USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 772 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 GLN : amide:sc= 0.31 K(o=0.6,f=-0.2) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0.294 USER MOD Set 2.1: A 41 SER OG : rot -64:sc= 1.79 USER MOD Set 2.2: A 52 THR OG1 : rot 180:sc= 0.817 USER MOD Set 3.1: A 7 LYS NZ :NH3+ -157:sc= 1.22 (180deg=0) USER MOD Set 3.2: A 46 ASN : amide:sc= 0.954 K(o=2.2,f=-6.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 12 SER OG : rot 151:sc= 1.05 USER MOD Single : A 13 ASN : amide:sc= -0.0684 K(o=-0.068,f=-1.4) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.0123 K(o=-0.012,f=-1) USER MOD Single : A 24 SER OG : rot 29:sc= 0.645 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 27 GLN : amide:sc= 1.1 K(o=1.1,f=-5.9!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 142:sc= -0.155 (180deg=-0.808) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 160:sc= -0.119 (180deg=-0.839) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 58 GLN : amide:sc=-0.00059 K(o=-0.00059,f=-0.86) USER MOD Single : A 59 GLN : amide:sc= 0.657 K(o=0.66,f=-6.8!) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.21 USER MOD Single : A 61 HIS : no HD1:sc= 0.107 K(o=0.11,f=-3.3!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 72 SER OG : rot -170:sc= -2.32! USER MOD Single : A 73 TYR OH : rot 130:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00357 USER MOD Single : A 83 SER OG : rot 168:sc= 1.33 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.144 K(o=-0.14,f=-3.1!) USER MOD Single : A 92 HIS : no HE2:sc= -0.0489 K(o=-0.049,f=-1.8) USER MOD Single : A 93 HIS : no HD1:sc= -1.9! K(o=-1.9!,f=-0.0016) USER MOD Single : A 94 HIS : no HD1:sc= -0.0503 X(o=-0.05,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.0428 X(o=-0.043,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.0094) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.382 -22.930 -5.225 1.00 0.00 N ATOM 2 CA MET A 1 6.775 -22.012 -6.213 1.00 0.00 C ATOM 3 C MET A 1 6.571 -20.630 -5.603 1.00 0.00 C ATOM 4 O MET A 1 7.292 -19.689 -5.937 1.00 0.00 O ATOM 5 CB MET A 1 5.440 -22.571 -6.717 1.00 0.00 C ATOM 6 CG MET A 1 4.732 -21.659 -7.707 1.00 0.00 C ATOM 7 SD MET A 1 3.181 -22.355 -8.308 1.00 0.00 S ATOM 8 CE MET A 1 2.589 -21.017 -9.343 1.00 0.00 C ATOM 0 H1 MET A 1 7.514 -23.867 -5.657 1.00 0.00 H new ATOM 0 H2 MET A 1 8.304 -22.555 -4.923 1.00 0.00 H new ATOM 0 H3 MET A 1 6.756 -23.015 -4.399 1.00 0.00 H new ATOM 0 HA MET A 1 7.456 -21.922 -7.060 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.616 -23.538 -7.188 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.784 -22.746 -5.864 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.534 -20.698 -7.232 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.391 -21.467 -8.553 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.634 -21.296 -9.788 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.459 -20.119 -8.738 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.314 -20.820 -10.133 1.00 0.00 H new ATOM 20 N ALA A 2 5.593 -20.528 -4.699 1.00 0.00 N ATOM 21 CA ALA A 2 5.247 -19.270 -4.038 1.00 0.00 C ATOM 22 C ALA A 2 4.809 -18.207 -5.045 1.00 0.00 C ATOM 23 O ALA A 2 5.625 -17.425 -5.533 1.00 0.00 O ATOM 24 CB ALA A 2 6.404 -18.759 -3.187 1.00 0.00 C ATOM 0 H ALA A 2 5.019 -21.318 -4.405 1.00 0.00 H new ATOM 0 HA ALA A 2 4.402 -19.473 -3.380 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.118 -17.823 -2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.648 -19.498 -2.423 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.275 -18.591 -3.820 1.00 0.00 H new ATOM 30 N PRO A 3 3.513 -18.190 -5.394 1.00 0.00 N ATOM 31 CA PRO A 3 2.948 -17.177 -6.296 1.00 0.00 C ATOM 32 C PRO A 3 2.886 -15.790 -5.657 1.00 0.00 C ATOM 33 O PRO A 3 2.827 -14.777 -6.354 1.00 0.00 O ATOM 34 CB PRO A 3 1.535 -17.692 -6.575 1.00 0.00 C ATOM 35 CG PRO A 3 1.205 -18.565 -5.415 1.00 0.00 C ATOM 36 CD PRO A 3 2.503 -19.175 -4.966 1.00 0.00 C ATOM 0 HA PRO A 3 3.558 -17.052 -7.190 1.00 0.00 H new ATOM 0 HB2 PRO A 3 0.826 -16.869 -6.664 1.00 0.00 H new ATOM 0 HB3 PRO A 3 1.496 -18.249 -7.511 1.00 0.00 H new ATOM 0 HG2 PRO A 3 0.748 -17.988 -4.611 1.00 0.00 H new ATOM 0 HG3 PRO A 3 0.490 -19.337 -5.700 1.00 0.00 H new ATOM 0 HD2 PRO A 3 2.523 -19.327 -3.887 1.00 0.00 H new ATOM 0 HD3 PRO A 3 2.670 -20.148 -5.428 1.00 0.00 H new ATOM 44 N LEU A 4 2.890 -15.752 -4.329 1.00 0.00 N ATOM 45 CA LEU A 4 2.851 -14.493 -3.600 1.00 0.00 C ATOM 46 C LEU A 4 4.174 -13.763 -3.751 1.00 0.00 C ATOM 47 O LEU A 4 5.214 -14.240 -3.289 1.00 0.00 O ATOM 48 CB LEU A 4 2.576 -14.741 -2.119 1.00 0.00 C ATOM 49 CG LEU A 4 1.985 -13.570 -1.346 1.00 0.00 C ATOM 50 CD1 LEU A 4 0.658 -13.143 -1.952 1.00 0.00 C ATOM 51 CD2 LEU A 4 1.811 -13.964 0.110 1.00 0.00 C ATOM 0 H LEU A 4 2.920 -16.581 -3.736 1.00 0.00 H new ATOM 0 HA LEU A 4 2.049 -13.882 -4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 4 1.896 -15.588 -2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.511 -15.033 -1.640 1.00 0.00 H new ATOM 0 HG LEU A 4 2.666 -12.721 -1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.252 -12.305 -1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.812 -12.840 -2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.043 -13.977 -1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.388 -13.127 0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.140 -14.820 0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.780 -14.228 0.534 1.00 0.00 H new ATOM 63 N GLN A 5 4.146 -12.624 -4.409 1.00 0.00 N ATOM 64 CA GLN A 5 5.341 -11.827 -4.574 1.00 0.00 C ATOM 65 C GLN A 5 5.354 -10.713 -3.547 1.00 0.00 C ATOM 66 O GLN A 5 4.515 -9.816 -3.581 1.00 0.00 O ATOM 67 CB GLN A 5 5.421 -11.260 -5.992 1.00 0.00 C ATOM 68 CG GLN A 5 5.406 -12.336 -7.062 1.00 0.00 C ATOM 69 CD GLN A 5 5.565 -11.787 -8.466 1.00 0.00 C ATOM 70 OE1 GLN A 5 5.170 -10.657 -8.760 1.00 0.00 O ATOM 71 NE2 GLN A 5 6.143 -12.589 -9.346 1.00 0.00 N ATOM 0 H GLN A 5 3.309 -12.230 -4.838 1.00 0.00 H new ATOM 0 HA GLN A 5 6.215 -12.460 -4.420 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.583 -10.582 -6.154 1.00 0.00 H new ATOM 0 HB3 GLN A 5 6.332 -10.670 -6.091 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.208 -13.047 -6.864 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.468 -12.888 -6.999 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.456 -13.517 -9.062 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.276 -12.279 -10.309 1.00 0.00 H new ATOM 80 N GLN A 6 6.283 -10.791 -2.614 1.00 0.00 N ATOM 81 CA GLN A 6 6.380 -9.797 -1.567 1.00 0.00 C ATOM 82 C GLN A 6 7.518 -8.830 -1.847 1.00 0.00 C ATOM 83 O GLN A 6 8.694 -9.201 -1.829 1.00 0.00 O ATOM 84 CB GLN A 6 6.549 -10.459 -0.201 1.00 0.00 C ATOM 85 CG GLN A 6 5.319 -11.230 0.250 1.00 0.00 C ATOM 86 CD GLN A 6 5.435 -11.733 1.674 1.00 0.00 C ATOM 87 OE1 GLN A 6 6.528 -12.038 2.152 1.00 0.00 O ATOM 88 NE2 GLN A 6 4.311 -11.817 2.366 1.00 0.00 N ATOM 0 H GLN A 6 6.981 -11.533 -2.561 1.00 0.00 H new ATOM 0 HA GLN A 6 5.450 -9.229 -1.551 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.401 -11.137 -0.237 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.781 -9.694 0.540 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.442 -10.588 0.166 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.160 -12.076 -0.418 1.00 0.00 H new ATOM 0 HE21 GLN A 6 3.425 -11.555 1.934 1.00 0.00 H new ATOM 0 HE22 GLN A 6 4.330 -12.144 3.332 1.00 0.00 H new ATOM 97 N LYS A 7 7.139 -7.596 -2.127 1.00 0.00 N ATOM 98 CA LYS A 7 8.088 -6.534 -2.410 1.00 0.00 C ATOM 99 C LYS A 7 8.000 -5.477 -1.321 1.00 0.00 C ATOM 100 O LYS A 7 6.917 -5.002 -1.005 1.00 0.00 O ATOM 101 CB LYS A 7 7.773 -5.903 -3.773 1.00 0.00 C ATOM 102 CG LYS A 7 8.550 -4.626 -4.071 1.00 0.00 C ATOM 103 CD LYS A 7 10.006 -4.904 -4.401 1.00 0.00 C ATOM 104 CE LYS A 7 10.144 -5.661 -5.711 1.00 0.00 C ATOM 105 NZ LYS A 7 11.566 -5.839 -6.098 1.00 0.00 N ATOM 0 H LYS A 7 6.163 -7.301 -2.165 1.00 0.00 H new ATOM 0 HA LYS A 7 9.097 -6.947 -2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.984 -6.633 -4.555 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.706 -5.684 -3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.083 -4.105 -4.907 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.495 -3.960 -3.210 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.552 -3.963 -4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.459 -5.482 -3.596 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.668 -6.637 -5.619 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.618 -5.123 -6.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.630 -5.991 -7.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.105 -4.988 -5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.960 -6.663 -5.601 1.00 0.00 H new ATOM 119 N GLN A 8 9.132 -5.132 -0.738 1.00 0.00 N ATOM 120 CA GLN A 8 9.150 -4.077 0.260 1.00 0.00 C ATOM 121 C GLN A 8 9.058 -2.722 -0.418 1.00 0.00 C ATOM 122 O GLN A 8 9.845 -2.393 -1.309 1.00 0.00 O ATOM 123 CB GLN A 8 10.390 -4.173 1.147 1.00 0.00 C ATOM 124 CG GLN A 8 10.381 -5.404 2.034 1.00 0.00 C ATOM 125 CD GLN A 8 11.395 -5.333 3.157 1.00 0.00 C ATOM 126 OE1 GLN A 8 12.456 -4.721 3.023 1.00 0.00 O ATOM 127 NE2 GLN A 8 11.065 -5.947 4.281 1.00 0.00 N ATOM 0 H GLN A 8 10.038 -5.558 -0.933 1.00 0.00 H new ATOM 0 HA GLN A 8 8.283 -4.198 0.909 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.281 -4.189 0.519 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.456 -3.281 1.770 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.385 -5.531 2.459 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.583 -6.285 1.425 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.176 -6.443 4.349 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.699 -5.925 5.079 1.00 0.00 H new ATOM 136 N VAL A 9 8.071 -1.950 -0.003 1.00 0.00 N ATOM 137 CA VAL A 9 7.757 -0.691 -0.649 1.00 0.00 C ATOM 138 C VAL A 9 7.590 0.423 0.372 1.00 0.00 C ATOM 139 O VAL A 9 7.464 0.173 1.573 1.00 0.00 O ATOM 140 CB VAL A 9 6.460 -0.798 -1.483 1.00 0.00 C ATOM 141 CG1 VAL A 9 6.669 -1.678 -2.707 1.00 0.00 C ATOM 142 CG2 VAL A 9 5.322 -1.339 -0.626 1.00 0.00 C ATOM 0 H VAL A 9 7.468 -2.177 0.787 1.00 0.00 H new ATOM 0 HA VAL A 9 8.593 -0.457 -1.308 1.00 0.00 H new ATOM 0 HB VAL A 9 6.194 0.201 -1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.741 -1.736 -3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.452 -1.251 -3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.964 -2.678 -2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.415 -1.409 -1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.587 -2.328 -0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.149 -0.668 0.215 1.00 0.00 H new ATOM 152 N VAL A 10 7.607 1.647 -0.118 1.00 0.00 N ATOM 153 CA VAL A 10 7.358 2.811 0.708 1.00 0.00 C ATOM 154 C VAL A 10 5.936 3.303 0.489 1.00 0.00 C ATOM 155 O VAL A 10 5.527 3.534 -0.649 1.00 0.00 O ATOM 156 CB VAL A 10 8.315 3.971 0.361 1.00 0.00 C ATOM 157 CG1 VAL A 10 8.206 5.089 1.387 1.00 0.00 C ATOM 158 CG2 VAL A 10 9.747 3.484 0.246 1.00 0.00 C ATOM 0 H VAL A 10 7.793 1.862 -1.098 1.00 0.00 H new ATOM 0 HA VAL A 10 7.516 2.511 1.744 1.00 0.00 H new ATOM 0 HB VAL A 10 8.018 4.369 -0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.890 5.895 1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.185 5.470 1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.465 4.704 2.373 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.398 4.323 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.060 3.047 1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.813 2.732 -0.540 1.00 0.00 H new ATOM 168 N VAL A 11 5.179 3.443 1.565 1.00 0.00 N ATOM 169 CA VAL A 11 3.891 4.109 1.490 1.00 0.00 C ATOM 170 C VAL A 11 4.138 5.603 1.339 1.00 0.00 C ATOM 171 O VAL A 11 4.317 6.313 2.327 1.00 0.00 O ATOM 172 CB VAL A 11 3.030 3.845 2.743 1.00 0.00 C ATOM 173 CG1 VAL A 11 1.634 4.427 2.571 1.00 0.00 C ATOM 174 CG2 VAL A 11 2.960 2.355 3.039 1.00 0.00 C ATOM 0 H VAL A 11 5.432 3.107 2.494 1.00 0.00 H new ATOM 0 HA VAL A 11 3.341 3.715 0.635 1.00 0.00 H new ATOM 0 HB VAL A 11 3.501 4.341 3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.044 4.229 3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.705 5.503 2.414 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.151 3.966 1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.349 2.189 3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.516 1.836 2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.965 1.971 3.214 1.00 0.00 H new ATOM 184 N SER A 12 4.193 6.062 0.096 1.00 0.00 N ATOM 185 CA SER A 12 4.638 7.414 -0.204 1.00 0.00 C ATOM 186 C SER A 12 3.644 8.460 0.279 1.00 0.00 C ATOM 187 O SER A 12 4.033 9.447 0.908 1.00 0.00 O ATOM 188 CB SER A 12 4.884 7.557 -1.706 1.00 0.00 C ATOM 189 OG SER A 12 3.788 7.056 -2.452 1.00 0.00 O ATOM 0 H SER A 12 3.933 5.514 -0.724 1.00 0.00 H new ATOM 0 HA SER A 12 5.571 7.588 0.332 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.047 8.606 -1.953 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.792 7.020 -1.982 1.00 0.00 H new ATOM 0 HG SER A 12 3.724 7.537 -3.303 1.00 0.00 H new ATOM 195 N ASN A 13 2.370 8.244 -0.012 1.00 0.00 N ATOM 196 CA ASN A 13 1.328 9.170 0.403 1.00 0.00 C ATOM 197 C ASN A 13 -0.044 8.549 0.200 1.00 0.00 C ATOM 198 O ASN A 13 -0.236 7.722 -0.699 1.00 0.00 O ATOM 199 CB ASN A 13 1.427 10.481 -0.392 1.00 0.00 C ATOM 200 CG ASN A 13 0.502 11.563 0.141 1.00 0.00 C ATOM 201 OD1 ASN A 13 0.203 11.609 1.334 1.00 0.00 O ATOM 202 ND2 ASN A 13 0.057 12.451 -0.735 1.00 0.00 N ATOM 0 H ASN A 13 2.033 7.435 -0.534 1.00 0.00 H new ATOM 0 HA ASN A 13 1.466 9.387 1.462 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.455 10.842 -0.363 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.187 10.286 -1.437 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.556 13.207 -0.429 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.327 12.379 -1.716 1.00 0.00 H new ATOM 209 N LYS A 14 -0.987 8.932 1.046 1.00 0.00 N ATOM 210 CA LYS A 14 -2.368 8.526 0.880 1.00 0.00 C ATOM 211 C LYS A 14 -3.086 9.570 0.036 1.00 0.00 C ATOM 212 O LYS A 14 -3.134 10.753 0.386 1.00 0.00 O ATOM 213 CB LYS A 14 -3.059 8.347 2.238 1.00 0.00 C ATOM 214 CG LYS A 14 -3.018 9.585 3.117 1.00 0.00 C ATOM 215 CD LYS A 14 -3.769 9.374 4.418 1.00 0.00 C ATOM 216 CE LYS A 14 -3.783 10.642 5.249 1.00 0.00 C ATOM 217 NZ LYS A 14 -4.493 10.460 6.541 1.00 0.00 N ATOM 0 H LYS A 14 -0.817 9.526 1.857 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.403 7.561 0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.099 8.066 2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.587 7.521 2.769 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.981 9.844 3.333 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.452 10.428 2.579 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.792 9.063 4.205 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.302 8.568 4.985 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.758 10.959 5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.263 11.440 4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.477 11.353 7.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.479 10.183 6.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.021 9.717 7.095 1.00 0.00 H new ATOM 231 N ARG A 15 -3.621 9.142 -1.089 1.00 0.00 N ATOM 232 CA ARG A 15 -4.197 10.067 -2.044 1.00 0.00 C ATOM 233 C ARG A 15 -5.705 9.921 -2.088 1.00 0.00 C ATOM 234 O ARG A 15 -6.236 8.820 -1.949 1.00 0.00 O ATOM 235 CB ARG A 15 -3.628 9.816 -3.443 1.00 0.00 C ATOM 236 CG ARG A 15 -2.117 9.663 -3.487 1.00 0.00 C ATOM 237 CD ARG A 15 -1.627 9.504 -4.917 1.00 0.00 C ATOM 238 NE ARG A 15 -0.215 9.129 -4.985 1.00 0.00 N ATOM 239 CZ ARG A 15 0.735 9.893 -5.517 1.00 0.00 C ATOM 240 NH1 ARG A 15 0.441 11.105 -5.963 1.00 0.00 N ATOM 241 NH2 ARG A 15 1.985 9.453 -5.590 1.00 0.00 N ATOM 0 H ARG A 15 -3.669 8.161 -1.364 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.943 11.078 -1.725 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.084 8.914 -3.851 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.917 10.642 -4.093 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.646 10.535 -3.032 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.818 8.796 -2.898 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.226 8.746 -5.421 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.778 10.439 -5.456 1.00 0.00 H new ATOM 0 HE ARG A 15 0.058 8.225 -4.600 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.515 11.454 -5.899 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.171 11.689 -6.371 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.221 8.525 -5.237 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.710 10.042 -5.999 1.00 0.00 H new ATOM 255 N GLU A 16 -6.389 11.035 -2.272 1.00 0.00 N ATOM 256 CA GLU A 16 -7.823 11.015 -2.484 1.00 0.00 C ATOM 257 C GLU A 16 -8.099 11.055 -3.980 1.00 0.00 C ATOM 258 O GLU A 16 -8.096 12.123 -4.593 1.00 0.00 O ATOM 259 CB GLU A 16 -8.476 12.210 -1.789 1.00 0.00 C ATOM 260 CG GLU A 16 -9.994 12.193 -1.827 1.00 0.00 C ATOM 261 CD GLU A 16 -10.591 13.484 -1.310 1.00 0.00 C ATOM 262 OE1 GLU A 16 -10.456 13.766 -0.101 1.00 0.00 O ATOM 263 OE2 GLU A 16 -11.194 14.226 -2.114 1.00 0.00 O ATOM 0 H GLU A 16 -5.973 11.966 -2.279 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.245 10.104 -2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.149 12.236 -0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.121 13.128 -2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.329 12.024 -2.850 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.362 11.359 -1.229 1.00 0.00 H new ATOM 270 N LYS A 17 -8.274 9.887 -4.577 1.00 0.00 N ATOM 271 CA LYS A 17 -8.504 9.799 -6.010 1.00 0.00 C ATOM 272 C LYS A 17 -9.982 9.600 -6.334 1.00 0.00 C ATOM 273 O LYS A 17 -10.544 8.528 -6.102 1.00 0.00 O ATOM 274 CB LYS A 17 -7.677 8.663 -6.611 1.00 0.00 C ATOM 275 CG LYS A 17 -6.184 8.947 -6.654 1.00 0.00 C ATOM 276 CD LYS A 17 -5.857 10.038 -7.662 1.00 0.00 C ATOM 277 CE LYS A 17 -4.365 10.326 -7.713 1.00 0.00 C ATOM 278 NZ LYS A 17 -4.021 11.280 -8.802 1.00 0.00 N ATOM 0 H LYS A 17 -8.261 8.989 -4.093 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.191 10.745 -6.452 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.848 7.756 -6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.029 8.466 -7.624 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.841 9.249 -5.664 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.646 8.036 -6.914 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.204 9.736 -8.650 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.395 10.949 -7.400 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.041 10.735 -6.756 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.820 9.394 -7.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.995 11.450 -8.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.307 10.879 -9.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.521 12.179 -8.647 1.00 0.00 H new ATOM 292 N PRO A 18 -10.636 10.644 -6.862 1.00 0.00 N ATOM 293 CA PRO A 18 -11.992 10.547 -7.358 1.00 0.00 C ATOM 294 C PRO A 18 -12.000 10.155 -8.831 1.00 0.00 C ATOM 295 O PRO A 18 -11.678 10.961 -9.702 1.00 0.00 O ATOM 296 CB PRO A 18 -12.535 11.964 -7.159 1.00 0.00 C ATOM 297 CG PRO A 18 -11.336 12.867 -7.159 1.00 0.00 C ATOM 298 CD PRO A 18 -10.102 12.002 -7.017 1.00 0.00 C ATOM 0 HA PRO A 18 -12.587 9.789 -6.849 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.227 12.233 -7.957 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -13.084 12.044 -6.221 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -11.293 13.444 -8.083 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -11.397 13.582 -6.339 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -9.457 12.080 -7.892 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.505 12.297 -6.154 1.00 0.00 H new ATOM 306 N VAL A 19 -12.349 8.904 -9.098 1.00 0.00 N ATOM 307 CA VAL A 19 -12.299 8.374 -10.452 1.00 0.00 C ATOM 308 C VAL A 19 -13.426 8.936 -11.307 1.00 0.00 C ATOM 309 O VAL A 19 -13.190 9.791 -12.160 1.00 0.00 O ATOM 310 CB VAL A 19 -12.372 6.833 -10.464 1.00 0.00 C ATOM 311 CG1 VAL A 19 -12.174 6.293 -11.873 1.00 0.00 C ATOM 312 CG2 VAL A 19 -11.341 6.248 -9.514 1.00 0.00 C ATOM 0 H VAL A 19 -12.670 8.238 -8.395 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.342 8.683 -10.872 1.00 0.00 H new ATOM 0 HB VAL A 19 -13.364 6.533 -10.125 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.229 5.205 -11.857 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.953 6.686 -12.526 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.197 6.601 -12.247 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.405 5.160 -9.533 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.343 6.559 -9.824 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.535 6.605 -8.502 1.00 0.00 H new ATOM 322 N ASN A 20 -14.646 8.459 -11.059 1.00 0.00 N ATOM 323 CA ASN A 20 -15.811 8.844 -11.853 1.00 0.00 C ATOM 324 C ASN A 20 -15.535 8.637 -13.337 1.00 0.00 C ATOM 325 O ASN A 20 -15.377 9.589 -14.105 1.00 0.00 O ATOM 326 CB ASN A 20 -16.226 10.289 -11.559 1.00 0.00 C ATOM 327 CG ASN A 20 -16.702 10.463 -10.130 1.00 0.00 C ATOM 328 OD1 ASN A 20 -17.248 9.535 -9.528 1.00 0.00 O ATOM 329 ND2 ASN A 20 -16.490 11.641 -9.570 1.00 0.00 N ATOM 0 H ASN A 20 -14.853 7.800 -10.308 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.646 8.202 -11.571 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.382 10.953 -11.743 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -17.020 10.585 -12.244 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -16.781 11.808 -8.607 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -16.035 12.384 -10.101 1.00 0.00 H new ATOM 336 N ASP A 21 -15.453 7.369 -13.717 1.00 0.00 N ATOM 337 CA ASP A 21 -15.152 6.975 -15.087 1.00 0.00 C ATOM 338 C ASP A 21 -16.293 7.383 -16.015 1.00 0.00 C ATOM 339 O ASP A 21 -17.376 7.741 -15.552 1.00 0.00 O ATOM 340 CB ASP A 21 -14.924 5.456 -15.134 1.00 0.00 C ATOM 341 CG ASP A 21 -14.531 4.939 -16.505 1.00 0.00 C ATOM 342 OD1 ASP A 21 -13.332 4.989 -16.844 1.00 0.00 O ATOM 343 OD2 ASP A 21 -15.421 4.471 -17.244 1.00 0.00 O ATOM 0 H ASP A 21 -15.594 6.583 -13.083 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.248 7.481 -15.426 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.144 5.193 -14.419 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.835 4.951 -14.813 1.00 0.00 H new ATOM 348 N ARG A 22 -16.051 7.333 -17.317 1.00 0.00 N ATOM 349 CA ARG A 22 -17.070 7.671 -18.306 1.00 0.00 C ATOM 350 C ARG A 22 -18.257 6.713 -18.199 1.00 0.00 C ATOM 351 O ARG A 22 -19.369 7.025 -18.624 1.00 0.00 O ATOM 352 CB ARG A 22 -16.472 7.612 -19.711 1.00 0.00 C ATOM 353 CG ARG A 22 -17.378 8.176 -20.790 1.00 0.00 C ATOM 354 CD ARG A 22 -16.813 7.912 -22.173 1.00 0.00 C ATOM 355 NE ARG A 22 -17.613 8.533 -23.224 1.00 0.00 N ATOM 356 CZ ARG A 22 -18.684 7.969 -23.783 1.00 0.00 C ATOM 357 NH1 ARG A 22 -19.140 6.799 -23.345 1.00 0.00 N ATOM 358 NH2 ARG A 22 -19.299 8.581 -24.785 1.00 0.00 N ATOM 0 H ARG A 22 -15.153 7.060 -17.717 1.00 0.00 H new ATOM 0 HA ARG A 22 -17.424 8.684 -18.112 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.530 8.161 -19.718 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.238 6.575 -19.952 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.369 7.729 -20.707 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.499 9.249 -20.642 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.792 8.290 -22.225 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.764 6.837 -22.344 1.00 0.00 H new ATOM 0 HE ARG A 22 -17.335 9.458 -23.552 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -18.670 6.324 -22.574 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -19.960 6.376 -23.780 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.952 9.478 -25.124 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -20.119 8.155 -25.217 1.00 0.00 H new ATOM 372 N ARG A 23 -18.005 5.541 -17.624 1.00 0.00 N ATOM 373 CA ARG A 23 -19.046 4.547 -17.408 1.00 0.00 C ATOM 374 C ARG A 23 -20.047 5.043 -16.369 1.00 0.00 C ATOM 375 O ARG A 23 -21.236 4.748 -16.449 1.00 0.00 O ATOM 376 CB ARG A 23 -18.423 3.227 -16.945 1.00 0.00 C ATOM 377 CG ARG A 23 -19.377 2.045 -16.988 1.00 0.00 C ATOM 378 CD ARG A 23 -18.701 0.767 -16.513 1.00 0.00 C ATOM 379 NE ARG A 23 -17.445 0.508 -17.223 1.00 0.00 N ATOM 380 CZ ARG A 23 -17.296 -0.412 -18.176 1.00 0.00 C ATOM 381 NH1 ARG A 23 -18.327 -1.161 -18.551 1.00 0.00 N ATOM 382 NH2 ARG A 23 -16.108 -0.585 -18.746 1.00 0.00 N ATOM 0 H ARG A 23 -17.081 5.257 -17.298 1.00 0.00 H new ATOM 0 HA ARG A 23 -19.571 4.382 -18.349 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -17.558 3.006 -17.571 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -18.056 3.348 -15.926 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -20.245 2.253 -16.362 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -19.743 1.908 -18.006 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -18.504 0.838 -15.443 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -19.378 -0.075 -16.657 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.631 1.069 -16.971 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -19.237 -1.033 -18.109 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.208 -1.864 -19.281 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.314 -0.015 -18.454 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -15.990 -1.288 -19.476 1.00 0.00 H new ATOM 396 N SER A 24 -19.556 5.803 -15.401 1.00 0.00 N ATOM 397 CA SER A 24 -20.397 6.331 -14.338 1.00 0.00 C ATOM 398 C SER A 24 -20.819 7.764 -14.643 1.00 0.00 C ATOM 399 O SER A 24 -19.978 8.632 -14.884 1.00 0.00 O ATOM 400 CB SER A 24 -19.648 6.263 -13.007 1.00 0.00 C ATOM 401 OG SER A 24 -18.333 6.779 -13.140 1.00 0.00 O ATOM 0 H SER A 24 -18.574 6.069 -15.330 1.00 0.00 H new ATOM 0 HA SER A 24 -21.300 5.724 -14.269 1.00 0.00 H new ATOM 0 HB2 SER A 24 -20.191 6.830 -12.250 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.605 5.230 -12.662 1.00 0.00 H new ATOM 0 HG SER A 24 -18.319 7.460 -13.844 1.00 0.00 H new ATOM 407 N ARG A 25 -22.117 8.005 -14.637 1.00 0.00 N ATOM 408 CA ARG A 25 -22.650 9.322 -14.945 1.00 0.00 C ATOM 409 C ARG A 25 -23.525 9.808 -13.797 1.00 0.00 C ATOM 410 O ARG A 25 -23.703 9.100 -12.806 1.00 0.00 O ATOM 411 CB ARG A 25 -23.446 9.273 -16.250 1.00 0.00 C ATOM 412 CG ARG A 25 -22.613 8.841 -17.448 1.00 0.00 C ATOM 413 CD ARG A 25 -23.458 8.683 -18.702 1.00 0.00 C ATOM 414 NE ARG A 25 -24.557 7.738 -18.505 1.00 0.00 N ATOM 415 CZ ARG A 25 -24.519 6.452 -18.859 1.00 0.00 C ATOM 416 NH1 ARG A 25 -23.438 5.942 -19.442 1.00 0.00 N ATOM 417 NH2 ARG A 25 -25.569 5.676 -18.627 1.00 0.00 N ATOM 0 H ARG A 25 -22.825 7.304 -14.421 1.00 0.00 H new ATOM 0 HA ARG A 25 -21.825 10.023 -15.072 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -24.283 8.585 -16.131 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -23.869 10.258 -16.447 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -21.830 9.577 -17.629 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -22.117 7.897 -17.223 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -23.861 9.653 -18.992 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -22.828 8.341 -19.523 1.00 0.00 H new ATOM 0 HE ARG A 25 -25.410 8.086 -18.067 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -22.628 6.535 -19.622 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -23.419 4.958 -19.709 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -26.400 6.063 -18.180 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -25.545 4.692 -18.896 1.00 0.00 H new ATOM 431 N GLN A 26 -24.086 11.006 -13.932 1.00 0.00 N ATOM 432 CA GLN A 26 -24.922 11.576 -12.877 1.00 0.00 C ATOM 433 C GLN A 26 -26.299 10.917 -12.845 1.00 0.00 C ATOM 434 O GLN A 26 -27.177 11.326 -12.084 1.00 0.00 O ATOM 435 CB GLN A 26 -25.057 13.090 -13.039 1.00 0.00 C ATOM 436 CG GLN A 26 -23.736 13.829 -12.904 1.00 0.00 C ATOM 437 CD GLN A 26 -23.910 15.329 -12.769 1.00 0.00 C ATOM 438 OE1 GLN A 26 -24.872 15.905 -13.277 1.00 0.00 O ATOM 439 NE2 GLN A 26 -22.975 15.971 -12.085 1.00 0.00 N ATOM 0 H GLN A 26 -23.979 11.599 -14.755 1.00 0.00 H new ATOM 0 HA GLN A 26 -24.429 11.377 -11.926 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -25.488 13.307 -14.016 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -25.755 13.468 -12.292 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -23.201 13.451 -12.033 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -23.116 13.617 -13.775 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -22.194 15.455 -11.680 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -23.036 16.982 -11.963 1.00 0.00 H new ATOM 448 N GLN A 27 -26.476 9.900 -13.677 1.00 0.00 N ATOM 449 CA GLN A 27 -27.672 9.071 -13.641 1.00 0.00 C ATOM 450 C GLN A 27 -27.566 8.070 -12.497 1.00 0.00 C ATOM 451 O GLN A 27 -28.554 7.456 -12.089 1.00 0.00 O ATOM 452 CB GLN A 27 -27.853 8.341 -14.971 1.00 0.00 C ATOM 453 CG GLN A 27 -28.099 9.275 -16.142 1.00 0.00 C ATOM 454 CD GLN A 27 -28.082 8.559 -17.475 1.00 0.00 C ATOM 455 OE1 GLN A 27 -27.385 7.559 -17.648 1.00 0.00 O ATOM 456 NE2 GLN A 27 -28.859 9.052 -18.425 1.00 0.00 N ATOM 0 H GLN A 27 -25.800 9.628 -14.391 1.00 0.00 H new ATOM 0 HA GLN A 27 -28.542 9.707 -13.478 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -26.964 7.743 -15.173 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -28.690 7.648 -14.886 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -29.062 9.768 -16.012 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -27.339 10.056 -16.144 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -29.422 9.883 -18.243 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -28.895 8.601 -19.339 1.00 0.00 H new ATOM 465 N GLU A 28 -26.352 7.905 -11.990 1.00 0.00 N ATOM 466 CA GLU A 28 -26.116 7.090 -10.813 1.00 0.00 C ATOM 467 C GLU A 28 -26.256 7.950 -9.565 1.00 0.00 C ATOM 468 O GLU A 28 -25.756 9.074 -9.517 1.00 0.00 O ATOM 469 CB GLU A 28 -24.721 6.447 -10.853 1.00 0.00 C ATOM 470 CG GLU A 28 -24.608 5.241 -11.778 1.00 0.00 C ATOM 471 CD GLU A 28 -24.719 5.588 -13.249 1.00 0.00 C ATOM 472 OE1 GLU A 28 -23.682 5.907 -13.867 1.00 0.00 O ATOM 473 OE2 GLU A 28 -25.835 5.514 -13.799 1.00 0.00 O ATOM 0 H GLU A 28 -25.511 8.330 -12.381 1.00 0.00 H new ATOM 0 HA GLU A 28 -26.855 6.289 -10.793 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -23.997 7.199 -11.167 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -24.446 6.142 -9.843 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -23.652 4.747 -11.602 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -25.389 4.524 -11.523 1.00 0.00 H new ATOM 480 N VAL A 29 -26.952 7.433 -8.565 1.00 0.00 N ATOM 481 CA VAL A 29 -27.162 8.175 -7.330 1.00 0.00 C ATOM 482 C VAL A 29 -25.997 7.953 -6.373 1.00 0.00 C ATOM 483 O VAL A 29 -25.655 8.827 -5.570 1.00 0.00 O ATOM 484 CB VAL A 29 -28.480 7.773 -6.636 1.00 0.00 C ATOM 485 CG1 VAL A 29 -28.713 8.633 -5.403 1.00 0.00 C ATOM 486 CG2 VAL A 29 -29.652 7.889 -7.600 1.00 0.00 C ATOM 0 H VAL A 29 -27.380 6.507 -8.583 1.00 0.00 H new ATOM 0 HA VAL A 29 -27.225 9.231 -7.595 1.00 0.00 H new ATOM 0 HB VAL A 29 -28.400 6.732 -6.321 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -29.647 8.337 -4.924 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -27.888 8.498 -4.704 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -28.772 9.681 -5.696 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -30.572 7.601 -7.091 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -29.737 8.919 -7.948 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -29.488 7.231 -8.453 1.00 0.00 H new ATOM 496 N SER A 30 -25.379 6.787 -6.471 1.00 0.00 N ATOM 497 CA SER A 30 -24.228 6.469 -5.648 1.00 0.00 C ATOM 498 C SER A 30 -22.982 6.309 -6.519 1.00 0.00 C ATOM 499 O SER A 30 -22.596 5.193 -6.870 1.00 0.00 O ATOM 500 CB SER A 30 -24.487 5.195 -4.837 1.00 0.00 C ATOM 501 OG SER A 30 -23.456 4.963 -3.889 1.00 0.00 O ATOM 0 H SER A 30 -25.657 6.046 -7.114 1.00 0.00 H new ATOM 0 HA SER A 30 -24.059 7.290 -4.951 1.00 0.00 H new ATOM 0 HB2 SER A 30 -25.444 5.279 -4.322 1.00 0.00 H new ATOM 0 HB3 SER A 30 -24.561 4.342 -5.511 1.00 0.00 H new ATOM 0 HG SER A 30 -23.651 4.144 -3.387 1.00 0.00 H new ATOM 507 N PRO A 31 -22.360 7.433 -6.917 1.00 0.00 N ATOM 508 CA PRO A 31 -21.125 7.428 -7.694 1.00 0.00 C ATOM 509 C PRO A 31 -19.914 7.256 -6.785 1.00 0.00 C ATOM 510 O PRO A 31 -18.858 6.774 -7.203 1.00 0.00 O ATOM 511 CB PRO A 31 -21.114 8.818 -8.364 1.00 0.00 C ATOM 512 CG PRO A 31 -22.375 9.503 -7.919 1.00 0.00 C ATOM 513 CD PRO A 31 -22.812 8.801 -6.671 1.00 0.00 C ATOM 0 HA PRO A 31 -21.079 6.610 -8.413 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -20.234 9.388 -8.065 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -21.082 8.727 -9.450 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -22.197 10.561 -7.729 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -23.144 9.443 -8.689 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -22.352 9.229 -5.780 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -23.891 8.855 -6.529 1.00 0.00 H new ATOM 521 N ALA A 32 -20.097 7.649 -5.531 1.00 0.00 N ATOM 522 CA ALA A 32 -19.070 7.540 -4.514 1.00 0.00 C ATOM 523 C ALA A 32 -19.678 7.757 -3.135 1.00 0.00 C ATOM 524 O ALA A 32 -19.843 8.897 -2.693 1.00 0.00 O ATOM 525 CB ALA A 32 -17.950 8.545 -4.762 1.00 0.00 C ATOM 0 H ALA A 32 -20.970 8.055 -5.193 1.00 0.00 H new ATOM 0 HA ALA A 32 -18.643 6.538 -4.561 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -17.192 8.444 -3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -17.500 8.355 -5.736 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -18.357 9.556 -4.742 1.00 0.00 H new ATOM 531 N GLY A 33 -20.070 6.663 -2.487 1.00 0.00 N ATOM 532 CA GLY A 33 -20.548 6.742 -1.118 1.00 0.00 C ATOM 533 C GLY A 33 -19.496 7.338 -0.212 1.00 0.00 C ATOM 534 O GLY A 33 -19.754 8.292 0.523 1.00 0.00 O ATOM 0 H GLY A 33 -20.065 5.724 -2.886 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -21.453 7.349 -1.079 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -20.816 5.746 -0.764 1.00 0.00 H new ATOM 538 N THR A 34 -18.303 6.774 -0.276 1.00 0.00 N ATOM 539 CA THR A 34 -17.150 7.357 0.374 1.00 0.00 C ATOM 540 C THR A 34 -16.552 8.418 -0.543 1.00 0.00 C ATOM 541 O THR A 34 -15.825 8.096 -1.483 1.00 0.00 O ATOM 542 CB THR A 34 -16.093 6.280 0.686 1.00 0.00 C ATOM 543 OG1 THR A 34 -16.730 5.137 1.277 1.00 0.00 O ATOM 544 CG2 THR A 34 -15.029 6.817 1.633 1.00 0.00 C ATOM 0 H THR A 34 -18.110 5.906 -0.776 1.00 0.00 H new ATOM 0 HA THR A 34 -17.462 7.808 1.316 1.00 0.00 H new ATOM 0 HB THR A 34 -15.609 5.993 -0.248 1.00 0.00 H new ATOM 0 HG1 THR A 34 -16.057 4.452 1.473 1.00 0.00 H new ATOM 0 HG21 THR A 34 -14.296 6.037 1.837 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.532 7.672 1.174 1.00 0.00 H new ATOM 0 HG23 THR A 34 -15.497 7.128 2.567 1.00 0.00 H new ATOM 552 N SER A 35 -16.902 9.675 -0.296 1.00 0.00 N ATOM 553 CA SER A 35 -16.464 10.774 -1.146 1.00 0.00 C ATOM 554 C SER A 35 -14.946 10.912 -1.092 1.00 0.00 C ATOM 555 O SER A 35 -14.296 11.212 -2.096 1.00 0.00 O ATOM 556 CB SER A 35 -17.140 12.080 -0.719 1.00 0.00 C ATOM 557 OG SER A 35 -16.915 13.107 -1.670 1.00 0.00 O ATOM 0 H SER A 35 -17.489 9.958 0.488 1.00 0.00 H new ATOM 0 HA SER A 35 -16.754 10.558 -2.174 1.00 0.00 H new ATOM 0 HB2 SER A 35 -18.211 11.917 -0.602 1.00 0.00 H new ATOM 0 HB3 SER A 35 -16.757 12.390 0.253 1.00 0.00 H new ATOM 0 HG SER A 35 -17.358 13.929 -1.374 1.00 0.00 H new ATOM 563 N MET A 36 -14.386 10.678 0.084 1.00 0.00 N ATOM 564 CA MET A 36 -12.945 10.679 0.247 1.00 0.00 C ATOM 565 C MET A 36 -12.415 9.258 0.122 1.00 0.00 C ATOM 566 O MET A 36 -12.177 8.581 1.123 1.00 0.00 O ATOM 567 CB MET A 36 -12.544 11.272 1.598 1.00 0.00 C ATOM 568 CG MET A 36 -12.952 12.726 1.784 1.00 0.00 C ATOM 569 SD MET A 36 -12.533 13.357 3.422 1.00 0.00 S ATOM 570 CE MET A 36 -10.752 13.152 3.417 1.00 0.00 C ATOM 0 H MET A 36 -14.909 10.485 0.938 1.00 0.00 H new ATOM 0 HA MET A 36 -12.510 11.300 -0.536 1.00 0.00 H new ATOM 0 HB2 MET A 36 -12.993 10.675 2.392 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.463 11.192 1.711 1.00 0.00 H new ATOM 0 HG2 MET A 36 -12.462 13.337 1.026 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.026 12.822 1.625 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.287 13.998 3.924 1.00 0.00 H new ATOM 0 HE2 MET A 36 -10.490 12.230 3.936 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.394 13.104 2.389 1.00 0.00 H new ATOM 580 N ARG A 37 -12.284 8.793 -1.112 1.00 0.00 N ATOM 581 CA ARG A 37 -11.754 7.464 -1.370 1.00 0.00 C ATOM 582 C ARG A 37 -10.262 7.431 -1.096 1.00 0.00 C ATOM 583 O ARG A 37 -9.475 8.074 -1.792 1.00 0.00 O ATOM 584 CB ARG A 37 -12.046 7.023 -2.806 1.00 0.00 C ATOM 585 CG ARG A 37 -13.469 6.530 -3.009 1.00 0.00 C ATOM 586 CD ARG A 37 -13.717 6.125 -4.451 1.00 0.00 C ATOM 587 NE ARG A 37 -14.996 5.433 -4.616 1.00 0.00 N ATOM 588 CZ ARG A 37 -15.807 5.600 -5.660 1.00 0.00 C ATOM 589 NH1 ARG A 37 -15.499 6.477 -6.610 1.00 0.00 N ATOM 590 NH2 ARG A 37 -16.925 4.894 -5.751 1.00 0.00 N ATOM 0 H ARG A 37 -12.538 9.317 -1.950 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.250 6.764 -0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.860 7.859 -3.480 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -11.352 6.230 -3.083 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.658 5.680 -2.354 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.171 7.314 -2.724 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.701 7.012 -5.084 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.908 5.477 -4.789 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.285 4.782 -3.886 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.641 7.024 -6.541 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.121 6.603 -7.408 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -17.165 4.223 -5.022 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.545 5.022 -6.550 1.00 0.00 H new ATOM 604 N TYR A 38 -9.885 6.692 -0.065 1.00 0.00 N ATOM 605 CA TYR A 38 -8.498 6.609 0.344 1.00 0.00 C ATOM 606 C TYR A 38 -7.756 5.587 -0.502 1.00 0.00 C ATOM 607 O TYR A 38 -8.108 4.407 -0.527 1.00 0.00 O ATOM 608 CB TYR A 38 -8.387 6.226 1.822 1.00 0.00 C ATOM 609 CG TYR A 38 -9.273 7.035 2.743 1.00 0.00 C ATOM 610 CD1 TYR A 38 -9.154 8.417 2.827 1.00 0.00 C ATOM 611 CD2 TYR A 38 -10.221 6.408 3.540 1.00 0.00 C ATOM 612 CE1 TYR A 38 -9.959 9.151 3.678 1.00 0.00 C ATOM 613 CE2 TYR A 38 -11.031 7.134 4.390 1.00 0.00 C ATOM 614 CZ TYR A 38 -10.897 8.504 4.457 1.00 0.00 C ATOM 615 OH TYR A 38 -11.695 9.227 5.316 1.00 0.00 O ATOM 0 H TYR A 38 -10.526 6.140 0.504 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.047 7.591 0.200 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.637 5.171 1.931 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.351 6.343 2.139 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.421 8.925 2.218 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -10.327 5.334 3.494 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.855 10.225 3.733 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -11.767 6.631 5.000 1.00 0.00 H new ATOM 0 HH TYR A 38 -12.301 8.619 5.789 1.00 0.00 H new ATOM 625 N GLU A 39 -6.754 6.054 -1.212 1.00 0.00 N ATOM 626 CA GLU A 39 -5.864 5.171 -1.934 1.00 0.00 C ATOM 627 C GLU A 39 -4.440 5.403 -1.463 1.00 0.00 C ATOM 628 O GLU A 39 -4.066 6.527 -1.139 1.00 0.00 O ATOM 629 CB GLU A 39 -5.952 5.398 -3.441 1.00 0.00 C ATOM 630 CG GLU A 39 -7.269 4.972 -4.064 1.00 0.00 C ATOM 631 CD GLU A 39 -7.132 4.666 -5.544 1.00 0.00 C ATOM 632 OE1 GLU A 39 -7.152 5.604 -6.363 1.00 0.00 O ATOM 633 OE2 GLU A 39 -7.014 3.474 -5.897 1.00 0.00 O ATOM 0 H GLU A 39 -6.534 7.046 -1.306 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.163 4.142 -1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.793 6.457 -3.647 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.142 4.854 -3.926 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.645 4.090 -3.546 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.007 5.762 -3.925 1.00 0.00 H new ATOM 640 N ALA A 40 -3.653 4.350 -1.412 1.00 0.00 N ATOM 641 CA ALA A 40 -2.273 4.472 -0.982 1.00 0.00 C ATOM 642 C ALA A 40 -1.334 4.055 -2.096 1.00 0.00 C ATOM 643 O ALA A 40 -1.534 3.019 -2.730 1.00 0.00 O ATOM 644 CB ALA A 40 -2.024 3.638 0.263 1.00 0.00 C ATOM 0 H ALA A 40 -3.941 3.404 -1.661 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.080 5.517 -0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.983 3.743 0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.675 3.981 1.067 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.235 2.591 0.047 1.00 0.00 H new ATOM 650 N SER A 41 -0.320 4.870 -2.337 1.00 0.00 N ATOM 651 CA SER A 41 0.668 4.559 -3.350 1.00 0.00 C ATOM 652 C SER A 41 1.864 3.857 -2.718 1.00 0.00 C ATOM 653 O SER A 41 2.474 4.364 -1.773 1.00 0.00 O ATOM 654 CB SER A 41 1.120 5.838 -4.057 1.00 0.00 C ATOM 655 OG SER A 41 0.016 6.505 -4.648 1.00 0.00 O ATOM 0 H SER A 41 -0.162 5.749 -1.845 1.00 0.00 H new ATOM 0 HA SER A 41 0.218 3.893 -4.086 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.610 6.500 -3.343 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.856 5.594 -4.823 1.00 0.00 H new ATOM 0 HG SER A 41 -0.365 5.943 -5.355 1.00 0.00 H new ATOM 661 N PHE A 42 2.171 2.682 -3.238 1.00 0.00 N ATOM 662 CA PHE A 42 3.303 1.909 -2.764 1.00 0.00 C ATOM 663 C PHE A 42 4.460 2.035 -3.743 1.00 0.00 C ATOM 664 O PHE A 42 4.386 1.572 -4.883 1.00 0.00 O ATOM 665 CB PHE A 42 2.902 0.442 -2.592 1.00 0.00 C ATOM 666 CG PHE A 42 1.782 0.250 -1.609 1.00 0.00 C ATOM 667 CD1 PHE A 42 2.027 0.274 -0.247 1.00 0.00 C ATOM 668 CD2 PHE A 42 0.483 0.051 -2.049 1.00 0.00 C ATOM 669 CE1 PHE A 42 0.999 0.109 0.659 1.00 0.00 C ATOM 670 CE2 PHE A 42 -0.550 -0.117 -1.147 1.00 0.00 C ATOM 671 CZ PHE A 42 -0.291 -0.088 0.210 1.00 0.00 C ATOM 0 H PHE A 42 1.647 2.241 -3.994 1.00 0.00 H new ATOM 0 HA PHE A 42 3.621 2.296 -1.796 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.603 0.037 -3.559 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.769 -0.130 -2.262 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.035 0.424 0.111 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.276 0.027 -3.109 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.204 0.134 1.719 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.558 -0.271 -1.502 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.096 -0.219 0.918 1.00 0.00 H new ATOM 681 N LYS A 43 5.511 2.693 -3.286 1.00 0.00 N ATOM 682 CA LYS A 43 6.667 2.991 -4.113 1.00 0.00 C ATOM 683 C LYS A 43 7.787 1.989 -3.842 1.00 0.00 C ATOM 684 O LYS A 43 8.292 1.906 -2.724 1.00 0.00 O ATOM 685 CB LYS A 43 7.132 4.415 -3.815 1.00 0.00 C ATOM 686 CG LYS A 43 8.229 4.932 -4.728 1.00 0.00 C ATOM 687 CD LYS A 43 8.537 6.386 -4.418 1.00 0.00 C ATOM 688 CE LYS A 43 9.589 6.953 -5.351 1.00 0.00 C ATOM 689 NZ LYS A 43 9.829 8.394 -5.089 1.00 0.00 N ATOM 0 H LYS A 43 5.587 3.037 -2.329 1.00 0.00 H new ATOM 0 HA LYS A 43 6.397 2.912 -5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.275 5.084 -3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.486 4.458 -2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.128 4.329 -4.603 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.921 4.833 -5.769 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.624 6.976 -4.499 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.881 6.472 -3.387 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.520 6.400 -5.230 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.271 6.818 -6.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.554 8.750 -5.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.945 8.924 -5.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.156 8.519 -4.110 1.00 0.00 H new ATOM 703 N PRO A 44 8.179 1.208 -4.861 1.00 0.00 N ATOM 704 CA PRO A 44 9.214 0.176 -4.721 1.00 0.00 C ATOM 705 C PRO A 44 10.574 0.758 -4.338 1.00 0.00 C ATOM 706 O PRO A 44 11.008 1.770 -4.893 1.00 0.00 O ATOM 707 CB PRO A 44 9.278 -0.472 -6.111 1.00 0.00 C ATOM 708 CG PRO A 44 8.005 -0.083 -6.781 1.00 0.00 C ATOM 709 CD PRO A 44 7.648 1.267 -6.229 1.00 0.00 C ATOM 0 HA PRO A 44 8.973 -0.527 -3.924 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.143 -0.117 -6.672 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.369 -1.556 -6.037 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.129 -0.043 -7.863 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.218 -0.809 -6.577 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.102 2.073 -6.805 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.571 1.436 -6.238 1.00 0.00 H new ATOM 717 N LEU A 45 11.239 0.102 -3.392 1.00 0.00 N ATOM 718 CA LEU A 45 12.536 0.556 -2.895 1.00 0.00 C ATOM 719 C LEU A 45 13.602 0.538 -3.988 1.00 0.00 C ATOM 720 O LEU A 45 14.485 1.394 -4.016 1.00 0.00 O ATOM 721 CB LEU A 45 12.979 -0.314 -1.717 1.00 0.00 C ATOM 722 CG LEU A 45 12.145 -0.151 -0.446 1.00 0.00 C ATOM 723 CD1 LEU A 45 12.524 -1.201 0.583 1.00 0.00 C ATOM 724 CD2 LEU A 45 12.330 1.242 0.131 1.00 0.00 C ATOM 0 H LEU A 45 10.899 -0.752 -2.951 1.00 0.00 H new ATOM 0 HA LEU A 45 12.420 1.588 -2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.946 -1.359 -2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.018 -0.083 -1.484 1.00 0.00 H new ATOM 0 HG LEU A 45 11.095 -0.287 -0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.919 -1.067 1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.347 -2.195 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.579 -1.096 0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.730 1.344 1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.381 1.399 0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.011 1.984 -0.601 1.00 0.00 H new ATOM 736 N ASN A 46 13.510 -0.423 -4.897 1.00 0.00 N ATOM 737 CA ASN A 46 14.493 -0.546 -5.971 1.00 0.00 C ATOM 738 C ASN A 46 14.033 0.182 -7.223 1.00 0.00 C ATOM 739 O ASN A 46 14.550 -0.046 -8.318 1.00 0.00 O ATOM 740 CB ASN A 46 14.781 -2.020 -6.287 1.00 0.00 C ATOM 741 CG ASN A 46 13.535 -2.805 -6.656 1.00 0.00 C ATOM 742 OD1 ASN A 46 12.866 -3.370 -5.787 1.00 0.00 O ATOM 743 ND2 ASN A 46 13.211 -2.857 -7.939 1.00 0.00 N ATOM 0 H ASN A 46 12.771 -1.126 -4.915 1.00 0.00 H new ATOM 0 HA ASN A 46 15.416 -0.081 -5.626 1.00 0.00 H new ATOM 0 HB2 ASN A 46 15.495 -2.076 -7.109 1.00 0.00 H new ATOM 0 HB3 ASN A 46 15.253 -2.485 -5.422 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.385 -3.376 -8.236 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.788 -2.378 -8.630 1.00 0.00 H new ATOM 750 N GLY A 47 13.091 1.085 -7.040 1.00 0.00 N ATOM 751 CA GLY A 47 12.559 1.848 -8.151 1.00 0.00 C ATOM 752 C GLY A 47 11.343 1.197 -8.776 1.00 0.00 C ATOM 753 O GLY A 47 11.219 -0.031 -8.786 1.00 0.00 O ATOM 0 H GLY A 47 12.679 1.308 -6.134 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.294 2.848 -7.807 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.333 1.966 -8.909 1.00 0.00 H new ATOM 757 N GLY A 48 10.440 2.016 -9.290 1.00 0.00 N ATOM 758 CA GLY A 48 9.246 1.503 -9.928 1.00 0.00 C ATOM 759 C GLY A 48 8.077 2.453 -9.794 1.00 0.00 C ATOM 760 O GLY A 48 8.132 3.400 -9.008 1.00 0.00 O ATOM 0 H GLY A 48 10.513 3.033 -9.277 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.448 1.324 -10.984 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.984 0.542 -9.486 1.00 0.00 H new ATOM 764 N LEU A 49 7.024 2.203 -10.561 1.00 0.00 N ATOM 765 CA LEU A 49 5.832 3.039 -10.533 1.00 0.00 C ATOM 766 C LEU A 49 5.118 2.912 -9.190 1.00 0.00 C ATOM 767 O LEU A 49 5.045 1.819 -8.617 1.00 0.00 O ATOM 768 CB LEU A 49 4.883 2.637 -11.670 1.00 0.00 C ATOM 769 CG LEU A 49 3.630 3.504 -11.830 1.00 0.00 C ATOM 770 CD1 LEU A 49 3.996 4.891 -12.337 1.00 0.00 C ATOM 771 CD2 LEU A 49 2.637 2.838 -12.769 1.00 0.00 C ATOM 0 H LEU A 49 6.972 1.422 -11.215 1.00 0.00 H new ATOM 0 HA LEU A 49 6.134 4.077 -10.668 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.439 2.659 -12.607 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.570 1.605 -11.509 1.00 0.00 H new ATOM 0 HG LEU A 49 3.162 3.611 -10.852 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.092 5.490 -12.443 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.668 5.372 -11.627 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.491 4.806 -13.305 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.753 3.468 -12.871 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.098 2.699 -13.747 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.347 1.869 -12.364 1.00 0.00 H new ATOM 783 N GLU A 50 4.615 4.031 -8.685 1.00 0.00 N ATOM 784 CA GLU A 50 3.854 4.033 -7.444 1.00 0.00 C ATOM 785 C GLU A 50 2.522 3.322 -7.642 1.00 0.00 C ATOM 786 O GLU A 50 1.657 3.785 -8.390 1.00 0.00 O ATOM 787 CB GLU A 50 3.621 5.462 -6.953 1.00 0.00 C ATOM 788 CG GLU A 50 4.896 6.176 -6.537 1.00 0.00 C ATOM 789 CD GLU A 50 4.642 7.599 -6.090 1.00 0.00 C ATOM 790 OE1 GLU A 50 4.128 7.791 -4.968 1.00 0.00 O ATOM 791 OE2 GLU A 50 4.958 8.534 -6.855 1.00 0.00 O ATOM 0 H GLU A 50 4.721 4.949 -9.117 1.00 0.00 H new ATOM 0 HA GLU A 50 4.431 3.500 -6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.135 6.034 -7.743 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.934 5.439 -6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.371 5.623 -5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.596 6.180 -7.373 1.00 0.00 H new ATOM 798 N LYS A 51 2.373 2.190 -6.975 1.00 0.00 N ATOM 799 CA LYS A 51 1.168 1.384 -7.087 1.00 0.00 C ATOM 800 C LYS A 51 0.093 1.904 -6.147 1.00 0.00 C ATOM 801 O LYS A 51 0.221 1.803 -4.931 1.00 0.00 O ATOM 802 CB LYS A 51 1.491 -0.073 -6.765 1.00 0.00 C ATOM 803 CG LYS A 51 2.501 -0.687 -7.716 1.00 0.00 C ATOM 804 CD LYS A 51 3.023 -2.014 -7.196 1.00 0.00 C ATOM 805 CE LYS A 51 4.067 -2.603 -8.129 1.00 0.00 C ATOM 806 NZ LYS A 51 5.115 -1.609 -8.486 1.00 0.00 N ATOM 0 H LYS A 51 3.077 1.806 -6.345 1.00 0.00 H new ATOM 0 HA LYS A 51 0.793 1.449 -8.108 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.875 -0.136 -5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.571 -0.657 -6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.039 -0.834 -8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.334 0.002 -7.858 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.456 -1.873 -6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.195 -2.714 -7.086 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.532 -3.467 -7.654 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.582 -2.961 -9.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.963 -2.106 -8.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.758 -0.982 -9.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.357 -1.044 -7.647 1.00 0.00 H new ATOM 820 N THR A 52 -0.954 2.472 -6.716 1.00 0.00 N ATOM 821 CA THR A 52 -2.034 3.038 -5.931 1.00 0.00 C ATOM 822 C THR A 52 -3.189 2.044 -5.827 1.00 0.00 C ATOM 823 O THR A 52 -3.747 1.619 -6.842 1.00 0.00 O ATOM 824 CB THR A 52 -2.514 4.360 -6.565 1.00 0.00 C ATOM 825 OG1 THR A 52 -1.396 5.242 -6.741 1.00 0.00 O ATOM 826 CG2 THR A 52 -3.561 5.046 -5.706 1.00 0.00 C ATOM 0 H THR A 52 -1.079 2.554 -7.725 1.00 0.00 H new ATOM 0 HA THR A 52 -1.667 3.247 -4.926 1.00 0.00 H new ATOM 0 HB THR A 52 -2.966 4.124 -7.528 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.702 6.081 -7.145 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.874 5.973 -6.185 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.423 4.389 -5.589 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.139 5.269 -4.726 1.00 0.00 H new ATOM 834 N PHE A 53 -3.513 1.648 -4.601 1.00 0.00 N ATOM 835 CA PHE A 53 -4.579 0.680 -4.363 1.00 0.00 C ATOM 836 C PHE A 53 -5.630 1.247 -3.416 1.00 0.00 C ATOM 837 O PHE A 53 -5.358 2.183 -2.661 1.00 0.00 O ATOM 838 CB PHE A 53 -4.011 -0.617 -3.778 1.00 0.00 C ATOM 839 CG PHE A 53 -3.023 -1.312 -4.674 1.00 0.00 C ATOM 840 CD1 PHE A 53 -3.413 -1.804 -5.908 1.00 0.00 C ATOM 841 CD2 PHE A 53 -1.707 -1.470 -4.279 1.00 0.00 C ATOM 842 CE1 PHE A 53 -2.506 -2.446 -6.730 1.00 0.00 C ATOM 843 CE2 PHE A 53 -0.796 -2.111 -5.095 1.00 0.00 C ATOM 844 CZ PHE A 53 -1.197 -2.598 -6.324 1.00 0.00 C ATOM 0 H PHE A 53 -3.052 1.983 -3.755 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.049 0.465 -5.323 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.528 -0.393 -2.827 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.835 -1.299 -3.565 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.436 -1.685 -6.232 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.388 -1.087 -3.321 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.822 -2.828 -7.689 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.228 -2.231 -4.773 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.486 -3.097 -6.966 1.00 0.00 H new ATOM 854 N ARG A 54 -6.822 0.654 -3.450 1.00 0.00 N ATOM 855 CA ARG A 54 -7.938 1.098 -2.620 1.00 0.00 C ATOM 856 C ARG A 54 -7.755 0.618 -1.185 1.00 0.00 C ATOM 857 O ARG A 54 -7.549 -0.574 -0.948 1.00 0.00 O ATOM 858 CB ARG A 54 -9.259 0.548 -3.173 1.00 0.00 C ATOM 859 CG ARG A 54 -9.510 0.904 -4.627 1.00 0.00 C ATOM 860 CD ARG A 54 -9.963 2.344 -4.788 1.00 0.00 C ATOM 861 NE ARG A 54 -9.569 2.884 -6.086 1.00 0.00 N ATOM 862 CZ ARG A 54 -10.403 3.140 -7.088 1.00 0.00 C ATOM 863 NH1 ARG A 54 -11.703 2.903 -6.965 1.00 0.00 N ATOM 864 NH2 ARG A 54 -9.930 3.643 -8.221 1.00 0.00 N ATOM 0 H ARG A 54 -7.040 -0.142 -4.049 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.964 2.188 -2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.262 -0.537 -3.069 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.082 0.929 -2.568 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -8.598 0.744 -5.202 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.268 0.237 -5.038 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.046 2.400 -4.682 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.533 2.953 -3.993 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.579 3.079 -6.235 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.071 2.520 -6.094 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.334 3.104 -7.741 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.932 3.831 -8.318 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.564 3.842 -8.995 1.00 0.00 H new ATOM 878 N LEU A 55 -7.827 1.541 -0.236 1.00 0.00 N ATOM 879 CA LEU A 55 -7.692 1.198 1.172 1.00 0.00 C ATOM 880 C LEU A 55 -8.758 1.892 2.006 1.00 0.00 C ATOM 881 O LEU A 55 -9.000 3.086 1.857 1.00 0.00 O ATOM 882 CB LEU A 55 -6.303 1.576 1.695 1.00 0.00 C ATOM 883 CG LEU A 55 -5.161 0.666 1.235 1.00 0.00 C ATOM 884 CD1 LEU A 55 -3.844 1.121 1.840 1.00 0.00 C ATOM 885 CD2 LEU A 55 -5.443 -0.780 1.615 1.00 0.00 C ATOM 0 H LEU A 55 -7.978 2.534 -0.416 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.822 0.119 1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.081 2.596 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.330 1.575 2.785 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.087 0.731 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.042 0.464 1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.632 2.143 1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.911 1.084 2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.620 -1.411 1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.543 -0.859 2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.368 -1.107 1.140 1.00 0.00 H new ATOM 897 N GLN A 56 -9.405 1.135 2.875 1.00 0.00 N ATOM 898 CA GLN A 56 -10.380 1.702 3.794 1.00 0.00 C ATOM 899 C GLN A 56 -9.682 2.213 5.047 1.00 0.00 C ATOM 900 O GLN A 56 -8.520 1.886 5.291 1.00 0.00 O ATOM 901 CB GLN A 56 -11.439 0.664 4.168 1.00 0.00 C ATOM 902 CG GLN A 56 -12.287 0.205 2.992 1.00 0.00 C ATOM 903 CD GLN A 56 -13.365 -0.778 3.401 1.00 0.00 C ATOM 904 OE1 GLN A 56 -13.198 -1.546 4.347 1.00 0.00 O ATOM 905 NE2 GLN A 56 -14.481 -0.759 2.691 1.00 0.00 N ATOM 0 H GLN A 56 -9.274 0.127 2.965 1.00 0.00 H new ATOM 0 HA GLN A 56 -10.876 2.536 3.298 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.946 -0.202 4.609 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.092 1.083 4.934 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -12.751 1.073 2.522 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -11.644 -0.257 2.243 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -14.580 -0.106 1.914 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -15.243 -1.397 2.921 1.00 0.00 H new ATOM 914 N ALA A 57 -10.396 3.000 5.846 1.00 0.00 N ATOM 915 CA ALA A 57 -9.835 3.567 7.070 1.00 0.00 C ATOM 916 C ALA A 57 -9.365 2.468 8.020 1.00 0.00 C ATOM 917 O ALA A 57 -8.317 2.585 8.652 1.00 0.00 O ATOM 918 CB ALA A 57 -10.859 4.459 7.757 1.00 0.00 C ATOM 0 H ALA A 57 -11.366 3.261 5.668 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.969 4.170 6.797 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -10.427 4.874 8.667 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.143 5.270 7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.742 3.872 8.009 1.00 0.00 H new ATOM 924 N GLN A 58 -10.143 1.395 8.098 1.00 0.00 N ATOM 925 CA GLN A 58 -9.803 0.253 8.939 1.00 0.00 C ATOM 926 C GLN A 58 -8.508 -0.403 8.463 1.00 0.00 C ATOM 927 O GLN A 58 -7.702 -0.871 9.267 1.00 0.00 O ATOM 928 CB GLN A 58 -10.949 -0.762 8.921 1.00 0.00 C ATOM 929 CG GLN A 58 -10.708 -1.989 9.786 1.00 0.00 C ATOM 930 CD GLN A 58 -11.909 -2.912 9.823 1.00 0.00 C ATOM 931 OE1 GLN A 58 -13.054 -2.466 9.712 1.00 0.00 O ATOM 932 NE2 GLN A 58 -11.663 -4.204 9.970 1.00 0.00 N ATOM 0 H GLN A 58 -11.019 1.292 7.586 1.00 0.00 H new ATOM 0 HA GLN A 58 -9.651 0.604 9.960 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.862 -0.269 9.256 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -11.119 -1.083 7.893 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -9.845 -2.535 9.406 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -10.464 -1.673 10.800 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -10.702 -4.533 10.059 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -12.435 -4.871 9.995 1.00 0.00 H new ATOM 941 N GLN A 59 -8.309 -0.415 7.154 1.00 0.00 N ATOM 942 CA GLN A 59 -7.123 -1.016 6.564 1.00 0.00 C ATOM 943 C GLN A 59 -5.918 -0.098 6.724 1.00 0.00 C ATOM 944 O GLN A 59 -4.856 -0.531 7.168 1.00 0.00 O ATOM 945 CB GLN A 59 -7.367 -1.317 5.087 1.00 0.00 C ATOM 946 CG GLN A 59 -8.390 -2.414 4.855 1.00 0.00 C ATOM 947 CD GLN A 59 -8.759 -2.566 3.394 1.00 0.00 C ATOM 948 OE1 GLN A 59 -8.776 -1.592 2.642 1.00 0.00 O ATOM 949 NE2 GLN A 59 -9.040 -3.788 2.980 1.00 0.00 N ATOM 0 H GLN A 59 -8.957 -0.013 6.477 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.913 -1.950 7.085 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.702 -0.407 4.589 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.424 -1.606 4.622 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.994 -3.359 5.226 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.289 -2.196 5.432 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.014 -4.568 3.637 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.283 -3.952 2.003 1.00 0.00 H new ATOM 958 N TYR A 60 -6.103 1.175 6.389 1.00 0.00 N ATOM 959 CA TYR A 60 -5.028 2.162 6.471 1.00 0.00 C ATOM 960 C TYR A 60 -4.532 2.321 7.908 1.00 0.00 C ATOM 961 O TYR A 60 -3.394 2.716 8.138 1.00 0.00 O ATOM 962 CB TYR A 60 -5.499 3.509 5.914 1.00 0.00 C ATOM 963 CG TYR A 60 -4.470 4.610 6.049 1.00 0.00 C ATOM 964 CD1 TYR A 60 -3.317 4.614 5.271 1.00 0.00 C ATOM 965 CD2 TYR A 60 -4.648 5.638 6.965 1.00 0.00 C ATOM 966 CE1 TYR A 60 -2.372 5.613 5.405 1.00 0.00 C ATOM 967 CE2 TYR A 60 -3.709 6.641 7.101 1.00 0.00 C ATOM 968 CZ TYR A 60 -2.573 6.623 6.322 1.00 0.00 C ATOM 969 OH TYR A 60 -1.637 7.623 6.461 1.00 0.00 O ATOM 0 H TYR A 60 -6.991 1.550 6.056 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.194 1.804 5.867 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.755 3.389 4.861 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.410 3.809 6.431 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -3.158 3.824 4.551 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.535 5.653 7.581 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.481 5.603 4.795 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.864 7.436 7.815 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.933 8.255 7.149 1.00 0.00 H new ATOM 979 N HIS A 61 -5.388 1.988 8.866 1.00 0.00 N ATOM 980 CA HIS A 61 -5.039 2.042 10.287 1.00 0.00 C ATOM 981 C HIS A 61 -3.789 1.201 10.590 1.00 0.00 C ATOM 982 O HIS A 61 -3.108 1.429 11.589 1.00 0.00 O ATOM 983 CB HIS A 61 -6.241 1.554 11.119 1.00 0.00 C ATOM 984 CG HIS A 61 -6.008 1.479 12.605 1.00 0.00 C ATOM 985 ND1 HIS A 61 -6.492 2.410 13.499 1.00 0.00 N ATOM 986 CD2 HIS A 61 -5.365 0.551 13.351 1.00 0.00 C ATOM 987 CE1 HIS A 61 -6.152 2.057 14.726 1.00 0.00 C ATOM 988 NE2 HIS A 61 -5.468 0.929 14.665 1.00 0.00 N ATOM 0 H HIS A 61 -6.341 1.674 8.685 1.00 0.00 H new ATOM 0 HA HIS A 61 -4.805 3.072 10.554 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.084 2.219 10.933 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.531 0.565 10.763 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.861 -0.329 12.979 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.393 2.600 15.628 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -5.081 0.424 15.462 1.00 0.00 H new ATOM 997 N ALA A 62 -3.482 0.246 9.718 1.00 0.00 N ATOM 998 CA ALA A 62 -2.389 -0.685 9.965 1.00 0.00 C ATOM 999 C ALA A 62 -1.063 -0.212 9.363 1.00 0.00 C ATOM 1000 O ALA A 62 -0.025 -0.832 9.597 1.00 0.00 O ATOM 1001 CB ALA A 62 -2.746 -2.063 9.429 1.00 0.00 C ATOM 0 H ALA A 62 -3.974 0.097 8.837 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.249 -0.735 11.045 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.923 -2.752 9.618 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.645 -2.426 9.928 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.927 -2.000 8.356 1.00 0.00 H new ATOM 1007 N LEU A 63 -1.085 0.874 8.597 1.00 0.00 N ATOM 1008 CA LEU A 63 0.132 1.364 7.954 1.00 0.00 C ATOM 1009 C LEU A 63 0.239 2.882 8.043 1.00 0.00 C ATOM 1010 O LEU A 63 -0.759 3.582 8.197 1.00 0.00 O ATOM 1011 CB LEU A 63 0.213 0.919 6.485 1.00 0.00 C ATOM 1012 CG LEU A 63 -0.948 1.353 5.580 1.00 0.00 C ATOM 1013 CD1 LEU A 63 -0.489 1.427 4.133 1.00 0.00 C ATOM 1014 CD2 LEU A 63 -2.112 0.381 5.697 1.00 0.00 C ATOM 0 H LEU A 63 -1.921 1.427 8.407 1.00 0.00 H new ATOM 0 HA LEU A 63 0.971 0.926 8.494 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.140 1.304 6.061 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.279 -0.169 6.460 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.279 2.340 5.903 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.323 1.736 3.502 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.321 2.151 4.045 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.136 0.447 3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.925 0.707 5.048 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.786 -0.615 5.398 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.461 0.354 6.729 1.00 0.00 H new ATOM 1026 N THR A 64 1.462 3.384 7.949 1.00 0.00 N ATOM 1027 CA THR A 64 1.712 4.813 8.044 1.00 0.00 C ATOM 1028 C THR A 64 2.440 5.316 6.796 1.00 0.00 C ATOM 1029 O THR A 64 3.236 4.589 6.203 1.00 0.00 O ATOM 1030 CB THR A 64 2.557 5.129 9.295 1.00 0.00 C ATOM 1031 OG1 THR A 64 2.005 4.459 10.435 1.00 0.00 O ATOM 1032 CG2 THR A 64 2.606 6.626 9.565 1.00 0.00 C ATOM 0 H THR A 64 2.299 2.819 7.806 1.00 0.00 H new ATOM 0 HA THR A 64 0.750 5.320 8.123 1.00 0.00 H new ATOM 0 HB THR A 64 3.573 4.778 9.112 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.546 4.661 11.227 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.209 6.816 10.453 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.049 7.136 8.710 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.595 7.000 9.726 1.00 0.00 H new ATOM 1040 N VAL A 65 2.154 6.546 6.391 1.00 0.00 N ATOM 1041 CA VAL A 65 2.878 7.169 5.290 1.00 0.00 C ATOM 1042 C VAL A 65 4.349 7.346 5.659 1.00 0.00 C ATOM 1043 O VAL A 65 4.676 7.957 6.676 1.00 0.00 O ATOM 1044 CB VAL A 65 2.257 8.531 4.900 1.00 0.00 C ATOM 1045 CG1 VAL A 65 3.186 9.326 3.995 1.00 0.00 C ATOM 1046 CG2 VAL A 65 0.920 8.313 4.212 1.00 0.00 C ATOM 0 H VAL A 65 1.429 7.131 6.806 1.00 0.00 H new ATOM 0 HA VAL A 65 2.802 6.509 4.426 1.00 0.00 H new ATOM 0 HB VAL A 65 2.105 9.106 5.813 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.719 10.277 3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.127 9.511 4.512 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.378 8.760 3.083 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.489 9.277 3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.067 7.715 3.313 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.244 7.791 4.889 1.00 0.00 H new ATOM 1056 N GLY A 66 5.223 6.788 4.834 1.00 0.00 N ATOM 1057 CA GLY A 66 6.643 6.812 5.117 1.00 0.00 C ATOM 1058 C GLY A 66 7.119 5.507 5.720 1.00 0.00 C ATOM 1059 O GLY A 66 8.314 5.194 5.703 1.00 0.00 O ATOM 0 H GLY A 66 4.971 6.315 3.966 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.194 7.009 4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.863 7.631 5.802 1.00 0.00 H new ATOM 1063 N ASP A 67 6.182 4.726 6.236 1.00 0.00 N ATOM 1064 CA ASP A 67 6.522 3.469 6.881 1.00 0.00 C ATOM 1065 C ASP A 67 6.831 2.409 5.836 1.00 0.00 C ATOM 1066 O ASP A 67 5.931 1.783 5.279 1.00 0.00 O ATOM 1067 CB ASP A 67 5.390 3.005 7.799 1.00 0.00 C ATOM 1068 CG ASP A 67 5.797 1.840 8.681 1.00 0.00 C ATOM 1069 OD1 ASP A 67 6.879 1.914 9.301 1.00 0.00 O ATOM 1070 OD2 ASP A 67 5.018 0.872 8.802 1.00 0.00 O ATOM 0 H ASP A 67 5.185 4.940 6.221 1.00 0.00 H new ATOM 0 HA ASP A 67 7.410 3.625 7.493 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.071 3.837 8.426 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.531 2.715 7.193 1.00 0.00 H new ATOM 1075 N GLN A 68 8.111 2.270 5.528 1.00 0.00 N ATOM 1076 CA GLN A 68 8.570 1.249 4.596 1.00 0.00 C ATOM 1077 C GLN A 68 8.305 -0.143 5.163 1.00 0.00 C ATOM 1078 O GLN A 68 8.637 -0.426 6.319 1.00 0.00 O ATOM 1079 CB GLN A 68 10.065 1.422 4.309 1.00 0.00 C ATOM 1080 CG GLN A 68 10.440 2.825 3.861 1.00 0.00 C ATOM 1081 CD GLN A 68 11.913 2.966 3.526 1.00 0.00 C ATOM 1082 OE1 GLN A 68 12.764 2.273 4.086 1.00 0.00 O ATOM 1083 NE2 GLN A 68 12.225 3.870 2.612 1.00 0.00 N ATOM 0 H GLN A 68 8.854 2.854 5.911 1.00 0.00 H new ATOM 0 HA GLN A 68 8.018 1.360 3.663 1.00 0.00 H new ATOM 0 HB2 GLN A 68 10.630 1.173 5.207 1.00 0.00 H new ATOM 0 HB3 GLN A 68 10.363 0.712 3.538 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.847 3.092 2.986 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.183 3.533 4.649 1.00 0.00 H new ATOM 0 HE21 GLN A 68 11.491 4.424 2.171 1.00 0.00 H new ATOM 0 HE22 GLN A 68 13.200 4.013 2.348 1.00 0.00 H new ATOM 1092 N GLY A 69 7.724 -1.007 4.347 1.00 0.00 N ATOM 1093 CA GLY A 69 7.376 -2.336 4.802 1.00 0.00 C ATOM 1094 C GLY A 69 7.154 -3.290 3.649 1.00 0.00 C ATOM 1095 O GLY A 69 7.347 -2.921 2.491 1.00 0.00 O ATOM 0 H GLY A 69 7.486 -0.811 3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.171 -2.720 5.442 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.473 -2.286 5.410 1.00 0.00 H new ATOM 1099 N THR A 70 6.737 -4.505 3.959 1.00 0.00 N ATOM 1100 CA THR A 70 6.616 -5.550 2.951 1.00 0.00 C ATOM 1101 C THR A 70 5.219 -5.543 2.330 1.00 0.00 C ATOM 1102 O THR A 70 4.230 -5.310 3.018 1.00 0.00 O ATOM 1103 CB THR A 70 6.906 -6.933 3.575 1.00 0.00 C ATOM 1104 OG1 THR A 70 8.126 -6.879 4.331 1.00 0.00 O ATOM 1105 CG2 THR A 70 7.023 -8.008 2.503 1.00 0.00 C ATOM 0 H THR A 70 6.476 -4.795 4.901 1.00 0.00 H new ATOM 0 HA THR A 70 7.347 -5.353 2.167 1.00 0.00 H new ATOM 0 HB THR A 70 6.074 -7.189 4.231 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.305 -7.758 4.726 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.227 -8.970 2.973 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.089 -8.068 1.945 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.837 -7.757 1.823 1.00 0.00 H new ATOM 1113 N LEU A 71 5.136 -5.787 1.029 1.00 0.00 N ATOM 1114 CA LEU A 71 3.853 -5.807 0.343 1.00 0.00 C ATOM 1115 C LEU A 71 3.568 -7.188 -0.239 1.00 0.00 C ATOM 1116 O LEU A 71 4.334 -7.703 -1.050 1.00 0.00 O ATOM 1117 CB LEU A 71 3.827 -4.750 -0.766 1.00 0.00 C ATOM 1118 CG LEU A 71 2.506 -4.630 -1.529 1.00 0.00 C ATOM 1119 CD1 LEU A 71 1.383 -4.216 -0.592 1.00 0.00 C ATOM 1120 CD2 LEU A 71 2.644 -3.636 -2.673 1.00 0.00 C ATOM 0 H LEU A 71 5.940 -5.973 0.430 1.00 0.00 H new ATOM 0 HA LEU A 71 3.075 -5.576 1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.062 -3.781 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.619 -4.977 -1.479 1.00 0.00 H new ATOM 0 HG LEU A 71 2.258 -5.606 -1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.452 -4.136 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.270 -4.963 0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.620 -3.251 -0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.696 -3.561 -3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.914 -2.658 -2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.420 -3.976 -3.358 1.00 0.00 H new ATOM 1132 N SER A 72 2.466 -7.775 0.200 1.00 0.00 N ATOM 1133 CA SER A 72 2.010 -9.072 -0.282 1.00 0.00 C ATOM 1134 C SER A 72 1.050 -8.873 -1.452 1.00 0.00 C ATOM 1135 O SER A 72 -0.070 -8.379 -1.272 1.00 0.00 O ATOM 1136 CB SER A 72 1.309 -9.809 0.865 1.00 0.00 C ATOM 1137 OG SER A 72 0.842 -11.078 0.461 1.00 0.00 O ATOM 0 H SER A 72 1.857 -7.363 0.907 1.00 0.00 H new ATOM 0 HA SER A 72 2.858 -9.664 -0.625 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.000 -9.924 1.700 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.472 -9.211 1.225 1.00 0.00 H new ATOM 0 HG SER A 72 0.267 -11.453 1.161 1.00 0.00 H new ATOM 1143 N TYR A 73 1.491 -9.220 -2.653 1.00 0.00 N ATOM 1144 CA TYR A 73 0.659 -9.051 -3.833 1.00 0.00 C ATOM 1145 C TYR A 73 0.867 -10.191 -4.820 1.00 0.00 C ATOM 1146 O TYR A 73 1.817 -10.970 -4.705 1.00 0.00 O ATOM 1147 CB TYR A 73 0.954 -7.707 -4.518 1.00 0.00 C ATOM 1148 CG TYR A 73 2.371 -7.574 -5.043 1.00 0.00 C ATOM 1149 CD1 TYR A 73 2.729 -8.102 -6.280 1.00 0.00 C ATOM 1150 CD2 TYR A 73 3.349 -6.923 -4.304 1.00 0.00 C ATOM 1151 CE1 TYR A 73 4.018 -7.986 -6.760 1.00 0.00 C ATOM 1152 CE2 TYR A 73 4.641 -6.803 -4.779 1.00 0.00 C ATOM 1153 CZ TYR A 73 4.971 -7.338 -6.007 1.00 0.00 C ATOM 1154 OH TYR A 73 6.259 -7.225 -6.484 1.00 0.00 O ATOM 0 H TYR A 73 2.413 -9.617 -2.834 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.381 -9.062 -3.507 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.258 -7.574 -5.346 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.764 -6.901 -3.809 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.985 -8.611 -6.875 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.096 -6.503 -3.342 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.278 -8.402 -7.722 1.00 0.00 H new ATOM 0 HE2 TYR A 73 5.389 -6.292 -4.191 1.00 0.00 H new ATOM 0 HH TYR A 73 6.551 -6.292 -6.419 1.00 0.00 H new ATOM 1164 N LYS A 74 -0.035 -10.285 -5.782 1.00 0.00 N ATOM 1165 CA LYS A 74 0.106 -11.215 -6.891 1.00 0.00 C ATOM 1166 C LYS A 74 -0.160 -10.472 -8.192 1.00 0.00 C ATOM 1167 O LYS A 74 -1.300 -10.391 -8.654 1.00 0.00 O ATOM 1168 CB LYS A 74 -0.852 -12.400 -6.743 1.00 0.00 C ATOM 1169 CG LYS A 74 -0.577 -13.259 -5.519 1.00 0.00 C ATOM 1170 CD LYS A 74 -1.595 -14.378 -5.383 1.00 0.00 C ATOM 1171 CE LYS A 74 -1.323 -15.231 -4.154 1.00 0.00 C ATOM 1172 NZ LYS A 74 -2.345 -16.295 -3.986 1.00 0.00 N ATOM 0 H LYS A 74 -0.884 -9.721 -5.817 1.00 0.00 H new ATOM 0 HA LYS A 74 1.120 -11.615 -6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.874 -12.025 -6.691 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.786 -13.023 -7.635 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.424 -13.684 -5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.598 -12.637 -4.624 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.597 -13.954 -5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.570 -15.004 -6.275 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.336 -15.685 -4.238 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.308 -14.597 -3.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.126 -16.856 -3.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.284 -15.861 -3.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.341 -16.915 -4.821 1.00 0.00 H new ATOM 1186 N GLY A 75 0.888 -9.896 -8.759 1.00 0.00 N ATOM 1187 CA GLY A 75 0.719 -9.032 -9.907 1.00 0.00 C ATOM 1188 C GLY A 75 0.259 -7.658 -9.476 1.00 0.00 C ATOM 1189 O GLY A 75 0.990 -6.938 -8.797 1.00 0.00 O ATOM 0 H GLY A 75 1.852 -10.011 -8.445 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.660 -8.952 -10.451 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.009 -9.467 -10.592 1.00 0.00 H new ATOM 1193 N THR A 76 -0.952 -7.293 -9.858 1.00 0.00 N ATOM 1194 CA THR A 76 -1.547 -6.050 -9.399 1.00 0.00 C ATOM 1195 C THR A 76 -2.618 -6.328 -8.350 1.00 0.00 C ATOM 1196 O THR A 76 -3.289 -5.415 -7.866 1.00 0.00 O ATOM 1197 CB THR A 76 -2.147 -5.257 -10.571 1.00 0.00 C ATOM 1198 OG1 THR A 76 -2.869 -6.144 -11.437 1.00 0.00 O ATOM 1199 CG2 THR A 76 -1.059 -4.542 -11.355 1.00 0.00 C ATOM 0 H THR A 76 -1.543 -7.839 -10.485 1.00 0.00 H new ATOM 0 HA THR A 76 -0.759 -5.447 -8.948 1.00 0.00 H new ATOM 0 HB THR A 76 -2.828 -4.507 -10.168 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.251 -5.635 -12.182 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.509 -3.988 -12.179 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.532 -3.851 -10.698 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.355 -5.274 -11.751 1.00 0.00 H new ATOM 1207 N ARG A 77 -2.769 -7.600 -8.004 1.00 0.00 N ATOM 1208 CA ARG A 77 -3.719 -8.008 -6.981 1.00 0.00 C ATOM 1209 C ARG A 77 -3.170 -7.725 -5.591 1.00 0.00 C ATOM 1210 O ARG A 77 -2.221 -8.371 -5.142 1.00 0.00 O ATOM 1211 CB ARG A 77 -4.060 -9.492 -7.119 1.00 0.00 C ATOM 1212 CG ARG A 77 -5.113 -9.772 -8.174 1.00 0.00 C ATOM 1213 CD ARG A 77 -5.399 -11.258 -8.298 1.00 0.00 C ATOM 1214 NE ARG A 77 -4.567 -11.903 -9.309 1.00 0.00 N ATOM 1215 CZ ARG A 77 -4.121 -13.154 -9.222 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -4.282 -13.854 -8.105 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -3.489 -13.694 -10.253 1.00 0.00 N ATOM 0 H ARG A 77 -2.243 -8.369 -8.420 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.631 -7.427 -7.120 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.153 -10.044 -7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.410 -9.868 -6.158 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.032 -9.244 -7.920 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.777 -9.384 -9.136 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.233 -11.739 -7.334 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.450 -11.403 -8.550 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.311 -11.361 -10.134 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.751 -13.434 -7.303 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.936 -14.812 -8.049 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.347 -13.152 -11.105 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.144 -14.652 -10.195 1.00 0.00 H new ATOM 1231 N PHE A 78 -3.764 -6.745 -4.926 1.00 0.00 N ATOM 1232 CA PHE A 78 -3.364 -6.371 -3.580 1.00 0.00 C ATOM 1233 C PHE A 78 -3.895 -7.382 -2.567 1.00 0.00 C ATOM 1234 O PHE A 78 -5.090 -7.402 -2.258 1.00 0.00 O ATOM 1235 CB PHE A 78 -3.879 -4.963 -3.255 1.00 0.00 C ATOM 1236 CG PHE A 78 -3.550 -4.486 -1.866 1.00 0.00 C ATOM 1237 CD1 PHE A 78 -2.301 -3.963 -1.577 1.00 0.00 C ATOM 1238 CD2 PHE A 78 -4.496 -4.550 -0.853 1.00 0.00 C ATOM 1239 CE1 PHE A 78 -1.999 -3.518 -0.305 1.00 0.00 C ATOM 1240 CE2 PHE A 78 -4.198 -4.109 0.420 1.00 0.00 C ATOM 1241 CZ PHE A 78 -2.949 -3.590 0.695 1.00 0.00 C ATOM 0 H PHE A 78 -4.533 -6.190 -5.303 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.276 -6.369 -3.522 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.460 -4.261 -3.976 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.961 -4.946 -3.385 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.554 -3.902 -2.355 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.477 -4.950 -1.063 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.020 -3.114 -0.092 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.942 -4.170 1.201 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.715 -3.241 1.690 1.00 0.00 H new ATOM 1251 N VAL A 79 -3.008 -8.233 -2.070 1.00 0.00 N ATOM 1252 CA VAL A 79 -3.380 -9.224 -1.075 1.00 0.00 C ATOM 1253 C VAL A 79 -3.367 -8.600 0.317 1.00 0.00 C ATOM 1254 O VAL A 79 -4.283 -8.810 1.113 1.00 0.00 O ATOM 1255 CB VAL A 79 -2.434 -10.446 -1.112 1.00 0.00 C ATOM 1256 CG1 VAL A 79 -2.857 -11.495 -0.093 1.00 0.00 C ATOM 1257 CG2 VAL A 79 -2.394 -11.045 -2.511 1.00 0.00 C ATOM 0 H VAL A 79 -2.025 -8.255 -2.341 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.387 -9.569 -1.309 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.432 -10.107 -0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.175 -12.344 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.830 -11.063 0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.870 -11.831 -0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.723 -11.904 -2.520 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.396 -11.363 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.034 -10.297 -3.217 1.00 0.00 H new ATOM 1267 N GLY A 80 -2.329 -7.825 0.601 1.00 0.00 N ATOM 1268 CA GLY A 80 -2.255 -7.124 1.867 1.00 0.00 C ATOM 1269 C GLY A 80 -0.892 -6.513 2.109 1.00 0.00 C ATOM 1270 O GLY A 80 0.112 -6.995 1.586 1.00 0.00 O ATOM 0 H GLY A 80 -1.537 -7.669 -0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.011 -6.339 1.889 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.489 -7.816 2.676 1.00 0.00 H new ATOM 1274 N PHE A 81 -0.854 -5.446 2.888 1.00 0.00 N ATOM 1275 CA PHE A 81 0.403 -4.814 3.244 1.00 0.00 C ATOM 1276 C PHE A 81 0.887 -5.367 4.575 1.00 0.00 C ATOM 1277 O PHE A 81 0.112 -5.492 5.523 1.00 0.00 O ATOM 1278 CB PHE A 81 0.239 -3.292 3.317 1.00 0.00 C ATOM 1279 CG PHE A 81 1.524 -2.555 3.569 1.00 0.00 C ATOM 1280 CD1 PHE A 81 2.481 -2.443 2.572 1.00 0.00 C ATOM 1281 CD2 PHE A 81 1.776 -1.976 4.801 1.00 0.00 C ATOM 1282 CE1 PHE A 81 3.665 -1.768 2.802 1.00 0.00 C ATOM 1283 CE2 PHE A 81 2.958 -1.300 5.037 1.00 0.00 C ATOM 1284 CZ PHE A 81 3.903 -1.196 4.036 1.00 0.00 C ATOM 0 H PHE A 81 -1.680 -4.999 3.286 1.00 0.00 H new ATOM 0 HA PHE A 81 1.145 -5.034 2.476 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.195 -2.937 2.382 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.469 -3.050 4.109 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.299 -2.888 1.605 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.040 -2.054 5.587 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.403 -1.688 2.018 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.142 -0.854 6.003 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.827 -0.668 4.218 1.00 0.00 H new ATOM 1294 N VAL A 82 2.160 -5.712 4.638 1.00 0.00 N ATOM 1295 CA VAL A 82 2.723 -6.312 5.830 1.00 0.00 C ATOM 1296 C VAL A 82 3.590 -5.307 6.575 1.00 0.00 C ATOM 1297 O VAL A 82 4.774 -5.130 6.264 1.00 0.00 O ATOM 1298 CB VAL A 82 3.565 -7.564 5.495 1.00 0.00 C ATOM 1299 CG1 VAL A 82 4.009 -8.272 6.767 1.00 0.00 C ATOM 1300 CG2 VAL A 82 2.788 -8.512 4.593 1.00 0.00 C ATOM 0 H VAL A 82 2.824 -5.586 3.874 1.00 0.00 H new ATOM 0 HA VAL A 82 1.889 -6.616 6.462 1.00 0.00 H new ATOM 0 HB VAL A 82 4.456 -7.239 4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.600 -9.150 6.507 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.613 -7.593 7.369 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.132 -8.580 7.337 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.400 -9.386 4.370 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.875 -8.828 5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.532 -8.002 3.664 1.00 0.00 H new ATOM 1310 N SER A 83 2.983 -4.627 7.531 1.00 0.00 N ATOM 1311 CA SER A 83 3.704 -3.712 8.395 1.00 0.00 C ATOM 1312 C SER A 83 4.506 -4.505 9.419 1.00 0.00 C ATOM 1313 O SER A 83 4.130 -5.624 9.774 1.00 0.00 O ATOM 1314 CB SER A 83 2.719 -2.781 9.100 1.00 0.00 C ATOM 1315 OG SER A 83 1.810 -2.215 8.174 1.00 0.00 O ATOM 0 H SER A 83 1.985 -4.693 7.729 1.00 0.00 H new ATOM 0 HA SER A 83 4.388 -3.110 7.797 1.00 0.00 H new ATOM 0 HB2 SER A 83 2.171 -3.335 9.862 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.264 -1.988 9.612 1.00 0.00 H new ATOM 0 HG SER A 83 1.074 -1.786 8.659 1.00 0.00 H new ATOM 1321 N ARG A 84 5.607 -3.934 9.890 1.00 0.00 N ATOM 1322 CA ARG A 84 6.454 -4.614 10.862 1.00 0.00 C ATOM 1323 C ARG A 84 5.750 -4.744 12.211 1.00 0.00 C ATOM 1324 O ARG A 84 6.085 -5.615 13.011 1.00 0.00 O ATOM 1325 CB ARG A 84 7.796 -3.894 11.013 1.00 0.00 C ATOM 1326 CG ARG A 84 8.700 -4.064 9.802 1.00 0.00 C ATOM 1327 CD ARG A 84 10.083 -3.482 10.041 1.00 0.00 C ATOM 1328 NE ARG A 84 10.076 -2.021 10.080 1.00 0.00 N ATOM 1329 CZ ARG A 84 11.172 -1.276 10.214 1.00 0.00 C ATOM 1330 NH1 ARG A 84 12.362 -1.856 10.330 1.00 0.00 N ATOM 1331 NH2 ARG A 84 11.075 0.046 10.214 1.00 0.00 N ATOM 0 H ARG A 84 5.933 -3.007 9.617 1.00 0.00 H new ATOM 0 HA ARG A 84 6.649 -5.620 10.490 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.616 -2.832 11.179 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.308 -4.273 11.898 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.789 -5.123 9.561 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.246 -3.578 8.939 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.477 -3.866 10.982 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.756 -3.818 9.252 1.00 0.00 H new ATOM 0 HE ARG A 84 9.178 -1.543 10.000 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.437 -2.873 10.316 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.200 -1.284 10.433 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.163 0.490 10.112 1.00 0.00 H new ATOM 0 HH22 ARG A 84 11.913 0.619 10.316 1.00 0.00 H new ATOM 1345 N THR A 85 4.776 -3.878 12.452 1.00 0.00 N ATOM 1346 CA THR A 85 3.939 -3.983 13.635 1.00 0.00 C ATOM 1347 C THR A 85 2.541 -3.416 13.348 1.00 0.00 C ATOM 1348 O THR A 85 2.348 -2.201 13.239 1.00 0.00 O ATOM 1349 CB THR A 85 4.587 -3.294 14.865 1.00 0.00 C ATOM 1350 OG1 THR A 85 3.704 -3.338 15.993 1.00 0.00 O ATOM 1351 CG2 THR A 85 4.969 -1.852 14.572 1.00 0.00 C ATOM 0 H THR A 85 4.547 -3.094 11.841 1.00 0.00 H new ATOM 0 HA THR A 85 3.840 -5.040 13.884 1.00 0.00 H new ATOM 0 HB THR A 85 5.498 -3.846 15.096 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.130 -2.900 16.759 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.419 -1.407 15.460 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.684 -1.825 13.750 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.078 -1.288 14.296 1.00 0.00 H new ATOM 1359 N PRO A 86 1.558 -4.310 13.155 1.00 0.00 N ATOM 1360 CA PRO A 86 0.189 -3.931 12.844 1.00 0.00 C ATOM 1361 C PRO A 86 -0.709 -3.824 14.079 1.00 0.00 C ATOM 1362 O PRO A 86 -0.271 -4.046 15.209 1.00 0.00 O ATOM 1363 CB PRO A 86 -0.260 -5.087 11.956 1.00 0.00 C ATOM 1364 CG PRO A 86 0.474 -6.283 12.480 1.00 0.00 C ATOM 1365 CD PRO A 86 1.712 -5.773 13.187 1.00 0.00 C ATOM 0 HA PRO A 86 0.126 -2.943 12.387 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -1.339 -5.231 12.010 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.015 -4.900 10.910 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -0.155 -6.850 13.166 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.745 -6.955 11.666 1.00 0.00 H new ATOM 0 HD2 PRO A 86 1.771 -6.147 14.209 1.00 0.00 H new ATOM 0 HD3 PRO A 86 2.622 -6.090 12.678 1.00 0.00 H new ATOM 1373 N ASP A 87 -1.977 -3.507 13.837 1.00 0.00 N ATOM 1374 CA ASP A 87 -2.970 -3.348 14.901 1.00 0.00 C ATOM 1375 C ASP A 87 -3.412 -4.709 15.435 1.00 0.00 C ATOM 1376 O ASP A 87 -4.008 -4.810 16.503 1.00 0.00 O ATOM 1377 CB ASP A 87 -4.177 -2.577 14.349 1.00 0.00 C ATOM 1378 CG ASP A 87 -5.252 -2.292 15.387 1.00 0.00 C ATOM 1379 OD1 ASP A 87 -5.132 -1.286 16.117 1.00 0.00 O ATOM 1380 OD2 ASP A 87 -6.249 -3.044 15.443 1.00 0.00 O ATOM 0 H ASP A 87 -2.348 -3.353 12.899 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.525 -2.791 15.726 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.831 -1.632 13.929 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.617 -3.147 13.531 1.00 0.00 H new ATOM 1385 N ASN A 88 -3.086 -5.755 14.681 1.00 0.00 N ATOM 1386 CA ASN A 88 -3.489 -7.123 15.006 1.00 0.00 C ATOM 1387 C ASN A 88 -3.061 -7.524 16.414 1.00 0.00 C ATOM 1388 O ASN A 88 -3.825 -8.139 17.155 1.00 0.00 O ATOM 1389 CB ASN A 88 -2.880 -8.118 14.009 1.00 0.00 C ATOM 1390 CG ASN A 88 -3.349 -7.920 12.579 1.00 0.00 C ATOM 1391 OD1 ASN A 88 -3.640 -6.804 12.147 1.00 0.00 O ATOM 1392 ND2 ASN A 88 -3.418 -9.009 11.830 1.00 0.00 N ATOM 0 H ASN A 88 -2.534 -5.680 13.826 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.577 -7.150 14.948 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -1.794 -8.030 14.040 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.127 -9.131 14.325 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.721 -8.941 10.858 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.168 -9.916 12.224 1.00 0.00 H new ATOM 1399 N GLU A 89 -1.838 -7.169 16.774 1.00 0.00 N ATOM 1400 CA GLU A 89 -1.256 -7.610 18.034 1.00 0.00 C ATOM 1401 C GLU A 89 -1.417 -6.564 19.127 1.00 0.00 C ATOM 1402 O GLU A 89 -0.881 -6.714 20.223 1.00 0.00 O ATOM 1403 CB GLU A 89 0.222 -7.939 17.838 1.00 0.00 C ATOM 1404 CG GLU A 89 0.457 -9.147 16.950 1.00 0.00 C ATOM 1405 CD GLU A 89 -0.071 -10.426 17.562 1.00 0.00 C ATOM 1406 OE1 GLU A 89 -1.260 -10.743 17.367 1.00 0.00 O ATOM 1407 OE2 GLU A 89 0.705 -11.121 18.250 1.00 0.00 O ATOM 0 H GLU A 89 -1.228 -6.576 16.212 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.790 -8.505 18.352 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.725 -7.075 17.404 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.679 -8.118 18.811 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.024 -8.984 15.985 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.525 -9.252 16.760 1.00 0.00 H new ATOM 1414 N LEU A 90 -2.161 -5.513 18.834 1.00 0.00 N ATOM 1415 CA LEU A 90 -2.360 -4.444 19.794 1.00 0.00 C ATOM 1416 C LEU A 90 -3.834 -4.284 20.107 1.00 0.00 C ATOM 1417 O LEU A 90 -4.654 -4.104 19.208 1.00 0.00 O ATOM 1418 CB LEU A 90 -1.795 -3.125 19.262 1.00 0.00 C ATOM 1419 CG LEU A 90 -0.278 -3.093 19.070 1.00 0.00 C ATOM 1420 CD1 LEU A 90 0.157 -1.742 18.529 1.00 0.00 C ATOM 1421 CD2 LEU A 90 0.432 -3.392 20.381 1.00 0.00 C ATOM 0 H LEU A 90 -2.636 -5.377 17.942 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.829 -4.707 20.709 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.270 -2.905 18.306 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.075 -2.326 19.949 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.005 -3.862 18.347 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.239 -1.734 18.397 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.327 -1.562 17.569 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.129 -0.959 19.232 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.510 -3.365 20.225 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.154 -2.645 21.124 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.141 -4.381 20.735 1.00 0.00 H new ATOM 1433 N GLU A 91 -4.172 -4.349 21.379 1.00 0.00 N ATOM 1434 CA GLU A 91 -5.545 -4.160 21.792 1.00 0.00 C ATOM 1435 C GLU A 91 -5.839 -2.678 21.914 1.00 0.00 C ATOM 1436 O GLU A 91 -5.018 -1.911 22.421 1.00 0.00 O ATOM 1437 CB GLU A 91 -5.843 -4.871 23.112 1.00 0.00 C ATOM 1438 CG GLU A 91 -5.766 -6.384 23.016 1.00 0.00 C ATOM 1439 CD GLU A 91 -6.414 -7.071 24.197 1.00 0.00 C ATOM 1440 OE1 GLU A 91 -5.742 -7.253 25.233 1.00 0.00 O ATOM 1441 OE2 GLU A 91 -7.603 -7.433 24.098 1.00 0.00 O ATOM 0 H GLU A 91 -3.518 -4.530 22.140 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.191 -4.600 21.033 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.138 -4.527 23.868 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.839 -4.587 23.452 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.252 -6.712 22.097 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.721 -6.688 22.951 1.00 0.00 H new ATOM 1448 N HIS A 92 -6.996 -2.274 21.419 1.00 0.00 N ATOM 1449 CA HIS A 92 -7.396 -0.878 21.468 1.00 0.00 C ATOM 1450 C HIS A 92 -7.547 -0.439 22.919 1.00 0.00 C ATOM 1451 O HIS A 92 -6.968 0.568 23.316 1.00 0.00 O ATOM 1452 CB HIS A 92 -8.689 -0.662 20.673 1.00 0.00 C ATOM 1453 CG HIS A 92 -8.552 -1.055 19.231 1.00 0.00 C ATOM 1454 ND1 HIS A 92 -9.479 -1.820 18.562 1.00 0.00 N ATOM 1455 CD2 HIS A 92 -7.563 -0.806 18.340 1.00 0.00 C ATOM 1456 CE1 HIS A 92 -9.065 -2.027 17.326 1.00 0.00 C ATOM 1457 NE2 HIS A 92 -7.901 -1.424 17.161 1.00 0.00 N ATOM 0 H HIS A 92 -7.676 -2.893 20.978 1.00 0.00 H new ATOM 0 HA HIS A 92 -6.624 -0.263 21.005 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -9.492 -1.241 21.129 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -8.978 0.387 20.734 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -10.350 -2.172 18.959 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -6.670 -0.226 18.523 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -9.591 -2.596 16.573 1.00 0.00 H new ATOM 1466 N HIS A 93 -8.309 -1.225 23.692 1.00 0.00 N ATOM 1467 CA HIS A 93 -8.403 -1.078 25.155 1.00 0.00 C ATOM 1468 C HIS A 93 -8.625 0.381 25.579 1.00 0.00 C ATOM 1469 O HIS A 93 -9.758 0.856 25.631 1.00 0.00 O ATOM 1470 CB HIS A 93 -7.130 -1.647 25.812 1.00 0.00 C ATOM 1471 CG HIS A 93 -7.208 -1.832 27.303 1.00 0.00 C ATOM 1472 ND1 HIS A 93 -7.002 -3.046 27.918 1.00 0.00 N ATOM 1473 CD2 HIS A 93 -7.440 -0.948 28.303 1.00 0.00 C ATOM 1474 CE1 HIS A 93 -7.110 -2.902 29.223 1.00 0.00 C ATOM 1475 NE2 HIS A 93 -7.375 -1.639 29.485 1.00 0.00 N ATOM 0 H HIS A 93 -8.880 -1.984 23.321 1.00 0.00 H new ATOM 0 HA HIS A 93 -9.273 -1.640 25.494 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -6.903 -2.610 25.354 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -6.296 -0.982 25.587 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -7.640 0.107 28.190 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -7.000 -3.688 29.955 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -7.510 -1.241 30.414 1.00 0.00 H new ATOM 1484 N HIS A 94 -7.529 1.070 25.880 1.00 0.00 N ATOM 1485 CA HIS A 94 -7.544 2.472 26.275 1.00 0.00 C ATOM 1486 C HIS A 94 -6.175 3.069 26.007 1.00 0.00 C ATOM 1487 O HIS A 94 -5.158 2.426 26.270 1.00 0.00 O ATOM 1488 CB HIS A 94 -7.882 2.644 27.764 1.00 0.00 C ATOM 1489 CG HIS A 94 -9.346 2.727 28.066 1.00 0.00 C ATOM 1490 ND1 HIS A 94 -9.950 2.003 29.071 1.00 0.00 N ATOM 1491 CD2 HIS A 94 -10.326 3.478 27.507 1.00 0.00 C ATOM 1492 CE1 HIS A 94 -11.235 2.301 29.113 1.00 0.00 C ATOM 1493 NE2 HIS A 94 -11.488 3.193 28.177 1.00 0.00 N ATOM 0 H HIS A 94 -6.594 0.664 25.856 1.00 0.00 H new ATOM 0 HA HIS A 94 -8.314 2.980 25.695 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -7.457 1.807 28.318 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.397 3.549 28.131 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -10.213 4.172 26.687 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -11.957 1.884 29.799 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -12.401 3.605 27.982 1.00 0.00 H new ATOM 1502 N HIS A 95 -6.140 4.277 25.476 1.00 0.00 N ATOM 1503 CA HIS A 95 -4.873 4.939 25.210 1.00 0.00 C ATOM 1504 C HIS A 95 -4.595 5.995 26.265 1.00 0.00 C ATOM 1505 O HIS A 95 -5.312 6.992 26.372 1.00 0.00 O ATOM 1506 CB HIS A 95 -4.851 5.546 23.807 1.00 0.00 C ATOM 1507 CG HIS A 95 -4.788 4.511 22.728 1.00 0.00 C ATOM 1508 ND1 HIS A 95 -5.519 4.583 21.563 1.00 0.00 N ATOM 1509 CD2 HIS A 95 -4.073 3.365 22.649 1.00 0.00 C ATOM 1510 CE1 HIS A 95 -5.260 3.526 20.818 1.00 0.00 C ATOM 1511 NE2 HIS A 95 -4.385 2.769 21.454 1.00 0.00 N ATOM 0 H HIS A 95 -6.967 4.818 25.221 1.00 0.00 H new ATOM 0 HA HIS A 95 -4.082 4.191 25.257 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.743 6.157 23.666 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -3.992 6.211 23.717 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.384 2.989 23.390 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -5.691 3.315 19.850 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -4.004 1.887 21.113 1.00 0.00 H new ATOM 1520 N HIS A 96 -3.557 5.755 27.053 1.00 0.00 N ATOM 1521 CA HIS A 96 -3.191 6.646 28.144 1.00 0.00 C ATOM 1522 C HIS A 96 -2.655 7.965 27.612 1.00 0.00 C ATOM 1523 O HIS A 96 -1.769 7.988 26.757 1.00 0.00 O ATOM 1524 CB HIS A 96 -2.134 6.004 29.047 1.00 0.00 C ATOM 1525 CG HIS A 96 -2.619 4.812 29.811 1.00 0.00 C ATOM 1526 ND1 HIS A 96 -2.093 3.552 29.649 1.00 0.00 N ATOM 1527 CD2 HIS A 96 -3.571 4.699 30.766 1.00 0.00 C ATOM 1528 CE1 HIS A 96 -2.696 2.716 30.468 1.00 0.00 C ATOM 1529 NE2 HIS A 96 -3.598 3.384 31.159 1.00 0.00 N ATOM 0 H HIS A 96 -2.948 4.942 26.955 1.00 0.00 H new ATOM 0 HA HIS A 96 -4.094 6.833 28.726 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -1.282 5.707 28.435 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.774 6.752 29.753 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -4.193 5.495 31.148 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -2.487 1.660 30.558 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -4.215 2.989 31.869 1.00 0.00 H new ATOM 1538 N HIS A 97 -3.205 9.055 28.112 1.00 0.00 N ATOM 1539 CA HIS A 97 -2.706 10.379 27.795 1.00 0.00 C ATOM 1540 C HIS A 97 -2.451 11.131 29.088 1.00 0.00 C ATOM 1541 O HIS A 97 -3.398 11.747 29.612 1.00 0.00 O ATOM 1542 CB HIS A 97 -3.693 11.150 26.910 1.00 0.00 C ATOM 1543 CG HIS A 97 -3.788 10.620 25.512 1.00 0.00 C ATOM 1544 ND1 HIS A 97 -4.889 9.946 25.033 1.00 0.00 N ATOM 1545 CD2 HIS A 97 -2.908 10.671 24.486 1.00 0.00 C ATOM 1546 CE1 HIS A 97 -4.681 9.605 23.774 1.00 0.00 C ATOM 1547 NE2 HIS A 97 -3.487 10.035 23.417 1.00 0.00 N ATOM 1548 OXT HIS A 97 -1.318 11.051 29.604 1.00 0.00 O ATOM 0 H HIS A 97 -4.005 9.048 28.745 1.00 0.00 H new ATOM 0 HA HIS A 97 -1.776 10.282 27.235 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -4.681 11.118 27.369 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -3.393 12.197 26.873 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.930 11.128 24.505 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.372 9.065 23.144 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -3.063 9.915 22.497 1.00 0.00 H new TER 1557 HIS A 97