 0.00 H new ATOM 1168 N ALA B 21 101.020 -15.428 38.802 1.00 0.00 N ATOM 1169 CA ALA B 21 101.905 -16.530 38.339 1.00 0.00 C ATOM 1170 C ALA B 21 101.489 -16.928 36.922 1.00 0.00 C ATOM 1171 O ALA B 21 102.313 -17.194 36.071 1.00 0.00 O ATOM 1172 CB ALA B 21 101.769 -17.730 39.281 1.00 0.00 C ATOM 0 H ALA B 21 100.411 -15.657 39.588 1.00 0.00 H new ATOM 0 HA ALA B 21 102.944 -16.201 38.339 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.418 -18.536 38.940 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.057 -17.435 40.290 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.735 -18.074 39.285 1.00 0.00 H new ATOM 1178 N MET B 22 100.210 -16.962 36.666 1.00 0.00 N ATOM 1179 CA MET B 22 99.727 -17.331 35.305 1.00 0.00 C ATOM 1180 C MET B 22 100.281 -16.335 34.283 1.00 0.00 C ATOM 1181 O MET B 22 100.769 -16.707 33.234 1.00 0.00 O ATOM 1182 CB MET B 22 98.198 -17.267 35.281 1.00 0.00 C ATOM 1183 CG MET B 22 97.674 -17.890 33.985 1.00 0.00 C ATOM 1184 SD MET B 22 95.941 -17.424 33.744 1.00 0.00 S ATOM 1185 CE MET B 22 95.310 -18.041 35.324 1.00 0.00 C ATOM 0 H MET B 22 99.477 -16.750 37.342 1.00 0.00 H new ATOM 0 HA MET B 22 100.063 -18.338 35.059 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.789 -17.797 36.141 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.867 -16.231 35.357 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.273 -17.552 33.139 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.767 -18.975 34.028 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.237 -18.218 35.243 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.813 -18.974 35.578 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.499 -17.303 36.104 1.00 0.00 H new ATOM 1195 N ALA B 23 100.203 -15.067 34.586 1.00 0.00 N ATOM 1196 CA ALA B 23 100.713 -14.033 33.642 1.00 0.00 C ATOM 1197 C ALA B 23 102.208 -14.257 33.390 1.00 0.00 C ATOM 1198 O ALA B 23 102.692 -14.105 32.285 1.00 0.00 O ATOM 1199 CB ALA B 23 100.508 -12.646 34.260 1.00 0.00 C ATOM 0 H ALA B 23 99.806 -14.702 35.452 1.00 0.00 H new ATOM 0 HA ALA B 23 100.173 -14.103 32.698 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.879 -11.884 33.575 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.446 -12.483 34.444 1.00 0.00 H new ATOM 0 HB3 ALA B 23 101.053 -12.583 35.202 1.00 0.00 H new ATOM 1205 N SER B 24 102.941 -14.601 34.412 1.00 0.00 N ATOM 1206 CA SER B 24 104.408 -14.821 34.252 1.00 0.00 C ATOM 1207 C SER B 24 104.680 -16.060 33.392 1.00 0.00 C ATOM 1208 O SER B 24 105.587 -16.075 32.584 1.00 0.00 O ATOM 1209 CB SER B 24 105.040 -15.020 35.629 1.00 0.00 C ATOM 1210 OG SER B 24 106.455 -15.072 35.493 1.00 0.00 O ATOM 0 H SER B 24 102.586 -14.740 35.358 1.00 0.00 H new ATOM 0 HA SER B 24 104.840 -13.950 33.760 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.757 -14.204 36.293 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.672 -15.941 36.081 1.00 0.00 H new ATOM 0 HG SER B 24 106.864 -15.198 36.375 1.00 0.00 H new ATOM 1216 N ASP B 25 103.920 -17.103 33.574 1.00 0.00 N ATOM 1217 CA ASP B 25 104.160 -18.345 32.782 1.00 0.00 C ATOM 1218 C ASP B 25 103.780 -18.123 31.317 1.00 0.00 C ATOM 1219 O ASP B 25 104.461 -18.576 30.418 1.00 0.00 O ATOM 1220 CB ASP B 25 103.308 -19.474 33.358 1.00 0.00 C ATOM 1221 CG ASP B 25 103.858 -19.880 34.726 1.00 0.00 C ATOM 1222 OD1 ASP B 25 105.039 -19.673 34.953 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.091 -20.396 35.522 1.00 0.00 O ATOM 0 H ASP B 25 103.144 -17.151 34.235 1.00 0.00 H new ATOM 0 HA ASP B 25 105.217 -18.605 32.837 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.272 -19.150 33.452 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.314 -20.330 32.683 1.00 0.00 H new ATOM 1228 N PHE B 26 102.705 -17.428 31.070 1.00 0.00 N ATOM 1229 CA PHE B 26 102.277 -17.165 29.658 1.00 0.00 C ATOM 1230 C PHE B 26 102.737 -15.763 29.244 1.00 0.00 C ATOM 1231 O PHE B 26 102.505 -15.324 28.135 1.00 0.00 O ATOM 1232 CB PHE B 26 100.753 -17.272 29.562 1.00 0.00 C ATOM 1233 CG PHE B 26 100.343 -18.719 29.727 1.00 0.00 C ATOM 1234 CD1 PHE B 26 100.100 -19.240 31.004 1.00 0.00 C ATOM 1235 CD2 PHE B 26 100.204 -19.542 28.599 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.722 -20.581 31.153 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.825 -20.881 28.750 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.585 -21.401 30.027 1.00 0.00 C ATOM 0 H PHE B 26 102.099 -17.027 31.785 1.00 0.00 H new ATOM 0 HA PHE B 26 102.727 -17.899 28.990 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.285 -16.659 30.332 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.410 -16.892 28.600 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.204 -18.608 31.874 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.390 -19.142 27.613 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.536 -20.982 32.138 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.718 -21.513 27.881 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.294 -22.435 30.144 1.00 0.00 H new ATOM 1248 N ASN B 27 103.400 -15.065 30.130 1.00 0.00 N ATOM 1249 CA ASN B 27 103.897 -13.696 29.799 1.00 0.00 C ATOM 1250 C ASN B 27 102.752 -12.827 29.270 1.00 0.00 C ATOM 1251 O ASN B 27 102.921 -12.079 28.328 1.00 0.00 O ATOM 1252 CB ASN B 27 104.992 -13.789 28.731 1.00 0.00 C ATOM 1253 CG ASN B 27 106.218 -14.503 29.303 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.528 -14.338 30.560 1.00 0.00 O flip ATOM 1255 ND2 ASN B 27 106.900 -15.221 28.600 1.00 0.00 N flip ATOM 0 H ASN B 27 103.619 -15.386 31.073 1.00 0.00 H new ATOM 0 HA ASN B 27 104.301 -13.244 30.705 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.619 -14.329 27.861 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.267 -12.790 28.392 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.659 -15.351 27.617 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.714 -15.694 28.992 1.00 0.00 H new ATOM 1262 N LEU B 28 101.588 -12.918 29.867 1.00 0.00 N ATOM 1263 CA LEU B 28 100.423 -12.097 29.402 1.00 0.00 C ATOM 1264 C LEU B 28 100.128 -11.001 30.434 1.00 0.00 C ATOM 1265 O LEU B 28 100.390 -11.174 31.607 1.00 0.00 O ATOM 1266 CB LEU B 28 99.198 -13.003 29.278 1.00 0.00 C ATOM 1267 CG LEU B 28 99.360 -13.952 28.079 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.384 -15.123 28.226 1.00 0.00 C ATOM 1269 CD2 LEU B 28 99.069 -13.208 26.761 1.00 0.00 C ATOM 0 H LEU B 28 101.393 -13.528 30.660 1.00 0.00 H new ATOM 0 HA LEU B 28 100.654 -11.642 28.439 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.069 -13.580 30.194 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.300 -12.398 29.154 1.00 0.00 H new ATOM 0 HG LEU B 28 100.385 -14.321 28.056 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.496 -15.798 27.378 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.598 -15.661 29.149 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.363 -14.744 28.256 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.188 -13.894 25.922 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.048 -12.827 26.776 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.765 -12.376 26.651 1.00 0.00 H new ATOM 1281 N PRO B 29 99.583 -9.879 30.015 1.00 0.00 N ATOM 1282 CA PRO B 29 99.257 -8.765 30.953 1.00 0.00 C ATOM 1283 C PRO B 29 98.046 -9.108 31.844 1.00 0.00 C ATOM 1284 O PRO B 29 97.194 -9.883 31.455 1.00 0.00 O ATOM 1285 CB PRO B 29 98.941 -7.583 30.023 1.00 0.00 C ATOM 1286 CG PRO B 29 98.470 -8.209 28.749 1.00 0.00 C ATOM 1287 CD PRO B 29 99.218 -9.543 28.624 1.00 0.00 C ATOM 0 HA PRO B 29 100.072 -8.554 31.645 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.175 -6.937 30.452 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.823 -6.965 29.857 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.392 -8.368 28.769 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.681 -7.563 27.897 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.588 -10.314 28.179 1.00 0.00 H new ATOM 0 HD3 PRO B 29 100.101 -9.448 27.991 1.00 0.00 H new ATOM 1295 N PRO B 30 97.963 -8.538 33.023 1.00 0.00 N ATOM 1296 CA PRO B 30 96.828 -8.801 33.956 1.00 0.00 C ATOM 1297 C PRO B 30 95.467 -8.832 33.242 1.00 0.00 C ATOM 1298 O PRO B 30 94.516 -9.405 33.734 1.00 0.00 O ATOM 1299 CB PRO B 30 96.890 -7.624 34.939 1.00 0.00 C ATOM 1300 CG PRO B 30 98.326 -7.192 34.961 1.00 0.00 C ATOM 1301 CD PRO B 30 98.933 -7.586 33.605 1.00 0.00 C ATOM 0 HA PRO B 30 96.917 -9.778 34.431 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.241 -6.810 34.617 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.556 -7.925 35.932 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.403 -6.116 35.120 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.862 -7.675 35.778 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.067 -6.715 32.963 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.914 -8.045 33.728 1.00 0.00 H new ATOM 1309 N VAL B 31 95.358 -8.201 32.103 1.00 0.00 N ATOM 1310 CA VAL B 31 94.045 -8.183 31.395 1.00 0.00 C ATOM 1311 C VAL B 31 93.601 -9.612 31.061 1.00 0.00 C ATOM 1312 O VAL B 31 92.480 -10.000 31.316 1.00 0.00 O ATOM 1313 CB VAL B 31 94.171 -7.381 30.090 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.904 -7.564 29.235 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.350 -5.896 30.422 1.00 0.00 C ATOM 0 H VAL B 31 96.114 -7.701 31.636 1.00 0.00 H new ATOM 0 HA VAL B 31 93.305 -7.718 32.047 1.00 0.00 H new ATOM 0 HB VAL B 31 95.035 -7.741 29.531 1.00 0.00 H new ATOM 0 HG11 VAL B 31 93.002 -6.992 28.312 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.776 -8.620 28.996 1.00 0.00 H new ATOM 0 HG13 VAL B 31 92.036 -7.210 29.791 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.440 -5.325 29.498 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.486 -5.542 30.985 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.252 -5.763 31.020 1.00 0.00 H new ATOM 1325 N VAL B 32 94.460 -10.390 30.469 1.00 0.00 N ATOM 1326 CA VAL B 32 94.064 -11.779 30.100 1.00 0.00 C ATOM 1327 C VAL B 32 94.013 -12.677 31.339 1.00 0.00 C ATOM 1328 O VAL B 32 93.107 -13.470 31.495 1.00 0.00 O ATOM 1329 CB VAL B 32 95.070 -12.346 29.105 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.649 -13.762 28.703 1.00 0.00 C ATOM 1331 CG2 VAL B 32 95.119 -11.450 27.866 1.00 0.00 C ATOM 0 H VAL B 32 95.415 -10.128 30.225 1.00 0.00 H new ATOM 0 HA VAL B 32 93.071 -11.749 29.651 1.00 0.00 H new ATOM 0 HB VAL B 32 96.058 -12.382 29.564 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.368 -14.167 27.991 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.617 -14.397 29.588 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.661 -13.731 28.243 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.838 -11.854 27.153 1.00 0.00 H new ATOM 0 HG22 VAL B 32 94.132 -11.413 27.405 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.422 -10.444 28.156 1.00 0.00 H new ATOM 1341 N ALA B 33 94.974 -12.575 32.217 1.00 0.00 N ATOM 1342 CA ALA B 33 94.956 -13.449 33.424 1.00 0.00 C ATOM 1343 C ALA B 33 93.681 -13.182 34.225 1.00 0.00 C ATOM 1344 O ALA B 33 92.963 -14.092 34.588 1.00 0.00 O ATOM 1345 CB ALA B 33 96.193 -13.173 34.289 1.00 0.00 C ATOM 0 H ALA B 33 95.763 -11.931 32.152 1.00 0.00 H new ATOM 0 HA ALA B 33 94.973 -14.494 33.116 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.172 -13.816 35.169 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.094 -13.378 33.711 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.192 -12.129 34.602 1.00 0.00 H new ATOM 1351 N LYS B 34 93.384 -11.943 34.489 1.00 0.00 N ATOM 1352 CA LYS B 34 92.145 -11.625 35.250 1.00 0.00 C ATOM 1353 C LYS B 34 90.920 -12.138 34.492 1.00 0.00 C ATOM 1354 O LYS B 34 89.988 -12.652 35.079 1.00 0.00 O ATOM 1355 CB LYS B 34 92.039 -10.113 35.454 1.00 0.00 C ATOM 1356 CG LYS B 34 93.092 -9.670 36.472 1.00 0.00 C ATOM 1357 CD LYS B 34 93.001 -8.158 36.692 1.00 0.00 C ATOM 1358 CE LYS B 34 94.048 -7.727 37.724 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.556 -8.052 39.092 1.00 0.00 N ATOM 0 H LYS B 34 93.944 -11.137 34.212 1.00 0.00 H new ATOM 0 HA LYS B 34 92.187 -12.115 36.223 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.190 -9.594 34.507 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.042 -9.850 35.806 1.00 0.00 H new ATOM 0 HG2 LYS B 34 92.940 -10.193 37.416 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.088 -9.935 36.117 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.165 -7.633 35.751 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.003 -7.890 37.037 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.993 -8.236 37.535 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.240 -6.657 37.639 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.234 -7.699 39.798 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.631 -7.601 39.245 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.459 -9.083 39.190 1.00 0.00 H new ATOM 1373 N GLU B 35 90.906 -12.002 33.195 1.00 0.00 N ATOM 1374 CA GLU B 35 89.731 -12.484 32.414 1.00 0.00 C ATOM 1375 C GLU B 35 89.570 -13.994 32.608 1.00 0.00 C ATOM 1376 O GLU B 35 88.472 -14.495 32.737 1.00 0.00 O ATOM 1377 CB GLU B 35 89.936 -12.179 30.926 1.00 0.00 C ATOM 1378 CG GLU B 35 88.601 -12.298 30.180 1.00 0.00 C ATOM 1379 CD GLU B 35 88.156 -13.762 30.141 1.00 0.00 C ATOM 1380 OE1 GLU B 35 88.884 -14.567 29.584 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.098 -14.053 30.675 1.00 0.00 O ATOM 0 H GLU B 35 91.653 -11.580 32.644 1.00 0.00 H new ATOM 0 HA GLU B 35 88.834 -11.974 32.766 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.342 -11.175 30.804 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.663 -12.871 30.501 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.843 -11.691 30.675 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.706 -11.913 29.166 1.00 0.00 H new ATOM 1388 N ILE B 36 90.650 -14.726 32.631 1.00 0.00 N ATOM 1389 CA ILE B 36 90.532 -16.198 32.819 1.00 0.00 C ATOM 1390 C ILE B 36 89.877 -16.462 34.176 1.00 0.00 C ATOM 1391 O ILE B 36 89.027 -17.320 34.310 1.00 0.00 O ATOM 1392 CB ILE B 36 91.918 -16.844 32.751 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.475 -16.684 31.332 1.00 0.00 C ATOM 1394 CG2 ILE B 36 91.800 -18.332 33.080 1.00 0.00 C ATOM 1395 CD1 ILE B 36 93.949 -17.096 31.301 1.00 0.00 C ATOM 0 H ILE B 36 91.601 -14.372 32.529 1.00 0.00 H new ATOM 0 HA ILE B 36 89.919 -16.632 32.030 1.00 0.00 H new ATOM 0 HB ILE B 36 92.584 -16.363 33.467 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.902 -17.297 30.636 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.371 -15.649 31.006 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.786 -18.794 33.032 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.391 -18.451 34.083 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.138 -18.813 32.359 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.338 -16.980 30.289 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.518 -16.464 31.983 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.042 -18.138 31.608 1.00 0.00 H new ATOM 1407 N VAL B 37 90.242 -15.706 35.176 1.00 0.00 N ATOM 1408 CA VAL B 37 89.612 -15.885 36.515 1.00 0.00 C ATOM 1409 C VAL B 37 88.129 -15.531 36.394 1.00 0.00 C ATOM 1410 O VAL B 37 87.270 -16.181 36.956 1.00 0.00 O ATOM 1411 CB VAL B 37 90.289 -14.943 37.518 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.487 -14.904 38.820 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.704 -15.449 37.815 1.00 0.00 C ATOM 0 H VAL B 37 90.949 -14.973 35.123 1.00 0.00 H new ATOM 0 HA VAL B 37 89.724 -16.913 36.859 1.00 0.00 H new ATOM 0 HB VAL B 37 90.335 -13.941 37.092 1.00 0.00 H new ATOM 0 HG11 VAL B 37 89.974 -14.233 39.527 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.478 -14.545 38.615 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.436 -15.906 39.246 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.187 -14.781 38.528 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.650 -16.453 38.237 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.283 -15.474 36.892 1.00 0.00 H new ATOM 1423 N ALA B 38 87.832 -14.499 35.654 1.00 0.00 N ATOM 1424 CA ALA B 38 86.416 -14.081 35.471 1.00 0.00 C ATOM 1425 C ALA B 38 85.632 -15.193 34.763 1.00 0.00 C ATOM 1426 O ALA B 38 84.417 -15.198 34.758 1.00 0.00 O ATOM 1427 CB ALA B 38 86.370 -12.800 34.630 1.00 0.00 C ATOM 0 H ALA B 38 88.517 -13.923 35.164 1.00 0.00 H new ATOM 0 HA ALA B 38 85.965 -13.894 36.445 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.334 -12.491 34.494 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.920 -12.010 35.141 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.823 -12.987 33.657 1.00 0.00 H new ATOM 1433 N SER B 39 86.313 -16.130 34.151 1.00 0.00 N ATOM 1434 CA SER B 39 85.597 -17.228 33.431 1.00 0.00 C ATOM 1435 C SER B 39 85.455 -18.443 34.348 1.00 0.00 C ATOM 1436 O SER B 39 84.446 -19.119 34.344 1.00 0.00 O ATOM 1437 CB SER B 39 86.401 -17.628 32.193 1.00 0.00 C ATOM 1438 OG SER B 39 86.522 -16.505 31.328 1.00 0.00 O ATOM 0 H SER B 39 87.331 -16.182 34.119 1.00 0.00 H new ATOM 0 HA SER B 39 84.608 -16.878 33.136 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.389 -17.984 32.486 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.907 -18.450 31.674 1.00 0.00 H new ATOM 0 HG SER B 39 87.086 -15.825 31.752 1.00 0.00 H new ATOM 1444 N CYS B 40 86.449 -18.723 35.139 1.00 0.00 N ATOM 1445 CA CYS B 40 86.352 -19.889 36.059 1.00 0.00 C ATOM 1446 C CYS B 40 85.162 -19.681 36.994 1.00 0.00 C ATOM 1447 O CYS B 40 84.986 -18.622 37.558 1.00 0.00 O ATOM 1448 CB CYS B 40 87.634 -20.001 36.880 1.00 0.00 C ATOM 1449 SG CYS B 40 87.673 -21.601 37.725 1.00 0.00 S ATOM 0 H CYS B 40 87.322 -18.198 35.190 1.00 0.00 H new ATOM 0 HA CYS B 40 86.216 -20.805 35.484 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.504 -19.899 36.231 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.684 -19.192 37.609 1.00 0.00 H new ATOM 1454 N ASP B 41 84.342 -20.680 37.166 1.00 0.00 N ATOM 1455 CA ASP B 41 83.166 -20.527 38.067 1.00 0.00 C ATOM 1456 C ASP B 41 83.610 -20.652 39.526 1.00 0.00 C ATOM 1457 O ASP B 41 83.001 -20.096 40.418 1.00 0.00 O ATOM 1458 CB ASP B 41 82.137 -21.615 37.753 1.00 0.00 C ATOM 1459 CG ASP B 41 81.499 -21.338 36.391 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.525 -20.195 35.968 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.987 -22.274 35.798 1.00 0.00 O ATOM 0 H ASP B 41 84.435 -21.594 36.723 1.00 0.00 H new ATOM 0 HA ASP B 41 82.719 -19.545 37.910 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.617 -22.594 37.749 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.370 -21.639 38.527 1.00 0.00 H new ATOM 1466 N LYS B 42 84.656 -21.388 39.780 1.00 0.00 N ATOM 1467 CA LYS B 42 85.121 -21.555 41.186 1.00 0.00 C ATOM 1468 C LYS B 42 85.790 -20.269 41.687 1.00 0.00 C ATOM 1469 O LYS B 42 85.608 -19.868 42.819 1.00 0.00 O ATOM 1470 CB LYS B 42 86.139 -22.698 41.244 1.00 0.00 C ATOM 1471 CG LYS B 42 85.447 -24.029 40.941 1.00 0.00 C ATOM 1472 CD LYS B 42 86.479 -25.160 41.002 1.00 0.00 C ATOM 1473 CE LYS B 42 85.796 -26.495 40.699 1.00 0.00 C ATOM 1474 NZ LYS B 42 84.763 -26.774 41.736 1.00 0.00 N ATOM 0 H LYS B 42 85.208 -21.880 39.077 1.00 0.00 H new ATOM 0 HA LYS B 42 84.261 -21.778 41.817 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.938 -22.522 40.524 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.601 -22.735 42.230 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.649 -24.210 41.661 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.985 -23.996 39.955 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.277 -24.977 40.283 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.941 -25.192 41.989 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.335 -26.464 39.712 1.00 0.00 H new ATOM 0 HE3 LYS B 42 86.534 -27.297 40.681 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.555 -27.793 41.753 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 85.117 -26.477 42.668 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 83.895 -26.247 41.512 1.00 0.00 H new ATOM 1488 N CYS B 43 86.573 -19.624 40.859 1.00 0.00 N ATOM 1489 CA CYS B 43 87.263 -18.371 41.298 1.00 0.00 C ATOM 1490 C CYS B 43 86.364 -17.152 41.063 1.00 0.00 C ATOM 1491 O CYS B 43 86.754 -16.030 41.317 1.00 0.00 O ATOM 1492 CB CYS B 43 88.577 -18.204 40.533 1.00 0.00 C ATOM 1493 SG CYS B 43 89.593 -19.688 40.751 1.00 0.00 S ATOM 0 H CYS B 43 86.765 -19.910 39.899 1.00 0.00 H new ATOM 0 HA CYS B 43 87.475 -18.447 42.364 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.376 -18.040 39.474 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.113 -17.327 40.895 1.00 0.00 H new ATOM 1498 N GLN B 44 85.168 -17.353 40.580 1.00 0.00 N ATOM 1499 CA GLN B 44 84.266 -16.191 40.336 1.00 0.00 C ATOM 1500 C GLN B 44 83.663 -15.729 41.662 1.00 0.00 C ATOM 1501 O GLN B 44 83.973 -14.667 42.164 1.00 0.00 O ATOM 1502 CB GLN B 44 83.131 -16.603 39.393 1.00 0.00 C ATOM 1503 CG GLN B 44 82.303 -15.373 39.003 1.00 0.00 C ATOM 1504 CD GLN B 44 83.141 -14.460 38.106 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.731 -14.912 37.144 1.00 0.00 O ATOM 1506 NE2 GLN B 44 83.219 -13.185 38.377 1.00 0.00 N ATOM 0 H GLN B 44 84.778 -18.266 40.345 1.00 0.00 H new ATOM 0 HA GLN B 44 84.841 -15.382 39.885 1.00 0.00 H new ATOM 0 HB2 GLN B 44 83.542 -17.074 38.500 1.00 0.00 H new ATOM 0 HB3 GLN B 44 82.494 -17.342 39.878 1.00 0.00 H new ATOM 0 HG2 GLN B 44 81.397 -15.681 38.482 1.00 0.00 H new ATOM 0 HG3 GLN B 44 81.989 -14.834 39.897 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.725 -12.804 39.184 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.774 -12.570 37.782 1.00 0.00 H new ATOM 1515 N LEU B 45 82.790 -16.516 42.222 1.00 0.00 N ATOM 1516 CA LEU B 45 82.147 -16.126 43.507 1.00 0.00 C ATOM 1517 C LEU B 45 83.072 -16.467 44.677 1.00 0.00 C ATOM 1518 O LEU B 45 83.833 -17.413 44.628 1.00 0.00 O ATOM 1519 CB LEU B 45 80.833 -16.895 43.661 1.00 0.00 C ATOM 1520 CG LEU B 45 79.964 -16.692 42.416 1.00 0.00 C ATOM 1521 CD1 LEU B 45 78.653 -17.468 42.585 1.00 0.00 C ATOM 1522 CD2 LEU B 45 79.659 -15.197 42.223 1.00 0.00 C ATOM 0 H LEU B 45 82.493 -17.416 41.845 1.00 0.00 H new ATOM 0 HA LEU B 45 81.954 -15.053 43.505 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.037 -17.956 43.804 1.00 0.00 H new ATOM 0 HB3 LEU B 45 80.301 -16.550 44.547 1.00 0.00 H new ATOM 0 HG LEU B 45 80.498 -17.058 41.539 1.00 0.00 H new ATOM 0 HD11 LEU B 45 78.030 -17.327 41.702 1.00 0.00 H new ATOM 0 HD12 LEU B 45 78.871 -18.529 42.710 1.00 0.00 H new ATOM 0 HD13 LEU B 45 78.124 -17.101 43.464 1.00 0.00 H new ATOM 0 HD21 LEU B 45 79.041 -15.063 41.335 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.127 -14.819 43.096 1.00 0.00 H new ATOM 0 HD23 LEU B 45 80.593 -14.648 42.101 1.00 0.00 H new ATOM 1534 N LYS B 46 82.998 -15.708 45.736 1.00 0.00 N ATOM 1535 CA LYS B 46 83.856 -15.986 46.923 1.00 0.00 C ATOM 1536 C LYS B 46 83.275 -17.158 47.708 1.00 0.00 C ATOM 1537 O LYS B 46 82.210 -17.654 47.401 1.00 0.00 O ATOM 1538 CB LYS B 46 83.919 -14.755 47.827 1.00 0.00 C ATOM 1539 CG LYS B 46 84.729 -13.652 47.145 1.00 0.00 C ATOM 1540 CD LYS B 46 84.785 -12.427 48.059 1.00 0.00 C ATOM 1541 CE LYS B 46 85.602 -11.324 47.384 1.00 0.00 C ATOM 1542 NZ LYS B 46 85.698 -10.150 48.297 1.00 0.00 N ATOM 0 H LYS B 46 82.378 -14.904 45.831 1.00 0.00 H new ATOM 0 HA LYS B 46 84.862 -16.232 46.583 1.00 0.00 H new ATOM 0 HB2 LYS B 46 82.912 -14.399 48.042 1.00 0.00 H new ATOM 0 HB3 LYS B 46 84.375 -15.017 48.782 1.00 0.00 H new ATOM 0 HG2 LYS B 46 85.737 -14.006 46.930 1.00 0.00 H new ATOM 0 HG3 LYS B 46 84.273 -13.387 46.191 1.00 0.00 H new ATOM 0 HD2 LYS B 46 83.777 -12.070 48.269 1.00 0.00 H new ATOM 0 HD3 LYS B 46 85.235 -12.694 49.015 1.00 0.00 H new ATOM 0 HE2 LYS B 46 86.599 -11.692 47.141 1.00 0.00 H new ATOM 0 HE3 LYS B 46 85.132 -11.031 46.445 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 86.253 -9.399 47.840 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 84.743 -9.795 48.508 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 86.164 -10.435 49.182 1.00 0.00 H new ATOM 1556 N GLY B 47 83.980 -17.609 48.713 1.00 0.00 N ATOM 1557 CA GLY B 47 83.490 -18.757 49.530 1.00 0.00 C ATOM 1558 C GLY B 47 81.983 -18.626 49.787 1.00 0.00 C ATOM 1559 O GLY B 47 81.173 -19.075 49.001 1.00 0.00 O ATOM 0 H GLY B 47 84.880 -17.228 49.004 1.00 0.00 H new ATOM 0 HA2 GLY B 47 83.697 -19.694 49.013 1.00 0.00 H new ATOM 0 HA3 GLY B 47 84.026 -18.791 50.479 1.00 0.00 H new ATOM 1563 N GLU B 48 81.601 -18.024 50.883 1.00 0.00 N ATOM 1564 CA GLU B 48 80.144 -17.877 51.190 1.00 0.00 C ATOM 1565 C GLU B 48 79.600 -16.570 50.598 1.00 0.00 C ATOM 1566 O GLU B 48 78.420 -16.292 50.678 1.00 0.00 O ATOM 1567 CB GLU B 48 79.946 -17.867 52.706 1.00 0.00 C ATOM 1568 CG GLU B 48 80.235 -19.261 53.266 1.00 0.00 C ATOM 1569 CD GLU B 48 80.038 -19.255 54.782 1.00 0.00 C ATOM 1570 OE1 GLU B 48 79.620 -18.233 55.301 1.00 0.00 O ATOM 1571 OE2 GLU B 48 80.304 -20.274 55.399 1.00 0.00 O ATOM 0 H GLU B 48 82.233 -17.628 51.579 1.00 0.00 H new ATOM 0 HA GLU B 48 79.604 -18.715 50.748 1.00 0.00 H new ATOM 0 HB2 GLU B 48 80.609 -17.134 53.165 1.00 0.00 H new ATOM 0 HB3 GLU B 48 78.926 -17.570 52.949 1.00 0.00 H new ATOM 0 HG2 GLU B 48 79.572 -19.994 52.806 1.00 0.00 H new ATOM 0 HG3 GLU B 48 81.255 -19.557 53.023 1.00 0.00 H new ATOM 1578 N ALA B 49 80.440 -15.763 50.008 1.00 0.00 N ATOM 1579 CA ALA B 49 79.952 -14.479 49.420 1.00 0.00 C ATOM 1580 C ALA B 49 79.061 -13.750 50.432 1.00 0.00 C ATOM 1581 O ALA B 49 79.304 -13.780 51.622 1.00 0.00 O ATOM 1582 CB ALA B 49 79.140 -14.778 48.157 1.00 0.00 C ATOM 0 H ALA B 49 81.440 -15.935 49.907 1.00 0.00 H new ATOM 0 HA ALA B 49 80.806 -13.849 49.171 1.00 0.00 H new ATOM 0 HB1 ALA B 49 78.782 -13.844 47.725 1.00 0.00 H new ATOM 0 HB2 ALA B 49 79.770 -15.295 47.433 1.00 0.00 H new ATOM 0 HB3 ALA B 49 78.289 -15.409 48.413 1.00 0.00 H new ATOM 1588 N MET B 50 78.026 -13.106 49.959 1.00 0.00 N ATOM 1589 CA MET B 50 77.092 -12.370 50.868 1.00 0.00 C ATOM 1590 C MET B 50 77.858 -11.644 51.984 1.00 0.00 C ATOM 1591 O MET B 50 78.217 -10.491 51.852 1.00 0.00 O ATOM 1592 CB MET B 50 76.099 -13.362 51.483 1.00 0.00 C ATOM 1593 CG MET B 50 75.046 -12.603 52.293 1.00 0.00 C ATOM 1594 SD MET B 50 73.877 -13.782 53.016 1.00 0.00 S ATOM 1595 CE MET B 50 72.446 -12.678 53.089 1.00 0.00 C ATOM 0 H MET B 50 77.784 -13.057 48.969 1.00 0.00 H new ATOM 0 HA MET B 50 76.558 -11.621 50.283 1.00 0.00 H new ATOM 0 HB2 MET B 50 75.617 -13.944 50.697 1.00 0.00 H new ATOM 0 HB3 MET B 50 76.626 -14.068 52.125 1.00 0.00 H new ATOM 0 HG2 MET B 50 75.526 -12.022 53.080 1.00 0.00 H new ATOM 0 HG3 MET B 50 74.518 -11.897 51.652 1.00 0.00 H new ATOM 0 HE1 MET B 50 71.595 -13.212 53.512 1.00 0.00 H new ATOM 0 HE2 MET B 50 72.682 -11.818 53.715 1.00 0.00 H new ATOM 0 HE3 MET B 50 72.197 -12.338 52.084 1.00 0.00 H new ATOM 1605 N HIS B 51 78.089 -12.299 53.090 1.00 0.00 N ATOM 1606 CA HIS B 51 78.804 -11.640 54.223 1.00 0.00 C ATOM 1607 C HIS B 51 80.317 -11.678 53.996 1.00 0.00 C ATOM 1608 O HIS B 51 80.817 -12.420 53.175 1.00 0.00 O ATOM 1609 CB HIS B 51 78.472 -12.371 55.524 1.00 0.00 C ATOM 1610 CG HIS B 51 76.980 -12.408 55.711 1.00 0.00 C ATOM 1611 ND1 HIS B 51 76.258 -11.299 56.130 1.00 0.00 N ATOM 1612 CD2 HIS B 51 76.059 -13.413 55.542 1.00 0.00 C ATOM 1613 CE1 HIS B 51 74.963 -11.661 56.198 1.00 0.00 C ATOM 1614 NE2 HIS B 51 74.791 -12.937 55.850 1.00 0.00 N ATOM 0 H HIS B 51 77.812 -13.266 53.259 1.00 0.00 H new ATOM 0 HA HIS B 51 78.482 -10.600 54.285 1.00 0.00 H new ATOM 0 HB2 HIS B 51 78.871 -13.385 55.496 1.00 0.00 H new ATOM 0 HB3 HIS B 51 78.943 -11.866 56.368 1.00 0.00 H new ATOM 0 HD2 HIS B 51 76.286 -14.418 55.219 1.00 0.00 H new ATOM 0 HE1 HIS B 51 74.163 -11.000 56.497 1.00 0.00 H new ATOM 0 HE2 HIS B 51 73.913 -13.455 55.817 1.00 0.00 H new ATOM 1623 N GLY B 52 81.048 -10.879 54.729 1.00 0.00 N ATOM 1624 CA GLY B 52 82.533 -10.854 54.575 1.00 0.00 C ATOM 1625 C GLY B 52 82.925 -9.799 53.541 1.00 0.00 C ATOM 1626 O GLY B 52 84.040 -9.773 53.059 1.00 0.00 O ATOM 0 H GLY B 52 80.678 -10.239 55.432 1.00 0.00 H new ATOM 0 HA2 GLY B 52 83.004 -10.632 55.532 1.00 0.00 H new ATOM 0 HA3 GLY B 52 82.893 -11.834 54.263 1.00 0.00 H new ATOM 1630 N GLN B 53 82.020 -8.925 53.197 1.00 0.00 N ATOM 1631 CA GLN B 53 82.346 -7.872 52.196 1.00 0.00 C ATOM 1632 C GLN B 53 83.143 -6.757 52.874 1.00 0.00 C ATOM 1633 O GLN B 53 82.995 -6.502 54.053 1.00 0.00 O ATOM 1634 CB GLN B 53 81.053 -7.301 51.610 1.00 0.00 C ATOM 1635 CG GLN B 53 80.356 -8.370 50.765 1.00 0.00 C ATOM 1636 CD GLN B 53 81.191 -8.662 49.516 1.00 0.00 C ATOM 1637 OE1 GLN B 53 81.652 -7.753 48.853 1.00 0.00 O ATOM 1638 NE2 GLN B 53 81.409 -9.900 49.167 1.00 0.00 N ATOM 0 H GLN B 53 81.069 -8.895 53.566 1.00 0.00 H new ATOM 0 HA GLN B 53 82.941 -8.305 51.392 1.00 0.00 H new ATOM 0 HB2 GLN B 53 80.393 -6.970 52.412 1.00 0.00 H new ATOM 0 HB3 GLN B 53 81.274 -6.427 50.998 1.00 0.00 H new ATOM 0 HG2 GLN B 53 80.225 -9.281 51.349 1.00 0.00 H new ATOM 0 HG3 GLN B 53 79.361 -8.030 50.478 1.00 0.00 H new ATOM 0 HE21 GLN B 53 81.022 -10.662 49.723 1.00 0.00 H new ATOM 0 HE22 GLN B 53 81.966 -10.106 48.338 1.00 0.00 H new ATOM 1647 N VAL B 54 83.994 -6.098 52.137 1.00 0.00 N ATOM 1648 CA VAL B 54 84.819 -5.002 52.727 1.00 0.00 C ATOM 1649 C VAL B 54 84.119 -3.656 52.525 1.00 0.00 C ATOM 1650 O VAL B 54 84.547 -2.642 53.039 1.00 0.00 O ATOM 1651 CB VAL B 54 86.184 -4.973 52.037 1.00 0.00 C ATOM 1652 CG1 VAL B 54 86.946 -6.259 52.360 1.00 0.00 C ATOM 1653 CG2 VAL B 54 85.988 -4.867 50.522 1.00 0.00 C ATOM 0 H VAL B 54 84.155 -6.272 51.145 1.00 0.00 H new ATOM 0 HA VAL B 54 84.947 -5.181 53.794 1.00 0.00 H new ATOM 0 HB VAL B 54 86.752 -4.113 52.393 1.00 0.00 H new ATOM 0 HG11 VAL B 54 87.919 -6.239 51.869 1.00 0.00 H new ATOM 0 HG12 VAL B 54 87.086 -6.338 53.438 1.00 0.00 H new ATOM 0 HG13 VAL B 54 86.377 -7.118 52.004 1.00 0.00 H new ATOM 0 HG21 VAL B 54 86.960 -4.846 50.030 1.00 0.00 H new ATOM 0 HG22 VAL B 54 85.420 -5.727 50.168 1.00 0.00 H new ATOM 0 HG23 VAL B 54 85.444 -3.952 50.289 1.00 0.00 H new ATOM 1663 N ASP B 55 83.047 -3.635 51.779 1.00 0.00 N ATOM 1664 CA ASP B 55 82.324 -2.348 51.548 1.00 0.00 C ATOM 1665 C ASP B 55 80.845 -2.634 51.280 1.00 0.00 C ATOM 1666 O ASP B 55 80.441 -3.772 51.447 1.00 0.00 O ATOM 1667 CB ASP B 55 82.934 -1.631 50.342 1.00 0.00 C ATOM 1668 CG ASP B 55 82.804 -2.514 49.100 1.00 0.00 C ATOM 1669 OD1 ASP B 55 82.673 -3.716 49.264 1.00 0.00 O ATOM 1670 OD2 ASP B 55 82.844 -1.975 48.006 1.00 0.00 O ATOM 1671 OXT ASP B 55 80.140 -1.707 50.911 1.00 0.00 O ATOM 0 H ASP B 55 82.641 -4.450 51.320 1.00 0.00 H new ATOM 0 HA ASP B 55 82.416 -1.715 52.431 1.00 0.00 H new ATOM 0 HB2 ASP B 55 82.429 -0.679 50.178 1.00 0.00 H new ATOM 0 HB3 ASP B 55 83.983 -1.406 50.532 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 79.669 -1.888 35.865 1.00 0.00 CD HETATM 1678 CD CD B 56 89.967 -21.474 38.888 1.00 0.00 CD