USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 GLN : amide:sc= -3.15 X(o=-6.5,f=-6.4!) USER MOD Set 1.2: B 44 GLN : amide:sc= -3.38! X(o=-6.5!,f=-6.4) USER MOD Set 2.1: B 12 HIS : no HE2:sc= -1.85 K(o=-3.3,f=-6.2!) USER MOD Set 2.2: B 16 HIS : no HD1:sc= -1.09 K(o=-3.3,f=-5.1!) USER MOD Set 2.3: B 40 CYS SG : rot 163:sc= 0.977 USER MOD Set 2.4: B 43 CYS SG : rot 81:sc= -1.37 USER MOD Set 3.1: A 12 HIS : no HE2:sc= -1.76 K(o=-3.3,f=-6.1!) USER MOD Set 3.2: A 16 HIS : no HD1:sc= -1.06 K(o=-3.3,f=-5!) USER MOD Set 3.3: A 40 CYS SG : rot 163:sc= 0.975 USER MOD Set 3.4: A 43 CYS SG : rot 80:sc= -1.43 USER MOD Single : A 1 PHE N :NH3+ 164:sc= 0.665 (180deg=0.351) USER MOD Single : A 7 LYS NZ :NH3+ -159:sc= -0.12 (180deg=-0.711) USER MOD Single : A 9 GLN : amide:sc= -5.98! C(o=-6!,f=-4.1!) USER MOD Single : A 14 LYS NZ :NH3+ -156:sc= 0.0317 (180deg=-1.3) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -61:sc= 0.907 USER MOD Single : A 18 ASN : amide:sc= -0.48 X(o=-0.48,f=-0.011) USER MOD Single : A 22 MET CE :methyl 157:sc= -0.187 (180deg=-1.38) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.339 K(o=-0.34,f=-2.1) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 108:sc= 1.06 USER MOD Single : A 42 LYS NZ :NH3+ -167:sc=-0.00323 (180deg=-0.172) USER MOD Single : B 1 PHE N :NH3+ 160:sc= 0.7 (180deg=0.318) USER MOD Single : B 7 LYS NZ :NH3+ -159:sc= -0.0883 (180deg=-0.677) USER MOD Single : B 9 GLN : amide:sc= -6.26! C(o=-6.3!,f=-4!) USER MOD Single : B 14 LYS NZ :NH3+ -157:sc= -0.0586 (180deg=-1.31) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -75:sc= 0.755 USER MOD Single : B 18 ASN : amide:sc= -0.458 X(o=-0.46,f=-0.0092) USER MOD Single : B 22 MET CE :methyl 162:sc= -0.215 (180deg=-1.35) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.336 K(o=-0.34,f=-2.2) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 112:sc= 0.961 USER MOD Single : B 42 LYS NZ :NH3+ -165:sc=-0.00082 (180deg=-0.181) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.439 -3.656 24.046 1.00 0.00 N ATOM 2 CA PHE A 1 94.198 -4.247 25.393 1.00 0.00 C ATOM 3 C PHE A 1 93.790 -3.140 26.370 1.00 0.00 C ATOM 4 O PHE A 1 92.648 -2.726 26.420 1.00 0.00 O ATOM 5 CB PHE A 1 95.481 -4.913 25.903 1.00 0.00 C ATOM 6 CG PHE A 1 95.735 -6.204 25.157 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.288 -6.174 23.871 1.00 0.00 C ATOM 8 CD2 PHE A 1 95.430 -7.433 25.757 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.535 -7.371 23.186 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.675 -8.629 25.073 1.00 0.00 C ATOM 11 CZ PHE A 1 96.227 -8.598 23.787 1.00 0.00 C ATOM 0 H1 PHE A 1 94.967 -4.333 23.459 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.528 -3.442 23.593 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.991 -2.780 24.145 1.00 0.00 H new ATOM 0 HA PHE A 1 93.404 -4.990 25.321 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.326 -4.237 25.772 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.395 -5.113 26.971 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.524 -5.228 23.407 1.00 0.00 H new ATOM 0 HD2 PHE A 1 95.005 -7.457 26.750 1.00 0.00 H new ATOM 0 HE1 PHE A 1 96.963 -7.348 22.195 1.00 0.00 H new ATOM 0 HE2 PHE A 1 95.438 -9.575 25.537 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.415 -9.521 23.258 1.00 0.00 H new ATOM 23 N LEU A 2 94.722 -2.671 27.151 1.00 0.00 N ATOM 24 CA LEU A 2 94.419 -1.599 28.143 1.00 0.00 C ATOM 25 C LEU A 2 93.960 -0.325 27.430 1.00 0.00 C ATOM 26 O LEU A 2 93.066 0.361 27.884 1.00 0.00 O ATOM 27 CB LEU A 2 95.685 -1.301 28.952 1.00 0.00 C ATOM 28 CG LEU A 2 96.135 -2.563 29.703 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.570 -2.370 30.200 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.213 -2.831 30.905 1.00 0.00 C ATOM 0 H LEU A 2 95.692 -2.987 27.145 1.00 0.00 H new ATOM 0 HA LEU A 2 93.620 -1.937 28.803 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.479 -0.960 28.288 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.493 -0.495 29.660 1.00 0.00 H new ATOM 0 HG LEU A 2 96.085 -3.414 29.024 1.00 0.00 H new ATOM 0 HD11 LEU A 2 97.893 -3.264 30.734 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.229 -2.197 29.350 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.610 -1.512 30.871 1.00 0.00 H new ATOM 0 HD21 LEU A 2 95.546 -3.729 31.426 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.248 -1.982 31.587 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.191 -2.973 30.555 1.00 0.00 H new ATOM 42 N ASP A 3 94.573 0.009 26.330 1.00 0.00 N ATOM 43 CA ASP A 3 94.180 1.253 25.605 1.00 0.00 C ATOM 44 C ASP A 3 92.725 1.162 25.136 1.00 0.00 C ATOM 45 O ASP A 3 91.980 2.120 25.210 1.00 0.00 O ATOM 46 CB ASP A 3 95.083 1.424 24.387 1.00 0.00 C ATOM 47 CG ASP A 3 96.499 1.780 24.841 1.00 0.00 C ATOM 48 OD1 ASP A 3 97.210 0.880 25.258 1.00 0.00 O ATOM 49 OD2 ASP A 3 96.847 2.946 24.768 1.00 0.00 O ATOM 0 H ASP A 3 95.329 -0.524 25.900 1.00 0.00 H new ATOM 0 HA ASP A 3 94.283 2.103 26.279 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.099 0.504 23.802 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.691 2.208 23.739 1.00 0.00 H new ATOM 54 N GLY A 4 92.313 0.023 24.656 1.00 0.00 N ATOM 55 CA GLY A 4 90.905 -0.123 24.183 1.00 0.00 C ATOM 56 C GLY A 4 89.966 -0.145 25.388 1.00 0.00 C ATOM 57 O GLY A 4 88.846 0.321 25.332 1.00 0.00 O ATOM 0 H GLY A 4 92.889 -0.815 24.570 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.645 0.702 23.520 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.797 -1.042 23.606 1.00 0.00 H new ATOM 61 N ILE A 5 90.425 -0.688 26.477 1.00 0.00 N ATOM 62 CA ILE A 5 89.588 -0.759 27.705 1.00 0.00 C ATOM 63 C ILE A 5 89.320 0.651 28.245 1.00 0.00 C ATOM 64 O ILE A 5 88.241 0.947 28.719 1.00 0.00 O ATOM 65 CB ILE A 5 90.316 -1.607 28.758 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.241 -3.087 28.358 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.667 -1.416 30.131 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.272 -3.898 29.150 1.00 0.00 C ATOM 0 H ILE A 5 91.357 -1.091 26.571 1.00 0.00 H new ATOM 0 HA ILE A 5 88.629 -1.221 27.469 1.00 0.00 H new ATOM 0 HB ILE A 5 91.358 -1.291 28.812 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.239 -3.473 28.548 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.426 -3.193 27.289 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.192 -2.022 30.869 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.724 -0.366 30.417 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.622 -1.724 30.086 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.211 -4.947 28.859 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.272 -3.520 28.938 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.067 -3.805 30.216 1.00 0.00 H new ATOM 80 N ASP A 6 90.296 1.511 28.209 1.00 0.00 N ATOM 81 CA ASP A 6 90.095 2.882 28.757 1.00 0.00 C ATOM 82 C ASP A 6 88.961 3.586 28.006 1.00 0.00 C ATOM 83 O ASP A 6 88.140 4.256 28.601 1.00 0.00 O ATOM 84 CB ASP A 6 91.388 3.683 28.595 1.00 0.00 C ATOM 85 CG ASP A 6 91.191 5.093 29.156 1.00 0.00 C ATOM 86 OD1 ASP A 6 91.288 5.247 30.362 1.00 0.00 O ATOM 87 OD2 ASP A 6 90.943 5.993 28.370 1.00 0.00 O ATOM 0 H ASP A 6 91.223 1.326 27.825 1.00 0.00 H new ATOM 0 HA ASP A 6 89.832 2.813 29.813 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.205 3.184 29.116 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.666 3.735 27.542 1.00 0.00 H new ATOM 92 N LYS A 7 88.891 3.435 26.713 1.00 0.00 N ATOM 93 CA LYS A 7 87.785 4.095 25.958 1.00 0.00 C ATOM 94 C LYS A 7 86.465 3.430 26.346 1.00 0.00 C ATOM 95 O LYS A 7 85.448 4.076 26.510 1.00 0.00 O ATOM 96 CB LYS A 7 88.001 3.926 24.453 1.00 0.00 C ATOM 97 CG LYS A 7 89.194 4.765 23.999 1.00 0.00 C ATOM 98 CD LYS A 7 89.394 4.584 22.493 1.00 0.00 C ATOM 99 CE LYS A 7 90.585 5.419 22.026 1.00 0.00 C ATOM 100 NZ LYS A 7 90.355 6.852 22.363 1.00 0.00 N ATOM 0 H LYS A 7 89.543 2.890 26.149 1.00 0.00 H new ATOM 0 HA LYS A 7 87.765 5.158 26.199 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.174 2.876 24.218 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.105 4.230 23.912 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.024 5.816 24.231 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.093 4.461 24.536 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.563 3.532 22.263 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.494 4.887 21.958 1.00 0.00 H new ATOM 0 HE2 LYS A 7 91.499 5.065 22.503 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.722 5.306 20.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 90.954 7.451 21.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 89.355 7.090 22.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 90.596 7.017 23.361 1.00 0.00 H new ATOM 114 N ALA A 8 86.483 2.134 26.490 1.00 0.00 N ATOM 115 CA ALA A 8 85.247 1.391 26.864 1.00 0.00 C ATOM 116 C ALA A 8 84.867 1.715 28.310 1.00 0.00 C ATOM 117 O ALA A 8 83.733 1.551 28.714 1.00 0.00 O ATOM 118 CB ALA A 8 85.501 -0.110 26.725 1.00 0.00 C ATOM 0 H ALA A 8 87.311 1.552 26.363 1.00 0.00 H new ATOM 0 HA ALA A 8 84.431 1.687 26.205 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.599 -0.658 26.998 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.768 -0.340 25.693 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.318 -0.403 27.385 1.00 0.00 H new ATOM 124 N GLN A 9 85.807 2.164 29.096 1.00 0.00 N ATOM 125 CA GLN A 9 85.497 2.486 30.518 1.00 0.00 C ATOM 126 C GLN A 9 84.436 3.588 30.567 1.00 0.00 C ATOM 127 O GLN A 9 84.476 4.537 29.809 1.00 0.00 O ATOM 128 CB GLN A 9 86.776 2.964 31.218 1.00 0.00 C ATOM 129 CG GLN A 9 86.613 2.866 32.738 1.00 0.00 C ATOM 130 CD GLN A 9 85.611 3.919 33.215 1.00 0.00 C ATOM 131 OE1 GLN A 9 85.850 5.104 33.086 1.00 0.00 O ATOM 132 NE2 GLN A 9 84.491 3.536 33.765 1.00 0.00 N ATOM 0 H GLN A 9 86.775 2.322 28.816 1.00 0.00 H new ATOM 0 HA GLN A 9 85.118 1.599 31.025 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.624 2.359 30.896 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.992 3.994 30.933 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.268 1.870 33.013 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.575 3.017 33.228 1.00 0.00 H new ATOM 0 HE21 GLN A 9 84.290 2.542 33.873 1.00 0.00 H new ATOM 0 HE22 GLN A 9 83.817 4.231 34.086 1.00 0.00 H new ATOM 141 N GLU A 10 83.482 3.465 31.451 1.00 0.00 N ATOM 142 CA GLU A 10 82.414 4.499 31.541 1.00 0.00 C ATOM 143 C GLU A 10 81.572 4.259 32.798 1.00 0.00 C ATOM 144 O GLU A 10 81.637 3.212 33.412 1.00 0.00 O ATOM 145 CB GLU A 10 81.532 4.419 30.288 1.00 0.00 C ATOM 146 CG GLU A 10 80.478 5.530 30.319 1.00 0.00 C ATOM 147 CD GLU A 10 79.801 5.632 28.950 1.00 0.00 C ATOM 148 OE1 GLU A 10 79.305 4.623 28.479 1.00 0.00 O ATOM 149 OE2 GLU A 10 79.797 6.719 28.395 1.00 0.00 O ATOM 0 H GLU A 10 83.397 2.694 32.113 1.00 0.00 H new ATOM 0 HA GLU A 10 82.861 5.491 31.603 1.00 0.00 H new ATOM 0 HB2 GLU A 10 82.147 4.515 29.393 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.045 3.445 30.237 1.00 0.00 H new ATOM 0 HG2 GLU A 10 79.735 5.320 31.089 1.00 0.00 H new ATOM 0 HG3 GLU A 10 80.944 6.481 30.577 1.00 0.00 H new ATOM 156 N GLU A 11 80.788 5.227 33.188 1.00 0.00 N ATOM 157 CA GLU A 11 79.943 5.076 34.407 1.00 0.00 C ATOM 158 C GLU A 11 79.030 3.853 34.253 1.00 0.00 C ATOM 159 O GLU A 11 78.579 3.536 33.171 1.00 0.00 O ATOM 160 CB GLU A 11 79.093 6.340 34.580 1.00 0.00 C ATOM 161 CG GLU A 11 78.301 6.270 35.890 1.00 0.00 C ATOM 162 CD GLU A 11 79.267 6.306 37.076 1.00 0.00 C ATOM 163 OE1 GLU A 11 79.602 7.397 37.509 1.00 0.00 O ATOM 164 OE2 GLU A 11 79.657 5.243 37.530 1.00 0.00 O ATOM 0 H GLU A 11 80.696 6.123 32.710 1.00 0.00 H new ATOM 0 HA GLU A 11 80.577 4.936 35.283 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.735 7.221 34.581 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.409 6.445 33.738 1.00 0.00 H new ATOM 0 HG2 GLU A 11 77.604 7.106 35.950 1.00 0.00 H new ATOM 0 HG3 GLU A 11 77.707 5.357 35.919 1.00 0.00 H new ATOM 171 N HIS A 12 78.771 3.161 35.332 1.00 0.00 N ATOM 172 CA HIS A 12 77.899 1.948 35.271 1.00 0.00 C ATOM 173 C HIS A 12 76.531 2.319 34.687 1.00 0.00 C ATOM 174 O HIS A 12 75.563 2.487 35.402 1.00 0.00 O ATOM 175 CB HIS A 12 77.730 1.403 36.695 1.00 0.00 C ATOM 176 CG HIS A 12 76.838 0.188 36.699 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.329 -1.094 36.482 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.493 0.039 36.936 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.293 -1.951 36.601 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.156 -1.309 36.874 1.00 0.00 N ATOM 0 H HIS A 12 79.129 3.385 36.261 1.00 0.00 H new ATOM 0 HA HIS A 12 78.354 1.191 34.633 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.705 1.146 37.109 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.305 2.175 37.337 1.00 0.00 H new ATOM 0 HD1 HIS A 12 78.296 -1.342 36.271 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.803 0.845 37.139 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.374 -3.022 36.489 1.00 0.00 H new ATOM 188 N GLU A 13 76.450 2.450 33.384 1.00 0.00 N ATOM 189 CA GLU A 13 75.155 2.813 32.725 1.00 0.00 C ATOM 190 C GLU A 13 74.511 1.549 32.133 1.00 0.00 C ATOM 191 O GLU A 13 74.742 0.448 32.591 1.00 0.00 O ATOM 192 CB GLU A 13 75.430 3.838 31.606 1.00 0.00 C ATOM 193 CG GLU A 13 74.206 4.748 31.398 1.00 0.00 C ATOM 194 CD GLU A 13 74.264 5.386 30.007 1.00 0.00 C ATOM 195 OE1 GLU A 13 75.093 6.259 29.811 1.00 0.00 O ATOM 196 OE2 GLU A 13 73.477 4.990 29.162 1.00 0.00 O ATOM 0 H GLU A 13 77.233 2.320 32.743 1.00 0.00 H new ATOM 0 HA GLU A 13 74.475 3.249 33.456 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.300 4.442 31.863 1.00 0.00 H new ATOM 0 HB3 GLU A 13 75.666 3.318 30.678 1.00 0.00 H new ATOM 0 HG2 GLU A 13 73.289 4.169 31.505 1.00 0.00 H new ATOM 0 HG3 GLU A 13 74.184 5.524 32.163 1.00 0.00 H new ATOM 203 N LYS A 14 73.702 1.704 31.117 1.00 0.00 N ATOM 204 CA LYS A 14 73.036 0.526 30.487 1.00 0.00 C ATOM 205 C LYS A 14 74.064 -0.324 29.736 1.00 0.00 C ATOM 206 O LYS A 14 73.925 -1.524 29.617 1.00 0.00 O ATOM 207 CB LYS A 14 71.965 1.010 29.506 1.00 0.00 C ATOM 208 CG LYS A 14 70.801 1.626 30.287 1.00 0.00 C ATOM 209 CD LYS A 14 69.652 1.975 29.331 1.00 0.00 C ATOM 210 CE LYS A 14 70.087 3.054 28.331 1.00 0.00 C ATOM 211 NZ LYS A 14 70.912 4.086 29.022 1.00 0.00 N ATOM 0 H LYS A 14 73.473 2.603 30.694 1.00 0.00 H new ATOM 0 HA LYS A 14 72.576 -0.079 31.268 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.388 1.746 28.822 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.610 0.178 28.899 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.452 0.927 31.047 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.136 2.523 30.808 1.00 0.00 H new ATOM 0 HD2 LYS A 14 69.335 1.081 28.794 1.00 0.00 H new ATOM 0 HD3 LYS A 14 68.792 2.326 29.901 1.00 0.00 H new ATOM 0 HE2 LYS A 14 70.659 2.602 27.521 1.00 0.00 H new ATOM 0 HE3 LYS A 14 69.210 3.519 27.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 70.864 4.980 28.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 70.548 4.234 29.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 71.900 3.765 29.071 1.00 0.00 H new ATOM 225 N TYR A 15 75.086 0.294 29.212 1.00 0.00 N ATOM 226 CA TYR A 15 76.113 -0.471 28.448 1.00 0.00 C ATOM 227 C TYR A 15 76.751 -1.523 29.355 1.00 0.00 C ATOM 228 O TYR A 15 77.016 -2.632 28.937 1.00 0.00 O ATOM 229 CB TYR A 15 77.188 0.493 27.932 1.00 0.00 C ATOM 230 CG TYR A 15 76.655 1.236 26.729 1.00 0.00 C ATOM 231 CD1 TYR A 15 76.726 0.656 25.456 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.080 2.501 26.890 1.00 0.00 C ATOM 233 CE1 TYR A 15 76.223 1.344 24.345 1.00 0.00 C ATOM 234 CE2 TYR A 15 75.576 3.188 25.781 1.00 0.00 C ATOM 235 CZ TYR A 15 75.647 2.610 24.509 1.00 0.00 C ATOM 236 OH TYR A 15 75.150 3.288 23.414 1.00 0.00 O ATOM 0 H TYR A 15 75.255 1.298 29.280 1.00 0.00 H new ATOM 0 HA TYR A 15 75.640 -0.970 27.602 1.00 0.00 H new ATOM 0 HB2 TYR A 15 77.467 1.198 28.715 1.00 0.00 H new ATOM 0 HB3 TYR A 15 78.089 -0.058 27.664 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.168 -0.321 25.331 1.00 0.00 H new ATOM 0 HD2 TYR A 15 76.025 2.948 27.872 1.00 0.00 H new ATOM 0 HE1 TYR A 15 76.279 0.899 23.363 1.00 0.00 H new ATOM 0 HE2 TYR A 15 75.132 4.165 25.907 1.00 0.00 H new ATOM 0 HH TYR A 15 74.784 4.151 23.702 1.00 0.00 H new ATOM 246 N HIS A 16 77.005 -1.193 30.590 1.00 0.00 N ATOM 247 CA HIS A 16 77.628 -2.193 31.498 1.00 0.00 C ATOM 248 C HIS A 16 76.716 -3.420 31.615 1.00 0.00 C ATOM 249 O HIS A 16 77.179 -4.544 31.625 1.00 0.00 O ATOM 250 CB HIS A 16 77.822 -1.567 32.888 1.00 0.00 C ATOM 251 CG HIS A 16 79.089 -0.757 32.921 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.843 -0.611 34.080 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.755 -0.051 31.949 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.907 0.156 33.776 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.899 0.521 32.494 1.00 0.00 N ATOM 0 H HIS A 16 76.810 -0.283 31.007 1.00 0.00 H new ATOM 0 HA HIS A 16 78.594 -2.497 31.095 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.970 -0.932 33.131 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.863 -2.350 33.645 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.439 0.045 30.921 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.672 0.440 34.483 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.588 1.099 32.013 1.00 0.00 H new ATOM 263 N SER A 17 75.429 -3.226 31.694 1.00 0.00 N ATOM 264 CA SER A 17 74.521 -4.403 31.801 1.00 0.00 C ATOM 265 C SER A 17 74.645 -5.250 30.533 1.00 0.00 C ATOM 266 O SER A 17 74.741 -6.460 30.592 1.00 0.00 O ATOM 267 CB SER A 17 73.076 -3.926 31.958 1.00 0.00 C ATOM 268 OG SER A 17 72.678 -3.240 30.778 1.00 0.00 O ATOM 0 H SER A 17 74.970 -2.315 31.689 1.00 0.00 H new ATOM 0 HA SER A 17 74.798 -5.000 32.670 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.418 -4.776 32.138 1.00 0.00 H new ATOM 0 HB3 SER A 17 72.990 -3.267 32.822 1.00 0.00 H new ATOM 0 HG SER A 17 73.259 -2.463 30.640 1.00 0.00 H new ATOM 274 N ASN A 18 74.650 -4.621 29.384 1.00 0.00 N ATOM 275 CA ASN A 18 74.776 -5.383 28.102 1.00 0.00 C ATOM 276 C ASN A 18 76.222 -5.319 27.603 1.00 0.00 C ATOM 277 O ASN A 18 76.613 -4.389 26.927 1.00 0.00 O ATOM 278 CB ASN A 18 73.852 -4.755 27.057 1.00 0.00 C ATOM 279 CG ASN A 18 72.395 -4.981 27.464 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.592 -4.070 27.422 1.00 0.00 O ATOM 281 ND2 ASN A 18 72.017 -6.165 27.861 1.00 0.00 N ATOM 0 H ASN A 18 74.572 -3.610 29.278 1.00 0.00 H new ATOM 0 HA ASN A 18 74.499 -6.424 28.267 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.055 -3.688 26.971 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.040 -5.196 26.078 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.048 -6.325 28.136 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.691 -6.930 27.896 1.00 0.00 H new ATOM 288 N TRP A 19 77.020 -6.300 27.926 1.00 0.00 N ATOM 289 CA TRP A 19 78.436 -6.292 27.460 1.00 0.00 C ATOM 290 C TRP A 19 78.502 -6.633 25.968 1.00 0.00 C ATOM 291 O TRP A 19 79.441 -6.279 25.283 1.00 0.00 O ATOM 292 CB TRP A 19 79.263 -7.301 28.264 1.00 0.00 C ATOM 293 CG TRP A 19 78.789 -8.696 28.001 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.941 -9.387 28.797 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.125 -9.582 26.894 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.737 -10.641 28.251 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.444 -10.809 27.077 1.00 0.00 C ATOM 298 CE3 TRP A 19 79.946 -9.442 25.758 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.574 -11.860 26.169 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.077 -10.497 24.843 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.393 -11.704 25.047 1.00 0.00 C ATOM 0 H TRP A 19 76.753 -7.106 28.492 1.00 0.00 H new ATOM 0 HA TRP A 19 78.849 -5.295 27.614 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.316 -7.212 27.997 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.184 -7.079 29.328 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.496 -9.019 29.710 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.137 -11.355 28.665 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.478 -8.517 25.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.046 -12.788 26.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.709 -10.379 23.975 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.499 -12.512 24.338 1.00 0.00 H new ATOM 312 N ARG A 20 77.527 -7.340 25.461 1.00 0.00 N ATOM 313 CA ARG A 20 77.558 -7.721 24.018 1.00 0.00 C ATOM 314 C ARG A 20 77.528 -6.465 23.145 1.00 0.00 C ATOM 315 O ARG A 20 78.221 -6.373 22.152 1.00 0.00 O ATOM 316 CB ARG A 20 76.331 -8.572 23.696 1.00 0.00 C ATOM 317 CG ARG A 20 76.456 -9.936 24.373 1.00 0.00 C ATOM 318 CD ARG A 20 75.222 -10.777 24.041 1.00 0.00 C ATOM 319 NE ARG A 20 75.214 -12.007 24.880 1.00 0.00 N ATOM 320 CZ ARG A 20 74.125 -12.718 24.976 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.052 -12.356 24.327 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.109 -13.791 25.719 1.00 0.00 N ATOM 0 H ARG A 20 76.714 -7.669 25.981 1.00 0.00 H new ATOM 0 HA ARG A 20 78.471 -8.282 23.818 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.427 -8.068 24.038 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.237 -8.698 22.617 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.359 -10.443 24.032 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.547 -9.813 25.452 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.316 -10.198 24.219 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.226 -11.045 22.985 1.00 0.00 H new ATOM 0 HE ARG A 20 76.057 -12.292 25.378 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.066 -11.518 23.746 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.200 -12.911 24.401 1.00 0.00 H new ATOM 0 HH21 ARG A 20 74.948 -14.074 26.225 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.257 -14.347 25.794 1.00 0.00 H new ATOM 336 N ALA A 21 76.734 -5.498 23.506 1.00 0.00 N ATOM 337 CA ALA A 21 76.670 -4.254 22.692 1.00 0.00 C ATOM 338 C ALA A 21 78.048 -3.596 22.674 1.00 0.00 C ATOM 339 O ALA A 21 78.521 -3.141 21.651 1.00 0.00 O ATOM 340 CB ALA A 21 75.653 -3.290 23.308 1.00 0.00 C ATOM 0 H ALA A 21 76.128 -5.514 24.327 1.00 0.00 H new ATOM 0 HA ALA A 21 76.365 -4.498 21.674 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.607 -2.379 22.711 1.00 0.00 H new ATOM 0 HB2 ALA A 21 74.670 -3.761 23.327 1.00 0.00 H new ATOM 0 HB3 ALA A 21 75.956 -3.042 24.325 1.00 0.00 H new ATOM 346 N MET A 22 78.692 -3.540 23.805 1.00 0.00 N ATOM 347 CA MET A 22 80.039 -2.912 23.872 1.00 0.00 C ATOM 348 C MET A 22 81.038 -3.734 23.054 1.00 0.00 C ATOM 349 O MET A 22 81.875 -3.194 22.359 1.00 0.00 O ATOM 350 CB MET A 22 80.481 -2.855 25.334 1.00 0.00 C ATOM 351 CG MET A 22 81.843 -2.170 25.441 1.00 0.00 C ATOM 352 SD MET A 22 82.213 -1.839 27.184 1.00 0.00 S ATOM 353 CE MET A 22 82.137 -3.549 27.775 1.00 0.00 C ATOM 0 H MET A 22 78.341 -3.904 24.691 1.00 0.00 H new ATOM 0 HA MET A 22 79.999 -1.904 23.460 1.00 0.00 H new ATOM 0 HB2 MET A 22 79.744 -2.311 25.925 1.00 0.00 H new ATOM 0 HB3 MET A 22 80.538 -3.863 25.745 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.617 -2.804 25.007 1.00 0.00 H new ATOM 0 HG3 MET A 22 81.840 -1.239 24.875 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.714 -3.642 28.695 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.099 -3.821 27.968 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.552 -4.214 27.018 1.00 0.00 H new ATOM 363 N ALA A 23 80.953 -5.033 23.117 1.00 0.00 N ATOM 364 CA ALA A 23 81.898 -5.872 22.327 1.00 0.00 C ATOM 365 C ALA A 23 81.640 -5.641 20.838 1.00 0.00 C ATOM 366 O ALA A 23 82.554 -5.549 20.043 1.00 0.00 O ATOM 367 CB ALA A 23 81.675 -7.351 22.663 1.00 0.00 C ATOM 0 H ALA A 23 80.274 -5.548 23.678 1.00 0.00 H new ATOM 0 HA ALA A 23 82.925 -5.600 22.570 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.367 -7.964 22.085 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.849 -7.513 23.727 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.650 -7.630 22.417 1.00 0.00 H new ATOM 373 N SER A 24 80.396 -5.547 20.458 1.00 0.00 N ATOM 374 CA SER A 24 80.065 -5.322 19.024 1.00 0.00 C ATOM 375 C SER A 24 80.467 -3.904 18.608 1.00 0.00 C ATOM 376 O SER A 24 80.962 -3.683 17.521 1.00 0.00 O ATOM 377 CB SER A 24 78.561 -5.501 18.821 1.00 0.00 C ATOM 378 OG SER A 24 78.247 -5.316 17.447 1.00 0.00 O ATOM 0 H SER A 24 79.592 -5.617 21.082 1.00 0.00 H new ATOM 0 HA SER A 24 80.611 -6.041 18.413 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.255 -6.496 19.145 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.012 -4.784 19.431 1.00 0.00 H new ATOM 0 HG SER A 24 77.283 -5.432 17.313 1.00 0.00 H new ATOM 384 N ASP A 25 80.247 -2.941 19.460 1.00 0.00 N ATOM 385 CA ASP A 25 80.604 -1.536 19.106 1.00 0.00 C ATOM 386 C ASP A 25 82.107 -1.426 18.851 1.00 0.00 C ATOM 387 O ASP A 25 82.540 -0.745 17.943 1.00 0.00 O ATOM 388 CB ASP A 25 80.199 -0.601 20.252 1.00 0.00 C ATOM 389 CG ASP A 25 78.685 -0.374 20.219 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.157 -0.202 19.133 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.081 -0.377 21.279 1.00 0.00 O ATOM 0 H ASP A 25 79.836 -3.065 20.385 1.00 0.00 H new ATOM 0 HA ASP A 25 80.072 -1.248 18.199 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.491 -1.034 21.209 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.722 0.351 20.160 1.00 0.00 H new ATOM 396 N PHE A 26 82.908 -2.094 19.638 1.00 0.00 N ATOM 397 CA PHE A 26 84.390 -2.035 19.439 1.00 0.00 C ATOM 398 C PHE A 26 84.845 -3.271 18.664 1.00 0.00 C ATOM 399 O PHE A 26 86.016 -3.449 18.396 1.00 0.00 O ATOM 400 CB PHE A 26 85.088 -1.996 20.799 1.00 0.00 C ATOM 401 CG PHE A 26 84.822 -0.661 21.457 1.00 0.00 C ATOM 402 CD1 PHE A 26 83.541 -0.361 21.935 1.00 0.00 C ATOM 403 CD2 PHE A 26 85.854 0.278 21.584 1.00 0.00 C ATOM 404 CE1 PHE A 26 83.292 0.877 22.542 1.00 0.00 C ATOM 405 CE2 PHE A 26 85.604 1.516 22.191 1.00 0.00 C ATOM 406 CZ PHE A 26 84.323 1.814 22.670 1.00 0.00 C ATOM 0 H PHE A 26 82.601 -2.681 20.414 1.00 0.00 H new ATOM 0 HA PHE A 26 84.648 -1.137 18.877 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.724 -2.806 21.431 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.160 -2.146 20.675 1.00 0.00 H new ATOM 0 HD1 PHE A 26 82.745 -1.084 21.836 1.00 0.00 H new ATOM 0 HD2 PHE A 26 86.842 0.048 21.214 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.304 1.108 22.911 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.399 2.240 22.289 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.130 2.768 23.139 1.00 0.00 H new ATOM 416 N ASN A 27 83.924 -4.122 18.303 1.00 0.00 N ATOM 417 CA ASN A 27 84.289 -5.348 17.539 1.00 0.00 C ATOM 418 C ASN A 27 85.359 -6.132 18.304 1.00 0.00 C ATOM 419 O ASN A 27 86.296 -6.643 17.725 1.00 0.00 O ATOM 420 CB ASN A 27 84.824 -4.958 16.157 1.00 0.00 C ATOM 421 CG ASN A 27 83.741 -4.196 15.391 1.00 0.00 C ATOM 422 OD1 ASN A 27 82.564 -4.425 15.591 1.00 0.00 O ATOM 423 ND2 ASN A 27 84.091 -3.292 14.517 1.00 0.00 N ATOM 0 H ASN A 27 82.930 -4.020 18.506 1.00 0.00 H new ATOM 0 HA ASN A 27 83.403 -5.972 17.417 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.715 -4.339 16.261 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.118 -5.850 15.603 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.377 -2.777 14.002 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.079 -3.100 14.349 1.00 0.00 H new ATOM 430 N LEU A 28 85.219 -6.233 19.606 1.00 0.00 N ATOM 431 CA LEU A 28 86.219 -6.987 20.431 1.00 0.00 C ATOM 432 C LEU A 28 85.550 -8.259 20.967 1.00 0.00 C ATOM 433 O LEU A 28 84.352 -8.284 21.167 1.00 0.00 O ATOM 434 CB LEU A 28 86.645 -6.116 21.620 1.00 0.00 C ATOM 435 CG LEU A 28 87.466 -4.911 21.135 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.557 -3.881 22.266 1.00 0.00 C ATOM 437 CD2 LEU A 28 88.885 -5.351 20.731 1.00 0.00 C ATOM 0 H LEU A 28 84.450 -5.823 20.136 1.00 0.00 H new ATOM 0 HA LEU A 28 87.089 -7.241 19.826 1.00 0.00 H new ATOM 0 HB2 LEU A 28 85.763 -5.770 22.160 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.235 -6.708 22.320 1.00 0.00 H new ATOM 0 HG LEU A 28 86.975 -4.474 20.266 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.138 -3.022 21.930 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.554 -3.555 22.543 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.043 -4.332 23.131 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.451 -4.484 20.390 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.386 -5.797 21.590 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.823 -6.084 19.926 1.00 0.00 H new ATOM 449 N PRO A 29 86.303 -9.306 21.207 1.00 0.00 N ATOM 450 CA PRO A 29 85.734 -10.579 21.736 1.00 0.00 C ATOM 451 C PRO A 29 85.269 -10.414 23.189 1.00 0.00 C ATOM 452 O PRO A 29 85.679 -9.500 23.875 1.00 0.00 O ATOM 453 CB PRO A 29 86.900 -11.577 21.636 1.00 0.00 C ATOM 454 CG PRO A 29 88.133 -10.732 21.675 1.00 0.00 C ATOM 455 CD PRO A 29 87.762 -9.407 21.002 1.00 0.00 C ATOM 0 HA PRO A 29 84.855 -10.907 21.182 1.00 0.00 H new ATOM 0 HB2 PRO A 29 86.883 -12.289 22.461 1.00 0.00 H new ATOM 0 HB3 PRO A 29 86.847 -12.156 20.714 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.461 -10.569 22.702 1.00 0.00 H new ATOM 0 HG3 PRO A 29 88.955 -11.218 21.151 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.289 -8.567 21.454 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.018 -9.411 19.943 1.00 0.00 H new ATOM 463 N PRO A 30 84.410 -11.283 23.650 1.00 0.00 N ATOM 464 CA PRO A 30 83.879 -11.217 25.041 1.00 0.00 C ATOM 465 C PRO A 30 85.014 -11.187 26.073 1.00 0.00 C ATOM 466 O PRO A 30 84.821 -10.819 27.213 1.00 0.00 O ATOM 467 CB PRO A 30 83.023 -12.500 25.182 1.00 0.00 C ATOM 468 CG PRO A 30 83.401 -13.371 24.019 1.00 0.00 C ATOM 469 CD PRO A 30 83.861 -12.426 22.911 1.00 0.00 C ATOM 0 HA PRO A 30 83.302 -10.310 25.221 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.223 -13.002 26.128 1.00 0.00 H new ATOM 0 HB3 PRO A 30 81.959 -12.264 25.165 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.196 -14.064 24.294 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.553 -13.972 23.691 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.612 -12.890 22.272 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.034 -12.129 22.266 1.00 0.00 H new ATOM 477 N VAL A 31 86.192 -11.582 25.683 1.00 0.00 N ATOM 478 CA VAL A 31 87.326 -11.589 26.649 1.00 0.00 C ATOM 479 C VAL A 31 87.586 -10.180 27.189 1.00 0.00 C ATOM 480 O VAL A 31 87.654 -9.973 28.384 1.00 0.00 O ATOM 481 CB VAL A 31 88.580 -12.114 25.932 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.825 -11.882 26.796 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.422 -13.615 25.662 1.00 0.00 C ATOM 0 H VAL A 31 86.419 -11.899 24.741 1.00 0.00 H new ATOM 0 HA VAL A 31 87.078 -12.234 27.492 1.00 0.00 H new ATOM 0 HB VAL A 31 88.698 -11.578 24.990 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.705 -12.259 26.275 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.944 -10.815 26.984 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.713 -12.407 27.745 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.311 -13.989 25.153 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.295 -14.143 26.607 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.547 -13.782 25.033 1.00 0.00 H new ATOM 493 N VAL A 32 87.730 -9.212 26.334 1.00 0.00 N ATOM 494 CA VAL A 32 87.983 -7.833 26.837 1.00 0.00 C ATOM 495 C VAL A 32 86.721 -7.312 27.520 1.00 0.00 C ATOM 496 O VAL A 32 86.769 -6.730 28.585 1.00 0.00 O ATOM 497 CB VAL A 32 88.361 -6.918 25.671 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.430 -5.468 26.159 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.726 -7.335 25.121 1.00 0.00 C ATOM 0 H VAL A 32 87.685 -9.310 25.320 1.00 0.00 H new ATOM 0 HA VAL A 32 88.805 -7.848 27.553 1.00 0.00 H new ATOM 0 HB VAL A 32 87.610 -7.001 24.886 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.699 -4.817 25.328 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.458 -5.170 26.553 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.181 -5.384 26.944 1.00 0.00 H new ATOM 0 HG21 VAL A 32 89.998 -6.684 24.290 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.476 -7.251 25.907 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.678 -8.367 24.773 1.00 0.00 H new ATOM 509 N ALA A 33 85.589 -7.524 26.911 1.00 0.00 N ATOM 510 CA ALA A 33 84.316 -7.048 27.515 1.00 0.00 C ATOM 511 C ALA A 33 84.097 -7.739 28.863 1.00 0.00 C ATOM 512 O ALA A 33 83.714 -7.116 29.834 1.00 0.00 O ATOM 513 CB ALA A 33 83.156 -7.368 26.569 1.00 0.00 C ATOM 0 H ALA A 33 85.491 -8.008 26.018 1.00 0.00 H new ATOM 0 HA ALA A 33 84.365 -5.971 27.673 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.221 -7.020 27.009 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.316 -6.867 25.614 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.103 -8.445 26.409 1.00 0.00 H new ATOM 519 N LYS A 34 84.343 -9.022 28.939 1.00 0.00 N ATOM 520 CA LYS A 34 84.150 -9.739 30.232 1.00 0.00 C ATOM 521 C LYS A 34 85.097 -9.166 31.291 1.00 0.00 C ATOM 522 O LYS A 34 84.734 -9.010 32.440 1.00 0.00 O ATOM 523 CB LYS A 34 84.424 -11.236 30.036 1.00 0.00 C ATOM 524 CG LYS A 34 83.283 -11.890 29.229 1.00 0.00 C ATOM 525 CD LYS A 34 82.123 -12.275 30.159 1.00 0.00 C ATOM 526 CE LYS A 34 81.059 -13.033 29.358 1.00 0.00 C ATOM 527 NZ LYS A 34 80.056 -13.616 30.294 1.00 0.00 N ATOM 0 H LYS A 34 84.668 -9.601 28.164 1.00 0.00 H new ATOM 0 HA LYS A 34 83.122 -9.605 30.569 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.372 -11.374 29.515 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.519 -11.725 31.006 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.930 -11.201 28.462 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.654 -12.776 28.714 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.489 -12.895 30.977 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.689 -11.381 30.606 1.00 0.00 H new ATOM 0 HE2 LYS A 34 80.568 -12.359 28.655 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.525 -13.823 28.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.333 -14.131 29.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 80.531 -14.271 30.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 79.603 -12.853 30.837 1.00 0.00 H new ATOM 541 N GLU A 35 86.312 -8.860 30.921 1.00 0.00 N ATOM 542 CA GLU A 35 87.275 -8.310 31.918 1.00 0.00 C ATOM 543 C GLU A 35 86.737 -7.005 32.505 1.00 0.00 C ATOM 544 O GLU A 35 86.838 -6.764 33.691 1.00 0.00 O ATOM 545 CB GLU A 35 88.626 -8.052 31.240 1.00 0.00 C ATOM 546 CG GLU A 35 89.580 -7.335 32.211 1.00 0.00 C ATOM 547 CD GLU A 35 89.298 -5.828 32.213 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.382 -5.229 31.153 1.00 0.00 O ATOM 549 OE2 GLU A 35 88.996 -5.303 33.271 1.00 0.00 O ATOM 0 H GLU A 35 86.678 -8.967 29.975 1.00 0.00 H new ATOM 0 HA GLU A 35 87.404 -9.033 32.723 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.065 -8.996 30.918 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.482 -7.446 30.346 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.457 -7.737 33.217 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.614 -7.519 31.919 1.00 0.00 H new ATOM 556 N ILE A 36 86.168 -6.158 31.695 1.00 0.00 N ATOM 557 CA ILE A 36 85.633 -4.879 32.233 1.00 0.00 C ATOM 558 C ILE A 36 84.509 -5.204 33.216 1.00 0.00 C ATOM 559 O ILE A 36 84.392 -4.607 34.268 1.00 0.00 O ATOM 560 CB ILE A 36 85.119 -4.017 31.081 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.292 -3.700 30.149 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.539 -2.711 31.633 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.781 -3.034 28.872 1.00 0.00 C ATOM 0 H ILE A 36 86.051 -6.295 30.691 1.00 0.00 H new ATOM 0 HA ILE A 36 86.414 -4.322 32.751 1.00 0.00 H new ATOM 0 HB ILE A 36 84.340 -4.550 30.537 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.000 -3.043 30.653 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.828 -4.616 29.901 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.173 -2.098 30.809 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.716 -2.936 32.311 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.315 -2.168 32.172 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.622 -2.812 28.215 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.090 -3.706 28.362 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.265 -2.108 29.126 1.00 0.00 H new ATOM 575 N VAL A 37 83.697 -6.172 32.888 1.00 0.00 N ATOM 576 CA VAL A 37 82.594 -6.571 33.806 1.00 0.00 C ATOM 577 C VAL A 37 83.199 -7.069 35.119 1.00 0.00 C ATOM 578 O VAL A 37 82.702 -6.791 36.193 1.00 0.00 O ATOM 579 CB VAL A 37 81.779 -7.693 33.151 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.800 -8.290 34.169 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.999 -7.119 31.966 1.00 0.00 C ATOM 0 H VAL A 37 83.751 -6.705 32.020 1.00 0.00 H new ATOM 0 HA VAL A 37 81.942 -5.720 34.005 1.00 0.00 H new ATOM 0 HB VAL A 37 82.453 -8.477 32.805 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.225 -9.086 33.697 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.356 -8.696 35.014 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.122 -7.512 34.521 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.417 -7.911 31.495 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.328 -6.336 32.318 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.696 -6.701 31.240 1.00 0.00 H new ATOM 591 N ALA A 38 84.274 -7.802 35.037 1.00 0.00 N ATOM 592 CA ALA A 38 84.925 -8.324 36.272 1.00 0.00 C ATOM 593 C ALA A 38 85.552 -7.164 37.047 1.00 0.00 C ATOM 594 O ALA A 38 85.619 -7.181 38.259 1.00 0.00 O ATOM 595 CB ALA A 38 86.011 -9.330 35.889 1.00 0.00 C ATOM 0 H ALA A 38 84.732 -8.063 34.164 1.00 0.00 H new ATOM 0 HA ALA A 38 84.179 -8.816 36.897 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.488 -9.712 36.792 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.563 -10.157 35.337 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.758 -8.839 35.265 1.00 0.00 H new ATOM 601 N SER A 39 86.012 -6.156 36.358 1.00 0.00 N ATOM 602 CA SER A 39 86.634 -5.000 37.061 1.00 0.00 C ATOM 603 C SER A 39 85.543 -4.199 37.777 1.00 0.00 C ATOM 604 O SER A 39 85.723 -3.747 38.890 1.00 0.00 O ATOM 605 CB SER A 39 87.359 -4.110 36.051 1.00 0.00 C ATOM 606 OG SER A 39 88.494 -4.805 35.548 1.00 0.00 O ATOM 0 H SER A 39 85.984 -6.083 35.341 1.00 0.00 H new ATOM 0 HA SER A 39 87.356 -5.362 37.793 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.688 -3.845 35.234 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.668 -3.178 36.525 1.00 0.00 H new ATOM 0 HG SER A 39 88.328 -5.075 34.621 1.00 0.00 H new ATOM 612 N CYS A 40 84.408 -4.028 37.156 1.00 0.00 N ATOM 613 CA CYS A 40 83.308 -3.266 37.817 1.00 0.00 C ATOM 614 C CYS A 40 82.666 -4.151 38.890 1.00 0.00 C ATOM 615 O CYS A 40 82.011 -5.131 38.593 1.00 0.00 O ATOM 616 CB CYS A 40 82.256 -2.869 36.778 1.00 0.00 C ATOM 617 SG CYS A 40 81.135 -1.639 37.493 1.00 0.00 S ATOM 0 H CYS A 40 84.194 -4.381 36.223 1.00 0.00 H new ATOM 0 HA CYS A 40 83.710 -2.363 38.276 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.741 -2.462 35.891 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.694 -3.747 36.460 1.00 0.00 H new ATOM 0 HG CYS A 40 80.480 -1.043 36.541 1.00 0.00 H new ATOM 622 N ASP A 41 82.863 -3.817 40.136 1.00 0.00 N ATOM 623 CA ASP A 41 82.282 -4.632 41.243 1.00 0.00 C ATOM 624 C ASP A 41 80.756 -4.665 41.144 1.00 0.00 C ATOM 625 O ASP A 41 80.132 -5.680 41.386 1.00 0.00 O ATOM 626 CB ASP A 41 82.694 -4.037 42.589 1.00 0.00 C ATOM 627 CG ASP A 41 84.190 -4.265 42.807 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.707 -5.230 42.268 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.795 -3.471 43.508 1.00 0.00 O ATOM 0 H ASP A 41 83.406 -3.008 40.438 1.00 0.00 H new ATOM 0 HA ASP A 41 82.660 -5.651 41.160 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.470 -2.970 42.612 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.123 -4.500 43.394 1.00 0.00 H new ATOM 634 N LYS A 42 80.145 -3.564 40.809 1.00 0.00 N ATOM 635 CA LYS A 42 78.658 -3.539 40.720 1.00 0.00 C ATOM 636 C LYS A 42 78.176 -4.551 39.678 1.00 0.00 C ATOM 637 O LYS A 42 77.188 -5.229 39.878 1.00 0.00 O ATOM 638 CB LYS A 42 78.190 -2.134 40.323 1.00 0.00 C ATOM 639 CG LYS A 42 78.426 -1.161 41.481 1.00 0.00 C ATOM 640 CD LYS A 42 77.954 0.238 41.075 1.00 0.00 C ATOM 641 CE LYS A 42 78.175 1.210 42.235 1.00 0.00 C ATOM 642 NZ LYS A 42 77.184 0.926 43.313 1.00 0.00 N ATOM 0 H LYS A 42 80.609 -2.682 40.593 1.00 0.00 H new ATOM 0 HA LYS A 42 78.241 -3.802 41.692 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.730 -1.798 39.438 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.132 -2.154 40.063 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.887 -1.496 42.367 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.484 -1.138 41.741 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.501 0.576 40.195 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.898 0.213 40.804 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.189 1.108 42.622 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.068 2.238 41.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 77.181 1.709 43.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.236 0.827 42.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.443 0.043 43.798 1.00 0.00 H new ATOM 656 N CYS A 43 78.857 -4.667 38.572 1.00 0.00 N ATOM 657 CA CYS A 43 78.418 -5.646 37.540 1.00 0.00 C ATOM 658 C CYS A 43 78.795 -7.065 37.979 1.00 0.00 C ATOM 659 O CYS A 43 78.117 -8.025 37.670 1.00 0.00 O ATOM 660 CB CYS A 43 79.118 -5.358 36.213 1.00 0.00 C ATOM 661 SG CYS A 43 78.834 -3.646 35.720 1.00 0.00 S ATOM 0 H CYS A 43 79.693 -4.130 38.339 1.00 0.00 H new ATOM 0 HA CYS A 43 77.338 -5.560 37.420 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.188 -5.544 36.309 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.745 -6.033 35.443 1.00 0.00 H new ATOM 0 HG CYS A 43 79.648 -2.867 36.368 1.00 0.00 H new ATOM 666 N GLN A 44 79.897 -7.206 38.669 1.00 0.00 N ATOM 667 CA GLN A 44 80.349 -8.565 39.095 1.00 0.00 C ATOM 668 C GLN A 44 79.566 -9.040 40.322 1.00 0.00 C ATOM 669 O GLN A 44 78.765 -9.950 40.241 1.00 0.00 O ATOM 670 CB GLN A 44 81.840 -8.499 39.444 1.00 0.00 C ATOM 671 CG GLN A 44 82.358 -9.893 39.813 1.00 0.00 C ATOM 672 CD GLN A 44 83.841 -9.804 40.179 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.517 -8.731 39.869 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.391 -10.720 40.757 1.00 0.00 N ATOM 0 H GLN A 44 80.504 -6.438 38.956 1.00 0.00 H new ATOM 0 HA GLN A 44 80.175 -9.268 38.281 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.402 -8.106 38.597 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.996 -7.813 40.276 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.789 -10.294 40.651 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.219 -10.578 38.976 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.864 -11.559 41.000 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.379 -10.650 40.999 1.00 0.00 H new ATOM 844 N PHE B 1 93.958 -14.199 22.013 1.00 0.00 N ATOM 845 CA PHE B 1 92.782 -13.987 22.905 1.00 0.00 C ATOM 846 C PHE B 1 92.256 -15.341 23.390 1.00 0.00 C ATOM 847 O PHE B 1 92.772 -15.927 24.321 1.00 0.00 O ATOM 848 CB PHE B 1 91.670 -13.268 22.132 1.00 0.00 C ATOM 849 CG PHE B 1 92.033 -11.813 21.921 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.937 -11.456 20.913 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.455 -10.823 22.727 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.261 -10.109 20.710 1.00 0.00 C ATOM 853 CE2 PHE B 1 91.781 -9.477 22.525 1.00 0.00 C ATOM 854 CZ PHE B 1 92.684 -9.119 21.516 1.00 0.00 C ATOM 0 H1 PHE B 1 94.105 -13.353 21.426 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.805 -14.371 22.591 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.785 -15.020 21.399 1.00 0.00 H new ATOM 0 HA PHE B 1 93.086 -13.381 23.759 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.514 -13.754 21.169 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.731 -13.340 22.681 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.384 -12.219 20.293 1.00 0.00 H new ATOM 0 HD2 PHE B 1 90.758 -11.099 23.504 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.956 -9.833 19.931 1.00 0.00 H new ATOM 0 HE2 PHE B 1 91.336 -8.714 23.147 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.935 -8.080 21.359 1.00 0.00 H new ATOM 866 N LEU B 2 91.223 -15.830 22.763 1.00 0.00 N ATOM 867 CA LEU B 2 90.634 -17.137 23.169 1.00 0.00 C ATOM 868 C LEU B 2 91.655 -18.265 22.986 1.00 0.00 C ATOM 869 O LEU B 2 91.744 -19.168 23.793 1.00 0.00 O ATOM 870 CB LEU B 2 89.407 -17.417 22.296 1.00 0.00 C ATOM 871 CG LEU B 2 88.358 -16.314 22.500 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.317 -16.394 21.380 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.655 -16.483 23.858 1.00 0.00 C ATOM 0 H LEU B 2 90.757 -15.375 21.978 1.00 0.00 H new ATOM 0 HA LEU B 2 90.349 -17.091 24.220 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.699 -17.464 21.247 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.982 -18.387 22.552 1.00 0.00 H new ATOM 0 HG LEU B 2 88.857 -15.345 22.480 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.570 -15.613 21.521 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.808 -16.257 20.416 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.831 -17.369 21.404 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.915 -15.693 23.986 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.159 -17.453 23.893 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.392 -16.423 24.659 1.00 0.00 H new ATOM 885 N ASP B 3 92.410 -18.232 21.925 1.00 0.00 N ATOM 886 CA ASP B 3 93.407 -19.316 21.687 1.00 0.00 C ATOM 887 C ASP B 3 94.447 -19.344 22.810 1.00 0.00 C ATOM 888 O ASP B 3 94.849 -20.396 23.268 1.00 0.00 O ATOM 889 CB ASP B 3 94.118 -19.057 20.362 1.00 0.00 C ATOM 890 CG ASP B 3 93.147 -19.286 19.201 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.334 -18.412 18.955 1.00 0.00 O ATOM 892 OD2 ASP B 3 93.233 -20.333 18.583 1.00 0.00 O ATOM 0 H ASP B 3 92.382 -17.503 21.212 1.00 0.00 H new ATOM 0 HA ASP B 3 92.887 -20.273 21.660 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.497 -18.035 20.335 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.979 -19.719 20.265 1.00 0.00 H new ATOM 897 N GLY B 4 94.886 -18.202 23.258 1.00 0.00 N ATOM 898 CA GLY B 4 95.902 -18.169 24.352 1.00 0.00 C ATOM 899 C GLY B 4 95.241 -18.574 25.669 1.00 0.00 C ATOM 900 O GLY B 4 95.851 -19.180 26.527 1.00 0.00 O ATOM 0 H GLY B 4 94.587 -17.289 22.916 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.724 -18.847 24.121 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.328 -17.169 24.438 1.00 0.00 H new ATOM 904 N ILE B 5 93.994 -18.239 25.824 1.00 0.00 N ATOM 905 CA ILE B 5 93.261 -18.590 27.071 1.00 0.00 C ATOM 906 C ILE B 5 93.105 -20.111 27.183 1.00 0.00 C ATOM 907 O ILE B 5 93.199 -20.673 28.256 1.00 0.00 O ATOM 908 CB ILE B 5 91.883 -17.910 27.048 1.00 0.00 C ATOM 909 CG1 ILE B 5 92.054 -16.408 27.310 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.977 -18.517 28.122 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.783 -15.656 26.905 1.00 0.00 C ATOM 0 H ILE B 5 93.443 -17.731 25.132 1.00 0.00 H new ATOM 0 HA ILE B 5 93.823 -18.241 27.937 1.00 0.00 H new ATOM 0 HB ILE B 5 91.425 -18.064 26.071 1.00 0.00 H new ATOM 0 HG12 ILE B 5 92.267 -16.237 28.365 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.906 -16.027 26.747 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.004 -18.027 28.096 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.852 -19.583 27.933 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.429 -18.373 29.103 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.914 -14.591 27.095 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.589 -15.814 25.844 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.940 -16.027 27.487 1.00 0.00 H new ATOM 923 N ASP B 6 92.836 -20.775 26.097 1.00 0.00 N ATOM 924 CA ASP B 6 92.639 -22.251 26.165 1.00 0.00 C ATOM 925 C ASP B 6 93.905 -22.926 26.702 1.00 0.00 C ATOM 926 O ASP B 6 93.834 -23.833 27.506 1.00 0.00 O ATOM 927 CB ASP B 6 92.334 -22.783 24.764 1.00 0.00 C ATOM 928 CG ASP B 6 92.130 -24.298 24.826 1.00 0.00 C ATOM 929 OD1 ASP B 6 91.040 -24.715 25.181 1.00 0.00 O ATOM 930 OD2 ASP B 6 93.066 -25.016 24.516 1.00 0.00 O ATOM 0 H ASP B 6 92.744 -20.364 25.168 1.00 0.00 H new ATOM 0 HA ASP B 6 91.808 -22.472 26.834 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.440 -22.301 24.367 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.153 -22.543 24.086 1.00 0.00 H new ATOM 935 N LYS B 7 95.061 -22.489 26.287 1.00 0.00 N ATOM 936 CA LYS B 7 96.311 -23.117 26.809 1.00 0.00 C ATOM 937 C LYS B 7 96.447 -22.774 28.291 1.00 0.00 C ATOM 938 O LYS B 7 96.840 -23.590 29.102 1.00 0.00 O ATOM 939 CB LYS B 7 97.528 -22.568 26.062 1.00 0.00 C ATOM 940 CG LYS B 7 97.532 -23.082 24.622 1.00 0.00 C ATOM 941 CD LYS B 7 98.755 -22.524 23.892 1.00 0.00 C ATOM 942 CE LYS B 7 98.770 -23.032 22.450 1.00 0.00 C ATOM 943 NZ LYS B 7 98.779 -24.522 22.445 1.00 0.00 N ATOM 0 H LYS B 7 95.196 -21.733 25.616 1.00 0.00 H new ATOM 0 HA LYS B 7 96.260 -24.196 26.667 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.508 -21.478 26.068 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.444 -22.873 26.568 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.554 -24.172 24.612 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.618 -22.777 24.112 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.732 -21.434 23.904 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.667 -22.829 24.405 1.00 0.00 H new ATOM 0 HE2 LYS B 7 97.896 -22.662 21.914 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.648 -22.651 21.929 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.140 -24.864 21.532 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.392 -24.868 23.211 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 97.812 -24.875 22.589 1.00 0.00 H new ATOM 957 N ALA B 8 96.121 -21.560 28.643 1.00 0.00 N ATOM 958 CA ALA B 8 96.221 -21.126 30.063 1.00 0.00 C ATOM 959 C ALA B 8 95.153 -21.835 30.899 1.00 0.00 C ATOM 960 O ALA B 8 95.266 -21.948 32.102 1.00 0.00 O ATOM 961 CB ALA B 8 96.013 -19.614 30.146 1.00 0.00 C ATOM 0 H ALA B 8 95.786 -20.844 27.999 1.00 0.00 H new ATOM 0 HA ALA B 8 97.207 -21.382 30.450 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.086 -19.293 31.185 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.778 -19.109 29.556 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.027 -19.360 29.756 1.00 0.00 H new ATOM 967 N GLN B 9 94.110 -22.306 30.271 1.00 0.00 N ATOM 968 CA GLN B 9 93.031 -22.997 31.033 1.00 0.00 C ATOM 969 C GLN B 9 93.611 -24.231 31.726 1.00 0.00 C ATOM 970 O GLN B 9 94.406 -24.957 31.162 1.00 0.00 O ATOM 971 CB GLN B 9 91.920 -23.421 30.063 1.00 0.00 C ATOM 972 CG GLN B 9 90.628 -23.709 30.835 1.00 0.00 C ATOM 973 CD GLN B 9 90.798 -24.987 31.659 1.00 0.00 C ATOM 974 OE1 GLN B 9 90.977 -26.057 31.111 1.00 0.00 O ATOM 975 NE2 GLN B 9 90.749 -24.921 32.960 1.00 0.00 N ATOM 0 H GLN B 9 93.959 -22.242 29.264 1.00 0.00 H new ATOM 0 HA GLN B 9 92.619 -22.323 31.784 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.747 -22.633 29.330 1.00 0.00 H new ATOM 0 HB3 GLN B 9 92.228 -24.309 29.511 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.389 -22.871 31.490 1.00 0.00 H new ATOM 0 HG3 GLN B 9 89.795 -23.819 30.141 1.00 0.00 H new ATOM 0 HE21 GLN B 9 90.599 -24.023 33.420 1.00 0.00 H new ATOM 0 HE22 GLN B 9 90.861 -25.767 33.518 1.00 0.00 H new ATOM 984 N GLU B 10 93.228 -24.468 32.952 1.00 0.00 N ATOM 985 CA GLU B 10 93.766 -25.646 33.686 1.00 0.00 C ATOM 986 C GLU B 10 92.983 -25.841 34.989 1.00 0.00 C ATOM 987 O GLU B 10 92.257 -24.971 35.428 1.00 0.00 O ATOM 988 CB GLU B 10 95.251 -25.411 33.991 1.00 0.00 C ATOM 989 CG GLU B 10 95.848 -26.646 34.670 1.00 0.00 C ATOM 990 CD GLU B 10 97.372 -26.526 34.699 1.00 0.00 C ATOM 991 OE1 GLU B 10 97.860 -25.523 35.195 1.00 0.00 O ATOM 992 OE2 GLU B 10 98.027 -27.438 34.222 1.00 0.00 O ATOM 0 H GLU B 10 92.566 -23.896 33.476 1.00 0.00 H new ATOM 0 HA GLU B 10 93.661 -26.543 33.076 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.791 -25.197 33.069 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.365 -24.540 34.637 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.461 -26.739 35.685 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.554 -27.547 34.132 1.00 0.00 H new ATOM 999 N GLU B 11 93.122 -26.983 35.604 1.00 0.00 N ATOM 1000 CA GLU B 11 92.389 -27.256 36.874 1.00 0.00 C ATOM 1001 C GLU B 11 92.744 -26.187 37.914 1.00 0.00 C ATOM 1002 O GLU B 11 93.855 -25.698 37.962 1.00 0.00 O ATOM 1003 CB GLU B 11 92.796 -28.640 37.395 1.00 0.00 C ATOM 1004 CG GLU B 11 91.969 -29.004 38.632 1.00 0.00 C ATOM 1005 CD GLU B 11 90.500 -29.168 38.238 1.00 0.00 C ATOM 1006 OE1 GLU B 11 90.128 -30.268 37.862 1.00 0.00 O ATOM 1007 OE2 GLU B 11 89.773 -28.192 38.318 1.00 0.00 O ATOM 0 H GLU B 11 93.717 -27.745 35.279 1.00 0.00 H new ATOM 0 HA GLU B 11 91.314 -27.232 36.693 1.00 0.00 H new ATOM 0 HB2 GLU B 11 92.647 -29.388 36.616 1.00 0.00 H new ATOM 0 HB3 GLU B 11 93.857 -28.645 37.644 1.00 0.00 H new ATOM 0 HG2 GLU B 11 92.343 -29.928 39.073 1.00 0.00 H new ATOM 0 HG3 GLU B 11 92.068 -28.227 39.390 1.00 0.00 H new ATOM 1014 N HIS B 12 91.799 -25.817 38.739 1.00 0.00 N ATOM 1015 CA HIS B 12 92.054 -24.774 39.778 1.00 0.00 C ATOM 1016 C HIS B 12 93.226 -25.205 40.668 1.00 0.00 C ATOM 1017 O HIS B 12 93.039 -25.686 41.769 1.00 0.00 O ATOM 1018 CB HIS B 12 90.786 -24.611 40.626 1.00 0.00 C ATOM 1019 CG HIS B 12 90.995 -23.584 41.707 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.786 -22.227 41.494 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.349 -23.705 43.029 1.00 0.00 C ATOM 1022 CE1 HIS B 12 91.007 -21.592 42.663 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.354 -22.449 43.625 1.00 0.00 N ATOM 0 H HIS B 12 90.852 -26.197 38.737 1.00 0.00 H new ATOM 0 HA HIS B 12 92.307 -23.826 39.303 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.953 -24.312 39.990 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.517 -25.568 41.074 1.00 0.00 H new ATOM 0 HD1 HIS B 12 90.515 -21.790 40.613 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.587 -24.633 43.528 1.00 0.00 H new ATOM 0 HE1 HIS B 12 90.915 -20.525 42.803 1.00 0.00 H new ATOM 1031 N GLU B 13 94.438 -25.034 40.193 1.00 0.00 N ATOM 1032 CA GLU B 13 95.641 -25.428 40.993 1.00 0.00 C ATOM 1033 C GLU B 13 96.262 -24.175 41.633 1.00 0.00 C ATOM 1034 O GLU B 13 95.592 -23.190 41.874 1.00 0.00 O ATOM 1035 CB GLU B 13 96.664 -26.107 40.059 1.00 0.00 C ATOM 1036 CG GLU B 13 97.518 -27.118 40.843 1.00 0.00 C ATOM 1037 CD GLU B 13 98.822 -27.395 40.086 1.00 0.00 C ATOM 1038 OE1 GLU B 13 98.762 -28.059 39.065 1.00 0.00 O ATOM 1039 OE2 GLU B 13 99.856 -26.935 40.542 1.00 0.00 O ATOM 0 H GLU B 13 94.646 -24.635 39.278 1.00 0.00 H new ATOM 0 HA GLU B 13 95.354 -26.123 41.782 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.144 -26.614 39.246 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.307 -25.353 39.604 1.00 0.00 H new ATOM 0 HG2 GLU B 13 97.739 -26.728 41.836 1.00 0.00 H new ATOM 0 HG3 GLU B 13 96.963 -28.046 40.982 1.00 0.00 H new ATOM 1046 N LYS B 14 97.541 -24.211 41.909 1.00 0.00 N ATOM 1047 CA LYS B 14 98.219 -23.034 42.530 1.00 0.00 C ATOM 1048 C LYS B 14 98.311 -21.884 41.524 1.00 0.00 C ATOM 1049 O LYS B 14 98.304 -20.726 41.888 1.00 0.00 O ATOM 1050 CB LYS B 14 99.628 -23.435 42.973 1.00 0.00 C ATOM 1051 CG LYS B 14 99.535 -24.389 44.167 1.00 0.00 C ATOM 1052 CD LYS B 14 100.937 -24.674 44.723 1.00 0.00 C ATOM 1053 CE LYS B 14 101.792 -25.407 43.682 1.00 0.00 C ATOM 1054 NZ LYS B 14 100.970 -26.433 42.978 1.00 0.00 N ATOM 0 H LYS B 14 98.148 -25.011 41.729 1.00 0.00 H new ATOM 0 HA LYS B 14 97.639 -22.705 43.392 1.00 0.00 H new ATOM 0 HB2 LYS B 14 100.157 -23.916 42.150 1.00 0.00 H new ATOM 0 HB3 LYS B 14 100.201 -22.549 43.246 1.00 0.00 H new ATOM 0 HG2 LYS B 14 98.909 -23.951 44.944 1.00 0.00 H new ATOM 0 HG3 LYS B 14 99.060 -25.321 43.862 1.00 0.00 H new ATOM 0 HD2 LYS B 14 101.420 -23.738 45.004 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.860 -25.277 45.628 1.00 0.00 H new ATOM 0 HE2 LYS B 14 102.193 -24.694 42.962 1.00 0.00 H new ATOM 0 HE3 LYS B 14 102.644 -25.883 44.168 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 101.593 -27.165 42.581 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 100.309 -26.870 43.651 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 100.434 -25.981 42.210 1.00 0.00 H new ATOM 1068 N TYR B 15 98.419 -22.196 40.263 1.00 0.00 N ATOM 1069 CA TYR B 15 98.535 -21.124 39.233 1.00 0.00 C ATOM 1070 C TYR B 15 97.298 -20.228 39.283 1.00 0.00 C ATOM 1071 O TYR B 15 97.391 -19.023 39.149 1.00 0.00 O ATOM 1072 CB TYR B 15 98.662 -21.762 37.845 1.00 0.00 C ATOM 1073 CG TYR B 15 100.070 -22.275 37.662 1.00 0.00 C ATOM 1074 CD1 TYR B 15 101.083 -21.409 37.233 1.00 0.00 C ATOM 1075 CD2 TYR B 15 100.363 -23.617 37.932 1.00 0.00 C ATOM 1076 CE1 TYR B 15 102.390 -21.886 37.073 1.00 0.00 C ATOM 1077 CE2 TYR B 15 101.669 -24.093 37.773 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.683 -23.228 37.344 1.00 0.00 C ATOM 1079 OH TYR B 15 103.970 -23.699 37.188 1.00 0.00 O ATOM 0 H TYR B 15 98.432 -23.149 39.899 1.00 0.00 H new ATOM 0 HA TYR B 15 99.420 -20.520 39.433 1.00 0.00 H new ATOM 0 HB2 TYR B 15 97.948 -22.579 37.740 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.425 -21.031 37.072 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.857 -20.374 37.026 1.00 0.00 H new ATOM 0 HD2 TYR B 15 99.581 -24.285 38.263 1.00 0.00 H new ATOM 0 HE1 TYR B 15 103.172 -21.219 36.741 1.00 0.00 H new ATOM 0 HE2 TYR B 15 101.895 -25.128 37.981 1.00 0.00 H new ATOM 0 HH TYR B 15 104.000 -24.651 37.419 1.00 0.00 H new ATOM 1089 N HIS B 16 96.138 -20.795 39.468 1.00 0.00 N ATOM 1090 CA HIS B 16 94.912 -19.953 39.517 1.00 0.00 C ATOM 1091 C HIS B 16 95.026 -18.944 40.665 1.00 0.00 C ATOM 1092 O HIS B 16 94.646 -17.799 40.530 1.00 0.00 O ATOM 1093 CB HIS B 16 93.687 -20.852 39.745 1.00 0.00 C ATOM 1094 CG HIS B 16 93.222 -21.442 38.441 1.00 0.00 C ATOM 1095 ND1 HIS B 16 91.886 -21.738 38.200 1.00 0.00 N ATOM 1096 CD2 HIS B 16 93.897 -21.787 37.295 1.00 0.00 C ATOM 1097 CE1 HIS B 16 91.800 -22.237 36.953 1.00 0.00 C ATOM 1098 NE2 HIS B 16 92.996 -22.287 36.362 1.00 0.00 N ATOM 0 H HIS B 16 95.987 -21.797 39.586 1.00 0.00 H new ATOM 0 HA HIS B 16 94.802 -19.416 38.575 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.938 -21.650 40.444 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.882 -20.273 40.198 1.00 0.00 H new ATOM 0 HD2 HIS B 16 94.961 -21.686 37.143 1.00 0.00 H new ATOM 0 HE1 HIS B 16 90.879 -22.557 36.489 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.205 -22.622 35.422 1.00 0.00 H new ATOM 1106 N SER B 17 95.549 -19.347 41.789 1.00 0.00 N ATOM 1107 CA SER B 17 95.678 -18.385 42.918 1.00 0.00 C ATOM 1108 C SER B 17 96.624 -17.254 42.508 1.00 0.00 C ATOM 1109 O SER B 17 96.352 -16.092 42.734 1.00 0.00 O ATOM 1110 CB SER B 17 96.240 -19.103 44.146 1.00 0.00 C ATOM 1111 OG SER B 17 97.560 -19.549 43.866 1.00 0.00 O ATOM 0 H SER B 17 95.889 -20.291 41.974 1.00 0.00 H new ATOM 0 HA SER B 17 94.698 -17.975 43.161 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.245 -18.431 45.004 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.606 -19.950 44.408 1.00 0.00 H new ATOM 0 HG SER B 17 97.523 -20.335 43.282 1.00 0.00 H new ATOM 1117 N ASN B 18 97.734 -17.587 41.897 1.00 0.00 N ATOM 1118 CA ASN B 18 98.706 -16.536 41.460 1.00 0.00 C ATOM 1119 C ASN B 18 98.523 -16.256 39.965 1.00 0.00 C ATOM 1120 O ASN B 18 99.091 -16.928 39.127 1.00 0.00 O ATOM 1121 CB ASN B 18 100.129 -17.039 41.711 1.00 0.00 C ATOM 1122 CG ASN B 18 100.374 -17.142 43.217 1.00 0.00 C ATOM 1123 OD1 ASN B 18 100.897 -18.130 43.694 1.00 0.00 O ATOM 1124 ND2 ASN B 18 100.011 -16.158 43.993 1.00 0.00 N ATOM 0 H ASN B 18 98.010 -18.545 41.681 1.00 0.00 H new ATOM 0 HA ASN B 18 98.532 -15.619 42.022 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.270 -18.012 41.241 1.00 0.00 H new ATOM 0 HB3 ASN B 18 100.852 -16.359 41.260 1.00 0.00 H new ATOM 0 HD21 ASN B 18 100.166 -16.218 44.999 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.572 -15.329 43.593 1.00 0.00 H new ATOM 1131 N TRP B 19 97.744 -15.267 39.623 1.00 0.00 N ATOM 1132 CA TRP B 19 97.539 -14.948 38.182 1.00 0.00 C ATOM 1133 C TRP B 19 98.784 -14.258 37.613 1.00 0.00 C ATOM 1134 O TRP B 19 99.033 -14.293 36.424 1.00 0.00 O ATOM 1135 CB TRP B 19 96.316 -14.040 38.011 1.00 0.00 C ATOM 1136 CG TRP B 19 96.552 -12.714 38.658 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.117 -12.367 39.891 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.259 -11.551 38.132 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.507 -11.067 40.155 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.215 -10.522 39.102 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.926 -11.290 36.920 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.809 -9.279 38.880 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.527 -10.040 36.694 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.468 -9.037 37.673 1.00 0.00 C ATOM 0 H TRP B 19 97.242 -14.667 40.277 1.00 0.00 H new ATOM 0 HA TRP B 19 97.369 -15.877 37.639 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.105 -13.901 36.951 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.439 -14.515 38.451 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.556 -13.002 40.561 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.297 -10.571 41.021 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.976 -12.055 36.159 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.759 -8.510 39.636 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.037 -9.850 35.761 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.932 -8.078 37.493 1.00 0.00 H new ATOM 1155 N ARG B 20 99.557 -13.613 38.445 1.00 0.00 N ATOM 1156 CA ARG B 20 100.767 -12.904 37.936 1.00 0.00 C ATOM 1157 C ARG B 20 101.740 -13.908 37.316 1.00 0.00 C ATOM 1158 O ARG B 20 102.333 -13.655 36.287 1.00 0.00 O ATOM 1159 CB ARG B 20 101.467 -12.200 39.099 1.00 0.00 C ATOM 1160 CG ARG B 20 100.611 -11.031 39.586 1.00 0.00 C ATOM 1161 CD ARG B 20 101.323 -10.338 40.747 1.00 0.00 C ATOM 1162 NE ARG B 20 100.401 -9.357 41.384 1.00 0.00 N ATOM 1163 CZ ARG B 20 100.688 -8.864 42.558 1.00 0.00 C ATOM 1164 NH1 ARG B 20 101.785 -9.226 43.164 1.00 0.00 N ATOM 1165 NH2 ARG B 20 99.880 -8.010 43.124 1.00 0.00 N ATOM 0 H ARG B 20 99.404 -13.546 39.451 1.00 0.00 H new ATOM 0 HA ARG B 20 100.461 -12.178 37.183 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.635 -12.904 39.914 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.445 -11.839 38.782 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.442 -10.325 38.773 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.632 -11.389 39.905 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.648 -11.076 41.480 1.00 0.00 H new ATOM 0 HD3 ARG B 20 102.218 -9.831 40.387 1.00 0.00 H new ATOM 0 HE ARG B 20 99.548 -9.071 40.904 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.416 -9.893 42.720 1.00 0.00 H new ATOM 0 HH12 ARG B 20 102.011 -8.842 44.081 1.00 0.00 H new ATOM 0 HH21 ARG B 20 99.023 -7.727 42.649 1.00 0.00 H new ATOM 0 HH22 ARG B 20 100.105 -7.626 44.041 1.00 0.00 H new ATOM 1179 N ALA B 21 101.907 -15.044 37.930 1.00 0.00 N ATOM 1180 CA ALA B 21 102.840 -16.057 37.364 1.00 0.00 C ATOM 1181 C ALA B 21 102.349 -16.470 35.978 1.00 0.00 C ATOM 1182 O ALA B 21 103.116 -16.592 35.043 1.00 0.00 O ATOM 1183 CB ALA B 21 102.882 -17.283 38.278 1.00 0.00 C ATOM 0 H ALA B 21 101.440 -15.315 38.796 1.00 0.00 H new ATOM 0 HA ALA B 21 103.841 -15.631 37.288 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.565 -18.024 37.862 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.227 -16.987 39.269 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.884 -17.714 38.355 1.00 0.00 H new ATOM 1189 N MET B 22 101.072 -16.690 35.844 1.00 0.00 N ATOM 1190 CA MET B 22 100.519 -17.100 34.525 1.00 0.00 C ATOM 1191 C MET B 22 100.688 -15.965 33.513 1.00 0.00 C ATOM 1192 O MET B 22 101.020 -16.188 32.367 1.00 0.00 O ATOM 1193 CB MET B 22 99.036 -17.427 34.698 1.00 0.00 C ATOM 1194 CG MET B 22 98.448 -17.901 33.370 1.00 0.00 C ATOM 1195 SD MET B 22 96.787 -18.568 33.653 1.00 0.00 S ATOM 1196 CE MET B 22 96.045 -17.081 34.371 1.00 0.00 C ATOM 0 H MET B 22 100.386 -16.603 36.593 1.00 0.00 H new ATOM 0 HA MET B 22 101.052 -17.977 34.156 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.911 -18.199 35.457 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.499 -16.546 35.049 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.404 -17.073 32.663 1.00 0.00 H new ATOM 0 HG3 MET B 22 99.088 -18.664 32.928 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.959 -17.159 34.327 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.360 -16.983 35.410 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.369 -16.205 33.809 1.00 0.00 H new ATOM 1206 N ALA B 23 100.477 -14.746 33.925 1.00 0.00 N ATOM 1207 CA ALA B 23 100.642 -13.609 32.976 1.00 0.00 C ATOM 1208 C ALA B 23 102.110 -13.521 32.558 1.00 0.00 C ATOM 1209 O ALA B 23 102.429 -13.281 31.410 1.00 0.00 O ATOM 1210 CB ALA B 23 100.225 -12.303 33.662 1.00 0.00 C ATOM 0 H ALA B 23 100.199 -14.488 34.872 1.00 0.00 H new ATOM 0 HA ALA B 23 100.016 -13.768 32.098 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.346 -11.472 32.967 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.181 -12.370 33.969 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.851 -12.137 34.539 1.00 0.00 H new ATOM 1216 N SER B 24 103.005 -13.714 33.487 1.00 0.00 N ATOM 1217 CA SER B 24 104.456 -13.644 33.157 1.00 0.00 C ATOM 1218 C SER B 24 104.859 -14.844 32.296 1.00 0.00 C ATOM 1219 O SER B 24 105.639 -14.723 31.373 1.00 0.00 O ATOM 1220 CB SER B 24 105.266 -13.656 34.453 1.00 0.00 C ATOM 1221 OG SER B 24 106.650 -13.559 34.142 1.00 0.00 O ATOM 0 H SER B 24 102.793 -13.918 34.464 1.00 0.00 H new ATOM 0 HA SER B 24 104.654 -12.727 32.602 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.966 -12.825 35.091 1.00 0.00 H new ATOM 0 HB3 SER B 24 105.070 -14.572 35.010 1.00 0.00 H new ATOM 0 HG SER B 24 107.173 -13.565 34.971 1.00 0.00 H new ATOM 1227 N ASP B 25 104.340 -16.002 32.598 1.00 0.00 N ATOM 1228 CA ASP B 25 104.705 -17.212 31.804 1.00 0.00 C ATOM 1229 C ASP B 25 104.289 -17.025 30.344 1.00 0.00 C ATOM 1230 O ASP B 25 105.005 -17.398 29.436 1.00 0.00 O ATOM 1231 CB ASP B 25 104.000 -18.439 32.393 1.00 0.00 C ATOM 1232 CG ASP B 25 104.725 -18.883 33.667 1.00 0.00 C ATOM 1233 OD1 ASP B 25 105.945 -18.872 33.665 1.00 0.00 O ATOM 1234 OD2 ASP B 25 104.049 -19.226 34.622 1.00 0.00 O ATOM 0 H ASP B 25 103.680 -16.164 33.359 1.00 0.00 H new ATOM 0 HA ASP B 25 105.784 -17.358 31.846 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.960 -18.201 32.618 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.991 -19.251 31.665 1.00 0.00 H new ATOM 1239 N PHE B 26 103.142 -16.444 30.107 1.00 0.00 N ATOM 1240 CA PHE B 26 102.679 -16.226 28.701 1.00 0.00 C ATOM 1241 C PHE B 26 102.986 -14.787 28.288 1.00 0.00 C ATOM 1242 O PHE B 26 102.687 -14.372 27.186 1.00 0.00 O ATOM 1243 CB PHE B 26 101.173 -16.474 28.614 1.00 0.00 C ATOM 1244 CG PHE B 26 100.901 -17.951 28.790 1.00 0.00 C ATOM 1245 CD1 PHE B 26 101.080 -18.550 30.042 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.473 -18.723 27.701 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.833 -19.918 30.207 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.227 -20.091 27.866 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.407 -20.689 29.119 1.00 0.00 C ATOM 0 H PHE B 26 102.503 -16.109 30.828 1.00 0.00 H new ATOM 0 HA PHE B 26 103.196 -16.916 28.034 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.653 -15.902 29.383 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.791 -16.134 27.651 1.00 0.00 H new ATOM 0 HD1 PHE B 26 101.409 -17.956 30.882 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.333 -18.262 26.734 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.971 -20.379 31.174 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.898 -20.685 27.026 1.00 0.00 H new ATOM 0 HZ PHE B 26 100.217 -21.745 29.246 1.00 0.00 H new ATOM 1259 N ASN B 27 103.583 -14.027 29.165 1.00 0.00 N ATOM 1260 CA ASN B 27 103.922 -12.615 28.832 1.00 0.00 C ATOM 1261 C ASN B 27 102.660 -11.877 28.377 1.00 0.00 C ATOM 1262 O ASN B 27 102.689 -11.104 27.439 1.00 0.00 O ATOM 1263 CB ASN B 27 104.972 -12.582 27.717 1.00 0.00 C ATOM 1264 CG ASN B 27 106.237 -13.300 28.189 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.540 -13.310 29.365 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.992 -13.908 27.316 1.00 0.00 N ATOM 0 H ASN B 27 103.852 -14.325 30.103 1.00 0.00 H new ATOM 0 HA ASN B 27 104.327 -12.124 29.717 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.581 -13.062 26.820 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.204 -11.551 27.451 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.837 -14.392 27.621 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.738 -13.900 26.328 1.00 0.00 H new ATOM 1273 N LEU B 28 101.552 -12.107 29.040 1.00 0.00 N ATOM 1274 CA LEU B 28 100.272 -11.423 28.663 1.00 0.00 C ATOM 1275 C LEU B 28 99.903 -10.432 29.773 1.00 0.00 C ATOM 1276 O LEU B 28 100.243 -10.640 30.921 1.00 0.00 O ATOM 1277 CB LEU B 28 99.159 -12.473 28.549 1.00 0.00 C ATOM 1278 CG LEU B 28 99.406 -13.388 27.341 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.515 -14.628 27.462 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.080 -12.651 26.028 1.00 0.00 C ATOM 0 H LEU B 28 101.478 -12.744 29.833 1.00 0.00 H new ATOM 0 HA LEU B 28 100.391 -10.902 27.713 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.117 -13.068 29.461 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.193 -11.978 28.447 1.00 0.00 H new ATOM 0 HG LEU B 28 100.456 -13.679 27.326 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.685 -15.283 26.607 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.757 -15.161 28.381 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.469 -14.323 27.483 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.261 -13.315 25.183 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.033 -12.346 26.032 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.714 -11.769 25.939 1.00 0.00 H new ATOM 1292 N PRO B 29 99.208 -9.366 29.453 1.00 0.00 N ATOM 1293 CA PRO B 29 98.800 -8.359 30.472 1.00 0.00 C ATOM 1294 C PRO B 29 97.739 -8.931 31.423 1.00 0.00 C ATOM 1295 O PRO B 29 97.085 -9.905 31.111 1.00 0.00 O ATOM 1296 CB PRO B 29 98.232 -7.197 29.640 1.00 0.00 C ATOM 1297 CG PRO B 29 97.782 -7.826 28.359 1.00 0.00 C ATOM 1298 CD PRO B 29 98.737 -8.997 28.102 1.00 0.00 C ATOM 0 HA PRO B 29 99.628 -8.050 31.110 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.403 -6.711 30.154 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.988 -6.433 29.461 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.752 -8.173 28.436 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.816 -7.108 27.539 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.229 -9.829 27.614 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.564 -8.705 27.455 1.00 0.00 H new ATOM 1306 N PRO B 30 97.577 -8.338 32.574 1.00 0.00 N ATOM 1307 CA PRO B 30 96.586 -8.810 33.581 1.00 0.00 C ATOM 1308 C PRO B 30 95.177 -8.907 32.978 1.00 0.00 C ATOM 1309 O PRO B 30 94.304 -9.557 33.512 1.00 0.00 O ATOM 1310 CB PRO B 30 96.645 -7.744 34.702 1.00 0.00 C ATOM 1311 CG PRO B 30 97.385 -6.577 34.114 1.00 0.00 C ATOM 1312 CD PRO B 30 98.306 -7.153 33.041 1.00 0.00 C ATOM 0 HA PRO B 30 96.813 -9.811 33.947 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.643 -7.453 35.019 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.159 -8.130 35.583 1.00 0.00 H new ATOM 0 HG2 PRO B 30 96.692 -5.853 33.685 1.00 0.00 H new ATOM 0 HG3 PRO B 30 97.958 -6.054 34.879 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.477 -6.441 32.233 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.283 -7.415 33.447 1.00 0.00 H new ATOM 1320 N VAL B 31 94.950 -8.255 31.873 1.00 0.00 N ATOM 1321 CA VAL B 31 93.598 -8.299 31.252 1.00 0.00 C ATOM 1322 C VAL B 31 93.211 -9.736 30.898 1.00 0.00 C ATOM 1323 O VAL B 31 92.151 -10.204 31.263 1.00 0.00 O ATOM 1324 CB VAL B 31 93.612 -7.433 29.981 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.341 -7.668 29.156 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.697 -5.954 30.374 1.00 0.00 C ATOM 0 H VAL B 31 95.641 -7.695 31.374 1.00 0.00 H new ATOM 0 HA VAL B 31 92.863 -7.916 31.960 1.00 0.00 H new ATOM 0 HB VAL B 31 94.478 -7.708 29.378 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.368 -7.047 28.261 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.283 -8.718 28.868 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.467 -7.407 29.752 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.707 -5.339 29.474 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.834 -5.690 30.985 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.611 -5.781 30.943 1.00 0.00 H new ATOM 1336 N VAL B 32 94.049 -10.443 30.200 1.00 0.00 N ATOM 1337 CA VAL B 32 93.694 -11.843 29.844 1.00 0.00 C ATOM 1338 C VAL B 32 93.715 -12.698 31.110 1.00 0.00 C ATOM 1339 O VAL B 32 92.834 -13.499 31.351 1.00 0.00 O ATOM 1340 CB VAL B 32 94.699 -12.391 28.830 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.447 -13.886 28.614 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.532 -11.652 27.500 1.00 0.00 C ATOM 0 H VAL B 32 94.955 -10.118 29.863 1.00 0.00 H new ATOM 0 HA VAL B 32 92.698 -11.868 29.401 1.00 0.00 H new ATOM 0 HB VAL B 32 95.711 -12.244 29.207 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.164 -14.275 27.891 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.562 -14.415 29.560 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.435 -14.034 28.237 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.247 -12.041 26.775 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.519 -11.801 27.126 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.710 -10.587 27.650 1.00 0.00 H new ATOM 1352 N ALA B 33 94.721 -12.528 31.922 1.00 0.00 N ATOM 1353 CA ALA B 33 94.810 -13.324 33.175 1.00 0.00 C ATOM 1354 C ALA B 33 93.608 -13.011 34.070 1.00 0.00 C ATOM 1355 O ALA B 33 93.007 -13.896 34.645 1.00 0.00 O ATOM 1356 CB ALA B 33 96.110 -12.975 33.906 1.00 0.00 C ATOM 0 H ALA B 33 95.486 -11.871 31.770 1.00 0.00 H new ATOM 0 HA ALA B 33 94.806 -14.387 32.934 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.178 -13.557 34.825 1.00 0.00 H new ATOM 0 HB2 ALA B 33 96.961 -13.207 33.266 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.117 -11.912 34.148 1.00 0.00 H new ATOM 1362 N LYS B 34 93.246 -11.760 34.191 1.00 0.00 N ATOM 1363 CA LYS B 34 92.076 -11.406 35.046 1.00 0.00 C ATOM 1364 C LYS B 34 90.806 -12.059 34.490 1.00 0.00 C ATOM 1365 O LYS B 34 89.969 -12.534 35.231 1.00 0.00 O ATOM 1366 CB LYS B 34 91.912 -9.881 35.085 1.00 0.00 C ATOM 1367 CG LYS B 34 93.030 -9.241 35.933 1.00 0.00 C ATOM 1368 CD LYS B 34 92.656 -9.268 37.422 1.00 0.00 C ATOM 1369 CE LYS B 34 93.720 -8.518 38.228 1.00 0.00 C ATOM 1370 NZ LYS B 34 93.244 -8.335 39.628 1.00 0.00 N ATOM 0 H LYS B 34 93.708 -10.972 33.737 1.00 0.00 H new ATOM 0 HA LYS B 34 92.244 -11.773 36.058 1.00 0.00 H new ATOM 0 HB2 LYS B 34 91.941 -9.480 34.072 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.938 -9.624 35.502 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.966 -9.778 35.777 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.195 -8.213 35.612 1.00 0.00 H new ATOM 0 HD2 LYS B 34 91.679 -8.807 37.571 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.579 -10.298 37.770 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.657 -9.075 38.221 1.00 0.00 H new ATOM 0 HE3 LYS B 34 93.922 -7.549 37.771 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.966 -7.826 40.176 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.360 -7.787 39.625 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.073 -9.265 40.061 1.00 0.00 H new ATOM 1384 N GLU B 35 90.649 -12.079 33.194 1.00 0.00 N ATOM 1385 CA GLU B 35 89.423 -12.691 32.602 1.00 0.00 C ATOM 1386 C GLU B 35 89.329 -14.165 32.998 1.00 0.00 C ATOM 1387 O GLU B 35 88.267 -14.659 33.322 1.00 0.00 O ATOM 1388 CB GLU B 35 89.480 -12.569 31.074 1.00 0.00 C ATOM 1389 CG GLU B 35 88.309 -13.334 30.434 1.00 0.00 C ATOM 1390 CD GLU B 35 88.647 -14.826 30.326 1.00 0.00 C ATOM 1391 OE1 GLU B 35 89.639 -15.144 29.690 1.00 0.00 O ATOM 1392 OE2 GLU B 35 87.913 -15.622 30.889 1.00 0.00 O ATOM 0 H GLU B 35 91.314 -11.699 32.520 1.00 0.00 H new ATOM 0 HA GLU B 35 88.544 -12.168 32.978 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.439 -11.519 30.784 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.427 -12.965 30.706 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.408 -13.200 31.032 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.098 -12.929 29.444 1.00 0.00 H new ATOM 1399 N ILE B 36 90.421 -14.875 32.979 1.00 0.00 N ATOM 1400 CA ILE B 36 90.367 -16.312 33.362 1.00 0.00 C ATOM 1401 C ILE B 36 89.941 -16.405 34.826 1.00 0.00 C ATOM 1402 O ILE B 36 89.148 -17.245 35.204 1.00 0.00 O ATOM 1403 CB ILE B 36 91.742 -16.947 33.151 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.099 -16.852 31.665 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.699 -18.419 33.571 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.554 -17.270 31.451 1.00 0.00 C ATOM 0 H ILE B 36 91.343 -14.526 32.717 1.00 0.00 H new ATOM 0 HA ILE B 36 89.647 -16.849 32.744 1.00 0.00 H new ATOM 0 HB ILE B 36 92.488 -16.427 33.751 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.438 -17.493 31.082 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.949 -15.832 31.311 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.680 -18.869 33.420 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.426 -18.489 34.624 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.960 -18.948 32.969 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.801 -17.200 30.392 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.209 -16.611 32.021 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.691 -18.298 31.788 1.00 0.00 H new ATOM 1418 N VAL B 37 90.444 -15.525 35.646 1.00 0.00 N ATOM 1419 CA VAL B 37 90.052 -15.528 37.083 1.00 0.00 C ATOM 1420 C VAL B 37 88.549 -15.264 37.187 1.00 0.00 C ATOM 1421 O VAL B 37 87.855 -15.859 37.986 1.00 0.00 O ATOM 1422 CB VAL B 37 90.824 -14.424 37.814 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.263 -14.241 39.230 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.302 -14.815 37.898 1.00 0.00 C ATOM 0 H VAL B 37 91.112 -14.801 35.382 1.00 0.00 H new ATOM 0 HA VAL B 37 90.284 -16.492 37.535 1.00 0.00 H new ATOM 0 HB VAL B 37 90.719 -13.488 37.266 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.817 -13.455 39.742 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.210 -13.964 39.171 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.362 -15.174 39.784 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.856 -14.033 38.417 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.400 -15.753 38.445 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.704 -14.938 36.892 1.00 0.00 H new ATOM 1434 N ALA B 38 88.046 -14.374 36.378 1.00 0.00 N ATOM 1435 CA ALA B 38 86.590 -14.062 36.418 1.00 0.00 C ATOM 1436 C ALA B 38 85.799 -15.261 35.892 1.00 0.00 C ATOM 1437 O ALA B 38 84.692 -15.519 36.319 1.00 0.00 O ATOM 1438 CB ALA B 38 86.307 -12.838 35.544 1.00 0.00 C ATOM 0 H ALA B 38 88.582 -13.847 35.688 1.00 0.00 H new ATOM 0 HA ALA B 38 86.290 -13.851 37.444 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.242 -12.609 35.573 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.872 -11.985 35.919 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.606 -13.047 34.517 1.00 0.00 H new ATOM 1444 N SER B 39 86.355 -15.995 34.968 1.00 0.00 N ATOM 1445 CA SER B 39 85.627 -17.172 34.420 1.00 0.00 C ATOM 1446 C SER B 39 85.586 -18.279 35.478 1.00 0.00 C ATOM 1447 O SER B 39 84.584 -18.944 35.651 1.00 0.00 O ATOM 1448 CB SER B 39 86.336 -17.678 33.164 1.00 0.00 C ATOM 1449 OG SER B 39 86.186 -16.719 32.125 1.00 0.00 O ATOM 0 H SER B 39 87.280 -15.831 34.570 1.00 0.00 H new ATOM 0 HA SER B 39 84.609 -16.883 34.159 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.393 -17.846 33.371 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.916 -18.635 32.855 1.00 0.00 H new ATOM 0 HG SER B 39 87.056 -16.314 31.926 1.00 0.00 H new ATOM 1455 N CYS B 40 86.660 -18.475 36.195 1.00 0.00 N ATOM 1456 CA CYS B 40 86.665 -19.531 37.249 1.00 0.00 C ATOM 1457 C CYS B 40 85.864 -19.034 38.456 1.00 0.00 C ATOM 1458 O CYS B 40 86.271 -18.128 39.155 1.00 0.00 O ATOM 1459 CB CYS B 40 88.105 -19.831 37.676 1.00 0.00 C ATOM 1460 SG CYS B 40 88.142 -21.354 38.654 1.00 0.00 S ATOM 0 H CYS B 40 87.530 -17.952 36.097 1.00 0.00 H new ATOM 0 HA CYS B 40 86.214 -20.442 36.856 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.742 -19.935 36.797 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.502 -19.001 38.261 1.00 0.00 H new ATOM 0 HG CYS B 40 89.361 -21.802 38.713 1.00 0.00 H new ATOM 1465 N ASP B 41 84.721 -19.616 38.696 1.00 0.00 N ATOM 1466 CA ASP B 41 83.873 -19.181 39.846 1.00 0.00 C ATOM 1467 C ASP B 41 84.624 -19.363 41.168 1.00 0.00 C ATOM 1468 O ASP B 41 84.534 -18.543 42.059 1.00 0.00 O ATOM 1469 CB ASP B 41 82.586 -20.007 39.872 1.00 0.00 C ATOM 1470 CG ASP B 41 81.703 -19.608 38.688 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.813 -18.475 38.248 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.935 -20.443 38.241 1.00 0.00 O ATOM 0 H ASP B 41 84.334 -20.380 38.142 1.00 0.00 H new ATOM 0 HA ASP B 41 83.632 -18.125 39.723 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.822 -21.070 39.822 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.054 -19.842 40.809 1.00 0.00 H new ATOM 1477 N LYS B 42 85.350 -20.436 41.311 1.00 0.00 N ATOM 1478 CA LYS B 42 86.084 -20.669 42.588 1.00 0.00 C ATOM 1479 C LYS B 42 87.070 -19.528 42.842 1.00 0.00 C ATOM 1480 O LYS B 42 87.226 -19.076 43.959 1.00 0.00 O ATOM 1481 CB LYS B 42 86.848 -21.997 42.507 1.00 0.00 C ATOM 1482 CG LYS B 42 85.859 -23.166 42.523 1.00 0.00 C ATOM 1483 CD LYS B 42 86.630 -24.488 42.442 1.00 0.00 C ATOM 1484 CE LYS B 42 85.646 -25.661 42.475 1.00 0.00 C ATOM 1485 NZ LYS B 42 85.082 -25.790 43.850 1.00 0.00 N ATOM 0 H LYS B 42 85.467 -21.160 40.602 1.00 0.00 H new ATOM 0 HA LYS B 42 85.366 -20.710 43.408 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.447 -22.028 41.597 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.539 -22.082 43.346 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.260 -23.137 43.433 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.168 -23.083 41.684 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.220 -24.521 41.526 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.330 -24.564 43.274 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.845 -25.499 41.754 1.00 0.00 H new ATOM 0 HE3 LYS B 42 86.151 -26.583 42.188 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.620 -26.717 43.950 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 85.848 -25.707 44.549 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 84.384 -25.036 44.011 1.00 0.00 H new ATOM 1499 N CYS B 43 87.735 -19.052 41.829 1.00 0.00 N ATOM 1500 CA CYS B 43 88.698 -17.936 42.042 1.00 0.00 C ATOM 1501 C CYS B 43 87.936 -16.620 42.221 1.00 0.00 C ATOM 1502 O CYS B 43 88.367 -15.731 42.928 1.00 0.00 O ATOM 1503 CB CYS B 43 89.612 -17.794 40.826 1.00 0.00 C ATOM 1504 SG CYS B 43 90.423 -19.367 40.470 1.00 0.00 S ATOM 0 H CYS B 43 87.655 -19.384 40.868 1.00 0.00 H new ATOM 0 HA CYS B 43 89.289 -18.156 42.931 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.032 -17.472 39.961 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.361 -17.024 41.012 1.00 0.00 H new ATOM 0 HG CYS B 43 89.612 -20.132 39.801 1.00 0.00 H new ATOM 1509 N GLN B 44 86.820 -16.477 41.555 1.00 0.00 N ATOM 1510 CA GLN B 44 86.046 -15.203 41.648 1.00 0.00 C ATOM 1511 C GLN B 44 85.230 -15.157 42.942 1.00 0.00 C ATOM 1512 O GLN B 44 85.518 -14.386 43.837 1.00 0.00 O ATOM 1513 CB GLN B 44 85.094 -15.118 40.450 1.00 0.00 C ATOM 1514 CG GLN B 44 84.336 -13.787 40.472 1.00 0.00 C ATOM 1515 CD GLN B 44 83.377 -13.730 39.282 1.00 0.00 C ATOM 1516 OE1 GLN B 44 82.486 -12.903 39.244 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.515 -14.583 38.303 1.00 0.00 N ATOM 0 H GLN B 44 86.410 -17.188 40.950 1.00 0.00 H new ATOM 0 HA GLN B 44 86.742 -14.364 41.646 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.657 -15.209 39.521 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.388 -15.948 40.477 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.782 -13.687 41.405 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.039 -12.955 40.427 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.262 -15.277 38.333 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.876 -14.555 37.508 1.00 0.00 H new