USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 732 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 59 ASN : amide:sc= -3.51! K(o=-3.7!,f=-0.43) USER MOD Set 1.2: B 87 MET CE :methyl 141:sc= -0.217 (180deg=-0.823) USER MOD Set 2.1: B 77 ASN : amide:sc= -0.107 K(o=-1.6,f=-3.2!) USER MOD Set 2.2: B 80 ASN : amide:sc= -1.45! C(o=-1.6!,f=-9.8!) USER MOD Set 3.1: B 71 THR OG1 : rot -0:sc= 1.17 USER MOD Set 3.2: B 74 ASN : amide:sc= 0 K(o=1.2,f=0.55) USER MOD Set 4.1: B 62 LYS NZ :NH3+ 169:sc= 1.07 (180deg=-0.276) USER MOD Set 4.2: B 65 THR OG1 : rot 130:sc= 0.864 USER MOD Set 5.1: B 22 LYS NZ :NH3+ -152:sc= -3.04! (180deg=-4.82!) USER MOD Set 5.2: B 76 SER OG : rot -120:sc= 0.0357 USER MOD Set 6.1: B 10 MET CE :methyl -143:sc= -0.803 (180deg=-2.6!) USER MOD Set 6.2: B 12 SER OG : rot 164:sc=-0.00832 USER MOD Set 6.3: B 34 ASN : amide:sc= -4.69! C(o=-5.5!,f=-8.5!) USER MOD Single : B 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.1) USER MOD Single : B 3 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : B 4 LYS NZ :NH3+ 159:sc= 1.26 (180deg=1.13) USER MOD Single : B 9 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : B 11 ASN : amide:sc=-0.00412 K(o=-0.0041,f=-0.76) USER MOD Single : B 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 17 ASN : amide:sc= -2.42! C(o=-2.4!,f=-2.3!) USER MOD Single : B 19 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0216) USER MOD Single : B 21 ASN : amide:sc= -2.84! C(o=-2.8!,f=-2.6!) USER MOD Single : B 24 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0622) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 5:sc= 0.106 USER MOD Single : B 31 MET CE :methyl 180:sc= -0.267 (180deg=-0.267) USER MOD Single : B 32 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : B 35 GLN : amide:sc= -2.39! C(o=-2.4!,f=-3.8!) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 40 SER OG : rot 32:sc= 1.21 USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 ASN : amide:sc= -1.05 K(o=-1,f=-0.027) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0.0221 USER MOD Single : B 49 TYR OH : rot 180:sc= 0.0441 USER MOD Single : B 52 LYS NZ :NH3+ 173:sc= 0.768 (180deg=0.619) USER MOD Single : B 53 ASN : amide:sc= -0.378 X(o=-0.38,f=-0.58) USER MOD Single : B 64 TYR OH : rot 30:sc= -0.656 USER MOD Single : B 67 ASN : amide:sc= -1.46 K(o=-1.5,f=-2.1) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 SER OG : rot -26:sc= -0.134! USER MOD Single : B 81 LYS NZ :NH3+ -165:sc= -0.0234 (180deg=-0.258) USER MOD Single : B 83 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.31) USER MOD Single : B 85 LYS NZ :NH3+ -135:sc= -0.0739 (180deg=-0.349) USER MOD Single : B 88 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 LYS NZ :NH3+ 163:sc= 1.2 (180deg=1.08) USER MOD Single : B 93 GLN : amide:sc= -1.83 X(o=-1.8,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 1 11.808 7.534 16.312 1.00 0.00 N ATOM 2 CA ASP B 1 10.602 7.193 15.526 1.00 0.00 C ATOM 3 C ASP B 1 10.372 8.228 14.430 1.00 0.00 C ATOM 4 O ASP B 1 9.443 9.034 14.497 1.00 0.00 O ATOM 5 CB ASP B 1 9.380 7.111 16.448 1.00 0.00 C ATOM 6 CG ASP B 1 8.127 6.662 15.723 1.00 0.00 C ATOM 7 OD1 ASP B 1 8.054 5.478 15.333 1.00 0.00 O ATOM 8 OD2 ASP B 1 7.199 7.484 15.560 1.00 0.00 O1- ATOM 0 H1 ASP B 1 11.952 6.820 17.055 1.00 0.00 H new ATOM 0 H2 ASP B 1 12.637 7.553 15.685 1.00 0.00 H new ATOM 0 H3 ASP B 1 11.684 8.469 16.750 1.00 0.00 H new ATOM 0 HA ASP B 1 10.753 6.221 15.056 1.00 0.00 H new ATOM 0 HB2 ASP B 1 9.591 6.418 17.263 1.00 0.00 H new ATOM 0 HB3 ASP B 1 9.204 8.088 16.898 1.00 0.00 H new ATOM 15 N ASN B 2 11.239 8.223 13.428 1.00 0.00 N ATOM 16 CA ASN B 2 11.114 9.145 12.312 1.00 0.00 C ATOM 17 C ASN B 2 11.614 8.497 11.026 1.00 0.00 C ATOM 18 O ASN B 2 12.394 7.543 11.053 1.00 0.00 O ATOM 19 CB ASN B 2 11.879 10.443 12.594 1.00 0.00 C ATOM 20 CG ASN B 2 13.392 10.300 12.532 1.00 0.00 C ATOM 21 OD1 ASN B 2 13.954 9.249 12.839 1.00 0.00 O ATOM 22 ND2 ASN B 2 14.061 11.367 12.132 1.00 0.00 N ATOM 0 H ASN B 2 12.036 7.590 13.366 1.00 0.00 H new ATOM 0 HA ASN B 2 10.059 9.391 12.187 1.00 0.00 H new ATOM 0 HB2 ASN B 2 11.567 11.199 11.874 1.00 0.00 H new ATOM 0 HB3 ASN B 2 11.600 10.809 13.582 1.00 0.00 H new ATOM 0 HD21 ASN B 2 15.079 11.337 12.069 1.00 0.00 H new ATOM 0 HD22 ASN B 2 13.560 12.221 11.886 1.00 0.00 H new ATOM 29 N GLN B 3 11.148 9.034 9.905 1.00 0.00 N ATOM 30 CA GLN B 3 11.394 8.453 8.590 1.00 0.00 C ATOM 31 C GLN B 3 12.867 8.512 8.190 1.00 0.00 C ATOM 32 O GLN B 3 13.314 7.730 7.351 1.00 0.00 O ATOM 33 CB GLN B 3 10.544 9.183 7.550 1.00 0.00 C ATOM 34 CG GLN B 3 10.849 10.669 7.456 1.00 0.00 C ATOM 35 CD GLN B 3 9.907 11.405 6.531 1.00 0.00 C ATOM 36 OE1 GLN B 3 9.409 10.846 5.557 1.00 0.00 O ATOM 37 NE2 GLN B 3 9.650 12.666 6.832 1.00 0.00 N ATOM 0 H GLN B 3 10.588 9.886 9.882 1.00 0.00 H new ATOM 0 HA GLN B 3 11.118 7.400 8.637 1.00 0.00 H new ATOM 0 HB2 GLN B 3 10.704 8.724 6.574 1.00 0.00 H new ATOM 0 HB3 GLN B 3 9.490 9.051 7.795 1.00 0.00 H new ATOM 0 HG2 GLN B 3 10.792 11.110 8.451 1.00 0.00 H new ATOM 0 HG3 GLN B 3 11.873 10.803 7.106 1.00 0.00 H new ATOM 0 HE21 GLN B 3 10.084 13.094 7.650 1.00 0.00 H new ATOM 0 HE22 GLN B 3 9.018 13.211 6.246 1.00 0.00 H new ATOM 46 N LYS B 4 13.618 9.428 8.793 1.00 0.00 N ATOM 47 CA LYS B 4 15.008 9.618 8.464 1.00 0.00 C ATOM 48 C LYS B 4 15.851 8.424 8.912 1.00 0.00 C ATOM 49 O LYS B 4 16.885 8.124 8.320 1.00 0.00 O ATOM 50 CB LYS B 4 15.493 10.902 9.124 1.00 0.00 C ATOM 51 CG LYS B 4 16.945 11.185 8.865 1.00 0.00 C ATOM 52 CD LYS B 4 17.203 11.474 7.396 1.00 0.00 C ATOM 53 CE LYS B 4 18.674 11.730 7.118 1.00 0.00 C ATOM 54 NZ LYS B 4 19.498 10.508 7.307 1.00 0.00 N1+ ATOM 0 H LYS B 4 13.272 10.053 9.521 1.00 0.00 H new ATOM 0 HA LYS B 4 15.115 9.697 7.382 1.00 0.00 H new ATOM 0 HB2 LYS B 4 14.896 11.738 8.761 1.00 0.00 H new ATOM 0 HB3 LYS B 4 15.328 10.836 10.199 1.00 0.00 H new ATOM 0 HG2 LYS B 4 17.263 12.037 9.466 1.00 0.00 H new ATOM 0 HG3 LYS B 4 17.545 10.331 9.180 1.00 0.00 H new ATOM 0 HD2 LYS B 4 16.861 10.631 6.795 1.00 0.00 H new ATOM 0 HD3 LYS B 4 16.619 12.342 7.089 1.00 0.00 H new ATOM 0 HE2 LYS B 4 18.792 12.092 6.097 1.00 0.00 H new ATOM 0 HE3 LYS B 4 19.036 12.517 7.779 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 20.392 10.608 6.786 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 19.699 10.378 8.319 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 18.980 9.681 6.948 1.00 0.00 H new ATOM 68 N ALA B 5 15.398 7.737 9.950 1.00 0.00 N ATOM 69 CA ALA B 5 16.097 6.560 10.442 1.00 0.00 C ATOM 70 C ALA B 5 15.529 5.301 9.799 1.00 0.00 C ATOM 71 O ALA B 5 15.954 4.185 10.096 1.00 0.00 O ATOM 72 CB ALA B 5 15.996 6.479 11.956 1.00 0.00 C ATOM 0 H ALA B 5 14.551 7.974 10.467 1.00 0.00 H new ATOM 0 HA ALA B 5 17.150 6.641 10.172 1.00 0.00 H new ATOM 0 HB1 ALA B 5 16.524 5.593 12.309 1.00 0.00 H new ATOM 0 HB2 ALA B 5 16.444 7.369 12.399 1.00 0.00 H new ATOM 0 HB3 ALA B 5 14.948 6.417 12.248 1.00 0.00 H new ATOM 78 N LEU B 6 14.571 5.491 8.906 1.00 0.00 N ATOM 79 CA LEU B 6 13.909 4.380 8.243 1.00 0.00 C ATOM 80 C LEU B 6 14.140 4.425 6.738 1.00 0.00 C ATOM 81 O LEU B 6 13.343 3.898 5.964 1.00 0.00 O ATOM 82 CB LEU B 6 12.409 4.386 8.549 1.00 0.00 C ATOM 83 CG LEU B 6 12.045 4.163 10.018 1.00 0.00 C ATOM 84 CD1 LEU B 6 10.536 4.148 10.195 1.00 0.00 C ATOM 85 CD2 LEU B 6 12.652 2.866 10.535 1.00 0.00 C ATOM 0 H LEU B 6 14.233 6.411 8.623 1.00 0.00 H new ATOM 0 HA LEU B 6 14.341 3.456 8.627 1.00 0.00 H new ATOM 0 HB2 LEU B 6 11.993 5.341 8.229 1.00 0.00 H new ATOM 0 HB3 LEU B 6 11.929 3.612 7.950 1.00 0.00 H new ATOM 0 HG LEU B 6 12.456 4.988 10.599 1.00 0.00 H new ATOM 0 HD11 LEU B 6 10.294 3.988 11.246 1.00 0.00 H new ATOM 0 HD12 LEU B 6 10.122 5.102 9.868 1.00 0.00 H new ATOM 0 HD13 LEU B 6 10.108 3.343 9.598 1.00 0.00 H new ATOM 0 HD21 LEU B 6 12.380 2.729 11.581 1.00 0.00 H new ATOM 0 HD22 LEU B 6 12.274 2.028 9.949 1.00 0.00 H new ATOM 0 HD23 LEU B 6 13.737 2.911 10.445 1.00 0.00 H new ATOM 97 N GLU B 7 15.212 5.087 6.324 1.00 0.00 N ATOM 98 CA GLU B 7 15.553 5.167 4.911 1.00 0.00 C ATOM 99 C GLU B 7 15.814 3.777 4.335 1.00 0.00 C ATOM 100 O GLU B 7 15.219 3.392 3.328 1.00 0.00 O ATOM 101 CB GLU B 7 16.775 6.061 4.705 1.00 0.00 C ATOM 102 CG GLU B 7 16.607 7.446 5.304 1.00 0.00 C ATOM 103 CD GLU B 7 17.726 8.392 4.923 1.00 0.00 C ATOM 104 OE1 GLU B 7 17.623 9.037 3.859 1.00 0.00 O1- ATOM 105 OE2 GLU B 7 18.708 8.502 5.685 1.00 0.00 O ATOM 0 H GLU B 7 15.858 5.575 6.944 1.00 0.00 H new ATOM 0 HA GLU B 7 14.706 5.604 4.383 1.00 0.00 H new ATOM 0 HB2 GLU B 7 17.647 5.582 5.150 1.00 0.00 H new ATOM 0 HB3 GLU B 7 16.973 6.155 3.637 1.00 0.00 H new ATOM 0 HG2 GLU B 7 15.656 7.865 4.976 1.00 0.00 H new ATOM 0 HG3 GLU B 7 16.561 7.364 6.390 1.00 0.00 H new ATOM 112 N GLU B 8 16.693 3.019 4.983 1.00 0.00 N ATOM 113 CA GLU B 8 17.027 1.688 4.519 1.00 0.00 C ATOM 114 C GLU B 8 16.075 0.646 5.083 1.00 0.00 C ATOM 115 O GLU B 8 15.932 -0.449 4.539 1.00 0.00 O ATOM 116 CB GLU B 8 18.471 1.335 4.864 1.00 0.00 C ATOM 117 CG GLU B 8 19.488 2.296 4.272 1.00 0.00 C ATOM 118 CD GLU B 8 20.903 1.765 4.350 1.00 0.00 C ATOM 119 OE1 GLU B 8 21.525 1.867 5.431 1.00 0.00 O ATOM 120 OE2 GLU B 8 21.399 1.235 3.332 1.00 0.00 O1- ATOM 0 H GLU B 8 17.183 3.308 5.829 1.00 0.00 H new ATOM 0 HA GLU B 8 16.921 1.686 3.434 1.00 0.00 H new ATOM 0 HB2 GLU B 8 18.584 1.321 5.948 1.00 0.00 H new ATOM 0 HB3 GLU B 8 18.685 0.327 4.508 1.00 0.00 H new ATOM 0 HG2 GLU B 8 19.234 2.492 3.230 1.00 0.00 H new ATOM 0 HG3 GLU B 8 19.432 3.249 4.798 1.00 0.00 H new ATOM 127 N GLN B 9 15.430 0.997 6.170 1.00 0.00 N ATOM 128 CA GLN B 9 14.439 0.130 6.791 1.00 0.00 C ATOM 129 C GLN B 9 13.045 0.661 6.501 1.00 0.00 C ATOM 130 O GLN B 9 12.533 1.509 7.228 1.00 0.00 O ATOM 131 CB GLN B 9 14.654 0.038 8.303 1.00 0.00 C ATOM 132 CG GLN B 9 13.681 -0.910 8.984 1.00 0.00 C ATOM 133 CD GLN B 9 13.743 -0.843 10.495 1.00 0.00 C ATOM 134 OE1 GLN B 9 14.791 -0.565 11.082 1.00 0.00 O ATOM 135 NE2 GLN B 9 12.613 -1.097 11.138 1.00 0.00 N ATOM 0 H GLN B 9 15.571 1.885 6.652 1.00 0.00 H new ATOM 0 HA GLN B 9 14.548 -0.870 6.372 1.00 0.00 H new ATOM 0 HB2 GLN B 9 15.674 -0.293 8.500 1.00 0.00 H new ATOM 0 HB3 GLN B 9 14.551 1.031 8.740 1.00 0.00 H new ATOM 0 HG2 GLN B 9 12.668 -0.677 8.658 1.00 0.00 H new ATOM 0 HG3 GLN B 9 13.892 -1.930 8.663 1.00 0.00 H new ATOM 0 HE21 GLN B 9 11.768 -1.323 10.614 1.00 0.00 H new ATOM 0 HE22 GLN B 9 12.588 -1.066 12.157 1.00 0.00 H new ATOM 144 N MET B 10 12.438 0.159 5.439 1.00 0.00 N ATOM 145 CA MET B 10 11.160 0.669 4.978 1.00 0.00 C ATOM 146 C MET B 10 10.064 0.477 6.015 1.00 0.00 C ATOM 147 O MET B 10 9.881 -0.608 6.561 1.00 0.00 O ATOM 148 CB MET B 10 10.757 0.006 3.662 1.00 0.00 C ATOM 149 CG MET B 10 11.624 0.417 2.483 1.00 0.00 C ATOM 150 SD MET B 10 11.719 2.207 2.272 1.00 0.00 S ATOM 151 CE MET B 10 9.986 2.619 2.115 1.00 0.00 C ATOM 0 H MET B 10 12.813 -0.606 4.878 1.00 0.00 H new ATOM 0 HA MET B 10 11.282 1.740 4.816 1.00 0.00 H new ATOM 0 HB2 MET B 10 10.808 -1.076 3.780 1.00 0.00 H new ATOM 0 HB3 MET B 10 9.719 0.254 3.443 1.00 0.00 H new ATOM 0 HG2 MET B 10 12.629 0.019 2.621 1.00 0.00 H new ATOM 0 HG3 MET B 10 11.226 -0.031 1.572 1.00 0.00 H new ATOM 0 HE1 MET B 10 9.867 3.421 1.386 1.00 0.00 H new ATOM 0 HE2 MET B 10 9.432 1.741 1.782 1.00 0.00 H new ATOM 0 HE3 MET B 10 9.601 2.946 3.081 1.00 0.00 H new ATOM 161 N ASN B 11 9.356 1.556 6.287 1.00 0.00 N ATOM 162 CA ASN B 11 8.218 1.546 7.174 1.00 0.00 C ATOM 163 C ASN B 11 7.006 0.950 6.470 1.00 0.00 C ATOM 164 O ASN B 11 6.016 0.570 7.095 1.00 0.00 O ATOM 165 CB ASN B 11 7.898 2.971 7.601 1.00 0.00 C ATOM 166 CG ASN B 11 6.838 3.040 8.684 1.00 0.00 C ATOM 167 OD1 ASN B 11 6.727 2.145 9.526 1.00 0.00 O ATOM 168 ND2 ASN B 11 6.049 4.103 8.666 1.00 0.00 N ATOM 0 H ASN B 11 9.561 2.474 5.891 1.00 0.00 H new ATOM 0 HA ASN B 11 8.457 0.940 8.048 1.00 0.00 H new ATOM 0 HB2 ASN B 11 8.809 3.450 7.960 1.00 0.00 H new ATOM 0 HB3 ASN B 11 7.561 3.538 6.733 1.00 0.00 H new ATOM 0 HD21 ASN B 11 5.315 4.205 9.367 1.00 0.00 H new ATOM 0 HD22 ASN B 11 6.175 4.820 7.952 1.00 0.00 H new ATOM 175 N SER B 12 7.106 0.869 5.155 1.00 0.00 N ATOM 176 CA SER B 12 6.021 0.388 4.310 1.00 0.00 C ATOM 177 C SER B 12 5.730 -1.086 4.566 1.00 0.00 C ATOM 178 O SER B 12 4.727 -1.619 4.097 1.00 0.00 O ATOM 179 CB SER B 12 6.385 0.604 2.843 1.00 0.00 C ATOM 180 OG SER B 12 6.838 1.931 2.635 1.00 0.00 O ATOM 0 H SER B 12 7.944 1.135 4.639 1.00 0.00 H new ATOM 0 HA SER B 12 5.120 0.952 4.552 1.00 0.00 H new ATOM 0 HB2 SER B 12 7.161 -0.102 2.547 1.00 0.00 H new ATOM 0 HB3 SER B 12 5.517 0.407 2.214 1.00 0.00 H new ATOM 0 HG SER B 12 7.303 1.987 1.774 1.00 0.00 H new ATOM 186 N ILE B 13 6.612 -1.726 5.321 1.00 0.00 N ATOM 187 CA ILE B 13 6.480 -3.130 5.646 1.00 0.00 C ATOM 188 C ILE B 13 5.163 -3.417 6.366 1.00 0.00 C ATOM 189 O ILE B 13 4.338 -4.203 5.896 1.00 0.00 O ATOM 190 CB ILE B 13 7.652 -3.580 6.539 1.00 0.00 C ATOM 191 CG1 ILE B 13 8.983 -3.298 5.844 1.00 0.00 C ATOM 192 CG2 ILE B 13 7.533 -5.053 6.894 1.00 0.00 C ATOM 193 CD1 ILE B 13 9.248 -4.167 4.629 1.00 0.00 C ATOM 0 H ILE B 13 7.438 -1.282 5.723 1.00 0.00 H new ATOM 0 HA ILE B 13 6.491 -3.686 4.709 1.00 0.00 H new ATOM 0 HB ILE B 13 7.615 -3.009 7.467 1.00 0.00 H new ATOM 0 HG12 ILE B 13 9.006 -2.252 5.540 1.00 0.00 H new ATOM 0 HG13 ILE B 13 9.791 -3.440 6.561 1.00 0.00 H new ATOM 0 HG21 ILE B 13 8.373 -5.344 7.525 1.00 0.00 H new ATOM 0 HG22 ILE B 13 6.600 -5.224 7.431 1.00 0.00 H new ATOM 0 HG23 ILE B 13 7.541 -5.649 5.981 1.00 0.00 H new ATOM 0 HD11 ILE B 13 10.212 -3.902 4.196 1.00 0.00 H new ATOM 0 HD12 ILE B 13 9.260 -5.215 4.927 1.00 0.00 H new ATOM 0 HD13 ILE B 13 8.463 -4.009 3.890 1.00 0.00 H new ATOM 205 N ASN B 14 4.976 -2.778 7.515 1.00 0.00 N ATOM 206 CA ASN B 14 3.815 -3.035 8.350 1.00 0.00 C ATOM 207 C ASN B 14 2.816 -1.888 8.291 1.00 0.00 C ATOM 208 O ASN B 14 1.604 -2.110 8.318 1.00 0.00 O ATOM 209 CB ASN B 14 4.252 -3.243 9.796 1.00 0.00 C ATOM 210 CG ASN B 14 5.316 -4.313 9.941 1.00 0.00 C ATOM 211 OD1 ASN B 14 5.012 -5.497 10.070 1.00 0.00 O ATOM 212 ND2 ASN B 14 6.576 -3.899 9.932 1.00 0.00 N ATOM 0 H ASN B 14 5.617 -2.077 7.888 1.00 0.00 H new ATOM 0 HA ASN B 14 3.329 -3.934 7.971 1.00 0.00 H new ATOM 0 HB2 ASN B 14 4.633 -2.303 10.194 1.00 0.00 H new ATOM 0 HB3 ASN B 14 3.385 -3.516 10.397 1.00 0.00 H new ATOM 0 HD21 ASN B 14 7.335 -4.573 10.035 1.00 0.00 H new ATOM 0 HD22 ASN B 14 6.786 -2.907 9.822 1.00 0.00 H new ATOM 219 N SER B 15 3.330 -0.665 8.206 1.00 0.00 N ATOM 220 CA SER B 15 2.507 0.527 8.328 1.00 0.00 C ATOM 221 C SER B 15 1.380 0.547 7.303 1.00 0.00 C ATOM 222 O SER B 15 0.253 0.878 7.644 1.00 0.00 O ATOM 223 CB SER B 15 3.366 1.789 8.198 1.00 0.00 C ATOM 224 OG SER B 15 2.617 2.959 8.491 1.00 0.00 O ATOM 0 H SER B 15 4.320 -0.476 8.052 1.00 0.00 H new ATOM 0 HA SER B 15 2.052 0.507 9.318 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.218 1.722 8.874 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.766 1.856 7.186 1.00 0.00 H new ATOM 0 HG SER B 15 3.193 3.747 8.401 1.00 0.00 H new ATOM 230 N VAL B 16 1.675 0.157 6.064 1.00 0.00 N ATOM 231 CA VAL B 16 0.680 0.218 4.988 1.00 0.00 C ATOM 232 C VAL B 16 -0.509 -0.692 5.287 1.00 0.00 C ATOM 233 O VAL B 16 -1.661 -0.334 5.027 1.00 0.00 O ATOM 234 CB VAL B 16 1.281 -0.175 3.622 1.00 0.00 C ATOM 235 CG1 VAL B 16 0.233 -0.081 2.520 1.00 0.00 C ATOM 236 CG2 VAL B 16 2.479 0.694 3.289 1.00 0.00 C ATOM 0 H VAL B 16 2.586 -0.202 5.779 1.00 0.00 H new ATOM 0 HA VAL B 16 0.344 1.254 4.937 1.00 0.00 H new ATOM 0 HB VAL B 16 1.616 -1.210 3.689 1.00 0.00 H new ATOM 0 HG11 VAL B 16 0.681 -0.363 1.567 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -0.594 -0.755 2.746 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -0.139 0.942 2.458 1.00 0.00 H new ATOM 0 HG21 VAL B 16 2.885 0.398 2.322 1.00 0.00 H new ATOM 0 HG22 VAL B 16 2.171 1.739 3.249 1.00 0.00 H new ATOM 0 HG23 VAL B 16 3.243 0.570 4.057 1.00 0.00 H new ATOM 246 N ASN B 17 -0.211 -1.856 5.849 1.00 0.00 N ATOM 247 CA ASN B 17 -1.230 -2.840 6.202 1.00 0.00 C ATOM 248 C ASN B 17 -2.222 -2.236 7.183 1.00 0.00 C ATOM 249 O ASN B 17 -3.432 -2.214 6.944 1.00 0.00 O ATOM 250 CB ASN B 17 -0.556 -4.053 6.841 1.00 0.00 C ATOM 251 CG ASN B 17 -1.433 -5.290 6.869 1.00 0.00 C ATOM 252 OD1 ASN B 17 -2.658 -5.218 6.951 1.00 0.00 O ATOM 253 ND2 ASN B 17 -0.790 -6.437 6.788 1.00 0.00 N ATOM 0 H ASN B 17 0.741 -2.146 6.073 1.00 0.00 H new ATOM 0 HA ASN B 17 -1.763 -3.144 5.301 1.00 0.00 H new ATOM 0 HB2 ASN B 17 0.360 -4.279 6.295 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -0.265 -3.801 7.861 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -1.310 -7.315 6.792 1.00 0.00 H new ATOM 0 HD22 ASN B 17 0.228 -6.448 6.722 1.00 0.00 H new ATOM 260 N ASP B 18 -1.681 -1.730 8.279 1.00 0.00 N ATOM 261 CA ASP B 18 -2.481 -1.132 9.338 1.00 0.00 C ATOM 262 C ASP B 18 -3.131 0.168 8.881 1.00 0.00 C ATOM 263 O ASP B 18 -4.277 0.451 9.234 1.00 0.00 O ATOM 264 CB ASP B 18 -1.607 -0.864 10.559 1.00 0.00 C ATOM 265 CG ASP B 18 -2.018 -1.681 11.764 1.00 0.00 C ATOM 266 OD1 ASP B 18 -2.993 -1.295 12.444 1.00 0.00 O ATOM 267 OD2 ASP B 18 -1.362 -2.704 12.050 1.00 0.00 O1- ATOM 0 H ASP B 18 -0.677 -1.722 8.461 1.00 0.00 H new ATOM 0 HA ASP B 18 -3.273 -1.835 9.596 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -0.569 -1.085 10.313 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -1.656 0.196 10.810 1.00 0.00 H new ATOM 272 N LYS B 19 -2.376 0.962 8.126 1.00 0.00 N ATOM 273 CA LYS B 19 -2.838 2.208 7.566 1.00 0.00 C ATOM 274 C LYS B 19 -4.181 2.046 6.860 1.00 0.00 C ATOM 275 O LYS B 19 -5.187 2.607 7.290 1.00 0.00 O ATOM 276 CB LYS B 19 -1.765 2.651 6.592 1.00 0.00 C ATOM 277 CG LYS B 19 -1.779 4.102 6.248 1.00 0.00 C ATOM 278 CD LYS B 19 -2.894 4.429 5.275 1.00 0.00 C ATOM 279 CE LYS B 19 -2.872 5.878 4.837 1.00 0.00 C ATOM 280 NZ LYS B 19 -3.118 6.819 5.964 1.00 0.00 N1+ ATOM 0 H LYS B 19 -1.409 0.744 7.888 1.00 0.00 H new ATOM 0 HA LYS B 19 -3.000 2.948 8.349 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -0.790 2.403 7.013 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -1.871 2.075 5.673 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -1.902 4.692 7.156 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -0.820 4.384 5.813 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -2.808 3.786 4.399 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -3.855 4.207 5.740 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -1.906 6.103 4.385 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -3.628 6.033 4.067 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -3.177 7.791 5.598 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -4.012 6.571 6.434 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -2.337 6.753 6.648 1.00 0.00 H new ATOM 294 N LEU B 20 -4.165 1.308 5.760 1.00 0.00 N ATOM 295 CA LEU B 20 -5.377 0.983 5.020 1.00 0.00 C ATOM 296 C LEU B 20 -6.447 0.392 5.924 1.00 0.00 C ATOM 297 O LEU B 20 -7.492 1.005 6.151 1.00 0.00 O ATOM 298 CB LEU B 20 -5.058 -0.018 3.908 1.00 0.00 C ATOM 299 CG LEU B 20 -4.578 0.586 2.598 1.00 0.00 C ATOM 300 CD1 LEU B 20 -4.016 -0.497 1.689 1.00 0.00 C ATOM 301 CD2 LEU B 20 -5.723 1.309 1.911 1.00 0.00 C ATOM 0 H LEU B 20 -3.314 0.918 5.355 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.758 1.911 4.595 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -4.295 -0.706 4.271 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -5.952 -0.609 3.709 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.785 1.303 2.811 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -3.677 -0.048 0.755 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -3.176 -0.987 2.182 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -4.792 -1.233 1.477 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -5.371 1.739 0.973 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -6.529 0.604 1.707 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -6.092 2.104 2.559 1.00 0.00 H new ATOM 313 N ASN B 21 -6.166 -0.807 6.434 1.00 0.00 N ATOM 314 CA ASN B 21 -7.138 -1.648 7.114 1.00 0.00 C ATOM 315 C ASN B 21 -8.242 -2.102 6.136 1.00 0.00 C ATOM 316 O ASN B 21 -8.972 -3.058 6.402 1.00 0.00 O ATOM 317 CB ASN B 21 -7.690 -0.913 8.317 1.00 0.00 C ATOM 318 CG ASN B 21 -8.531 -1.785 9.225 1.00 0.00 C ATOM 319 OD1 ASN B 21 -9.484 -1.321 9.847 1.00 0.00 O ATOM 320 ND2 ASN B 21 -8.161 -3.046 9.336 1.00 0.00 N ATOM 0 H ASN B 21 -5.237 -1.225 6.383 1.00 0.00 H new ATOM 0 HA ASN B 21 -6.653 -2.555 7.475 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -6.861 -0.498 8.891 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -8.293 -0.072 7.974 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -8.672 -3.675 9.956 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -7.364 -3.392 8.802 1.00 0.00 H new ATOM 327 N LYS B 22 -8.365 -1.368 5.020 1.00 0.00 N ATOM 328 CA LYS B 22 -9.020 -1.831 3.794 1.00 0.00 C ATOM 329 C LYS B 22 -10.529 -1.681 3.788 1.00 0.00 C ATOM 330 O LYS B 22 -11.126 -1.425 2.741 1.00 0.00 O ATOM 331 CB LYS B 22 -8.673 -3.287 3.499 1.00 0.00 C ATOM 332 CG LYS B 22 -7.206 -3.528 3.201 1.00 0.00 C ATOM 333 CD LYS B 22 -6.939 -5.000 2.966 1.00 0.00 C ATOM 334 CE LYS B 22 -7.627 -5.514 1.706 1.00 0.00 C ATOM 335 NZ LYS B 22 -7.048 -4.918 0.472 1.00 0.00 N1+ ATOM 0 H LYS B 22 -8.004 -0.417 4.946 1.00 0.00 H new ATOM 0 HA LYS B 22 -8.630 -1.175 3.016 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -8.964 -3.898 4.353 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -9.265 -3.625 2.649 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -6.910 -2.955 2.322 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -6.598 -3.172 4.033 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -5.865 -5.165 2.885 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -7.285 -5.573 3.827 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -7.537 -6.599 1.661 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -8.691 -5.284 1.755 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -7.773 -4.888 -0.273 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -6.720 -3.952 0.674 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -6.246 -5.496 0.151 1.00 0.00 H new ATOM 349 N GLY B 23 -11.151 -1.851 4.932 1.00 0.00 N ATOM 350 CA GLY B 23 -12.581 -2.004 4.934 1.00 0.00 C ATOM 351 C GLY B 23 -12.943 -3.459 4.954 1.00 0.00 C ATOM 352 O GLY B 23 -13.219 -4.013 3.917 1.00 0.00 O ATOM 0 H GLY B 23 -10.702 -1.886 5.847 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -13.007 -1.503 5.803 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -13.007 -1.527 4.051 1.00 0.00 H new ATOM 356 N LYS B 24 -12.884 -4.082 6.130 1.00 0.00 N ATOM 357 CA LYS B 24 -13.335 -5.468 6.323 1.00 0.00 C ATOM 358 C LYS B 24 -12.511 -6.505 5.542 1.00 0.00 C ATOM 359 O LYS B 24 -11.951 -7.423 6.140 1.00 0.00 O ATOM 360 CB LYS B 24 -14.805 -5.555 5.938 1.00 0.00 C ATOM 361 CG LYS B 24 -15.658 -4.548 6.670 1.00 0.00 C ATOM 362 CD LYS B 24 -15.598 -4.796 8.151 1.00 0.00 C ATOM 363 CE LYS B 24 -16.491 -3.840 8.932 1.00 0.00 C ATOM 364 NZ LYS B 24 -17.934 -4.093 8.688 1.00 0.00 N1+ ATOM 0 H LYS B 24 -12.523 -3.645 6.978 1.00 0.00 H new ATOM 0 HA LYS B 24 -13.190 -5.717 7.374 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -14.905 -5.398 4.864 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -15.173 -6.559 6.149 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -15.312 -3.538 6.449 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -16.690 -4.615 6.324 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -15.899 -5.823 8.358 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -14.569 -4.691 8.494 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -16.282 -3.939 9.997 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -16.252 -2.814 8.654 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -18.503 -3.502 9.327 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -18.165 -3.859 7.701 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -18.145 -5.096 8.865 1.00 0.00 H new ATOM 378 N GLY B 25 -12.496 -6.358 4.218 1.00 0.00 N ATOM 379 CA GLY B 25 -11.756 -7.230 3.311 1.00 0.00 C ATOM 380 C GLY B 25 -10.459 -7.766 3.894 1.00 0.00 C ATOM 381 O GLY B 25 -9.480 -7.035 4.043 1.00 0.00 O ATOM 0 H GLY B 25 -13.007 -5.617 3.739 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -12.392 -8.070 3.031 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -11.532 -6.681 2.396 1.00 0.00 H new ATOM 385 N LYS B 26 -10.461 -9.053 4.206 1.00 0.00 N ATOM 386 CA LYS B 26 -9.317 -9.716 4.817 1.00 0.00 C ATOM 387 C LYS B 26 -8.269 -9.993 3.750 1.00 0.00 C ATOM 388 O LYS B 26 -8.618 -10.115 2.580 1.00 0.00 O ATOM 389 CB LYS B 26 -9.795 -11.016 5.478 1.00 0.00 C ATOM 390 CG LYS B 26 -9.226 -12.293 4.874 1.00 0.00 C ATOM 391 CD LYS B 26 -9.805 -13.538 5.535 1.00 0.00 C ATOM 392 CE LYS B 26 -11.311 -13.646 5.331 1.00 0.00 C ATOM 393 NZ LYS B 26 -11.864 -14.889 5.929 1.00 0.00 N1+ ATOM 0 H LYS B 26 -11.257 -9.669 4.043 1.00 0.00 H new ATOM 0 HA LYS B 26 -8.866 -9.081 5.580 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -9.534 -10.985 6.536 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -10.883 -11.057 5.419 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -9.439 -12.316 3.805 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -8.141 -12.295 4.983 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -9.320 -14.424 5.126 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -9.584 -13.517 6.602 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -11.801 -12.780 5.776 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -11.535 -13.625 4.265 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -12.891 -14.924 5.769 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -11.416 -15.716 5.486 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -11.673 -14.897 6.951 1.00 0.00 H new ATOM 407 N LEU B 27 -6.998 -10.075 4.123 1.00 0.00 N ATOM 408 CA LEU B 27 -5.967 -10.335 3.152 1.00 0.00 C ATOM 409 C LEU B 27 -4.672 -10.786 3.819 1.00 0.00 C ATOM 410 O LEU B 27 -4.536 -10.729 5.041 1.00 0.00 O ATOM 411 CB LEU B 27 -5.726 -9.087 2.307 1.00 0.00 C ATOM 412 CG LEU B 27 -4.673 -8.111 2.823 1.00 0.00 C ATOM 413 CD1 LEU B 27 -4.423 -7.034 1.781 1.00 0.00 C ATOM 414 CD2 LEU B 27 -5.095 -7.493 4.150 1.00 0.00 C ATOM 0 H LEU B 27 -6.668 -9.965 5.082 1.00 0.00 H new ATOM 0 HA LEU B 27 -6.303 -11.147 2.507 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -5.436 -9.404 1.305 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -6.671 -8.551 2.212 1.00 0.00 H new ATOM 0 HG LEU B 27 -3.747 -8.659 2.999 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.671 -6.337 2.151 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -4.069 -7.495 0.859 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -5.350 -6.496 1.584 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.324 -6.802 4.491 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -6.033 -6.953 4.018 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.231 -8.280 4.891 1.00 0.00 H new ATOM 426 N SER B 28 -3.738 -11.237 3.000 1.00 0.00 N ATOM 427 CA SER B 28 -2.432 -11.680 3.463 1.00 0.00 C ATOM 428 C SER B 28 -1.319 -10.981 2.687 1.00 0.00 C ATOM 429 O SER B 28 -1.183 -11.194 1.483 1.00 0.00 O ATOM 430 CB SER B 28 -2.319 -13.188 3.275 1.00 0.00 C ATOM 431 OG SER B 28 -3.069 -13.889 4.258 1.00 0.00 O ATOM 0 H SER B 28 -3.864 -11.307 1.990 1.00 0.00 H new ATOM 0 HA SER B 28 -2.327 -11.428 4.518 1.00 0.00 H new ATOM 0 HB2 SER B 28 -2.674 -13.460 2.281 1.00 0.00 H new ATOM 0 HB3 SER B 28 -1.272 -13.486 3.332 1.00 0.00 H new ATOM 0 HG SER B 28 -2.979 -14.854 4.111 1.00 0.00 H new ATOM 437 N LEU B 29 -0.531 -10.144 3.362 1.00 0.00 N ATOM 438 CA LEU B 29 0.542 -9.420 2.690 1.00 0.00 C ATOM 439 C LEU B 29 1.815 -10.250 2.567 1.00 0.00 C ATOM 440 O LEU B 29 2.044 -11.209 3.306 1.00 0.00 O ATOM 441 CB LEU B 29 0.863 -8.106 3.405 1.00 0.00 C ATOM 442 CG LEU B 29 -0.124 -6.958 3.168 1.00 0.00 C ATOM 443 CD1 LEU B 29 -1.489 -7.277 3.741 1.00 0.00 C ATOM 444 CD2 LEU B 29 0.407 -5.674 3.774 1.00 0.00 C ATOM 0 H LEU B 29 -0.615 -9.954 4.361 1.00 0.00 H new ATOM 0 HA LEU B 29 0.176 -9.204 1.686 1.00 0.00 H new ATOM 0 HB2 LEU B 29 0.914 -8.301 4.476 1.00 0.00 H new ATOM 0 HB3 LEU B 29 1.854 -7.778 3.093 1.00 0.00 H new ATOM 0 HG LEU B 29 -0.231 -6.828 2.091 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -2.165 -6.442 3.556 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.882 -8.175 3.265 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.403 -7.443 4.815 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -0.304 -4.867 3.598 1.00 0.00 H new ATOM 0 HD22 LEU B 29 0.545 -5.808 4.847 1.00 0.00 H new ATOM 0 HD23 LEU B 29 1.362 -5.422 3.314 1.00 0.00 H new ATOM 456 N SER B 30 2.628 -9.840 1.615 1.00 0.00 N ATOM 457 CA SER B 30 3.905 -10.446 1.314 1.00 0.00 C ATOM 458 C SER B 30 4.831 -9.367 0.752 1.00 0.00 C ATOM 459 O SER B 30 4.357 -8.372 0.202 1.00 0.00 O ATOM 460 CB SER B 30 3.710 -11.579 0.312 1.00 0.00 C ATOM 461 OG SER B 30 2.682 -11.271 -0.618 1.00 0.00 O ATOM 0 H SER B 30 2.409 -9.049 1.010 1.00 0.00 H new ATOM 0 HA SER B 30 4.353 -10.867 2.214 1.00 0.00 H new ATOM 0 HB2 SER B 30 4.643 -11.761 -0.221 1.00 0.00 H new ATOM 0 HB3 SER B 30 3.461 -12.498 0.842 1.00 0.00 H new ATOM 0 HG SER B 30 2.370 -10.354 -0.469 1.00 0.00 H new ATOM 467 N MET B 31 6.133 -9.551 0.887 1.00 0.00 N ATOM 468 CA MET B 31 7.079 -8.477 0.603 1.00 0.00 C ATOM 469 C MET B 31 8.094 -8.888 -0.459 1.00 0.00 C ATOM 470 O MET B 31 8.582 -10.019 -0.457 1.00 0.00 O ATOM 471 CB MET B 31 7.793 -8.094 1.901 1.00 0.00 C ATOM 472 CG MET B 31 6.830 -7.899 3.060 1.00 0.00 C ATOM 473 SD MET B 31 7.646 -7.853 4.664 1.00 0.00 S ATOM 474 CE MET B 31 6.225 -7.988 5.748 1.00 0.00 C ATOM 0 H MET B 31 6.561 -10.426 1.189 1.00 0.00 H new ATOM 0 HA MET B 31 6.531 -7.621 0.210 1.00 0.00 H new ATOM 0 HB2 MET B 31 8.513 -8.871 2.158 1.00 0.00 H new ATOM 0 HB3 MET B 31 8.358 -7.175 1.744 1.00 0.00 H new ATOM 0 HG2 MET B 31 6.279 -6.970 2.913 1.00 0.00 H new ATOM 0 HG3 MET B 31 6.098 -8.707 3.055 1.00 0.00 H new ATOM 0 HE1 MET B 31 6.557 -7.975 6.786 1.00 0.00 H new ATOM 0 HE2 MET B 31 5.552 -7.149 5.571 1.00 0.00 H new ATOM 0 HE3 MET B 31 5.701 -8.922 5.546 1.00 0.00 H new ATOM 484 N ASN B 32 8.395 -7.972 -1.374 1.00 0.00 N ATOM 485 CA ASN B 32 9.399 -8.218 -2.410 1.00 0.00 C ATOM 486 C ASN B 32 10.039 -6.907 -2.854 1.00 0.00 C ATOM 487 O ASN B 32 9.400 -6.105 -3.534 1.00 0.00 O ATOM 488 CB ASN B 32 8.771 -8.918 -3.619 1.00 0.00 C ATOM 489 CG ASN B 32 9.800 -9.244 -4.689 1.00 0.00 C ATOM 490 OD1 ASN B 32 10.981 -9.439 -4.396 1.00 0.00 O ATOM 491 ND2 ASN B 32 9.360 -9.316 -5.933 1.00 0.00 N ATOM 0 H ASN B 32 7.959 -7.051 -1.421 1.00 0.00 H new ATOM 0 HA ASN B 32 10.167 -8.866 -1.987 1.00 0.00 H new ATOM 0 HB2 ASN B 32 8.284 -9.837 -3.293 1.00 0.00 H new ATOM 0 HB3 ASN B 32 7.996 -8.280 -4.044 1.00 0.00 H new ATOM 0 HD21 ASN B 32 10.006 -9.540 -6.690 1.00 0.00 H new ATOM 0 HD22 ASN B 32 8.375 -9.148 -6.136 1.00 0.00 H new ATOM 498 N GLY B 33 11.296 -6.690 -2.473 1.00 0.00 N ATOM 499 CA GLY B 33 11.956 -5.430 -2.781 1.00 0.00 C ATOM 500 C GLY B 33 11.392 -4.310 -1.948 1.00 0.00 C ATOM 501 O GLY B 33 11.838 -4.071 -0.825 1.00 0.00 O ATOM 0 H GLY B 33 11.868 -7.360 -1.959 1.00 0.00 H new ATOM 0 HA2 GLY B 33 13.027 -5.521 -2.598 1.00 0.00 H new ATOM 0 HA3 GLY B 33 11.832 -5.199 -3.839 1.00 0.00 H new ATOM 505 N ASN B 34 10.409 -3.630 -2.497 1.00 0.00 N ATOM 506 CA ASN B 34 9.651 -2.647 -1.751 1.00 0.00 C ATOM 507 C ASN B 34 8.177 -2.824 -2.044 1.00 0.00 C ATOM 508 O ASN B 34 7.341 -2.012 -1.653 1.00 0.00 O ATOM 509 CB ASN B 34 10.096 -1.248 -2.107 1.00 0.00 C ATOM 510 CG ASN B 34 10.535 -0.448 -0.899 1.00 0.00 C ATOM 511 OD1 ASN B 34 9.734 0.221 -0.249 1.00 0.00 O ATOM 512 ND2 ASN B 34 11.822 -0.501 -0.598 1.00 0.00 N ATOM 0 H ASN B 34 10.113 -3.741 -3.467 1.00 0.00 H new ATOM 0 HA ASN B 34 9.827 -2.794 -0.685 1.00 0.00 H new ATOM 0 HB2 ASN B 34 10.919 -1.303 -2.819 1.00 0.00 H new ATOM 0 HB3 ASN B 34 9.278 -0.727 -2.605 1.00 0.00 H new ATOM 0 HD21 ASN B 34 12.182 0.025 0.198 1.00 0.00 H new ATOM 0 HD22 ASN B 34 12.455 -1.068 -1.162 1.00 0.00 H new ATOM 519 N GLN B 35 7.870 -3.903 -2.754 1.00 0.00 N ATOM 520 CA GLN B 35 6.501 -4.213 -3.107 1.00 0.00 C ATOM 521 C GLN B 35 5.781 -4.811 -1.926 1.00 0.00 C ATOM 522 O GLN B 35 6.376 -5.505 -1.095 1.00 0.00 O ATOM 523 CB GLN B 35 6.428 -5.201 -4.266 1.00 0.00 C ATOM 524 CG GLN B 35 7.051 -4.696 -5.551 1.00 0.00 C ATOM 525 CD GLN B 35 7.015 -5.729 -6.658 1.00 0.00 C ATOM 526 OE1 GLN B 35 6.043 -5.817 -7.407 1.00 0.00 O ATOM 527 NE2 GLN B 35 8.079 -6.505 -6.781 1.00 0.00 N ATOM 0 H GLN B 35 8.557 -4.576 -3.095 1.00 0.00 H new ATOM 0 HA GLN B 35 6.028 -3.278 -3.408 1.00 0.00 H new ATOM 0 HB2 GLN B 35 6.925 -6.126 -3.973 1.00 0.00 H new ATOM 0 HB3 GLN B 35 5.383 -5.447 -4.454 1.00 0.00 H new ATOM 0 HG2 GLN B 35 6.525 -3.799 -5.878 1.00 0.00 H new ATOM 0 HG3 GLN B 35 8.085 -4.408 -5.361 1.00 0.00 H new ATOM 0 HE21 GLN B 35 8.864 -6.399 -6.139 1.00 0.00 H new ATOM 0 HE22 GLN B 35 8.114 -7.209 -7.518 1.00 0.00 H new ATOM 536 N LEU B 36 4.500 -4.567 -1.887 1.00 0.00 N ATOM 537 CA LEU B 36 3.653 -5.099 -0.851 1.00 0.00 C ATOM 538 C LEU B 36 2.510 -5.840 -1.509 1.00 0.00 C ATOM 539 O LEU B 36 1.488 -5.261 -1.871 1.00 0.00 O ATOM 540 CB LEU B 36 3.131 -3.984 0.037 1.00 0.00 C ATOM 541 CG LEU B 36 2.659 -4.415 1.425 1.00 0.00 C ATOM 542 CD1 LEU B 36 3.740 -5.208 2.149 1.00 0.00 C ATOM 543 CD2 LEU B 36 2.264 -3.195 2.239 1.00 0.00 C ATOM 0 H LEU B 36 4.011 -3.992 -2.574 1.00 0.00 H new ATOM 0 HA LEU B 36 4.221 -5.781 -0.218 1.00 0.00 H new ATOM 0 HB2 LEU B 36 3.918 -3.239 0.155 1.00 0.00 H new ATOM 0 HB3 LEU B 36 2.302 -3.494 -0.474 1.00 0.00 H new ATOM 0 HG LEU B 36 1.790 -5.062 1.307 1.00 0.00 H new ATOM 0 HD11 LEU B 36 3.377 -5.502 3.134 1.00 0.00 H new ATOM 0 HD12 LEU B 36 3.986 -6.099 1.572 1.00 0.00 H new ATOM 0 HD13 LEU B 36 4.631 -4.591 2.260 1.00 0.00 H new ATOM 0 HD21 LEU B 36 1.929 -3.510 3.227 1.00 0.00 H new ATOM 0 HD22 LEU B 36 3.123 -2.532 2.342 1.00 0.00 H new ATOM 0 HD23 LEU B 36 1.456 -2.666 1.733 1.00 0.00 H new ATOM 555 N LYS B 37 2.717 -7.120 -1.672 1.00 0.00 N ATOM 556 CA LYS B 37 1.816 -7.959 -2.431 1.00 0.00 C ATOM 557 C LYS B 37 0.866 -8.639 -1.474 1.00 0.00 C ATOM 558 O LYS B 37 1.228 -8.891 -0.331 1.00 0.00 O ATOM 559 CB LYS B 37 2.608 -9.002 -3.224 1.00 0.00 C ATOM 560 CG LYS B 37 3.836 -8.431 -3.926 1.00 0.00 C ATOM 561 CD LYS B 37 4.499 -9.451 -4.836 1.00 0.00 C ATOM 562 CE LYS B 37 5.132 -10.585 -4.047 1.00 0.00 C ATOM 563 NZ LYS B 37 5.787 -11.583 -4.935 1.00 0.00 N1+ ATOM 0 H LYS B 37 3.518 -7.616 -1.282 1.00 0.00 H new ATOM 0 HA LYS B 37 1.252 -7.351 -3.138 1.00 0.00 H new ATOM 0 HB2 LYS B 37 2.923 -9.798 -2.549 1.00 0.00 H new ATOM 0 HB3 LYS B 37 1.953 -9.456 -3.968 1.00 0.00 H new ATOM 0 HG2 LYS B 37 3.546 -7.558 -4.511 1.00 0.00 H new ATOM 0 HG3 LYS B 37 4.554 -8.090 -3.180 1.00 0.00 H new ATOM 0 HD2 LYS B 37 3.760 -9.857 -5.526 1.00 0.00 H new ATOM 0 HD3 LYS B 37 5.261 -8.958 -5.439 1.00 0.00 H new ATOM 0 HE2 LYS B 37 5.868 -10.178 -3.354 1.00 0.00 H new ATOM 0 HE3 LYS B 37 4.368 -11.080 -3.447 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 6.206 -12.339 -4.357 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 5.080 -11.991 -5.580 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 6.533 -11.117 -5.490 1.00 0.00 H new ATOM 577 N ALA B 38 -0.334 -8.943 -1.919 1.00 0.00 N ATOM 578 CA ALA B 38 -1.332 -9.487 -1.017 1.00 0.00 C ATOM 579 C ALA B 38 -2.510 -10.095 -1.762 1.00 0.00 C ATOM 580 O ALA B 38 -2.759 -9.769 -2.924 1.00 0.00 O ATOM 581 CB ALA B 38 -1.809 -8.395 -0.076 1.00 0.00 C ATOM 0 H ALA B 38 -0.642 -8.826 -2.884 1.00 0.00 H new ATOM 0 HA ALA B 38 -0.867 -10.292 -0.447 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.559 -8.801 0.603 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -0.965 -8.017 0.501 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -2.246 -7.581 -0.655 1.00 0.00 H new ATOM 587 N THR B 39 -3.226 -10.985 -1.084 1.00 0.00 N ATOM 588 CA THR B 39 -4.451 -11.548 -1.618 1.00 0.00 C ATOM 589 C THR B 39 -5.579 -11.319 -0.630 1.00 0.00 C ATOM 590 O THR B 39 -5.388 -11.497 0.569 1.00 0.00 O ATOM 591 CB THR B 39 -4.306 -13.049 -1.892 1.00 0.00 C ATOM 592 OG1 THR B 39 -3.676 -13.693 -0.777 1.00 0.00 O ATOM 593 CG2 THR B 39 -3.502 -13.301 -3.157 1.00 0.00 C ATOM 0 H THR B 39 -2.973 -11.331 -0.158 1.00 0.00 H new ATOM 0 HA THR B 39 -4.671 -11.053 -2.564 1.00 0.00 H new ATOM 0 HB THR B 39 -5.304 -13.465 -2.034 1.00 0.00 H new ATOM 0 HG1 THR B 39 -3.589 -14.652 -0.960 1.00 0.00 H new ATOM 0 HG21 THR B 39 -3.416 -14.374 -3.326 1.00 0.00 H new ATOM 0 HG22 THR B 39 -4.006 -12.840 -4.006 1.00 0.00 H new ATOM 0 HG23 THR B 39 -2.507 -12.870 -3.048 1.00 0.00 H new ATOM 601 N SER B 40 -6.746 -10.939 -1.121 1.00 0.00 N ATOM 602 CA SER B 40 -7.818 -10.498 -0.245 1.00 0.00 C ATOM 603 C SER B 40 -9.066 -11.358 -0.413 1.00 0.00 C ATOM 604 O SER B 40 -9.275 -11.980 -1.458 1.00 0.00 O ATOM 605 CB SER B 40 -8.128 -9.019 -0.517 1.00 0.00 C ATOM 606 OG SER B 40 -9.019 -8.477 0.446 1.00 0.00 O ATOM 0 H SER B 40 -6.975 -10.927 -2.115 1.00 0.00 H new ATOM 0 HA SER B 40 -7.490 -10.609 0.789 1.00 0.00 H new ATOM 0 HB2 SER B 40 -7.200 -8.448 -0.514 1.00 0.00 H new ATOM 0 HB3 SER B 40 -8.563 -8.916 -1.511 1.00 0.00 H new ATOM 0 HG SER B 40 -8.871 -8.914 1.311 1.00 0.00 H new ATOM 612 N SER B 41 -9.876 -11.405 0.636 1.00 0.00 N ATOM 613 CA SER B 41 -11.106 -12.173 0.631 1.00 0.00 C ATOM 614 C SER B 41 -12.297 -11.276 0.915 1.00 0.00 C ATOM 615 O SER B 41 -12.159 -10.201 1.511 1.00 0.00 O ATOM 616 CB SER B 41 -11.020 -13.292 1.660 1.00 0.00 C ATOM 617 OG SER B 41 -9.828 -14.048 1.496 1.00 0.00 O ATOM 0 H SER B 41 -9.696 -10.912 1.511 1.00 0.00 H new ATOM 0 HA SER B 41 -11.243 -12.613 -0.357 1.00 0.00 H new ATOM 0 HB2 SER B 41 -11.051 -12.870 2.664 1.00 0.00 H new ATOM 0 HB3 SER B 41 -11.886 -13.947 1.563 1.00 0.00 H new ATOM 0 HG SER B 41 -9.796 -14.759 2.170 1.00 0.00 H new ATOM 623 N ASN B 42 -13.469 -11.742 0.510 1.00 0.00 N ATOM 624 CA ASN B 42 -14.684 -10.943 0.553 1.00 0.00 C ATOM 625 C ASN B 42 -15.299 -10.979 1.941 1.00 0.00 C ATOM 626 O ASN B 42 -16.467 -11.324 2.124 1.00 0.00 O ATOM 627 CB ASN B 42 -15.685 -11.428 -0.498 1.00 0.00 C ATOM 628 CG ASN B 42 -15.205 -11.182 -1.919 1.00 0.00 C ATOM 629 OD1 ASN B 42 -15.442 -11.993 -2.813 1.00 0.00 O ATOM 630 ND2 ASN B 42 -14.532 -10.060 -2.145 1.00 0.00 N ATOM 0 H ASN B 42 -13.604 -12.684 0.143 1.00 0.00 H new ATOM 0 HA ASN B 42 -14.424 -9.910 0.323 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -15.865 -12.494 -0.359 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -16.638 -10.921 -0.348 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -14.194 -9.848 -3.084 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -14.353 -9.410 -1.380 1.00 0.00 H new ATOM 637 N ALA B 43 -14.483 -10.629 2.915 1.00 0.00 N ATOM 638 CA ALA B 43 -14.912 -10.546 4.307 1.00 0.00 C ATOM 639 C ALA B 43 -15.642 -9.234 4.604 1.00 0.00 C ATOM 640 O ALA B 43 -15.693 -8.791 5.750 1.00 0.00 O ATOM 641 CB ALA B 43 -13.717 -10.707 5.230 1.00 0.00 C ATOM 0 H ALA B 43 -13.502 -10.393 2.769 1.00 0.00 H new ATOM 0 HA ALA B 43 -15.618 -11.357 4.485 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -14.047 -10.644 6.267 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -13.251 -11.677 5.056 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -12.994 -9.916 5.030 1.00 0.00 H new ATOM 647 N GLY B 44 -16.183 -8.606 3.569 1.00 0.00 N ATOM 648 CA GLY B 44 -16.909 -7.365 3.749 1.00 0.00 C ATOM 649 C GLY B 44 -16.484 -6.310 2.751 1.00 0.00 C ATOM 650 O GLY B 44 -17.322 -5.672 2.131 1.00 0.00 O ATOM 0 H GLY B 44 -16.132 -8.935 2.605 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -17.978 -7.552 3.646 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -16.747 -6.993 4.761 1.00 0.00 H new ATOM 654 N TYR B 45 -15.173 -6.148 2.617 1.00 0.00 N ATOM 655 CA TYR B 45 -14.542 -5.211 1.674 1.00 0.00 C ATOM 656 C TYR B 45 -14.958 -3.745 1.904 1.00 0.00 C ATOM 657 O TYR B 45 -15.713 -3.447 2.825 1.00 0.00 O ATOM 658 CB TYR B 45 -14.739 -5.665 0.213 1.00 0.00 C ATOM 659 CG TYR B 45 -16.055 -5.279 -0.462 1.00 0.00 C ATOM 660 CD1 TYR B 45 -16.320 -3.962 -0.832 1.00 0.00 C ATOM 661 CD2 TYR B 45 -17.023 -6.237 -0.740 1.00 0.00 C ATOM 662 CE1 TYR B 45 -17.506 -3.611 -1.447 1.00 0.00 C ATOM 663 CE2 TYR B 45 -18.212 -5.894 -1.360 1.00 0.00 C ATOM 664 CZ TYR B 45 -18.449 -4.581 -1.709 1.00 0.00 C ATOM 665 OH TYR B 45 -19.632 -4.239 -2.326 1.00 0.00 O ATOM 0 H TYR B 45 -14.497 -6.674 3.171 1.00 0.00 H new ATOM 0 HA TYR B 45 -13.471 -5.237 1.877 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -13.921 -5.258 -0.381 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -14.647 -6.751 0.180 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -15.582 -3.199 -0.634 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -16.844 -7.267 -0.468 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -17.693 -2.583 -1.721 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -18.952 -6.652 -1.570 1.00 0.00 H new ATOM 0 HH TYR B 45 -20.186 -5.040 -2.438 1.00 0.00 H new ATOM 675 N GLY B 46 -14.372 -2.845 1.110 1.00 0.00 N ATOM 676 CA GLY B 46 -14.584 -1.409 1.232 1.00 0.00 C ATOM 677 C GLY B 46 -16.041 -0.985 1.351 1.00 0.00 C ATOM 678 O GLY B 46 -16.712 -0.772 0.339 1.00 0.00 O ATOM 0 H GLY B 46 -13.731 -3.100 0.358 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -14.043 -1.050 2.108 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -14.147 -0.917 0.363 1.00 0.00 H new ATOM 682 N ILE B 47 -16.535 -0.867 2.585 1.00 0.00 N ATOM 683 CA ILE B 47 -17.892 -0.384 2.824 1.00 0.00 C ATOM 684 C ILE B 47 -17.865 0.997 3.448 1.00 0.00 C ATOM 685 O ILE B 47 -18.184 2.002 2.807 1.00 0.00 O ATOM 686 CB ILE B 47 -18.663 -1.295 3.803 1.00 0.00 C ATOM 687 CG1 ILE B 47 -18.541 -2.761 3.409 1.00 0.00 C ATOM 688 CG2 ILE B 47 -20.122 -0.875 3.887 1.00 0.00 C ATOM 689 CD1 ILE B 47 -18.633 -3.003 1.928 1.00 0.00 C ATOM 0 H ILE B 47 -16.015 -1.099 3.431 1.00 0.00 H new ATOM 0 HA ILE B 47 -18.385 -0.373 1.852 1.00 0.00 H new ATOM 0 HB ILE B 47 -18.215 -1.182 4.790 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -17.588 -3.147 3.772 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -19.326 -3.328 3.909 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -20.649 -1.529 4.582 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -20.185 0.155 4.239 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -20.579 -0.950 2.900 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -18.537 -4.070 1.727 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -19.596 -2.649 1.561 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -17.832 -2.465 1.421 1.00 0.00 H new ATOM 701 N SER B 48 -17.465 1.022 4.704 1.00 0.00 N ATOM 702 CA SER B 48 -17.400 2.243 5.472 1.00 0.00 C ATOM 703 C SER B 48 -15.976 2.777 5.459 1.00 0.00 C ATOM 704 O SER B 48 -15.391 2.941 4.387 1.00 0.00 O ATOM 705 CB SER B 48 -17.889 1.974 6.897 1.00 0.00 C ATOM 706 OG SER B 48 -17.282 0.805 7.429 1.00 0.00 O ATOM 0 H SER B 48 -17.175 0.191 5.220 1.00 0.00 H new ATOM 0 HA SER B 48 -18.047 3.001 5.030 1.00 0.00 H new ATOM 0 HB2 SER B 48 -17.659 2.829 7.532 1.00 0.00 H new ATOM 0 HB3 SER B 48 -18.973 1.859 6.898 1.00 0.00 H new ATOM 0 HG SER B 48 -17.608 0.653 8.341 1.00 0.00 H new ATOM 712 N TYR B 49 -15.423 3.036 6.644 1.00 0.00 N ATOM 713 CA TYR B 49 -14.045 3.514 6.767 1.00 0.00 C ATOM 714 C TYR B 49 -13.900 4.880 6.116 1.00 0.00 C ATOM 715 O TYR B 49 -12.793 5.329 5.814 1.00 0.00 O ATOM 716 CB TYR B 49 -13.085 2.501 6.149 1.00 0.00 C ATOM 717 CG TYR B 49 -13.046 1.171 6.885 1.00 0.00 C ATOM 718 CD1 TYR B 49 -14.170 0.351 6.957 1.00 0.00 C ATOM 719 CD2 TYR B 49 -11.886 0.733 7.509 1.00 0.00 C ATOM 720 CE1 TYR B 49 -14.138 -0.854 7.623 1.00 0.00 C ATOM 721 CE2 TYR B 49 -11.847 -0.475 8.178 1.00 0.00 C ATOM 722 CZ TYR B 49 -12.975 -1.264 8.233 1.00 0.00 C ATOM 723 OH TYR B 49 -12.939 -2.473 8.889 1.00 0.00 O ATOM 0 H TYR B 49 -15.909 2.923 7.534 1.00 0.00 H new ATOM 0 HA TYR B 49 -13.795 3.619 7.823 1.00 0.00 H new ATOM 0 HB2 TYR B 49 -13.374 2.325 5.113 1.00 0.00 H new ATOM 0 HB3 TYR B 49 -12.082 2.927 6.132 1.00 0.00 H new ATOM 0 HD1 TYR B 49 -15.086 0.667 6.480 1.00 0.00 H new ATOM 0 HD2 TYR B 49 -10.999 1.347 7.471 1.00 0.00 H new ATOM 0 HE1 TYR B 49 -15.021 -1.474 7.666 1.00 0.00 H new ATOM 0 HE2 TYR B 49 -10.935 -0.800 8.656 1.00 0.00 H new ATOM 0 HH TYR B 49 -12.045 -2.615 9.264 1.00 0.00 H new ATOM 733 N GLU B 50 -15.044 5.544 5.962 1.00 0.00 N ATOM 734 CA GLU B 50 -15.140 6.831 5.290 1.00 0.00 C ATOM 735 C GLU B 50 -14.497 6.765 3.909 1.00 0.00 C ATOM 736 O GLU B 50 -14.328 5.684 3.341 1.00 0.00 O ATOM 737 CB GLU B 50 -14.473 7.888 6.155 1.00 0.00 C ATOM 738 CG GLU B 50 -15.211 8.163 7.454 1.00 0.00 C ATOM 739 CD GLU B 50 -14.470 9.131 8.345 1.00 0.00 C ATOM 740 OE1 GLU B 50 -14.644 10.356 8.173 1.00 0.00 O1- ATOM 741 OE2 GLU B 50 -13.700 8.675 9.216 1.00 0.00 O ATOM 0 H GLU B 50 -15.939 5.196 6.306 1.00 0.00 H new ATOM 0 HA GLU B 50 -16.188 7.094 5.148 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -13.456 7.569 6.385 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -14.396 8.815 5.587 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -16.199 8.564 7.229 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -15.362 7.225 7.988 1.00 0.00 H new ATOM 748 N ASP B 51 -14.168 7.912 3.350 1.00 0.00 N ATOM 749 CA ASP B 51 -13.435 7.929 2.104 1.00 0.00 C ATOM 750 C ASP B 51 -12.016 8.406 2.359 1.00 0.00 C ATOM 751 O ASP B 51 -11.771 9.570 2.675 1.00 0.00 O ATOM 752 CB ASP B 51 -14.136 8.797 1.043 1.00 0.00 C ATOM 753 CG ASP B 51 -14.158 10.280 1.369 1.00 0.00 C ATOM 754 OD1 ASP B 51 -14.821 10.670 2.353 1.00 0.00 O ATOM 755 OD2 ASP B 51 -13.524 11.065 0.626 1.00 0.00 O1- ATOM 0 H ASP B 51 -14.393 8.830 3.733 1.00 0.00 H new ATOM 0 HA ASP B 51 -13.402 6.915 1.705 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -13.636 8.654 0.085 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -15.161 8.447 0.923 1.00 0.00 H new ATOM 760 N LYS B 52 -11.079 7.486 2.256 1.00 0.00 N ATOM 761 CA LYS B 52 -9.683 7.823 2.407 1.00 0.00 C ATOM 762 C LYS B 52 -9.025 7.823 1.044 1.00 0.00 C ATOM 763 O LYS B 52 -9.043 6.818 0.333 1.00 0.00 O ATOM 764 CB LYS B 52 -8.955 6.827 3.303 1.00 0.00 C ATOM 765 CG LYS B 52 -9.709 6.416 4.563 1.00 0.00 C ATOM 766 CD LYS B 52 -9.003 5.249 5.236 1.00 0.00 C ATOM 767 CE LYS B 52 -9.848 4.569 6.306 1.00 0.00 C ATOM 768 NZ LYS B 52 -9.372 3.179 6.542 1.00 0.00 N1+ ATOM 0 H LYS B 52 -11.261 6.500 2.068 1.00 0.00 H new ATOM 0 HA LYS B 52 -9.622 8.808 2.871 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -8.736 5.932 2.721 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -7.998 7.258 3.596 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -9.771 7.259 5.251 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -10.731 6.136 4.309 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -8.728 4.515 4.479 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -8.076 5.605 5.686 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -9.798 5.139 7.234 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -10.893 4.554 5.997 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -9.879 2.771 7.353 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -9.552 2.602 5.696 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -8.352 3.191 6.742 1.00 0.00 H new ATOM 782 N ASN B 53 -8.476 8.952 0.676 1.00 0.00 N ATOM 783 CA ASN B 53 -7.779 9.082 -0.580 1.00 0.00 C ATOM 784 C ASN B 53 -6.328 9.358 -0.308 1.00 0.00 C ATOM 785 O ASN B 53 -5.966 10.403 0.236 1.00 0.00 O ATOM 786 CB ASN B 53 -8.360 10.199 -1.430 1.00 0.00 C ATOM 787 CG ASN B 53 -9.790 9.936 -1.852 1.00 0.00 C ATOM 788 OD1 ASN B 53 -10.038 9.309 -2.881 1.00 0.00 O ATOM 789 ND2 ASN B 53 -10.740 10.411 -1.065 1.00 0.00 N ATOM 0 H ASN B 53 -8.499 9.805 1.235 1.00 0.00 H new ATOM 0 HA ASN B 53 -7.892 8.150 -1.134 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -8.318 11.134 -0.871 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -7.743 10.331 -2.319 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -11.721 10.263 -1.303 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -10.492 10.926 -0.220 1.00 0.00 H new ATOM 796 N TRP B 54 -5.504 8.420 -0.674 1.00 0.00 N ATOM 797 CA TRP B 54 -4.097 8.513 -0.418 1.00 0.00 C ATOM 798 C TRP B 54 -3.338 7.815 -1.530 1.00 0.00 C ATOM 799 O TRP B 54 -3.924 7.070 -2.321 1.00 0.00 O ATOM 800 CB TRP B 54 -3.771 7.918 0.952 1.00 0.00 C ATOM 801 CG TRP B 54 -3.963 6.442 1.044 1.00 0.00 C ATOM 802 CD1 TRP B 54 -5.141 5.766 1.193 1.00 0.00 C ATOM 803 CD2 TRP B 54 -2.930 5.459 1.007 1.00 0.00 C ATOM 804 NE1 TRP B 54 -4.903 4.417 1.241 1.00 0.00 N ATOM 805 CE2 TRP B 54 -3.547 4.202 1.127 1.00 0.00 C ATOM 806 CE3 TRP B 54 -1.538 5.525 0.878 1.00 0.00 C ATOM 807 CZ2 TRP B 54 -2.814 3.020 1.119 1.00 0.00 C ATOM 808 CZ3 TRP B 54 -0.818 4.351 0.872 1.00 0.00 C ATOM 809 CH2 TRP B 54 -1.457 3.111 0.992 1.00 0.00 C ATOM 0 H TRP B 54 -5.789 7.569 -1.159 1.00 0.00 H new ATOM 0 HA TRP B 54 -3.790 9.559 -0.400 1.00 0.00 H new ATOM 0 HB2 TRP B 54 -2.736 8.154 1.200 1.00 0.00 H new ATOM 0 HB3 TRP B 54 -4.397 8.401 1.703 1.00 0.00 H new ATOM 0 HD1 TRP B 54 -6.115 6.226 1.263 1.00 0.00 H new ATOM 0 HE1 TRP B 54 -5.613 3.692 1.344 1.00 0.00 H new ATOM 0 HE3 TRP B 54 -1.038 6.478 0.785 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 -3.302 2.061 1.210 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 0.257 4.387 0.773 1.00 0.00 H new ATOM 0 HH2 TRP B 54 -0.865 2.208 0.984 1.00 0.00 H new ATOM 820 N GLY B 55 -2.053 8.073 -1.604 1.00 0.00 N ATOM 821 CA GLY B 55 -1.261 7.530 -2.672 1.00 0.00 C ATOM 822 C GLY B 55 -0.061 6.787 -2.156 1.00 0.00 C ATOM 823 O GLY B 55 0.422 7.063 -1.057 1.00 0.00 O ATOM 0 H GLY B 55 -1.540 8.653 -0.939 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -1.874 6.858 -3.273 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -0.934 8.337 -3.328 1.00 0.00 H new ATOM 827 N ILE B 56 0.403 5.824 -2.922 1.00 0.00 N ATOM 828 CA ILE B 56 1.670 5.199 -2.636 1.00 0.00 C ATOM 829 C ILE B 56 2.707 5.766 -3.588 1.00 0.00 C ATOM 830 O ILE B 56 2.382 6.115 -4.727 1.00 0.00 O ATOM 831 CB ILE B 56 1.603 3.673 -2.784 1.00 0.00 C ATOM 832 CG1 ILE B 56 0.322 3.138 -2.151 1.00 0.00 C ATOM 833 CG2 ILE B 56 2.820 3.031 -2.129 1.00 0.00 C ATOM 834 CD1 ILE B 56 -0.007 1.727 -2.566 1.00 0.00 C ATOM 0 H ILE B 56 -0.078 5.460 -3.744 1.00 0.00 H new ATOM 0 HA ILE B 56 1.939 5.409 -1.601 1.00 0.00 H new ATOM 0 HB ILE B 56 1.600 3.422 -3.845 1.00 0.00 H new ATOM 0 HG12 ILE B 56 0.418 3.177 -1.066 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -0.508 3.791 -2.421 1.00 0.00 H new ATOM 0 HG21 ILE B 56 2.764 1.948 -2.239 1.00 0.00 H new ATOM 0 HG22 ILE B 56 3.727 3.398 -2.609 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.841 3.287 -1.070 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.929 1.410 -2.079 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -0.135 1.686 -3.648 1.00 0.00 H new ATOM 0 HD13 ILE B 56 0.805 1.062 -2.272 1.00 0.00 H new ATOM 846 N PHE B 57 3.935 5.881 -3.123 1.00 0.00 N ATOM 847 CA PHE B 57 4.967 6.569 -3.887 1.00 0.00 C ATOM 848 C PHE B 57 6.192 5.694 -4.080 1.00 0.00 C ATOM 849 O PHE B 57 6.540 4.926 -3.198 1.00 0.00 O ATOM 850 CB PHE B 57 5.304 7.881 -3.175 1.00 0.00 C ATOM 851 CG PHE B 57 4.065 8.709 -3.013 1.00 0.00 C ATOM 852 CD1 PHE B 57 3.635 9.525 -4.042 1.00 0.00 C ATOM 853 CD2 PHE B 57 3.288 8.609 -1.874 1.00 0.00 C ATOM 854 CE1 PHE B 57 2.456 10.236 -3.934 1.00 0.00 C ATOM 855 CE2 PHE B 57 2.104 9.305 -1.769 1.00 0.00 C ATOM 856 CZ PHE B 57 1.688 10.120 -2.796 1.00 0.00 C ATOM 0 H PHE B 57 4.246 5.510 -2.225 1.00 0.00 H new ATOM 0 HA PHE B 57 4.597 6.791 -4.888 1.00 0.00 H new ATOM 0 HB2 PHE B 57 5.742 7.673 -2.199 1.00 0.00 H new ATOM 0 HB3 PHE B 57 6.049 8.434 -3.747 1.00 0.00 H new ATOM 0 HD1 PHE B 57 4.228 9.608 -4.941 1.00 0.00 H new ATOM 0 HD2 PHE B 57 3.612 7.979 -1.059 1.00 0.00 H new ATOM 0 HE1 PHE B 57 2.137 10.881 -4.739 1.00 0.00 H new ATOM 0 HE2 PHE B 57 1.501 9.211 -0.878 1.00 0.00 H new ATOM 0 HZ PHE B 57 0.761 10.668 -2.711 1.00 0.00 H new ATOM 866 N VAL B 58 6.836 5.794 -5.245 1.00 0.00 N ATOM 867 CA VAL B 58 8.003 4.991 -5.522 1.00 0.00 C ATOM 868 C VAL B 58 9.116 5.879 -6.045 1.00 0.00 C ATOM 869 O VAL B 58 8.879 6.764 -6.867 1.00 0.00 O ATOM 870 CB VAL B 58 7.693 3.861 -6.526 1.00 0.00 C ATOM 871 CG1 VAL B 58 7.379 4.408 -7.913 1.00 0.00 C ATOM 872 CG2 VAL B 58 8.845 2.874 -6.580 1.00 0.00 C ATOM 0 H VAL B 58 6.562 6.423 -6.000 1.00 0.00 H new ATOM 0 HA VAL B 58 8.322 4.518 -4.593 1.00 0.00 H new ATOM 0 HB VAL B 58 6.802 3.339 -6.177 1.00 0.00 H new ATOM 0 HG11 VAL B 58 7.166 3.581 -8.591 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.510 5.064 -7.857 1.00 0.00 H new ATOM 0 HG13 VAL B 58 8.235 4.971 -8.285 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.613 2.082 -7.292 1.00 0.00 H new ATOM 0 HG22 VAL B 58 9.752 3.390 -6.894 1.00 0.00 H new ATOM 0 HG23 VAL B 58 8.999 2.440 -5.592 1.00 0.00 H new ATOM 882 N ASN B 59 10.325 5.666 -5.527 1.00 0.00 N ATOM 883 CA ASN B 59 11.491 6.485 -5.859 1.00 0.00 C ATOM 884 C ASN B 59 11.286 7.901 -5.346 1.00 0.00 C ATOM 885 O ASN B 59 12.111 8.784 -5.571 1.00 0.00 O ATOM 886 CB ASN B 59 11.761 6.525 -7.367 1.00 0.00 C ATOM 887 CG ASN B 59 11.538 5.198 -8.061 1.00 0.00 C ATOM 888 OD1 ASN B 59 12.391 4.314 -8.051 1.00 0.00 O ATOM 889 ND2 ASN B 59 10.389 5.073 -8.700 1.00 0.00 N ATOM 0 H ASN B 59 10.524 4.918 -4.863 1.00 0.00 H new ATOM 0 HA ASN B 59 12.357 6.029 -5.378 1.00 0.00 H new ATOM 0 HB2 ASN B 59 11.116 7.276 -7.823 1.00 0.00 H new ATOM 0 HB3 ASN B 59 12.790 6.844 -7.535 1.00 0.00 H new ATOM 0 HD21 ASN B 59 10.181 4.216 -9.212 1.00 0.00 H new ATOM 0 HD22 ASN B 59 9.710 5.834 -8.681 1.00 0.00 H new ATOM 896 N GLY B 60 10.184 8.103 -4.637 1.00 0.00 N ATOM 897 CA GLY B 60 9.838 9.412 -4.169 1.00 0.00 C ATOM 898 C GLY B 60 8.754 10.052 -5.018 1.00 0.00 C ATOM 899 O GLY B 60 8.326 11.178 -4.766 1.00 0.00 O ATOM 0 H GLY B 60 9.523 7.370 -4.380 1.00 0.00 H new ATOM 0 HA2 GLY B 60 9.499 9.349 -3.135 1.00 0.00 H new ATOM 0 HA3 GLY B 60 10.725 10.046 -4.176 1.00 0.00 H new ATOM 903 N GLU B 61 8.317 9.319 -6.029 1.00 0.00 N ATOM 904 CA GLU B 61 7.295 9.768 -6.957 1.00 0.00 C ATOM 905 C GLU B 61 6.018 9.005 -6.706 1.00 0.00 C ATOM 906 O GLU B 61 6.015 8.108 -5.904 1.00 0.00 O ATOM 907 CB GLU B 61 7.750 9.491 -8.377 1.00 0.00 C ATOM 908 CG GLU B 61 8.539 10.618 -9.012 1.00 0.00 C ATOM 909 CD GLU B 61 9.011 10.265 -10.404 1.00 0.00 C ATOM 910 OE1 GLU B 61 8.272 10.526 -11.375 1.00 0.00 O ATOM 911 OE2 GLU B 61 10.116 9.707 -10.537 1.00 0.00 O1- ATOM 0 H GLU B 61 8.668 8.383 -6.230 1.00 0.00 H new ATOM 0 HA GLU B 61 7.126 10.836 -6.817 1.00 0.00 H new ATOM 0 HB2 GLU B 61 8.362 8.589 -8.380 1.00 0.00 H new ATOM 0 HB3 GLU B 61 6.874 9.285 -8.993 1.00 0.00 H new ATOM 0 HG2 GLU B 61 7.920 11.514 -9.056 1.00 0.00 H new ATOM 0 HG3 GLU B 61 9.400 10.855 -8.387 1.00 0.00 H new ATOM 918 N LYS B 62 4.949 9.331 -7.402 1.00 0.00 N ATOM 919 CA LYS B 62 3.729 8.537 -7.314 1.00 0.00 C ATOM 920 C LYS B 62 4.002 7.118 -7.814 1.00 0.00 C ATOM 921 O LYS B 62 5.028 6.858 -8.446 1.00 0.00 O ATOM 922 CB LYS B 62 2.620 9.194 -8.148 1.00 0.00 C ATOM 923 CG LYS B 62 1.259 8.528 -8.010 1.00 0.00 C ATOM 924 CD LYS B 62 0.535 8.991 -6.758 1.00 0.00 C ATOM 925 CE LYS B 62 0.039 10.420 -6.906 1.00 0.00 C ATOM 926 NZ LYS B 62 -1.052 10.527 -7.913 1.00 0.00 N1+ ATOM 0 H LYS B 62 4.894 10.132 -8.031 1.00 0.00 H new ATOM 0 HA LYS B 62 3.402 8.487 -6.275 1.00 0.00 H new ATOM 0 HB2 LYS B 62 2.532 10.240 -7.855 1.00 0.00 H new ATOM 0 HB3 LYS B 62 2.914 9.181 -9.198 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.652 8.754 -8.887 1.00 0.00 H new ATOM 0 HG3 LYS B 62 1.384 7.446 -7.979 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.308 8.330 -6.557 1.00 0.00 H new ATOM 0 HD3 LYS B 62 1.205 8.923 -5.901 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -0.320 10.781 -5.942 1.00 0.00 H new ATOM 0 HE3 LYS B 62 0.868 11.064 -7.199 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 -1.488 11.469 -7.853 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -0.660 10.387 -8.866 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -1.771 9.800 -7.724 1.00 0.00 H new ATOM 940 N VAL B 63 3.136 6.192 -7.450 1.00 0.00 N ATOM 941 CA VAL B 63 3.117 4.884 -8.079 1.00 0.00 C ATOM 942 C VAL B 63 1.688 4.364 -8.136 1.00 0.00 C ATOM 943 O VAL B 63 1.354 3.527 -8.978 1.00 0.00 O ATOM 944 CB VAL B 63 4.028 3.859 -7.355 1.00 0.00 C ATOM 945 CG1 VAL B 63 3.456 3.447 -6.007 1.00 0.00 C ATOM 946 CG2 VAL B 63 4.264 2.638 -8.233 1.00 0.00 C ATOM 0 H VAL B 63 2.435 6.321 -6.721 1.00 0.00 H new ATOM 0 HA VAL B 63 3.513 5.003 -9.088 1.00 0.00 H new ATOM 0 HB VAL B 63 4.985 4.347 -7.169 1.00 0.00 H new ATOM 0 HG11 VAL B 63 4.124 2.728 -5.533 1.00 0.00 H new ATOM 0 HG12 VAL B 63 3.357 4.326 -5.370 1.00 0.00 H new ATOM 0 HG13 VAL B 63 2.476 2.991 -6.151 1.00 0.00 H new ATOM 0 HG21 VAL B 63 4.905 1.930 -7.708 1.00 0.00 H new ATOM 0 HG22 VAL B 63 3.310 2.163 -8.460 1.00 0.00 H new ATOM 0 HG23 VAL B 63 4.746 2.945 -9.161 1.00 0.00 H new ATOM 956 N TYR B 64 0.829 4.891 -7.264 1.00 0.00 N ATOM 957 CA TYR B 64 -0.533 4.389 -7.175 1.00 0.00 C ATOM 958 C TYR B 64 -1.450 5.382 -6.460 1.00 0.00 C ATOM 959 O TYR B 64 -1.040 6.044 -5.506 1.00 0.00 O ATOM 960 CB TYR B 64 -0.522 3.046 -6.441 1.00 0.00 C ATOM 961 CG TYR B 64 -1.714 2.147 -6.703 1.00 0.00 C ATOM 962 CD1 TYR B 64 -2.631 2.411 -7.720 1.00 0.00 C ATOM 963 CD2 TYR B 64 -1.910 1.013 -5.934 1.00 0.00 C ATOM 964 CE1 TYR B 64 -3.699 1.575 -7.947 1.00 0.00 C ATOM 965 CE2 TYR B 64 -2.974 0.171 -6.163 1.00 0.00 C ATOM 966 CZ TYR B 64 -3.867 0.456 -7.172 1.00 0.00 C ATOM 967 OH TYR B 64 -4.928 -0.383 -7.410 1.00 0.00 O ATOM 0 H TYR B 64 1.050 5.652 -6.622 1.00 0.00 H new ATOM 0 HA TYR B 64 -0.925 4.256 -8.183 1.00 0.00 H new ATOM 0 HB2 TYR B 64 0.384 2.508 -6.719 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -0.463 3.238 -5.370 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -2.500 3.286 -8.339 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -1.215 0.785 -5.139 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -4.404 1.799 -8.734 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -3.108 -0.710 -5.554 1.00 0.00 H new ATOM 0 HH TYR B 64 -5.162 -0.353 -8.361 1.00 0.00 H new ATOM 977 N THR B 65 -2.683 5.474 -6.942 1.00 0.00 N ATOM 978 CA THR B 65 -3.695 6.357 -6.377 1.00 0.00 C ATOM 979 C THR B 65 -5.033 5.614 -6.274 1.00 0.00 C ATOM 980 O THR B 65 -5.490 5.031 -7.260 1.00 0.00 O ATOM 981 CB THR B 65 -3.871 7.596 -7.278 1.00 0.00 C ATOM 982 OG1 THR B 65 -2.596 8.208 -7.525 1.00 0.00 O ATOM 983 CG2 THR B 65 -4.809 8.609 -6.649 1.00 0.00 C ATOM 0 H THR B 65 -3.011 4.934 -7.742 1.00 0.00 H new ATOM 0 HA THR B 65 -3.375 6.672 -5.384 1.00 0.00 H new ATOM 0 HB THR B 65 -4.308 7.265 -8.220 1.00 0.00 H new ATOM 0 HG1 THR B 65 -2.485 8.356 -8.487 1.00 0.00 H new ATOM 0 HG21 THR B 65 -4.911 9.470 -7.310 1.00 0.00 H new ATOM 0 HG22 THR B 65 -5.787 8.153 -6.494 1.00 0.00 H new ATOM 0 HG23 THR B 65 -4.404 8.933 -5.690 1.00 0.00 H new ATOM 991 N PHE B 66 -5.658 5.602 -5.091 1.00 0.00 N ATOM 992 CA PHE B 66 -6.897 4.878 -4.909 1.00 0.00 C ATOM 993 C PHE B 66 -7.622 5.340 -3.644 1.00 0.00 C ATOM 994 O PHE B 66 -7.286 6.372 -3.059 1.00 0.00 O ATOM 995 CB PHE B 66 -6.616 3.372 -4.867 1.00 0.00 C ATOM 996 CG PHE B 66 -5.614 2.943 -3.845 1.00 0.00 C ATOM 997 CD1 PHE B 66 -4.254 3.106 -4.049 1.00 0.00 C ATOM 998 CD2 PHE B 66 -6.050 2.346 -2.688 1.00 0.00 C ATOM 999 CE1 PHE B 66 -3.347 2.673 -3.102 1.00 0.00 C ATOM 1000 CE2 PHE B 66 -5.153 1.913 -1.733 1.00 0.00 C ATOM 1001 CZ PHE B 66 -3.797 2.076 -1.941 1.00 0.00 C ATOM 0 H PHE B 66 -5.320 6.085 -4.258 1.00 0.00 H new ATOM 0 HA PHE B 66 -7.553 5.087 -5.754 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -7.553 2.848 -4.677 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -6.268 3.055 -5.850 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -3.900 3.575 -4.955 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -7.109 2.214 -2.523 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -2.288 2.801 -3.269 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -5.510 1.448 -0.826 1.00 0.00 H new ATOM 0 HZ PHE B 66 -3.091 1.737 -1.197 1.00 0.00 H new ATOM 1011 N ASN B 67 -8.613 4.563 -3.250 1.00 0.00 N ATOM 1012 CA ASN B 67 -9.519 4.906 -2.153 1.00 0.00 C ATOM 1013 C ASN B 67 -10.090 3.625 -1.530 1.00 0.00 C ATOM 1014 O ASN B 67 -10.088 2.583 -2.179 1.00 0.00 O ATOM 1015 CB ASN B 67 -10.647 5.806 -2.692 1.00 0.00 C ATOM 1016 CG ASN B 67 -11.739 6.113 -1.680 1.00 0.00 C ATOM 1017 OD1 ASN B 67 -12.728 5.388 -1.576 1.00 0.00 O ATOM 1018 ND2 ASN B 67 -11.582 7.200 -0.947 1.00 0.00 N ATOM 0 H ASN B 67 -8.820 3.663 -3.684 1.00 0.00 H new ATOM 0 HA ASN B 67 -8.977 5.448 -1.378 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -10.214 6.745 -3.037 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -11.097 5.324 -3.560 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -12.294 7.463 -0.266 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -10.748 7.776 -1.062 1.00 0.00 H new ATOM 1025 N GLU B 68 -10.565 3.692 -0.291 1.00 0.00 N ATOM 1026 CA GLU B 68 -11.097 2.508 0.397 1.00 0.00 C ATOM 1027 C GLU B 68 -12.292 1.913 -0.363 1.00 0.00 C ATOM 1028 O GLU B 68 -12.290 0.740 -0.747 1.00 0.00 O ATOM 1029 CB GLU B 68 -11.538 2.881 1.813 1.00 0.00 C ATOM 1030 CG GLU B 68 -10.509 3.682 2.593 1.00 0.00 C ATOM 1031 CD GLU B 68 -9.240 2.909 2.902 1.00 0.00 C ATOM 1032 OE1 GLU B 68 -9.217 2.197 3.935 1.00 0.00 O1- ATOM 1033 OE2 GLU B 68 -8.256 3.043 2.137 1.00 0.00 O ATOM 0 H GLU B 68 -10.595 4.549 0.261 1.00 0.00 H new ATOM 0 HA GLU B 68 -10.304 1.762 0.439 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -12.462 3.456 1.754 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -11.765 1.968 2.363 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -10.250 4.575 2.025 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -10.956 4.018 3.529 1.00 0.00 H new ATOM 1040 N LYS B 69 -13.300 2.752 -0.578 1.00 0.00 N ATOM 1041 CA LYS B 69 -14.534 2.379 -1.280 1.00 0.00 C ATOM 1042 C LYS B 69 -14.271 2.049 -2.745 1.00 0.00 C ATOM 1043 O LYS B 69 -15.132 1.506 -3.438 1.00 0.00 O ATOM 1044 CB LYS B 69 -15.533 3.521 -1.202 1.00 0.00 C ATOM 1045 CG LYS B 69 -16.920 3.152 -1.716 1.00 0.00 C ATOM 1046 CD LYS B 69 -17.962 4.198 -1.348 1.00 0.00 C ATOM 1047 CE LYS B 69 -17.643 5.555 -1.957 1.00 0.00 C ATOM 1048 NZ LYS B 69 -18.678 6.568 -1.625 1.00 0.00 N1+ ATOM 0 H LYS B 69 -13.288 3.724 -0.268 1.00 0.00 H new ATOM 0 HA LYS B 69 -14.935 1.490 -0.794 1.00 0.00 H new ATOM 0 HB2 LYS B 69 -15.614 3.852 -0.167 1.00 0.00 H new ATOM 0 HB3 LYS B 69 -15.154 4.365 -1.778 1.00 0.00 H new ATOM 0 HG2 LYS B 69 -16.887 3.039 -2.800 1.00 0.00 H new ATOM 0 HG3 LYS B 69 -17.214 2.187 -1.304 1.00 0.00 H new ATOM 0 HD2 LYS B 69 -18.943 3.869 -1.689 1.00 0.00 H new ATOM 0 HD3 LYS B 69 -18.016 4.291 -0.263 1.00 0.00 H new ATOM 0 HE2 LYS B 69 -16.673 5.896 -1.596 1.00 0.00 H new ATOM 0 HE3 LYS B 69 -17.564 5.458 -3.040 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 -18.424 7.479 -2.058 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 -19.600 6.255 -1.991 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 -18.736 6.680 -0.593 1.00 0.00 H new ATOM 1062 N SER B 70 -13.074 2.372 -3.208 1.00 0.00 N ATOM 1063 CA SER B 70 -12.596 1.939 -4.517 1.00 0.00 C ATOM 1064 C SER B 70 -12.404 0.423 -4.508 1.00 0.00 C ATOM 1065 O SER B 70 -11.959 -0.189 -5.481 1.00 0.00 O ATOM 1066 CB SER B 70 -11.279 2.651 -4.808 1.00 0.00 C ATOM 1067 OG SER B 70 -10.548 2.052 -5.862 1.00 0.00 O ATOM 0 H SER B 70 -12.405 2.941 -2.690 1.00 0.00 H new ATOM 0 HA SER B 70 -13.318 2.188 -5.294 1.00 0.00 H new ATOM 0 HB2 SER B 70 -11.483 3.692 -5.060 1.00 0.00 H new ATOM 0 HB3 SER B 70 -10.668 2.655 -3.906 1.00 0.00 H new ATOM 0 HG SER B 70 -10.785 1.103 -5.927 1.00 0.00 H new ATOM 1073 N THR B 71 -12.753 -0.137 -3.358 1.00 0.00 N ATOM 1074 CA THR B 71 -12.688 -1.533 -3.053 1.00 0.00 C ATOM 1075 C THR B 71 -11.268 -2.039 -3.180 1.00 0.00 C ATOM 1076 O THR B 71 -10.871 -2.647 -4.174 1.00 0.00 O ATOM 1077 CB THR B 71 -13.700 -2.368 -3.854 1.00 0.00 C ATOM 1078 OG1 THR B 71 -13.377 -2.405 -5.252 1.00 0.00 O ATOM 1079 CG2 THR B 71 -15.108 -1.813 -3.681 1.00 0.00 C ATOM 0 H THR B 71 -13.108 0.415 -2.577 1.00 0.00 H new ATOM 0 HA THR B 71 -12.987 -1.658 -2.012 1.00 0.00 H new ATOM 0 HB THR B 71 -13.653 -3.384 -3.463 1.00 0.00 H new ATOM 0 HG1 THR B 71 -12.565 -1.880 -5.414 1.00 0.00 H new ATOM 0 HG21 THR B 71 -15.810 -2.417 -4.255 1.00 0.00 H new ATOM 0 HG22 THR B 71 -15.383 -1.841 -2.627 1.00 0.00 H new ATOM 0 HG23 THR B 71 -15.139 -0.783 -4.037 1.00 0.00 H new ATOM 1087 N VAL B 72 -10.504 -1.772 -2.130 1.00 0.00 N ATOM 1088 CA VAL B 72 -9.072 -1.987 -2.145 1.00 0.00 C ATOM 1089 C VAL B 72 -8.698 -3.462 -2.203 1.00 0.00 C ATOM 1090 O VAL B 72 -7.517 -3.799 -2.271 1.00 0.00 O ATOM 1091 CB VAL B 72 -8.386 -1.377 -0.916 1.00 0.00 C ATOM 1092 CG1 VAL B 72 -8.709 0.099 -0.784 1.00 0.00 C ATOM 1093 CG2 VAL B 72 -8.793 -2.141 0.322 1.00 0.00 C ATOM 0 H VAL B 72 -10.862 -1.402 -1.249 1.00 0.00 H new ATOM 0 HA VAL B 72 -8.725 -1.492 -3.052 1.00 0.00 H new ATOM 0 HB VAL B 72 -7.306 -1.458 -1.038 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -8.209 0.504 0.096 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -8.364 0.628 -1.673 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -9.786 0.228 -0.680 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -8.305 -1.707 1.194 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -9.875 -2.084 0.445 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -8.494 -3.184 0.221 1.00 0.00 H new ATOM 1103 N GLY B 73 -9.685 -4.342 -2.136 1.00 0.00 N ATOM 1104 CA GLY B 73 -9.405 -5.748 -2.302 1.00 0.00 C ATOM 1105 C GLY B 73 -8.849 -6.010 -3.683 1.00 0.00 C ATOM 1106 O GLY B 73 -7.930 -6.810 -3.858 1.00 0.00 O ATOM 0 H GLY B 73 -10.664 -4.109 -1.971 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -8.691 -6.076 -1.546 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -10.316 -6.328 -2.153 1.00 0.00 H new ATOM 1110 N ASN B 74 -9.382 -5.280 -4.656 1.00 0.00 N ATOM 1111 CA ASN B 74 -8.899 -5.356 -6.027 1.00 0.00 C ATOM 1112 C ASN B 74 -7.643 -4.511 -6.157 1.00 0.00 C ATOM 1113 O ASN B 74 -6.717 -4.860 -6.881 1.00 0.00 O ATOM 1114 CB ASN B 74 -9.951 -4.847 -7.014 1.00 0.00 C ATOM 1115 CG ASN B 74 -11.297 -5.494 -6.850 1.00 0.00 C ATOM 1116 OD1 ASN B 74 -11.418 -6.658 -6.465 1.00 0.00 O ATOM 1117 ND2 ASN B 74 -12.325 -4.719 -7.124 1.00 0.00 N ATOM 0 H ASN B 74 -10.153 -4.626 -4.518 1.00 0.00 H new ATOM 0 HA ASN B 74 -8.685 -6.399 -6.261 1.00 0.00 H new ATOM 0 HB2 ASN B 74 -10.059 -3.769 -6.893 1.00 0.00 H new ATOM 0 HB3 ASN B 74 -9.596 -5.019 -8.030 1.00 0.00 H new ATOM 0 HD21 ASN B 74 -13.275 -5.076 -7.020 1.00 0.00 H new ATOM 0 HD22 ASN B 74 -12.172 -3.761 -7.440 1.00 0.00 H new ATOM 1124 N ILE B 75 -7.635 -3.391 -5.438 1.00 0.00 N ATOM 1125 CA ILE B 75 -6.489 -2.495 -5.382 1.00 0.00 C ATOM 1126 C ILE B 75 -5.213 -3.245 -5.033 1.00 0.00 C ATOM 1127 O ILE B 75 -4.215 -3.153 -5.740 1.00 0.00 O ATOM 1128 CB ILE B 75 -6.724 -1.410 -4.333 1.00 0.00 C ATOM 1129 CG1 ILE B 75 -7.951 -0.584 -4.726 1.00 0.00 C ATOM 1130 CG2 ILE B 75 -5.492 -0.538 -4.161 1.00 0.00 C ATOM 1131 CD1 ILE B 75 -7.730 0.311 -5.907 1.00 0.00 C ATOM 0 H ILE B 75 -8.428 -3.081 -4.876 1.00 0.00 H new ATOM 0 HA ILE B 75 -6.374 -2.047 -6.369 1.00 0.00 H new ATOM 0 HB ILE B 75 -6.914 -1.879 -3.368 1.00 0.00 H new ATOM 0 HG12 ILE B 75 -8.777 -1.261 -4.945 1.00 0.00 H new ATOM 0 HG13 ILE B 75 -8.255 0.024 -3.874 1.00 0.00 H new ATOM 0 HG21 ILE B 75 -5.689 0.225 -3.408 1.00 0.00 H new ATOM 0 HG22 ILE B 75 -4.652 -1.154 -3.842 1.00 0.00 H new ATOM 0 HG23 ILE B 75 -5.250 -0.058 -5.110 1.00 0.00 H new ATOM 0 HD11 ILE B 75 -8.645 0.862 -6.122 1.00 0.00 H new ATOM 0 HD12 ILE B 75 -6.927 1.014 -5.686 1.00 0.00 H new ATOM 0 HD13 ILE B 75 -7.457 -0.291 -6.774 1.00 0.00 H new ATOM 1143 N SER B 76 -5.262 -3.969 -3.924 1.00 0.00 N ATOM 1144 CA SER B 76 -4.136 -4.789 -3.482 1.00 0.00 C ATOM 1145 C SER B 76 -3.709 -5.772 -4.572 1.00 0.00 C ATOM 1146 O SER B 76 -2.521 -6.021 -4.760 1.00 0.00 O ATOM 1147 CB SER B 76 -4.498 -5.544 -2.201 1.00 0.00 C ATOM 1148 OG SER B 76 -4.813 -4.641 -1.151 1.00 0.00 O ATOM 0 H SER B 76 -6.074 -4.007 -3.308 1.00 0.00 H new ATOM 0 HA SER B 76 -3.296 -4.125 -3.276 1.00 0.00 H new ATOM 0 HB2 SER B 76 -5.348 -6.200 -2.389 1.00 0.00 H new ATOM 0 HB3 SER B 76 -3.665 -6.180 -1.901 1.00 0.00 H new ATOM 0 HG SER B 76 -4.196 -4.781 -0.403 1.00 0.00 H new ATOM 1154 N ASN B 77 -4.684 -6.308 -5.295 1.00 0.00 N ATOM 1155 CA ASN B 77 -4.415 -7.212 -6.398 1.00 0.00 C ATOM 1156 C ASN B 77 -3.668 -6.499 -7.521 1.00 0.00 C ATOM 1157 O ASN B 77 -2.779 -7.066 -8.156 1.00 0.00 O ATOM 1158 CB ASN B 77 -5.726 -7.774 -6.927 1.00 0.00 C ATOM 1159 CG ASN B 77 -6.193 -9.004 -6.173 1.00 0.00 C ATOM 1160 OD1 ASN B 77 -5.388 -9.753 -5.617 1.00 0.00 O ATOM 1161 ND2 ASN B 77 -7.498 -9.229 -6.158 1.00 0.00 N ATOM 0 H ASN B 77 -5.675 -6.128 -5.133 1.00 0.00 H new ATOM 0 HA ASN B 77 -3.787 -8.024 -6.033 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -6.495 -7.004 -6.866 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -5.608 -8.024 -7.981 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -7.869 -10.047 -5.674 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -8.132 -8.585 -6.631 1.00 0.00 H new ATOM 1168 N ASP B 78 -4.048 -5.253 -7.760 1.00 0.00 N ATOM 1169 CA ASP B 78 -3.377 -4.409 -8.746 1.00 0.00 C ATOM 1170 C ASP B 78 -1.948 -4.108 -8.320 1.00 0.00 C ATOM 1171 O ASP B 78 -1.038 -4.110 -9.138 1.00 0.00 O ATOM 1172 CB ASP B 78 -4.135 -3.092 -8.941 1.00 0.00 C ATOM 1173 CG ASP B 78 -5.363 -3.230 -9.819 1.00 0.00 C ATOM 1174 OD1 ASP B 78 -5.222 -3.206 -11.061 1.00 0.00 O1- ATOM 1175 OD2 ASP B 78 -6.480 -3.344 -9.280 1.00 0.00 O ATOM 0 H ASP B 78 -4.825 -4.798 -7.281 1.00 0.00 H new ATOM 0 HA ASP B 78 -3.360 -4.956 -9.689 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -4.435 -2.706 -7.967 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -3.463 -2.356 -9.382 1.00 0.00 H new ATOM 1180 N ILE B 79 -1.752 -3.850 -7.037 1.00 0.00 N ATOM 1181 CA ILE B 79 -0.422 -3.574 -6.505 1.00 0.00 C ATOM 1182 C ILE B 79 0.530 -4.733 -6.792 1.00 0.00 C ATOM 1183 O ILE B 79 1.729 -4.536 -7.001 1.00 0.00 O ATOM 1184 CB ILE B 79 -0.504 -3.306 -4.994 1.00 0.00 C ATOM 1185 CG1 ILE B 79 -1.435 -2.136 -4.765 1.00 0.00 C ATOM 1186 CG2 ILE B 79 0.873 -3.038 -4.398 1.00 0.00 C ATOM 1187 CD1 ILE B 79 -1.635 -1.775 -3.314 1.00 0.00 C ATOM 0 H ILE B 79 -2.497 -3.825 -6.341 1.00 0.00 H new ATOM 0 HA ILE B 79 -0.030 -2.685 -7.000 1.00 0.00 H new ATOM 0 HB ILE B 79 -0.894 -4.191 -4.491 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -1.043 -1.266 -5.293 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -2.404 -2.367 -5.207 1.00 0.00 H new ATOM 0 HG21 ILE B 79 0.777 -2.853 -3.328 1.00 0.00 H new ATOM 0 HG22 ILE B 79 1.514 -3.904 -4.560 1.00 0.00 H new ATOM 0 HG23 ILE B 79 1.314 -2.165 -4.879 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -2.316 -0.927 -3.241 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -2.058 -2.627 -2.782 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -0.676 -1.510 -2.869 1.00 0.00 H new ATOM 1199 N ASN B 80 -0.031 -5.933 -6.844 1.00 0.00 N ATOM 1200 CA ASN B 80 0.729 -7.136 -7.177 1.00 0.00 C ATOM 1201 C ASN B 80 1.316 -7.055 -8.590 1.00 0.00 C ATOM 1202 O ASN B 80 2.294 -7.739 -8.901 1.00 0.00 O ATOM 1203 CB ASN B 80 -0.160 -8.385 -7.083 1.00 0.00 C ATOM 1204 CG ASN B 80 -0.728 -8.625 -5.696 1.00 0.00 C ATOM 1205 OD1 ASN B 80 -0.110 -8.301 -4.690 1.00 0.00 O ATOM 1206 ND2 ASN B 80 -1.917 -9.206 -5.641 1.00 0.00 N ATOM 0 H ASN B 80 -1.019 -6.103 -6.658 1.00 0.00 H new ATOM 0 HA ASN B 80 1.544 -7.208 -6.456 1.00 0.00 H new ATOM 0 HB2 ASN B 80 -0.983 -8.289 -7.792 1.00 0.00 H new ATOM 0 HB3 ASN B 80 0.420 -9.257 -7.385 1.00 0.00 H new ATOM 0 HD21 ASN B 80 -2.349 -9.398 -4.737 1.00 0.00 H new ATOM 0 HD22 ASN B 80 -2.400 -9.461 -6.502 1.00 0.00 H new ATOM 1213 N LYS B 81 0.723 -6.220 -9.446 1.00 0.00 N ATOM 1214 CA LYS B 81 1.138 -6.144 -10.844 1.00 0.00 C ATOM 1215 C LYS B 81 1.945 -4.873 -11.128 1.00 0.00 C ATOM 1216 O LYS B 81 2.577 -4.760 -12.175 1.00 0.00 O ATOM 1217 CB LYS B 81 -0.083 -6.211 -11.778 1.00 0.00 C ATOM 1218 CG LYS B 81 -0.862 -4.912 -11.889 1.00 0.00 C ATOM 1219 CD LYS B 81 -2.064 -5.050 -12.810 1.00 0.00 C ATOM 1220 CE LYS B 81 -1.653 -5.156 -14.272 1.00 0.00 C ATOM 1221 NZ LYS B 81 -1.038 -3.896 -14.770 1.00 0.00 N1+ ATOM 0 H LYS B 81 -0.041 -5.592 -9.196 1.00 0.00 H new ATOM 0 HA LYS B 81 1.782 -7.002 -11.037 1.00 0.00 H new ATOM 0 HB2 LYS B 81 0.252 -6.505 -12.773 1.00 0.00 H new ATOM 0 HB3 LYS B 81 -0.754 -6.993 -11.423 1.00 0.00 H new ATOM 0 HG2 LYS B 81 -1.197 -4.603 -10.899 1.00 0.00 H new ATOM 0 HG3 LYS B 81 -0.206 -4.126 -12.263 1.00 0.00 H new ATOM 0 HD2 LYS B 81 -2.636 -5.934 -12.529 1.00 0.00 H new ATOM 0 HD3 LYS B 81 -2.721 -4.190 -12.680 1.00 0.00 H new ATOM 0 HE2 LYS B 81 -0.946 -5.977 -14.391 1.00 0.00 H new ATOM 0 HE3 LYS B 81 -2.526 -5.397 -14.878 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 -1.006 -3.913 -15.809 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 -1.606 -3.084 -14.454 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 -0.072 -3.809 -14.395 1.00 0.00 H new ATOM 1235 N LEU B 82 1.956 -3.934 -10.184 1.00 0.00 N ATOM 1236 CA LEU B 82 2.606 -2.643 -10.395 1.00 0.00 C ATOM 1237 C LEU B 82 4.100 -2.815 -10.581 1.00 0.00 C ATOM 1238 O LEU B 82 4.757 -1.986 -11.215 1.00 0.00 O ATOM 1239 CB LEU B 82 2.361 -1.737 -9.191 1.00 0.00 C ATOM 1240 CG LEU B 82 1.309 -0.646 -9.375 1.00 0.00 C ATOM 1241 CD1 LEU B 82 1.750 0.356 -10.428 1.00 0.00 C ATOM 1242 CD2 LEU B 82 -0.043 -1.239 -9.740 1.00 0.00 C ATOM 0 H LEU B 82 1.523 -4.043 -9.267 1.00 0.00 H new ATOM 0 HA LEU B 82 2.184 -2.195 -11.294 1.00 0.00 H new ATOM 0 HB2 LEU B 82 2.065 -2.360 -8.347 1.00 0.00 H new ATOM 0 HB3 LEU B 82 3.304 -1.262 -8.921 1.00 0.00 H new ATOM 0 HG LEU B 82 1.203 -0.125 -8.423 1.00 0.00 H new ATOM 0 HD11 LEU B 82 0.985 1.124 -10.542 1.00 0.00 H new ATOM 0 HD12 LEU B 82 2.687 0.820 -10.119 1.00 0.00 H new ATOM 0 HD13 LEU B 82 1.895 -0.156 -11.379 1.00 0.00 H new ATOM 0 HD21 LEU B 82 -0.771 -0.437 -9.864 1.00 0.00 H new ATOM 0 HD22 LEU B 82 0.044 -1.797 -10.672 1.00 0.00 H new ATOM 0 HD23 LEU B 82 -0.373 -1.908 -8.946 1.00 0.00 H new ATOM 1254 N ASN B 83 4.606 -3.917 -10.053 1.00 0.00 N ATOM 1255 CA ASN B 83 6.036 -4.156 -9.950 1.00 0.00 C ATOM 1256 C ASN B 83 6.739 -2.908 -9.417 1.00 0.00 C ATOM 1257 O ASN B 83 7.539 -2.273 -10.105 1.00 0.00 O ATOM 1258 CB ASN B 83 6.624 -4.590 -11.296 1.00 0.00 C ATOM 1259 CG ASN B 83 8.084 -5.008 -11.195 1.00 0.00 C ATOM 1260 OD1 ASN B 83 8.994 -4.197 -11.369 1.00 0.00 O ATOM 1261 ND2 ASN B 83 8.321 -6.281 -10.920 1.00 0.00 N ATOM 0 H ASN B 83 4.033 -4.675 -9.682 1.00 0.00 H new ATOM 0 HA ASN B 83 6.200 -4.972 -9.247 1.00 0.00 H new ATOM 0 HB2 ASN B 83 6.040 -5.421 -11.692 1.00 0.00 H new ATOM 0 HB3 ASN B 83 6.534 -3.770 -12.008 1.00 0.00 H new ATOM 0 HD21 ASN B 83 9.281 -6.617 -10.846 1.00 0.00 H new ATOM 0 HD22 ASN B 83 7.543 -6.926 -10.782 1.00 0.00 H new ATOM 1268 N ILE B 84 6.388 -2.538 -8.195 1.00 0.00 N ATOM 1269 CA ILE B 84 6.953 -1.368 -7.551 1.00 0.00 C ATOM 1270 C ILE B 84 8.450 -1.540 -7.314 1.00 0.00 C ATOM 1271 O ILE B 84 8.925 -2.637 -7.017 1.00 0.00 O ATOM 1272 CB ILE B 84 6.225 -1.110 -6.222 1.00 0.00 C ATOM 1273 CG1 ILE B 84 4.756 -0.882 -6.523 1.00 0.00 C ATOM 1274 CG2 ILE B 84 6.811 0.088 -5.485 1.00 0.00 C ATOM 1275 CD1 ILE B 84 3.863 -0.969 -5.313 1.00 0.00 C ATOM 0 H ILE B 84 5.706 -3.040 -7.626 1.00 0.00 H new ATOM 0 HA ILE B 84 6.818 -0.509 -8.209 1.00 0.00 H new ATOM 0 HB ILE B 84 6.349 -1.975 -5.570 1.00 0.00 H new ATOM 0 HG12 ILE B 84 4.637 0.101 -6.980 1.00 0.00 H new ATOM 0 HG13 ILE B 84 4.428 -1.617 -7.258 1.00 0.00 H new ATOM 0 HG21 ILE B 84 6.271 0.240 -4.550 1.00 0.00 H new ATOM 0 HG22 ILE B 84 7.864 -0.096 -5.270 1.00 0.00 H new ATOM 0 HG23 ILE B 84 6.718 0.979 -6.106 1.00 0.00 H new ATOM 0 HD11 ILE B 84 2.829 -0.795 -5.611 1.00 0.00 H new ATOM 0 HD12 ILE B 84 3.950 -1.960 -4.867 1.00 0.00 H new ATOM 0 HD13 ILE B 84 4.163 -0.216 -4.585 1.00 0.00 H new ATOM 1287 N LYS B 85 9.182 -0.456 -7.478 1.00 0.00 N ATOM 1288 CA LYS B 85 10.625 -0.460 -7.253 1.00 0.00 C ATOM 1289 C LYS B 85 10.919 -0.192 -5.784 1.00 0.00 C ATOM 1290 O LYS B 85 9.999 0.039 -5.004 1.00 0.00 O ATOM 1291 CB LYS B 85 11.314 0.587 -8.130 1.00 0.00 C ATOM 1292 CG LYS B 85 11.121 0.354 -9.618 1.00 0.00 C ATOM 1293 CD LYS B 85 11.952 1.319 -10.445 1.00 0.00 C ATOM 1294 CE LYS B 85 11.827 1.034 -11.935 1.00 0.00 C ATOM 1295 NZ LYS B 85 12.274 -0.342 -12.280 1.00 0.00 N1+ ATOM 0 H LYS B 85 8.804 0.446 -7.768 1.00 0.00 H new ATOM 0 HA LYS B 85 11.016 -1.441 -7.523 1.00 0.00 H new ATOM 0 HB2 LYS B 85 10.930 1.574 -7.872 1.00 0.00 H new ATOM 0 HB3 LYS B 85 12.381 0.591 -7.907 1.00 0.00 H new ATOM 0 HG2 LYS B 85 11.398 -0.671 -9.866 1.00 0.00 H new ATOM 0 HG3 LYS B 85 10.067 0.470 -9.872 1.00 0.00 H new ATOM 0 HD2 LYS B 85 11.633 2.341 -10.242 1.00 0.00 H new ATOM 0 HD3 LYS B 85 12.998 1.247 -10.147 1.00 0.00 H new ATOM 0 HE2 LYS B 85 10.790 1.166 -12.243 1.00 0.00 H new ATOM 0 HE3 LYS B 85 12.420 1.758 -12.493 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 12.877 -0.309 -13.126 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 12.813 -0.741 -11.486 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 11.444 -0.939 -12.470 1.00 0.00 H new ATOM 1309 N GLY B 86 12.189 -0.195 -5.403 1.00 0.00 N ATOM 1310 CA GLY B 86 12.519 -0.033 -4.002 1.00 0.00 C ATOM 1311 C GLY B 86 13.651 0.943 -3.762 1.00 0.00 C ATOM 1312 O GLY B 86 14.789 0.686 -4.148 1.00 0.00 O ATOM 0 H GLY B 86 12.987 -0.305 -6.029 1.00 0.00 H new ATOM 0 HA2 GLY B 86 11.634 0.308 -3.465 1.00 0.00 H new ATOM 0 HA3 GLY B 86 12.790 -1.003 -3.585 1.00 0.00 H new ATOM 1316 N MET B 87 13.326 2.060 -3.104 1.00 0.00 N ATOM 1317 CA MET B 87 14.317 3.073 -2.737 1.00 0.00 C ATOM 1318 C MET B 87 13.676 4.180 -1.886 1.00 0.00 C ATOM 1319 O MET B 87 14.138 4.446 -0.779 1.00 0.00 O ATOM 1320 CB MET B 87 15.043 3.653 -3.970 1.00 0.00 C ATOM 1321 CG MET B 87 14.159 4.409 -4.944 1.00 0.00 C ATOM 1322 SD MET B 87 15.051 4.972 -6.407 1.00 0.00 S ATOM 1323 CE MET B 87 15.585 3.413 -7.111 1.00 0.00 C ATOM 0 H MET B 87 12.375 2.286 -2.813 1.00 0.00 H new ATOM 0 HA MET B 87 15.078 2.580 -2.133 1.00 0.00 H new ATOM 0 HB2 MET B 87 15.832 4.322 -3.626 1.00 0.00 H new ATOM 0 HB3 MET B 87 15.528 2.836 -4.504 1.00 0.00 H new ATOM 0 HG2 MET B 87 13.334 3.767 -5.252 1.00 0.00 H new ATOM 0 HG3 MET B 87 13.721 5.269 -4.438 1.00 0.00 H new ATOM 0 HE1 MET B 87 15.503 3.457 -8.197 1.00 0.00 H new ATOM 0 HE2 MET B 87 16.622 3.224 -6.833 1.00 0.00 H new ATOM 0 HE3 MET B 87 14.955 2.608 -6.732 1.00 0.00 H new ATOM 1333 N TYR B 88 12.608 4.823 -2.372 1.00 0.00 N ATOM 1334 CA TYR B 88 11.898 5.795 -1.560 1.00 0.00 C ATOM 1335 C TYR B 88 10.397 5.651 -1.764 1.00 0.00 C ATOM 1336 O TYR B 88 9.792 6.368 -2.556 1.00 0.00 O ATOM 1337 CB TYR B 88 12.341 7.217 -1.904 1.00 0.00 C ATOM 1338 CG TYR B 88 12.131 8.195 -0.768 1.00 0.00 C ATOM 1339 CD1 TYR B 88 10.922 8.859 -0.607 1.00 0.00 C ATOM 1340 CD2 TYR B 88 13.140 8.442 0.154 1.00 0.00 C ATOM 1341 CE1 TYR B 88 10.726 9.741 0.438 1.00 0.00 C ATOM 1342 CE2 TYR B 88 12.949 9.319 1.205 1.00 0.00 C ATOM 1343 CZ TYR B 88 11.740 9.966 1.342 1.00 0.00 C ATOM 1344 OH TYR B 88 11.539 10.836 2.392 1.00 0.00 O ATOM 0 H TYR B 88 12.228 4.686 -3.308 1.00 0.00 H new ATOM 0 HA TYR B 88 12.135 5.606 -0.513 1.00 0.00 H new ATOM 0 HB2 TYR B 88 13.396 7.207 -2.176 1.00 0.00 H new ATOM 0 HB3 TYR B 88 11.790 7.561 -2.779 1.00 0.00 H new ATOM 0 HD1 TYR B 88 10.122 8.683 -1.310 1.00 0.00 H new ATOM 0 HD2 TYR B 88 14.090 7.940 0.048 1.00 0.00 H new ATOM 0 HE1 TYR B 88 9.781 10.252 0.546 1.00 0.00 H new ATOM 0 HE2 TYR B 88 13.743 9.496 1.915 1.00 0.00 H new ATOM 0 HH TYR B 88 12.351 10.882 2.938 1.00 0.00 H new ATOM 1354 N ILE B 89 9.813 4.685 -1.085 1.00 0.00 N ATOM 1355 CA ILE B 89 8.377 4.507 -1.101 1.00 0.00 C ATOM 1356 C ILE B 89 7.750 5.216 0.090 1.00 0.00 C ATOM 1357 O ILE B 89 8.165 5.016 1.232 1.00 0.00 O ATOM 1358 CB ILE B 89 7.995 3.003 -1.104 1.00 0.00 C ATOM 1359 CG1 ILE B 89 8.281 2.385 -2.477 1.00 0.00 C ATOM 1360 CG2 ILE B 89 6.529 2.805 -0.735 1.00 0.00 C ATOM 1361 CD1 ILE B 89 9.747 2.296 -2.834 1.00 0.00 C ATOM 0 H ILE B 89 10.315 4.007 -0.512 1.00 0.00 H new ATOM 0 HA ILE B 89 7.990 4.948 -2.020 1.00 0.00 H new ATOM 0 HB ILE B 89 8.604 2.500 -0.353 1.00 0.00 H new ATOM 0 HG12 ILE B 89 7.852 1.383 -2.506 1.00 0.00 H new ATOM 0 HG13 ILE B 89 7.770 2.973 -3.239 1.00 0.00 H new ATOM 0 HG21 ILE B 89 6.292 1.741 -0.746 1.00 0.00 H new ATOM 0 HG22 ILE B 89 6.347 3.207 0.262 1.00 0.00 H new ATOM 0 HG23 ILE B 89 5.899 3.325 -1.457 1.00 0.00 H new ATOM 0 HD11 ILE B 89 9.854 1.847 -3.821 1.00 0.00 H new ATOM 0 HD12 ILE B 89 10.181 3.296 -2.841 1.00 0.00 H new ATOM 0 HD13 ILE B 89 10.264 1.681 -2.097 1.00 0.00 H new ATOM 1373 N GLU B 90 6.774 6.068 -0.179 1.00 0.00 N ATOM 1374 CA GLU B 90 6.098 6.794 0.883 1.00 0.00 C ATOM 1375 C GLU B 90 4.685 6.279 1.059 1.00 0.00 C ATOM 1376 O GLU B 90 4.209 5.440 0.290 1.00 0.00 O ATOM 1377 CB GLU B 90 6.038 8.291 0.596 1.00 0.00 C ATOM 1378 CG GLU B 90 7.351 8.892 0.137 1.00 0.00 C ATOM 1379 CD GLU B 90 7.224 10.364 -0.180 1.00 0.00 C ATOM 1380 OE1 GLU B 90 6.846 11.142 0.722 1.00 0.00 O ATOM 1381 OE2 GLU B 90 7.497 10.755 -1.329 1.00 0.00 O1- ATOM 0 H GLU B 90 6.434 6.273 -1.118 1.00 0.00 H new ATOM 0 HA GLU B 90 6.674 6.633 1.794 1.00 0.00 H new ATOM 0 HB2 GLU B 90 5.282 8.472 -0.168 1.00 0.00 H new ATOM 0 HB3 GLU B 90 5.710 8.809 1.497 1.00 0.00 H new ATOM 0 HG2 GLU B 90 8.104 8.753 0.913 1.00 0.00 H new ATOM 0 HG3 GLU B 90 7.703 8.360 -0.747 1.00 0.00 H new ATOM 1388 N ILE B 91 4.019 6.816 2.063 1.00 0.00 N ATOM 1389 CA ILE B 91 2.670 6.405 2.423 1.00 0.00 C ATOM 1390 C ILE B 91 1.924 7.612 2.978 1.00 0.00 C ATOM 1391 O ILE B 91 2.142 7.989 4.130 1.00 0.00 O ATOM 1392 CB ILE B 91 2.674 5.331 3.538 1.00 0.00 C ATOM 1393 CG1 ILE B 91 3.792 4.306 3.331 1.00 0.00 C ATOM 1394 CG2 ILE B 91 1.324 4.632 3.610 1.00 0.00 C ATOM 1395 CD1 ILE B 91 4.113 3.504 4.574 1.00 0.00 C ATOM 0 H ILE B 91 4.398 7.554 2.657 1.00 0.00 H new ATOM 0 HA ILE B 91 2.200 5.998 1.528 1.00 0.00 H new ATOM 0 HB ILE B 91 2.860 5.840 4.484 1.00 0.00 H new ATOM 0 HG12 ILE B 91 3.505 3.623 2.532 1.00 0.00 H new ATOM 0 HG13 ILE B 91 4.692 4.824 3.000 1.00 0.00 H new ATOM 0 HG21 ILE B 91 1.345 3.880 4.399 1.00 0.00 H new ATOM 0 HG22 ILE B 91 0.546 5.364 3.827 1.00 0.00 H new ATOM 0 HG23 ILE B 91 1.112 4.150 2.655 1.00 0.00 H new ATOM 0 HD11 ILE B 91 4.914 2.798 4.355 1.00 0.00 H new ATOM 0 HD12 ILE B 91 4.431 4.178 5.370 1.00 0.00 H new ATOM 0 HD13 ILE B 91 3.225 2.958 4.894 1.00 0.00 H new ATOM 1407 N LYS B 92 1.062 8.228 2.186 1.00 0.00 N ATOM 1408 CA LYS B 92 0.427 9.470 2.615 1.00 0.00 C ATOM 1409 C LYS B 92 -0.787 9.821 1.765 1.00 0.00 C ATOM 1410 O LYS B 92 -0.988 9.266 0.686 1.00 0.00 O ATOM 1411 CB LYS B 92 1.448 10.605 2.549 1.00 0.00 C ATOM 1412 CG LYS B 92 2.029 10.795 1.163 1.00 0.00 C ATOM 1413 CD LYS B 92 3.292 11.636 1.196 1.00 0.00 C ATOM 1414 CE LYS B 92 3.746 12.016 -0.205 1.00 0.00 C ATOM 1415 NZ LYS B 92 5.001 12.811 -0.186 1.00 0.00 N1+ ATOM 0 H LYS B 92 0.788 7.900 1.260 1.00 0.00 H new ATOM 0 HA LYS B 92 0.077 9.330 3.638 1.00 0.00 H new ATOM 0 HB2 LYS B 92 0.974 11.533 2.869 1.00 0.00 H new ATOM 0 HB3 LYS B 92 2.256 10.401 3.252 1.00 0.00 H new ATOM 0 HG2 LYS B 92 2.251 9.822 0.724 1.00 0.00 H new ATOM 0 HG3 LYS B 92 1.290 11.273 0.521 1.00 0.00 H new ATOM 0 HD2 LYS B 92 3.114 12.539 1.779 1.00 0.00 H new ATOM 0 HD3 LYS B 92 4.085 11.083 1.699 1.00 0.00 H new ATOM 0 HE2 LYS B 92 3.898 11.112 -0.795 1.00 0.00 H new ATOM 0 HE3 LYS B 92 2.961 12.589 -0.698 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 5.430 12.805 -1.133 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 4.787 13.790 0.092 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 5.665 12.395 0.497 1.00 0.00 H new ATOM 1429 N GLN B 93 -1.577 10.759 2.270 1.00 0.00 N ATOM 1430 CA GLN B 93 -2.766 11.236 1.591 1.00 0.00 C ATOM 1431 C GLN B 93 -2.396 12.124 0.417 1.00 0.00 C ATOM 1432 O GLN B 93 -1.295 12.679 0.351 1.00 0.00 O ATOM 1433 CB GLN B 93 -3.677 12.005 2.557 1.00 0.00 C ATOM 1434 CG GLN B 93 -3.159 13.385 2.956 1.00 0.00 C ATOM 1435 CD GLN B 93 -1.938 13.339 3.855 1.00 0.00 C ATOM 1436 OE1 GLN B 93 -2.058 13.298 5.078 1.00 0.00 O ATOM 1437 NE2 GLN B 93 -0.756 13.357 3.259 1.00 0.00 N ATOM 0 H GLN B 93 -1.406 11.211 3.168 1.00 0.00 H new ATOM 0 HA GLN B 93 -3.306 10.366 1.218 1.00 0.00 H new ATOM 0 HB2 GLN B 93 -4.659 12.119 2.097 1.00 0.00 H new ATOM 0 HB3 GLN B 93 -3.815 11.408 3.459 1.00 0.00 H new ATOM 0 HG2 GLN B 93 -2.915 13.947 2.054 1.00 0.00 H new ATOM 0 HG3 GLN B 93 -3.954 13.929 3.465 1.00 0.00 H new ATOM 0 HE21 GLN B 93 -0.699 13.391 2.241 1.00 0.00 H new ATOM 0 HE22 GLN B 93 0.097 13.337 3.818 1.00 0.00 H new ATOM 1446 N ILE B 94 -3.333 12.257 -0.489 1.00 0.00 N ATOM 1447 CA ILE B 94 -3.146 13.013 -1.705 1.00 0.00 C ATOM 1448 C ILE B 94 -4.060 14.231 -1.728 1.00 0.00 C ATOM 1449 O ILE B 94 -5.270 14.071 -1.997 1.00 0.00 O ATOM 1450 CB ILE B 94 -3.411 12.111 -2.921 1.00 0.00 C ATOM 1451 CG1 ILE B 94 -4.612 11.208 -2.628 1.00 0.00 C ATOM 1452 CG2 ILE B 94 -2.177 11.280 -3.221 1.00 0.00 C ATOM 1453 CD1 ILE B 94 -4.960 10.248 -3.742 1.00 0.00 C ATOM 1454 OXT ILE B 94 -3.567 15.345 -1.464 1.00 0.00 O ATOM 0 H ILE B 94 -4.259 11.838 -0.403 1.00 0.00 H new ATOM 0 HA ILE B 94 -2.116 13.368 -1.746 1.00 0.00 H new ATOM 0 HB ILE B 94 -3.635 12.724 -3.794 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -4.408 10.636 -1.723 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -5.480 11.834 -2.421 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -2.369 10.642 -4.084 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -1.337 11.940 -3.438 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -1.937 10.660 -2.357 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -5.822 9.648 -3.449 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -5.199 10.810 -4.645 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -4.111 9.593 -3.936 1.00 0.00 H new TER 1466 ILE B 94