USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 838 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 81 ASN : amide:sc= 1.21 K(o=2.3,f=0.48) USER MOD Set 1.2: B 83 SER OG : rot 96:sc= 0.171 USER MOD Set 1.3: B 84 THR OG1 : rot 44:sc= 0.952 USER MOD Set 2.1: B 54 LYS NZ :NH3+ 154:sc= 0.924 (180deg=-0.473) USER MOD Set 2.2: B 66 GLN : amide:sc= -2.38! C(o=-9.8!,f=-15!) USER MOD Set 2.3: B 76 ASN : amide:sc= -8.36! C(o=-9.8!,f=-13!) USER MOD Set 3.1: B 45 HIS : no HE2:sc= -2.01! C(o=-1.9!,f=-5!) USER MOD Set 3.2: B 75 THR OG1 : rot -163:sc= 0.0851 USER MOD Set 4.1: B 17 GLN : amide:sc= 0.39 K(o=1.5,f=-11!) USER MOD Set 4.2: B 18 LYS NZ :NH3+ -123:sc= 1.16 (180deg=-0.0359) USER MOD Single : A 404 ASN : amide:sc= 0.0455 X(o=0.046,f=-0.0038) USER MOD Single : B 13 LYS NZ :NH3+ -179:sc= 2.38 (180deg=2.31) USER MOD Single : B 14 LYS NZ :NH3+ 156:sc= 0.625! (180deg=-0.368!) USER MOD Single : B 19 LYS NZ :NH3+ 166:sc= -0.0297 (180deg=-0.292) USER MOD Single : B 20 GLN :FLIP amide:sc= -0.0977 F(o=-0.94,f=-0.098) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl -129:sc= -1.13 (180deg=-3.47!) USER MOD Single : B 38 LYS NZ :NH3+ -166:sc= 1.35 (180deg=0.933) USER MOD Single : B 42 THR OG1 : rot 90:sc= -0.605 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl -157:sc= -0.174 (180deg=-0.784) USER MOD Single : B 47 TYR OH : rot -33:sc= 0.915 USER MOD Single : B 51 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0213) USER MOD Single : B 52 CYS SG : rot 180:sc= -3.22! USER MOD Single : B 53 GLN : amide:sc= -1.27 K(o=-1.3,f=-3.1!) USER MOD Single : B 56 SER OG : rot 168:sc= -1.56! USER MOD Single : B 60 LYS NZ :NH3+ 162:sc= 1.43 (180deg=-0.385!) USER MOD Single : B 62 LYS NZ :NH3+ -150:sc= 0.674 (180deg=-1.88!) USER MOD Single : B 64 GLN : amide:sc= -3.04! C(o=-3!,f=-2.6!) USER MOD Single : B 70 HIS : no HE2:sc= -5.96! C(o=-6!,f=-9.2!) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS : no HD1:sc= -9.03! C(o=-9!,f=-11!) USER MOD Single : B 80 SER OG : rot 177:sc= 1.31 USER MOD Single : B 87 LYS NZ :NH3+ -176:sc= 1.17 (180deg=1.16) USER MOD Single : B 93 LYS NZ :NH3+ -148:sc= 2.32 (180deg=2.09) USER MOD Single : B 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 98 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : B 102 LYS NZ :NH3+ -143:sc= 1.13 (180deg=-1.18) USER MOD ----------------------------------------------------------------- ATOM 101 N GLU A 399 1.517 12.900 11.803 1.00 0.00 N ATOM 102 CA GLU A 399 0.425 12.668 12.739 1.00 0.00 C ATOM 103 C GLU A 399 -0.353 11.446 12.286 1.00 0.00 C ATOM 104 O GLU A 399 -1.003 11.467 11.248 1.00 0.00 O ATOM 105 CB GLU A 399 -0.494 13.892 12.809 1.00 0.00 C ATOM 106 CG GLU A 399 -0.954 14.387 11.448 1.00 0.00 C ATOM 107 CD GLU A 399 -1.245 15.871 11.410 1.00 0.00 C ATOM 108 OE1 GLU A 399 -0.406 16.623 10.869 1.00 0.00 O ATOM 109 OE2 GLU A 399 -2.319 16.280 11.891 1.00 0.00 O ATOM 0 HA GLU A 399 0.829 12.497 13.737 1.00 0.00 H new ATOM 0 HB2 GLU A 399 -1.369 13.645 13.411 1.00 0.00 H new ATOM 0 HB3 GLU A 399 0.029 14.699 13.322 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -0.187 14.157 10.709 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -1.852 13.842 11.157 1.00 0.00 H new ATOM 116 N ASP A 400 -0.299 10.382 13.054 1.00 0.00 N ATOM 117 CA ASP A 400 -0.969 9.160 12.653 1.00 0.00 C ATOM 118 C ASP A 400 -1.574 8.412 13.833 1.00 0.00 C ATOM 119 O ASP A 400 -0.961 7.501 14.386 1.00 0.00 O ATOM 120 CB ASP A 400 0.034 8.260 11.934 1.00 0.00 C ATOM 121 CG ASP A 400 1.481 8.607 12.274 1.00 0.00 C ATOM 122 OD1 ASP A 400 2.194 9.115 11.383 1.00 0.00 O ATOM 123 OD2 ASP A 400 1.898 8.396 13.436 1.00 0.00 O ATOM 0 H ASP A 400 0.193 10.334 13.946 1.00 0.00 H new ATOM 0 HA ASP A 400 -1.791 9.431 11.991 1.00 0.00 H new ATOM 0 HB2 ASP A 400 -0.159 7.221 12.201 1.00 0.00 H new ATOM 0 HB3 ASP A 400 -0.113 8.345 10.857 1.00 0.00 H new ATOM 128 N ASP A 401 -2.776 8.801 14.220 1.00 0.00 N ATOM 129 CA ASP A 401 -3.453 8.156 15.348 1.00 0.00 C ATOM 130 C ASP A 401 -4.940 7.936 15.100 1.00 0.00 C ATOM 131 O ASP A 401 -5.452 6.850 15.360 1.00 0.00 O ATOM 132 CB ASP A 401 -3.238 8.960 16.639 1.00 0.00 C ATOM 133 CG ASP A 401 -3.789 10.379 16.560 1.00 0.00 C ATOM 134 OD1 ASP A 401 -3.818 10.958 15.445 1.00 0.00 O ATOM 135 OD2 ASP A 401 -4.187 10.923 17.605 1.00 0.00 O ATOM 0 H ASP A 401 -3.306 9.553 13.779 1.00 0.00 H new ATOM 0 HA ASP A 401 -3.003 7.170 15.459 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -3.714 8.438 17.469 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -2.171 9.003 16.860 1.00 0.00 H new ATOM 140 N ASP A 402 -5.630 8.950 14.587 1.00 0.00 N ATOM 141 CA ASP A 402 -7.066 8.837 14.297 1.00 0.00 C ATOM 142 C ASP A 402 -7.290 7.950 13.082 1.00 0.00 C ATOM 143 O ASP A 402 -8.390 7.870 12.538 1.00 0.00 O ATOM 144 CB ASP A 402 -7.702 10.212 14.065 1.00 0.00 C ATOM 145 CG ASP A 402 -6.946 11.063 13.063 1.00 0.00 C ATOM 146 OD1 ASP A 402 -6.977 12.302 13.206 1.00 0.00 O ATOM 147 OD2 ASP A 402 -6.290 10.505 12.154 1.00 0.00 O ATOM 0 H ASP A 402 -5.225 9.859 14.362 1.00 0.00 H new ATOM 0 HA ASP A 402 -7.545 8.386 15.166 1.00 0.00 H new ATOM 0 HB2 ASP A 402 -8.726 10.077 13.716 1.00 0.00 H new ATOM 0 HB3 ASP A 402 -7.756 10.744 15.015 1.00 0.00 H new ATOM 152 N PHE A 403 -6.223 7.289 12.681 1.00 0.00 N ATOM 153 CA PHE A 403 -6.212 6.390 11.573 1.00 0.00 C ATOM 154 C PHE A 403 -7.233 5.275 11.782 1.00 0.00 C ATOM 155 O PHE A 403 -7.074 4.429 12.661 1.00 0.00 O ATOM 156 CB PHE A 403 -4.810 5.838 11.488 1.00 0.00 C ATOM 157 CG PHE A 403 -4.053 6.257 10.285 1.00 0.00 C ATOM 158 CD1 PHE A 403 -2.784 6.778 10.405 1.00 0.00 C ATOM 159 CD2 PHE A 403 -4.599 6.097 9.034 1.00 0.00 C ATOM 160 CE1 PHE A 403 -2.069 7.129 9.286 1.00 0.00 C ATOM 161 CE2 PHE A 403 -3.896 6.450 7.910 1.00 0.00 C ATOM 162 CZ PHE A 403 -2.624 6.965 8.037 1.00 0.00 C ATOM 0 H PHE A 403 -5.316 7.374 13.140 1.00 0.00 H new ATOM 0 HA PHE A 403 -6.485 6.894 10.646 1.00 0.00 H new ATOM 0 HB2 PHE A 403 -4.257 6.148 12.375 1.00 0.00 H new ATOM 0 HB3 PHE A 403 -4.861 4.749 11.508 1.00 0.00 H new ATOM 0 HD1 PHE A 403 -2.349 6.911 11.384 1.00 0.00 H new ATOM 0 HD2 PHE A 403 -5.594 5.688 8.935 1.00 0.00 H new ATOM 0 HE1 PHE A 403 -1.072 7.533 9.386 1.00 0.00 H new ATOM 0 HE2 PHE A 403 -4.337 6.325 6.932 1.00 0.00 H new ATOM 0 HZ PHE A 403 -2.062 7.240 7.156 1.00 0.00 H new ATOM 172 N ASN A 404 -8.267 5.276 10.962 1.00 0.00 N ATOM 173 CA ASN A 404 -9.343 4.299 11.074 1.00 0.00 C ATOM 174 C ASN A 404 -9.178 3.175 10.067 1.00 0.00 C ATOM 175 O ASN A 404 -8.867 3.418 8.900 1.00 0.00 O ATOM 176 CB ASN A 404 -10.699 4.974 10.855 1.00 0.00 C ATOM 177 CG ASN A 404 -11.294 5.546 12.127 1.00 0.00 C ATOM 178 OD1 ASN A 404 -12.060 4.880 12.822 1.00 0.00 O ATOM 179 ND2 ASN A 404 -10.948 6.785 12.441 1.00 0.00 N ATOM 0 H ASN A 404 -8.388 5.947 10.204 1.00 0.00 H new ATOM 0 HA ASN A 404 -9.298 3.877 12.078 1.00 0.00 H new ATOM 0 HB2 ASN A 404 -10.585 5.774 10.123 1.00 0.00 H new ATOM 0 HB3 ASN A 404 -11.394 4.249 10.430 1.00 0.00 H new ATOM 0 HD21 ASN A 404 -11.320 7.220 13.286 1.00 0.00 H new ATOM 0 HD22 ASN A 404 -10.310 7.305 11.838 1.00 0.00 H new ATOM 361 N VAL B 8 -1.118 -0.460 -13.660 1.00 0.00 N ATOM 362 CA VAL B 8 -1.424 0.651 -12.770 1.00 0.00 C ATOM 363 C VAL B 8 -2.890 1.015 -12.902 1.00 0.00 C ATOM 364 O VAL B 8 -3.338 1.462 -13.956 1.00 0.00 O ATOM 365 CB VAL B 8 -0.573 1.897 -13.084 1.00 0.00 C ATOM 366 CG1 VAL B 8 -1.007 3.065 -12.212 1.00 0.00 C ATOM 367 CG2 VAL B 8 0.908 1.602 -12.893 1.00 0.00 C ATOM 0 HA VAL B 8 -1.194 0.330 -11.754 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.730 2.168 -14.128 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -0.398 3.938 -12.444 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.056 3.293 -12.404 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -0.879 2.802 -11.162 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.489 2.496 -13.120 1.00 0.00 H new ATOM 0 HG22 VAL B 8 1.089 1.304 -11.860 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.207 0.795 -13.561 1.00 0.00 H new ATOM 377 N LEU B 9 -3.632 0.801 -11.831 1.00 0.00 N ATOM 378 CA LEU B 9 -5.052 1.089 -11.828 1.00 0.00 C ATOM 379 C LEU B 9 -5.334 2.472 -11.255 1.00 0.00 C ATOM 380 O LEU B 9 -6.316 3.115 -11.621 1.00 0.00 O ATOM 381 CB LEU B 9 -5.810 0.027 -11.021 1.00 0.00 C ATOM 382 CG LEU B 9 -5.418 -1.429 -11.301 1.00 0.00 C ATOM 383 CD1 LEU B 9 -6.197 -2.370 -10.398 1.00 0.00 C ATOM 384 CD2 LEU B 9 -5.653 -1.779 -12.764 1.00 0.00 C ATOM 0 H LEU B 9 -3.273 0.428 -10.952 1.00 0.00 H new ATOM 0 HA LEU B 9 -5.397 1.070 -12.862 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -5.658 0.227 -9.960 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -6.876 0.141 -11.217 1.00 0.00 H new ATOM 0 HG LEU B 9 -4.355 -1.544 -11.089 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -5.908 -3.399 -10.609 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -5.979 -2.138 -9.356 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -7.265 -2.249 -10.581 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -5.368 -2.816 -12.940 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.708 -1.646 -13.005 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -5.052 -1.125 -13.396 1.00 0.00 H new ATOM 396 N LEU B 10 -4.474 2.930 -10.356 1.00 0.00 N ATOM 397 CA LEU B 10 -4.667 4.231 -9.735 1.00 0.00 C ATOM 398 C LEU B 10 -3.371 5.022 -9.627 1.00 0.00 C ATOM 399 O LEU B 10 -2.325 4.478 -9.275 1.00 0.00 O ATOM 400 CB LEU B 10 -5.244 4.049 -8.337 1.00 0.00 C ATOM 401 CG LEU B 10 -5.660 5.344 -7.630 1.00 0.00 C ATOM 402 CD1 LEU B 10 -7.106 5.697 -7.916 1.00 0.00 C ATOM 403 CD2 LEU B 10 -5.447 5.226 -6.139 1.00 0.00 C ATOM 0 H LEU B 10 -3.644 2.426 -10.043 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.353 4.791 -10.371 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -6.113 3.394 -8.402 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -4.505 3.538 -7.720 1.00 0.00 H new ATOM 0 HG LEU B 10 -5.032 6.144 -8.021 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -7.364 6.621 -7.398 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -7.242 5.832 -8.989 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -7.753 4.892 -7.567 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -5.748 6.155 -5.654 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -6.046 4.403 -5.750 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.393 5.035 -5.936 1.00 0.00 H new ATOM 415 N ILE B 11 -3.458 6.309 -9.935 1.00 0.00 N ATOM 416 CA ILE B 11 -2.320 7.205 -9.826 1.00 0.00 C ATOM 417 C ILE B 11 -2.683 8.350 -8.901 1.00 0.00 C ATOM 418 O ILE B 11 -3.575 9.150 -9.202 1.00 0.00 O ATOM 419 CB ILE B 11 -1.873 7.795 -11.177 1.00 0.00 C ATOM 420 CG1 ILE B 11 -1.503 6.681 -12.159 1.00 0.00 C ATOM 421 CG2 ILE B 11 -0.695 8.739 -10.954 1.00 0.00 C ATOM 422 CD1 ILE B 11 -1.171 7.180 -13.549 1.00 0.00 C ATOM 0 H ILE B 11 -4.313 6.756 -10.265 1.00 0.00 H new ATOM 0 HA ILE B 11 -1.490 6.614 -9.439 1.00 0.00 H new ATOM 0 HB ILE B 11 -2.699 8.357 -11.613 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.648 6.132 -11.766 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.332 5.976 -12.224 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -0.378 9.157 -11.909 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -0.997 9.546 -10.287 1.00 0.00 H new ATOM 0 HG23 ILE B 11 0.133 8.189 -10.506 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.919 6.334 -14.189 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -2.033 7.704 -13.963 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -0.322 7.862 -13.498 1.00 0.00 H new ATOM 434 N VAL B 12 -1.995 8.436 -7.786 1.00 0.00 N ATOM 435 CA VAL B 12 -2.259 9.471 -6.816 1.00 0.00 C ATOM 436 C VAL B 12 -1.181 10.526 -6.877 1.00 0.00 C ATOM 437 O VAL B 12 -0.031 10.237 -7.203 1.00 0.00 O ATOM 438 CB VAL B 12 -2.344 8.902 -5.395 1.00 0.00 C ATOM 439 CG1 VAL B 12 -3.044 9.876 -4.473 1.00 0.00 C ATOM 440 CG2 VAL B 12 -3.063 7.568 -5.405 1.00 0.00 C ATOM 0 H VAL B 12 -1.243 7.796 -7.528 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.223 9.917 -7.061 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.331 8.747 -5.023 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.095 9.454 -3.469 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.489 10.814 -4.445 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.053 10.063 -4.839 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.116 7.176 -4.389 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.072 7.701 -5.796 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.519 6.866 -6.037 1.00 0.00 H new ATOM 450 N LYS B 13 -1.556 11.746 -6.570 1.00 0.00 N ATOM 451 CA LYS B 13 -0.626 12.851 -6.606 1.00 0.00 C ATOM 452 C LYS B 13 -0.301 13.286 -5.194 1.00 0.00 C ATOM 453 O LYS B 13 -0.947 12.830 -4.257 1.00 0.00 O ATOM 454 CB LYS B 13 -1.199 14.021 -7.413 1.00 0.00 C ATOM 455 CG LYS B 13 -1.033 13.870 -8.924 1.00 0.00 C ATOM 456 CD LYS B 13 -1.729 12.626 -9.466 1.00 0.00 C ATOM 457 CE LYS B 13 -3.226 12.838 -9.622 1.00 0.00 C ATOM 458 NZ LYS B 13 -4.027 11.864 -8.824 1.00 0.00 N ATOM 0 H LYS B 13 -2.504 11.999 -6.291 1.00 0.00 H new ATOM 0 HA LYS B 13 0.290 12.525 -7.099 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -2.259 14.124 -7.182 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -0.712 14.943 -7.094 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -1.435 14.753 -9.421 1.00 0.00 H new ATOM 0 HG3 LYS B 13 0.029 13.824 -9.167 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -1.297 12.360 -10.431 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -1.549 11.787 -8.794 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -3.480 13.852 -9.313 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -3.495 12.748 -10.675 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.040 12.040 -8.978 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -3.794 10.896 -9.123 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.805 11.977 -7.814 1.00 0.00 H new ATOM 472 N LYS B 14 0.657 14.207 -5.094 1.00 0.00 N ATOM 473 CA LYS B 14 1.163 14.758 -3.826 1.00 0.00 C ATOM 474 C LYS B 14 0.828 13.896 -2.612 1.00 0.00 C ATOM 475 O LYS B 14 -0.155 14.127 -1.906 1.00 0.00 O ATOM 476 CB LYS B 14 0.629 16.176 -3.616 1.00 0.00 C ATOM 477 CG LYS B 14 1.478 17.251 -4.274 1.00 0.00 C ATOM 478 CD LYS B 14 1.273 18.604 -3.608 1.00 0.00 C ATOM 479 CE LYS B 14 -0.119 19.155 -3.870 1.00 0.00 C ATOM 480 NZ LYS B 14 -0.520 20.153 -2.844 1.00 0.00 N ATOM 0 H LYS B 14 1.119 14.605 -5.912 1.00 0.00 H new ATOM 0 HA LYS B 14 2.250 14.772 -3.911 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -0.386 16.235 -4.010 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.568 16.377 -2.546 1.00 0.00 H new ATOM 0 HG2 LYS B 14 2.530 16.971 -4.218 1.00 0.00 H new ATOM 0 HG3 LYS B 14 1.223 17.322 -5.331 1.00 0.00 H new ATOM 0 HD2 LYS B 14 1.430 18.508 -2.534 1.00 0.00 H new ATOM 0 HD3 LYS B 14 2.018 19.308 -3.978 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -0.147 19.617 -4.857 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -0.838 18.336 -3.881 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -1.243 20.787 -3.240 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -0.908 19.661 -2.014 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 0.310 20.711 -2.559 1.00 0.00 H new ATOM 494 N VAL B 15 1.645 12.877 -2.418 1.00 0.00 N ATOM 495 CA VAL B 15 1.505 11.957 -1.300 1.00 0.00 C ATOM 496 C VAL B 15 2.845 11.829 -0.586 1.00 0.00 C ATOM 497 O VAL B 15 3.846 11.487 -1.205 1.00 0.00 O ATOM 498 CB VAL B 15 1.027 10.558 -1.761 1.00 0.00 C ATOM 499 CG1 VAL B 15 1.235 9.522 -0.667 1.00 0.00 C ATOM 500 CG2 VAL B 15 -0.435 10.596 -2.168 1.00 0.00 C ATOM 0 H VAL B 15 2.429 12.662 -3.034 1.00 0.00 H new ATOM 0 HA VAL B 15 0.750 12.359 -0.624 1.00 0.00 H new ATOM 0 HB VAL B 15 1.625 10.272 -2.626 1.00 0.00 H new ATOM 0 HG11 VAL B 15 0.891 8.549 -1.017 1.00 0.00 H new ATOM 0 HG12 VAL B 15 2.294 9.464 -0.417 1.00 0.00 H new ATOM 0 HG13 VAL B 15 0.669 9.810 0.219 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -0.749 9.603 -2.488 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -1.041 10.912 -1.319 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -0.566 11.300 -2.989 1.00 0.00 H new ATOM 510 N ARG B 16 2.861 12.111 0.705 1.00 0.00 N ATOM 511 CA ARG B 16 4.084 12.038 1.484 1.00 0.00 C ATOM 512 C ARG B 16 4.195 10.735 2.259 1.00 0.00 C ATOM 513 O ARG B 16 3.206 10.214 2.777 1.00 0.00 O ATOM 514 CB ARG B 16 4.162 13.197 2.474 1.00 0.00 C ATOM 515 CG ARG B 16 4.286 14.561 1.832 1.00 0.00 C ATOM 516 CD ARG B 16 3.750 15.649 2.744 1.00 0.00 C ATOM 517 NE ARG B 16 4.754 16.155 3.688 1.00 0.00 N ATOM 518 CZ ARG B 16 4.942 15.676 4.926 1.00 0.00 C ATOM 519 NH1 ARG B 16 4.372 14.535 5.305 1.00 0.00 N ATOM 520 NH2 ARG B 16 5.748 16.315 5.764 1.00 0.00 N ATOM 0 H ARG B 16 2.038 12.394 1.237 1.00 0.00 H new ATOM 0 HA ARG B 16 4.907 12.092 0.771 1.00 0.00 H new ATOM 0 HB2 ARG B 16 3.270 13.184 3.101 1.00 0.00 H new ATOM 0 HB3 ARG B 16 5.017 13.040 3.132 1.00 0.00 H new ATOM 0 HG2 ARG B 16 5.331 14.762 1.598 1.00 0.00 H new ATOM 0 HG3 ARG B 16 3.740 14.572 0.889 1.00 0.00 H new ATOM 0 HD2 ARG B 16 3.382 16.476 2.136 1.00 0.00 H new ATOM 0 HD3 ARG B 16 2.898 15.260 3.302 1.00 0.00 H new ATOM 0 HE ARG B 16 5.350 16.924 3.381 1.00 0.00 H new ATOM 0 HH11 ARG B 16 3.786 14.016 4.651 1.00 0.00 H new ATOM 0 HH12 ARG B 16 4.521 14.179 6.249 1.00 0.00 H new ATOM 0 HH21 ARG B 16 6.222 17.167 5.466 1.00 0.00 H new ATOM 0 HH22 ARG B 16 5.894 15.954 6.707 1.00 0.00 H new ATOM 534 N GLN B 17 5.406 10.215 2.311 1.00 0.00 N ATOM 535 CA GLN B 17 5.709 9.009 3.058 1.00 0.00 C ATOM 536 C GLN B 17 6.962 9.268 3.890 1.00 0.00 C ATOM 537 O GLN B 17 8.078 9.332 3.368 1.00 0.00 O ATOM 538 CB GLN B 17 5.858 7.800 2.112 1.00 0.00 C ATOM 539 CG GLN B 17 6.887 6.739 2.523 1.00 0.00 C ATOM 540 CD GLN B 17 6.616 6.071 3.867 1.00 0.00 C ATOM 541 OE1 GLN B 17 7.533 5.546 4.499 1.00 0.00 O ATOM 542 NE2 GLN B 17 5.374 6.079 4.318 1.00 0.00 N ATOM 0 H GLN B 17 6.212 10.619 1.834 1.00 0.00 H new ATOM 0 HA GLN B 17 4.890 8.758 3.732 1.00 0.00 H new ATOM 0 HB2 GLN B 17 4.886 7.316 2.019 1.00 0.00 H new ATOM 0 HB3 GLN B 17 6.125 8.171 1.122 1.00 0.00 H new ATOM 0 HG2 GLN B 17 6.923 5.970 1.752 1.00 0.00 H new ATOM 0 HG3 GLN B 17 7.873 7.203 2.556 1.00 0.00 H new ATOM 0 HE21 GLN B 17 4.636 6.522 3.771 1.00 0.00 H new ATOM 0 HE22 GLN B 17 5.154 5.642 5.213 1.00 0.00 H new ATOM 551 N LYS B 18 6.731 9.482 5.179 1.00 0.00 N ATOM 552 CA LYS B 18 7.781 9.752 6.154 1.00 0.00 C ATOM 553 C LYS B 18 8.492 11.073 5.878 1.00 0.00 C ATOM 554 O LYS B 18 9.709 11.112 5.697 1.00 0.00 O ATOM 555 CB LYS B 18 8.770 8.590 6.240 1.00 0.00 C ATOM 556 CG LYS B 18 8.165 7.389 6.934 1.00 0.00 C ATOM 557 CD LYS B 18 9.177 6.300 7.214 1.00 0.00 C ATOM 558 CE LYS B 18 8.522 5.147 7.956 1.00 0.00 C ATOM 559 NZ LYS B 18 7.602 4.368 7.082 1.00 0.00 N ATOM 0 H LYS B 18 5.795 9.473 5.583 1.00 0.00 H new ATOM 0 HA LYS B 18 7.299 9.849 7.127 1.00 0.00 H new ATOM 0 HB2 LYS B 18 9.088 8.308 5.236 1.00 0.00 H new ATOM 0 HB3 LYS B 18 9.662 8.910 6.779 1.00 0.00 H new ATOM 0 HG2 LYS B 18 7.713 7.708 7.873 1.00 0.00 H new ATOM 0 HG3 LYS B 18 7.364 6.984 6.316 1.00 0.00 H new ATOM 0 HD2 LYS B 18 9.604 5.942 6.277 1.00 0.00 H new ATOM 0 HD3 LYS B 18 9.999 6.702 7.806 1.00 0.00 H new ATOM 0 HE2 LYS B 18 9.293 4.485 8.350 1.00 0.00 H new ATOM 0 HE3 LYS B 18 7.968 5.535 8.811 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 6.651 4.355 7.503 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 7.558 4.811 6.142 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 7.953 3.393 6.990 1.00 0.00 H new ATOM 573 N LYS B 19 7.699 12.147 5.830 1.00 0.00 N ATOM 574 CA LYS B 19 8.208 13.505 5.624 1.00 0.00 C ATOM 575 C LYS B 19 8.760 13.706 4.212 1.00 0.00 C ATOM 576 O LYS B 19 9.569 14.602 3.980 1.00 0.00 O ATOM 577 CB LYS B 19 9.296 13.840 6.662 1.00 0.00 C ATOM 578 CG LYS B 19 8.777 14.450 7.960 1.00 0.00 C ATOM 579 CD LYS B 19 8.154 13.408 8.885 1.00 0.00 C ATOM 580 CE LYS B 19 7.886 13.969 10.270 1.00 0.00 C ATOM 581 NZ LYS B 19 7.256 15.313 10.212 1.00 0.00 N ATOM 0 H LYS B 19 6.685 12.099 5.933 1.00 0.00 H new ATOM 0 HA LYS B 19 7.364 14.183 5.752 1.00 0.00 H new ATOM 0 HB2 LYS B 19 9.844 12.928 6.899 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.008 14.532 6.211 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.597 14.947 8.478 1.00 0.00 H new ATOM 0 HG3 LYS B 19 8.036 15.215 7.728 1.00 0.00 H new ATOM 0 HD2 LYS B 19 7.220 13.050 8.452 1.00 0.00 H new ATOM 0 HD3 LYS B 19 8.819 12.548 8.964 1.00 0.00 H new ATOM 0 HE2 LYS B 19 7.236 13.287 10.818 1.00 0.00 H new ATOM 0 HE3 LYS B 19 8.823 14.031 10.824 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 6.875 15.559 11.148 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 7.967 16.018 9.931 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 6.484 15.305 9.516 1.00 0.00 H new ATOM 595 N GLN B 20 8.299 12.903 3.263 1.00 0.00 N ATOM 596 CA GLN B 20 8.775 13.011 1.888 1.00 0.00 C ATOM 597 C GLN B 20 7.611 12.933 0.909 1.00 0.00 C ATOM 598 O GLN B 20 6.903 11.935 0.868 1.00 0.00 O ATOM 599 CB GLN B 20 9.792 11.909 1.597 1.00 0.00 C ATOM 600 CG GLN B 20 10.432 12.022 0.227 1.00 0.00 C ATOM 601 CD GLN B 20 11.562 11.032 0.019 1.00 0.00 C ATOM 602 OE1 GLN B 20 11.491 9.898 0.701 1.00 0.00 O flip ATOM 603 NE2 GLN B 20 12.492 11.283 -0.749 1.00 0.00 N flip ATOM 0 H GLN B 20 7.602 12.175 3.416 1.00 0.00 H new ATOM 0 HA GLN B 20 9.261 13.979 1.763 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.573 11.936 2.357 1.00 0.00 H new ATOM 0 HB3 GLN B 20 9.300 10.940 1.680 1.00 0.00 H new ATOM 0 HG2 GLN B 20 9.672 11.863 -0.538 1.00 0.00 H new ATOM 0 HG3 GLN B 20 10.813 13.034 0.092 1.00 0.00 H new ATOM 0 HE21 GLN B 20 12.510 12.168 -1.256 1.00 0.00 H new ATOM 0 HE22 GLN B 20 13.244 10.606 -0.878 1.00 0.00 H new ATOM 612 N ASP B 21 7.425 13.987 0.119 1.00 0.00 N ATOM 613 CA ASP B 21 6.326 14.050 -0.849 1.00 0.00 C ATOM 614 C ASP B 21 6.667 13.308 -2.141 1.00 0.00 C ATOM 615 O ASP B 21 7.841 13.167 -2.499 1.00 0.00 O ATOM 616 CB ASP B 21 5.982 15.513 -1.163 1.00 0.00 C ATOM 617 CG ASP B 21 4.507 15.719 -1.468 1.00 0.00 C ATOM 618 OD1 ASP B 21 3.829 16.434 -0.693 1.00 0.00 O ATOM 619 OD2 ASP B 21 4.022 15.169 -2.475 1.00 0.00 O ATOM 0 H ASP B 21 8.022 14.814 0.128 1.00 0.00 H new ATOM 0 HA ASP B 21 5.462 13.560 -0.400 1.00 0.00 H new ATOM 0 HB2 ASP B 21 6.264 16.138 -0.315 1.00 0.00 H new ATOM 0 HB3 ASP B 21 6.574 15.846 -2.015 1.00 0.00 H new ATOM 624 N GLY B 22 5.634 12.829 -2.823 1.00 0.00 N ATOM 625 CA GLY B 22 5.810 12.107 -4.069 1.00 0.00 C ATOM 626 C GLY B 22 4.482 11.713 -4.697 1.00 0.00 C ATOM 627 O GLY B 22 3.449 12.307 -4.397 1.00 0.00 O ATOM 0 H GLY B 22 4.662 12.930 -2.529 1.00 0.00 H new ATOM 0 HA2 GLY B 22 6.372 12.725 -4.769 1.00 0.00 H new ATOM 0 HA3 GLY B 22 6.404 11.211 -3.887 1.00 0.00 H new ATOM 631 N ALA B 23 4.505 10.705 -5.560 1.00 0.00 N ATOM 632 CA ALA B 23 3.295 10.232 -6.228 1.00 0.00 C ATOM 633 C ALA B 23 3.093 8.742 -5.982 1.00 0.00 C ATOM 634 O ALA B 23 4.037 7.951 -6.049 1.00 0.00 O ATOM 635 CB ALA B 23 3.343 10.536 -7.720 1.00 0.00 C ATOM 0 H ALA B 23 5.351 10.196 -5.816 1.00 0.00 H new ATOM 0 HA ALA B 23 2.443 10.765 -5.805 1.00 0.00 H new ATOM 0 HB1 ALA B 23 2.431 10.174 -8.195 1.00 0.00 H new ATOM 0 HB2 ALA B 23 3.427 11.612 -7.869 1.00 0.00 H new ATOM 0 HB3 ALA B 23 4.205 10.039 -8.165 1.00 0.00 H new ATOM 641 N LEU B 24 1.855 8.374 -5.699 1.00 0.00 N ATOM 642 CA LEU B 24 1.492 6.993 -5.404 1.00 0.00 C ATOM 643 C LEU B 24 0.867 6.314 -6.625 1.00 0.00 C ATOM 644 O LEU B 24 0.090 6.926 -7.353 1.00 0.00 O ATOM 645 CB LEU B 24 0.515 6.988 -4.227 1.00 0.00 C ATOM 646 CG LEU B 24 0.047 5.610 -3.768 1.00 0.00 C ATOM 647 CD1 LEU B 24 0.953 5.043 -2.705 1.00 0.00 C ATOM 648 CD2 LEU B 24 -1.377 5.684 -3.250 1.00 0.00 C ATOM 0 H LEU B 24 1.069 9.024 -5.667 1.00 0.00 H new ATOM 0 HA LEU B 24 2.389 6.431 -5.145 1.00 0.00 H new ATOM 0 HB2 LEU B 24 0.987 7.492 -3.383 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -0.360 7.577 -4.501 1.00 0.00 H new ATOM 0 HG LEU B 24 0.083 4.944 -4.630 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.589 4.061 -2.402 1.00 0.00 H new ATOM 0 HD12 LEU B 24 1.964 4.949 -3.101 1.00 0.00 H new ATOM 0 HD13 LEU B 24 0.962 5.708 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -1.698 4.694 -2.926 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -1.422 6.374 -2.407 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -2.035 6.037 -4.044 1.00 0.00 H new ATOM 660 N TYR B 25 1.221 5.056 -6.851 1.00 0.00 N ATOM 661 CA TYR B 25 0.698 4.288 -7.977 1.00 0.00 C ATOM 662 C TYR B 25 0.257 2.908 -7.500 1.00 0.00 C ATOM 663 O TYR B 25 1.033 2.180 -6.887 1.00 0.00 O ATOM 664 CB TYR B 25 1.762 4.121 -9.071 1.00 0.00 C ATOM 665 CG TYR B 25 2.269 5.412 -9.678 1.00 0.00 C ATOM 666 CD1 TYR B 25 1.806 5.845 -10.912 1.00 0.00 C ATOM 667 CD2 TYR B 25 3.222 6.186 -9.026 1.00 0.00 C ATOM 668 CE1 TYR B 25 2.276 7.014 -11.479 1.00 0.00 C ATOM 669 CE2 TYR B 25 3.694 7.357 -9.585 1.00 0.00 C ATOM 670 CZ TYR B 25 3.219 7.766 -10.811 1.00 0.00 C ATOM 671 OH TYR B 25 3.689 8.930 -11.373 1.00 0.00 O ATOM 0 H TYR B 25 1.875 4.540 -6.263 1.00 0.00 H new ATOM 0 HA TYR B 25 -0.151 4.831 -8.391 1.00 0.00 H new ATOM 0 HB2 TYR B 25 2.609 3.578 -8.652 1.00 0.00 H new ATOM 0 HB3 TYR B 25 1.348 3.502 -9.867 1.00 0.00 H new ATOM 0 HD1 TYR B 25 1.067 5.259 -11.438 1.00 0.00 H new ATOM 0 HD2 TYR B 25 3.600 5.866 -8.066 1.00 0.00 H new ATOM 0 HE1 TYR B 25 1.906 7.337 -12.441 1.00 0.00 H new ATOM 0 HE2 TYR B 25 4.432 7.949 -9.064 1.00 0.00 H new ATOM 0 HH TYR B 25 4.347 9.340 -10.774 1.00 0.00 H new ATOM 681 N LEU B 26 -0.981 2.539 -7.775 1.00 0.00 N ATOM 682 CA LEU B 26 -1.478 1.239 -7.343 1.00 0.00 C ATOM 683 C LEU B 26 -1.632 0.291 -8.523 1.00 0.00 C ATOM 684 O LEU B 26 -2.411 0.554 -9.443 1.00 0.00 O ATOM 685 CB LEU B 26 -2.816 1.374 -6.612 1.00 0.00 C ATOM 686 CG LEU B 26 -2.888 2.497 -5.579 1.00 0.00 C ATOM 687 CD1 LEU B 26 -4.200 2.456 -4.833 1.00 0.00 C ATOM 688 CD2 LEU B 26 -1.757 2.413 -4.587 1.00 0.00 C ATOM 0 H LEU B 26 -1.654 3.109 -8.287 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.742 0.825 -6.654 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -3.600 1.533 -7.352 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -3.035 0.430 -6.113 1.00 0.00 H new ATOM 0 HG LEU B 26 -2.806 3.436 -6.126 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -4.229 3.265 -4.103 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -5.023 2.574 -5.538 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -4.297 1.500 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.842 3.228 -3.868 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.804 1.459 -4.061 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -0.805 2.491 -5.113 1.00 0.00 H new ATOM 700 N MET B 27 -0.876 -0.796 -8.498 1.00 0.00 N ATOM 701 CA MET B 27 -0.935 -1.807 -9.545 1.00 0.00 C ATOM 702 C MET B 27 -1.835 -2.940 -9.097 1.00 0.00 C ATOM 703 O MET B 27 -2.044 -3.134 -7.906 1.00 0.00 O ATOM 704 CB MET B 27 0.447 -2.376 -9.871 1.00 0.00 C ATOM 705 CG MET B 27 1.451 -1.345 -10.345 1.00 0.00 C ATOM 706 SD MET B 27 2.184 -0.414 -8.989 1.00 0.00 S ATOM 707 CE MET B 27 3.148 0.771 -9.916 1.00 0.00 C ATOM 0 H MET B 27 -0.207 -1.003 -7.756 1.00 0.00 H new ATOM 0 HA MET B 27 -1.327 -1.330 -10.443 1.00 0.00 H new ATOM 0 HB2 MET B 27 0.842 -2.869 -8.983 1.00 0.00 H new ATOM 0 HB3 MET B 27 0.340 -3.141 -10.640 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.241 -1.844 -10.906 1.00 0.00 H new ATOM 0 HG3 MET B 27 0.960 -0.654 -11.031 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.173 0.776 -9.545 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.146 0.496 -10.971 1.00 0.00 H new ATOM 0 HE3 MET B 27 2.714 1.764 -9.799 1.00 0.00 H new ATOM 717 N ALA B 28 -2.322 -3.711 -10.051 1.00 0.00 N ATOM 718 CA ALA B 28 -3.218 -4.829 -9.773 1.00 0.00 C ATOM 719 C ALA B 28 -2.609 -5.821 -8.789 1.00 0.00 C ATOM 720 O ALA B 28 -3.334 -6.492 -8.049 1.00 0.00 O ATOM 721 CB ALA B 28 -3.582 -5.537 -11.069 1.00 0.00 C ATOM 0 H ALA B 28 -2.111 -3.584 -11.041 1.00 0.00 H new ATOM 0 HA ALA B 28 -4.118 -4.422 -9.312 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -4.251 -6.370 -10.853 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -4.080 -4.836 -11.739 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -2.676 -5.913 -11.545 1.00 0.00 H new ATOM 727 N GLU B 29 -1.285 -5.898 -8.770 1.00 0.00 N ATOM 728 CA GLU B 29 -0.583 -6.836 -7.903 1.00 0.00 C ATOM 729 C GLU B 29 0.027 -6.174 -6.666 1.00 0.00 C ATOM 730 O GLU B 29 0.198 -6.829 -5.628 1.00 0.00 O ATOM 731 CB GLU B 29 0.540 -7.525 -8.685 1.00 0.00 C ATOM 732 CG GLU B 29 0.271 -7.660 -10.176 1.00 0.00 C ATOM 733 CD GLU B 29 0.800 -6.476 -10.965 1.00 0.00 C ATOM 734 OE1 GLU B 29 2.003 -6.472 -11.302 1.00 0.00 O ATOM 735 OE2 GLU B 29 0.022 -5.536 -11.236 1.00 0.00 O ATOM 0 H GLU B 29 -0.674 -5.320 -9.347 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.329 -7.555 -7.563 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.463 -6.963 -8.543 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.703 -8.518 -8.266 1.00 0.00 H new ATOM 0 HG2 GLU B 29 0.733 -8.576 -10.545 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -0.802 -7.755 -10.342 1.00 0.00 H new ATOM 742 N ARG B 30 0.322 -4.881 -6.733 1.00 0.00 N ATOM 743 CA ARG B 30 0.985 -4.234 -5.607 1.00 0.00 C ATOM 744 C ARG B 30 0.783 -2.731 -5.587 1.00 0.00 C ATOM 745 O ARG B 30 0.292 -2.143 -6.541 1.00 0.00 O ATOM 746 CB ARG B 30 2.487 -4.530 -5.671 1.00 0.00 C ATOM 747 CG ARG B 30 3.236 -3.676 -6.687 1.00 0.00 C ATOM 748 CD ARG B 30 4.365 -4.450 -7.345 1.00 0.00 C ATOM 749 NE ARG B 30 3.992 -4.923 -8.678 1.00 0.00 N ATOM 750 CZ ARG B 30 4.463 -4.400 -9.811 1.00 0.00 C ATOM 751 NH1 ARG B 30 5.329 -3.396 -9.781 1.00 0.00 N ATOM 752 NH2 ARG B 30 4.064 -4.868 -10.980 1.00 0.00 N ATOM 0 H ARG B 30 0.121 -4.275 -7.529 1.00 0.00 H new ATOM 0 HA ARG B 30 0.539 -4.636 -4.697 1.00 0.00 H new ATOM 0 HB2 ARG B 30 2.922 -4.371 -4.684 1.00 0.00 H new ATOM 0 HB3 ARG B 30 2.631 -5.582 -5.917 1.00 0.00 H new ATOM 0 HG2 ARG B 30 2.542 -3.325 -7.450 1.00 0.00 H new ATOM 0 HG3 ARG B 30 3.640 -2.792 -6.193 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.248 -3.814 -7.418 1.00 0.00 H new ATOM 0 HD3 ARG B 30 4.636 -5.301 -6.720 1.00 0.00 H new ATOM 0 HE ARG B 30 3.333 -5.699 -8.745 1.00 0.00 H new ATOM 0 HH11 ARG B 30 5.640 -3.017 -8.886 1.00 0.00 H new ATOM 0 HH12 ARG B 30 5.684 -3.002 -10.653 1.00 0.00 H new ATOM 0 HH21 ARG B 30 3.392 -5.634 -11.020 1.00 0.00 H new ATOM 0 HH22 ARG B 30 4.428 -4.463 -11.843 1.00 0.00 H new ATOM 766 N ILE B 31 1.182 -2.129 -4.484 1.00 0.00 N ATOM 767 CA ILE B 31 1.094 -0.694 -4.307 1.00 0.00 C ATOM 768 C ILE B 31 2.506 -0.115 -4.303 1.00 0.00 C ATOM 769 O ILE B 31 3.354 -0.527 -3.506 1.00 0.00 O ATOM 770 CB ILE B 31 0.355 -0.323 -2.998 1.00 0.00 C ATOM 771 CG1 ILE B 31 0.700 1.106 -2.568 1.00 0.00 C ATOM 772 CG2 ILE B 31 0.681 -1.317 -1.889 1.00 0.00 C ATOM 773 CD1 ILE B 31 -0.180 1.633 -1.459 1.00 0.00 C ATOM 0 H ILE B 31 1.577 -2.623 -3.684 1.00 0.00 H new ATOM 0 HA ILE B 31 0.517 -0.273 -5.130 1.00 0.00 H new ATOM 0 HB ILE B 31 -0.717 -0.371 -3.188 1.00 0.00 H new ATOM 0 HG12 ILE B 31 1.739 1.137 -2.242 1.00 0.00 H new ATOM 0 HG13 ILE B 31 0.617 1.766 -3.431 1.00 0.00 H new ATOM 0 HG21 ILE B 31 0.150 -1.035 -0.980 1.00 0.00 H new ATOM 0 HG22 ILE B 31 0.372 -2.317 -2.194 1.00 0.00 H new ATOM 0 HG23 ILE B 31 1.754 -1.311 -1.699 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.122 2.649 -1.207 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.219 1.635 -1.789 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -0.079 0.996 -0.580 1.00 0.00 H new ATOM 785 N ALA B 32 2.765 0.805 -5.215 1.00 0.00 N ATOM 786 CA ALA B 32 4.073 1.424 -5.317 1.00 0.00 C ATOM 787 C ALA B 32 3.961 2.935 -5.191 1.00 0.00 C ATOM 788 O ALA B 32 2.948 3.524 -5.545 1.00 0.00 O ATOM 789 CB ALA B 32 4.737 1.046 -6.632 1.00 0.00 C ATOM 0 H ALA B 32 2.084 1.140 -5.897 1.00 0.00 H new ATOM 0 HA ALA B 32 4.693 1.058 -4.499 1.00 0.00 H new ATOM 0 HB1 ALA B 32 5.717 1.518 -6.693 1.00 0.00 H new ATOM 0 HB2 ALA B 32 4.852 -0.037 -6.684 1.00 0.00 H new ATOM 0 HB3 ALA B 32 4.118 1.385 -7.463 1.00 0.00 H new ATOM 795 N TRP B 33 4.991 3.557 -4.665 1.00 0.00 N ATOM 796 CA TRP B 33 4.998 4.997 -4.502 1.00 0.00 C ATOM 797 C TRP B 33 6.412 5.530 -4.680 1.00 0.00 C ATOM 798 O TRP B 33 7.375 4.964 -4.150 1.00 0.00 O ATOM 799 CB TRP B 33 4.399 5.369 -3.135 1.00 0.00 C ATOM 800 CG TRP B 33 4.581 6.802 -2.730 1.00 0.00 C ATOM 801 CD1 TRP B 33 3.686 7.809 -2.918 1.00 0.00 C ATOM 802 CD2 TRP B 33 5.704 7.387 -2.055 1.00 0.00 C ATOM 803 NE1 TRP B 33 4.181 8.983 -2.421 1.00 0.00 N ATOM 804 CE2 TRP B 33 5.418 8.752 -1.882 1.00 0.00 C ATOM 805 CE3 TRP B 33 6.923 6.893 -1.586 1.00 0.00 C ATOM 806 CZ2 TRP B 33 6.304 9.626 -1.261 1.00 0.00 C ATOM 807 CZ3 TRP B 33 7.800 7.761 -0.967 1.00 0.00 C ATOM 808 CH2 TRP B 33 7.487 9.115 -0.809 1.00 0.00 C ATOM 0 H TRP B 33 5.838 3.089 -4.341 1.00 0.00 H new ATOM 0 HA TRP B 33 4.377 5.463 -5.267 1.00 0.00 H new ATOM 0 HB2 TRP B 33 3.333 5.144 -3.150 1.00 0.00 H new ATOM 0 HB3 TRP B 33 4.849 4.732 -2.373 1.00 0.00 H new ATOM 0 HD1 TRP B 33 2.722 7.697 -3.392 1.00 0.00 H new ATOM 0 HE1 TRP B 33 3.705 9.885 -2.448 1.00 0.00 H new ATOM 0 HE3 TRP B 33 7.175 5.850 -1.705 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 6.065 10.672 -1.140 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 8.744 7.388 -0.598 1.00 0.00 H new ATOM 0 HH2 TRP B 33 8.194 9.769 -0.320 1.00 0.00 H new ATOM 819 N ALA B 34 6.534 6.597 -5.451 1.00 0.00 N ATOM 820 CA ALA B 34 7.824 7.207 -5.713 1.00 0.00 C ATOM 821 C ALA B 34 7.811 8.668 -5.298 1.00 0.00 C ATOM 822 O ALA B 34 6.886 9.405 -5.637 1.00 0.00 O ATOM 823 CB ALA B 34 8.185 7.080 -7.187 1.00 0.00 C ATOM 0 H ALA B 34 5.749 7.060 -5.909 1.00 0.00 H new ATOM 0 HA ALA B 34 8.579 6.684 -5.126 1.00 0.00 H new ATOM 0 HB1 ALA B 34 9.156 7.543 -7.365 1.00 0.00 H new ATOM 0 HB2 ALA B 34 8.230 6.026 -7.461 1.00 0.00 H new ATOM 0 HB3 ALA B 34 7.428 7.580 -7.791 1.00 0.00 H new ATOM 829 N PRO B 35 8.827 9.100 -4.547 1.00 0.00 N ATOM 830 CA PRO B 35 8.934 10.481 -4.092 1.00 0.00 C ATOM 831 C PRO B 35 9.249 11.421 -5.245 1.00 0.00 C ATOM 832 O PRO B 35 9.739 10.991 -6.292 1.00 0.00 O ATOM 833 CB PRO B 35 10.099 10.460 -3.095 1.00 0.00 C ATOM 834 CG PRO B 35 10.420 9.020 -2.867 1.00 0.00 C ATOM 835 CD PRO B 35 9.952 8.283 -4.087 1.00 0.00 C ATOM 0 HA PRO B 35 8.002 10.838 -3.654 1.00 0.00 H new ATOM 0 HB2 PRO B 35 10.962 10.994 -3.492 1.00 0.00 H new ATOM 0 HB3 PRO B 35 9.823 10.951 -2.162 1.00 0.00 H new ATOM 0 HG2 PRO B 35 11.490 8.880 -2.716 1.00 0.00 H new ATOM 0 HG3 PRO B 35 9.920 8.648 -1.973 1.00 0.00 H new ATOM 0 HD2 PRO B 35 10.735 8.211 -4.842 1.00 0.00 H new ATOM 0 HD3 PRO B 35 9.643 7.265 -3.851 1.00 0.00 H new ATOM 843 N GLU B 36 8.972 12.698 -5.053 1.00 0.00 N ATOM 844 CA GLU B 36 9.235 13.687 -6.082 1.00 0.00 C ATOM 845 C GLU B 36 10.739 13.822 -6.303 1.00 0.00 C ATOM 846 O GLU B 36 11.535 13.689 -5.363 1.00 0.00 O ATOM 847 CB GLU B 36 8.618 15.034 -5.698 1.00 0.00 C ATOM 848 CG GLU B 36 7.870 15.709 -6.838 1.00 0.00 C ATOM 849 CD GLU B 36 8.752 15.970 -8.043 1.00 0.00 C ATOM 850 OE1 GLU B 36 8.955 15.033 -8.848 1.00 0.00 O ATOM 851 OE2 GLU B 36 9.259 17.100 -8.175 1.00 0.00 O ATOM 0 H GLU B 36 8.566 13.074 -4.196 1.00 0.00 H new ATOM 0 HA GLU B 36 8.776 13.359 -7.015 1.00 0.00 H new ATOM 0 HB2 GLU B 36 7.933 14.886 -4.863 1.00 0.00 H new ATOM 0 HB3 GLU B 36 9.408 15.699 -5.348 1.00 0.00 H new ATOM 0 HG2 GLU B 36 7.030 15.083 -7.137 1.00 0.00 H new ATOM 0 HG3 GLU B 36 7.454 16.653 -6.486 1.00 0.00 H new ATOM 858 N GLY B 37 11.122 14.066 -7.548 1.00 0.00 N ATOM 859 CA GLY B 37 12.522 14.203 -7.892 1.00 0.00 C ATOM 860 C GLY B 37 13.283 12.896 -7.766 1.00 0.00 C ATOM 861 O GLY B 37 14.487 12.898 -7.503 1.00 0.00 O ATOM 0 H GLY B 37 10.480 14.172 -8.333 1.00 0.00 H new ATOM 0 HA2 GLY B 37 12.607 14.572 -8.914 1.00 0.00 H new ATOM 0 HA3 GLY B 37 12.980 14.950 -7.244 1.00 0.00 H new ATOM 865 N LYS B 38 12.573 11.782 -7.878 1.00 0.00 N ATOM 866 CA LYS B 38 13.196 10.466 -7.794 1.00 0.00 C ATOM 867 C LYS B 38 13.094 9.740 -9.127 1.00 0.00 C ATOM 868 O LYS B 38 12.179 9.992 -9.908 1.00 0.00 O ATOM 869 CB LYS B 38 12.563 9.628 -6.682 1.00 0.00 C ATOM 870 CG LYS B 38 12.738 10.234 -5.300 1.00 0.00 C ATOM 871 CD LYS B 38 14.202 10.439 -4.951 1.00 0.00 C ATOM 872 CE LYS B 38 14.378 11.580 -3.962 1.00 0.00 C ATOM 873 NZ LYS B 38 13.991 12.890 -4.558 1.00 0.00 N ATOM 0 H LYS B 38 11.564 11.762 -8.027 1.00 0.00 H new ATOM 0 HA LYS B 38 14.250 10.608 -7.554 1.00 0.00 H new ATOM 0 HB2 LYS B 38 11.499 9.509 -6.887 1.00 0.00 H new ATOM 0 HB3 LYS B 38 13.003 8.631 -6.692 1.00 0.00 H new ATOM 0 HG2 LYS B 38 12.217 11.190 -5.255 1.00 0.00 H new ATOM 0 HG3 LYS B 38 12.276 9.584 -4.557 1.00 0.00 H new ATOM 0 HD2 LYS B 38 14.609 9.521 -4.527 1.00 0.00 H new ATOM 0 HD3 LYS B 38 14.768 10.650 -5.858 1.00 0.00 H new ATOM 0 HE2 LYS B 38 13.772 11.390 -3.076 1.00 0.00 H new ATOM 0 HE3 LYS B 38 15.417 11.621 -3.635 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 14.340 13.662 -3.955 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 14.407 12.976 -5.507 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 12.955 12.947 -4.628 1.00 0.00 H new ATOM 887 N ASP B 39 14.030 8.841 -9.373 1.00 0.00 N ATOM 888 CA ASP B 39 14.056 8.074 -10.611 1.00 0.00 C ATOM 889 C ASP B 39 13.622 6.634 -10.358 1.00 0.00 C ATOM 890 O ASP B 39 13.648 5.796 -11.259 1.00 0.00 O ATOM 891 CB ASP B 39 15.469 8.093 -11.210 1.00 0.00 C ATOM 892 CG ASP B 39 16.461 7.274 -10.399 1.00 0.00 C ATOM 893 OD1 ASP B 39 16.333 7.232 -9.153 1.00 0.00 O ATOM 894 OD2 ASP B 39 17.371 6.668 -11.000 1.00 0.00 O ATOM 0 H ASP B 39 14.789 8.621 -8.728 1.00 0.00 H new ATOM 0 HA ASP B 39 13.360 8.530 -11.315 1.00 0.00 H new ATOM 0 HB2 ASP B 39 15.433 7.707 -12.229 1.00 0.00 H new ATOM 0 HB3 ASP B 39 15.819 9.123 -11.272 1.00 0.00 H new ATOM 899 N ARG B 40 13.207 6.354 -9.129 1.00 0.00 N ATOM 900 CA ARG B 40 12.788 5.012 -8.759 1.00 0.00 C ATOM 901 C ARG B 40 11.759 5.045 -7.635 1.00 0.00 C ATOM 902 O ARG B 40 11.640 6.037 -6.912 1.00 0.00 O ATOM 903 CB ARG B 40 14.004 4.184 -8.334 1.00 0.00 C ATOM 904 CG ARG B 40 14.764 4.767 -7.151 1.00 0.00 C ATOM 905 CD ARG B 40 16.211 4.301 -7.135 1.00 0.00 C ATOM 906 NE ARG B 40 16.944 4.757 -8.316 1.00 0.00 N ATOM 907 CZ ARG B 40 17.922 4.073 -8.907 1.00 0.00 C ATOM 908 NH1 ARG B 40 18.334 2.914 -8.399 1.00 0.00 N ATOM 909 NH2 ARG B 40 18.487 4.552 -10.005 1.00 0.00 N ATOM 0 H ARG B 40 13.152 7.038 -8.374 1.00 0.00 H new ATOM 0 HA ARG B 40 12.322 4.550 -9.629 1.00 0.00 H new ATOM 0 HB2 ARG B 40 13.675 3.176 -8.081 1.00 0.00 H new ATOM 0 HB3 ARG B 40 14.684 4.094 -9.181 1.00 0.00 H new ATOM 0 HG2 ARG B 40 14.732 5.856 -7.197 1.00 0.00 H new ATOM 0 HG3 ARG B 40 14.275 4.472 -6.222 1.00 0.00 H new ATOM 0 HD2 ARG B 40 16.703 4.674 -6.236 1.00 0.00 H new ATOM 0 HD3 ARG B 40 16.241 3.212 -7.087 1.00 0.00 H new ATOM 0 HE ARG B 40 16.689 5.661 -8.714 1.00 0.00 H new ATOM 0 HH11 ARG B 40 17.900 2.545 -7.553 1.00 0.00 H new ATOM 0 HH12 ARG B 40 19.083 2.395 -8.856 1.00 0.00 H new ATOM 0 HH21 ARG B 40 18.173 5.441 -10.394 1.00 0.00 H new ATOM 0 HH22 ARG B 40 19.236 4.032 -10.461 1.00 0.00 H new ATOM 923 N PHE B 41 11.019 3.952 -7.499 1.00 0.00 N ATOM 924 CA PHE B 41 9.997 3.829 -6.468 1.00 0.00 C ATOM 925 C PHE B 41 10.620 3.330 -5.171 1.00 0.00 C ATOM 926 O PHE B 41 11.293 2.301 -5.159 1.00 0.00 O ATOM 927 CB PHE B 41 8.897 2.856 -6.912 1.00 0.00 C ATOM 928 CG PHE B 41 8.083 3.332 -8.084 1.00 0.00 C ATOM 929 CD1 PHE B 41 6.825 3.875 -7.890 1.00 0.00 C ATOM 930 CD2 PHE B 41 8.572 3.229 -9.376 1.00 0.00 C ATOM 931 CE1 PHE B 41 6.069 4.310 -8.962 1.00 0.00 C ATOM 932 CE2 PHE B 41 7.820 3.662 -10.453 1.00 0.00 C ATOM 933 CZ PHE B 41 6.567 4.202 -10.245 1.00 0.00 C ATOM 0 H PHE B 41 11.109 3.130 -8.097 1.00 0.00 H new ATOM 0 HA PHE B 41 9.556 4.812 -6.305 1.00 0.00 H new ATOM 0 HB2 PHE B 41 9.355 1.901 -7.167 1.00 0.00 H new ATOM 0 HB3 PHE B 41 8.228 2.674 -6.071 1.00 0.00 H new ATOM 0 HD1 PHE B 41 6.429 3.960 -6.889 1.00 0.00 H new ATOM 0 HD2 PHE B 41 9.551 2.806 -9.544 1.00 0.00 H new ATOM 0 HE1 PHE B 41 5.090 4.734 -8.796 1.00 0.00 H new ATOM 0 HE2 PHE B 41 8.213 3.578 -11.455 1.00 0.00 H new ATOM 0 HZ PHE B 41 5.977 4.539 -11.084 1.00 0.00 H new ATOM 943 N THR B 42 10.409 4.061 -4.089 1.00 0.00 N ATOM 944 CA THR B 42 10.947 3.670 -2.795 1.00 0.00 C ATOM 945 C THR B 42 9.947 2.798 -2.048 1.00 0.00 C ATOM 946 O THR B 42 10.308 2.035 -1.153 1.00 0.00 O ATOM 947 CB THR B 42 11.286 4.901 -1.943 1.00 0.00 C ATOM 948 OG1 THR B 42 10.270 5.896 -2.111 1.00 0.00 O ATOM 949 CG2 THR B 42 12.638 5.477 -2.336 1.00 0.00 C ATOM 0 H THR B 42 9.870 4.927 -4.080 1.00 0.00 H new ATOM 0 HA THR B 42 11.862 3.105 -2.972 1.00 0.00 H new ATOM 0 HB THR B 42 11.333 4.596 -0.898 1.00 0.00 H new ATOM 0 HG1 THR B 42 9.567 5.761 -1.442 1.00 0.00 H new ATOM 0 HG21 THR B 42 12.856 6.348 -1.718 1.00 0.00 H new ATOM 0 HG22 THR B 42 13.412 4.724 -2.187 1.00 0.00 H new ATOM 0 HG23 THR B 42 12.617 5.772 -3.385 1.00 0.00 H new ATOM 957 N ILE B 43 8.684 2.926 -2.425 1.00 0.00 N ATOM 958 CA ILE B 43 7.620 2.158 -1.810 1.00 0.00 C ATOM 959 C ILE B 43 7.127 1.087 -2.769 1.00 0.00 C ATOM 960 O ILE B 43 6.669 1.393 -3.869 1.00 0.00 O ATOM 961 CB ILE B 43 6.442 3.070 -1.390 1.00 0.00 C ATOM 962 CG1 ILE B 43 6.829 3.912 -0.171 1.00 0.00 C ATOM 963 CG2 ILE B 43 5.186 2.258 -1.101 1.00 0.00 C ATOM 964 CD1 ILE B 43 7.246 3.095 1.032 1.00 0.00 C ATOM 0 H ILE B 43 8.372 3.561 -3.160 1.00 0.00 H new ATOM 0 HA ILE B 43 8.021 1.684 -0.914 1.00 0.00 H new ATOM 0 HB ILE B 43 6.221 3.737 -2.223 1.00 0.00 H new ATOM 0 HG12 ILE B 43 7.647 4.578 -0.447 1.00 0.00 H new ATOM 0 HG13 ILE B 43 5.984 4.543 0.106 1.00 0.00 H new ATOM 0 HG21 ILE B 43 4.378 2.929 -0.809 1.00 0.00 H new ATOM 0 HG22 ILE B 43 4.895 1.707 -1.996 1.00 0.00 H new ATOM 0 HG23 ILE B 43 5.385 1.556 -0.291 1.00 0.00 H new ATOM 0 HD11 ILE B 43 7.505 3.763 1.854 1.00 0.00 H new ATOM 0 HD12 ILE B 43 6.423 2.448 1.336 1.00 0.00 H new ATOM 0 HD13 ILE B 43 8.111 2.484 0.775 1.00 0.00 H new ATOM 976 N SER B 44 7.265 -0.162 -2.363 1.00 0.00 N ATOM 977 CA SER B 44 6.823 -1.285 -3.166 1.00 0.00 C ATOM 978 C SER B 44 6.366 -2.411 -2.249 1.00 0.00 C ATOM 979 O SER B 44 7.185 -3.131 -1.679 1.00 0.00 O ATOM 980 CB SER B 44 7.954 -1.762 -4.087 1.00 0.00 C ATOM 981 OG SER B 44 7.531 -2.830 -4.917 1.00 0.00 O ATOM 0 H SER B 44 7.685 -0.425 -1.471 1.00 0.00 H new ATOM 0 HA SER B 44 5.987 -0.974 -3.793 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.296 -0.932 -4.706 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.805 -2.082 -3.485 1.00 0.00 H new ATOM 0 HG SER B 44 8.273 -3.110 -5.493 1.00 0.00 H new ATOM 987 N HIS B 45 5.058 -2.548 -2.094 1.00 0.00 N ATOM 988 CA HIS B 45 4.499 -3.582 -1.233 1.00 0.00 C ATOM 989 C HIS B 45 3.465 -4.393 -1.989 1.00 0.00 C ATOM 990 O HIS B 45 2.621 -3.829 -2.688 1.00 0.00 O ATOM 991 CB HIS B 45 3.839 -2.967 0.007 1.00 0.00 C ATOM 992 CG HIS B 45 4.678 -1.948 0.716 1.00 0.00 C ATOM 993 ND1 HIS B 45 5.662 -2.256 1.628 1.00 0.00 N ATOM 994 CD2 HIS B 45 4.665 -0.597 0.620 1.00 0.00 C ATOM 995 CE1 HIS B 45 6.207 -1.107 2.047 1.00 0.00 C ATOM 996 NE2 HIS B 45 5.639 -0.070 1.464 1.00 0.00 N ATOM 0 H HIS B 45 4.364 -1.958 -2.552 1.00 0.00 H new ATOM 0 HA HIS B 45 5.318 -4.229 -0.917 1.00 0.00 H new ATOM 0 HB2 HIS B 45 2.899 -2.502 -0.290 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.592 -3.766 0.706 1.00 0.00 H new ATOM 0 HD1 HIS B 45 5.929 -3.193 1.931 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.004 -0.020 -0.011 1.00 0.00 H new ATOM 0 HE1 HIS B 45 7.008 -1.039 2.769 1.00 0.00 H new ATOM 1004 N MET B 46 3.525 -5.706 -1.857 1.00 0.00 N ATOM 1005 CA MET B 46 2.568 -6.566 -2.522 1.00 0.00 C ATOM 1006 C MET B 46 1.329 -6.673 -1.654 1.00 0.00 C ATOM 1007 O MET B 46 1.431 -6.706 -0.431 1.00 0.00 O ATOM 1008 CB MET B 46 3.156 -7.957 -2.781 1.00 0.00 C ATOM 1009 CG MET B 46 4.315 -7.963 -3.765 1.00 0.00 C ATOM 1010 SD MET B 46 3.785 -7.727 -5.474 1.00 0.00 S ATOM 1011 CE MET B 46 2.860 -9.236 -5.757 1.00 0.00 C ATOM 0 H MET B 46 4.223 -6.196 -1.298 1.00 0.00 H new ATOM 0 HA MET B 46 2.313 -6.134 -3.490 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.494 -8.380 -1.835 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.368 -8.609 -3.159 1.00 0.00 H new ATOM 0 HG2 MET B 46 5.018 -7.175 -3.496 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.850 -8.909 -3.683 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.819 -9.442 -6.826 1.00 0.00 H new ATOM 0 HE2 MET B 46 3.350 -10.065 -5.246 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.847 -9.120 -5.371 1.00 0.00 H new ATOM 1021 N TYR B 47 0.165 -6.720 -2.283 1.00 0.00 N ATOM 1022 CA TYR B 47 -1.106 -6.816 -1.558 1.00 0.00 C ATOM 1023 C TYR B 47 -1.137 -8.048 -0.652 1.00 0.00 C ATOM 1024 O TYR B 47 -1.869 -8.086 0.335 1.00 0.00 O ATOM 1025 CB TYR B 47 -2.251 -6.869 -2.568 1.00 0.00 C ATOM 1026 CG TYR B 47 -2.375 -5.604 -3.388 1.00 0.00 C ATOM 1027 CD1 TYR B 47 -2.981 -5.611 -4.634 1.00 0.00 C ATOM 1028 CD2 TYR B 47 -1.886 -4.396 -2.904 1.00 0.00 C ATOM 1029 CE1 TYR B 47 -3.097 -4.450 -5.372 1.00 0.00 C ATOM 1030 CE2 TYR B 47 -1.999 -3.236 -3.634 1.00 0.00 C ATOM 1031 CZ TYR B 47 -2.605 -3.265 -4.865 1.00 0.00 C ATOM 1032 OH TYR B 47 -2.724 -2.108 -5.593 1.00 0.00 O ATOM 0 H TYR B 47 0.067 -6.693 -3.298 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.216 -5.939 -0.920 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.099 -7.716 -3.237 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.187 -7.045 -2.039 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -3.368 -6.537 -5.033 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -1.408 -4.368 -1.936 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -3.571 -4.469 -6.342 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.613 -2.307 -3.241 1.00 0.00 H new ATOM 0 HH TYR B 47 -2.659 -2.315 -6.549 1.00 0.00 H new ATOM 1042 N ALA B 48 -0.312 -9.034 -0.980 1.00 0.00 N ATOM 1043 CA ALA B 48 -0.240 -10.269 -0.214 1.00 0.00 C ATOM 1044 C ALA B 48 0.419 -10.057 1.148 1.00 0.00 C ATOM 1045 O ALA B 48 0.129 -10.789 2.087 1.00 0.00 O ATOM 1046 CB ALA B 48 0.513 -11.329 -1.002 1.00 0.00 C ATOM 0 H ALA B 48 0.321 -9.000 -1.779 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.261 -10.607 -0.036 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.561 -12.249 -0.420 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.005 -11.521 -1.942 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.524 -10.978 -1.210 1.00 0.00 H new ATOM 1052 N ASP B 49 1.289 -9.048 1.249 1.00 0.00 N ATOM 1053 CA ASP B 49 1.994 -8.748 2.492 1.00 0.00 C ATOM 1054 C ASP B 49 1.248 -7.687 3.288 1.00 0.00 C ATOM 1055 O ASP B 49 1.639 -7.340 4.409 1.00 0.00 O ATOM 1056 CB ASP B 49 3.396 -8.213 2.232 1.00 0.00 C ATOM 1057 CG ASP B 49 4.036 -8.726 0.954 1.00 0.00 C ATOM 1058 OD1 ASP B 49 4.270 -9.946 0.842 1.00 0.00 O ATOM 1059 OD2 ASP B 49 4.318 -7.896 0.057 1.00 0.00 O ATOM 0 H ASP B 49 1.521 -8.423 0.477 1.00 0.00 H new ATOM 0 HA ASP B 49 2.052 -9.685 3.046 1.00 0.00 H new ATOM 0 HB2 ASP B 49 3.355 -7.125 2.192 1.00 0.00 H new ATOM 0 HB3 ASP B 49 4.035 -8.477 3.075 1.00 0.00 H new ATOM 1064 N ILE B 50 0.181 -7.164 2.718 1.00 0.00 N ATOM 1065 CA ILE B 50 -0.598 -6.152 3.401 1.00 0.00 C ATOM 1066 C ILE B 50 -1.689 -6.839 4.217 1.00 0.00 C ATOM 1067 O ILE B 50 -2.432 -7.668 3.694 1.00 0.00 O ATOM 1068 CB ILE B 50 -1.260 -5.163 2.415 1.00 0.00 C ATOM 1069 CG1 ILE B 50 -0.351 -4.882 1.210 1.00 0.00 C ATOM 1070 CG2 ILE B 50 -1.618 -3.869 3.126 1.00 0.00 C ATOM 1071 CD1 ILE B 50 0.799 -3.942 1.497 1.00 0.00 C ATOM 0 H ILE B 50 -0.164 -7.420 1.793 1.00 0.00 H new ATOM 0 HA ILE B 50 0.077 -5.585 4.042 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.175 -5.623 2.041 1.00 0.00 H new ATOM 0 HG12 ILE B 50 0.051 -5.827 0.846 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -0.955 -4.462 0.406 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.083 -3.182 2.419 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.314 -4.080 3.938 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.714 -3.415 3.532 1.00 0.00 H new ATOM 0 HD11 ILE B 50 1.388 -3.800 0.591 1.00 0.00 H new ATOM 0 HD12 ILE B 50 0.408 -2.980 1.830 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.430 -4.367 2.277 1.00 0.00 H new ATOM 1083 N LYS B 51 -1.790 -6.505 5.492 1.00 0.00 N ATOM 1084 CA LYS B 51 -2.792 -7.113 6.347 1.00 0.00 C ATOM 1085 C LYS B 51 -4.101 -6.352 6.213 1.00 0.00 C ATOM 1086 O LYS B 51 -5.182 -6.940 6.153 1.00 0.00 O ATOM 1087 CB LYS B 51 -2.343 -7.112 7.813 1.00 0.00 C ATOM 1088 CG LYS B 51 -3.444 -7.542 8.768 1.00 0.00 C ATOM 1089 CD LYS B 51 -2.977 -7.586 10.212 1.00 0.00 C ATOM 1090 CE LYS B 51 -4.104 -8.034 11.133 1.00 0.00 C ATOM 1091 NZ LYS B 51 -4.388 -9.490 11.000 1.00 0.00 N ATOM 0 H LYS B 51 -1.193 -5.820 5.955 1.00 0.00 H new ATOM 0 HA LYS B 51 -2.930 -8.148 6.034 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -1.489 -7.780 7.927 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -2.004 -6.112 8.083 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -4.284 -6.853 8.682 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -3.808 -8.527 8.477 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -2.133 -8.269 10.305 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -2.624 -6.600 10.515 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -3.839 -7.809 12.166 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -5.006 -7.466 10.905 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -5.102 -9.770 11.703 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -4.747 -9.688 10.044 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -3.514 -10.030 11.160 1.00 0.00 H new ATOM 1105 N CYS B 52 -3.976 -5.037 6.153 1.00 0.00 N ATOM 1106 CA CYS B 52 -5.101 -4.144 6.043 1.00 0.00 C ATOM 1107 C CYS B 52 -4.603 -2.748 5.716 1.00 0.00 C ATOM 1108 O CYS B 52 -3.405 -2.541 5.529 1.00 0.00 O ATOM 1109 CB CYS B 52 -5.875 -4.130 7.353 1.00 0.00 C ATOM 1110 SG CYS B 52 -4.840 -4.007 8.829 1.00 0.00 S ATOM 0 H CYS B 52 -3.075 -4.560 6.180 1.00 0.00 H new ATOM 0 HA CYS B 52 -5.763 -4.485 5.247 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -6.571 -3.291 7.341 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -6.473 -5.039 7.418 1.00 0.00 H new ATOM 0 HG CYS B 52 -5.594 -4.001 9.888 1.00 0.00 H new ATOM 1116 N GLN B 53 -5.508 -1.799 5.629 1.00 0.00 N ATOM 1117 CA GLN B 53 -5.129 -0.435 5.339 1.00 0.00 C ATOM 1118 C GLN B 53 -6.006 0.537 6.124 1.00 0.00 C ATOM 1119 O GLN B 53 -7.210 0.314 6.265 1.00 0.00 O ATOM 1120 CB GLN B 53 -5.212 -0.158 3.840 1.00 0.00 C ATOM 1121 CG GLN B 53 -6.437 -0.756 3.154 1.00 0.00 C ATOM 1122 CD GLN B 53 -7.586 0.223 3.011 1.00 0.00 C ATOM 1123 OE1 GLN B 53 -7.386 1.434 2.935 1.00 0.00 O ATOM 1124 NE2 GLN B 53 -8.802 -0.300 2.959 1.00 0.00 N ATOM 0 H GLN B 53 -6.509 -1.946 5.755 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.094 -0.289 5.649 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.213 0.920 3.682 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -4.315 -0.550 3.360 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -6.151 -1.116 2.166 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -6.776 -1.622 3.723 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -8.926 -1.310 3.026 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -9.614 0.308 2.852 1.00 0.00 H new ATOM 1133 N LYS B 54 -5.408 1.600 6.651 1.00 0.00 N ATOM 1134 CA LYS B 54 -6.166 2.590 7.405 1.00 0.00 C ATOM 1135 C LYS B 54 -6.317 3.855 6.593 1.00 0.00 C ATOM 1136 O LYS B 54 -5.565 4.092 5.650 1.00 0.00 O ATOM 1137 CB LYS B 54 -5.473 3.030 8.696 1.00 0.00 C ATOM 1138 CG LYS B 54 -5.173 1.980 9.736 1.00 0.00 C ATOM 1139 CD LYS B 54 -4.731 2.687 11.009 1.00 0.00 C ATOM 1140 CE LYS B 54 -4.646 1.778 12.217 1.00 0.00 C ATOM 1141 NZ LYS B 54 -3.734 0.623 11.989 1.00 0.00 N ATOM 0 H LYS B 54 -4.410 1.797 6.571 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.115 2.106 7.634 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -4.532 3.507 8.423 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -6.094 3.794 9.164 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.056 1.370 9.927 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.391 1.307 9.383 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -3.755 3.143 10.840 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.428 3.497 11.224 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -4.297 2.350 13.076 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -5.642 1.409 12.463 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -3.358 0.292 12.901 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -4.259 -0.149 11.530 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -2.947 0.918 11.377 1.00 0.00 H new ATOM 1155 N ILE B 55 -7.278 4.672 6.978 1.00 0.00 N ATOM 1156 CA ILE B 55 -7.481 5.957 6.347 1.00 0.00 C ATOM 1157 C ILE B 55 -7.646 6.977 7.468 1.00 0.00 C ATOM 1158 O ILE B 55 -8.380 6.734 8.430 1.00 0.00 O ATOM 1159 CB ILE B 55 -8.696 5.990 5.369 1.00 0.00 C ATOM 1160 CG1 ILE B 55 -9.998 6.421 6.046 1.00 0.00 C ATOM 1161 CG2 ILE B 55 -8.894 4.625 4.729 1.00 0.00 C ATOM 1162 CD1 ILE B 55 -10.932 7.155 5.105 1.00 0.00 C ATOM 0 H ILE B 55 -7.934 4.464 7.731 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.620 6.186 5.719 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.459 6.735 4.610 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -10.505 5.541 6.442 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.766 7.064 6.895 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -9.745 4.662 4.049 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.997 4.350 4.174 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -9.082 3.883 5.505 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.839 7.437 5.639 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.439 8.052 4.729 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -11.190 6.505 4.269 1.00 0.00 H new ATOM 1174 N SER B 56 -6.913 8.073 7.404 1.00 0.00 N ATOM 1175 CA SER B 56 -7.017 9.075 8.440 1.00 0.00 C ATOM 1176 C SER B 56 -8.075 10.081 8.029 1.00 0.00 C ATOM 1177 O SER B 56 -7.949 10.753 6.983 1.00 0.00 O ATOM 1178 CB SER B 56 -5.673 9.747 8.723 1.00 0.00 C ATOM 1179 OG SER B 56 -5.479 10.903 7.935 1.00 0.00 O ATOM 0 H SER B 56 -6.251 8.287 6.658 1.00 0.00 H new ATOM 0 HA SER B 56 -7.312 8.598 9.375 1.00 0.00 H new ATOM 0 HB2 SER B 56 -5.618 10.015 9.778 1.00 0.00 H new ATOM 0 HB3 SER B 56 -4.867 9.039 8.531 1.00 0.00 H new ATOM 0 HG SER B 56 -4.710 11.406 8.276 1.00 0.00 H new ATOM 1185 N PRO B 57 -9.127 10.155 8.854 1.00 0.00 N ATOM 1186 CA PRO B 57 -10.296 11.014 8.649 1.00 0.00 C ATOM 1187 C PRO B 57 -10.010 12.497 8.814 1.00 0.00 C ATOM 1188 O PRO B 57 -8.907 12.908 9.188 1.00 0.00 O ATOM 1189 CB PRO B 57 -11.264 10.552 9.741 1.00 0.00 C ATOM 1190 CG PRO B 57 -10.377 10.053 10.822 1.00 0.00 C ATOM 1191 CD PRO B 57 -9.237 9.393 10.112 1.00 0.00 C ATOM 0 HA PRO B 57 -10.671 10.921 7.630 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -11.894 11.371 10.088 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -11.930 9.769 9.378 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -10.029 10.869 11.455 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -10.900 9.349 11.469 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -8.317 9.445 10.695 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.437 8.338 9.926 1.00 0.00 H new ATOM 1199 N GLU B 58 -11.023 13.285 8.490 1.00 0.00 N ATOM 1200 CA GLU B 58 -10.969 14.728 8.601 1.00 0.00 C ATOM 1201 C GLU B 58 -10.705 15.135 10.049 1.00 0.00 C ATOM 1202 O GLU B 58 -10.938 14.362 10.979 1.00 0.00 O ATOM 1203 CB GLU B 58 -12.277 15.346 8.090 1.00 0.00 C ATOM 1204 CG GLU B 58 -12.467 15.233 6.577 1.00 0.00 C ATOM 1205 CD GLU B 58 -12.440 13.798 6.076 1.00 0.00 C ATOM 1206 OE1 GLU B 58 -11.766 13.531 5.060 1.00 0.00 O ATOM 1207 OE2 GLU B 58 -13.064 12.930 6.718 1.00 0.00 O ATOM 0 H GLU B 58 -11.914 12.934 8.139 1.00 0.00 H new ATOM 0 HA GLU B 58 -10.150 15.101 7.986 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -13.116 14.860 8.589 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -12.304 16.399 8.372 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -13.418 15.689 6.302 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -11.684 15.801 6.075 1.00 0.00 H new ATOM 1214 N GLY B 59 -10.249 16.358 10.231 1.00 0.00 N ATOM 1215 CA GLY B 59 -9.913 16.844 11.554 1.00 0.00 C ATOM 1216 C GLY B 59 -8.429 17.099 11.641 1.00 0.00 C ATOM 1217 O GLY B 59 -7.973 17.960 12.390 1.00 0.00 O ATOM 0 H GLY B 59 -10.103 17.033 9.480 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -10.462 17.762 11.765 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -10.211 16.114 12.307 1.00 0.00 H new ATOM 1221 N LYS B 60 -7.682 16.341 10.854 1.00 0.00 N ATOM 1222 CA LYS B 60 -6.245 16.512 10.762 1.00 0.00 C ATOM 1223 C LYS B 60 -5.973 17.515 9.664 1.00 0.00 C ATOM 1224 O LYS B 60 -6.815 17.727 8.788 1.00 0.00 O ATOM 1225 CB LYS B 60 -5.536 15.184 10.448 1.00 0.00 C ATOM 1226 CG LYS B 60 -5.125 14.395 11.682 1.00 0.00 C ATOM 1227 CD LYS B 60 -4.360 13.121 11.324 1.00 0.00 C ATOM 1228 CE LYS B 60 -3.755 12.470 12.558 1.00 0.00 C ATOM 1229 NZ LYS B 60 -4.497 12.832 13.796 1.00 0.00 N ATOM 0 H LYS B 60 -8.054 15.595 10.266 1.00 0.00 H new ATOM 0 HA LYS B 60 -5.859 16.863 11.719 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -6.196 14.567 9.838 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -4.649 15.390 9.849 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -4.504 15.022 12.322 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -6.013 14.134 12.257 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -5.032 12.418 10.833 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -3.570 13.358 10.612 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -3.759 11.387 12.436 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -2.713 12.776 12.656 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -4.264 12.155 14.551 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -4.226 13.791 14.095 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -5.520 12.804 13.609 1.00 0.00 H new ATOM 1243 N ALA B 61 -4.813 18.135 9.705 1.00 0.00 N ATOM 1244 CA ALA B 61 -4.449 19.114 8.696 1.00 0.00 C ATOM 1245 C ALA B 61 -4.107 18.430 7.396 1.00 0.00 C ATOM 1246 O ALA B 61 -3.866 19.078 6.378 1.00 0.00 O ATOM 1247 CB ALA B 61 -3.273 19.931 9.166 1.00 0.00 C ATOM 0 H ALA B 61 -4.105 17.981 10.423 1.00 0.00 H new ATOM 0 HA ALA B 61 -5.301 19.774 8.533 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -3.009 20.662 8.402 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -3.535 20.449 10.088 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -2.423 19.274 9.349 1.00 0.00 H new ATOM 1253 N LYS B 62 -4.082 17.117 7.439 1.00 0.00 N ATOM 1254 CA LYS B 62 -3.762 16.347 6.276 1.00 0.00 C ATOM 1255 C LYS B 62 -4.598 15.078 6.214 1.00 0.00 C ATOM 1256 O LYS B 62 -4.942 14.497 7.244 1.00 0.00 O ATOM 1257 CB LYS B 62 -2.285 15.983 6.283 1.00 0.00 C ATOM 1258 CG LYS B 62 -1.812 15.408 7.605 1.00 0.00 C ATOM 1259 CD LYS B 62 -0.691 14.414 7.399 1.00 0.00 C ATOM 1260 CE LYS B 62 0.375 14.548 8.465 1.00 0.00 C ATOM 1261 NZ LYS B 62 0.815 15.961 8.634 1.00 0.00 N ATOM 0 H LYS B 62 -4.281 16.566 8.274 1.00 0.00 H new ATOM 0 HA LYS B 62 -3.986 16.953 5.398 1.00 0.00 H new ATOM 0 HB2 LYS B 62 -2.093 15.259 5.491 1.00 0.00 H new ATOM 0 HB3 LYS B 62 -1.698 16.872 6.051 1.00 0.00 H new ATOM 0 HG2 LYS B 62 -1.472 16.215 8.254 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -2.645 14.921 8.112 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -1.095 13.402 7.412 1.00 0.00 H new ATOM 0 HD3 LYS B 62 -0.245 14.566 6.416 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -0.010 14.171 9.413 1.00 0.00 H new ATOM 0 HE3 LYS B 62 1.233 13.929 8.201 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 1.809 15.981 8.940 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 0.721 16.464 7.729 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 0.223 16.426 9.351 1.00 0.00 H new ATOM 1275 N ILE B 63 -4.925 14.663 5.007 1.00 0.00 N ATOM 1276 CA ILE B 63 -5.685 13.447 4.791 1.00 0.00 C ATOM 1277 C ILE B 63 -4.690 12.302 4.633 1.00 0.00 C ATOM 1278 O ILE B 63 -3.730 12.430 3.877 1.00 0.00 O ATOM 1279 CB ILE B 63 -6.582 13.585 3.541 1.00 0.00 C ATOM 1280 CG1 ILE B 63 -7.793 14.466 3.860 1.00 0.00 C ATOM 1281 CG2 ILE B 63 -7.036 12.230 3.037 1.00 0.00 C ATOM 1282 CD1 ILE B 63 -7.613 15.924 3.484 1.00 0.00 C ATOM 0 H ILE B 63 -4.673 15.156 4.151 1.00 0.00 H new ATOM 0 HA ILE B 63 -6.344 13.251 5.636 1.00 0.00 H new ATOM 0 HB ILE B 63 -5.995 14.055 2.752 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -8.664 14.072 3.337 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -8.006 14.400 4.927 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -7.665 12.361 2.157 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -6.165 11.629 2.774 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.604 11.723 3.817 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -8.514 16.480 3.742 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -6.763 16.338 4.027 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -7.432 16.004 2.412 1.00 0.00 H new ATOM 1294 N GLN B 64 -4.883 11.191 5.334 1.00 0.00 N ATOM 1295 CA GLN B 64 -3.896 10.110 5.253 1.00 0.00 C ATOM 1296 C GLN B 64 -4.482 8.739 5.016 1.00 0.00 C ATOM 1297 O GLN B 64 -5.678 8.504 5.159 1.00 0.00 O ATOM 1298 CB GLN B 64 -3.073 10.007 6.532 1.00 0.00 C ATOM 1299 CG GLN B 64 -2.189 11.191 6.838 1.00 0.00 C ATOM 1300 CD GLN B 64 -1.498 11.022 8.174 1.00 0.00 C ATOM 1301 OE1 GLN B 64 -0.384 11.495 8.374 1.00 0.00 O ATOM 1302 NE2 GLN B 64 -2.157 10.330 9.100 1.00 0.00 N ATOM 0 H GLN B 64 -5.681 11.013 5.944 1.00 0.00 H new ATOM 0 HA GLN B 64 -3.287 10.388 4.393 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -3.754 9.859 7.370 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -2.448 9.116 6.469 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -1.444 11.306 6.051 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -2.786 12.103 6.846 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -3.082 9.953 8.893 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -1.737 10.176 10.017 1.00 0.00 H new ATOM 1311 N LEU B 65 -3.597 7.856 4.601 1.00 0.00 N ATOM 1312 CA LEU B 65 -3.894 6.460 4.391 1.00 0.00 C ATOM 1313 C LEU B 65 -2.684 5.678 4.883 1.00 0.00 C ATOM 1314 O LEU B 65 -1.591 6.229 4.913 1.00 0.00 O ATOM 1315 CB LEU B 65 -4.113 6.159 2.918 1.00 0.00 C ATOM 1316 CG LEU B 65 -5.009 4.960 2.640 1.00 0.00 C ATOM 1317 CD1 LEU B 65 -6.450 5.401 2.505 1.00 0.00 C ATOM 1318 CD2 LEU B 65 -4.547 4.217 1.407 1.00 0.00 C ATOM 0 H LEU B 65 -2.628 8.099 4.396 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.805 6.188 4.924 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -4.548 7.038 2.442 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -3.144 5.988 2.448 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.941 4.273 3.484 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -7.079 4.533 2.306 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -6.772 5.879 3.430 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -6.538 6.109 1.681 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -5.203 3.365 1.229 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -4.579 4.885 0.546 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.526 3.865 1.556 1.00 0.00 H new ATOM 1330 N GLN B 66 -2.848 4.438 5.305 1.00 0.00 N ATOM 1331 CA GLN B 66 -1.696 3.671 5.761 1.00 0.00 C ATOM 1332 C GLN B 66 -1.835 2.194 5.436 1.00 0.00 C ATOM 1333 O GLN B 66 -2.922 1.627 5.498 1.00 0.00 O ATOM 1334 CB GLN B 66 -1.441 3.864 7.263 1.00 0.00 C ATOM 1335 CG GLN B 66 -2.179 2.885 8.158 1.00 0.00 C ATOM 1336 CD GLN B 66 -1.681 2.883 9.594 1.00 0.00 C ATOM 1337 OE1 GLN B 66 -1.767 1.870 10.284 1.00 0.00 O ATOM 1338 NE2 GLN B 66 -1.168 4.009 10.060 1.00 0.00 N ATOM 0 H GLN B 66 -3.741 3.947 5.343 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.834 4.057 5.218 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.371 3.774 7.452 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.729 4.878 7.540 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.242 3.128 8.151 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -2.079 1.881 7.746 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -1.112 4.831 9.459 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -0.828 4.055 11.021 1.00 0.00 H new ATOM 1347 N LEU B 67 -0.719 1.593 5.075 1.00 0.00 N ATOM 1348 CA LEU B 67 -0.664 0.183 4.752 1.00 0.00 C ATOM 1349 C LEU B 67 -0.261 -0.612 5.977 1.00 0.00 C ATOM 1350 O LEU B 67 0.901 -0.606 6.366 1.00 0.00 O ATOM 1351 CB LEU B 67 0.359 -0.072 3.653 1.00 0.00 C ATOM 1352 CG LEU B 67 0.017 0.479 2.275 1.00 0.00 C ATOM 1353 CD1 LEU B 67 1.170 0.219 1.322 1.00 0.00 C ATOM 1354 CD2 LEU B 67 -1.269 -0.146 1.750 1.00 0.00 C ATOM 0 H LEU B 67 0.178 2.072 4.997 1.00 0.00 H new ATOM 0 HA LEU B 67 -1.652 -0.127 4.411 1.00 0.00 H new ATOM 0 HB2 LEU B 67 1.312 0.355 3.966 1.00 0.00 H new ATOM 0 HB3 LEU B 67 0.506 -1.148 3.565 1.00 0.00 H new ATOM 0 HG LEU B 67 -0.142 1.555 2.352 1.00 0.00 H new ATOM 0 HD11 LEU B 67 0.924 0.614 0.336 1.00 0.00 H new ATOM 0 HD12 LEU B 67 2.069 0.710 1.695 1.00 0.00 H new ATOM 0 HD13 LEU B 67 1.347 -0.854 1.249 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -1.496 0.261 0.765 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.145 -1.226 1.677 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -2.088 0.079 2.433 1.00 0.00 H new ATOM 1366 N VAL B 68 -1.211 -1.280 6.590 1.00 0.00 N ATOM 1367 CA VAL B 68 -0.923 -2.079 7.764 1.00 0.00 C ATOM 1368 C VAL B 68 -0.570 -3.486 7.326 1.00 0.00 C ATOM 1369 O VAL B 68 -1.398 -4.198 6.771 1.00 0.00 O ATOM 1370 CB VAL B 68 -2.112 -2.105 8.731 1.00 0.00 C ATOM 1371 CG1 VAL B 68 -1.676 -2.606 10.093 1.00 0.00 C ATOM 1372 CG2 VAL B 68 -2.725 -0.724 8.837 1.00 0.00 C ATOM 0 H VAL B 68 -2.188 -1.288 6.298 1.00 0.00 H new ATOM 0 HA VAL B 68 -0.082 -1.632 8.295 1.00 0.00 H new ATOM 0 HB VAL B 68 -2.866 -2.790 8.344 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -2.532 -2.618 10.767 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -1.274 -3.615 9.998 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -0.907 -1.946 10.495 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -3.569 -0.752 9.526 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -1.978 -0.022 9.207 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -3.070 -0.403 7.854 1.00 0.00 H new ATOM 1382 N LEU B 69 0.664 -3.879 7.558 1.00 0.00 N ATOM 1383 CA LEU B 69 1.132 -5.185 7.132 1.00 0.00 C ATOM 1384 C LEU B 69 1.155 -6.182 8.269 1.00 0.00 C ATOM 1385 O LEU B 69 1.265 -5.809 9.436 1.00 0.00 O ATOM 1386 CB LEU B 69 2.532 -5.057 6.546 1.00 0.00 C ATOM 1387 CG LEU B 69 2.789 -3.742 5.824 1.00 0.00 C ATOM 1388 CD1 LEU B 69 4.221 -3.656 5.364 1.00 0.00 C ATOM 1389 CD2 LEU B 69 1.857 -3.595 4.643 1.00 0.00 C ATOM 0 H LEU B 69 1.364 -3.314 8.039 1.00 0.00 H new ATOM 0 HA LEU B 69 0.435 -5.555 6.380 1.00 0.00 H new ATOM 0 HB2 LEU B 69 3.261 -5.166 7.349 1.00 0.00 H new ATOM 0 HB3 LEU B 69 2.699 -5.879 5.850 1.00 0.00 H new ATOM 0 HG LEU B 69 2.600 -2.929 6.525 1.00 0.00 H new ATOM 0 HD11 LEU B 69 4.382 -2.708 4.851 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.885 -3.719 6.226 1.00 0.00 H new ATOM 0 HD13 LEU B 69 4.434 -4.479 4.682 1.00 0.00 H new ATOM 0 HD21 LEU B 69 2.055 -2.649 4.139 1.00 0.00 H new ATOM 0 HD22 LEU B 69 2.019 -4.418 3.947 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.824 -3.612 4.990 1.00 0.00 H new ATOM 1401 N HIS B 70 1.073 -7.460 7.920 1.00 0.00 N ATOM 1402 CA HIS B 70 1.122 -8.519 8.918 1.00 0.00 C ATOM 1403 C HIS B 70 2.566 -8.722 9.350 1.00 0.00 C ATOM 1404 O HIS B 70 2.867 -9.515 10.236 1.00 0.00 O ATOM 1405 CB HIS B 70 0.533 -9.839 8.393 1.00 0.00 C ATOM 1406 CG HIS B 70 0.543 -9.979 6.900 1.00 0.00 C ATOM 1407 ND1 HIS B 70 -0.557 -9.749 6.110 1.00 0.00 N ATOM 1408 CD2 HIS B 70 1.544 -10.331 6.048 1.00 0.00 C ATOM 1409 CE1 HIS B 70 -0.195 -9.962 4.843 1.00 0.00 C ATOM 1410 NE2 HIS B 70 1.062 -10.324 4.762 1.00 0.00 N ATOM 0 H HIS B 70 0.973 -7.786 6.959 1.00 0.00 H new ATOM 0 HA HIS B 70 0.512 -8.216 9.769 1.00 0.00 H new ATOM 0 HB2 HIS B 70 1.092 -10.668 8.826 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -0.494 -9.929 8.746 1.00 0.00 H new ATOM 0 HD1 HIS B 70 -1.482 -9.467 6.433 1.00 0.00 H new ATOM 0 HD2 HIS B 70 2.555 -10.576 6.337 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -0.853 -9.850 3.994 1.00 0.00 H new ATOM 1418 N ALA B 71 3.446 -7.973 8.697 1.00 0.00 N ATOM 1419 CA ALA B 71 4.870 -8.005 8.974 1.00 0.00 C ATOM 1420 C ALA B 71 5.181 -7.205 10.236 1.00 0.00 C ATOM 1421 O ALA B 71 6.307 -7.211 10.728 1.00 0.00 O ATOM 1422 CB ALA B 71 5.627 -7.436 7.782 1.00 0.00 C ATOM 0 H ALA B 71 3.186 -7.323 7.955 1.00 0.00 H new ATOM 0 HA ALA B 71 5.184 -9.036 9.139 1.00 0.00 H new ATOM 0 HB1 ALA B 71 6.697 -7.458 7.986 1.00 0.00 H new ATOM 0 HB2 ALA B 71 5.414 -8.035 6.896 1.00 0.00 H new ATOM 0 HB3 ALA B 71 5.312 -6.407 7.609 1.00 0.00 H new ATOM 1428 N GLY B 72 4.165 -6.518 10.751 1.00 0.00 N ATOM 1429 CA GLY B 72 4.334 -5.716 11.946 1.00 0.00 C ATOM 1430 C GLY B 72 4.722 -4.291 11.618 1.00 0.00 C ATOM 1431 O GLY B 72 5.203 -3.556 12.478 1.00 0.00 O ATOM 0 H GLY B 72 3.224 -6.504 10.358 1.00 0.00 H new ATOM 0 HA2 GLY B 72 3.406 -5.717 12.518 1.00 0.00 H new ATOM 0 HA3 GLY B 72 5.100 -6.164 12.579 1.00 0.00 H new ATOM 1435 N ASP B 73 4.497 -3.899 10.370 1.00 0.00 N ATOM 1436 CA ASP B 73 4.837 -2.554 9.913 1.00 0.00 C ATOM 1437 C ASP B 73 3.628 -1.876 9.279 1.00 0.00 C ATOM 1438 O ASP B 73 2.667 -2.542 8.885 1.00 0.00 O ATOM 1439 CB ASP B 73 6.003 -2.607 8.915 1.00 0.00 C ATOM 1440 CG ASP B 73 6.362 -1.239 8.356 1.00 0.00 C ATOM 1441 OD1 ASP B 73 6.521 -0.291 9.156 1.00 0.00 O ATOM 1442 OD2 ASP B 73 6.465 -1.110 7.119 1.00 0.00 O ATOM 0 H ASP B 73 4.080 -4.493 9.654 1.00 0.00 H new ATOM 0 HA ASP B 73 5.144 -1.967 10.779 1.00 0.00 H new ATOM 0 HB2 ASP B 73 6.877 -3.034 9.407 1.00 0.00 H new ATOM 0 HB3 ASP B 73 5.742 -3.273 8.093 1.00 0.00 H new ATOM 1447 N THR B 74 3.678 -0.555 9.197 1.00 0.00 N ATOM 1448 CA THR B 74 2.608 0.229 8.609 1.00 0.00 C ATOM 1449 C THR B 74 3.203 1.330 7.729 1.00 0.00 C ATOM 1450 O THR B 74 4.119 2.036 8.148 1.00 0.00 O ATOM 1451 CB THR B 74 1.711 0.867 9.692 1.00 0.00 C ATOM 1452 OG1 THR B 74 2.513 1.521 10.683 1.00 0.00 O ATOM 1453 CG2 THR B 74 0.837 -0.179 10.362 1.00 0.00 C ATOM 0 H THR B 74 4.462 0.001 9.537 1.00 0.00 H new ATOM 0 HA THR B 74 1.992 -0.440 8.009 1.00 0.00 H new ATOM 0 HB THR B 74 1.069 1.600 9.202 1.00 0.00 H new ATOM 0 HG1 THR B 74 1.931 1.922 11.362 1.00 0.00 H new ATOM 0 HG21 THR B 74 0.216 0.298 11.120 1.00 0.00 H new ATOM 0 HG22 THR B 74 0.199 -0.653 9.616 1.00 0.00 H new ATOM 0 HG23 THR B 74 1.468 -0.934 10.832 1.00 0.00 H new ATOM 1461 N THR B 75 2.695 1.466 6.517 1.00 0.00 N ATOM 1462 CA THR B 75 3.187 2.473 5.586 1.00 0.00 C ATOM 1463 C THR B 75 2.192 3.627 5.438 1.00 0.00 C ATOM 1464 O THR B 75 1.131 3.460 4.845 1.00 0.00 O ATOM 1465 CB THR B 75 3.444 1.834 4.209 1.00 0.00 C ATOM 1466 OG1 THR B 75 4.125 0.583 4.379 1.00 0.00 O ATOM 1467 CG2 THR B 75 4.273 2.753 3.325 1.00 0.00 C ATOM 0 H THR B 75 1.938 0.889 6.150 1.00 0.00 H new ATOM 0 HA THR B 75 4.119 2.873 5.986 1.00 0.00 H new ATOM 0 HB THR B 75 2.483 1.668 3.723 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.517 0.306 3.525 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.439 2.276 2.359 1.00 0.00 H new ATOM 0 HG22 THR B 75 3.742 3.694 3.179 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.233 2.949 3.803 1.00 0.00 H new ATOM 1475 N ASN B 76 2.539 4.798 5.965 1.00 0.00 N ATOM 1476 CA ASN B 76 1.653 5.964 5.889 1.00 0.00 C ATOM 1477 C ASN B 76 1.768 6.685 4.560 1.00 0.00 C ATOM 1478 O ASN B 76 2.827 6.728 3.937 1.00 0.00 O ATOM 1479 CB ASN B 76 1.940 6.975 7.005 1.00 0.00 C ATOM 1480 CG ASN B 76 1.118 6.743 8.257 1.00 0.00 C ATOM 1481 OD1 ASN B 76 0.663 5.634 8.524 1.00 0.00 O ATOM 1482 ND2 ASN B 76 0.926 7.794 9.039 1.00 0.00 N ATOM 0 H ASN B 76 3.421 4.968 6.447 1.00 0.00 H new ATOM 0 HA ASN B 76 0.644 5.568 6.001 1.00 0.00 H new ATOM 0 HB2 ASN B 76 2.998 6.930 7.261 1.00 0.00 H new ATOM 0 HB3 ASN B 76 1.744 7.981 6.633 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.384 7.699 9.898 1.00 0.00 H new ATOM 0 HD22 ASN B 76 1.320 8.699 8.783 1.00 0.00 H new ATOM 1489 N PHE B 77 0.655 7.243 4.138 1.00 0.00 N ATOM 1490 CA PHE B 77 0.575 8.000 2.912 1.00 0.00 C ATOM 1491 C PHE B 77 -0.196 9.278 3.178 1.00 0.00 C ATOM 1492 O PHE B 77 -1.420 9.267 3.324 1.00 0.00 O ATOM 1493 CB PHE B 77 -0.086 7.175 1.807 1.00 0.00 C ATOM 1494 CG PHE B 77 0.804 6.084 1.290 1.00 0.00 C ATOM 1495 CD1 PHE B 77 2.024 6.390 0.710 1.00 0.00 C ATOM 1496 CD2 PHE B 77 0.429 4.755 1.395 1.00 0.00 C ATOM 1497 CE1 PHE B 77 2.854 5.393 0.243 1.00 0.00 C ATOM 1498 CE2 PHE B 77 1.256 3.753 0.926 1.00 0.00 C ATOM 1499 CZ PHE B 77 2.470 4.074 0.350 1.00 0.00 C ATOM 0 H PHE B 77 -0.229 7.182 4.643 1.00 0.00 H new ATOM 0 HA PHE B 77 1.579 8.251 2.569 1.00 0.00 H new ATOM 0 HB2 PHE B 77 -1.008 6.736 2.189 1.00 0.00 H new ATOM 0 HB3 PHE B 77 -0.363 7.833 0.984 1.00 0.00 H new ATOM 0 HD1 PHE B 77 2.329 7.422 0.622 1.00 0.00 H new ATOM 0 HD2 PHE B 77 -0.518 4.500 1.847 1.00 0.00 H new ATOM 0 HE1 PHE B 77 3.803 5.645 -0.206 1.00 0.00 H new ATOM 0 HE2 PHE B 77 0.954 2.719 1.010 1.00 0.00 H new ATOM 0 HZ PHE B 77 3.118 3.291 -0.016 1.00 0.00 H new ATOM 1509 N HIS B 78 0.541 10.363 3.279 1.00 0.00 N ATOM 1510 CA HIS B 78 -0.027 11.668 3.547 1.00 0.00 C ATOM 1511 C HIS B 78 -0.448 12.316 2.240 1.00 0.00 C ATOM 1512 O HIS B 78 0.387 12.721 1.438 1.00 0.00 O ATOM 1513 CB HIS B 78 1.021 12.512 4.306 1.00 0.00 C ATOM 1514 CG HIS B 78 0.790 14.005 4.389 1.00 0.00 C ATOM 1515 ND1 HIS B 78 1.536 14.831 5.202 1.00 0.00 N ATOM 1516 CD2 HIS B 78 -0.079 14.825 3.737 1.00 0.00 C ATOM 1517 CE1 HIS B 78 1.117 16.088 5.019 1.00 0.00 C ATOM 1518 NE2 HIS B 78 0.139 16.140 4.140 1.00 0.00 N ATOM 0 H HIS B 78 1.556 10.365 3.177 1.00 0.00 H new ATOM 0 HA HIS B 78 -0.918 11.587 4.170 1.00 0.00 H new ATOM 0 HB2 HIS B 78 1.091 12.126 5.323 1.00 0.00 H new ATOM 0 HB3 HIS B 78 1.990 12.347 3.835 1.00 0.00 H new ATOM 0 HD2 HIS B 78 -0.821 14.506 3.020 1.00 0.00 H new ATOM 0 HE1 HIS B 78 1.528 16.948 5.527 1.00 0.00 H new ATOM 0 HE2 HIS B 78 -0.357 16.972 3.820 1.00 0.00 H new ATOM 1526 N PHE B 79 -1.747 12.384 2.031 1.00 0.00 N ATOM 1527 CA PHE B 79 -2.302 12.990 0.838 1.00 0.00 C ATOM 1528 C PHE B 79 -2.217 14.511 0.962 1.00 0.00 C ATOM 1529 O PHE B 79 -3.091 15.144 1.558 1.00 0.00 O ATOM 1530 CB PHE B 79 -3.757 12.554 0.664 1.00 0.00 C ATOM 1531 CG PHE B 79 -3.918 11.144 0.173 1.00 0.00 C ATOM 1532 CD1 PHE B 79 -3.803 10.063 1.036 1.00 0.00 C ATOM 1533 CD2 PHE B 79 -4.196 10.904 -1.155 1.00 0.00 C ATOM 1534 CE1 PHE B 79 -3.962 8.770 0.571 1.00 0.00 C ATOM 1535 CE2 PHE B 79 -4.353 9.616 -1.622 1.00 0.00 C ATOM 1536 CZ PHE B 79 -4.238 8.548 -0.766 1.00 0.00 C ATOM 0 H PHE B 79 -2.445 12.022 2.681 1.00 0.00 H new ATOM 0 HA PHE B 79 -1.735 12.668 -0.036 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -4.273 12.656 1.619 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -4.247 13.230 -0.037 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -3.587 10.233 2.080 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -4.292 11.735 -1.838 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -3.871 7.936 1.251 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -4.568 9.446 -2.667 1.00 0.00 H new ATOM 0 HZ PHE B 79 -4.362 7.541 -1.135 1.00 0.00 H new ATOM 1546 N SER B 80 -1.154 15.088 0.422 1.00 0.00 N ATOM 1547 CA SER B 80 -0.938 16.525 0.493 1.00 0.00 C ATOM 1548 C SER B 80 -1.561 17.254 -0.696 1.00 0.00 C ATOM 1549 O SER B 80 -1.386 18.466 -0.855 1.00 0.00 O ATOM 1550 CB SER B 80 0.563 16.814 0.585 1.00 0.00 C ATOM 1551 OG SER B 80 1.313 15.805 -0.072 1.00 0.00 O ATOM 0 H SER B 80 -0.423 14.578 -0.074 1.00 0.00 H new ATOM 0 HA SER B 80 -1.433 16.901 1.389 1.00 0.00 H new ATOM 0 HB2 SER B 80 0.779 17.784 0.137 1.00 0.00 H new ATOM 0 HB3 SER B 80 0.863 16.873 1.631 1.00 0.00 H new ATOM 0 HG SER B 80 2.265 16.034 -0.043 1.00 0.00 H new ATOM 1557 N ASN B 81 -2.276 16.520 -1.535 1.00 0.00 N ATOM 1558 CA ASN B 81 -2.936 17.118 -2.688 1.00 0.00 C ATOM 1559 C ASN B 81 -4.304 17.655 -2.278 1.00 0.00 C ATOM 1560 O ASN B 81 -5.303 16.951 -2.351 1.00 0.00 O ATOM 1561 CB ASN B 81 -3.090 16.095 -3.816 1.00 0.00 C ATOM 1562 CG ASN B 81 -3.748 16.685 -5.050 1.00 0.00 C ATOM 1563 OD1 ASN B 81 -3.549 17.853 -5.382 1.00 0.00 O ATOM 1564 ND2 ASN B 81 -4.547 15.883 -5.733 1.00 0.00 N ATOM 0 H ASN B 81 -2.414 15.514 -1.441 1.00 0.00 H new ATOM 0 HA ASN B 81 -2.321 17.940 -3.053 1.00 0.00 H new ATOM 0 HB2 ASN B 81 -2.109 15.704 -4.084 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -3.683 15.253 -3.460 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -5.023 16.227 -6.567 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -4.687 14.920 -5.426 1.00 0.00 H new ATOM 1571 N GLU B 82 -4.334 18.917 -1.881 1.00 0.00 N ATOM 1572 CA GLU B 82 -5.556 19.582 -1.421 1.00 0.00 C ATOM 1573 C GLU B 82 -6.715 19.431 -2.411 1.00 0.00 C ATOM 1574 O GLU B 82 -7.881 19.412 -2.014 1.00 0.00 O ATOM 1575 CB GLU B 82 -5.278 21.069 -1.150 1.00 0.00 C ATOM 1576 CG GLU B 82 -4.710 21.840 -2.343 1.00 0.00 C ATOM 1577 CD GLU B 82 -3.259 21.500 -2.632 1.00 0.00 C ATOM 1578 OE1 GLU B 82 -2.367 22.000 -1.923 1.00 0.00 O ATOM 1579 OE2 GLU B 82 -3.001 20.703 -3.557 1.00 0.00 O ATOM 0 H GLU B 82 -3.510 19.518 -1.866 1.00 0.00 H new ATOM 0 HA GLU B 82 -5.861 19.092 -0.496 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -6.206 21.547 -0.834 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -4.579 21.148 -0.317 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -5.311 21.625 -3.227 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -4.796 22.910 -2.152 1.00 0.00 H new ATOM 1586 N SER B 83 -6.387 19.306 -3.688 1.00 0.00 N ATOM 1587 CA SER B 83 -7.389 19.166 -4.732 1.00 0.00 C ATOM 1588 C SER B 83 -8.269 17.930 -4.546 1.00 0.00 C ATOM 1589 O SER B 83 -9.495 18.044 -4.407 1.00 0.00 O ATOM 1590 CB SER B 83 -6.693 19.109 -6.093 1.00 0.00 C ATOM 1591 OG SER B 83 -5.620 20.035 -6.153 1.00 0.00 O ATOM 0 H SER B 83 -5.425 19.299 -4.028 1.00 0.00 H new ATOM 0 HA SER B 83 -8.047 20.033 -4.674 1.00 0.00 H new ATOM 0 HB2 SER B 83 -6.319 18.101 -6.273 1.00 0.00 H new ATOM 0 HB3 SER B 83 -7.412 19.328 -6.883 1.00 0.00 H new ATOM 0 HG SER B 83 -4.781 19.578 -5.934 1.00 0.00 H new ATOM 1597 N THR B 84 -7.673 16.750 -4.542 1.00 0.00 N ATOM 1598 CA THR B 84 -8.462 15.537 -4.432 1.00 0.00 C ATOM 1599 C THR B 84 -8.007 14.575 -3.332 1.00 0.00 C ATOM 1600 O THR B 84 -8.495 13.460 -3.289 1.00 0.00 O ATOM 1601 CB THR B 84 -8.487 14.828 -5.797 1.00 0.00 C ATOM 1602 OG1 THR B 84 -7.160 14.727 -6.327 1.00 0.00 O ATOM 1603 CG2 THR B 84 -9.349 15.623 -6.768 1.00 0.00 C ATOM 0 H THR B 84 -6.665 16.607 -4.612 1.00 0.00 H new ATOM 0 HA THR B 84 -9.464 15.845 -4.135 1.00 0.00 H new ATOM 0 HB THR B 84 -8.900 13.828 -5.665 1.00 0.00 H new ATOM 0 HG1 THR B 84 -6.543 14.455 -5.615 1.00 0.00 H new ATOM 0 HG21 THR B 84 -9.366 15.120 -7.735 1.00 0.00 H new ATOM 0 HG22 THR B 84 -10.364 15.695 -6.378 1.00 0.00 H new ATOM 0 HG23 THR B 84 -8.934 16.624 -6.887 1.00 0.00 H new ATOM 1611 N ALA B 85 -7.135 15.020 -2.427 1.00 0.00 N ATOM 1612 CA ALA B 85 -6.601 14.165 -1.345 1.00 0.00 C ATOM 1613 C ALA B 85 -7.661 13.302 -0.664 1.00 0.00 C ATOM 1614 O ALA B 85 -7.464 12.106 -0.498 1.00 0.00 O ATOM 1615 CB ALA B 85 -5.895 15.011 -0.296 1.00 0.00 C ATOM 0 H ALA B 85 -6.776 15.975 -2.415 1.00 0.00 H new ATOM 0 HA ALA B 85 -5.896 13.487 -1.826 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -5.508 14.365 0.492 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -5.070 15.551 -0.760 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -6.600 15.723 0.132 1.00 0.00 H new ATOM 1621 N VAL B 86 -8.766 13.908 -0.252 1.00 0.00 N ATOM 1622 CA VAL B 86 -9.840 13.168 0.412 1.00 0.00 C ATOM 1623 C VAL B 86 -10.365 12.041 -0.488 1.00 0.00 C ATOM 1624 O VAL B 86 -10.400 10.880 -0.088 1.00 0.00 O ATOM 1625 CB VAL B 86 -10.990 14.125 0.820 1.00 0.00 C ATOM 1626 CG1 VAL B 86 -12.343 13.422 0.831 1.00 0.00 C ATOM 1627 CG2 VAL B 86 -10.714 14.740 2.179 1.00 0.00 C ATOM 0 H VAL B 86 -8.946 14.906 -0.363 1.00 0.00 H new ATOM 0 HA VAL B 86 -9.433 12.716 1.316 1.00 0.00 H new ATOM 0 HB VAL B 86 -11.032 14.914 0.069 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -13.119 14.130 1.122 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -12.560 13.035 -0.165 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -12.319 12.597 1.543 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -11.532 15.409 2.449 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -10.630 13.950 2.925 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -9.782 15.304 2.141 1.00 0.00 H new ATOM 1637 N LYS B 87 -10.725 12.396 -1.715 1.00 0.00 N ATOM 1638 CA LYS B 87 -11.246 11.433 -2.689 1.00 0.00 C ATOM 1639 C LYS B 87 -10.157 10.439 -3.075 1.00 0.00 C ATOM 1640 O LYS B 87 -10.424 9.258 -3.280 1.00 0.00 O ATOM 1641 CB LYS B 87 -11.741 12.185 -3.931 1.00 0.00 C ATOM 1642 CG LYS B 87 -12.564 13.428 -3.612 1.00 0.00 C ATOM 1643 CD LYS B 87 -11.941 14.680 -4.217 1.00 0.00 C ATOM 1644 CE LYS B 87 -12.677 15.945 -3.791 1.00 0.00 C ATOM 1645 NZ LYS B 87 -12.105 17.169 -4.424 1.00 0.00 N ATOM 0 H LYS B 87 -10.666 13.352 -2.066 1.00 0.00 H new ATOM 0 HA LYS B 87 -12.076 10.883 -2.246 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -10.881 12.475 -4.535 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -12.343 11.508 -4.538 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -13.577 13.303 -3.994 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -12.644 13.546 -2.531 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -10.896 14.748 -3.914 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -11.953 14.602 -5.304 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -13.730 15.858 -4.058 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -12.630 16.043 -2.706 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -12.591 18.011 -4.054 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -11.090 17.231 -4.205 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -12.234 17.119 -5.455 1.00 0.00 H new ATOM 1659 N GLU B 88 -8.933 10.934 -3.178 1.00 0.00 N ATOM 1660 CA GLU B 88 -7.791 10.103 -3.500 1.00 0.00 C ATOM 1661 C GLU B 88 -7.580 9.090 -2.381 1.00 0.00 C ATOM 1662 O GLU B 88 -7.364 7.912 -2.645 1.00 0.00 O ATOM 1663 CB GLU B 88 -6.553 10.980 -3.747 1.00 0.00 C ATOM 1664 CG GLU B 88 -6.396 11.379 -5.212 1.00 0.00 C ATOM 1665 CD GLU B 88 -5.291 12.390 -5.455 1.00 0.00 C ATOM 1666 OE1 GLU B 88 -5.360 13.495 -4.882 1.00 0.00 O ATOM 1667 OE2 GLU B 88 -4.371 12.100 -6.258 1.00 0.00 O ATOM 0 H GLU B 88 -8.707 11.919 -3.041 1.00 0.00 H new ATOM 0 HA GLU B 88 -7.971 9.548 -4.421 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -6.622 11.879 -3.135 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -5.662 10.442 -3.424 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -6.195 10.485 -5.803 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -7.339 11.792 -5.570 1.00 0.00 H new ATOM 1674 N ARG B 89 -7.683 9.552 -1.134 1.00 0.00 N ATOM 1675 CA ARG B 89 -7.563 8.680 0.033 1.00 0.00 C ATOM 1676 C ARG B 89 -8.590 7.579 -0.082 1.00 0.00 C ATOM 1677 O ARG B 89 -8.291 6.396 0.047 1.00 0.00 O ATOM 1678 CB ARG B 89 -7.839 9.463 1.322 1.00 0.00 C ATOM 1679 CG ARG B 89 -7.773 8.633 2.591 1.00 0.00 C ATOM 1680 CD ARG B 89 -8.577 9.289 3.706 1.00 0.00 C ATOM 1681 NE ARG B 89 -9.919 9.676 3.259 1.00 0.00 N ATOM 1682 CZ ARG B 89 -10.621 10.697 3.759 1.00 0.00 C ATOM 1683 NH1 ARG B 89 -10.139 11.436 4.753 1.00 0.00 N ATOM 1684 NH2 ARG B 89 -11.820 10.972 3.267 1.00 0.00 N ATOM 0 H ARG B 89 -7.850 10.532 -0.907 1.00 0.00 H new ATOM 0 HA ARG B 89 -6.552 8.274 0.069 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -7.119 10.278 1.398 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -8.827 9.917 1.251 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -8.160 7.632 2.397 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -6.735 8.519 2.903 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -8.659 8.601 4.547 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -8.046 10.170 4.066 1.00 0.00 H new ATOM 0 HE ARG B 89 -10.347 9.127 2.514 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -9.221 11.227 5.145 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -10.687 12.212 5.124 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -12.203 10.405 2.510 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -12.360 11.750 3.645 1.00 0.00 H new ATOM 1698 N ASP B 90 -9.804 8.015 -0.348 1.00 0.00 N ATOM 1699 CA ASP B 90 -10.941 7.138 -0.501 1.00 0.00 C ATOM 1700 C ASP B 90 -10.749 6.137 -1.636 1.00 0.00 C ATOM 1701 O ASP B 90 -11.030 4.962 -1.463 1.00 0.00 O ATOM 1702 CB ASP B 90 -12.197 7.992 -0.689 1.00 0.00 C ATOM 1703 CG ASP B 90 -12.870 8.282 0.639 1.00 0.00 C ATOM 1704 OD1 ASP B 90 -12.505 9.284 1.292 1.00 0.00 O ATOM 1705 OD2 ASP B 90 -13.738 7.483 1.052 1.00 0.00 O ATOM 0 H ASP B 90 -10.029 9.003 -0.465 1.00 0.00 H new ATOM 0 HA ASP B 90 -11.051 6.535 0.400 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -11.932 8.930 -1.177 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -12.895 7.476 -1.348 1.00 0.00 H new ATOM 1710 N ALA B 91 -10.233 6.586 -2.773 1.00 0.00 N ATOM 1711 CA ALA B 91 -10.010 5.692 -3.911 1.00 0.00 C ATOM 1712 C ALA B 91 -8.886 4.698 -3.623 1.00 0.00 C ATOM 1713 O ALA B 91 -9.014 3.521 -3.945 1.00 0.00 O ATOM 1714 CB ALA B 91 -9.710 6.491 -5.170 1.00 0.00 C ATOM 0 H ALA B 91 -9.962 7.556 -2.935 1.00 0.00 H new ATOM 0 HA ALA B 91 -10.925 5.123 -4.073 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -9.547 5.808 -6.004 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -10.552 7.145 -5.395 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -8.815 7.093 -5.014 1.00 0.00 H new ATOM 1720 N VAL B 92 -7.782 5.168 -3.032 1.00 0.00 N ATOM 1721 CA VAL B 92 -6.679 4.271 -2.680 1.00 0.00 C ATOM 1722 C VAL B 92 -7.217 3.246 -1.692 1.00 0.00 C ATOM 1723 O VAL B 92 -6.951 2.054 -1.803 1.00 0.00 O ATOM 1724 CB VAL B 92 -5.485 5.019 -2.048 1.00 0.00 C ATOM 1725 CG1 VAL B 92 -4.325 4.070 -1.812 1.00 0.00 C ATOM 1726 CG2 VAL B 92 -5.036 6.165 -2.931 1.00 0.00 C ATOM 0 H VAL B 92 -7.630 6.147 -2.791 1.00 0.00 H new ATOM 0 HA VAL B 92 -6.308 3.800 -3.590 1.00 0.00 H new ATOM 0 HB VAL B 92 -5.814 5.423 -1.091 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -3.493 4.616 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -4.639 3.273 -1.138 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -4.009 3.639 -2.762 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -4.194 6.676 -2.464 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -4.731 5.777 -3.903 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -5.859 6.867 -3.062 1.00 0.00 H new ATOM 1736 N LYS B 93 -8.014 3.743 -0.746 1.00 0.00 N ATOM 1737 CA LYS B 93 -8.655 2.912 0.265 1.00 0.00 C ATOM 1738 C LYS B 93 -9.540 1.877 -0.408 1.00 0.00 C ATOM 1739 O LYS B 93 -9.354 0.682 -0.236 1.00 0.00 O ATOM 1740 CB LYS B 93 -9.511 3.787 1.191 1.00 0.00 C ATOM 1741 CG LYS B 93 -10.413 3.005 2.140 1.00 0.00 C ATOM 1742 CD LYS B 93 -11.882 3.155 1.762 1.00 0.00 C ATOM 1743 CE LYS B 93 -12.348 4.596 1.898 1.00 0.00 C ATOM 1744 NZ LYS B 93 -13.591 4.865 1.123 1.00 0.00 N ATOM 0 H LYS B 93 -8.232 4.736 -0.662 1.00 0.00 H new ATOM 0 HA LYS B 93 -7.886 2.408 0.851 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -8.852 4.425 1.779 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -10.130 4.444 0.580 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -10.137 1.951 2.121 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -10.261 3.356 3.161 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -12.031 2.819 0.736 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -12.490 2.513 2.399 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.523 4.821 2.950 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -11.558 5.265 1.556 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -13.585 5.849 0.787 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -13.638 4.221 0.307 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -14.420 4.712 1.732 1.00 0.00 H new ATOM 1758 N ASP B 94 -10.495 2.372 -1.180 1.00 0.00 N ATOM 1759 CA ASP B 94 -11.442 1.547 -1.916 1.00 0.00 C ATOM 1760 C ASP B 94 -10.748 0.512 -2.780 1.00 0.00 C ATOM 1761 O ASP B 94 -11.018 -0.677 -2.663 1.00 0.00 O ATOM 1762 CB ASP B 94 -12.331 2.451 -2.775 1.00 0.00 C ATOM 1763 CG ASP B 94 -13.608 2.856 -2.066 1.00 0.00 C ATOM 1764 OD1 ASP B 94 -13.551 3.739 -1.185 1.00 0.00 O ATOM 1765 OD2 ASP B 94 -14.668 2.283 -2.382 1.00 0.00 O ATOM 0 H ASP B 94 -10.637 3.373 -1.315 1.00 0.00 H new ATOM 0 HA ASP B 94 -12.050 1.000 -1.196 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -11.774 3.346 -3.051 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -12.582 1.934 -3.701 1.00 0.00 H new ATOM 1770 N LEU B 95 -9.838 0.964 -3.621 1.00 0.00 N ATOM 1771 CA LEU B 95 -9.111 0.073 -4.517 1.00 0.00 C ATOM 1772 C LEU B 95 -8.284 -0.939 -3.735 1.00 0.00 C ATOM 1773 O LEU B 95 -8.192 -2.080 -4.135 1.00 0.00 O ATOM 1774 CB LEU B 95 -8.218 0.881 -5.459 1.00 0.00 C ATOM 1775 CG LEU B 95 -7.958 0.236 -6.820 1.00 0.00 C ATOM 1776 CD1 LEU B 95 -9.264 0.017 -7.569 1.00 0.00 C ATOM 1777 CD2 LEU B 95 -7.011 1.096 -7.638 1.00 0.00 C ATOM 0 H LEU B 95 -9.581 1.947 -3.706 1.00 0.00 H new ATOM 0 HA LEU B 95 -9.840 -0.478 -5.111 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -8.675 1.858 -5.619 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -7.261 1.054 -4.968 1.00 0.00 H new ATOM 0 HG LEU B 95 -7.492 -0.736 -6.658 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -9.057 -0.443 -8.535 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -9.912 -0.638 -6.987 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -9.761 0.975 -7.722 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.835 0.625 -8.605 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -7.453 2.081 -7.790 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -6.065 1.201 -7.107 1.00 0.00 H new ATOM 1789 N LEU B 96 -7.702 -0.535 -2.616 1.00 0.00 N ATOM 1790 CA LEU B 96 -6.908 -1.459 -1.800 1.00 0.00 C ATOM 1791 C LEU B 96 -7.848 -2.413 -1.085 1.00 0.00 C ATOM 1792 O LEU B 96 -7.592 -3.600 -0.996 1.00 0.00 O ATOM 1793 CB LEU B 96 -6.061 -0.708 -0.771 1.00 0.00 C ATOM 1794 CG LEU B 96 -4.766 -0.105 -1.304 1.00 0.00 C ATOM 1795 CD1 LEU B 96 -4.211 0.908 -0.317 1.00 0.00 C ATOM 1796 CD2 LEU B 96 -3.744 -1.196 -1.569 1.00 0.00 C ATOM 0 H LEU B 96 -7.760 0.415 -2.250 1.00 0.00 H new ATOM 0 HA LEU B 96 -6.231 -2.008 -2.455 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.665 0.092 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.816 -1.392 0.041 1.00 0.00 H new ATOM 0 HG LEU B 96 -4.981 0.404 -2.243 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -3.286 1.330 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -4.939 1.705 -0.166 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -4.009 0.416 0.634 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -2.825 -0.749 -1.949 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -3.532 -1.729 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -4.140 -1.894 -2.306 1.00 0.00 H new ATOM 1808 N GLN B 97 -8.952 -1.873 -0.595 1.00 0.00 N ATOM 1809 CA GLN B 97 -9.982 -2.651 0.089 1.00 0.00 C ATOM 1810 C GLN B 97 -10.536 -3.699 -0.876 1.00 0.00 C ATOM 1811 O GLN B 97 -11.140 -4.694 -0.485 1.00 0.00 O ATOM 1812 CB GLN B 97 -11.090 -1.692 0.544 1.00 0.00 C ATOM 1813 CG GLN B 97 -12.225 -2.342 1.305 1.00 0.00 C ATOM 1814 CD GLN B 97 -12.303 -1.865 2.743 1.00 0.00 C ATOM 1815 OE1 GLN B 97 -12.959 -0.869 3.046 1.00 0.00 O ATOM 1816 NE2 GLN B 97 -11.628 -2.564 3.639 1.00 0.00 N ATOM 0 H GLN B 97 -9.164 -0.877 -0.659 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.571 -3.162 0.959 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -10.646 -0.920 1.173 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -11.500 -1.192 -0.333 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -13.167 -2.126 0.802 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -12.096 -3.424 1.290 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -11.095 -3.384 3.350 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -11.640 -2.283 4.619 1.00 0.00 H new ATOM 1825 N GLN B 98 -10.311 -3.425 -2.146 1.00 0.00 N ATOM 1826 CA GLN B 98 -10.727 -4.265 -3.251 1.00 0.00 C ATOM 1827 C GLN B 98 -9.606 -5.225 -3.665 1.00 0.00 C ATOM 1828 O GLN B 98 -9.777 -6.439 -3.764 1.00 0.00 O ATOM 1829 CB GLN B 98 -11.051 -3.328 -4.418 1.00 0.00 C ATOM 1830 CG GLN B 98 -12.435 -2.710 -4.343 1.00 0.00 C ATOM 1831 CD GLN B 98 -12.727 -1.782 -5.504 1.00 0.00 C ATOM 1832 OE1 GLN B 98 -12.287 -2.012 -6.628 1.00 0.00 O ATOM 1833 NE2 GLN B 98 -13.461 -0.712 -5.235 1.00 0.00 N ATOM 0 H GLN B 98 -9.818 -2.584 -2.446 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.588 -4.868 -2.963 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -10.309 -2.530 -4.448 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.961 -3.882 -5.352 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -13.182 -3.504 -4.322 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -12.531 -2.157 -3.409 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -13.808 -0.556 -4.289 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -13.679 -0.044 -5.974 1.00 0.00 H new ATOM 1842 N LEU B 99 -8.457 -4.624 -3.890 1.00 0.00 N ATOM 1843 CA LEU B 99 -7.248 -5.286 -4.357 1.00 0.00 C ATOM 1844 C LEU B 99 -6.498 -6.111 -3.301 1.00 0.00 C ATOM 1845 O LEU B 99 -5.810 -7.071 -3.650 1.00 0.00 O ATOM 1846 CB LEU B 99 -6.328 -4.188 -4.887 1.00 0.00 C ATOM 1847 CG LEU B 99 -6.695 -3.648 -6.271 1.00 0.00 C ATOM 1848 CD1 LEU B 99 -5.886 -2.403 -6.588 1.00 0.00 C ATOM 1849 CD2 LEU B 99 -6.483 -4.697 -7.347 1.00 0.00 C ATOM 0 H LEU B 99 -8.330 -3.622 -3.748 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.545 -6.013 -5.113 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.330 -3.360 -4.178 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -5.309 -4.574 -4.923 1.00 0.00 H new ATOM 0 HG LEU B 99 -7.753 -3.388 -6.255 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -6.160 -2.033 -7.576 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -6.093 -1.635 -5.842 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -4.824 -2.646 -6.574 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.753 -4.282 -8.318 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.436 -4.999 -7.360 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -7.108 -5.565 -7.137 1.00 0.00 H new ATOM 1861 N LEU B 100 -6.606 -5.738 -2.041 1.00 0.00 N ATOM 1862 CA LEU B 100 -5.890 -6.432 -0.970 1.00 0.00 C ATOM 1863 C LEU B 100 -6.460 -7.819 -0.646 1.00 0.00 C ATOM 1864 O LEU B 100 -5.741 -8.809 -0.755 1.00 0.00 O ATOM 1865 CB LEU B 100 -5.829 -5.581 0.301 1.00 0.00 C ATOM 1866 CG LEU B 100 -4.852 -4.416 0.221 1.00 0.00 C ATOM 1867 CD1 LEU B 100 -4.798 -3.646 1.526 1.00 0.00 C ATOM 1868 CD2 LEU B 100 -3.476 -4.912 -0.135 1.00 0.00 C ATOM 0 H LEU B 100 -7.182 -4.958 -1.726 1.00 0.00 H new ATOM 0 HA LEU B 100 -4.880 -6.587 -1.351 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -6.825 -5.192 0.514 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -5.550 -6.219 1.140 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.206 -3.741 -0.558 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -4.091 -2.822 1.433 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -5.787 -3.251 1.757 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -4.477 -4.311 2.328 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -2.788 -4.068 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -3.133 -5.612 0.627 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -3.509 -5.415 -1.101 1.00 0.00 H new ATOM 1880 N PRO B 101 -7.755 -7.927 -0.269 1.00 0.00 N ATOM 1881 CA PRO B 101 -8.367 -9.215 0.107 1.00 0.00 C ATOM 1882 C PRO B 101 -8.288 -10.282 -0.975 1.00 0.00 C ATOM 1883 O PRO B 101 -8.414 -11.468 -0.688 1.00 0.00 O ATOM 1884 CB PRO B 101 -9.830 -8.862 0.398 1.00 0.00 C ATOM 1885 CG PRO B 101 -10.050 -7.549 -0.263 1.00 0.00 C ATOM 1886 CD PRO B 101 -8.737 -6.830 -0.183 1.00 0.00 C ATOM 0 HA PRO B 101 -7.836 -9.653 0.952 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -10.505 -9.621 0.002 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -10.015 -8.799 1.470 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -10.362 -7.680 -1.299 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -10.837 -6.985 0.238 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -8.617 -6.116 -0.998 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -8.638 -6.271 0.748 1.00 0.00 H new ATOM 1894 N LYS B 102 -8.064 -9.866 -2.210 1.00 0.00 N ATOM 1895 CA LYS B 102 -7.980 -10.808 -3.315 1.00 0.00 C ATOM 1896 C LYS B 102 -6.596 -11.469 -3.376 1.00 0.00 C ATOM 1897 O LYS B 102 -6.399 -12.439 -4.102 1.00 0.00 O ATOM 1898 CB LYS B 102 -8.310 -10.099 -4.633 1.00 0.00 C ATOM 1899 CG LYS B 102 -7.170 -9.279 -5.194 1.00 0.00 C ATOM 1900 CD LYS B 102 -7.574 -8.579 -6.479 1.00 0.00 C ATOM 1901 CE LYS B 102 -6.362 -8.167 -7.291 1.00 0.00 C ATOM 1902 NZ LYS B 102 -5.361 -7.440 -6.465 1.00 0.00 N ATOM 0 H LYS B 102 -7.938 -8.889 -2.473 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.712 -11.599 -3.152 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -8.604 -10.845 -5.371 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -9.170 -9.448 -4.478 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -6.855 -8.539 -4.458 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -6.313 -9.925 -5.383 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -8.203 -9.241 -7.073 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -8.172 -7.699 -6.243 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -5.899 -9.052 -7.726 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -6.678 -7.533 -8.119 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -4.927 -6.683 -7.031 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -5.831 -7.025 -5.635 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -4.624 -8.103 -6.150 1.00 0.00 H new ATOM 1916 N PHE B 103 -5.642 -10.930 -2.616 1.00 0.00 N ATOM 1917 CA PHE B 103 -4.281 -11.474 -2.580 1.00 0.00 C ATOM 1918 C PHE B 103 -3.875 -11.821 -1.152 1.00 0.00 C ATOM 1919 O PHE B 103 -2.760 -12.283 -0.914 1.00 0.00 O ATOM 1920 CB PHE B 103 -3.258 -10.466 -3.112 1.00 0.00 C ATOM 1921 CG PHE B 103 -3.295 -10.209 -4.593 1.00 0.00 C ATOM 1922 CD1 PHE B 103 -4.017 -11.013 -5.459 1.00 0.00 C ATOM 1923 CD2 PHE B 103 -2.590 -9.141 -5.111 1.00 0.00 C ATOM 1924 CE1 PHE B 103 -4.035 -10.748 -6.816 1.00 0.00 C ATOM 1925 CE2 PHE B 103 -2.601 -8.874 -6.459 1.00 0.00 C ATOM 1926 CZ PHE B 103 -3.323 -9.672 -7.318 1.00 0.00 C ATOM 0 H PHE B 103 -5.785 -10.117 -2.017 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.288 -12.365 -3.208 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.408 -9.518 -2.595 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.260 -10.818 -2.849 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -4.571 -11.855 -5.071 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -2.022 -8.506 -4.447 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -4.603 -11.379 -7.483 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -2.041 -8.035 -6.846 1.00 0.00 H new ATOM 0 HZ PHE B 103 -3.334 -9.460 -8.377 1.00 0.00 H new