USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 630 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 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 33 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00428) USER MOD Set 2.1: A 22 THR OG1 : rot -41:sc= 0.118 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.814 K(o=0.93,f=-3!) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.0327 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 137:sc= -0.0365 (180deg=-1.96) USER MOD Single : A 1 MET N :NH3+ 175:sc= 0.822 (180deg=0.542) USER MOD Single : A 2 GLN : amide:sc=-0.00483 X(o=-0.0048,f=-0.0048) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 55:sc= -2.63! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.054 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -9.88! C(o=-9.9!,f=-19!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.248 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 110:sc= 0.28 USER MOD Single : A 60 ASN : amide:sc= -3.49! C(o=-3.5!,f=-4.7!) USER MOD Single : A 62 GLN : amide:sc= -0.165 X(o=-0.17,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -164:sc=-0.00645 (180deg=-0.117) USER MOD Single : A 65 SER OG : rot -117:sc= 0.0272 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.358 X(o=-0.36,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.993 -19.744 -1.759 1.00 0.00 N ATOM 2 CA MET A 1 3.455 -19.038 -2.983 1.00 0.00 C ATOM 3 C MET A 1 4.283 -17.807 -2.630 1.00 0.00 C ATOM 4 O MET A 1 3.932 -17.048 -1.726 1.00 0.00 O ATOM 5 CB MET A 1 2.229 -18.633 -3.804 1.00 0.00 C ATOM 6 CG MET A 1 1.233 -17.783 -3.031 1.00 0.00 C ATOM 7 SD MET A 1 0.346 -16.620 -4.085 1.00 0.00 S ATOM 8 CE MET A 1 -0.347 -17.732 -5.306 1.00 0.00 C ATOM 0 H1 MET A 1 2.363 -20.527 -2.027 1.00 0.00 H new ATOM 0 H2 MET A 1 3.815 -20.121 -1.245 1.00 0.00 H new ATOM 0 H3 MET A 1 2.478 -19.079 -1.148 1.00 0.00 H new ATOM 0 HA MET A 1 4.092 -19.706 -3.563 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.558 -18.082 -4.685 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.727 -19.533 -4.160 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.516 -18.435 -2.532 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.759 -17.232 -2.252 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.381 -17.453 -5.507 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.232 -17.667 -6.227 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.314 -18.754 -4.928 1.00 0.00 H new ATOM 20 N GLN A 2 5.384 -17.614 -3.349 1.00 0.00 N ATOM 21 CA GLN A 2 6.262 -16.474 -3.112 1.00 0.00 C ATOM 22 C GLN A 2 5.965 -15.346 -4.095 1.00 0.00 C ATOM 23 O GLN A 2 6.387 -15.389 -5.251 1.00 0.00 O ATOM 24 CB GLN A 2 7.727 -16.899 -3.230 1.00 0.00 C ATOM 25 CG GLN A 2 8.691 -15.956 -2.530 1.00 0.00 C ATOM 26 CD GLN A 2 10.110 -16.491 -2.497 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.670 -16.861 -3.530 1.00 0.00 O ATOM 28 NE2 GLN A 2 10.700 -16.532 -1.308 1.00 0.00 N ATOM 0 H GLN A 2 5.689 -18.232 -4.101 1.00 0.00 H new ATOM 0 HA GLN A 2 6.078 -16.108 -2.102 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.842 -17.899 -2.812 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.995 -16.962 -4.285 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.682 -14.991 -3.037 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.348 -15.783 -1.510 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.198 -16.215 -0.478 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.655 -16.880 -1.224 1.00 0.00 H new ATOM 37 N LEU A 3 5.236 -14.339 -3.627 1.00 0.00 N ATOM 38 CA LEU A 3 4.881 -13.199 -4.465 1.00 0.00 C ATOM 39 C LEU A 3 5.807 -12.017 -4.196 1.00 0.00 C ATOM 40 O LEU A 3 6.165 -11.744 -3.051 1.00 0.00 O ATOM 41 CB LEU A 3 3.428 -12.790 -4.218 1.00 0.00 C ATOM 42 CG LEU A 3 2.403 -13.914 -4.372 1.00 0.00 C ATOM 43 CD1 LEU A 3 0.990 -13.353 -4.369 1.00 0.00 C ATOM 44 CD2 LEU A 3 2.665 -14.701 -5.647 1.00 0.00 C ATOM 0 H LEU A 3 4.879 -14.289 -2.673 1.00 0.00 H new ATOM 0 HA LEU A 3 4.995 -13.497 -5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.348 -12.382 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.170 -11.987 -4.909 1.00 0.00 H new ATOM 0 HG LEU A 3 2.503 -14.591 -3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.275 -14.168 -4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.806 -12.834 -3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.874 -12.654 -5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.927 -15.497 -5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.593 -14.035 -6.507 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.664 -15.135 -5.608 1.00 0.00 H new ATOM 56 N PHE A 4 6.191 -11.319 -5.259 1.00 0.00 N ATOM 57 CA PHE A 4 7.076 -10.166 -5.138 1.00 0.00 C ATOM 58 C PHE A 4 6.282 -8.865 -5.174 1.00 0.00 C ATOM 59 O PHE A 4 5.410 -8.681 -6.023 1.00 0.00 O ATOM 60 CB PHE A 4 8.114 -10.175 -6.261 1.00 0.00 C ATOM 61 CG PHE A 4 8.485 -11.555 -6.726 1.00 0.00 C ATOM 62 CD1 PHE A 4 8.732 -12.569 -5.807 1.00 0.00 C ATOM 63 CD2 PHE A 4 8.589 -11.840 -8.083 1.00 0.00 C ATOM 64 CE1 PHE A 4 9.075 -13.843 -6.233 1.00 0.00 C ATOM 65 CE2 PHE A 4 8.931 -13.113 -8.514 1.00 0.00 C ATOM 66 CZ PHE A 4 9.174 -14.114 -7.588 1.00 0.00 C ATOM 0 H PHE A 4 5.903 -11.531 -6.214 1.00 0.00 H new ATOM 0 HA PHE A 4 7.588 -10.231 -4.178 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.727 -9.607 -7.107 1.00 0.00 H new ATOM 0 HB3 PHE A 4 9.013 -9.662 -5.918 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.656 -12.362 -4.750 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.402 -11.062 -8.809 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.265 -14.623 -5.510 1.00 0.00 H new ATOM 0 HE2 PHE A 4 9.008 -13.324 -9.570 1.00 0.00 H new ATOM 0 HZ PHE A 4 9.441 -15.106 -7.922 1.00 0.00 H new ATOM 76 N VAL A 5 6.593 -7.962 -4.249 1.00 0.00 N ATOM 77 CA VAL A 5 5.910 -6.676 -4.176 1.00 0.00 C ATOM 78 C VAL A 5 6.876 -5.528 -4.437 1.00 0.00 C ATOM 79 O VAL A 5 7.641 -5.134 -3.556 1.00 0.00 O ATOM 80 CB VAL A 5 5.245 -6.470 -2.802 1.00 0.00 C ATOM 81 CG1 VAL A 5 4.501 -5.143 -2.761 1.00 0.00 C ATOM 82 CG2 VAL A 5 4.307 -7.625 -2.484 1.00 0.00 C ATOM 0 H VAL A 5 7.314 -8.098 -3.540 1.00 0.00 H new ATOM 0 HA VAL A 5 5.139 -6.682 -4.946 1.00 0.00 H new ATOM 0 HB VAL A 5 6.026 -6.446 -2.042 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.038 -5.016 -1.783 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.202 -4.327 -2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.730 -5.134 -3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.846 -7.462 -1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.531 -7.684 -3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.871 -8.558 -2.467 1.00 0.00 H new ATOM 92 N LYS A 6 6.838 -4.994 -5.654 1.00 0.00 N ATOM 93 CA LYS A 6 7.711 -3.890 -6.032 1.00 0.00 C ATOM 94 C LYS A 6 6.976 -2.557 -5.941 1.00 0.00 C ATOM 95 O LYS A 6 5.775 -2.517 -5.676 1.00 0.00 O ATOM 96 CB LYS A 6 8.245 -4.098 -7.450 1.00 0.00 C ATOM 97 CG LYS A 6 7.218 -3.812 -8.534 1.00 0.00 C ATOM 98 CD LYS A 6 7.812 -2.981 -9.658 1.00 0.00 C ATOM 99 CE LYS A 6 9.012 -3.671 -10.286 1.00 0.00 C ATOM 100 NZ LYS A 6 9.701 -2.798 -11.275 1.00 0.00 N ATOM 0 H LYS A 6 6.211 -5.309 -6.395 1.00 0.00 H new ATOM 0 HA LYS A 6 8.549 -3.868 -5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.111 -3.453 -7.602 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.592 -5.126 -7.552 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.840 -4.752 -8.936 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.367 -3.285 -8.101 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.053 -2.803 -10.420 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.112 -2.007 -9.272 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.715 -3.959 -9.504 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.687 -4.589 -10.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.513 -3.306 -11.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.038 -2.544 -12.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.034 -1.933 -10.802 1.00 0.00 H new ATOM 114 N THR A 7 7.706 -1.468 -6.163 1.00 0.00 N ATOM 115 CA THR A 7 7.121 -0.134 -6.105 1.00 0.00 C ATOM 116 C THR A 7 7.557 0.704 -7.303 1.00 0.00 C ATOM 117 O THR A 7 8.002 0.169 -8.318 1.00 0.00 O ATOM 118 CB THR A 7 7.524 0.566 -4.807 1.00 0.00 C ATOM 119 OG1 THR A 7 8.896 0.917 -4.831 1.00 0.00 O ATOM 120 CG2 THR A 7 7.289 -0.279 -3.574 1.00 0.00 C ATOM 0 H THR A 7 8.702 -1.484 -6.384 1.00 0.00 H new ATOM 0 HA THR A 7 6.036 -0.239 -6.132 1.00 0.00 H new ATOM 0 HB THR A 7 6.891 1.451 -4.748 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.134 1.365 -3.993 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.596 0.277 -2.688 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.230 -0.526 -3.499 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.871 -1.198 -3.646 1.00 0.00 H new ATOM 128 N LEU A 8 7.425 2.020 -7.177 1.00 0.00 N ATOM 129 CA LEU A 8 7.805 2.933 -8.249 1.00 0.00 C ATOM 130 C LEU A 8 9.279 3.309 -8.147 1.00 0.00 C ATOM 131 O LEU A 8 9.883 3.763 -9.120 1.00 0.00 O ATOM 132 CB LEU A 8 6.941 4.194 -8.203 1.00 0.00 C ATOM 133 CG LEU A 8 5.465 3.956 -7.879 1.00 0.00 C ATOM 134 CD1 LEU A 8 4.716 5.278 -7.811 1.00 0.00 C ATOM 135 CD2 LEU A 8 4.834 3.034 -8.912 1.00 0.00 C ATOM 0 H LEU A 8 7.058 2.478 -6.343 1.00 0.00 H new ATOM 0 HA LEU A 8 7.644 2.424 -9.199 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.356 4.873 -7.458 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.009 4.698 -9.167 1.00 0.00 H new ATOM 0 HG LEU A 8 5.398 3.473 -6.904 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.667 5.091 -7.580 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.153 5.904 -7.033 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.790 5.788 -8.771 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.784 2.876 -8.665 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.910 3.488 -9.900 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.355 2.077 -8.912 1.00 0.00 H new ATOM 147 N THR A 9 9.853 3.117 -6.964 1.00 0.00 N ATOM 148 CA THR A 9 11.258 3.436 -6.737 1.00 0.00 C ATOM 149 C THR A 9 12.146 2.233 -7.044 1.00 0.00 C ATOM 150 O THR A 9 13.372 2.343 -7.060 1.00 0.00 O ATOM 151 CB THR A 9 11.474 3.889 -5.293 1.00 0.00 C ATOM 152 OG1 THR A 9 11.745 2.780 -4.455 1.00 0.00 O ATOM 153 CG2 THR A 9 10.285 4.624 -4.712 1.00 0.00 C ATOM 0 H THR A 9 9.368 2.743 -6.149 1.00 0.00 H new ATOM 0 HA THR A 9 11.533 4.249 -7.409 1.00 0.00 H new ATOM 0 HB THR A 9 12.322 4.573 -5.329 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.882 3.090 -3.536 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.505 4.917 -3.685 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.081 5.514 -5.308 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.412 3.971 -4.724 1.00 0.00 H new ATOM 161 N GLY A 10 11.518 1.086 -7.285 1.00 0.00 N ATOM 162 CA GLY A 10 12.269 -0.119 -7.588 1.00 0.00 C ATOM 163 C GLY A 10 12.261 -1.110 -6.441 1.00 0.00 C ATOM 164 O GLY A 10 12.093 -2.311 -6.650 1.00 0.00 O ATOM 0 H GLY A 10 10.505 0.970 -7.276 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.849 -0.592 -8.476 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.299 0.148 -7.826 1.00 0.00 H new ATOM 168 N LYS A 11 12.445 -0.606 -5.225 1.00 0.00 N ATOM 169 CA LYS A 11 12.459 -1.454 -4.038 1.00 0.00 C ATOM 170 C LYS A 11 11.375 -2.524 -4.120 1.00 0.00 C ATOM 171 O LYS A 11 10.183 -2.214 -4.131 1.00 0.00 O ATOM 172 CB LYS A 11 12.263 -0.609 -2.778 1.00 0.00 C ATOM 173 CG LYS A 11 13.175 -1.010 -1.630 1.00 0.00 C ATOM 174 CD LYS A 11 12.394 -1.656 -0.497 1.00 0.00 C ATOM 175 CE LYS A 11 11.217 -0.793 -0.071 1.00 0.00 C ATOM 176 NZ LYS A 11 11.124 -0.674 1.409 1.00 0.00 N ATOM 0 H LYS A 11 12.587 0.386 -5.035 1.00 0.00 H new ATOM 0 HA LYS A 11 13.429 -1.948 -3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.439 0.439 -3.022 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.226 -0.691 -2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.934 -1.704 -1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.700 -0.131 -1.256 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.034 -2.635 -0.814 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.054 -1.820 0.355 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.317 0.200 -0.510 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.293 -1.221 -0.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.309 -0.078 1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.003 -1.619 1.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.995 -0.242 1.778 1.00 0.00 H new ATOM 190 N THR A 12 11.796 -3.783 -4.177 1.00 0.00 N ATOM 191 CA THR A 12 10.861 -4.899 -4.256 1.00 0.00 C ATOM 192 C THR A 12 11.092 -5.884 -3.116 1.00 0.00 C ATOM 193 O THR A 12 12.203 -6.377 -2.924 1.00 0.00 O ATOM 194 CB THR A 12 11.001 -5.615 -5.600 1.00 0.00 C ATOM 195 OG1 THR A 12 10.628 -4.759 -6.666 1.00 0.00 O ATOM 196 CG2 THR A 12 10.159 -6.869 -5.701 1.00 0.00 C ATOM 0 H THR A 12 12.779 -4.056 -4.170 1.00 0.00 H new ATOM 0 HA THR A 12 9.850 -4.500 -4.168 1.00 0.00 H new ATOM 0 HB THR A 12 12.052 -5.896 -5.669 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.153 -3.933 -6.621 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.305 -7.328 -6.679 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.457 -7.571 -4.923 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.107 -6.612 -5.574 1.00 0.00 H new ATOM 204 N LEU A 13 10.034 -6.167 -2.363 1.00 0.00 N ATOM 205 CA LEU A 13 10.122 -7.094 -1.240 1.00 0.00 C ATOM 206 C LEU A 13 9.528 -8.450 -1.607 1.00 0.00 C ATOM 207 O LEU A 13 8.611 -8.536 -2.425 1.00 0.00 O ATOM 208 CB LEU A 13 9.397 -6.519 -0.021 1.00 0.00 C ATOM 209 CG LEU A 13 7.873 -6.655 -0.053 1.00 0.00 C ATOM 210 CD1 LEU A 13 7.402 -7.614 1.029 1.00 0.00 C ATOM 211 CD2 LEU A 13 7.214 -5.294 0.114 1.00 0.00 C ATOM 0 H LEU A 13 9.107 -5.768 -2.510 1.00 0.00 H new ATOM 0 HA LEU A 13 11.175 -7.233 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.773 -7.015 0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.651 -5.463 0.070 1.00 0.00 H new ATOM 0 HG LEU A 13 7.582 -7.061 -1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.316 -7.699 0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.849 -8.595 0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.703 -7.236 2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.130 -5.409 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.511 -4.861 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.528 -4.636 -0.696 1.00 0.00 H new ATOM 223 N THR A 14 10.056 -9.505 -0.998 1.00 0.00 N ATOM 224 CA THR A 14 9.577 -10.858 -1.260 1.00 0.00 C ATOM 225 C THR A 14 8.799 -11.401 -0.066 1.00 0.00 C ATOM 226 O THR A 14 9.277 -11.367 1.067 1.00 0.00 O ATOM 227 CB THR A 14 10.752 -11.784 -1.581 1.00 0.00 C ATOM 228 OG1 THR A 14 11.599 -11.201 -2.554 1.00 0.00 O ATOM 229 CG2 THR A 14 10.322 -13.138 -2.100 1.00 0.00 C ATOM 0 H THR A 14 10.816 -9.450 -0.320 1.00 0.00 H new ATOM 0 HA THR A 14 8.908 -10.819 -2.119 1.00 0.00 H new ATOM 0 HB THR A 14 11.275 -11.924 -0.635 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.345 -11.808 -2.744 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.203 -13.745 -2.308 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.707 -13.636 -1.351 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.745 -13.010 -3.016 1.00 0.00 H new ATOM 237 N VAL A 15 7.596 -11.902 -0.329 1.00 0.00 N ATOM 238 CA VAL A 15 6.750 -12.451 0.723 1.00 0.00 C ATOM 239 C VAL A 15 6.186 -13.810 0.321 1.00 0.00 C ATOM 240 O VAL A 15 6.116 -14.138 -0.864 1.00 0.00 O ATOM 241 CB VAL A 15 5.585 -11.504 1.062 1.00 0.00 C ATOM 242 CG1 VAL A 15 6.070 -10.347 1.922 1.00 0.00 C ATOM 243 CG2 VAL A 15 4.924 -10.994 -0.209 1.00 0.00 C ATOM 0 H VAL A 15 7.186 -11.939 -1.262 1.00 0.00 H new ATOM 0 HA VAL A 15 7.380 -12.567 1.605 1.00 0.00 H new ATOM 0 HB VAL A 15 4.841 -12.062 1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.232 -9.688 2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.491 -10.735 2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.834 -9.788 1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.103 -10.326 0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.656 -10.453 -0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.538 -11.837 -0.782 1.00 0.00 H new ATOM 253 N GLU A 16 5.784 -14.595 1.315 1.00 0.00 N ATOM 254 CA GLU A 16 5.225 -15.918 1.063 1.00 0.00 C ATOM 255 C GLU A 16 3.781 -15.999 1.550 1.00 0.00 C ATOM 256 O GLU A 16 3.508 -15.852 2.740 1.00 0.00 O ATOM 257 CB GLU A 16 6.068 -16.991 1.754 1.00 0.00 C ATOM 258 CG GLU A 16 6.917 -17.809 0.794 1.00 0.00 C ATOM 259 CD GLU A 16 7.014 -19.267 1.199 1.00 0.00 C ATOM 260 OE1 GLU A 16 6.087 -20.036 0.870 1.00 0.00 O ATOM 261 OE2 GLU A 16 8.017 -19.638 1.844 1.00 0.00 O ATOM 0 H GLU A 16 5.835 -14.339 2.301 1.00 0.00 H new ATOM 0 HA GLU A 16 5.238 -16.092 -0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.720 -16.514 2.486 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.408 -17.662 2.304 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.493 -17.741 -0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.919 -17.382 0.746 1.00 0.00 H new ATOM 268 N LEU A 17 2.863 -16.235 0.619 1.00 0.00 N ATOM 269 CA LEU A 17 1.447 -16.337 0.953 1.00 0.00 C ATOM 270 C LEU A 17 0.801 -17.510 0.223 1.00 0.00 C ATOM 271 O LEU A 17 1.480 -18.282 -0.453 1.00 0.00 O ATOM 272 CB LEU A 17 0.724 -15.037 0.598 1.00 0.00 C ATOM 273 CG LEU A 17 1.321 -13.773 1.222 1.00 0.00 C ATOM 274 CD1 LEU A 17 1.144 -12.583 0.292 1.00 0.00 C ATOM 275 CD2 LEU A 17 0.685 -13.495 2.576 1.00 0.00 C ATOM 0 H LEU A 17 3.073 -16.359 -0.371 1.00 0.00 H new ATOM 0 HA LEU A 17 1.362 -16.509 2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.724 -14.923 -0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.317 -15.121 0.910 1.00 0.00 H new ATOM 0 HG LEU A 17 2.389 -13.934 1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.575 -11.694 0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.648 -12.782 -0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.082 -12.419 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.122 -12.593 3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.389 -13.355 2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.866 -14.338 3.243 1.00 0.00 H new ATOM 287 N GLU A 18 -0.514 -17.637 0.364 1.00 0.00 N ATOM 288 CA GLU A 18 -1.249 -18.717 -0.282 1.00 0.00 C ATOM 289 C GLU A 18 -2.450 -18.174 -1.051 1.00 0.00 C ATOM 290 O GLU A 18 -3.006 -17.134 -0.699 1.00 0.00 O ATOM 291 CB GLU A 18 -1.713 -19.739 0.757 1.00 0.00 C ATOM 292 CG GLU A 18 -0.722 -19.947 1.891 1.00 0.00 C ATOM 293 CD GLU A 18 0.227 -21.100 1.632 1.00 0.00 C ATOM 294 OE1 GLU A 18 0.274 -21.583 0.480 1.00 0.00 O ATOM 295 OE2 GLU A 18 0.923 -21.521 2.580 1.00 0.00 O ATOM 0 H GLU A 18 -1.092 -17.006 0.919 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.579 -19.207 -0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.666 -19.414 1.174 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.891 -20.693 0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.146 -19.033 2.037 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.268 -20.131 2.816 1.00 0.00 H new ATOM 302 N PRO A 19 -2.865 -18.879 -2.113 1.00 0.00 N ATOM 303 CA PRO A 19 -4.005 -18.472 -2.937 1.00 0.00 C ATOM 304 C PRO A 19 -5.234 -18.148 -2.099 1.00 0.00 C ATOM 305 O PRO A 19 -6.127 -17.424 -2.541 1.00 0.00 O ATOM 306 CB PRO A 19 -4.263 -19.699 -3.813 1.00 0.00 C ATOM 307 CG PRO A 19 -2.943 -20.385 -3.901 1.00 0.00 C ATOM 308 CD PRO A 19 -2.251 -20.131 -2.590 1.00 0.00 C ATOM 0 HA PRO A 19 -3.798 -17.564 -3.503 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.018 -20.349 -3.372 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.627 -19.412 -4.800 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.070 -21.454 -4.074 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.356 -19.995 -4.733 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.410 -20.949 -1.887 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.174 -20.026 -2.719 1.00 0.00 H new ATOM 316 N SER A 20 -5.273 -18.687 -0.886 1.00 0.00 N ATOM 317 CA SER A 20 -6.394 -18.455 0.018 1.00 0.00 C ATOM 318 C SER A 20 -6.259 -17.105 0.716 1.00 0.00 C ATOM 319 O SER A 20 -7.245 -16.391 0.902 1.00 0.00 O ATOM 320 CB SER A 20 -6.478 -19.574 1.058 1.00 0.00 C ATOM 321 OG SER A 20 -5.189 -20.063 1.387 1.00 0.00 O ATOM 0 H SER A 20 -4.542 -19.288 -0.506 1.00 0.00 H new ATOM 0 HA SER A 20 -7.310 -18.449 -0.573 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.970 -19.203 1.957 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.092 -20.388 0.672 1.00 0.00 H new ATOM 0 HG SER A 20 -5.270 -20.776 2.055 1.00 0.00 H new ATOM 327 N ASP A 21 -5.033 -16.762 1.098 1.00 0.00 N ATOM 328 CA ASP A 21 -4.771 -15.497 1.775 1.00 0.00 C ATOM 329 C ASP A 21 -5.568 -14.364 1.135 1.00 0.00 C ATOM 330 O ASP A 21 -5.885 -14.410 -0.054 1.00 0.00 O ATOM 331 CB ASP A 21 -3.276 -15.173 1.733 1.00 0.00 C ATOM 332 CG ASP A 21 -2.490 -15.936 2.782 1.00 0.00 C ATOM 333 OD1 ASP A 21 -3.116 -16.457 3.729 1.00 0.00 O ATOM 334 OD2 ASP A 21 -1.250 -16.013 2.655 1.00 0.00 O ATOM 0 H ASP A 21 -4.207 -17.341 0.951 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.085 -15.596 2.814 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.883 -15.410 0.744 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.134 -14.103 1.884 1.00 0.00 H new ATOM 339 N THR A 22 -5.889 -13.351 1.931 1.00 0.00 N ATOM 340 CA THR A 22 -6.652 -12.208 1.442 1.00 0.00 C ATOM 341 C THR A 22 -5.808 -10.938 1.461 1.00 0.00 C ATOM 342 O THR A 22 -4.706 -10.919 2.011 1.00 0.00 O ATOM 343 CB THR A 22 -7.912 -12.010 2.286 1.00 0.00 C ATOM 344 OG1 THR A 22 -7.576 -11.788 3.645 1.00 0.00 O ATOM 345 CG2 THR A 22 -8.857 -13.191 2.234 1.00 0.00 C ATOM 0 H THR A 22 -5.633 -13.297 2.917 1.00 0.00 H new ATOM 0 HA THR A 22 -6.942 -12.413 0.411 1.00 0.00 H new ATOM 0 HB THR A 22 -8.414 -11.143 1.857 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.847 -12.390 3.904 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.730 -12.986 2.854 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.174 -13.358 1.205 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.349 -14.080 2.606 1.00 0.00 H new ATOM 353 N VAL A 23 -6.334 -9.877 0.858 1.00 0.00 N ATOM 354 CA VAL A 23 -5.632 -8.601 0.806 1.00 0.00 C ATOM 355 C VAL A 23 -5.092 -8.221 2.180 1.00 0.00 C ATOM 356 O VAL A 23 -3.953 -7.772 2.307 1.00 0.00 O ATOM 357 CB VAL A 23 -6.549 -7.474 0.296 1.00 0.00 C ATOM 358 CG1 VAL A 23 -5.802 -6.150 0.267 1.00 0.00 C ATOM 359 CG2 VAL A 23 -7.099 -7.815 -1.080 1.00 0.00 C ATOM 0 H VAL A 23 -7.245 -9.876 0.398 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.802 -8.722 0.110 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.389 -7.375 0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.466 -5.366 -0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.463 -5.902 1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.941 -6.232 -0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.745 -7.007 -1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.274 -7.943 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.673 -8.740 -1.023 1.00 0.00 H new ATOM 369 N GLU A 24 -5.916 -8.408 3.206 1.00 0.00 N ATOM 370 CA GLU A 24 -5.518 -8.089 4.571 1.00 0.00 C ATOM 371 C GLU A 24 -4.209 -8.788 4.924 1.00 0.00 C ATOM 372 O GLU A 24 -3.309 -8.185 5.508 1.00 0.00 O ATOM 373 CB GLU A 24 -6.614 -8.502 5.554 1.00 0.00 C ATOM 374 CG GLU A 24 -7.751 -7.499 5.652 1.00 0.00 C ATOM 375 CD GLU A 24 -8.843 -7.943 6.606 1.00 0.00 C ATOM 376 OE1 GLU A 24 -9.596 -8.875 6.254 1.00 0.00 O ATOM 377 OE2 GLU A 24 -8.943 -7.361 7.707 1.00 0.00 O ATOM 0 H GLU A 24 -6.862 -8.778 3.118 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.368 -7.012 4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.018 -9.468 5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.173 -8.637 6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.355 -6.538 5.981 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.180 -7.344 4.662 1.00 0.00 H new ATOM 384 N ASN A 25 -4.111 -10.062 4.560 1.00 0.00 N ATOM 385 CA ASN A 25 -2.911 -10.843 4.832 1.00 0.00 C ATOM 386 C ASN A 25 -1.694 -10.201 4.176 1.00 0.00 C ATOM 387 O ASN A 25 -0.696 -9.915 4.840 1.00 0.00 O ATOM 388 CB ASN A 25 -3.082 -12.276 4.324 1.00 0.00 C ATOM 389 CG ASN A 25 -4.035 -13.084 5.182 1.00 0.00 C ATOM 390 OD1 ASN A 25 -5.231 -13.161 4.899 1.00 0.00 O ATOM 391 ND2 ASN A 25 -3.509 -13.690 6.240 1.00 0.00 N ATOM 0 H ASN A 25 -4.848 -10.575 4.076 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.756 -10.866 5.911 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.451 -12.253 3.299 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.110 -12.769 4.302 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.102 -14.247 6.856 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.512 -13.599 6.437 1.00 0.00 H new ATOM 398 N LEU A 26 -1.785 -9.969 2.870 1.00 0.00 N ATOM 399 CA LEU A 26 -0.692 -9.352 2.129 1.00 0.00 C ATOM 400 C LEU A 26 -0.217 -8.086 2.834 1.00 0.00 C ATOM 401 O LEU A 26 0.965 -7.944 3.152 1.00 0.00 O ATOM 402 CB LEU A 26 -1.135 -9.021 0.703 1.00 0.00 C ATOM 403 CG LEU A 26 -0.162 -8.152 -0.093 1.00 0.00 C ATOM 404 CD1 LEU A 26 1.254 -8.697 0.018 1.00 0.00 C ATOM 405 CD2 LEU A 26 -0.590 -8.071 -1.550 1.00 0.00 C ATOM 0 H LEU A 26 -2.603 -10.199 2.305 1.00 0.00 H new ATOM 0 HA LEU A 26 0.135 -10.060 2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.291 -9.954 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.099 -8.513 0.747 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.177 -7.146 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.933 -8.066 -0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.560 -8.703 1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.285 -9.713 -0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.114 -7.448 -2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.605 -9.072 -1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.587 -7.635 -1.613 1.00 0.00 H new ATOM 417 N LYS A 27 -1.149 -7.172 3.084 1.00 0.00 N ATOM 418 CA LYS A 27 -0.826 -5.922 3.760 1.00 0.00 C ATOM 419 C LYS A 27 -0.233 -6.200 5.136 1.00 0.00 C ATOM 420 O LYS A 27 0.747 -5.575 5.539 1.00 0.00 O ATOM 421 CB LYS A 27 -2.076 -5.050 3.894 1.00 0.00 C ATOM 422 CG LYS A 27 -2.765 -4.766 2.568 1.00 0.00 C ATOM 423 CD LYS A 27 -3.676 -3.553 2.661 1.00 0.00 C ATOM 424 CE LYS A 27 -4.231 -3.168 1.299 1.00 0.00 C ATOM 425 NZ LYS A 27 -5.345 -2.186 1.410 1.00 0.00 N ATOM 0 H LYS A 27 -2.131 -7.274 2.829 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.088 -5.388 3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.782 -5.542 4.563 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.801 -4.104 4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.014 -4.600 1.795 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.347 -5.637 2.265 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.499 -3.766 3.343 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.123 -2.713 3.081 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.433 -2.745 0.689 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.585 -4.062 0.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.695 -1.950 0.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.117 -2.599 1.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.001 -1.323 1.877 1.00 0.00 H new ATOM 439 N ALA A 28 -0.832 -7.150 5.848 1.00 0.00 N ATOM 440 CA ALA A 28 -0.359 -7.518 7.176 1.00 0.00 C ATOM 441 C ALA A 28 1.144 -7.763 7.163 1.00 0.00 C ATOM 442 O ALA A 28 1.848 -7.428 8.116 1.00 0.00 O ATOM 443 CB ALA A 28 -1.095 -8.753 7.674 1.00 0.00 C ATOM 0 H ALA A 28 -1.644 -7.677 5.527 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.564 -6.691 7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.732 -9.017 8.667 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.164 -8.545 7.722 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.917 -9.583 6.990 1.00 0.00 H new ATOM 449 N LYS A 29 1.631 -8.346 6.072 1.00 0.00 N ATOM 450 CA LYS A 29 3.053 -8.631 5.928 1.00 0.00 C ATOM 451 C LYS A 29 3.835 -7.349 5.662 1.00 0.00 C ATOM 452 O LYS A 29 4.890 -7.119 6.254 1.00 0.00 O ATOM 453 CB LYS A 29 3.284 -9.628 4.790 1.00 0.00 C ATOM 454 CG LYS A 29 2.277 -10.766 4.764 1.00 0.00 C ATOM 455 CD LYS A 29 2.777 -11.970 5.546 1.00 0.00 C ATOM 456 CE LYS A 29 3.811 -12.758 4.758 1.00 0.00 C ATOM 457 NZ LYS A 29 4.965 -13.165 5.605 1.00 0.00 N ATOM 0 H LYS A 29 1.061 -8.630 5.275 1.00 0.00 H new ATOM 0 HA LYS A 29 3.408 -9.069 6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.244 -9.097 3.839 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.287 -10.044 4.881 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.331 -10.425 5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.081 -11.057 3.732 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.213 -11.637 6.488 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.936 -12.618 5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.343 -13.645 4.332 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.168 -12.154 3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.647 -13.700 5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.428 -12.318 5.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.628 -13.762 6.387 1.00 0.00 H new ATOM 471 N ILE A 30 3.309 -6.518 4.769 1.00 0.00 N ATOM 472 CA ILE A 30 3.955 -5.257 4.424 1.00 0.00 C ATOM 473 C ILE A 30 4.141 -4.379 5.657 1.00 0.00 C ATOM 474 O ILE A 30 5.086 -3.594 5.736 1.00 0.00 O ATOM 475 CB ILE A 30 3.144 -4.478 3.373 1.00 0.00 C ATOM 476 CG1 ILE A 30 2.770 -5.391 2.204 1.00 0.00 C ATOM 477 CG2 ILE A 30 3.934 -3.273 2.881 1.00 0.00 C ATOM 478 CD1 ILE A 30 2.090 -4.666 1.064 1.00 0.00 C ATOM 0 H ILE A 30 2.437 -6.695 4.271 1.00 0.00 H new ATOM 0 HA ILE A 30 4.931 -5.507 4.007 1.00 0.00 H new ATOM 0 HB ILE A 30 2.225 -4.121 3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.672 -5.876 1.829 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.111 -6.180 2.566 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.348 -2.732 2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.153 -2.614 3.721 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.868 -3.609 2.431 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.854 -5.375 0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.170 -4.204 1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.755 -3.895 0.675 1.00 0.00 H new ATOM 490 N GLN A 31 3.233 -4.517 6.618 1.00 0.00 N ATOM 491 CA GLN A 31 3.297 -3.736 7.848 1.00 0.00 C ATOM 492 C GLN A 31 4.288 -4.352 8.830 1.00 0.00 C ATOM 493 O GLN A 31 4.856 -3.657 9.672 1.00 0.00 O ATOM 494 CB GLN A 31 1.913 -3.643 8.491 1.00 0.00 C ATOM 495 CG GLN A 31 1.902 -2.875 9.803 1.00 0.00 C ATOM 496 CD GLN A 31 0.503 -2.691 10.359 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.332 -3.591 10.281 1.00 0.00 O ATOM 498 NE2 GLN A 31 0.242 -1.518 10.926 1.00 0.00 N ATOM 0 H GLN A 31 2.445 -5.162 6.569 1.00 0.00 H new ATOM 0 HA GLN A 31 3.639 -2.732 7.595 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.229 -3.162 7.792 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.534 -4.650 8.666 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.513 -3.404 10.534 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.360 -1.898 9.652 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.965 -0.800 10.969 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.682 -1.336 11.319 1.00 0.00 H new ATOM 507 N ASP A 32 4.494 -5.660 8.713 1.00 0.00 N ATOM 508 CA ASP A 32 5.419 -6.368 9.589 1.00 0.00 C ATOM 509 C ASP A 32 6.825 -6.387 8.996 1.00 0.00 C ATOM 510 O ASP A 32 7.778 -6.812 9.649 1.00 0.00 O ATOM 511 CB ASP A 32 4.935 -7.794 9.828 1.00 0.00 C ATOM 512 CG ASP A 32 4.736 -8.097 11.301 1.00 0.00 C ATOM 513 OD1 ASP A 32 4.459 -7.152 12.069 1.00 0.00 O ATOM 514 OD2 ASP A 32 4.856 -9.279 11.685 1.00 0.00 O ATOM 0 H ASP A 32 4.033 -6.250 8.021 1.00 0.00 H new ATOM 0 HA ASP A 32 5.454 -5.840 10.542 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.996 -7.950 9.298 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.657 -8.495 9.410 1.00 0.00 H new ATOM 519 N LYS A 33 6.947 -5.923 7.756 1.00 0.00 N ATOM 520 CA LYS A 33 8.238 -5.888 7.077 1.00 0.00 C ATOM 521 C LYS A 33 8.628 -4.455 6.725 1.00 0.00 C ATOM 522 O LYS A 33 9.720 -3.999 7.062 1.00 0.00 O ATOM 523 CB LYS A 33 8.194 -6.742 5.809 1.00 0.00 C ATOM 524 CG LYS A 33 8.035 -8.228 6.083 1.00 0.00 C ATOM 525 CD LYS A 33 9.079 -9.046 5.343 1.00 0.00 C ATOM 526 CE LYS A 33 8.435 -10.110 4.468 1.00 0.00 C ATOM 527 NZ LYS A 33 7.736 -11.147 5.277 1.00 0.00 N ATOM 0 H LYS A 33 6.169 -5.566 7.201 1.00 0.00 H new ATOM 0 HA LYS A 33 8.989 -6.295 7.755 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.368 -6.406 5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.110 -6.582 5.241 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.119 -8.412 7.154 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.038 -8.550 5.781 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.689 -8.387 4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.748 -9.520 6.061 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.724 -9.640 3.789 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.199 -10.584 3.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.398 -11.906 4.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.395 -11.543 5.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.926 -10.717 5.768 1.00 0.00 H new ATOM 541 N GLU A 34 7.728 -3.751 6.047 1.00 0.00 N ATOM 542 CA GLU A 34 7.979 -2.371 5.650 1.00 0.00 C ATOM 543 C GLU A 34 7.239 -1.399 6.562 1.00 0.00 C ATOM 544 O GLU A 34 7.107 -0.216 6.249 1.00 0.00 O ATOM 545 CB GLU A 34 7.551 -2.150 4.197 1.00 0.00 C ATOM 546 CG GLU A 34 8.638 -2.475 3.186 1.00 0.00 C ATOM 547 CD GLU A 34 8.951 -3.957 3.122 1.00 0.00 C ATOM 548 OE1 GLU A 34 8.206 -4.692 2.439 1.00 0.00 O ATOM 549 OE2 GLU A 34 9.940 -4.382 3.754 1.00 0.00 O ATOM 0 H GLU A 34 6.818 -4.113 5.761 1.00 0.00 H new ATOM 0 HA GLU A 34 9.049 -2.183 5.740 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.676 -2.765 3.987 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.248 -1.111 4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.327 -2.130 2.200 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.544 -1.927 3.444 1.00 0.00 H new ATOM 556 N GLY A 35 6.759 -1.905 7.694 1.00 0.00 N ATOM 557 CA GLY A 35 6.040 -1.066 8.634 1.00 0.00 C ATOM 558 C GLY A 35 5.013 -0.182 7.955 1.00 0.00 C ATOM 559 O GLY A 35 4.753 0.935 8.403 1.00 0.00 O ATOM 0 H GLY A 35 6.855 -2.880 7.976 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.542 -1.696 9.371 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.750 -0.442 9.176 1.00 0.00 H new ATOM 563 N ILE A 36 4.428 -0.681 6.869 1.00 0.00 N ATOM 564 CA ILE A 36 3.424 0.073 6.128 1.00 0.00 C ATOM 565 C ILE A 36 2.014 -0.356 6.521 1.00 0.00 C ATOM 566 O ILE A 36 1.676 -1.538 6.467 1.00 0.00 O ATOM 567 CB ILE A 36 3.597 -0.105 4.608 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.074 -0.297 4.259 1.00 0.00 C ATOM 569 CG2 ILE A 36 3.022 1.094 3.866 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.379 -0.101 2.790 1.00 0.00 C ATOM 0 H ILE A 36 4.632 -1.603 6.484 1.00 0.00 H new ATOM 0 HA ILE A 36 3.566 1.123 6.382 1.00 0.00 H new ATOM 0 HB ILE A 36 3.052 -0.996 4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.671 0.404 4.842 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.381 -1.300 4.555 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.151 0.954 2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.960 1.188 4.094 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.542 1.999 4.179 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.444 -0.253 2.616 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.809 -0.820 2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.103 0.911 2.493 1.00 0.00 H new ATOM 582 N PRO A 37 1.172 0.607 6.925 1.00 0.00 N ATOM 583 CA PRO A 37 -0.207 0.335 7.330 1.00 0.00 C ATOM 584 C PRO A 37 -1.141 0.166 6.136 1.00 0.00 C ATOM 585 O PRO A 37 -1.006 0.856 5.126 1.00 0.00 O ATOM 586 CB PRO A 37 -0.577 1.583 8.127 1.00 0.00 C ATOM 587 CG PRO A 37 0.225 2.674 7.506 1.00 0.00 C ATOM 588 CD PRO A 37 1.503 2.041 7.018 1.00 0.00 C ATOM 0 HA PRO A 37 -0.299 -0.596 7.890 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.645 1.791 8.065 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.336 1.465 9.183 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.319 3.135 6.682 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.434 3.462 8.230 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.806 2.445 6.052 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.326 2.217 7.710 1.00 0.00 H new ATOM 596 N PRO A 38 -2.106 -0.762 6.241 1.00 0.00 N ATOM 597 CA PRO A 38 -3.071 -1.027 5.168 1.00 0.00 C ATOM 598 C PRO A 38 -3.896 0.206 4.815 1.00 0.00 C ATOM 599 O PRO A 38 -4.424 0.316 3.708 1.00 0.00 O ATOM 600 CB PRO A 38 -3.975 -2.120 5.752 1.00 0.00 C ATOM 601 CG PRO A 38 -3.185 -2.727 6.862 1.00 0.00 C ATOM 602 CD PRO A 38 -2.329 -1.622 7.412 1.00 0.00 C ATOM 0 HA PRO A 38 -2.574 -1.318 4.242 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.913 -1.702 6.118 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.231 -2.864 4.998 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.841 -3.132 7.632 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.572 -3.552 6.499 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.831 -1.085 8.217 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.392 -2.002 7.818 1.00 0.00 H new ATOM 610 N ASP A 39 -4.002 1.130 5.763 1.00 0.00 N ATOM 611 CA ASP A 39 -4.764 2.357 5.554 1.00 0.00 C ATOM 612 C ASP A 39 -4.131 3.219 4.467 1.00 0.00 C ATOM 613 O ASP A 39 -4.795 4.063 3.866 1.00 0.00 O ATOM 614 CB ASP A 39 -4.858 3.148 6.860 1.00 0.00 C ATOM 615 CG ASP A 39 -5.615 2.396 7.938 1.00 0.00 C ATOM 616 OD1 ASP A 39 -6.069 1.265 7.666 1.00 0.00 O ATOM 617 OD2 ASP A 39 -5.754 2.939 9.053 1.00 0.00 O ATOM 0 H ASP A 39 -3.570 1.054 6.684 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.767 2.080 5.229 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.854 3.376 7.217 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.352 4.101 6.670 1.00 0.00 H new ATOM 622 N GLN A 40 -2.842 3.003 4.219 1.00 0.00 N ATOM 623 CA GLN A 40 -2.123 3.765 3.204 1.00 0.00 C ATOM 624 C GLN A 40 -1.439 2.837 2.204 1.00 0.00 C ATOM 625 O GLN A 40 -0.494 3.232 1.523 1.00 0.00 O ATOM 626 CB GLN A 40 -1.085 4.678 3.860 1.00 0.00 C ATOM 627 CG GLN A 40 -1.532 5.245 5.198 1.00 0.00 C ATOM 628 CD GLN A 40 -1.064 6.672 5.412 1.00 0.00 C ATOM 629 OE1 GLN A 40 -1.837 7.618 5.269 1.00 0.00 O ATOM 630 NE2 GLN A 40 0.208 6.831 5.758 1.00 0.00 N ATOM 0 H GLN A 40 -2.276 2.308 4.706 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.848 4.376 2.667 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.160 4.119 4.002 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.859 5.502 3.183 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.620 5.210 5.258 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.148 4.616 6.001 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.813 6.017 5.865 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.580 7.767 5.917 1.00 0.00 H new ATOM 639 N GLN A 41 -1.922 1.602 2.122 1.00 0.00 N ATOM 640 CA GLN A 41 -1.355 0.618 1.207 1.00 0.00 C ATOM 641 C GLN A 41 -2.123 0.585 -0.111 1.00 0.00 C ATOM 642 O GLN A 41 -3.335 0.371 -0.130 1.00 0.00 O ATOM 643 CB GLN A 41 -1.367 -0.770 1.847 1.00 0.00 C ATOM 644 CG GLN A 41 -0.096 -1.099 2.611 1.00 0.00 C ATOM 645 CD GLN A 41 -0.069 -2.531 3.105 1.00 0.00 C ATOM 646 OE1 GLN A 41 -0.133 -3.474 2.315 1.00 0.00 O ATOM 647 NE2 GLN A 41 0.025 -2.702 4.418 1.00 0.00 N ATOM 0 H GLN A 41 -2.705 1.258 2.678 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.326 0.910 0.999 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.217 -0.841 2.525 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.517 -1.518 1.069 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.766 -0.924 1.968 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.002 -0.423 3.461 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.076 -1.892 5.035 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.047 -3.644 4.809 1.00 0.00 H new ATOM 656 N ARG A 42 -1.408 0.795 -1.212 1.00 0.00 N ATOM 657 CA ARG A 42 -2.020 0.784 -2.536 1.00 0.00 C ATOM 658 C ARG A 42 -1.521 -0.405 -3.350 1.00 0.00 C ATOM 659 O ARG A 42 -0.474 -0.334 -3.994 1.00 0.00 O ATOM 660 CB ARG A 42 -1.714 2.088 -3.275 1.00 0.00 C ATOM 661 CG ARG A 42 -2.506 2.258 -4.562 1.00 0.00 C ATOM 662 CD ARG A 42 -3.389 3.494 -4.514 1.00 0.00 C ATOM 663 NE ARG A 42 -2.624 4.721 -4.725 1.00 0.00 N ATOM 664 CZ ARG A 42 -3.138 5.940 -4.593 1.00 0.00 C ATOM 665 NH1 ARG A 42 -4.411 6.094 -4.256 1.00 0.00 N ATOM 666 NH2 ARG A 42 -2.378 7.007 -4.801 1.00 0.00 N ATOM 0 H ARG A 42 -0.404 0.975 -1.213 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.099 0.693 -2.412 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.925 2.929 -2.614 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.649 2.124 -3.506 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.820 2.333 -5.406 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.123 1.375 -4.730 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.165 3.415 -5.275 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.893 3.542 -3.549 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.642 4.638 -4.988 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.999 5.276 -4.097 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.802 7.031 -4.156 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.399 6.893 -5.062 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.773 7.942 -4.700 1.00 0.00 H new ATOM 680 N LEU A 43 -2.276 -1.498 -3.314 1.00 0.00 N ATOM 681 CA LEU A 43 -1.907 -2.703 -4.047 1.00 0.00 C ATOM 682 C LEU A 43 -2.493 -2.687 -5.454 1.00 0.00 C ATOM 683 O LEU A 43 -3.710 -2.706 -5.632 1.00 0.00 O ATOM 684 CB LEU A 43 -2.389 -3.947 -3.298 1.00 0.00 C ATOM 685 CG LEU A 43 -2.107 -3.949 -1.794 1.00 0.00 C ATOM 686 CD1 LEU A 43 -2.695 -5.189 -1.142 1.00 0.00 C ATOM 687 CD2 LEU A 43 -0.610 -3.866 -1.535 1.00 0.00 C ATOM 0 H LEU A 43 -3.145 -1.574 -2.786 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.820 -2.730 -4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.463 -4.050 -3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.918 -4.824 -3.741 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.582 -3.073 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.484 -5.173 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.773 -5.206 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.250 -6.079 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.426 -3.868 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.114 -4.723 -1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.216 -2.947 -1.968 1.00 0.00 H new ATOM 699 N ILE A 44 -1.616 -2.654 -6.453 1.00 0.00 N ATOM 700 CA ILE A 44 -2.044 -2.637 -7.846 1.00 0.00 C ATOM 701 C ILE A 44 -1.388 -3.764 -8.634 1.00 0.00 C ATOM 702 O ILE A 44 -0.163 -3.871 -8.684 1.00 0.00 O ATOM 703 CB ILE A 44 -1.710 -1.292 -8.521 1.00 0.00 C ATOM 704 CG1 ILE A 44 -2.543 -0.167 -7.905 1.00 0.00 C ATOM 705 CG2 ILE A 44 -1.954 -1.379 -10.020 1.00 0.00 C ATOM 706 CD1 ILE A 44 -2.171 1.208 -8.416 1.00 0.00 C ATOM 0 H ILE A 44 -0.604 -2.639 -6.323 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.125 -2.776 -7.847 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.656 -1.070 -8.355 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.597 -0.350 -8.113 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.423 -0.188 -6.822 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.714 -0.422 -10.484 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.322 -2.158 -10.447 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.001 -1.619 -10.205 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.801 1.957 -7.937 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.126 1.412 -8.184 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.318 1.247 -9.495 1.00 0.00 H new ATOM 718 N PHE A 45 -2.212 -4.605 -9.252 1.00 0.00 N ATOM 719 CA PHE A 45 -1.713 -5.726 -10.038 1.00 0.00 C ATOM 720 C PHE A 45 -2.309 -5.712 -11.442 1.00 0.00 C ATOM 721 O PHE A 45 -3.528 -5.661 -11.609 1.00 0.00 O ATOM 722 CB PHE A 45 -2.043 -7.050 -9.345 1.00 0.00 C ATOM 723 CG PHE A 45 -1.437 -8.249 -10.017 1.00 0.00 C ATOM 724 CD1 PHE A 45 -0.153 -8.190 -10.546 1.00 0.00 C ATOM 725 CD2 PHE A 45 -2.151 -9.437 -10.121 1.00 0.00 C ATOM 726 CE1 PHE A 45 0.409 -9.295 -11.167 1.00 0.00 C ATOM 727 CE2 PHE A 45 -1.596 -10.545 -10.741 1.00 0.00 C ATOM 728 CZ PHE A 45 -0.314 -10.473 -11.265 1.00 0.00 C ATOM 0 H PHE A 45 -3.229 -4.530 -9.223 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.631 -5.627 -10.120 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.694 -7.007 -8.313 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.126 -7.172 -9.310 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.413 -7.273 -10.473 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.150 -9.497 -9.714 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.408 -9.238 -11.573 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.161 -11.463 -10.816 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.121 -11.335 -11.749 1.00 0.00 H new ATOM 738 N ALA A 46 -1.443 -5.759 -12.449 1.00 0.00 N ATOM 739 CA ALA A 46 -1.886 -5.750 -13.837 1.00 0.00 C ATOM 740 C ALA A 46 -2.920 -4.654 -14.074 1.00 0.00 C ATOM 741 O ALA A 46 -3.920 -4.868 -14.759 1.00 0.00 O ATOM 742 CB ALA A 46 -2.458 -7.108 -14.217 1.00 0.00 C ATOM 0 H ALA A 46 -0.431 -5.804 -12.329 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.022 -5.543 -14.468 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.785 -7.087 -15.257 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.692 -7.873 -14.093 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.308 -7.338 -13.574 1.00 0.00 H new ATOM 748 N GLY A 47 -2.672 -3.481 -13.501 1.00 0.00 N ATOM 749 CA GLY A 47 -3.591 -2.370 -13.661 1.00 0.00 C ATOM 750 C GLY A 47 -4.913 -2.605 -12.957 1.00 0.00 C ATOM 751 O GLY A 47 -5.958 -2.140 -13.412 1.00 0.00 O ATOM 0 H GLY A 47 -1.852 -3.280 -12.929 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.131 -1.463 -13.270 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.773 -2.203 -14.723 1.00 0.00 H new ATOM 755 N LYS A 48 -4.867 -3.331 -11.845 1.00 0.00 N ATOM 756 CA LYS A 48 -6.070 -3.631 -11.076 1.00 0.00 C ATOM 757 C LYS A 48 -5.776 -3.612 -9.579 1.00 0.00 C ATOM 758 O LYS A 48 -5.096 -4.497 -9.059 1.00 0.00 O ATOM 759 CB LYS A 48 -6.632 -4.994 -11.480 1.00 0.00 C ATOM 760 CG LYS A 48 -7.901 -4.906 -12.313 1.00 0.00 C ATOM 761 CD LYS A 48 -8.854 -6.049 -11.999 1.00 0.00 C ATOM 762 CE LYS A 48 -9.600 -6.509 -13.241 1.00 0.00 C ATOM 763 NZ LYS A 48 -10.878 -7.193 -12.899 1.00 0.00 N ATOM 0 H LYS A 48 -4.009 -3.723 -11.456 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.812 -2.862 -11.293 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.874 -5.538 -12.044 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.837 -5.574 -10.580 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.397 -3.954 -12.123 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.644 -4.925 -13.372 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.295 -6.885 -11.578 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.569 -5.730 -11.241 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.807 -5.650 -13.879 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.968 -7.187 -13.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.357 -7.491 -13.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.679 -8.027 -12.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.492 -6.538 -12.374 1.00 0.00 H new ATOM 777 N GLN A 49 -6.294 -2.599 -8.892 1.00 0.00 N ATOM 778 CA GLN A 49 -6.087 -2.466 -7.454 1.00 0.00 C ATOM 779 C GLN A 49 -6.909 -3.498 -6.688 1.00 0.00 C ATOM 780 O GLN A 49 -8.075 -3.736 -7.003 1.00 0.00 O ATOM 781 CB GLN A 49 -6.459 -1.056 -6.991 1.00 0.00 C ATOM 782 CG GLN A 49 -6.458 -0.892 -5.481 1.00 0.00 C ATOM 783 CD GLN A 49 -6.683 0.545 -5.051 1.00 0.00 C ATOM 784 OE1 GLN A 49 -7.707 1.149 -5.371 1.00 0.00 O ATOM 785 NE2 GLN A 49 -5.722 1.102 -4.323 1.00 0.00 N ATOM 0 H GLN A 49 -6.860 -1.859 -9.307 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.031 -2.642 -7.247 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.759 -0.343 -7.426 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.448 -0.806 -7.375 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.236 -1.522 -5.050 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.506 -1.242 -5.082 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.890 0.565 -4.080 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.816 2.067 -4.006 1.00 0.00 H new ATOM 794 N LEU A 50 -6.293 -4.108 -5.681 1.00 0.00 N ATOM 795 CA LEU A 50 -6.968 -5.115 -4.870 1.00 0.00 C ATOM 796 C LEU A 50 -7.928 -4.463 -3.881 1.00 0.00 C ATOM 797 O LEU A 50 -7.744 -3.310 -3.490 1.00 0.00 O ATOM 798 CB LEU A 50 -5.942 -5.966 -4.118 1.00 0.00 C ATOM 799 CG LEU A 50 -4.693 -6.335 -4.919 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.729 -7.141 -4.064 1.00 0.00 C ATOM 801 CD2 LEU A 50 -5.074 -7.109 -6.172 1.00 0.00 C ATOM 0 H LEU A 50 -5.328 -3.923 -5.407 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.543 -5.757 -5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.634 -5.428 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.427 -6.884 -3.788 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.193 -5.415 -5.222 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.846 -7.394 -4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.431 -6.551 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.217 -8.056 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.173 -7.364 -6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.597 -8.023 -5.890 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.725 -6.496 -6.795 1.00 0.00 H new ATOM 813 N GLU A 51 -8.953 -5.208 -3.481 1.00 0.00 N ATOM 814 CA GLU A 51 -9.945 -4.703 -2.539 1.00 0.00 C ATOM 815 C GLU A 51 -9.878 -5.464 -1.219 1.00 0.00 C ATOM 816 O GLU A 51 -10.083 -6.677 -1.178 1.00 0.00 O ATOM 817 CB GLU A 51 -11.349 -4.813 -3.136 1.00 0.00 C ATOM 818 CG GLU A 51 -11.469 -4.204 -4.523 1.00 0.00 C ATOM 819 CD GLU A 51 -12.880 -4.282 -5.074 1.00 0.00 C ATOM 820 OE1 GLU A 51 -13.811 -3.807 -4.390 1.00 0.00 O ATOM 821 OE2 GLU A 51 -13.052 -4.817 -6.189 1.00 0.00 O ATOM 0 H GLU A 51 -9.119 -6.164 -3.795 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.723 -3.654 -2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.633 -5.864 -3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.058 -4.321 -2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.154 -3.161 -4.486 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.789 -4.718 -5.202 1.00 0.00 H new ATOM 828 N ASP A 52 -9.591 -4.743 -0.139 1.00 0.00 N ATOM 829 CA ASP A 52 -9.497 -5.346 1.182 1.00 0.00 C ATOM 830 C ASP A 52 -10.755 -6.145 1.507 1.00 0.00 C ATOM 831 O ASP A 52 -11.796 -5.575 1.836 1.00 0.00 O ATOM 832 CB ASP A 52 -9.275 -4.265 2.239 1.00 0.00 C ATOM 833 CG ASP A 52 -9.935 -2.949 1.876 1.00 0.00 C ATOM 834 OD1 ASP A 52 -9.403 -2.242 0.993 1.00 0.00 O ATOM 835 OD2 ASP A 52 -10.983 -2.625 2.473 1.00 0.00 O ATOM 0 H ASP A 52 -9.419 -3.738 -0.156 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.647 -6.029 1.185 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.666 -4.612 3.195 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.205 -4.106 2.371 1.00 0.00 H new ATOM 840 N GLY A 53 -10.653 -7.467 1.414 1.00 0.00 N ATOM 841 CA GLY A 53 -11.789 -8.322 1.702 1.00 0.00 C ATOM 842 C GLY A 53 -11.874 -9.508 0.760 1.00 0.00 C ATOM 843 O GLY A 53 -12.630 -10.449 1.003 1.00 0.00 O ATOM 0 H GLY A 53 -9.803 -7.962 1.144 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.719 -8.681 2.729 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.707 -7.738 1.631 1.00 0.00 H new ATOM 847 N ARG A 54 -11.098 -9.460 -0.318 1.00 0.00 N ATOM 848 CA ARG A 54 -11.089 -10.538 -1.299 1.00 0.00 C ATOM 849 C ARG A 54 -9.847 -11.410 -1.139 1.00 0.00 C ATOM 850 O ARG A 54 -8.915 -11.051 -0.420 1.00 0.00 O ATOM 851 CB ARG A 54 -11.144 -9.964 -2.716 1.00 0.00 C ATOM 852 CG ARG A 54 -12.065 -8.763 -2.852 1.00 0.00 C ATOM 853 CD ARG A 54 -13.528 -9.165 -2.747 1.00 0.00 C ATOM 854 NE ARG A 54 -14.331 -8.140 -2.086 1.00 0.00 N ATOM 855 CZ ARG A 54 -15.653 -8.209 -1.963 1.00 0.00 C ATOM 856 NH1 ARG A 54 -16.314 -9.247 -2.455 1.00 0.00 N ATOM 857 NH2 ARG A 54 -16.315 -7.238 -1.347 1.00 0.00 N ATOM 0 H ARG A 54 -10.468 -8.687 -0.534 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.969 -11.158 -1.130 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.138 -9.676 -3.021 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.474 -10.744 -3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.831 -8.034 -2.076 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.889 -8.275 -3.811 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.926 -9.350 -3.745 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.608 -10.101 -2.194 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.852 -7.327 -1.698 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.808 -9.995 -2.929 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.328 -9.298 -2.359 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.810 -6.437 -0.967 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.329 -7.292 -1.253 1.00 0.00 H new ATOM 871 N THR A 55 -9.843 -12.556 -1.812 1.00 0.00 N ATOM 872 CA THR A 55 -8.715 -13.478 -1.742 1.00 0.00 C ATOM 873 C THR A 55 -7.772 -13.279 -2.924 1.00 0.00 C ATOM 874 O THR A 55 -8.129 -12.639 -3.914 1.00 0.00 O ATOM 875 CB THR A 55 -9.212 -14.924 -1.710 1.00 0.00 C ATOM 876 OG1 THR A 55 -9.835 -15.268 -2.935 1.00 0.00 O ATOM 877 CG2 THR A 55 -10.206 -15.190 -0.600 1.00 0.00 C ATOM 0 H THR A 55 -10.607 -12.868 -2.411 1.00 0.00 H new ATOM 0 HA THR A 55 -8.166 -13.269 -0.824 1.00 0.00 H new ATOM 0 HB THR A 55 -8.324 -15.531 -1.535 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.145 -16.197 -2.895 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.518 -16.234 -0.634 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.740 -14.982 0.363 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.076 -14.547 -0.729 1.00 0.00 H new ATOM 885 N LEU A 56 -6.568 -13.831 -2.815 1.00 0.00 N ATOM 886 CA LEU A 56 -5.574 -13.715 -3.875 1.00 0.00 C ATOM 887 C LEU A 56 -6.010 -14.485 -5.117 1.00 0.00 C ATOM 888 O LEU A 56 -5.809 -14.032 -6.244 1.00 0.00 O ATOM 889 CB LEU A 56 -4.218 -14.234 -3.390 1.00 0.00 C ATOM 890 CG LEU A 56 -3.582 -13.427 -2.257 1.00 0.00 C ATOM 891 CD1 LEU A 56 -2.069 -13.569 -2.285 1.00 0.00 C ATOM 892 CD2 LEU A 56 -3.983 -11.962 -2.356 1.00 0.00 C ATOM 0 H LEU A 56 -6.257 -14.363 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.480 -12.661 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.339 -15.265 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.529 -14.250 -4.235 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.946 -13.820 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.634 -12.988 -1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.800 -14.618 -2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.687 -13.202 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.522 -11.403 -1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.648 -11.557 -3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.067 -11.876 -2.286 1.00 0.00 H new ATOM 904 N SER A 57 -6.610 -15.652 -4.903 1.00 0.00 N ATOM 905 CA SER A 57 -7.077 -16.485 -6.004 1.00 0.00 C ATOM 906 C SER A 57 -8.029 -15.708 -6.910 1.00 0.00 C ATOM 907 O SER A 57 -7.916 -15.757 -8.134 1.00 0.00 O ATOM 908 CB SER A 57 -7.772 -17.738 -5.465 1.00 0.00 C ATOM 909 OG SER A 57 -9.057 -17.898 -6.040 1.00 0.00 O ATOM 0 H SER A 57 -6.784 -16.042 -3.977 1.00 0.00 H new ATOM 0 HA SER A 57 -6.210 -16.785 -6.593 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.163 -18.616 -5.680 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.862 -17.670 -4.381 1.00 0.00 H new ATOM 0 HG SER A 57 -9.478 -18.706 -5.680 1.00 0.00 H new ATOM 915 N ASP A 58 -8.967 -14.994 -6.297 1.00 0.00 N ATOM 916 CA ASP A 58 -9.941 -14.207 -7.046 1.00 0.00 C ATOM 917 C ASP A 58 -9.255 -13.367 -8.120 1.00 0.00 C ATOM 918 O ASP A 58 -9.847 -13.064 -9.156 1.00 0.00 O ATOM 919 CB ASP A 58 -10.730 -13.299 -6.101 1.00 0.00 C ATOM 920 CG ASP A 58 -11.506 -14.084 -5.061 1.00 0.00 C ATOM 921 OD1 ASP A 58 -11.739 -15.291 -5.279 1.00 0.00 O ATOM 922 OD2 ASP A 58 -11.884 -13.489 -4.029 1.00 0.00 O ATOM 0 H ASP A 58 -9.074 -14.944 -5.284 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.628 -14.898 -7.535 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.044 -12.616 -5.600 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.421 -12.687 -6.681 1.00 0.00 H new ATOM 927 N TYR A 59 -8.006 -12.994 -7.865 1.00 0.00 N ATOM 928 CA TYR A 59 -7.240 -12.189 -8.811 1.00 0.00 C ATOM 929 C TYR A 59 -6.320 -13.066 -9.654 1.00 0.00 C ATOM 930 O TYR A 59 -5.351 -12.583 -10.239 1.00 0.00 O ATOM 931 CB TYR A 59 -6.419 -11.134 -8.067 1.00 0.00 C ATOM 932 CG TYR A 59 -7.259 -10.074 -7.393 1.00 0.00 C ATOM 933 CD1 TYR A 59 -7.827 -9.035 -8.129 1.00 0.00 C ATOM 934 CD2 TYR A 59 -7.488 -10.110 -6.018 1.00 0.00 C ATOM 935 CE1 TYR A 59 -8.598 -8.061 -7.514 1.00 0.00 C ATOM 936 CE2 TYR A 59 -8.258 -9.140 -5.396 1.00 0.00 C ATOM 937 CZ TYR A 59 -8.811 -8.118 -6.148 1.00 0.00 C ATOM 938 OH TYR A 59 -9.575 -7.154 -5.533 1.00 0.00 O ATOM 0 H TYR A 59 -7.502 -13.236 -7.012 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.944 -11.689 -9.477 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.803 -11.629 -7.316 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.739 -10.653 -8.770 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.664 -8.988 -9.196 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.059 -10.906 -5.428 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.030 -7.262 -8.098 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.426 -9.181 -4.330 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.424 -7.547 -5.240 1.00 0.00 H new ATOM 948 N ASN A 60 -6.631 -14.357 -9.712 1.00 0.00 N ATOM 949 CA ASN A 60 -5.831 -15.301 -10.485 1.00 0.00 C ATOM 950 C ASN A 60 -4.342 -15.091 -10.229 1.00 0.00 C ATOM 951 O ASN A 60 -3.540 -15.058 -11.162 1.00 0.00 O ATOM 952 CB ASN A 60 -6.129 -15.153 -11.977 1.00 0.00 C ATOM 953 CG ASN A 60 -5.842 -13.755 -12.489 1.00 0.00 C ATOM 954 OD1 ASN A 60 -6.752 -12.940 -12.647 1.00 0.00 O ATOM 955 ND2 ASN A 60 -4.572 -13.468 -12.749 1.00 0.00 N ATOM 0 H ASN A 60 -7.430 -14.773 -9.234 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.097 -16.309 -10.167 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.531 -15.872 -12.537 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.175 -15.397 -12.161 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.319 -12.542 -13.094 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.850 -14.173 -12.604 1.00 0.00 H new ATOM 962 N LEU A 61 -3.979 -14.950 -8.958 1.00 0.00 N ATOM 963 CA LEU A 61 -2.586 -14.742 -8.580 1.00 0.00 C ATOM 964 C LEU A 61 -1.807 -16.052 -8.630 1.00 0.00 C ATOM 965 O LEU A 61 -2.105 -16.992 -7.893 1.00 0.00 O ATOM 966 CB LEU A 61 -2.503 -14.139 -7.178 1.00 0.00 C ATOM 967 CG LEU A 61 -2.948 -12.679 -7.075 1.00 0.00 C ATOM 968 CD1 LEU A 61 -2.777 -12.168 -5.652 1.00 0.00 C ATOM 969 CD2 LEU A 61 -2.169 -11.814 -8.053 1.00 0.00 C ATOM 0 H LEU A 61 -4.630 -14.976 -8.173 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.141 -14.049 -9.294 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.115 -14.738 -6.504 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.474 -14.215 -6.826 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.005 -12.622 -7.334 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.099 -11.128 -5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.381 -12.770 -4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.728 -12.239 -5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.499 -10.779 -7.966 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.105 -11.876 -7.826 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.344 -12.166 -9.070 1.00 0.00 H new ATOM 981 N GLN A 62 -0.806 -16.107 -9.504 1.00 0.00 N ATOM 982 CA GLN A 62 0.017 -17.302 -9.649 1.00 0.00 C ATOM 983 C GLN A 62 1.319 -17.163 -8.866 1.00 0.00 C ATOM 984 O GLN A 62 1.615 -16.102 -8.318 1.00 0.00 O ATOM 985 CB GLN A 62 0.320 -17.559 -11.127 1.00 0.00 C ATOM 986 CG GLN A 62 -0.836 -18.194 -11.881 1.00 0.00 C ATOM 987 CD GLN A 62 -0.693 -19.698 -12.010 1.00 0.00 C ATOM 988 OE1 GLN A 62 -0.425 -20.218 -13.093 1.00 0.00 O ATOM 989 NE2 GLN A 62 -0.874 -20.406 -10.901 1.00 0.00 N ATOM 0 H GLN A 62 -0.546 -15.338 -10.122 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.538 -18.149 -9.246 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.581 -16.615 -11.606 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.193 -18.207 -11.203 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.770 -17.964 -11.367 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.902 -17.753 -12.875 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.095 -19.933 -10.025 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.792 -21.422 -10.926 1.00 0.00 H new ATOM 998 N LYS A 63 2.092 -18.243 -8.819 1.00 0.00 N ATOM 999 CA LYS A 63 3.362 -18.242 -8.102 1.00 0.00 C ATOM 1000 C LYS A 63 4.382 -17.348 -8.801 1.00 0.00 C ATOM 1001 O LYS A 63 4.735 -17.578 -9.956 1.00 0.00 O ATOM 1002 CB LYS A 63 3.908 -19.666 -7.988 1.00 0.00 C ATOM 1003 CG LYS A 63 5.143 -19.775 -7.108 1.00 0.00 C ATOM 1004 CD LYS A 63 5.072 -20.989 -6.196 1.00 0.00 C ATOM 1005 CE LYS A 63 6.459 -21.483 -5.818 1.00 0.00 C ATOM 1006 NZ LYS A 63 7.136 -22.164 -6.956 1.00 0.00 N ATOM 0 H LYS A 63 1.862 -19.129 -9.268 1.00 0.00 H new ATOM 0 HA LYS A 63 3.185 -17.847 -7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.128 -20.314 -7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.149 -20.035 -8.985 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.033 -19.841 -7.734 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.243 -18.872 -6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.516 -20.735 -5.293 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.523 -21.788 -6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.066 -20.641 -5.486 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.382 -22.172 -4.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.943 -22.716 -6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.463 -22.800 -7.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.475 -21.452 -7.634 1.00 0.00 H new ATOM 1020 N GLU A 64 4.852 -16.328 -8.089 1.00 0.00 N ATOM 1021 CA GLU A 64 5.831 -15.399 -8.640 1.00 0.00 C ATOM 1022 C GLU A 64 5.147 -14.303 -9.452 1.00 0.00 C ATOM 1023 O GLU A 64 5.140 -14.341 -10.682 1.00 0.00 O ATOM 1024 CB GLU A 64 6.837 -16.146 -9.517 1.00 0.00 C ATOM 1025 CG GLU A 64 7.312 -17.458 -8.912 1.00 0.00 C ATOM 1026 CD GLU A 64 8.775 -17.421 -8.516 1.00 0.00 C ATOM 1027 OE1 GLU A 64 9.632 -17.711 -9.379 1.00 0.00 O ATOM 1028 OE2 GLU A 64 9.066 -17.104 -7.344 1.00 0.00 O ATOM 0 H GLU A 64 4.570 -16.125 -7.130 1.00 0.00 H new ATOM 0 HA GLU A 64 6.359 -14.933 -7.808 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.383 -16.346 -10.488 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.699 -15.504 -9.695 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.708 -17.689 -8.035 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.154 -18.263 -9.629 1.00 0.00 H new ATOM 1035 N SER A 65 4.572 -13.329 -8.754 1.00 0.00 N ATOM 1036 CA SER A 65 3.885 -12.223 -9.411 1.00 0.00 C ATOM 1037 C SER A 65 4.508 -10.886 -9.020 1.00 0.00 C ATOM 1038 O SER A 65 4.950 -10.703 -7.886 1.00 0.00 O ATOM 1039 CB SER A 65 2.398 -12.232 -9.049 1.00 0.00 C ATOM 1040 OG SER A 65 1.675 -13.120 -9.884 1.00 0.00 O ATOM 0 H SER A 65 4.568 -13.283 -7.735 1.00 0.00 H new ATOM 0 HA SER A 65 3.990 -12.351 -10.488 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.276 -12.527 -8.007 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.991 -11.225 -9.145 1.00 0.00 H new ATOM 0 HG SER A 65 1.017 -12.615 -10.406 1.00 0.00 H new ATOM 1046 N THR A 66 4.540 -9.955 -9.969 1.00 0.00 N ATOM 1047 CA THR A 66 5.109 -8.635 -9.725 1.00 0.00 C ATOM 1048 C THR A 66 4.010 -7.595 -9.528 1.00 0.00 C ATOM 1049 O THR A 66 3.510 -7.016 -10.492 1.00 0.00 O ATOM 1050 CB THR A 66 6.012 -8.225 -10.889 1.00 0.00 C ATOM 1051 OG1 THR A 66 6.859 -9.294 -11.267 1.00 0.00 O ATOM 1052 CG2 THR A 66 6.890 -7.033 -10.575 1.00 0.00 C ATOM 0 H THR A 66 4.179 -10.091 -10.913 1.00 0.00 H new ATOM 0 HA THR A 66 5.703 -8.686 -8.812 1.00 0.00 H new ATOM 0 HB THR A 66 5.334 -7.953 -11.698 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.427 -9.013 -12.014 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.505 -6.795 -11.443 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.264 -6.175 -10.328 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.534 -7.269 -9.728 1.00 0.00 H new ATOM 1060 N ILE A 67 3.639 -7.363 -8.273 1.00 0.00 N ATOM 1061 CA ILE A 67 2.600 -6.394 -7.949 1.00 0.00 C ATOM 1062 C ILE A 67 3.203 -5.036 -7.605 1.00 0.00 C ATOM 1063 O ILE A 67 4.243 -4.955 -6.951 1.00 0.00 O ATOM 1064 CB ILE A 67 1.730 -6.873 -6.770 1.00 0.00 C ATOM 1065 CG1 ILE A 67 0.891 -8.083 -7.185 1.00 0.00 C ATOM 1066 CG2 ILE A 67 0.835 -5.745 -6.278 1.00 0.00 C ATOM 1067 CD1 ILE A 67 1.667 -9.382 -7.198 1.00 0.00 C ATOM 0 H ILE A 67 4.043 -7.834 -7.463 1.00 0.00 H new ATOM 0 HA ILE A 67 1.973 -6.296 -8.835 1.00 0.00 H new ATOM 0 HB ILE A 67 2.386 -7.172 -5.953 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.047 -8.181 -6.503 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.479 -7.906 -8.178 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.227 -6.100 -5.446 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.452 -4.909 -5.947 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.184 -5.417 -7.089 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.009 -10.196 -7.501 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.496 -9.304 -7.902 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.057 -9.583 -6.200 1.00 0.00 H new ATOM 1079 N HIS A 68 2.542 -3.972 -8.049 1.00 0.00 N ATOM 1080 CA HIS A 68 3.012 -2.615 -7.788 1.00 0.00 C ATOM 1081 C HIS A 68 2.318 -2.025 -6.566 1.00 0.00 C ATOM 1082 O HIS A 68 1.098 -1.858 -6.553 1.00 0.00 O ATOM 1083 CB HIS A 68 2.769 -1.726 -9.008 1.00 0.00 C ATOM 1084 CG HIS A 68 3.617 -2.085 -10.188 1.00 0.00 C ATOM 1085 ND1 HIS A 68 4.332 -1.153 -10.913 1.00 0.00 N ATOM 1086 CD2 HIS A 68 3.865 -3.282 -10.770 1.00 0.00 C ATOM 1087 CE1 HIS A 68 4.981 -1.763 -11.888 1.00 0.00 C ATOM 1088 NE2 HIS A 68 4.716 -3.054 -11.823 1.00 0.00 N ATOM 0 H HIS A 68 1.679 -4.022 -8.591 1.00 0.00 H new ATOM 0 HA HIS A 68 4.083 -2.659 -7.588 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.719 -1.792 -9.292 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.961 -0.688 -8.735 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.467 -4.238 -10.463 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.621 -1.286 -12.616 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.084 -3.767 -12.453 1.00 0.00 H new ATOM 1097 N LEU A 69 3.102 -1.711 -5.540 1.00 0.00 N ATOM 1098 CA LEU A 69 2.563 -1.138 -4.312 1.00 0.00 C ATOM 1099 C LEU A 69 2.853 0.354 -4.233 1.00 0.00 C ATOM 1100 O LEU A 69 4.008 0.770 -4.152 1.00 0.00 O ATOM 1101 CB LEU A 69 3.150 -1.850 -3.092 1.00 0.00 C ATOM 1102 CG LEU A 69 2.873 -1.168 -1.750 1.00 0.00 C ATOM 1103 CD1 LEU A 69 1.614 -1.733 -1.114 1.00 0.00 C ATOM 1104 CD2 LEU A 69 4.064 -1.327 -0.817 1.00 0.00 C ATOM 0 H LEU A 69 4.113 -1.844 -5.535 1.00 0.00 H new ATOM 0 HA LEU A 69 1.482 -1.278 -4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.753 -2.864 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.229 -1.935 -3.224 1.00 0.00 H new ATOM 0 HG LEU A 69 2.717 -0.104 -1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.433 -1.236 -0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.765 -1.566 -1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.739 -2.803 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.850 -0.836 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.252 -2.387 -0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.945 -0.872 -1.270 1.00 0.00 H new ATOM 1116 N VAL A 70 1.794 1.155 -4.257 1.00 0.00 N ATOM 1117 CA VAL A 70 1.932 2.603 -4.189 1.00 0.00 C ATOM 1118 C VAL A 70 1.572 3.122 -2.802 1.00 0.00 C ATOM 1119 O VAL A 70 0.811 2.493 -2.068 1.00 0.00 O ATOM 1120 CB VAL A 70 1.046 3.306 -5.234 1.00 0.00 C ATOM 1121 CG1 VAL A 70 1.698 4.598 -5.701 1.00 0.00 C ATOM 1122 CG2 VAL A 70 0.770 2.383 -6.410 1.00 0.00 C ATOM 0 H VAL A 70 0.831 0.825 -4.323 1.00 0.00 H new ATOM 0 HA VAL A 70 2.977 2.830 -4.402 1.00 0.00 H new ATOM 0 HB VAL A 70 0.092 3.554 -4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.059 5.082 -6.439 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.837 5.264 -4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.666 4.376 -6.150 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.142 2.898 -7.137 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.712 2.100 -6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.257 1.488 -6.058 1.00 0.00 H new ATOM 1132 N LEU A 71 2.125 4.276 -2.455 1.00 0.00 N ATOM 1133 CA LEU A 71 1.868 4.889 -1.156 1.00 0.00 C ATOM 1134 C LEU A 71 0.868 6.034 -1.285 1.00 0.00 C ATOM 1135 O LEU A 71 1.174 7.077 -1.865 1.00 0.00 O ATOM 1136 CB LEU A 71 3.172 5.404 -0.545 1.00 0.00 C ATOM 1137 CG LEU A 71 3.322 5.161 0.958 1.00 0.00 C ATOM 1138 CD1 LEU A 71 2.137 5.745 1.713 1.00 0.00 C ATOM 1139 CD2 LEU A 71 3.462 3.675 1.246 1.00 0.00 C ATOM 0 H LEU A 71 2.755 4.808 -3.055 1.00 0.00 H new ATOM 0 HA LEU A 71 1.443 4.129 -0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.008 4.931 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.246 6.475 -0.734 1.00 0.00 H new ATOM 0 HG LEU A 71 4.227 5.663 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.260 5.563 2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.083 6.818 1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.217 5.272 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.568 3.521 2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.576 3.150 0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.343 3.287 0.735 1.00 0.00 H new ATOM 1151 N ARG A 72 -0.327 5.834 -0.741 1.00 0.00 N ATOM 1152 CA ARG A 72 -1.372 6.850 -0.794 1.00 0.00 C ATOM 1153 C ARG A 72 -0.790 8.240 -0.557 1.00 0.00 C ATOM 1154 O ARG A 72 -0.502 8.617 0.579 1.00 0.00 O ATOM 1155 CB ARG A 72 -2.454 6.553 0.246 1.00 0.00 C ATOM 1156 CG ARG A 72 -3.672 7.455 0.132 1.00 0.00 C ATOM 1157 CD ARG A 72 -4.923 6.770 0.656 1.00 0.00 C ATOM 1158 NE ARG A 72 -5.950 7.732 1.050 1.00 0.00 N ATOM 1159 CZ ARG A 72 -5.846 8.529 2.108 1.00 0.00 C ATOM 1160 NH1 ARG A 72 -4.765 8.478 2.875 1.00 0.00 N ATOM 1161 NH2 ARG A 72 -6.822 9.378 2.400 1.00 0.00 N ATOM 0 H ARG A 72 -0.597 4.977 -0.258 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.818 6.827 -1.788 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.770 5.515 0.143 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.026 6.658 1.243 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.498 8.375 0.691 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.820 7.738 -0.910 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.322 6.108 -0.112 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.663 6.146 1.511 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.794 7.795 0.481 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.012 7.826 2.653 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.686 9.090 3.687 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.654 9.420 1.812 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.740 9.989 3.213 1.00 0.00 H new ATOM 1175 N LEU A 73 -0.620 8.997 -1.636 1.00 0.00 N ATOM 1176 CA LEU A 73 -0.072 10.345 -1.544 1.00 0.00 C ATOM 1177 C LEU A 73 -1.076 11.298 -0.908 1.00 0.00 C ATOM 1178 O LEU A 73 -0.724 12.403 -0.495 1.00 0.00 O ATOM 1179 CB LEU A 73 0.324 10.851 -2.931 1.00 0.00 C ATOM 1180 CG LEU A 73 1.333 9.975 -3.677 1.00 0.00 C ATOM 1181 CD1 LEU A 73 0.850 9.693 -5.091 1.00 0.00 C ATOM 1182 CD2 LEU A 73 2.700 10.639 -3.700 1.00 0.00 C ATOM 0 H LEU A 73 -0.854 8.700 -2.583 1.00 0.00 H new ATOM 0 HA LEU A 73 0.815 10.308 -0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.576 10.940 -3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.741 11.853 -2.830 1.00 0.00 H new ATOM 0 HG LEU A 73 1.422 9.025 -3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.580 9.069 -5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.108 9.174 -5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.732 10.633 -5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.405 10.002 -4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.628 11.603 -4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.049 10.789 -2.678 1.00 0.00 H new ATOM 1194 N ARG A 74 -2.328 10.860 -0.832 1.00 0.00 N ATOM 1195 CA ARG A 74 -3.391 11.669 -0.246 1.00 0.00 C ATOM 1196 C ARG A 74 -4.758 11.220 -0.751 1.00 0.00 C ATOM 1197 O ARG A 74 -5.405 10.365 -0.144 1.00 0.00 O ATOM 1198 CB ARG A 74 -3.177 13.148 -0.570 1.00 0.00 C ATOM 1199 CG ARG A 74 -2.601 13.948 0.587 1.00 0.00 C ATOM 1200 CD ARG A 74 -1.627 15.009 0.103 1.00 0.00 C ATOM 1201 NE ARG A 74 -1.727 16.240 0.882 1.00 0.00 N ATOM 1202 CZ ARG A 74 -0.920 17.283 0.718 1.00 0.00 C ATOM 1203 NH1 ARG A 74 0.041 17.243 -0.195 1.00 0.00 N ATOM 1204 NH2 ARG A 74 -1.073 18.367 1.467 1.00 0.00 N ATOM 0 H ARG A 74 -2.632 9.947 -1.170 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.359 11.534 0.835 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.508 13.230 -1.426 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.129 13.588 -0.866 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.411 14.422 1.141 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.093 13.275 1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.610 14.622 0.165 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.821 15.228 -0.947 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.457 16.303 1.592 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.161 16.411 -0.773 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.660 18.044 -0.320 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.811 18.401 2.170 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.453 19.167 1.340 1.00 0.00 H new ATOM 1218 N GLY A 75 -5.193 11.800 -1.864 1.00 0.00 N ATOM 1219 CA GLY A 75 -6.481 11.446 -2.430 1.00 0.00 C ATOM 1220 C GLY A 75 -6.357 10.784 -3.789 1.00 0.00 C ATOM 1221 O GLY A 75 -7.341 10.663 -4.519 1.00 0.00 O ATOM 0 H GLY A 75 -4.677 12.509 -2.384 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.001 10.773 -1.748 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.093 12.343 -2.521 1.00 0.00 H new ATOM 1225 N GLY A 76 -5.147 10.354 -4.127 1.00 0.00 N ATOM 1226 CA GLY A 76 -4.922 9.705 -5.406 1.00 0.00 C ATOM 1227 C GLY A 76 -5.607 10.425 -6.551 1.00 0.00 C ATOM 1228 O GLY A 76 -5.132 11.513 -6.937 1.00 0.00 O ATOM 1229 OXT GLY A 76 -6.619 9.900 -7.061 1.00 0.00 O ATOM 0 H GLY A 76 -4.318 10.443 -3.539 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.851 9.656 -5.601 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.285 8.678 -5.358 1.00 0.00 H new TER 1233 GLY A 76