USER MOD reduce.3.24.130724 H: found=0, std=0, add=1094, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1088 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 8 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Set 1.2: B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: B 13 THR OG1 : rot -78:sc= -0.394 USER MOD Set 2.2: B 14 SER OG : rot 88:sc= -0.148 USER MOD Set 3.1: A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 2 ASN : amide:sc=0.000445 K(o=0.00044,f=-2.1!) USER MOD Set 4.2: A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 147:sc= 0.13 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 88:sc= -0.0316 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 79:sc= 1.12 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 82:sc= 0.603 USER MOD Single : A 33 THR OG1 : rot -21:sc= 0.729 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 49 ASN : amide:sc= -0.0738 X(o=-0.074,f=-0.51) USER MOD Single : A 75 LYS NZ :NH3+ 178:sc= 0.00287 (180deg=0.00267) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 166:sc= -0.833 (180deg=-1.52) USER MOD Single : B 1 MET N :NH3+ 169:sc= 0.379 (180deg=0.185) USER MOD Single : B 2 ASN : amide:sc= -0.146 K(o=-0.15,f=-3.8!) USER MOD Single : B 3 LYS NZ :NH3+ 172:sc= 0.0412 (180deg=0.0301) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot 111:sc= 0.00515 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 THR OG1 : rot 78:sc= 0.935 USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 SER OG : rot -160:sc= 0 USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : B 49 ASN : amide:sc= -0.0213 K(o=-0.021,f=-1.2) USER MOD Single : B 75 LYS NZ :NH3+ -173:sc= 0.0597 (180deg=0.0498) USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N ASN A 2 -10.405 10.607 -0.722 1.00 0.00 N ATOM 20 CA ASN A 2 -9.607 11.761 -1.255 1.00 0.00 C ATOM 21 C ASN A 2 -8.335 12.102 -0.415 1.00 0.00 C ATOM 22 O ASN A 2 -7.375 12.635 -0.969 1.00 0.00 O ATOM 23 CB ASN A 2 -10.297 13.101 -1.643 1.00 0.00 C ATOM 24 CG ASN A 2 -10.850 13.998 -0.516 1.00 0.00 C ATOM 25 OD1 ASN A 2 -10.114 14.798 0.061 1.00 0.00 O ATOM 26 ND2 ASN A 2 -12.134 13.923 -0.206 1.00 0.00 N ATOM 0 HA ASN A 2 -9.368 11.299 -2.213 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -9.579 13.690 -2.214 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -11.122 12.866 -2.315 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -12.521 14.531 0.516 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -12.737 13.257 -0.689 1.00 0.00 H new ATOM 33 N LYS A 3 -8.405 11.819 0.895 1.00 0.00 N ATOM 34 CA LYS A 3 -7.429 12.143 1.980 1.00 0.00 C ATOM 35 C LYS A 3 -8.167 12.830 3.180 1.00 0.00 C ATOM 36 O LYS A 3 -7.682 12.739 4.306 1.00 0.00 O ATOM 37 CB LYS A 3 -6.103 12.875 1.610 1.00 0.00 C ATOM 38 CG LYS A 3 -5.056 12.944 2.750 1.00 0.00 C ATOM 39 CD LYS A 3 -3.585 13.193 2.357 1.00 0.00 C ATOM 40 CE LYS A 3 -2.872 11.950 1.790 1.00 0.00 C ATOM 41 NZ LYS A 3 -1.424 12.173 1.631 1.00 0.00 N ATOM 0 H LYS A 3 -9.209 11.315 1.268 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.042 11.163 2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.654 12.372 0.754 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.342 13.890 1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.359 13.735 3.436 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.101 12.007 3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.547 13.991 1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.040 13.545 3.233 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.038 11.102 2.454 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.308 11.690 0.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.915 11.282 1.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.228 12.507 0.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.106 12.888 2.316 1.00 0.00 H new ATOM 54 N THR A 4 -9.308 13.506 2.960 1.00 0.00 N ATOM 55 CA THR A 4 -10.152 14.142 3.953 1.00 0.00 C ATOM 56 C THR A 4 -11.317 13.216 4.408 1.00 0.00 C ATOM 57 O THR A 4 -11.664 13.270 5.592 1.00 0.00 O ATOM 58 CB THR A 4 -10.617 15.424 3.239 1.00 0.00 C ATOM 59 OG1 THR A 4 -9.529 16.267 2.851 1.00 0.00 O ATOM 60 CG2 THR A 4 -11.471 16.208 4.187 1.00 0.00 C ATOM 0 H THR A 4 -9.678 13.623 2.017 1.00 0.00 H new ATOM 0 HA THR A 4 -9.639 14.362 4.890 1.00 0.00 H new ATOM 0 HB THR A 4 -11.153 15.119 2.340 1.00 0.00 H new ATOM 0 HG1 THR A 4 -9.878 17.065 2.401 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.811 17.122 3.700 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.334 15.610 4.479 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.890 16.464 5.073 1.00 0.00 H new ATOM 68 N GLU A 5 -11.939 12.406 3.512 1.00 0.00 N ATOM 69 CA GLU A 5 -12.815 11.280 3.981 1.00 0.00 C ATOM 70 C GLU A 5 -12.002 10.249 4.864 1.00 0.00 C ATOM 71 O GLU A 5 -12.583 9.540 5.689 1.00 0.00 O ATOM 72 CB GLU A 5 -13.581 10.558 2.841 1.00 0.00 C ATOM 73 CG GLU A 5 -14.201 11.399 1.704 1.00 0.00 C ATOM 74 CD GLU A 5 -15.259 12.413 2.152 1.00 0.00 C ATOM 75 OE1 GLU A 5 -16.436 12.119 2.355 1.00 0.00 O ATOM 76 OE2 GLU A 5 -14.739 13.675 2.300 1.00 0.00 O ATOM 0 H GLU A 5 -11.861 12.497 2.499 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.581 11.746 4.601 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.895 9.844 2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.384 9.981 3.299 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.402 11.933 1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.652 10.724 0.977 1.00 0.00 H new ATOM 84 N LEU A 6 -10.655 10.228 4.686 1.00 0.00 N ATOM 85 CA LEU A 6 -9.684 9.617 5.606 1.00 0.00 C ATOM 86 C LEU A 6 -9.723 10.272 7.014 1.00 0.00 C ATOM 87 O LEU A 6 -9.957 9.548 7.969 1.00 0.00 O ATOM 88 CB LEU A 6 -8.253 9.759 4.985 1.00 0.00 C ATOM 89 CG LEU A 6 -7.392 8.486 4.978 1.00 0.00 C ATOM 90 CD1 LEU A 6 -6.054 8.719 4.252 1.00 0.00 C ATOM 91 CD2 LEU A 6 -7.218 7.902 6.391 1.00 0.00 C ATOM 0 H LEU A 6 -10.211 10.651 3.871 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.942 8.566 5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.357 10.109 3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.716 10.534 5.533 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.926 7.726 4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.468 7.800 4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.246 9.013 3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.499 9.510 4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.603 7.003 6.340 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.733 8.638 7.032 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.195 7.650 6.803 1.00 0.00 H new ATOM 103 N ILE A 7 -9.546 11.607 7.140 1.00 0.00 N ATOM 104 CA ILE A 7 -9.554 12.367 8.434 1.00 0.00 C ATOM 105 C ILE A 7 -10.842 12.111 9.264 1.00 0.00 C ATOM 106 O ILE A 7 -10.744 11.772 10.446 1.00 0.00 O ATOM 107 CB ILE A 7 -9.309 13.904 8.194 1.00 0.00 C ATOM 108 CG1 ILE A 7 -8.034 14.178 7.349 1.00 0.00 C ATOM 109 CG2 ILE A 7 -9.223 14.717 9.512 1.00 0.00 C ATOM 110 CD1 ILE A 7 -7.951 15.532 6.643 1.00 0.00 C ATOM 0 H ILE A 7 -9.389 12.210 6.332 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.724 11.988 9.031 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.184 14.239 7.637 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -7.167 14.082 8.002 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.953 13.396 6.594 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.053 15.769 9.280 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.157 14.613 10.065 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -8.399 14.341 10.118 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.015 15.597 6.089 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -8.789 15.635 5.953 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.991 16.331 7.383 1.00 0.00 H new ATOM 122 N ASN A 8 -12.023 12.259 8.634 1.00 0.00 N ATOM 123 CA ASN A 8 -13.317 11.920 9.289 1.00 0.00 C ATOM 124 C ASN A 8 -13.525 10.405 9.613 1.00 0.00 C ATOM 125 O ASN A 8 -14.338 10.110 10.489 1.00 0.00 O ATOM 126 CB ASN A 8 -14.514 12.491 8.481 1.00 0.00 C ATOM 127 CG ASN A 8 -14.608 14.030 8.435 1.00 0.00 C ATOM 128 OD1 ASN A 8 -14.999 14.673 9.410 1.00 0.00 O ATOM 129 ND2 ASN A 8 -14.258 14.645 7.315 1.00 0.00 N ATOM 0 H ASN A 8 -12.116 12.608 7.680 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.272 12.404 10.264 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -14.452 12.117 7.459 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -15.438 12.100 8.908 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.311 15.662 7.254 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -13.936 14.102 6.514 1.00 0.00 H new ATOM 136 N ALA A 9 -12.815 9.461 8.954 1.00 0.00 N ATOM 137 CA ALA A 9 -12.788 8.034 9.373 1.00 0.00 C ATOM 138 C ALA A 9 -12.073 7.786 10.710 1.00 0.00 C ATOM 139 O ALA A 9 -12.560 7.024 11.542 1.00 0.00 O ATOM 140 CB ALA A 9 -11.963 7.199 8.362 1.00 0.00 C ATOM 0 H ALA A 9 -12.251 9.659 8.128 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.840 7.756 9.442 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.949 6.156 8.677 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.416 7.273 7.373 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.942 7.580 8.323 1.00 0.00 H new ATOM 146 N VAL A 10 -10.898 8.412 10.869 1.00 0.00 N ATOM 147 CA VAL A 10 -9.991 8.248 12.009 1.00 0.00 C ATOM 148 C VAL A 10 -10.583 8.846 13.253 1.00 0.00 C ATOM 149 O VAL A 10 -10.745 8.163 14.261 1.00 0.00 O ATOM 150 CB VAL A 10 -8.549 8.777 11.745 1.00 0.00 C ATOM 151 CG1 VAL A 10 -7.488 8.044 12.547 1.00 0.00 C ATOM 152 CG2 VAL A 10 -8.188 8.709 10.274 1.00 0.00 C ATOM 0 H VAL A 10 -10.541 9.072 10.178 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.880 7.174 12.159 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.563 9.817 12.072 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.507 8.460 12.318 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.692 8.160 13.611 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.503 6.985 12.288 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.176 9.086 10.130 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.242 7.675 9.934 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.887 9.317 9.699 1.00 0.00 H new ATOM 162 N ALA A 11 -10.937 10.124 13.121 1.00 0.00 N ATOM 163 CA ALA A 11 -11.608 10.836 14.187 1.00 0.00 C ATOM 164 C ALA A 11 -13.018 10.319 14.571 1.00 0.00 C ATOM 165 O ALA A 11 -13.400 10.504 15.730 1.00 0.00 O ATOM 166 CB ALA A 11 -11.576 12.320 13.822 1.00 0.00 C ATOM 0 H ALA A 11 -10.766 10.680 12.283 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.066 10.651 15.115 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.073 12.897 14.602 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.541 12.650 13.730 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -12.091 12.473 12.873 1.00 0.00 H new ATOM 172 N GLU A 12 -13.765 9.660 13.647 1.00 0.00 N ATOM 173 CA GLU A 12 -15.024 8.972 14.018 1.00 0.00 C ATOM 174 C GLU A 12 -14.750 7.604 14.703 1.00 0.00 C ATOM 175 O GLU A 12 -15.336 7.371 15.766 1.00 0.00 O ATOM 176 CB GLU A 12 -15.993 8.885 12.806 1.00 0.00 C ATOM 177 CG GLU A 12 -17.396 8.289 13.063 1.00 0.00 C ATOM 178 CD GLU A 12 -18.264 9.094 14.038 1.00 0.00 C ATOM 179 OE1 GLU A 12 -18.354 8.831 15.237 1.00 0.00 O ATOM 180 OE2 GLU A 12 -18.916 10.130 13.421 1.00 0.00 O ATOM 0 H GLU A 12 -13.521 9.592 12.659 1.00 0.00 H new ATOM 0 HA GLU A 12 -15.537 9.573 14.769 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -16.122 9.890 12.404 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -15.511 8.290 12.030 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -17.922 8.208 12.111 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -17.281 7.277 13.451 1.00 0.00 H new ATOM 188 N THR A 13 -13.885 6.724 14.144 1.00 0.00 N ATOM 189 CA THR A 13 -13.597 5.386 14.769 1.00 0.00 C ATOM 190 C THR A 13 -12.432 5.266 15.801 1.00 0.00 C ATOM 191 O THR A 13 -12.035 4.165 16.193 1.00 0.00 O ATOM 192 CB THR A 13 -13.644 4.312 13.655 1.00 0.00 C ATOM 193 OG1 THR A 13 -14.213 3.108 14.157 1.00 0.00 O ATOM 194 CG2 THR A 13 -12.342 3.964 12.940 1.00 0.00 C ATOM 0 H THR A 13 -13.377 6.900 13.277 1.00 0.00 H new ATOM 0 HA THR A 13 -14.395 5.206 15.490 1.00 0.00 H new ATOM 0 HB THR A 13 -14.256 4.793 12.892 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.239 2.436 13.444 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.533 3.198 12.188 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.943 4.856 12.456 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.618 3.589 13.664 1.00 0.00 H new ATOM 202 N SER A 14 -11.958 6.422 16.260 1.00 0.00 N ATOM 203 CA SER A 14 -10.887 6.547 17.292 1.00 0.00 C ATOM 204 C SER A 14 -11.187 7.624 18.376 1.00 0.00 C ATOM 205 O SER A 14 -10.814 7.407 19.534 1.00 0.00 O ATOM 206 CB SER A 14 -9.484 6.822 16.692 1.00 0.00 C ATOM 207 OG SER A 14 -9.158 5.910 15.650 1.00 0.00 O ATOM 0 H SER A 14 -12.302 7.324 15.931 1.00 0.00 H new ATOM 0 HA SER A 14 -10.880 5.567 17.769 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.449 7.841 16.305 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.734 6.754 17.480 1.00 0.00 H new ATOM 0 HG SER A 14 -9.492 6.256 14.796 1.00 0.00 H new ATOM 213 N GLY A 15 -11.802 8.779 18.027 1.00 0.00 N ATOM 214 CA GLY A 15 -12.033 9.887 18.988 1.00 0.00 C ATOM 215 C GLY A 15 -10.789 10.686 19.418 1.00 0.00 C ATOM 216 O GLY A 15 -10.473 10.800 20.604 1.00 0.00 O ATOM 0 H GLY A 15 -12.148 8.969 17.086 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.749 10.580 18.546 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -12.500 9.473 19.882 1.00 0.00 H new ATOM 220 N LEU A 16 -10.137 11.257 18.406 1.00 0.00 N ATOM 221 CA LEU A 16 -8.952 12.129 18.542 1.00 0.00 C ATOM 222 C LEU A 16 -9.465 13.580 18.260 1.00 0.00 C ATOM 223 O LEU A 16 -10.384 14.090 18.910 1.00 0.00 O ATOM 224 CB LEU A 16 -7.677 11.433 17.927 1.00 0.00 C ATOM 225 CG LEU A 16 -7.868 10.849 16.518 1.00 0.00 C ATOM 226 CD1 LEU A 16 -8.581 11.699 15.529 1.00 0.00 C ATOM 227 CD2 LEU A 16 -6.925 9.868 15.803 1.00 0.00 C ATOM 0 H LEU A 16 -10.421 11.127 17.435 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.480 12.282 19.513 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.865 12.160 17.895 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.361 10.632 18.596 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.481 10.104 17.026 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.649 11.171 14.578 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.584 11.919 15.894 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.034 12.631 15.389 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.324 9.634 14.816 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.940 10.322 15.698 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.842 8.952 16.388 1.00 0.00 H new ATOM 239 N SER A 17 -8.826 14.214 17.301 1.00 0.00 N ATOM 240 CA SER A 17 -9.213 15.522 16.713 1.00 0.00 C ATOM 241 C SER A 17 -9.176 15.432 15.162 1.00 0.00 C ATOM 242 O SER A 17 -8.467 14.613 14.584 1.00 0.00 O ATOM 243 CB SER A 17 -8.296 16.655 17.209 1.00 0.00 C ATOM 244 OG SER A 17 -8.298 16.763 18.629 1.00 0.00 O ATOM 0 H SER A 17 -7.981 13.832 16.876 1.00 0.00 H new ATOM 0 HA SER A 17 -10.228 15.756 17.036 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.279 16.476 16.861 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.620 17.600 16.774 1.00 0.00 H new ATOM 0 HG SER A 17 -7.703 17.492 18.902 1.00 0.00 H new ATOM 250 N LYS A 18 -9.909 16.303 14.446 1.00 0.00 N ATOM 251 CA LYS A 18 -9.758 16.437 12.957 1.00 0.00 C ATOM 252 C LYS A 18 -8.304 16.874 12.585 1.00 0.00 C ATOM 253 O LYS A 18 -7.700 16.252 11.716 1.00 0.00 O ATOM 254 CB LYS A 18 -10.832 17.340 12.303 1.00 0.00 C ATOM 255 CG LYS A 18 -12.236 16.695 12.228 1.00 0.00 C ATOM 256 CD LYS A 18 -13.274 17.480 11.400 1.00 0.00 C ATOM 257 CE LYS A 18 -13.003 17.487 9.880 1.00 0.00 C ATOM 258 NZ LYS A 18 -14.096 18.139 9.137 1.00 0.00 N ATOM 0 H LYS A 18 -10.608 16.925 14.853 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.932 15.447 12.534 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.901 18.271 12.866 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -10.509 17.600 11.295 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.137 15.695 11.804 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.618 16.575 13.242 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.261 17.054 11.579 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.302 18.510 11.757 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.066 18.006 9.679 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.882 16.463 9.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.880 18.126 8.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.986 17.629 9.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.194 19.124 9.457 1.00 0.00 H new ATOM 271 N LYS A 19 -7.720 17.860 13.297 1.00 0.00 N ATOM 272 CA LYS A 19 -6.270 18.195 13.208 1.00 0.00 C ATOM 273 C LYS A 19 -5.340 16.992 13.588 1.00 0.00 C ATOM 274 O LYS A 19 -4.340 16.805 12.890 1.00 0.00 O ATOM 275 CB LYS A 19 -5.917 19.434 14.076 1.00 0.00 C ATOM 276 CG LYS A 19 -6.565 20.760 13.612 1.00 0.00 C ATOM 277 CD LYS A 19 -6.151 22.005 14.430 1.00 0.00 C ATOM 278 CE LYS A 19 -6.610 22.058 15.904 1.00 0.00 C ATOM 279 NZ LYS A 19 -8.072 22.191 16.057 1.00 0.00 N ATOM 0 H LYS A 19 -8.234 18.450 13.951 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.085 18.432 12.160 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.221 19.238 15.104 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.834 19.558 14.082 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.307 20.928 12.566 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.649 20.655 13.660 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.064 22.077 14.411 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.538 22.888 13.922 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.280 21.152 16.413 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.122 22.898 16.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.314 22.221 17.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.391 23.069 15.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.543 21.377 15.612 1.00 0.00 H new ATOM 292 N ASP A 20 -5.646 16.175 14.635 1.00 0.00 N ATOM 293 CA ASP A 20 -4.842 14.945 14.939 1.00 0.00 C ATOM 294 C ASP A 20 -4.977 13.799 13.888 1.00 0.00 C ATOM 295 O ASP A 20 -4.000 13.084 13.666 1.00 0.00 O ATOM 296 CB ASP A 20 -5.142 14.396 16.361 1.00 0.00 C ATOM 297 CG ASP A 20 -4.448 15.173 17.488 1.00 0.00 C ATOM 298 OD1 ASP A 20 -5.029 15.981 18.212 1.00 0.00 O ATOM 299 OD2 ASP A 20 -3.116 14.859 17.590 1.00 0.00 O ATOM 0 H ASP A 20 -6.425 16.336 15.273 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.808 15.285 14.889 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.219 14.418 16.528 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.833 13.352 16.409 1.00 0.00 H new ATOM 305 N ALA A 21 -6.153 13.622 13.262 1.00 0.00 N ATOM 306 CA ALA A 21 -6.378 12.655 12.161 1.00 0.00 C ATOM 307 C ALA A 21 -5.685 13.049 10.821 1.00 0.00 C ATOM 308 O ALA A 21 -5.181 12.160 10.135 1.00 0.00 O ATOM 309 CB ALA A 21 -7.894 12.447 12.035 1.00 0.00 C ATOM 0 H ALA A 21 -6.990 14.152 13.506 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.897 11.708 12.406 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.099 11.739 11.232 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.287 12.055 12.973 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.374 13.399 11.810 1.00 0.00 H new ATOM 315 N THR A 22 -5.623 14.353 10.466 1.00 0.00 N ATOM 316 CA THR A 22 -4.851 14.882 9.307 1.00 0.00 C ATOM 317 C THR A 22 -3.321 14.601 9.415 1.00 0.00 C ATOM 318 O THR A 22 -2.698 14.112 8.467 1.00 0.00 O ATOM 319 CB THR A 22 -5.152 16.407 9.163 1.00 0.00 C ATOM 320 OG1 THR A 22 -6.522 16.734 9.360 1.00 0.00 O ATOM 321 CG2 THR A 22 -4.801 16.903 7.769 1.00 0.00 C ATOM 0 H THR A 22 -6.114 15.083 10.982 1.00 0.00 H new ATOM 0 HA THR A 22 -5.173 14.356 8.408 1.00 0.00 H new ATOM 0 HB THR A 22 -4.545 16.880 9.935 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.720 16.751 10.320 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.020 17.968 7.696 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.740 16.737 7.580 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.390 16.360 7.030 1.00 0.00 H new ATOM 329 N LYS A 23 -2.753 14.915 10.589 1.00 0.00 N ATOM 330 CA LYS A 23 -1.361 14.570 10.966 1.00 0.00 C ATOM 331 C LYS A 23 -1.045 13.052 10.922 1.00 0.00 C ATOM 332 O LYS A 23 -0.064 12.651 10.308 1.00 0.00 O ATOM 333 CB LYS A 23 -1.161 15.017 12.442 1.00 0.00 C ATOM 334 CG LYS A 23 -1.033 16.537 12.682 1.00 0.00 C ATOM 335 CD LYS A 23 -0.948 16.881 14.181 1.00 0.00 C ATOM 336 CE LYS A 23 -0.910 18.396 14.446 1.00 0.00 C ATOM 337 NZ LYS A 23 -0.831 18.682 15.889 1.00 0.00 N ATOM 0 H LYS A 23 -3.250 15.424 11.320 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.707 15.064 10.247 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.002 14.647 13.029 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.264 14.532 12.828 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.144 16.910 12.174 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.890 17.047 12.241 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.805 16.448 14.697 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.055 16.421 14.604 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.052 18.835 13.938 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.802 18.864 14.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.807 19.711 16.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.663 18.282 16.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.033 18.255 16.281 1.00 0.00 H new ATOM 350 N ALA A 24 -1.881 12.260 11.603 1.00 0.00 N ATOM 351 CA ALA A 24 -1.801 10.787 11.685 1.00 0.00 C ATOM 352 C ALA A 24 -1.899 9.982 10.364 1.00 0.00 C ATOM 353 O ALA A 24 -1.378 8.876 10.256 1.00 0.00 O ATOM 354 CB ALA A 24 -2.876 10.376 12.675 1.00 0.00 C ATOM 0 H ALA A 24 -2.665 12.637 12.135 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.788 10.533 11.999 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.874 9.292 12.785 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.677 10.839 13.641 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.850 10.702 12.310 1.00 0.00 H new ATOM 360 N VAL A 25 -2.566 10.546 9.365 1.00 0.00 N ATOM 361 CA VAL A 25 -2.517 10.101 7.953 1.00 0.00 C ATOM 362 C VAL A 25 -1.096 10.417 7.396 1.00 0.00 C ATOM 363 O VAL A 25 -0.408 9.479 6.996 1.00 0.00 O ATOM 364 CB VAL A 25 -3.688 10.931 7.308 1.00 0.00 C ATOM 365 CG1 VAL A 25 -3.487 11.275 5.817 1.00 0.00 C ATOM 366 CG2 VAL A 25 -5.018 10.212 7.530 1.00 0.00 C ATOM 0 H VAL A 25 -3.178 11.350 9.505 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.656 9.037 7.761 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.693 11.894 7.819 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.342 11.847 5.457 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.579 11.866 5.699 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.398 10.355 5.240 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.824 10.792 7.081 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.980 9.225 7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.200 10.105 8.599 1.00 0.00 H new ATOM 376 N ASP A 26 -0.646 11.696 7.406 1.00 0.00 N ATOM 377 CA ASP A 26 0.769 12.046 7.034 1.00 0.00 C ATOM 378 C ASP A 26 1.845 11.788 8.162 1.00 0.00 C ATOM 379 O ASP A 26 2.794 12.535 8.414 1.00 0.00 O ATOM 380 CB ASP A 26 0.743 13.510 6.558 1.00 0.00 C ATOM 381 CG ASP A 26 1.957 13.942 5.721 1.00 0.00 C ATOM 382 OD1 ASP A 26 2.876 14.630 6.163 1.00 0.00 O ATOM 383 OD2 ASP A 26 1.897 13.464 4.436 1.00 0.00 O ATOM 0 H ASP A 26 -1.222 12.498 7.661 1.00 0.00 H new ATOM 0 HA ASP A 26 1.104 11.374 6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.160 13.669 5.969 1.00 0.00 H new ATOM 0 HB3 ASP A 26 0.673 14.159 7.431 1.00 0.00 H new ATOM 389 N ALA A 27 1.587 10.680 8.835 1.00 0.00 N ATOM 390 CA ALA A 27 2.394 10.024 9.869 1.00 0.00 C ATOM 391 C ALA A 27 2.692 8.569 9.420 1.00 0.00 C ATOM 392 O ALA A 27 3.853 8.166 9.322 1.00 0.00 O ATOM 393 CB ALA A 27 1.636 10.083 11.176 1.00 0.00 C ATOM 0 H ALA A 27 0.726 10.161 8.660 1.00 0.00 H new ATOM 0 HA ALA A 27 3.350 10.526 10.014 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.221 9.599 11.958 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.458 11.124 11.447 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.681 9.568 11.067 1.00 0.00 H new ATOM 399 N VAL A 28 1.612 7.806 9.140 1.00 0.00 N ATOM 400 CA VAL A 28 1.649 6.462 8.502 1.00 0.00 C ATOM 401 C VAL A 28 2.259 6.605 7.080 1.00 0.00 C ATOM 402 O VAL A 28 3.320 6.057 6.790 1.00 0.00 O ATOM 403 CB VAL A 28 0.183 5.897 8.405 1.00 0.00 C ATOM 404 CG1 VAL A 28 0.070 4.485 7.832 1.00 0.00 C ATOM 405 CG2 VAL A 28 -0.534 5.795 9.729 1.00 0.00 C ATOM 0 H VAL A 28 0.663 8.112 9.355 1.00 0.00 H new ATOM 0 HA VAL A 28 2.256 5.776 9.093 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.265 6.639 7.744 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.978 4.186 7.806 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.477 4.469 6.821 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.630 3.792 8.460 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.536 5.397 9.570 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.020 5.130 10.392 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.604 6.784 10.182 1.00 0.00 H new ATOM 415 N PHE A 29 1.554 7.394 6.254 1.00 0.00 N ATOM 416 CA PHE A 29 1.919 7.701 4.842 1.00 0.00 C ATOM 417 C PHE A 29 3.211 8.543 4.682 1.00 0.00 C ATOM 418 O PHE A 29 3.829 8.432 3.625 1.00 0.00 O ATOM 419 CB PHE A 29 0.688 8.206 4.023 1.00 0.00 C ATOM 420 CG PHE A 29 -0.551 7.288 4.123 1.00 0.00 C ATOM 421 CD1 PHE A 29 -0.446 5.923 3.819 1.00 0.00 C ATOM 422 CD2 PHE A 29 -1.700 7.752 4.768 1.00 0.00 C ATOM 423 CE1 PHE A 29 -1.426 5.032 4.230 1.00 0.00 C ATOM 424 CE2 PHE A 29 -2.671 6.859 5.201 1.00 0.00 C ATOM 425 CZ PHE A 29 -2.516 5.498 4.952 1.00 0.00 C ATOM 0 H PHE A 29 0.691 7.853 6.547 1.00 0.00 H new ATOM 0 HA PHE A 29 2.205 6.754 4.383 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.418 9.203 4.370 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.975 8.300 2.976 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.405 5.563 3.260 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.834 8.811 4.931 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.342 3.982 3.990 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.542 7.218 5.728 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.250 4.799 5.324 1.00 0.00 H new ATOM 435 N ASP A 30 3.665 9.327 5.690 1.00 0.00 N ATOM 436 CA ASP A 30 5.037 9.919 5.665 1.00 0.00 C ATOM 437 C ASP A 30 6.148 8.840 5.864 1.00 0.00 C ATOM 438 O ASP A 30 7.172 8.879 5.183 1.00 0.00 O ATOM 439 CB ASP A 30 5.151 11.022 6.736 1.00 0.00 C ATOM 440 CG ASP A 30 6.269 12.041 6.474 1.00 0.00 C ATOM 441 OD1 ASP A 30 6.130 13.019 5.741 1.00 0.00 O ATOM 442 OD2 ASP A 30 7.424 11.734 7.146 1.00 0.00 O ATOM 0 H ASP A 30 3.118 9.564 6.518 1.00 0.00 H new ATOM 0 HA ASP A 30 5.193 10.356 4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.200 11.551 6.799 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.321 10.555 7.706 1.00 0.00 H new ATOM 448 N SER A 31 5.925 7.900 6.803 1.00 0.00 N ATOM 449 CA SER A 31 6.824 6.739 7.035 1.00 0.00 C ATOM 450 C SER A 31 6.833 5.689 5.885 1.00 0.00 C ATOM 451 O SER A 31 7.895 5.097 5.677 1.00 0.00 O ATOM 452 CB SER A 31 6.516 6.023 8.350 1.00 0.00 C ATOM 453 OG SER A 31 6.515 6.913 9.458 1.00 0.00 O ATOM 0 H SER A 31 5.117 7.919 7.426 1.00 0.00 H new ATOM 0 HA SER A 31 7.817 7.187 7.078 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.544 5.535 8.277 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.255 5.239 8.517 1.00 0.00 H new ATOM 0 HG SER A 31 5.652 7.374 9.506 1.00 0.00 H new ATOM 459 N ILE A 32 5.710 5.418 5.156 1.00 0.00 N ATOM 460 CA ILE A 32 5.738 4.649 3.898 1.00 0.00 C ATOM 461 C ILE A 32 6.661 5.426 2.885 1.00 0.00 C ATOM 462 O ILE A 32 7.507 4.783 2.270 1.00 0.00 O ATOM 463 CB ILE A 32 4.342 4.449 3.186 1.00 0.00 C ATOM 464 CG1 ILE A 32 3.127 3.618 3.689 1.00 0.00 C ATOM 465 CG2 ILE A 32 4.679 3.746 1.831 1.00 0.00 C ATOM 466 CD1 ILE A 32 2.367 3.749 5.013 1.00 0.00 C ATOM 0 H ILE A 32 4.777 5.727 5.429 1.00 0.00 H new ATOM 0 HA ILE A 32 6.093 3.654 4.168 1.00 0.00 H new ATOM 0 HB ILE A 32 3.965 5.466 3.296 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.368 3.732 2.915 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.462 2.581 3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.759 3.571 1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.342 4.383 1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.171 2.794 2.028 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.566 3.010 5.048 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.052 3.581 5.844 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.941 4.749 5.091 1.00 0.00 H new ATOM 478 N THR A 33 6.411 6.718 2.597 1.00 0.00 N ATOM 479 CA THR A 33 7.239 7.484 1.618 1.00 0.00 C ATOM 480 C THR A 33 8.756 7.497 1.938 1.00 0.00 C ATOM 481 O THR A 33 9.562 7.415 1.020 1.00 0.00 O ATOM 482 CB THR A 33 6.711 8.906 1.347 1.00 0.00 C ATOM 483 OG1 THR A 33 6.856 9.751 2.484 1.00 0.00 O ATOM 484 CG2 THR A 33 5.249 8.938 0.890 1.00 0.00 C ATOM 0 H THR A 33 5.654 7.257 3.018 1.00 0.00 H new ATOM 0 HA THR A 33 7.129 6.919 0.692 1.00 0.00 H new ATOM 0 HB THR A 33 7.328 9.279 0.529 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.946 9.202 3.291 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.944 9.970 0.718 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.144 8.370 -0.034 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.617 8.497 1.661 1.00 0.00 H new ATOM 492 N GLU A 34 9.105 7.547 3.232 1.00 0.00 N ATOM 493 CA GLU A 34 10.483 7.320 3.718 1.00 0.00 C ATOM 494 C GLU A 34 10.924 5.839 3.559 1.00 0.00 C ATOM 495 O GLU A 34 12.116 5.625 3.337 1.00 0.00 O ATOM 496 CB GLU A 34 10.612 7.764 5.199 1.00 0.00 C ATOM 497 CG GLU A 34 10.528 9.284 5.449 1.00 0.00 C ATOM 498 CD GLU A 34 10.439 9.618 6.940 1.00 0.00 C ATOM 499 OE1 GLU A 34 9.392 9.556 7.584 1.00 0.00 O ATOM 500 OE2 GLU A 34 11.653 9.979 7.467 1.00 0.00 O ATOM 0 H GLU A 34 8.439 7.747 3.978 1.00 0.00 H new ATOM 0 HA GLU A 34 11.148 7.925 3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.827 7.275 5.776 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.564 7.402 5.586 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.404 9.770 5.021 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.656 9.688 4.935 1.00 0.00 H new ATOM 508 N ALA A 35 10.025 4.824 3.648 1.00 0.00 N ATOM 509 CA ALA A 35 10.368 3.435 3.295 1.00 0.00 C ATOM 510 C ALA A 35 10.666 3.297 1.792 1.00 0.00 C ATOM 511 O ALA A 35 11.818 3.044 1.442 1.00 0.00 O ATOM 512 CB ALA A 35 9.254 2.444 3.715 1.00 0.00 C ATOM 0 H ALA A 35 9.062 4.948 3.961 1.00 0.00 H new ATOM 0 HA ALA A 35 11.271 3.181 3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.545 1.431 3.437 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.108 2.497 4.794 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.324 2.706 3.210 1.00 0.00 H new ATOM 518 N LEU A 36 9.693 3.531 0.896 1.00 0.00 N ATOM 519 CA LEU A 36 9.900 3.349 -0.552 1.00 0.00 C ATOM 520 C LEU A 36 10.927 4.296 -1.161 1.00 0.00 C ATOM 521 O LEU A 36 11.755 3.817 -1.941 1.00 0.00 O ATOM 522 CB LEU A 36 8.533 3.423 -1.223 1.00 0.00 C ATOM 523 CG LEU A 36 7.585 2.178 -0.919 1.00 0.00 C ATOM 524 CD1 LEU A 36 8.144 0.996 -0.067 1.00 0.00 C ATOM 525 CD2 LEU A 36 6.087 2.065 -0.644 1.00 0.00 C ATOM 0 H LEU A 36 8.756 3.846 1.148 1.00 0.00 H new ATOM 0 HA LEU A 36 10.348 2.371 -0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.031 4.335 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.674 3.503 -2.301 1.00 0.00 H new ATOM 0 HG LEU A 36 7.642 2.280 -2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.374 0.233 0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.011 0.565 -0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.438 1.363 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.825 1.019 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.836 2.644 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.530 2.451 -1.498 1.00 0.00 H new ATOM 537 N ARG A 37 10.938 5.599 -0.795 1.00 0.00 N ATOM 538 CA ARG A 37 11.979 6.489 -1.327 1.00 0.00 C ATOM 539 C ARG A 37 13.427 6.101 -0.873 1.00 0.00 C ATOM 540 O ARG A 37 14.353 6.323 -1.659 1.00 0.00 O ATOM 541 CB ARG A 37 11.695 8.001 -1.123 1.00 0.00 C ATOM 542 CG ARG A 37 12.222 8.636 0.193 1.00 0.00 C ATOM 543 CD ARG A 37 11.543 9.962 0.519 1.00 0.00 C ATOM 544 NE ARG A 37 12.123 10.605 1.722 1.00 0.00 N ATOM 545 CZ ARG A 37 11.505 11.547 2.460 1.00 0.00 C ATOM 546 NH1 ARG A 37 10.273 11.995 2.218 1.00 0.00 N ATOM 547 NH2 ARG A 37 12.160 12.062 3.484 1.00 0.00 N ATOM 0 H ARG A 37 10.268 6.036 -0.162 1.00 0.00 H new ATOM 0 HA ARG A 37 11.934 6.323 -2.403 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.129 8.545 -1.962 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.617 8.154 -1.167 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.064 7.939 1.016 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.297 8.794 0.110 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.637 10.636 -0.333 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.478 9.794 0.676 1.00 0.00 H new ATOM 0 HE ARG A 37 13.057 10.313 2.012 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.739 11.621 1.433 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.864 12.711 2.818 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.106 11.745 3.696 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.720 12.777 4.063 1.00 0.00 H new ATOM 560 N LYS A 38 13.617 5.566 0.371 1.00 0.00 N ATOM 561 CA LYS A 38 14.985 5.292 0.887 1.00 0.00 C ATOM 562 C LYS A 38 15.530 3.838 0.622 1.00 0.00 C ATOM 563 O LYS A 38 16.597 3.490 1.136 1.00 0.00 O ATOM 564 CB LYS A 38 14.988 5.651 2.403 1.00 0.00 C ATOM 565 CG LYS A 38 16.365 5.942 3.047 1.00 0.00 C ATOM 566 CD LYS A 38 16.297 6.419 4.514 1.00 0.00 C ATOM 567 CE LYS A 38 15.843 5.341 5.520 1.00 0.00 C ATOM 568 NZ LYS A 38 15.850 5.854 6.901 1.00 0.00 N ATOM 0 H LYS A 38 12.863 5.324 1.014 1.00 0.00 H new ATOM 0 HA LYS A 38 15.684 5.913 0.327 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.354 6.526 2.546 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.525 4.829 2.948 1.00 0.00 H new ATOM 0 HG2 LYS A 38 16.972 5.038 3.000 1.00 0.00 H new ATOM 0 HG3 LYS A 38 16.876 6.701 2.455 1.00 0.00 H new ATOM 0 HD2 LYS A 38 17.281 6.782 4.810 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.613 7.266 4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.840 5.001 5.262 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.501 4.475 5.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.540 5.104 7.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.812 6.156 7.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.203 6.665 6.973 1.00 0.00 H new ATOM 581 N GLY A 39 14.841 2.988 -0.172 1.00 0.00 N ATOM 582 CA GLY A 39 15.192 1.546 -0.312 1.00 0.00 C ATOM 583 C GLY A 39 14.866 0.704 0.957 1.00 0.00 C ATOM 584 O GLY A 39 15.708 -0.058 1.438 1.00 0.00 O ATOM 0 H GLY A 39 14.035 3.272 -0.730 1.00 0.00 H new ATOM 0 HA2 GLY A 39 14.654 1.130 -1.163 1.00 0.00 H new ATOM 0 HA3 GLY A 39 16.256 1.458 -0.534 1.00 0.00 H new ATOM 588 N ASP A 40 13.636 0.874 1.469 1.00 0.00 N ATOM 589 CA ASP A 40 13.150 0.284 2.744 1.00 0.00 C ATOM 590 C ASP A 40 11.730 -0.317 2.573 1.00 0.00 C ATOM 591 O ASP A 40 10.901 0.152 1.785 1.00 0.00 O ATOM 592 CB ASP A 40 13.319 1.304 3.906 1.00 0.00 C ATOM 593 CG ASP A 40 14.731 1.369 4.506 1.00 0.00 C ATOM 594 OD1 ASP A 40 15.606 2.131 4.095 1.00 0.00 O ATOM 595 OD2 ASP A 40 14.898 0.482 5.539 1.00 0.00 O ATOM 0 H ASP A 40 12.927 1.439 1.001 1.00 0.00 H new ATOM 0 HA ASP A 40 13.766 -0.570 3.027 1.00 0.00 H new ATOM 0 HB2 ASP A 40 13.048 2.295 3.543 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.614 1.051 4.698 1.00 0.00 H new ATOM 601 N LYS A 41 11.488 -1.407 3.327 1.00 0.00 N ATOM 602 CA LYS A 41 10.217 -2.167 3.283 1.00 0.00 C ATOM 603 C LYS A 41 9.322 -1.733 4.468 1.00 0.00 C ATOM 604 O LYS A 41 9.745 -1.646 5.627 1.00 0.00 O ATOM 605 CB LYS A 41 10.412 -3.705 3.388 1.00 0.00 C ATOM 606 CG LYS A 41 11.431 -4.339 2.413 1.00 0.00 C ATOM 607 CD LYS A 41 11.465 -5.876 2.501 1.00 0.00 C ATOM 608 CE LYS A 41 12.498 -6.498 1.544 1.00 0.00 C ATOM 609 NZ LYS A 41 12.473 -7.970 1.606 1.00 0.00 N ATOM 0 H LYS A 41 12.167 -1.788 3.986 1.00 0.00 H new ATOM 0 HA LYS A 41 9.764 -1.947 2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.722 -3.941 4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.445 -4.183 3.230 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.184 -4.043 1.393 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.425 -3.945 2.627 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.697 -6.173 3.524 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.476 -6.272 2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.293 -6.172 0.524 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.495 -6.139 1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.181 -8.357 0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.692 -8.280 2.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.528 -8.313 1.338 1.00 0.00 H new ATOM 622 N VAL A 42 8.046 -1.553 4.144 1.00 0.00 N ATOM 623 CA VAL A 42 6.978 -1.198 5.064 1.00 0.00 C ATOM 624 C VAL A 42 6.334 -2.519 5.507 1.00 0.00 C ATOM 625 O VAL A 42 6.193 -3.492 4.752 1.00 0.00 O ATOM 626 CB VAL A 42 5.941 -0.393 4.250 1.00 0.00 C ATOM 627 CG1 VAL A 42 4.885 0.249 5.113 1.00 0.00 C ATOM 628 CG2 VAL A 42 6.505 0.804 3.505 1.00 0.00 C ATOM 0 H VAL A 42 7.715 -1.656 3.185 1.00 0.00 H new ATOM 0 HA VAL A 42 7.329 -0.624 5.921 1.00 0.00 H new ATOM 0 HB VAL A 42 5.562 -1.161 3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.186 0.800 4.484 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.347 -0.522 5.664 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.357 0.934 5.817 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.703 1.306 2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.952 1.498 4.217 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.265 0.468 2.800 1.00 0.00 H new ATOM 638 N GLN A 43 5.912 -2.474 6.759 1.00 0.00 N ATOM 639 CA GLN A 43 5.278 -3.645 7.411 1.00 0.00 C ATOM 640 C GLN A 43 4.023 -3.250 8.243 1.00 0.00 C ATOM 641 O GLN A 43 4.079 -2.421 9.151 1.00 0.00 O ATOM 642 CB GLN A 43 6.302 -4.663 7.992 1.00 0.00 C ATOM 643 CG GLN A 43 7.377 -5.203 7.018 1.00 0.00 C ATOM 644 CD GLN A 43 8.282 -6.332 7.532 1.00 0.00 C ATOM 645 OE1 GLN A 43 8.238 -6.759 8.687 1.00 0.00 O ATOM 646 NE2 GLN A 43 9.145 -6.826 6.657 1.00 0.00 N ATOM 0 H GLN A 43 5.989 -1.651 7.356 1.00 0.00 H new ATOM 0 HA GLN A 43 4.823 -4.279 6.649 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.811 -4.191 8.832 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.748 -5.512 8.391 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.872 -5.557 6.119 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.013 -4.369 6.719 1.00 0.00 H new ATOM 0 HE21 GLN A 43 9.170 -6.463 5.704 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.785 -7.570 6.936 1.00 0.00 H new ATOM 655 N LEU A 44 2.875 -3.834 7.846 1.00 0.00 N ATOM 656 CA LEU A 44 1.565 -3.747 8.538 1.00 0.00 C ATOM 657 C LEU A 44 1.048 -5.210 8.427 1.00 0.00 C ATOM 658 O LEU A 44 0.748 -5.683 7.322 1.00 0.00 O ATOM 659 CB LEU A 44 0.532 -2.797 7.862 1.00 0.00 C ATOM 660 CG LEU A 44 0.801 -1.272 7.959 1.00 0.00 C ATOM 661 CD1 LEU A 44 0.227 -0.531 6.736 1.00 0.00 C ATOM 662 CD2 LEU A 44 0.214 -0.675 9.253 1.00 0.00 C ATOM 0 H LEU A 44 2.829 -4.403 7.001 1.00 0.00 H new ATOM 0 HA LEU A 44 1.682 -3.344 9.544 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.469 -3.062 6.807 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.446 -2.996 8.299 1.00 0.00 H new ATOM 0 HG LEU A 44 1.883 -1.138 7.978 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.429 0.536 6.829 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.695 -0.911 5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.850 -0.693 6.685 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.421 0.395 9.287 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.864 -0.836 9.272 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.669 -1.160 10.117 1.00 0.00 H new ATOM 674 N ILE A 45 0.944 -5.944 9.553 1.00 0.00 N ATOM 675 CA ILE A 45 0.501 -7.367 9.543 1.00 0.00 C ATOM 676 C ILE A 45 -1.031 -7.474 9.264 1.00 0.00 C ATOM 677 O ILE A 45 -1.850 -6.684 9.748 1.00 0.00 O ATOM 678 CB ILE A 45 1.037 -8.149 10.789 1.00 0.00 C ATOM 679 CG1 ILE A 45 1.025 -9.701 10.652 1.00 0.00 C ATOM 680 CG2 ILE A 45 0.305 -7.749 12.081 1.00 0.00 C ATOM 681 CD1 ILE A 45 1.960 -10.280 9.578 1.00 0.00 C ATOM 0 H ILE A 45 1.158 -5.583 10.482 1.00 0.00 H new ATOM 0 HA ILE A 45 0.961 -7.888 8.703 1.00 0.00 H new ATOM 0 HB ILE A 45 2.084 -7.849 10.844 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.294 -10.135 11.615 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.006 -10.021 10.432 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.710 -8.316 12.919 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.445 -6.683 12.263 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.759 -7.963 11.978 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.873 -11.366 9.567 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.681 -9.884 8.601 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.989 -10.000 9.803 1.00 0.00 H new ATOM 693 N GLY A 46 -1.362 -8.464 8.433 1.00 0.00 N ATOM 694 CA GLY A 46 -2.742 -8.692 7.947 1.00 0.00 C ATOM 695 C GLY A 46 -3.401 -7.638 7.004 1.00 0.00 C ATOM 696 O GLY A 46 -4.622 -7.679 6.828 1.00 0.00 O ATOM 0 H GLY A 46 -0.686 -9.137 8.072 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.752 -9.650 7.427 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.384 -8.797 8.821 1.00 0.00 H new ATOM 700 N PHE A 47 -2.620 -6.718 6.400 1.00 0.00 N ATOM 701 CA PHE A 47 -3.138 -5.617 5.567 1.00 0.00 C ATOM 702 C PHE A 47 -2.123 -5.020 4.547 1.00 0.00 C ATOM 703 O PHE A 47 -2.520 -4.843 3.396 1.00 0.00 O ATOM 704 CB PHE A 47 -3.616 -4.472 6.512 1.00 0.00 C ATOM 705 CG PHE A 47 -4.665 -3.563 5.843 1.00 0.00 C ATOM 706 CD1 PHE A 47 -4.320 -2.651 4.832 1.00 0.00 C ATOM 707 CD2 PHE A 47 -6.013 -3.775 6.136 1.00 0.00 C ATOM 708 CE1 PHE A 47 -5.312 -2.051 4.060 1.00 0.00 C ATOM 709 CE2 PHE A 47 -6.994 -3.124 5.404 1.00 0.00 C ATOM 710 CZ PHE A 47 -6.651 -2.301 4.339 1.00 0.00 C ATOM 0 H PHE A 47 -1.603 -6.720 6.479 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.943 -6.046 4.970 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.038 -4.905 7.419 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.758 -3.872 6.815 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.282 -2.414 4.653 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.292 -4.447 6.934 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.042 -1.393 3.247 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.034 -3.258 5.664 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.423 -1.856 3.729 1.00 0.00 H new ATOM 720 N GLY A 48 -0.896 -4.625 4.948 1.00 0.00 N ATOM 721 CA GLY A 48 -0.008 -3.822 4.080 1.00 0.00 C ATOM 722 C GLY A 48 1.498 -4.016 4.244 1.00 0.00 C ATOM 723 O GLY A 48 2.146 -3.253 4.966 1.00 0.00 O ATOM 0 H GLY A 48 -0.499 -4.847 5.861 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.265 -4.039 3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.233 -2.769 4.250 1.00 0.00 H new ATOM 727 N ASN A 49 2.056 -4.999 3.519 1.00 0.00 N ATOM 728 CA ASN A 49 3.527 -5.186 3.446 1.00 0.00 C ATOM 729 C ASN A 49 3.951 -4.544 2.090 1.00 0.00 C ATOM 730 O ASN A 49 3.960 -5.203 1.046 1.00 0.00 O ATOM 731 CB ASN A 49 3.909 -6.683 3.636 1.00 0.00 C ATOM 732 CG ASN A 49 5.385 -6.985 3.966 1.00 0.00 C ATOM 733 OD1 ASN A 49 5.700 -7.468 5.052 1.00 0.00 O ATOM 734 ND2 ASN A 49 6.311 -6.756 3.045 1.00 0.00 N ATOM 0 H ASN A 49 1.521 -5.676 2.976 1.00 0.00 H new ATOM 0 HA ASN A 49 4.073 -4.697 4.252 1.00 0.00 H new ATOM 0 HB2 ASN A 49 3.291 -7.093 4.435 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.648 -7.219 2.724 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.287 -6.981 3.237 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.047 -6.355 2.145 1.00 0.00 H new ATOM 741 N PHE A 50 4.258 -3.233 2.106 1.00 0.00 N ATOM 742 CA PHE A 50 4.698 -2.494 0.890 1.00 0.00 C ATOM 743 C PHE A 50 6.215 -2.672 0.709 1.00 0.00 C ATOM 744 O PHE A 50 6.963 -2.784 1.688 1.00 0.00 O ATOM 745 CB PHE A 50 4.512 -0.940 0.905 1.00 0.00 C ATOM 746 CG PHE A 50 3.179 -0.290 1.209 1.00 0.00 C ATOM 747 CD1 PHE A 50 2.624 -0.462 2.478 1.00 0.00 C ATOM 748 CD2 PHE A 50 2.695 0.725 0.372 1.00 0.00 C ATOM 749 CE1 PHE A 50 1.544 0.306 2.882 1.00 0.00 C ATOM 750 CE2 PHE A 50 1.611 1.499 0.782 1.00 0.00 C ATOM 751 CZ PHE A 50 1.035 1.268 2.026 1.00 0.00 C ATOM 0 H PHE A 50 4.212 -2.656 2.946 1.00 0.00 H new ATOM 0 HA PHE A 50 4.066 -2.915 0.108 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.225 -0.546 1.629 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.821 -0.578 -0.076 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.039 -1.199 3.150 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.160 0.906 -0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.103 0.156 3.856 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.221 2.273 0.138 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.176 1.848 2.330 1.00 0.00 H new ATOM 761 N GLU A 51 6.669 -2.631 -0.553 1.00 0.00 N ATOM 762 CA GLU A 51 8.123 -2.591 -0.827 1.00 0.00 C ATOM 763 C GLU A 51 8.460 -2.162 -2.263 1.00 0.00 C ATOM 764 O GLU A 51 7.678 -2.320 -3.204 1.00 0.00 O ATOM 765 CB GLU A 51 8.882 -3.899 -0.419 1.00 0.00 C ATOM 766 CG GLU A 51 8.454 -5.191 -1.155 1.00 0.00 C ATOM 767 CD GLU A 51 9.186 -6.435 -0.650 1.00 0.00 C ATOM 768 OE1 GLU A 51 10.212 -6.874 -1.168 1.00 0.00 O ATOM 769 OE2 GLU A 51 8.566 -6.996 0.437 1.00 0.00 O ATOM 0 H GLU A 51 6.074 -2.625 -1.382 1.00 0.00 H new ATOM 0 HA GLU A 51 8.498 -1.807 -0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.948 -3.744 -0.588 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.748 -4.054 0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.380 -5.333 -1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.641 -5.074 -2.222 1.00 0.00 H new ATOM 777 N VAL A 52 9.684 -1.638 -2.424 1.00 0.00 N ATOM 778 CA VAL A 52 10.180 -1.111 -3.689 1.00 0.00 C ATOM 779 C VAL A 52 10.855 -2.270 -4.506 1.00 0.00 C ATOM 780 O VAL A 52 11.384 -3.240 -3.948 1.00 0.00 O ATOM 781 CB VAL A 52 11.028 0.121 -3.196 1.00 0.00 C ATOM 782 CG1 VAL A 52 12.529 -0.104 -3.334 1.00 0.00 C ATOM 783 CG2 VAL A 52 10.529 1.419 -3.839 1.00 0.00 C ATOM 0 H VAL A 52 10.361 -1.571 -1.664 1.00 0.00 H new ATOM 0 HA VAL A 52 9.471 -0.753 -4.435 1.00 0.00 H new ATOM 0 HB VAL A 52 10.871 0.229 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.063 0.777 -2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.823 -0.970 -2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.776 -0.281 -4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.130 2.256 -3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.616 1.345 -4.923 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.486 1.581 -3.569 1.00 0.00 H new ATOM 793 N ARG A 53 10.854 -2.116 -5.836 1.00 0.00 N ATOM 794 CA ARG A 53 11.440 -3.112 -6.769 1.00 0.00 C ATOM 795 C ARG A 53 12.494 -2.374 -7.639 1.00 0.00 C ATOM 796 O ARG A 53 12.178 -1.835 -8.704 1.00 0.00 O ATOM 797 CB ARG A 53 10.303 -3.769 -7.598 1.00 0.00 C ATOM 798 CG ARG A 53 10.756 -4.966 -8.474 1.00 0.00 C ATOM 799 CD ARG A 53 10.045 -5.105 -9.839 1.00 0.00 C ATOM 800 NE ARG A 53 10.289 -3.974 -10.776 1.00 0.00 N ATOM 801 CZ ARG A 53 11.414 -3.777 -11.493 1.00 0.00 C ATOM 802 NH1 ARG A 53 12.466 -4.592 -11.466 1.00 0.00 N ATOM 803 NH2 ARG A 53 11.475 -2.710 -12.267 1.00 0.00 N ATOM 0 H ARG A 53 10.451 -1.304 -6.304 1.00 0.00 H new ATOM 0 HA ARG A 53 11.944 -3.924 -6.245 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.523 -4.108 -6.916 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.856 -3.012 -8.242 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.828 -4.878 -8.651 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.601 -5.885 -7.909 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.372 -6.031 -10.313 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.972 -5.195 -9.669 1.00 0.00 H new ATOM 0 HE ARG A 53 9.541 -3.289 -10.885 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.451 -5.425 -10.877 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.287 -4.384 -12.034 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.686 -2.065 -12.309 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.311 -2.530 -12.823 1.00 0.00 H new ATOM 1134 N LYS A 75 13.371 2.210 -8.813 1.00 0.00 N ATOM 1135 CA LYS A 75 12.637 1.585 -7.674 1.00 0.00 C ATOM 1136 C LYS A 75 11.115 1.774 -7.914 1.00 0.00 C ATOM 1137 O LYS A 75 10.658 2.895 -8.158 1.00 0.00 O ATOM 1138 CB LYS A 75 13.067 2.040 -6.253 1.00 0.00 C ATOM 1139 CG LYS A 75 14.485 2.630 -6.068 1.00 0.00 C ATOM 1140 CD LYS A 75 14.802 3.026 -4.613 1.00 0.00 C ATOM 1141 CE LYS A 75 16.178 3.705 -4.482 1.00 0.00 C ATOM 1142 NZ LYS A 75 16.468 4.081 -3.088 1.00 0.00 N ATOM 0 HA LYS A 75 12.905 0.529 -7.670 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.350 2.786 -5.912 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.975 1.182 -5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.220 1.900 -6.406 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.591 3.507 -6.706 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.029 3.701 -4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.776 2.137 -3.982 1.00 0.00 H new ATOM 0 HE2 LYS A 75 16.953 3.030 -4.846 1.00 0.00 H new ATOM 0 HE3 LYS A 75 16.207 4.594 -5.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.416 4.505 -3.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.761 4.770 -2.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.431 3.234 -2.485 1.00 0.00 H new ATOM 1155 N VAL A 76 10.335 0.684 -7.816 1.00 0.00 N ATOM 1156 CA VAL A 76 8.940 0.631 -8.236 1.00 0.00 C ATOM 1157 C VAL A 76 8.121 0.222 -6.955 1.00 0.00 C ATOM 1158 O VAL A 76 8.284 -0.894 -6.454 1.00 0.00 O ATOM 1159 CB VAL A 76 9.049 -0.386 -9.416 1.00 0.00 C ATOM 1160 CG1 VAL A 76 7.925 -1.380 -9.483 1.00 0.00 C ATOM 1161 CG2 VAL A 76 9.312 0.285 -10.776 1.00 0.00 C ATOM 0 H VAL A 76 10.672 -0.199 -7.433 1.00 0.00 H new ATOM 0 HA VAL A 76 8.423 1.523 -8.589 1.00 0.00 H new ATOM 0 HB VAL A 76 9.938 -0.970 -9.179 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.080 -2.047 -10.331 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.899 -1.963 -8.562 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.979 -0.852 -9.605 1.00 0.00 H new ATOM 0 HG21 VAL A 76 9.377 -0.478 -11.552 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.496 0.970 -11.008 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.250 0.839 -10.733 1.00 0.00 H new ATOM 1171 N PRO A 77 7.207 1.064 -6.425 1.00 0.00 N ATOM 1172 CA PRO A 77 6.471 0.789 -5.173 1.00 0.00 C ATOM 1173 C PRO A 77 5.244 -0.130 -5.346 1.00 0.00 C ATOM 1174 O PRO A 77 4.430 -0.016 -6.268 1.00 0.00 O ATOM 1175 CB PRO A 77 6.101 2.215 -4.729 1.00 0.00 C ATOM 1176 CG PRO A 77 5.914 2.989 -6.039 1.00 0.00 C ATOM 1177 CD PRO A 77 6.932 2.374 -7.004 1.00 0.00 C ATOM 0 HA PRO A 77 7.055 0.227 -4.444 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.190 2.221 -4.131 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.887 2.656 -4.116 1.00 0.00 H new ATOM 0 HG2 PRO A 77 4.897 2.886 -6.418 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.095 4.055 -5.899 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.528 2.289 -8.013 1.00 0.00 H new ATOM 0 HD3 PRO A 77 7.836 2.980 -7.073 1.00 0.00 H new ATOM 1185 N ALA A 78 5.177 -1.033 -4.372 1.00 0.00 N ATOM 1186 CA ALA A 78 4.167 -2.096 -4.288 1.00 0.00 C ATOM 1187 C ALA A 78 3.492 -2.089 -2.888 1.00 0.00 C ATOM 1188 O ALA A 78 3.921 -1.411 -1.956 1.00 0.00 O ATOM 1189 CB ALA A 78 4.968 -3.375 -4.590 1.00 0.00 C ATOM 0 H ALA A 78 5.839 -1.050 -3.596 1.00 0.00 H new ATOM 0 HA ALA A 78 3.335 -1.986 -4.984 1.00 0.00 H new ATOM 0 HB1 ALA A 78 4.303 -4.238 -4.553 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.411 -3.301 -5.583 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.758 -3.493 -3.848 1.00 0.00 H new ATOM 1195 N PHE A 79 2.407 -2.857 -2.779 1.00 0.00 N ATOM 1196 CA PHE A 79 1.569 -2.991 -1.551 1.00 0.00 C ATOM 1197 C PHE A 79 1.025 -4.450 -1.638 1.00 0.00 C ATOM 1198 O PHE A 79 0.314 -4.848 -2.570 1.00 0.00 O ATOM 1199 CB PHE A 79 0.445 -1.937 -1.521 1.00 0.00 C ATOM 1200 CG PHE A 79 -0.797 -2.220 -0.638 1.00 0.00 C ATOM 1201 CD1 PHE A 79 -0.794 -1.934 0.729 1.00 0.00 C ATOM 1202 CD2 PHE A 79 -1.924 -2.835 -1.206 1.00 0.00 C ATOM 1203 CE1 PHE A 79 -1.894 -2.269 1.517 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -3.012 -3.186 -0.413 1.00 0.00 C ATOM 1205 CZ PHE A 79 -2.991 -2.913 0.949 1.00 0.00 C ATOM 0 H PHE A 79 2.064 -3.425 -3.554 1.00 0.00 H new ATOM 0 HA PHE A 79 2.124 -2.817 -0.629 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.881 -0.994 -1.191 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.100 -1.788 -2.544 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.063 -1.452 1.177 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -1.947 -3.037 -2.267 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.896 -2.029 2.570 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.871 -3.669 -0.855 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.827 -3.201 1.569 1.00 0.00 H new ATOM 1215 N LYS A 80 1.349 -5.194 -0.595 1.00 0.00 N ATOM 1216 CA LYS A 80 0.796 -6.561 -0.348 1.00 0.00 C ATOM 1217 C LYS A 80 -0.500 -6.413 0.486 1.00 0.00 C ATOM 1218 O LYS A 80 -0.468 -5.668 1.470 1.00 0.00 O ATOM 1219 CB LYS A 80 1.784 -7.469 0.426 1.00 0.00 C ATOM 1220 CG LYS A 80 3.023 -7.956 -0.364 1.00 0.00 C ATOM 1221 CD LYS A 80 2.762 -8.989 -1.487 1.00 0.00 C ATOM 1222 CE LYS A 80 2.146 -10.343 -1.070 1.00 0.00 C ATOM 1223 NZ LYS A 80 3.022 -11.142 -0.191 1.00 0.00 N ATOM 0 H LYS A 80 2.005 -4.886 0.123 1.00 0.00 H new ATOM 0 HA LYS A 80 0.607 -7.030 -1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.130 -6.928 1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.239 -8.343 0.783 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.509 -7.087 -0.806 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.729 -8.391 0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.102 -8.529 -2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.709 -9.189 -1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.200 -10.161 -0.559 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.919 -10.921 -1.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.549 -12.036 0.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.916 -11.345 -0.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.220 -10.609 0.680 1.00 0.00 H new ATOM 1236 N PRO A 81 -1.639 -7.107 0.199 1.00 0.00 N ATOM 1237 CA PRO A 81 -2.817 -7.089 1.110 1.00 0.00 C ATOM 1238 C PRO A 81 -2.641 -7.992 2.386 1.00 0.00 C ATOM 1239 O PRO A 81 -3.599 -8.610 2.848 1.00 0.00 O ATOM 1240 CB PRO A 81 -3.908 -7.556 0.127 1.00 0.00 C ATOM 1241 CG PRO A 81 -3.224 -8.512 -0.848 1.00 0.00 C ATOM 1242 CD PRO A 81 -1.838 -7.907 -1.028 1.00 0.00 C ATOM 0 HA PRO A 81 -3.027 -6.130 1.583 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.720 -8.055 0.656 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.345 -6.708 -0.401 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.171 -9.524 -0.447 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.761 -8.572 -1.794 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.075 -8.679 -1.130 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -1.786 -7.287 -1.923 1.00 0.00 H new ATOM 1250 N GLY A 82 -1.415 -8.071 2.955 1.00 0.00 N ATOM 1251 CA GLY A 82 -1.028 -9.009 4.040 1.00 0.00 C ATOM 1252 C GLY A 82 -1.530 -10.474 4.003 1.00 0.00 C ATOM 1253 O GLY A 82 -1.521 -11.102 5.064 1.00 0.00 O ATOM 0 H GLY A 82 -0.645 -7.468 2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.061 -9.039 4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.363 -8.574 4.982 1.00 0.00 H new ATOM 1257 N LYS A 83 -1.961 -10.984 2.816 1.00 0.00 N ATOM 1258 CA LYS A 83 -2.686 -12.293 2.649 1.00 0.00 C ATOM 1259 C LYS A 83 -4.165 -12.299 3.166 1.00 0.00 C ATOM 1260 O LYS A 83 -5.109 -12.705 2.489 1.00 0.00 O ATOM 1261 CB LYS A 83 -1.913 -13.532 3.193 1.00 0.00 C ATOM 1262 CG LYS A 83 -1.177 -14.336 2.103 1.00 0.00 C ATOM 1263 CD LYS A 83 -0.414 -15.551 2.663 1.00 0.00 C ATOM 1264 CE LYS A 83 0.314 -16.347 1.565 1.00 0.00 C ATOM 1265 NZ LYS A 83 1.025 -17.511 2.123 1.00 0.00 N ATOM 0 H LYS A 83 -1.817 -10.497 1.931 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.732 -12.390 1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.189 -13.199 3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.615 -14.190 3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.899 -14.678 1.361 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.476 -13.680 1.587 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.311 -15.211 3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.113 -16.208 3.181 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.407 -16.683 0.819 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.024 -15.697 1.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.505 -18.025 1.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.729 -17.188 2.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.344 -18.143 2.590 1.00 0.00 H new ATOM 1278 N ALA A 84 -4.277 -11.891 4.424 1.00 0.00 N ATOM 1279 CA ALA A 84 -5.502 -11.699 5.216 1.00 0.00 C ATOM 1280 C ALA A 84 -6.562 -10.760 4.609 1.00 0.00 C ATOM 1281 O ALA A 84 -7.736 -11.145 4.590 1.00 0.00 O ATOM 1282 CB ALA A 84 -4.943 -11.077 6.491 1.00 0.00 C ATOM 0 H ALA A 84 -3.446 -11.664 4.970 1.00 0.00 H new ATOM 0 HA ALA A 84 -6.044 -12.639 5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.759 -10.876 7.186 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.235 -11.766 6.952 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.435 -10.143 6.248 1.00 0.00 H new ATOM 1288 N LEU A 85 -6.183 -9.546 4.120 1.00 0.00 N ATOM 1289 CA LEU A 85 -7.109 -8.716 3.329 1.00 0.00 C ATOM 1290 C LEU A 85 -7.545 -9.458 2.019 1.00 0.00 C ATOM 1291 O LEU A 85 -8.727 -9.392 1.689 1.00 0.00 O ATOM 1292 CB LEU A 85 -6.494 -7.312 3.098 1.00 0.00 C ATOM 1293 CG LEU A 85 -7.411 -6.390 2.284 1.00 0.00 C ATOM 1294 CD1 LEU A 85 -8.591 -5.853 3.099 1.00 0.00 C ATOM 1295 CD2 LEU A 85 -6.630 -5.248 1.609 1.00 0.00 C ATOM 0 H LEU A 85 -5.260 -9.135 4.261 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.033 -8.554 3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.284 -6.849 4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -5.541 -7.418 2.580 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.834 -7.011 1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.204 -5.207 2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.194 -6.687 3.459 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.217 -5.282 3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.319 -4.620 1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.133 -4.647 2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.884 -5.667 0.934 1.00 0.00 H new ATOM 1307 N LYS A 86 -6.635 -10.156 1.305 1.00 0.00 N ATOM 1308 CA LYS A 86 -7.000 -11.029 0.147 1.00 0.00 C ATOM 1309 C LYS A 86 -8.102 -12.116 0.437 1.00 0.00 C ATOM 1310 O LYS A 86 -8.791 -12.537 -0.494 1.00 0.00 O ATOM 1311 CB LYS A 86 -5.725 -11.609 -0.522 1.00 0.00 C ATOM 1312 CG LYS A 86 -5.854 -11.834 -2.045 1.00 0.00 C ATOM 1313 CD LYS A 86 -4.514 -12.221 -2.709 1.00 0.00 C ATOM 1314 CE LYS A 86 -4.571 -12.396 -4.239 1.00 0.00 C ATOM 1315 NZ LYS A 86 -4.796 -11.133 -4.970 1.00 0.00 N ATOM 0 H LYS A 86 -5.635 -10.137 1.505 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.497 -10.376 -0.570 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.891 -10.932 -0.336 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.478 -12.558 -0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.586 -12.620 -2.231 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.236 -10.926 -2.511 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.775 -11.455 -2.473 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.161 -13.152 -2.265 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.637 -12.842 -4.580 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.368 -13.097 -4.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.823 -11.324 -5.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.700 -10.715 -4.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.023 -10.469 -4.762 1.00 0.00 H new ATOM 1328 N ASP A 87 -8.279 -12.527 1.712 1.00 0.00 N ATOM 1329 CA ASP A 87 -9.394 -13.370 2.192 1.00 0.00 C ATOM 1330 C ASP A 87 -10.709 -12.552 2.425 1.00 0.00 C ATOM 1331 O ASP A 87 -11.768 -13.013 1.991 1.00 0.00 O ATOM 1332 CB ASP A 87 -8.874 -14.052 3.488 1.00 0.00 C ATOM 1333 CG ASP A 87 -9.065 -15.571 3.497 1.00 0.00 C ATOM 1334 OD1 ASP A 87 -8.190 -16.366 3.155 1.00 0.00 O ATOM 1335 OD2 ASP A 87 -10.317 -15.931 3.923 1.00 0.00 O ATOM 0 H ASP A 87 -7.630 -12.273 2.457 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.677 -14.112 1.445 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.814 -13.826 3.608 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.390 -13.624 4.347 1.00 0.00 H new ATOM 1341 N ALA A 88 -10.653 -11.366 3.095 1.00 0.00 N ATOM 1342 CA ALA A 88 -11.809 -10.414 3.213 1.00 0.00 C ATOM 1343 C ALA A 88 -12.547 -10.067 1.885 1.00 0.00 C ATOM 1344 O ALA A 88 -13.776 -9.983 1.828 1.00 0.00 O ATOM 1345 CB ALA A 88 -11.303 -9.033 3.730 1.00 0.00 C ATOM 0 H ALA A 88 -9.811 -11.039 3.569 1.00 0.00 H new ATOM 0 HA ALA A 88 -12.496 -10.940 3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.145 -8.345 3.814 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -10.838 -9.159 4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -10.572 -8.628 3.030 1.00 0.00 H new ATOM 1351 N VAL A 89 -11.728 -9.859 0.847 1.00 0.00 N ATOM 1352 CA VAL A 89 -12.116 -9.327 -0.461 1.00 0.00 C ATOM 1353 C VAL A 89 -12.331 -10.369 -1.622 1.00 0.00 C ATOM 1354 O VAL A 89 -12.671 -9.954 -2.733 1.00 0.00 O ATOM 1355 CB VAL A 89 -10.886 -8.356 -0.610 1.00 0.00 C ATOM 1356 CG1 VAL A 89 -9.645 -9.047 -1.184 1.00 0.00 C ATOM 1357 CG2 VAL A 89 -11.225 -7.125 -1.402 1.00 0.00 C ATOM 0 H VAL A 89 -10.731 -10.067 0.901 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.109 -8.882 -0.528 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.638 -8.044 0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -8.831 -8.326 -1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.345 -9.862 -0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.875 -9.445 -2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.345 -6.487 -1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.550 -7.414 -2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -12.026 -6.580 -0.903 1.00 0.00 H new ATOM 1367 N LYS A 90 -12.131 -11.685 -1.374 1.00 0.00 N ATOM 1368 CA LYS A 90 -12.165 -12.747 -2.407 1.00 0.00 C ATOM 1369 C LYS A 90 -13.581 -13.016 -2.946 1.00 0.00 C ATOM 1370 O LYS A 90 -13.918 -12.601 -4.056 1.00 0.00 O ATOM 1371 CB LYS A 90 -11.539 -14.036 -1.793 1.00 0.00 C ATOM 1372 CG LYS A 90 -10.640 -14.827 -2.767 1.00 0.00 C ATOM 1373 CD LYS A 90 -9.842 -15.976 -2.112 1.00 0.00 C ATOM 1374 CE LYS A 90 -10.648 -17.273 -1.906 1.00 0.00 C ATOM 1375 NZ LYS A 90 -9.796 -18.357 -1.385 1.00 0.00 N ATOM 0 H LYS A 90 -11.939 -12.043 -0.439 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.588 -12.415 -3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.952 -13.760 -0.917 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.342 -14.687 -1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.262 -15.240 -3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.939 -14.137 -3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.972 -16.197 -2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.468 -15.638 -1.146 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.468 -17.087 -1.213 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.094 -17.581 -2.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.367 -19.217 -1.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.028 -18.549 -2.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.391 -18.071 -0.471 1.00 0.00 H new ATOM 1389 N MET B 1 8.615 -1.895 8.837 1.00 0.00 N ATOM 1390 CA MET B 1 8.146 -1.575 10.192 1.00 0.00 C ATOM 1391 C MET B 1 7.688 -2.900 10.882 1.00 0.00 C ATOM 1392 O MET B 1 8.543 -3.678 11.310 1.00 0.00 O ATOM 1393 CB MET B 1 7.134 -0.386 10.157 1.00 0.00 C ATOM 1394 CG MET B 1 7.698 1.003 9.803 1.00 0.00 C ATOM 1395 SD MET B 1 7.800 1.236 8.012 1.00 0.00 S ATOM 1396 CE MET B 1 6.455 2.406 7.712 1.00 0.00 C ATOM 0 H1 MET B 1 8.748 -1.015 8.299 1.00 0.00 H new ATOM 0 H2 MET B 1 9.519 -2.406 8.894 1.00 0.00 H new ATOM 0 H3 MET B 1 7.911 -2.491 8.358 1.00 0.00 H new ATOM 0 HA MET B 1 8.938 -1.187 10.833 1.00 0.00 H new ATOM 0 HB2 MET B 1 6.352 -0.628 9.437 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.657 -0.319 11.135 1.00 0.00 H new ATOM 0 HG2 MET B 1 7.064 1.776 10.237 1.00 0.00 H new ATOM 0 HG3 MET B 1 8.688 1.119 10.244 1.00 0.00 H new ATOM 0 HE1 MET B 1 6.555 2.827 6.711 1.00 0.00 H new ATOM 0 HE2 MET B 1 5.499 1.890 7.795 1.00 0.00 H new ATOM 0 HE3 MET B 1 6.499 3.208 8.449 1.00 0.00 H new ATOM 1407 N ASN B 2 6.362 -3.134 10.974 1.00 0.00 N ATOM 1408 CA ASN B 2 5.696 -4.396 11.439 1.00 0.00 C ATOM 1409 C ASN B 2 4.153 -4.234 11.593 1.00 0.00 C ATOM 1410 O ASN B 2 3.417 -5.148 11.220 1.00 0.00 O ATOM 1411 CB ASN B 2 6.275 -5.233 12.617 1.00 0.00 C ATOM 1412 CG ASN B 2 6.205 -4.635 14.032 1.00 0.00 C ATOM 1413 OD1 ASN B 2 5.192 -4.776 14.713 1.00 0.00 O ATOM 1414 ND2 ASN B 2 7.266 -4.011 14.516 1.00 0.00 N ATOM 0 H ASN B 2 5.681 -2.419 10.716 1.00 0.00 H new ATOM 0 HA ASN B 2 5.966 -5.028 10.593 1.00 0.00 H new ATOM 0 HB2 ASN B 2 5.755 -6.191 12.633 1.00 0.00 H new ATOM 0 HB3 ASN B 2 7.321 -5.443 12.395 1.00 0.00 H new ATOM 0 HD21 ASN B 2 7.250 -3.640 15.466 1.00 0.00 H new ATOM 0 HD22 ASN B 2 8.100 -3.901 13.939 1.00 0.00 H new ATOM 1421 N LYS B 3 3.734 -3.079 12.142 1.00 0.00 N ATOM 1422 CA LYS B 3 2.341 -2.649 12.490 1.00 0.00 C ATOM 1423 C LYS B 3 2.378 -1.810 13.804 1.00 0.00 C ATOM 1424 O LYS B 3 1.634 -0.837 13.937 1.00 0.00 O ATOM 1425 CB LYS B 3 1.216 -3.723 12.559 1.00 0.00 C ATOM 1426 CG LYS B 3 -0.229 -3.174 12.655 1.00 0.00 C ATOM 1427 CD LYS B 3 -1.304 -4.252 12.433 1.00 0.00 C ATOM 1428 CE LYS B 3 -2.734 -3.685 12.446 1.00 0.00 C ATOM 1429 NZ LYS B 3 -3.725 -4.742 12.180 1.00 0.00 N ATOM 0 H LYS B 3 4.408 -2.351 12.379 1.00 0.00 H new ATOM 0 HA LYS B 3 2.035 -2.067 11.621 1.00 0.00 H new ATOM 0 HB2 LYS B 3 1.287 -4.355 11.674 1.00 0.00 H new ATOM 0 HB3 LYS B 3 1.401 -4.362 13.423 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -0.374 -2.722 13.636 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -0.360 -2.383 11.917 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -1.124 -4.746 11.478 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -1.213 -5.013 13.208 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -2.938 -3.226 13.413 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -2.824 -2.900 11.695 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -4.683 -4.365 12.327 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -3.629 -5.069 11.197 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -3.564 -5.540 12.827 1.00 0.00 H new ATOM 1442 N THR B 4 3.206 -2.223 14.772 1.00 0.00 N ATOM 1443 CA THR B 4 3.474 -1.565 16.031 1.00 0.00 C ATOM 1444 C THR B 4 4.620 -0.525 15.931 1.00 0.00 C ATOM 1445 O THR B 4 4.544 0.507 16.606 1.00 0.00 O ATOM 1446 CB THR B 4 3.828 -2.744 16.956 1.00 0.00 C ATOM 1447 OG1 THR B 4 2.763 -3.689 17.088 1.00 0.00 O ATOM 1448 CG2 THR B 4 4.136 -2.210 18.321 1.00 0.00 C ATOM 0 H THR B 4 3.738 -3.088 14.677 1.00 0.00 H new ATOM 0 HA THR B 4 2.632 -0.974 16.391 1.00 0.00 H new ATOM 0 HB THR B 4 4.681 -3.255 16.509 1.00 0.00 H new ATOM 0 HG1 THR B 4 3.042 -4.416 17.683 1.00 0.00 H new ATOM 0 HG21 THR B 4 4.388 -3.036 18.986 1.00 0.00 H new ATOM 0 HG22 THR B 4 4.979 -1.522 18.261 1.00 0.00 H new ATOM 0 HG23 THR B 4 3.265 -1.683 18.711 1.00 0.00 H new ATOM 1456 N GLU B 5 5.703 -0.802 15.168 1.00 0.00 N ATOM 1457 CA GLU B 5 6.683 0.237 14.808 1.00 0.00 C ATOM 1458 C GLU B 5 5.998 1.417 14.012 1.00 0.00 C ATOM 1459 O GLU B 5 6.535 2.528 13.997 1.00 0.00 O ATOM 1460 CB GLU B 5 7.763 -0.595 14.081 1.00 0.00 C ATOM 1461 CG GLU B 5 8.824 0.169 13.315 1.00 0.00 C ATOM 1462 CD GLU B 5 9.770 1.032 14.155 1.00 0.00 C ATOM 1463 OE1 GLU B 5 9.624 2.244 14.309 1.00 0.00 O ATOM 1464 OE2 GLU B 5 10.786 0.296 14.711 1.00 0.00 O ATOM 0 H GLU B 5 5.915 -1.728 14.795 1.00 0.00 H new ATOM 0 HA GLU B 5 7.133 0.796 15.629 1.00 0.00 H new ATOM 0 HB2 GLU B 5 8.264 -1.219 14.821 1.00 0.00 H new ATOM 0 HB3 GLU B 5 7.261 -1.267 13.385 1.00 0.00 H new ATOM 0 HG2 GLU B 5 9.422 -0.547 12.751 1.00 0.00 H new ATOM 0 HG3 GLU B 5 8.327 0.812 12.589 1.00 0.00 H new ATOM 1472 N LEU B 6 4.804 1.178 13.403 1.00 0.00 N ATOM 1473 CA LEU B 6 3.922 2.207 12.881 1.00 0.00 C ATOM 1474 C LEU B 6 3.234 3.066 13.969 1.00 0.00 C ATOM 1475 O LEU B 6 3.081 4.257 13.758 1.00 0.00 O ATOM 1476 CB LEU B 6 2.829 1.439 12.091 1.00 0.00 C ATOM 1477 CG LEU B 6 2.746 1.896 10.607 1.00 0.00 C ATOM 1478 CD1 LEU B 6 3.088 3.350 10.207 1.00 0.00 C ATOM 1479 CD2 LEU B 6 3.441 0.911 9.650 1.00 0.00 C ATOM 0 H LEU B 6 4.439 0.235 13.269 1.00 0.00 H new ATOM 0 HA LEU B 6 4.507 2.907 12.284 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.039 0.370 12.129 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.862 1.591 12.571 1.00 0.00 H new ATOM 0 HG LEU B 6 1.662 1.886 10.497 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.969 3.469 9.130 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.418 4.037 10.724 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.118 3.571 10.485 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.355 1.276 8.627 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.494 0.826 9.917 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.967 -0.067 9.728 1.00 0.00 H new ATOM 1491 N ILE B 7 2.802 2.480 15.098 1.00 0.00 N ATOM 1492 CA ILE B 7 2.195 3.193 16.268 1.00 0.00 C ATOM 1493 C ILE B 7 3.191 4.239 16.850 1.00 0.00 C ATOM 1494 O ILE B 7 2.806 5.389 17.074 1.00 0.00 O ATOM 1495 CB ILE B 7 1.684 2.152 17.317 1.00 0.00 C ATOM 1496 CG1 ILE B 7 0.700 1.150 16.649 1.00 0.00 C ATOM 1497 CG2 ILE B 7 1.034 2.798 18.561 1.00 0.00 C ATOM 1498 CD1 ILE B 7 0.448 -0.134 17.415 1.00 0.00 C ATOM 0 H ILE B 7 2.860 1.472 15.240 1.00 0.00 H new ATOM 0 HA ILE B 7 1.323 3.763 15.948 1.00 0.00 H new ATOM 0 HB ILE B 7 2.565 1.619 17.675 1.00 0.00 H new ATOM 0 HG12 ILE B 7 -0.255 1.654 16.496 1.00 0.00 H new ATOM 0 HG13 ILE B 7 1.086 0.893 15.663 1.00 0.00 H new ATOM 0 HG21 ILE B 7 0.703 2.017 19.245 1.00 0.00 H new ATOM 0 HG22 ILE B 7 1.762 3.435 19.063 1.00 0.00 H new ATOM 0 HG23 ILE B 7 0.178 3.398 18.254 1.00 0.00 H new ATOM 0 HD11 ILE B 7 -0.252 -0.758 16.859 1.00 0.00 H new ATOM 0 HD12 ILE B 7 1.388 -0.670 17.545 1.00 0.00 H new ATOM 0 HD13 ILE B 7 0.026 0.102 18.392 1.00 0.00 H new ATOM 1510 N ASN B 8 4.463 3.835 17.045 1.00 0.00 N ATOM 1511 CA ASN B 8 5.561 4.794 17.358 1.00 0.00 C ATOM 1512 C ASN B 8 5.864 5.837 16.224 1.00 0.00 C ATOM 1513 O ASN B 8 6.428 6.883 16.542 1.00 0.00 O ATOM 1514 CB ASN B 8 6.861 4.033 17.747 1.00 0.00 C ATOM 1515 CG ASN B 8 6.811 3.221 19.057 1.00 0.00 C ATOM 1516 OD1 ASN B 8 7.040 3.751 20.143 1.00 0.00 O ATOM 1517 ND2 ASN B 8 6.532 1.928 18.984 1.00 0.00 N ATOM 0 H ASN B 8 4.761 2.861 16.993 1.00 0.00 H new ATOM 0 HA ASN B 8 5.198 5.376 18.205 1.00 0.00 H new ATOM 0 HB2 ASN B 8 7.117 3.354 16.933 1.00 0.00 H new ATOM 0 HB3 ASN B 8 7.672 4.758 17.824 1.00 0.00 H new ATOM 0 HD21 ASN B 8 6.506 1.363 19.833 1.00 0.00 H new ATOM 0 HD22 ASN B 8 6.343 1.497 18.079 1.00 0.00 H new ATOM 1524 N ALA B 9 5.504 5.589 14.941 1.00 0.00 N ATOM 1525 CA ALA B 9 5.553 6.621 13.864 1.00 0.00 C ATOM 1526 C ALA B 9 4.555 7.779 14.056 1.00 0.00 C ATOM 1527 O ALA B 9 4.894 8.945 13.877 1.00 0.00 O ATOM 1528 CB ALA B 9 5.153 6.014 12.487 1.00 0.00 C ATOM 0 H ALA B 9 5.174 4.679 14.621 1.00 0.00 H new ATOM 0 HA ALA B 9 6.581 6.982 13.906 1.00 0.00 H new ATOM 0 HB1 ALA B 9 5.198 6.788 11.721 1.00 0.00 H new ATOM 0 HB2 ALA B 9 5.842 5.209 12.230 1.00 0.00 H new ATOM 0 HB3 ALA B 9 4.139 5.619 12.544 1.00 0.00 H new ATOM 1534 N VAL B 10 3.313 7.410 14.383 1.00 0.00 N ATOM 1535 CA VAL B 10 2.156 8.301 14.532 1.00 0.00 C ATOM 1536 C VAL B 10 2.265 9.184 15.741 1.00 0.00 C ATOM 1537 O VAL B 10 2.173 10.409 15.650 1.00 0.00 O ATOM 1538 CB VAL B 10 0.780 7.586 14.438 1.00 0.00 C ATOM 1539 CG1 VAL B 10 -0.232 8.466 13.739 1.00 0.00 C ATOM 1540 CG2 VAL B 10 0.857 6.265 13.690 1.00 0.00 C ATOM 0 H VAL B 10 3.074 6.434 14.560 1.00 0.00 H new ATOM 0 HA VAL B 10 2.190 8.952 13.658 1.00 0.00 H new ATOM 0 HB VAL B 10 0.473 7.387 15.465 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -1.189 7.947 13.683 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -0.355 9.394 14.298 1.00 0.00 H new ATOM 0 HG13 VAL B 10 0.117 8.692 12.731 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -0.132 5.809 13.654 1.00 0.00 H new ATOM 0 HG22 VAL B 10 1.212 6.442 12.675 1.00 0.00 H new ATOM 0 HG23 VAL B 10 1.547 5.596 14.204 1.00 0.00 H new ATOM 1550 N ALA B 11 2.493 8.500 16.858 1.00 0.00 N ATOM 1551 CA ALA B 11 2.751 9.171 18.115 1.00 0.00 C ATOM 1552 C ALA B 11 4.064 10.009 18.171 1.00 0.00 C ATOM 1553 O ALA B 11 4.106 10.960 18.955 1.00 0.00 O ATOM 1554 CB ALA B 11 2.619 8.133 19.230 1.00 0.00 C ATOM 0 H ALA B 11 2.503 7.481 16.912 1.00 0.00 H new ATOM 0 HA ALA B 11 2.003 9.953 18.248 1.00 0.00 H new ATOM 0 HB1 ALA B 11 2.808 8.607 20.193 1.00 0.00 H new ATOM 0 HB2 ALA B 11 1.612 7.717 19.222 1.00 0.00 H new ATOM 0 HB3 ALA B 11 3.343 7.334 19.071 1.00 0.00 H new ATOM 1560 N GLU B 12 5.100 9.698 17.344 1.00 0.00 N ATOM 1561 CA GLU B 12 6.285 10.583 17.198 1.00 0.00 C ATOM 1562 C GLU B 12 5.963 11.803 16.282 1.00 0.00 C ATOM 1563 O GLU B 12 6.226 12.934 16.703 1.00 0.00 O ATOM 1564 CB GLU B 12 7.523 9.765 16.751 1.00 0.00 C ATOM 1565 CG GLU B 12 8.858 10.538 16.718 1.00 0.00 C ATOM 1566 CD GLU B 12 10.026 9.663 16.253 1.00 0.00 C ATOM 1567 OE1 GLU B 12 10.373 9.568 15.076 1.00 0.00 O ATOM 1568 OE2 GLU B 12 10.627 9.003 17.294 1.00 0.00 O ATOM 0 H GLU B 12 5.137 8.852 16.776 1.00 0.00 H new ATOM 0 HA GLU B 12 6.541 11.008 18.168 1.00 0.00 H new ATOM 0 HB2 GLU B 12 7.634 8.913 17.421 1.00 0.00 H new ATOM 0 HB3 GLU B 12 7.331 9.365 15.756 1.00 0.00 H new ATOM 0 HG2 GLU B 12 8.762 11.396 16.052 1.00 0.00 H new ATOM 0 HG3 GLU B 12 9.073 10.929 17.712 1.00 0.00 H new ATOM 1576 N THR B 13 5.395 11.600 15.070 1.00 0.00 N ATOM 1577 CA THR B 13 5.003 12.736 14.169 1.00 0.00 C ATOM 1578 C THR B 13 3.853 13.709 14.578 1.00 0.00 C ATOM 1579 O THR B 13 3.709 14.790 13.998 1.00 0.00 O ATOM 1580 CB THR B 13 4.660 12.222 12.740 1.00 0.00 C ATOM 1581 OG1 THR B 13 3.540 11.365 12.855 1.00 0.00 O ATOM 1582 CG2 THR B 13 5.737 11.474 11.945 1.00 0.00 C ATOM 0 H THR B 13 5.195 10.676 14.687 1.00 0.00 H new ATOM 0 HA THR B 13 5.908 13.338 14.242 1.00 0.00 H new ATOM 0 HB THR B 13 4.503 13.135 12.165 1.00 0.00 H new ATOM 0 HG1 THR B 13 3.830 10.491 13.192 1.00 0.00 H new ATOM 0 HG21 THR B 13 5.337 11.185 10.973 1.00 0.00 H new ATOM 0 HG22 THR B 13 6.601 12.123 11.803 1.00 0.00 H new ATOM 0 HG23 THR B 13 6.039 10.581 12.493 1.00 0.00 H new ATOM 1590 N SER B 14 3.055 13.286 15.547 1.00 0.00 N ATOM 1591 CA SER B 14 1.813 13.990 15.971 1.00 0.00 C ATOM 1592 C SER B 14 1.704 14.331 17.482 1.00 0.00 C ATOM 1593 O SER B 14 1.121 15.371 17.808 1.00 0.00 O ATOM 1594 CB SER B 14 0.573 13.146 15.568 1.00 0.00 C ATOM 1595 OG SER B 14 0.607 12.715 14.210 1.00 0.00 O ATOM 0 H SER B 14 3.238 12.435 16.079 1.00 0.00 H new ATOM 0 HA SER B 14 1.855 14.949 15.455 1.00 0.00 H new ATOM 0 HB2 SER B 14 0.508 12.274 16.218 1.00 0.00 H new ATOM 0 HB3 SER B 14 -0.329 13.735 15.734 1.00 0.00 H new ATOM 0 HG SER B 14 1.092 11.866 14.148 1.00 0.00 H new ATOM 1601 N GLY B 15 2.197 13.469 18.396 1.00 0.00 N ATOM 1602 CA GLY B 15 1.987 13.645 19.855 1.00 0.00 C ATOM 1603 C GLY B 15 0.549 13.397 20.363 1.00 0.00 C ATOM 1604 O GLY B 15 -0.032 14.222 21.072 1.00 0.00 O ATOM 0 H GLY B 15 2.744 12.643 18.153 1.00 0.00 H new ATOM 0 HA2 GLY B 15 2.660 12.970 20.384 1.00 0.00 H new ATOM 0 HA3 GLY B 15 2.277 14.660 20.125 1.00 0.00 H new ATOM 1608 N LEU B 16 0.028 12.222 20.001 1.00 0.00 N ATOM 1609 CA LEU B 16 -1.296 11.707 20.417 1.00 0.00 C ATOM 1610 C LEU B 16 -1.035 10.812 21.672 1.00 0.00 C ATOM 1611 O LEU B 16 -0.496 11.255 22.693 1.00 0.00 O ATOM 1612 CB LEU B 16 -2.176 11.338 19.160 1.00 0.00 C ATOM 1613 CG LEU B 16 -1.482 10.477 18.092 1.00 0.00 C ATOM 1614 CD1 LEU B 16 -0.670 9.332 18.586 1.00 0.00 C ATOM 1615 CD2 LEU B 16 -1.964 10.229 16.649 1.00 0.00 C ATOM 0 H LEU B 16 0.526 11.575 19.390 1.00 0.00 H new ATOM 0 HA LEU B 16 -2.044 12.387 20.825 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -3.066 10.811 19.504 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -2.514 12.262 18.692 1.00 0.00 H new ATOM 0 HG LEU B 16 -0.940 11.396 17.867 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -0.233 8.804 17.739 1.00 0.00 H new ATOM 0 HD12 LEU B 16 0.126 9.702 19.232 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -1.307 8.650 19.149 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -1.258 9.575 16.137 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -2.946 9.757 16.670 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -2.029 11.179 16.119 1.00 0.00 H new ATOM 1627 N SER B 17 -1.452 9.570 21.561 1.00 0.00 N ATOM 1628 CA SER B 17 -1.178 8.474 22.522 1.00 0.00 C ATOM 1629 C SER B 17 -0.719 7.202 21.754 1.00 0.00 C ATOM 1630 O SER B 17 -1.010 7.006 20.577 1.00 0.00 O ATOM 1631 CB SER B 17 -2.408 8.172 23.400 1.00 0.00 C ATOM 1632 OG SER B 17 -2.830 9.316 24.135 1.00 0.00 O ATOM 0 H SER B 17 -2.018 9.262 20.770 1.00 0.00 H new ATOM 0 HA SER B 17 -0.377 8.794 23.188 1.00 0.00 H new ATOM 0 HB2 SER B 17 -3.226 7.823 22.770 1.00 0.00 H new ATOM 0 HB3 SER B 17 -2.171 7.364 24.092 1.00 0.00 H new ATOM 0 HG SER B 17 -3.694 9.625 23.792 1.00 0.00 H new ATOM 1638 N LYS B 18 -0.012 6.287 22.434 1.00 0.00 N ATOM 1639 CA LYS B 18 0.305 4.927 21.886 1.00 0.00 C ATOM 1640 C LYS B 18 -1.013 4.138 21.580 1.00 0.00 C ATOM 1641 O LYS B 18 -1.170 3.628 20.475 1.00 0.00 O ATOM 1642 CB LYS B 18 1.279 4.187 22.849 1.00 0.00 C ATOM 1643 CG LYS B 18 2.242 3.177 22.181 1.00 0.00 C ATOM 1644 CD LYS B 18 3.416 3.795 21.377 1.00 0.00 C ATOM 1645 CE LYS B 18 4.494 4.546 22.188 1.00 0.00 C ATOM 1646 NZ LYS B 18 5.305 3.657 23.042 1.00 0.00 N ATOM 0 H LYS B 18 0.360 6.450 23.370 1.00 0.00 H new ATOM 0 HA LYS B 18 0.822 5.015 20.931 1.00 0.00 H new ATOM 0 HB2 LYS B 18 1.873 4.932 23.379 1.00 0.00 H new ATOM 0 HB3 LYS B 18 0.689 3.658 23.598 1.00 0.00 H new ATOM 0 HG2 LYS B 18 2.657 2.532 22.956 1.00 0.00 H new ATOM 0 HG3 LYS B 18 1.664 2.540 21.512 1.00 0.00 H new ATOM 0 HD2 LYS B 18 3.905 2.996 20.820 1.00 0.00 H new ATOM 0 HD3 LYS B 18 3.000 4.486 20.644 1.00 0.00 H new ATOM 0 HE2 LYS B 18 5.152 5.078 21.500 1.00 0.00 H new ATOM 0 HE3 LYS B 18 4.011 5.298 22.813 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 6.009 4.221 23.560 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 4.686 3.168 23.720 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 5.792 2.955 22.449 1.00 0.00 H new ATOM 1659 N LYS B 19 -1.981 4.144 22.517 1.00 0.00 N ATOM 1660 CA LYS B 19 -3.372 3.662 22.294 1.00 0.00 C ATOM 1661 C LYS B 19 -4.116 4.444 21.159 1.00 0.00 C ATOM 1662 O LYS B 19 -4.785 3.784 20.360 1.00 0.00 O ATOM 1663 CB LYS B 19 -4.203 3.720 23.607 1.00 0.00 C ATOM 1664 CG LYS B 19 -3.718 2.775 24.730 1.00 0.00 C ATOM 1665 CD LYS B 19 -4.558 2.901 26.020 1.00 0.00 C ATOM 1666 CE LYS B 19 -4.068 2.037 27.199 1.00 0.00 C ATOM 1667 NZ LYS B 19 -4.297 0.593 27.002 1.00 0.00 N ATOM 0 H LYS B 19 -1.824 4.487 23.465 1.00 0.00 H new ATOM 0 HA LYS B 19 -3.281 2.625 21.969 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -4.189 4.743 23.983 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -5.240 3.480 23.374 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -3.758 1.745 24.375 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -2.675 2.994 24.958 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -4.565 3.945 26.332 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -5.589 2.630 25.793 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -3.003 2.211 27.349 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -4.575 2.357 28.109 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -3.946 0.070 27.829 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -5.315 0.415 26.887 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -3.792 0.274 26.151 1.00 0.00 H new ATOM 1680 N ASP B 20 -4.007 5.800 21.052 1.00 0.00 N ATOM 1681 CA ASP B 20 -4.610 6.554 19.901 1.00 0.00 C ATOM 1682 C ASP B 20 -3.956 6.265 18.514 1.00 0.00 C ATOM 1683 O ASP B 20 -4.664 6.297 17.509 1.00 0.00 O ATOM 1684 CB ASP B 20 -4.647 8.087 20.158 1.00 0.00 C ATOM 1685 CG ASP B 20 -5.800 8.552 21.061 1.00 0.00 C ATOM 1686 OD1 ASP B 20 -6.987 8.346 20.805 1.00 0.00 O ATOM 1687 OD2 ASP B 20 -5.356 9.236 22.163 1.00 0.00 O ATOM 0 H ASP B 20 -3.520 6.386 21.730 1.00 0.00 H new ATOM 0 HA ASP B 20 -5.629 6.172 19.846 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -3.703 8.390 20.610 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -4.722 8.602 19.200 1.00 0.00 H new ATOM 1693 N ALA B 21 -2.641 5.999 18.456 1.00 0.00 N ATOM 1694 CA ALA B 21 -1.920 5.589 17.228 1.00 0.00 C ATOM 1695 C ALA B 21 -2.224 4.127 16.767 1.00 0.00 C ATOM 1696 O ALA B 21 -2.317 3.892 15.561 1.00 0.00 O ATOM 1697 CB ALA B 21 -0.436 5.888 17.480 1.00 0.00 C ATOM 0 H ALA B 21 -2.033 6.062 19.273 1.00 0.00 H new ATOM 0 HA ALA B 21 -2.272 6.160 16.369 1.00 0.00 H new ATOM 0 HB1 ALA B 21 0.146 5.604 16.603 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -0.307 6.953 17.672 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -0.092 5.319 18.344 1.00 0.00 H new ATOM 1703 N THR B 22 -2.415 3.167 17.705 1.00 0.00 N ATOM 1704 CA THR B 22 -2.898 1.783 17.431 1.00 0.00 C ATOM 1705 C THR B 22 -4.296 1.772 16.751 1.00 0.00 C ATOM 1706 O THR B 22 -4.494 1.134 15.712 1.00 0.00 O ATOM 1707 CB THR B 22 -2.914 0.966 18.765 1.00 0.00 C ATOM 1708 OG1 THR B 22 -1.767 1.181 19.577 1.00 0.00 O ATOM 1709 CG2 THR B 22 -2.985 -0.532 18.497 1.00 0.00 C ATOM 0 H THR B 22 -2.235 3.333 18.695 1.00 0.00 H new ATOM 0 HA THR B 22 -2.210 1.315 16.727 1.00 0.00 H new ATOM 0 HB THR B 22 -3.800 1.322 19.291 1.00 0.00 H new ATOM 0 HG1 THR B 22 -1.851 2.040 20.042 1.00 0.00 H new ATOM 0 HG21 THR B 22 -2.994 -1.071 19.444 1.00 0.00 H new ATOM 0 HG22 THR B 22 -3.894 -0.759 17.941 1.00 0.00 H new ATOM 0 HG23 THR B 22 -2.117 -0.839 17.914 1.00 0.00 H new ATOM 1717 N LYS B 23 -5.230 2.514 17.365 1.00 0.00 N ATOM 1718 CA LYS B 23 -6.569 2.795 16.818 1.00 0.00 C ATOM 1719 C LYS B 23 -6.541 3.456 15.429 1.00 0.00 C ATOM 1720 O LYS B 23 -7.158 2.916 14.528 1.00 0.00 O ATOM 1721 CB LYS B 23 -7.270 3.808 17.769 1.00 0.00 C ATOM 1722 CG LYS B 23 -7.795 3.233 19.101 1.00 0.00 C ATOM 1723 CD LYS B 23 -8.362 4.327 20.027 1.00 0.00 C ATOM 1724 CE LYS B 23 -8.847 3.774 21.378 1.00 0.00 C ATOM 1725 NZ LYS B 23 -9.362 4.851 22.242 1.00 0.00 N ATOM 0 H LYS B 23 -5.073 2.946 18.276 1.00 0.00 H new ATOM 0 HA LYS B 23 -7.082 1.837 16.732 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -6.568 4.610 17.994 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -8.107 4.258 17.235 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -8.571 2.496 18.895 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -6.987 2.710 19.612 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -7.595 5.081 20.203 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -9.191 4.827 19.526 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -9.629 3.033 21.211 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -8.026 3.263 21.880 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -9.682 4.448 23.146 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -8.607 5.544 22.420 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -10.161 5.322 21.771 1.00 0.00 H new ATOM 1738 N ALA B 24 -5.838 4.587 15.300 1.00 0.00 N ATOM 1739 CA ALA B 24 -5.718 5.393 14.073 1.00 0.00 C ATOM 1740 C ALA B 24 -5.212 4.663 12.812 1.00 0.00 C ATOM 1741 O ALA B 24 -5.754 4.889 11.736 1.00 0.00 O ATOM 1742 CB ALA B 24 -4.912 6.622 14.453 1.00 0.00 C ATOM 0 H ALA B 24 -5.314 4.985 16.079 1.00 0.00 H new ATOM 0 HA ALA B 24 -6.717 5.664 13.731 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.789 7.261 13.579 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -5.435 7.173 15.235 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.932 6.316 14.819 1.00 0.00 H new ATOM 1748 N VAL B 25 -4.228 3.765 12.953 1.00 0.00 N ATOM 1749 CA VAL B 25 -3.845 2.765 11.908 1.00 0.00 C ATOM 1750 C VAL B 25 -5.084 1.854 11.591 1.00 0.00 C ATOM 1751 O VAL B 25 -5.507 1.824 10.437 1.00 0.00 O ATOM 1752 CB VAL B 25 -2.647 2.008 12.611 1.00 0.00 C ATOM 1753 CG1 VAL B 25 -2.457 0.545 12.152 1.00 0.00 C ATOM 1754 CG2 VAL B 25 -1.318 2.775 12.478 1.00 0.00 C ATOM 0 H VAL B 25 -3.661 3.699 13.798 1.00 0.00 H new ATOM 0 HA VAL B 25 -3.549 3.167 10.939 1.00 0.00 H new ATOM 0 HB VAL B 25 -2.937 1.970 13.661 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -1.615 0.103 12.684 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -3.361 -0.024 12.367 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -2.261 0.523 11.080 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -0.525 2.217 12.976 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -1.071 2.895 11.423 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -1.417 3.757 12.941 1.00 0.00 H new ATOM 1764 N ASP B 26 -5.673 1.161 12.596 1.00 0.00 N ATOM 1765 CA ASP B 26 -6.970 0.412 12.420 1.00 0.00 C ATOM 1766 C ASP B 26 -8.280 1.306 12.347 1.00 0.00 C ATOM 1767 O ASP B 26 -9.392 0.915 12.707 1.00 0.00 O ATOM 1768 CB ASP B 26 -7.080 -0.601 13.583 1.00 0.00 C ATOM 1769 CG ASP B 26 -6.084 -1.772 13.551 1.00 0.00 C ATOM 1770 OD1 ASP B 26 -6.249 -2.778 12.862 1.00 0.00 O ATOM 1771 OD2 ASP B 26 -5.003 -1.560 14.368 1.00 0.00 O ATOM 0 H ASP B 26 -5.284 1.097 13.537 1.00 0.00 H new ATOM 0 HA ASP B 26 -6.927 -0.069 11.443 1.00 0.00 H new ATOM 0 HB2 ASP B 26 -6.948 -0.063 14.522 1.00 0.00 H new ATOM 0 HB3 ASP B 26 -8.091 -1.009 13.589 1.00 0.00 H new ATOM 1777 N ALA B 27 -8.071 2.535 11.884 1.00 0.00 N ATOM 1778 CA ALA B 27 -9.062 3.600 11.614 1.00 0.00 C ATOM 1779 C ALA B 27 -9.017 3.957 10.107 1.00 0.00 C ATOM 1780 O ALA B 27 -10.060 3.996 9.447 1.00 0.00 O ATOM 1781 CB ALA B 27 -8.849 4.787 12.553 1.00 0.00 C ATOM 0 H ALA B 27 -7.126 2.850 11.666 1.00 0.00 H new ATOM 0 HA ALA B 27 -10.073 3.253 11.826 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -9.588 5.559 12.337 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -8.959 4.458 13.586 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -7.848 5.192 12.406 1.00 0.00 H new ATOM 1787 N VAL B 28 -7.792 4.173 9.572 1.00 0.00 N ATOM 1788 CA VAL B 28 -7.511 4.198 8.117 1.00 0.00 C ATOM 1789 C VAL B 28 -7.886 2.797 7.533 1.00 0.00 C ATOM 1790 O VAL B 28 -8.898 2.652 6.854 1.00 0.00 O ATOM 1791 CB VAL B 28 -5.991 4.484 7.798 1.00 0.00 C ATOM 1792 CG1 VAL B 28 -5.792 4.720 6.305 1.00 0.00 C ATOM 1793 CG2 VAL B 28 -5.342 5.630 8.535 1.00 0.00 C ATOM 0 H VAL B 28 -6.963 4.336 10.144 1.00 0.00 H new ATOM 0 HA VAL B 28 -8.097 5.002 7.671 1.00 0.00 H new ATOM 0 HB VAL B 28 -5.496 3.581 8.154 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -4.739 4.915 6.105 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -6.109 3.836 5.752 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -6.386 5.578 5.990 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -4.301 5.719 8.225 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -5.869 6.556 8.305 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -5.387 5.444 9.608 1.00 0.00 H new ATOM 1803 N PHE B 29 -7.090 1.792 7.932 1.00 0.00 N ATOM 1804 CA PHE B 29 -7.158 0.379 7.484 1.00 0.00 C ATOM 1805 C PHE B 29 -8.386 -0.447 7.984 1.00 0.00 C ATOM 1806 O PHE B 29 -8.366 -1.675 7.885 1.00 0.00 O ATOM 1807 CB PHE B 29 -5.784 -0.300 7.814 1.00 0.00 C ATOM 1808 CG PHE B 29 -4.518 0.409 7.279 1.00 0.00 C ATOM 1809 CD1 PHE B 29 -4.414 0.779 5.932 1.00 0.00 C ATOM 1810 CD2 PHE B 29 -3.533 0.827 8.178 1.00 0.00 C ATOM 1811 CE1 PHE B 29 -3.385 1.610 5.508 1.00 0.00 C ATOM 1812 CE2 PHE B 29 -2.508 1.665 7.757 1.00 0.00 C ATOM 1813 CZ PHE B 29 -2.450 2.069 6.427 1.00 0.00 C ATOM 0 H PHE B 29 -6.342 1.943 8.609 1.00 0.00 H new ATOM 0 HA PHE B 29 -7.334 0.391 6.408 1.00 0.00 H new ATOM 0 HB2 PHE B 29 -5.696 -0.384 8.897 1.00 0.00 H new ATOM 0 HB3 PHE B 29 -5.801 -1.315 7.416 1.00 0.00 H new ATOM 0 HD1 PHE B 29 -5.139 0.416 5.218 1.00 0.00 H new ATOM 0 HD2 PHE B 29 -3.569 0.497 9.206 1.00 0.00 H new ATOM 0 HE1 PHE B 29 -3.312 1.898 4.470 1.00 0.00 H new ATOM 0 HE2 PHE B 29 -1.759 2.001 8.459 1.00 0.00 H new ATOM 0 HZ PHE B 29 -1.671 2.745 6.106 1.00 0.00 H new ATOM 1823 N ASP B 30 -9.436 0.221 8.510 1.00 0.00 N ATOM 1824 CA ASP B 30 -10.776 -0.379 8.762 1.00 0.00 C ATOM 1825 C ASP B 30 -11.825 0.154 7.741 1.00 0.00 C ATOM 1826 O ASP B 30 -12.610 -0.623 7.192 1.00 0.00 O ATOM 1827 CB ASP B 30 -11.209 -0.118 10.220 1.00 0.00 C ATOM 1828 CG ASP B 30 -12.336 -1.032 10.717 1.00 0.00 C ATOM 1829 OD1 ASP B 30 -13.525 -0.718 10.684 1.00 0.00 O ATOM 1830 OD2 ASP B 30 -11.861 -2.227 11.194 1.00 0.00 O ATOM 0 H ASP B 30 -9.382 1.204 8.777 1.00 0.00 H new ATOM 0 HA ASP B 30 -10.712 -1.458 8.620 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -10.344 -0.241 10.871 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -11.532 0.919 10.311 1.00 0.00 H new ATOM 1836 N SER B 31 -11.849 1.477 7.512 1.00 0.00 N ATOM 1837 CA SER B 31 -12.669 2.099 6.432 1.00 0.00 C ATOM 1838 C SER B 31 -12.245 1.698 4.975 1.00 0.00 C ATOM 1839 O SER B 31 -13.108 1.671 4.094 1.00 0.00 O ATOM 1840 CB SER B 31 -12.701 3.632 6.617 1.00 0.00 C ATOM 1841 OG SER B 31 -13.313 3.981 7.854 1.00 0.00 O ATOM 0 H SER B 31 -11.310 2.149 8.058 1.00 0.00 H new ATOM 0 HA SER B 31 -13.676 1.696 6.539 1.00 0.00 H new ATOM 0 HB2 SER B 31 -11.686 4.028 6.584 1.00 0.00 H new ATOM 0 HB3 SER B 31 -13.248 4.091 5.794 1.00 0.00 H new ATOM 0 HG SER B 31 -13.611 4.914 7.820 1.00 0.00 H new ATOM 1847 N ILE B 32 -10.962 1.344 4.723 1.00 0.00 N ATOM 1848 CA ILE B 32 -10.439 0.862 3.420 1.00 0.00 C ATOM 1849 C ILE B 32 -10.959 -0.538 3.124 1.00 0.00 C ATOM 1850 O ILE B 32 -11.579 -0.731 2.097 1.00 0.00 O ATOM 1851 CB ILE B 32 -8.890 0.951 3.377 1.00 0.00 C ATOM 1852 CG1 ILE B 32 -8.489 2.401 3.667 1.00 0.00 C ATOM 1853 CG2 ILE B 32 -8.381 0.461 2.006 1.00 0.00 C ATOM 1854 CD1 ILE B 32 -7.033 2.699 3.875 1.00 0.00 C ATOM 0 H ILE B 32 -10.240 1.387 5.442 1.00 0.00 H new ATOM 0 HA ILE B 32 -10.807 1.512 2.627 1.00 0.00 H new ATOM 0 HB ILE B 32 -8.434 0.310 4.131 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -8.842 3.017 2.840 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.027 2.725 4.558 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -7.293 0.524 1.978 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -8.688 -0.573 1.852 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -8.801 1.085 1.218 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -6.904 3.764 4.070 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -6.662 2.127 4.725 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -6.474 2.423 2.981 1.00 0.00 H new ATOM 1866 N THR B 33 -10.685 -1.511 3.978 1.00 0.00 N ATOM 1867 CA THR B 33 -11.227 -2.892 3.827 1.00 0.00 C ATOM 1868 C THR B 33 -12.773 -2.994 3.643 1.00 0.00 C ATOM 1869 O THR B 33 -13.208 -3.881 2.909 1.00 0.00 O ATOM 1870 CB THR B 33 -10.696 -3.761 5.000 1.00 0.00 C ATOM 1871 OG1 THR B 33 -11.363 -5.016 5.104 1.00 0.00 O ATOM 1872 CG2 THR B 33 -10.686 -3.064 6.378 1.00 0.00 C ATOM 0 H THR B 33 -10.088 -1.389 4.796 1.00 0.00 H new ATOM 0 HA THR B 33 -10.860 -3.280 2.877 1.00 0.00 H new ATOM 0 HB THR B 33 -9.654 -3.930 4.727 1.00 0.00 H new ATOM 0 HG1 THR B 33 -10.991 -5.523 5.855 1.00 0.00 H new ATOM 0 HG21 THR B 33 -10.299 -3.751 7.130 1.00 0.00 H new ATOM 0 HG22 THR B 33 -10.051 -2.179 6.334 1.00 0.00 H new ATOM 0 HG23 THR B 33 -11.701 -2.769 6.644 1.00 0.00 H new ATOM 1880 N GLU B 34 -13.580 -2.108 4.268 1.00 0.00 N ATOM 1881 CA GLU B 34 -15.018 -1.971 3.911 1.00 0.00 C ATOM 1882 C GLU B 34 -15.209 -1.329 2.497 1.00 0.00 C ATOM 1883 O GLU B 34 -16.143 -1.729 1.807 1.00 0.00 O ATOM 1884 CB GLU B 34 -15.788 -1.248 5.049 1.00 0.00 C ATOM 1885 CG GLU B 34 -17.329 -1.203 4.916 1.00 0.00 C ATOM 1886 CD GLU B 34 -18.010 -2.577 4.941 1.00 0.00 C ATOM 1887 OE1 GLU B 34 -18.268 -3.224 3.926 1.00 0.00 O ATOM 1888 OE2 GLU B 34 -18.285 -2.998 6.218 1.00 0.00 O ATOM 0 H GLU B 34 -13.270 -1.483 5.012 1.00 0.00 H new ATOM 0 HA GLU B 34 -15.459 -2.964 3.823 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -15.541 -1.735 5.992 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -15.421 -0.224 5.113 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -17.733 -0.596 5.726 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -17.586 -0.701 3.983 1.00 0.00 H new ATOM 1896 N ALA B 35 -14.348 -0.383 2.050 1.00 0.00 N ATOM 1897 CA ALA B 35 -14.303 0.096 0.644 1.00 0.00 C ATOM 1898 C ALA B 35 -14.017 -1.049 -0.370 1.00 0.00 C ATOM 1899 O ALA B 35 -14.854 -1.351 -1.214 1.00 0.00 O ATOM 1900 CB ALA B 35 -13.222 1.226 0.462 1.00 0.00 C ATOM 0 H ALA B 35 -13.663 0.071 2.654 1.00 0.00 H new ATOM 0 HA ALA B 35 -15.294 0.498 0.433 1.00 0.00 H new ATOM 0 HB1 ALA B 35 -13.212 1.556 -0.577 1.00 0.00 H new ATOM 0 HB2 ALA B 35 -13.465 2.069 1.109 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -12.240 0.836 0.728 1.00 0.00 H new ATOM 1906 N LEU B 36 -12.874 -1.730 -0.219 1.00 0.00 N ATOM 1907 CA LEU B 36 -12.367 -2.819 -1.084 1.00 0.00 C ATOM 1908 C LEU B 36 -13.325 -4.002 -1.099 1.00 0.00 C ATOM 1909 O LEU B 36 -13.806 -4.341 -2.182 1.00 0.00 O ATOM 1910 CB LEU B 36 -10.917 -3.135 -0.663 1.00 0.00 C ATOM 1911 CG LEU B 36 -9.993 -1.867 -0.514 1.00 0.00 C ATOM 1912 CD1 LEU B 36 -8.518 -2.173 -0.452 1.00 0.00 C ATOM 1913 CD2 LEU B 36 -10.151 -0.797 -1.611 1.00 0.00 C ATOM 0 H LEU B 36 -12.237 -1.529 0.552 1.00 0.00 H new ATOM 0 HA LEU B 36 -12.328 -2.515 -2.130 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -10.935 -3.670 0.286 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -10.476 -3.807 -1.399 1.00 0.00 H new ATOM 0 HG LEU B 36 -10.353 -1.478 0.438 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -7.958 -1.244 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -8.315 -2.815 0.405 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -8.213 -2.682 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -9.470 0.031 -1.413 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -9.918 -1.234 -2.582 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -11.177 -0.430 -1.616 1.00 0.00 H new ATOM 1925 N ARG B 37 -13.704 -4.558 0.073 1.00 0.00 N ATOM 1926 CA ARG B 37 -14.711 -5.632 0.087 1.00 0.00 C ATOM 1927 C ARG B 37 -16.106 -5.234 -0.519 1.00 0.00 C ATOM 1928 O ARG B 37 -16.780 -6.120 -1.051 1.00 0.00 O ATOM 1929 CB ARG B 37 -14.812 -6.351 1.451 1.00 0.00 C ATOM 1930 CG ARG B 37 -15.888 -5.805 2.417 1.00 0.00 C ATOM 1931 CD ARG B 37 -15.660 -6.151 3.878 1.00 0.00 C ATOM 1932 NE ARG B 37 -15.712 -7.608 4.168 1.00 0.00 N ATOM 1933 CZ ARG B 37 -14.997 -8.230 5.125 1.00 0.00 C ATOM 1934 NH1 ARG B 37 -14.162 -7.607 5.956 1.00 0.00 N ATOM 1935 NH2 ARG B 37 -15.130 -9.537 5.246 1.00 0.00 N ATOM 0 H ARG B 37 -13.341 -4.291 0.988 1.00 0.00 H new ATOM 0 HA ARG B 37 -14.326 -6.374 -0.612 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -15.014 -7.407 1.271 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -13.842 -6.292 1.945 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -15.931 -4.720 2.316 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -16.861 -6.192 2.113 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -14.688 -5.764 4.185 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -16.411 -5.643 4.483 1.00 0.00 H new ATOM 0 HE ARG B 37 -16.336 -8.180 3.599 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -14.034 -6.597 5.889 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -13.650 -8.140 6.659 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -15.760 -10.045 4.625 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -14.603 -10.039 5.960 1.00 0.00 H new ATOM 1948 N LYS B 38 -16.527 -3.939 -0.415 1.00 0.00 N ATOM 1949 CA LYS B 38 -17.857 -3.495 -0.915 1.00 0.00 C ATOM 1950 C LYS B 38 -17.849 -2.798 -2.328 1.00 0.00 C ATOM 1951 O LYS B 38 -18.839 -2.156 -2.693 1.00 0.00 O ATOM 1952 CB LYS B 38 -18.505 -2.633 0.207 1.00 0.00 C ATOM 1953 CG LYS B 38 -20.038 -2.429 0.155 1.00 0.00 C ATOM 1954 CD LYS B 38 -20.634 -1.760 1.413 1.00 0.00 C ATOM 1955 CE LYS B 38 -20.170 -0.309 1.659 1.00 0.00 C ATOM 1956 NZ LYS B 38 -20.815 0.267 2.853 1.00 0.00 N ATOM 0 H LYS B 38 -15.970 -3.195 0.006 1.00 0.00 H new ATOM 0 HA LYS B 38 -18.466 -4.376 -1.117 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -18.259 -3.089 1.166 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -18.034 -1.650 0.191 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -20.282 -1.821 -0.716 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -20.517 -3.398 0.012 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -21.721 -1.770 1.331 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -20.375 -2.362 2.284 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -19.087 -0.288 1.783 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -20.403 0.302 0.787 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -20.482 1.243 2.991 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -21.847 0.268 2.724 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -20.572 -0.303 3.688 1.00 0.00 H new ATOM 1969 N GLY B 39 -16.777 -2.925 -3.143 1.00 0.00 N ATOM 1970 CA GLY B 39 -16.670 -2.245 -4.464 1.00 0.00 C ATOM 1971 C GLY B 39 -16.562 -0.694 -4.458 1.00 0.00 C ATOM 1972 O GLY B 39 -17.234 -0.031 -5.251 1.00 0.00 O ATOM 0 H GLY B 39 -15.965 -3.496 -2.910 1.00 0.00 H new ATOM 0 HA2 GLY B 39 -15.795 -2.643 -4.979 1.00 0.00 H new ATOM 0 HA3 GLY B 39 -17.542 -2.521 -5.057 1.00 0.00 H new ATOM 1976 N ASP B 40 -15.704 -0.145 -3.580 1.00 0.00 N ATOM 1977 CA ASP B 40 -15.494 1.324 -3.412 1.00 0.00 C ATOM 1978 C ASP B 40 -13.997 1.688 -3.563 1.00 0.00 C ATOM 1979 O ASP B 40 -13.119 1.037 -2.985 1.00 0.00 O ATOM 1980 CB ASP B 40 -16.087 1.923 -2.112 1.00 0.00 C ATOM 1981 CG ASP B 40 -17.579 1.657 -1.855 1.00 0.00 C ATOM 1982 OD1 ASP B 40 -18.483 2.329 -2.350 1.00 0.00 O ATOM 1983 OD2 ASP B 40 -17.778 0.586 -1.023 1.00 0.00 O ATOM 0 H ASP B 40 -15.125 -0.706 -2.955 1.00 0.00 H new ATOM 0 HA ASP B 40 -16.063 1.788 -4.218 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -15.520 1.533 -1.267 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -15.931 3.002 -2.131 1.00 0.00 H new ATOM 1989 N LYS B 41 -13.728 2.763 -4.337 1.00 0.00 N ATOM 1990 CA LYS B 41 -12.354 3.290 -4.523 1.00 0.00 C ATOM 1991 C LYS B 41 -12.045 4.279 -3.369 1.00 0.00 C ATOM 1992 O LYS B 41 -12.791 5.220 -3.077 1.00 0.00 O ATOM 1993 CB LYS B 41 -12.104 4.058 -5.845 1.00 0.00 C ATOM 1994 CG LYS B 41 -12.448 3.319 -7.153 1.00 0.00 C ATOM 1995 CD LYS B 41 -12.019 4.121 -8.402 1.00 0.00 C ATOM 1996 CE LYS B 41 -12.218 3.396 -9.746 1.00 0.00 C ATOM 1997 NZ LYS B 41 -13.635 3.213 -10.113 1.00 0.00 N ATOM 0 H LYS B 41 -14.444 3.284 -4.844 1.00 0.00 H new ATOM 0 HA LYS B 41 -11.713 2.408 -4.541 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -12.681 4.982 -5.815 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -11.052 4.340 -5.881 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -11.956 2.347 -7.160 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -13.521 3.133 -7.193 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -12.580 5.055 -8.425 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -10.966 4.384 -8.301 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -11.718 3.961 -10.532 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -11.735 2.420 -9.698 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -13.696 2.719 -11.026 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -14.113 2.649 -9.382 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -14.096 4.142 -10.190 1.00 0.00 H new ATOM 2010 N VAL B 42 -10.881 4.056 -2.773 1.00 0.00 N ATOM 2011 CA VAL B 42 -10.314 4.834 -1.677 1.00 0.00 C ATOM 2012 C VAL B 42 -9.279 5.764 -2.332 1.00 0.00 C ATOM 2013 O VAL B 42 -8.553 5.403 -3.262 1.00 0.00 O ATOM 2014 CB VAL B 42 -9.674 3.758 -0.769 1.00 0.00 C ATOM 2015 CG1 VAL B 42 -8.887 4.261 0.400 1.00 0.00 C ATOM 2016 CG2 VAL B 42 -10.715 2.884 -0.101 1.00 0.00 C ATOM 0 H VAL B 42 -10.274 3.287 -3.056 1.00 0.00 H new ATOM 0 HA VAL B 42 -11.001 5.449 -1.096 1.00 0.00 H new ATOM 0 HB VAL B 42 -9.028 3.247 -1.483 1.00 0.00 H new ATOM 0 HG11 VAL B 42 -8.488 3.416 0.961 1.00 0.00 H new ATOM 0 HG12 VAL B 42 -8.064 4.882 0.045 1.00 0.00 H new ATOM 0 HG13 VAL B 42 -9.535 4.853 1.047 1.00 0.00 H new ATOM 0 HG21 VAL B 42 -10.220 2.143 0.527 1.00 0.00 H new ATOM 0 HG22 VAL B 42 -11.369 3.502 0.514 1.00 0.00 H new ATOM 0 HG23 VAL B 42 -11.307 2.377 -0.863 1.00 0.00 H new ATOM 2026 N GLN B 43 -9.254 6.978 -1.805 1.00 0.00 N ATOM 2027 CA GLN B 43 -8.427 8.081 -2.380 1.00 0.00 C ATOM 2028 C GLN B 43 -7.536 8.815 -1.333 1.00 0.00 C ATOM 2029 O GLN B 43 -7.903 8.991 -0.169 1.00 0.00 O ATOM 2030 CB GLN B 43 -9.221 8.923 -3.428 1.00 0.00 C ATOM 2031 CG GLN B 43 -9.675 8.124 -4.677 1.00 0.00 C ATOM 2032 CD GLN B 43 -10.427 8.880 -5.782 1.00 0.00 C ATOM 2033 OE1 GLN B 43 -10.566 10.104 -5.786 1.00 0.00 O ATOM 2034 NE2 GLN B 43 -10.932 8.128 -6.752 1.00 0.00 N ATOM 0 H GLN B 43 -9.790 7.246 -0.979 1.00 0.00 H new ATOM 0 HA GLN B 43 -7.641 7.646 -2.998 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -10.100 9.348 -2.944 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -8.600 9.758 -3.752 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -8.790 7.672 -5.124 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -10.312 7.308 -4.338 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -10.806 7.116 -6.731 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -11.446 8.562 -7.519 1.00 0.00 H new ATOM 2043 N LEU B 44 -6.316 9.175 -1.789 1.00 0.00 N ATOM 2044 CA LEU B 44 -5.247 9.826 -0.991 1.00 0.00 C ATOM 2045 C LEU B 44 -4.520 10.796 -1.973 1.00 0.00 C ATOM 2046 O LEU B 44 -3.903 10.349 -2.946 1.00 0.00 O ATOM 2047 CB LEU B 44 -4.213 8.816 -0.389 1.00 0.00 C ATOM 2048 CG LEU B 44 -4.798 7.629 0.434 1.00 0.00 C ATOM 2049 CD1 LEU B 44 -5.030 6.361 -0.415 1.00 0.00 C ATOM 2050 CD2 LEU B 44 -3.932 7.270 1.657 1.00 0.00 C ATOM 0 H LEU B 44 -6.036 9.016 -2.757 1.00 0.00 H new ATOM 0 HA LEU B 44 -5.692 10.332 -0.134 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -3.622 8.405 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -3.528 9.371 0.252 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.766 7.989 0.784 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -5.438 5.571 0.215 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -5.733 6.584 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -4.083 6.031 -0.843 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.387 6.437 2.193 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -2.933 6.986 1.325 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.862 8.133 2.319 1.00 0.00 H new ATOM 2062 N ILE B 45 -4.567 12.122 -1.736 1.00 0.00 N ATOM 2063 CA ILE B 45 -3.947 13.129 -2.649 1.00 0.00 C ATOM 2064 C ILE B 45 -2.395 13.173 -2.476 1.00 0.00 C ATOM 2065 O ILE B 45 -1.862 13.078 -1.365 1.00 0.00 O ATOM 2066 CB ILE B 45 -4.689 14.504 -2.559 1.00 0.00 C ATOM 2067 CG1 ILE B 45 -4.448 15.396 -3.813 1.00 0.00 C ATOM 2068 CG2 ILE B 45 -4.362 15.253 -1.253 1.00 0.00 C ATOM 2069 CD1 ILE B 45 -5.409 16.584 -3.976 1.00 0.00 C ATOM 0 H ILE B 45 -5.026 12.530 -0.922 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.086 12.820 -3.685 1.00 0.00 H new ATOM 0 HB ILE B 45 -5.755 14.276 -2.540 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -3.428 15.779 -3.774 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -4.519 14.769 -4.702 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -4.899 16.202 -1.233 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -4.666 14.646 -0.400 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -3.290 15.442 -1.200 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -5.153 17.138 -4.879 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -6.432 16.216 -4.053 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -5.324 17.242 -3.111 1.00 0.00 H new ATOM 2081 N GLY B 46 -1.700 13.298 -3.614 1.00 0.00 N ATOM 2082 CA GLY B 46 -0.213 13.247 -3.671 1.00 0.00 C ATOM 2083 C GLY B 46 0.499 11.953 -3.170 1.00 0.00 C ATOM 2084 O GLY B 46 1.667 12.028 -2.779 1.00 0.00 O ATOM 0 H GLY B 46 -2.140 13.437 -4.524 1.00 0.00 H new ATOM 0 HA2 GLY B 46 0.087 13.413 -4.706 1.00 0.00 H new ATOM 0 HA3 GLY B 46 0.172 14.085 -3.090 1.00 0.00 H new ATOM 2088 N PHE B 47 -0.185 10.788 -3.202 1.00 0.00 N ATOM 2089 CA PHE B 47 0.305 9.525 -2.619 1.00 0.00 C ATOM 2090 C PHE B 47 -0.378 8.228 -3.144 1.00 0.00 C ATOM 2091 O PHE B 47 0.348 7.242 -3.301 1.00 0.00 O ATOM 2092 CB PHE B 47 0.098 9.605 -1.075 1.00 0.00 C ATOM 2093 CG PHE B 47 0.792 8.456 -0.312 1.00 0.00 C ATOM 2094 CD1 PHE B 47 2.169 8.247 -0.456 1.00 0.00 C ATOM 2095 CD2 PHE B 47 0.005 7.452 0.263 1.00 0.00 C ATOM 2096 CE1 PHE B 47 2.732 7.029 -0.090 1.00 0.00 C ATOM 2097 CE2 PHE B 47 0.582 6.247 0.652 1.00 0.00 C ATOM 2098 CZ PHE B 47 1.945 6.039 0.472 1.00 0.00 C ATOM 0 H PHE B 47 -1.103 10.700 -3.639 1.00 0.00 H new ATOM 0 HA PHE B 47 1.350 9.439 -2.917 1.00 0.00 H new ATOM 0 HB2 PHE B 47 0.481 10.558 -0.712 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -0.970 9.586 -0.856 1.00 0.00 H new ATOM 0 HD1 PHE B 47 2.795 9.033 -0.852 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -1.053 7.613 0.405 1.00 0.00 H new ATOM 0 HE1 PHE B 47 3.787 6.855 -0.245 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -0.029 5.473 1.094 1.00 0.00 H new ATOM 0 HZ PHE B 47 2.391 5.102 0.772 1.00 0.00 H new ATOM 2108 N GLY B 48 -1.718 8.163 -3.303 1.00 0.00 N ATOM 2109 CA GLY B 48 -2.368 6.906 -3.710 1.00 0.00 C ATOM 2110 C GLY B 48 -3.872 6.863 -3.962 1.00 0.00 C ATOM 2111 O GLY B 48 -4.616 7.828 -3.791 1.00 0.00 O ATOM 0 H GLY B 48 -2.354 8.947 -3.159 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -1.878 6.571 -4.624 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -2.149 6.166 -2.941 1.00 0.00 H new ATOM 2115 N ASN B 49 -4.282 5.671 -4.414 1.00 0.00 N ATOM 2116 CA ASN B 49 -5.696 5.359 -4.721 1.00 0.00 C ATOM 2117 C ASN B 49 -5.833 3.818 -4.647 1.00 0.00 C ATOM 2118 O ASN B 49 -5.452 3.121 -5.593 1.00 0.00 O ATOM 2119 CB ASN B 49 -6.133 5.957 -6.098 1.00 0.00 C ATOM 2120 CG ASN B 49 -7.549 5.634 -6.635 1.00 0.00 C ATOM 2121 OD1 ASN B 49 -8.351 4.912 -6.043 1.00 0.00 O ATOM 2122 ND2 ASN B 49 -7.880 6.166 -7.801 1.00 0.00 N ATOM 0 H ASN B 49 -3.647 4.890 -4.580 1.00 0.00 H new ATOM 0 HA ASN B 49 -6.372 5.821 -4.001 1.00 0.00 H new ATOM 0 HB2 ASN B 49 -6.045 7.041 -6.030 1.00 0.00 H new ATOM 0 HB3 ASN B 49 -5.413 5.625 -6.846 1.00 0.00 H new ATOM 0 HD21 ASN B 49 -8.797 5.977 -8.206 1.00 0.00 H new ATOM 0 HD22 ASN B 49 -7.218 6.765 -8.295 1.00 0.00 H new ATOM 2129 N PHE B 50 -6.402 3.281 -3.546 1.00 0.00 N ATOM 2130 CA PHE B 50 -6.685 1.822 -3.450 1.00 0.00 C ATOM 2131 C PHE B 50 -7.988 1.512 -4.217 1.00 0.00 C ATOM 2132 O PHE B 50 -8.964 2.268 -4.149 1.00 0.00 O ATOM 2133 CB PHE B 50 -6.882 1.185 -2.043 1.00 0.00 C ATOM 2134 CG PHE B 50 -5.833 1.370 -0.968 1.00 0.00 C ATOM 2135 CD1 PHE B 50 -5.661 2.630 -0.387 1.00 0.00 C ATOM 2136 CD2 PHE B 50 -5.219 0.251 -0.392 1.00 0.00 C ATOM 2137 CE1 PHE B 50 -4.806 2.788 0.695 1.00 0.00 C ATOM 2138 CE2 PHE B 50 -4.377 0.414 0.701 1.00 0.00 C ATOM 2139 CZ PHE B 50 -4.137 1.686 1.201 1.00 0.00 C ATOM 0 H PHE B 50 -6.672 3.819 -2.723 1.00 0.00 H new ATOM 0 HA PHE B 50 -5.769 1.388 -3.852 1.00 0.00 H new ATOM 0 HB2 PHE B 50 -7.823 1.566 -1.645 1.00 0.00 H new ATOM 0 HB3 PHE B 50 -7.009 0.112 -2.189 1.00 0.00 H new ATOM 0 HD1 PHE B 50 -6.195 3.482 -0.781 1.00 0.00 H new ATOM 0 HD2 PHE B 50 -5.399 -0.734 -0.796 1.00 0.00 H new ATOM 0 HE1 PHE B 50 -4.664 3.762 1.139 1.00 0.00 H new ATOM 0 HE2 PHE B 50 -3.911 -0.446 1.160 1.00 0.00 H new ATOM 0 HZ PHE B 50 -3.418 1.819 1.996 1.00 0.00 H new ATOM 2149 N GLU B 51 -8.000 0.376 -4.923 1.00 0.00 N ATOM 2150 CA GLU B 51 -9.217 -0.074 -5.639 1.00 0.00 C ATOM 2151 C GLU B 51 -9.195 -1.595 -5.858 1.00 0.00 C ATOM 2152 O GLU B 51 -8.143 -2.213 -6.042 1.00 0.00 O ATOM 2153 CB GLU B 51 -9.495 0.740 -6.944 1.00 0.00 C ATOM 2154 CG GLU B 51 -8.453 0.710 -8.091 1.00 0.00 C ATOM 2155 CD GLU B 51 -8.473 -0.552 -8.963 1.00 0.00 C ATOM 2156 OE1 GLU B 51 -7.603 -1.422 -8.922 1.00 0.00 O ATOM 2157 OE2 GLU B 51 -9.568 -0.594 -9.788 1.00 0.00 O ATOM 0 H GLU B 51 -7.198 -0.246 -5.019 1.00 0.00 H new ATOM 0 HA GLU B 51 -10.071 0.141 -4.997 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -10.443 0.390 -7.353 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -9.637 1.782 -6.657 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -8.617 1.577 -8.731 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -7.458 0.817 -7.659 1.00 0.00 H new ATOM 2165 N VAL B 52 -10.389 -2.203 -5.875 1.00 0.00 N ATOM 2166 CA VAL B 52 -10.557 -3.645 -6.066 1.00 0.00 C ATOM 2167 C VAL B 52 -10.502 -3.975 -7.598 1.00 0.00 C ATOM 2168 O VAL B 52 -10.744 -3.100 -8.443 1.00 0.00 O ATOM 2169 CB VAL B 52 -11.872 -3.923 -5.249 1.00 0.00 C ATOM 2170 CG1 VAL B 52 -13.076 -4.191 -6.151 1.00 0.00 C ATOM 2171 CG2 VAL B 52 -11.610 -4.983 -4.174 1.00 0.00 C ATOM 0 H VAL B 52 -11.270 -1.702 -5.756 1.00 0.00 H new ATOM 0 HA VAL B 52 -9.783 -4.319 -5.697 1.00 0.00 H new ATOM 0 HB VAL B 52 -12.159 -3.018 -4.714 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -13.957 -4.377 -5.536 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -13.254 -3.324 -6.788 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -12.877 -5.064 -6.773 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -12.527 -5.168 -3.614 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -11.281 -5.908 -4.648 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -10.835 -4.628 -3.494 1.00 0.00 H new ATOM 2181 N ARG B 53 -10.241 -5.246 -7.955 1.00 0.00 N ATOM 2182 CA ARG B 53 -10.106 -5.633 -9.373 1.00 0.00 C ATOM 2183 C ARG B 53 -11.012 -6.848 -9.666 1.00 0.00 C ATOM 2184 O ARG B 53 -10.632 -7.968 -9.323 1.00 0.00 O ATOM 2185 CB ARG B 53 -8.608 -5.981 -9.594 1.00 0.00 C ATOM 2186 CG ARG B 53 -8.107 -5.903 -11.055 1.00 0.00 C ATOM 2187 CD ARG B 53 -7.636 -4.512 -11.544 1.00 0.00 C ATOM 2188 NE ARG B 53 -8.687 -3.464 -11.620 1.00 0.00 N ATOM 2189 CZ ARG B 53 -9.609 -3.354 -12.597 1.00 0.00 C ATOM 2190 NH1 ARG B 53 -9.693 -4.179 -13.639 1.00 0.00 N ATOM 2191 NH2 ARG B 53 -10.487 -2.371 -12.513 1.00 0.00 N ATOM 0 H ARG B 53 -10.121 -6.013 -7.293 1.00 0.00 H new ATOM 0 HA ARG B 53 -10.412 -4.832 -10.046 1.00 0.00 H new ATOM 0 HB2 ARG B 53 -8.004 -5.307 -8.986 1.00 0.00 H new ATOM 0 HB3 ARG B 53 -8.430 -6.990 -9.222 1.00 0.00 H new ATOM 0 HG2 ARG B 53 -7.281 -6.605 -11.172 1.00 0.00 H new ATOM 0 HG3 ARG B 53 -8.909 -6.243 -11.710 1.00 0.00 H new ATOM 0 HD2 ARG B 53 -6.847 -4.162 -10.878 1.00 0.00 H new ATOM 0 HD3 ARG B 53 -7.191 -4.627 -12.533 1.00 0.00 H new ATOM 0 HE ARG B 53 -8.713 -2.771 -10.872 1.00 0.00 H new ATOM 0 HH11 ARG B 53 -9.034 -4.952 -13.732 1.00 0.00 H new ATOM 0 HH12 ARG B 53 -10.417 -4.038 -14.344 1.00 0.00 H new ATOM 0 HH21 ARG B 53 -10.454 -1.724 -11.726 1.00 0.00 H new ATOM 0 HH22 ARG B 53 -11.198 -2.259 -13.236 1.00 0.00 H new ATOM 2522 N LYS B 75 -12.230 -10.132 -6.379 1.00 0.00 N ATOM 2523 CA LYS B 75 -12.064 -8.650 -6.330 1.00 0.00 C ATOM 2524 C LYS B 75 -10.680 -8.416 -5.669 1.00 0.00 C ATOM 2525 O LYS B 75 -10.493 -8.710 -4.486 1.00 0.00 O ATOM 2526 CB LYS B 75 -13.160 -7.825 -5.621 1.00 0.00 C ATOM 2527 CG LYS B 75 -14.607 -8.360 -5.603 1.00 0.00 C ATOM 2528 CD LYS B 75 -15.555 -7.404 -4.850 1.00 0.00 C ATOM 2529 CE LYS B 75 -17.003 -7.917 -4.780 1.00 0.00 C ATOM 2530 NZ LYS B 75 -17.869 -6.979 -4.042 1.00 0.00 N ATOM 0 HA LYS B 75 -12.149 -8.281 -7.352 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -12.848 -7.685 -4.586 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -13.180 -6.838 -6.084 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -14.960 -8.492 -6.626 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -14.627 -9.341 -5.129 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -15.180 -7.254 -3.837 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -15.545 -6.431 -5.341 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -17.391 -8.056 -5.789 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -17.022 -8.892 -4.294 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -18.808 -7.405 -3.909 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -17.447 -6.774 -3.114 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -17.963 -6.095 -4.582 1.00 0.00 H new ATOM 2543 N VAL B 76 -9.726 -7.898 -6.455 1.00 0.00 N ATOM 2544 CA VAL B 76 -8.288 -7.899 -6.104 1.00 0.00 C ATOM 2545 C VAL B 76 -7.794 -6.521 -5.603 1.00 0.00 C ATOM 2546 O VAL B 76 -7.738 -5.587 -6.407 1.00 0.00 O ATOM 2547 CB VAL B 76 -7.370 -8.686 -7.091 1.00 0.00 C ATOM 2548 CG1 VAL B 76 -8.096 -9.910 -7.649 1.00 0.00 C ATOM 2549 CG2 VAL B 76 -6.574 -8.064 -8.241 1.00 0.00 C ATOM 0 H VAL B 76 -9.925 -7.464 -7.356 1.00 0.00 H new ATOM 0 HA VAL B 76 -8.184 -8.527 -5.219 1.00 0.00 H new ATOM 0 HB VAL B 76 -6.565 -8.849 -6.374 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -7.437 -10.443 -8.334 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -8.378 -10.571 -6.829 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -8.992 -9.590 -8.182 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -6.022 -8.844 -8.765 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -7.258 -7.575 -8.934 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -5.874 -7.329 -7.843 1.00 0.00 H new ATOM 2559 N PRO B 77 -7.406 -6.339 -4.312 1.00 0.00 N ATOM 2560 CA PRO B 77 -7.077 -5.014 -3.763 1.00 0.00 C ATOM 2561 C PRO B 77 -5.657 -4.542 -4.127 1.00 0.00 C ATOM 2562 O PRO B 77 -4.627 -5.180 -3.882 1.00 0.00 O ATOM 2563 CB PRO B 77 -7.261 -5.237 -2.252 1.00 0.00 C ATOM 2564 CG PRO B 77 -6.846 -6.694 -2.047 1.00 0.00 C ATOM 2565 CD PRO B 77 -7.347 -7.410 -3.304 1.00 0.00 C ATOM 0 HA PRO B 77 -7.702 -4.217 -4.165 1.00 0.00 H new ATOM 0 HB2 PRO B 77 -6.639 -4.558 -1.668 1.00 0.00 H new ATOM 0 HB3 PRO B 77 -8.293 -5.068 -1.945 1.00 0.00 H new ATOM 0 HG2 PRO B 77 -5.765 -6.789 -1.939 1.00 0.00 H new ATOM 0 HG3 PRO B 77 -7.294 -7.112 -1.146 1.00 0.00 H new ATOM 0 HD2 PRO B 77 -6.670 -8.209 -3.607 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -8.325 -7.864 -3.144 1.00 0.00 H new ATOM 2573 N ALA B 78 -5.708 -3.369 -4.728 1.00 0.00 N ATOM 2574 CA ALA B 78 -4.554 -2.644 -5.245 1.00 0.00 C ATOM 2575 C ALA B 78 -4.376 -1.330 -4.444 1.00 0.00 C ATOM 2576 O ALA B 78 -5.216 -0.912 -3.642 1.00 0.00 O ATOM 2577 CB ALA B 78 -4.938 -2.435 -6.722 1.00 0.00 C ATOM 0 H ALA B 78 -6.586 -2.872 -4.877 1.00 0.00 H new ATOM 0 HA ALA B 78 -3.592 -3.149 -5.155 1.00 0.00 H new ATOM 0 HB1 ALA B 78 -4.142 -1.893 -7.232 1.00 0.00 H new ATOM 0 HB2 ALA B 78 -5.082 -3.403 -7.201 1.00 0.00 H new ATOM 0 HB3 ALA B 78 -5.863 -1.861 -6.780 1.00 0.00 H new ATOM 2583 N PHE B 79 -3.221 -0.718 -4.679 1.00 0.00 N ATOM 2584 CA PHE B 79 -2.816 0.585 -4.096 1.00 0.00 C ATOM 2585 C PHE B 79 -1.961 1.192 -5.251 1.00 0.00 C ATOM 2586 O PHE B 79 -0.889 0.706 -5.631 1.00 0.00 O ATOM 2587 CB PHE B 79 -2.079 0.460 -2.750 1.00 0.00 C ATOM 2588 CG PHE B 79 -1.236 1.680 -2.321 1.00 0.00 C ATOM 2589 CD1 PHE B 79 -1.837 2.802 -1.744 1.00 0.00 C ATOM 2590 CD2 PHE B 79 0.121 1.734 -2.674 1.00 0.00 C ATOM 2591 CE1 PHE B 79 -1.100 3.966 -1.546 1.00 0.00 C ATOM 2592 CE2 PHE B 79 0.846 2.908 -2.505 1.00 0.00 C ATOM 2593 CZ PHE B 79 0.232 4.025 -1.951 1.00 0.00 C ATOM 0 H PHE B 79 -2.511 -1.114 -5.295 1.00 0.00 H new ATOM 0 HA PHE B 79 -3.654 1.219 -3.808 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -2.817 0.262 -1.972 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -1.424 -0.410 -2.797 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -2.876 2.766 -1.451 1.00 0.00 H new ATOM 0 HD2 PHE B 79 0.605 0.858 -3.080 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -1.561 4.824 -1.078 1.00 0.00 H new ATOM 0 HE2 PHE B 79 1.883 2.952 -2.803 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.790 4.943 -1.834 1.00 0.00 H new ATOM 2603 N LYS B 80 -2.484 2.301 -5.747 1.00 0.00 N ATOM 2604 CA LYS B 80 -1.791 3.193 -6.725 1.00 0.00 C ATOM 2605 C LYS B 80 -0.741 4.034 -5.960 1.00 0.00 C ATOM 2606 O LYS B 80 -1.051 4.471 -4.848 1.00 0.00 O ATOM 2607 CB LYS B 80 -2.808 4.125 -7.436 1.00 0.00 C ATOM 2608 CG LYS B 80 -3.808 3.442 -8.401 1.00 0.00 C ATOM 2609 CD LYS B 80 -3.192 2.864 -9.695 1.00 0.00 C ATOM 2610 CE LYS B 80 -4.219 2.255 -10.672 1.00 0.00 C ATOM 2611 NZ LYS B 80 -4.827 1.003 -10.179 1.00 0.00 N ATOM 0 H LYS B 80 -3.415 2.632 -5.492 1.00 0.00 H new ATOM 0 HA LYS B 80 -1.303 2.588 -7.489 1.00 0.00 H new ATOM 0 HB2 LYS B 80 -3.377 4.655 -6.673 1.00 0.00 H new ATOM 0 HB3 LYS B 80 -2.250 4.875 -7.996 1.00 0.00 H new ATOM 0 HG2 LYS B 80 -4.310 2.636 -7.866 1.00 0.00 H new ATOM 0 HG3 LYS B 80 -4.574 4.167 -8.676 1.00 0.00 H new ATOM 0 HD2 LYS B 80 -2.646 3.655 -10.208 1.00 0.00 H new ATOM 0 HD3 LYS B 80 -2.465 2.097 -9.426 1.00 0.00 H new ATOM 0 HE2 LYS B 80 -5.008 2.984 -10.859 1.00 0.00 H new ATOM 0 HE3 LYS B 80 -3.730 2.061 -11.627 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 -5.506 0.647 -10.881 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 -4.083 0.293 -10.026 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 -5.321 1.186 -9.282 1.00 0.00 H new ATOM 2624 N PRO B 81 0.491 4.300 -6.478 1.00 0.00 N ATOM 2625 CA PRO B 81 1.391 5.306 -5.856 1.00 0.00 C ATOM 2626 C PRO B 81 1.009 6.788 -6.214 1.00 0.00 C ATOM 2627 O PRO B 81 1.877 7.658 -6.254 1.00 0.00 O ATOM 2628 CB PRO B 81 2.737 4.834 -6.437 1.00 0.00 C ATOM 2629 CG PRO B 81 2.425 4.307 -7.838 1.00 0.00 C ATOM 2630 CD PRO B 81 1.056 3.653 -7.682 1.00 0.00 C ATOM 0 HA PRO B 81 1.364 5.349 -4.767 1.00 0.00 H new ATOM 0 HB2 PRO B 81 3.454 5.654 -6.479 1.00 0.00 H new ATOM 0 HB3 PRO B 81 3.179 4.055 -5.816 1.00 0.00 H new ATOM 0 HG2 PRO B 81 2.403 5.112 -8.573 1.00 0.00 H new ATOM 0 HG3 PRO B 81 3.175 3.591 -8.173 1.00 0.00 H new ATOM 0 HD2 PRO B 81 0.430 3.822 -8.558 1.00 0.00 H new ATOM 0 HD3 PRO B 81 1.140 2.574 -7.554 1.00 0.00 H new ATOM 2638 N GLY B 82 -0.294 7.063 -6.456 1.00 0.00 N ATOM 2639 CA GLY B 82 -0.854 8.363 -6.886 1.00 0.00 C ATOM 2640 C GLY B 82 -0.130 9.166 -7.976 1.00 0.00 C ATOM 2641 O GLY B 82 -0.369 10.375 -8.033 1.00 0.00 O ATOM 0 H GLY B 82 -1.016 6.350 -6.351 1.00 0.00 H new ATOM 0 HA2 GLY B 82 -1.872 8.184 -7.232 1.00 0.00 H new ATOM 0 HA3 GLY B 82 -0.925 8.998 -6.003 1.00 0.00 H new ATOM 2645 N LYS B 83 0.740 8.509 -8.792 1.00 0.00 N ATOM 2646 CA LYS B 83 1.722 9.203 -9.708 1.00 0.00 C ATOM 2647 C LYS B 83 2.916 9.928 -8.984 1.00 0.00 C ATOM 2648 O LYS B 83 4.080 9.852 -9.373 1.00 0.00 O ATOM 2649 CB LYS B 83 1.065 10.186 -10.724 1.00 0.00 C ATOM 2650 CG LYS B 83 0.927 9.617 -12.150 1.00 0.00 C ATOM 2651 CD LYS B 83 0.244 10.596 -13.128 1.00 0.00 C ATOM 2652 CE LYS B 83 0.102 10.076 -14.573 1.00 0.00 C ATOM 2653 NZ LYS B 83 -0.885 8.986 -14.708 1.00 0.00 N ATOM 0 H LYS B 83 0.790 7.491 -8.842 1.00 0.00 H new ATOM 0 HA LYS B 83 2.138 8.360 -10.260 1.00 0.00 H new ATOM 0 HB2 LYS B 83 0.077 10.463 -10.358 1.00 0.00 H new ATOM 0 HB3 LYS B 83 1.658 11.100 -10.765 1.00 0.00 H new ATOM 0 HG2 LYS B 83 1.916 9.363 -12.531 1.00 0.00 H new ATOM 0 HG3 LYS B 83 0.353 8.691 -12.112 1.00 0.00 H new ATOM 0 HD2 LYS B 83 -0.748 10.837 -12.745 1.00 0.00 H new ATOM 0 HD3 LYS B 83 0.813 11.525 -13.146 1.00 0.00 H new ATOM 0 HE2 LYS B 83 -0.189 10.902 -15.222 1.00 0.00 H new ATOM 0 HE3 LYS B 83 1.073 9.723 -14.922 1.00 0.00 H new ATOM 0 HZ1 LYS B 83 -0.933 8.682 -15.701 1.00 0.00 H new ATOM 0 HZ2 LYS B 83 -0.598 8.182 -14.113 1.00 0.00 H new ATOM 0 HZ3 LYS B 83 -1.820 9.325 -14.404 1.00 0.00 H new ATOM 2666 N ALA B 84 2.522 10.698 -7.978 1.00 0.00 N ATOM 2667 CA ALA B 84 3.329 11.494 -7.043 1.00 0.00 C ATOM 2668 C ALA B 84 4.378 10.710 -6.228 1.00 0.00 C ATOM 2669 O ALA B 84 5.540 11.125 -6.226 1.00 0.00 O ATOM 2670 CB ALA B 84 2.241 12.065 -6.134 1.00 0.00 C ATOM 0 H ALA B 84 1.528 10.795 -7.770 1.00 0.00 H new ATOM 0 HA ALA B 84 3.952 12.220 -7.565 1.00 0.00 H new ATOM 0 HB1 ALA B 84 2.698 12.694 -5.370 1.00 0.00 H new ATOM 0 HB2 ALA B 84 1.547 12.661 -6.727 1.00 0.00 H new ATOM 0 HB3 ALA B 84 1.700 11.248 -5.656 1.00 0.00 H new ATOM 2676 N LEU B 85 3.996 9.596 -5.546 1.00 0.00 N ATOM 2677 CA LEU B 85 4.981 8.651 -4.985 1.00 0.00 C ATOM 2678 C LEU B 85 5.848 8.041 -6.144 1.00 0.00 C ATOM 2679 O LEU B 85 7.059 7.947 -5.965 1.00 0.00 O ATOM 2680 CB LEU B 85 4.307 7.580 -4.074 1.00 0.00 C ATOM 2681 CG LEU B 85 5.322 6.562 -3.508 1.00 0.00 C ATOM 2682 CD1 LEU B 85 6.245 7.075 -2.390 1.00 0.00 C ATOM 2683 CD2 LEU B 85 4.664 5.233 -3.095 1.00 0.00 C ATOM 0 H LEU B 85 3.024 9.339 -5.377 1.00 0.00 H new ATOM 0 HA LEU B 85 5.660 9.190 -4.324 1.00 0.00 H new ATOM 0 HB2 LEU B 85 3.798 8.078 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU B 85 3.545 7.049 -4.645 1.00 0.00 H new ATOM 0 HG LEU B 85 5.978 6.387 -4.360 1.00 0.00 H new ATOM 0 HD11 LEU B 85 6.913 6.274 -2.073 1.00 0.00 H new ATOM 0 HD12 LEU B 85 6.835 7.913 -2.761 1.00 0.00 H new ATOM 0 HD13 LEU B 85 5.643 7.402 -1.542 1.00 0.00 H new ATOM 0 HD21 LEU B 85 5.424 4.556 -2.705 1.00 0.00 H new ATOM 0 HD22 LEU B 85 3.916 5.421 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU B 85 4.185 4.779 -3.963 1.00 0.00 H new ATOM 2695 N LYS B 86 5.264 7.642 -7.293 1.00 0.00 N ATOM 2696 CA LYS B 86 6.038 7.194 -8.491 1.00 0.00 C ATOM 2697 C LYS B 86 7.158 8.185 -8.982 1.00 0.00 C ATOM 2698 O LYS B 86 8.126 7.736 -9.594 1.00 0.00 O ATOM 2699 CB LYS B 86 5.078 6.740 -9.622 1.00 0.00 C ATOM 2700 CG LYS B 86 5.670 5.673 -10.566 1.00 0.00 C ATOM 2701 CD LYS B 86 4.660 5.173 -11.616 1.00 0.00 C ATOM 2702 CE LYS B 86 5.255 4.089 -12.534 1.00 0.00 C ATOM 2703 NZ LYS B 86 4.268 3.618 -13.521 1.00 0.00 N ATOM 0 H LYS B 86 4.253 7.618 -7.426 1.00 0.00 H new ATOM 0 HA LYS B 86 6.616 6.329 -8.165 1.00 0.00 H new ATOM 0 HB2 LYS B 86 4.167 6.345 -9.173 1.00 0.00 H new ATOM 0 HB3 LYS B 86 4.792 7.611 -10.211 1.00 0.00 H new ATOM 0 HG2 LYS B 86 6.540 6.088 -11.075 1.00 0.00 H new ATOM 0 HG3 LYS B 86 6.021 4.827 -9.975 1.00 0.00 H new ATOM 0 HD2 LYS B 86 3.781 4.774 -11.110 1.00 0.00 H new ATOM 0 HD3 LYS B 86 4.324 6.014 -12.222 1.00 0.00 H new ATOM 0 HE2 LYS B 86 6.127 4.488 -13.052 1.00 0.00 H new ATOM 0 HE3 LYS B 86 5.598 3.248 -11.931 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 4.700 2.889 -14.123 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 3.447 3.216 -13.026 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 3.959 4.417 -14.112 1.00 0.00 H new ATOM 2716 N ASP B 87 7.040 9.496 -8.685 1.00 0.00 N ATOM 2717 CA ASP B 87 8.097 10.512 -8.886 1.00 0.00 C ATOM 2718 C ASP B 87 9.117 10.585 -7.701 1.00 0.00 C ATOM 2719 O ASP B 87 10.315 10.729 -7.956 1.00 0.00 O ATOM 2720 CB ASP B 87 7.354 11.852 -9.133 1.00 0.00 C ATOM 2721 CG ASP B 87 7.857 12.606 -10.367 1.00 0.00 C ATOM 2722 OD1 ASP B 87 8.672 13.526 -10.310 1.00 0.00 O ATOM 2723 OD2 ASP B 87 7.302 12.132 -11.528 1.00 0.00 O ATOM 0 H ASP B 87 6.186 9.888 -8.289 1.00 0.00 H new ATOM 0 HA ASP B 87 8.726 10.253 -9.738 1.00 0.00 H new ATOM 0 HB2 ASP B 87 6.288 11.653 -9.247 1.00 0.00 H new ATOM 0 HB3 ASP B 87 7.467 12.489 -8.256 1.00 0.00 H new ATOM 2729 N ALA B 88 8.658 10.498 -6.428 1.00 0.00 N ATOM 2730 CA ALA B 88 9.542 10.349 -5.232 1.00 0.00 C ATOM 2731 C ALA B 88 10.562 9.171 -5.257 1.00 0.00 C ATOM 2732 O ALA B 88 11.669 9.276 -4.722 1.00 0.00 O ATOM 2733 CB ALA B 88 8.647 10.041 -4.000 1.00 0.00 C ATOM 0 H ALA B 88 7.665 10.529 -6.195 1.00 0.00 H new ATOM 0 HA ALA B 88 10.103 11.283 -5.207 1.00 0.00 H new ATOM 0 HB1 ALA B 88 9.273 9.928 -3.115 1.00 0.00 H new ATOM 0 HB2 ALA B 88 7.945 10.861 -3.846 1.00 0.00 H new ATOM 0 HB3 ALA B 88 8.094 9.118 -4.174 1.00 0.00 H new ATOM 2739 N VAL B 89 10.137 8.053 -5.865 1.00 0.00 N ATOM 2740 CA VAL B 89 10.793 6.748 -5.809 1.00 0.00 C ATOM 2741 C VAL B 89 11.630 6.319 -7.062 1.00 0.00 C ATOM 2742 O VAL B 89 12.358 5.326 -6.985 1.00 0.00 O ATOM 2743 CB VAL B 89 9.494 5.912 -5.514 1.00 0.00 C ATOM 2744 CG1 VAL B 89 8.724 5.483 -6.768 1.00 0.00 C ATOM 2745 CG2 VAL B 89 9.796 4.723 -4.653 1.00 0.00 C ATOM 0 H VAL B 89 9.290 8.039 -6.432 1.00 0.00 H new ATOM 0 HA VAL B 89 11.609 6.652 -5.092 1.00 0.00 H new ATOM 0 HB VAL B 89 8.835 6.591 -4.973 1.00 0.00 H new ATOM 0 HG11 VAL B 89 7.843 4.912 -6.476 1.00 0.00 H new ATOM 0 HG12 VAL B 89 8.415 6.367 -7.325 1.00 0.00 H new ATOM 0 HG13 VAL B 89 9.366 4.865 -7.395 1.00 0.00 H new ATOM 0 HG21 VAL B 89 8.878 4.166 -4.467 1.00 0.00 H new ATOM 0 HG22 VAL B 89 10.515 4.079 -5.160 1.00 0.00 H new ATOM 0 HG23 VAL B 89 10.216 5.058 -3.704 1.00 0.00 H new ATOM 2755 N LYS B 90 11.509 7.048 -8.191 1.00 0.00 N ATOM 2756 CA LYS B 90 12.134 6.696 -9.483 1.00 0.00 C ATOM 2757 C LYS B 90 13.675 6.777 -9.524 1.00 0.00 C ATOM 2758 O LYS B 90 14.291 7.733 -9.050 1.00 0.00 O ATOM 2759 CB LYS B 90 11.414 7.498 -10.594 1.00 0.00 C ATOM 2760 CG LYS B 90 11.731 9.005 -10.740 1.00 0.00 C ATOM 2761 CD LYS B 90 10.886 9.691 -11.835 1.00 0.00 C ATOM 2762 CE LYS B 90 11.045 11.222 -11.910 1.00 0.00 C ATOM 2763 NZ LYS B 90 12.360 11.650 -12.424 1.00 0.00 N ATOM 0 H LYS B 90 10.966 7.911 -8.231 1.00 0.00 H new ATOM 0 HA LYS B 90 11.989 5.629 -9.654 1.00 0.00 H new ATOM 0 HB2 LYS B 90 11.638 7.018 -11.547 1.00 0.00 H new ATOM 0 HB3 LYS B 90 10.341 7.399 -10.432 1.00 0.00 H new ATOM 0 HG2 LYS B 90 11.555 9.503 -9.786 1.00 0.00 H new ATOM 0 HG3 LYS B 90 12.789 9.128 -10.973 1.00 0.00 H new ATOM 0 HD2 LYS B 90 11.154 9.264 -12.802 1.00 0.00 H new ATOM 0 HD3 LYS B 90 9.835 9.457 -11.663 1.00 0.00 H new ATOM 0 HE2 LYS B 90 10.263 11.630 -12.550 1.00 0.00 H new ATOM 0 HE3 LYS B 90 10.897 11.644 -10.916 1.00 0.00 H new ATOM 0 HZ1 LYS B 90 12.402 12.689 -12.449 1.00 0.00 H new ATOM 0 HZ2 LYS B 90 13.111 11.288 -11.801 1.00 0.00 H new ATOM 0 HZ3 LYS B 90 12.496 11.275 -13.384 1.00 0.00 H new