USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 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 NoAdj-H: A 11 ARG H : A 11 ARG N : A 110 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 77 GLU H : A 77 GLU N : A 176 RCY C1L :(H bumps) USER MOD NoAdj-H: A 110 RCYH1VA : A 110 RCY C1V : A 11 ARG CD :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCYH1CA : A 110 RCY C1C : A 11 ARG CG :(H bumps) USER MOD NoAdj-H: A 110 RCY H1C : A 110 RCY C1C : A 11 ARG CG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1CA : A 138 RCY C1C : A 187 RCY O1H :(H bumps) USER MOD NoAdj-H: A 138 RCY H1U : A 138 RCY C1U : A 187 RCY C1C :(H bumps) USER MOD NoAdj-H: A 138 RCY H1C : A 138 RCY C1C : A 187 RCY O1H :(H bumps) USER MOD NoAdj-H: A 150 RCYH1ZA : A 150 RCY C1Z : A 173 RCY C1P :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YB : A 150 RCY C1Y : A 173 RCY O1G :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YA : A 150 RCY C1Y : A 173 RCY C1M :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Z : A 150 RCY C1Z : A 173 RCY C1P :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Y : A 150 RCY C1Y : A 173 RCY C1M :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1MA : A 160 RCY C1M : A 168 RCY N1V :(H bumps) USER MOD NoAdj-H: A 160 RCYH1LA : A 160 RCY C1L : A 59 GLY O :(H bumps) USER MOD NoAdj-H: A 160 RCY H1U : A 160 RCY C1U : A 168 RCY C1X :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YB : A 168 RCY C1Y : A 160 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YA : A 168 RCY C1Y : A 160 RCY N1R :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VB : A 168 RCY C1V : A 160 RCY N1V :(H bumps) USER MOD NoAdj-H: A 168 RCYH1VA : A 168 RCY C1V : A 160 RCY C1W :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCY H1V : A 168 RCY C1V : A 160 RCY C1V :(H bumps) USER MOD NoAdj-H: A 168 RCY H1C : A 168 RCY C1C : A 160 RCY C1W :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 160 RCY O1J :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 150 RCY O1J :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1LA : A 173 RCY C1L : A 150 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 150 RCY O1J :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 150 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1LA : A 176 RCY C1L : A 76 CYS C :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1CB : A 187 RCY C1C : A 138 RCY C1X :(H bumps) USER MOD NoAdj-H: A 187 RCYH1CA : A 187 RCY C1C : A 138 RCY C1U :(H bumps) USER MOD NoAdj-H: A 187 RCY H1C : A 187 RCY C1C : A 138 RCY C1U :(H bumps) USER MOD Single : A 1 MET CE :methyl -159:sc= -0.165 (180deg=-1.42) USER MOD Single : A 1 MET N :NH3+ -149:sc= -0.909 (180deg=-3.26!) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.903 F(o=-3.7!,f=-0.9) USER MOD Single : A 7 LYS NZ :NH3+ -141:sc= -0.0101 (180deg=-0.137) USER MOD Single : A 12 SER OG : rot 180:sc= -0.504 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00232 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 62:sc= 0.993 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.00669) USER MOD Single : A 31 LYS NZ :NH3+ -158:sc= -0.156 (180deg=-0.959) USER MOD Single : A 32 GLN : amide:sc= -0.151 K(o=-0.15,f=-2.4!) USER MOD Single : A 34 GLN : amide:sc= -0.0937 K(o=-0.094,f=-2!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0596 USER MOD Single : A 37 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.0097) USER MOD Single : A 39 LYS NZ :NH3+ -163:sc= -0.0438 (180deg=-0.427) USER MOD Single : A 40 SER OG : rot 180:sc= -4.01! USER MOD Single : A 41 LYS NZ :NH3+ -118:sc= 0.921 (180deg=-1.76!) USER MOD Single : A 44 LYS NZ :NH3+ -111:sc= -2.35! (180deg=-2.93!) USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= -0.154 (180deg=-0.985) USER MOD Single : A 48 GLN : amide:sc= -0.45 K(o=-0.45,f=-1.8) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 74 ASN :FLIP amide:sc= -0.694 F(o=-3.5!,f=-0.69) USER MOD Single : A 75 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-1.8!) USER MOD Single : A 79 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.37) USER MOD Single : A 83 GLN :FLIP amide:sc= -37.1! C(o=-39!,f=-37!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 60.319 8.273 21.841 1.00 1.00 N ATOM 2 CA MET A 1 59.199 8.230 22.821 1.00 1.00 C ATOM 3 C MET A 1 58.468 6.890 22.707 1.00 1.00 C ATOM 4 O MET A 1 58.636 6.010 23.527 1.00 1.00 O ATOM 5 CB MET A 1 58.220 9.370 22.529 1.00 1.00 C ATOM 6 CG MET A 1 58.998 10.670 22.318 1.00 1.00 C ATOM 7 SD MET A 1 57.888 12.081 22.550 1.00 1.00 S ATOM 8 CE MET A 1 56.562 11.509 21.459 1.00 1.00 C ATOM 0 H1 MET A 1 61.091 8.857 22.222 1.00 1.00 H new ATOM 0 H2 MET A 1 60.667 7.308 21.669 1.00 1.00 H new ATOM 0 H3 MET A 1 59.982 8.684 20.947 1.00 1.00 H new ATOM 0 HA MET A 1 59.597 8.341 23.829 1.00 1.00 H new ATOM 0 HB2 MET A 1 57.630 9.139 21.642 1.00 1.00 H new ATOM 0 HB3 MET A 1 57.520 9.483 23.357 1.00 1.00 H new ATOM 0 HG2 MET A 1 59.829 10.728 23.021 1.00 1.00 H new ATOM 0 HG3 MET A 1 59.427 10.691 21.316 1.00 1.00 H new ATOM 0 HE1 MET A 1 55.951 12.358 21.153 1.00 1.00 H new ATOM 0 HE2 MET A 1 56.995 11.037 20.577 1.00 1.00 H new ATOM 0 HE3 MET A 1 55.941 10.787 21.989 1.00 1.00 H new ATOM 17 N ASN A 2 57.656 6.730 21.695 1.00 1.00 N ATOM 18 CA ASN A 2 56.910 5.448 21.527 1.00 1.00 C ATOM 19 C ASN A 2 57.639 4.556 20.520 1.00 1.00 C ATOM 20 O ASN A 2 58.474 3.754 20.885 1.00 1.00 O ATOM 21 CB ASN A 2 55.499 5.746 21.014 1.00 1.00 C ATOM 22 CG ASN A 2 54.759 4.431 20.762 1.00 1.00 C ATOM 23 OD1 ASN A 2 55.290 3.310 21.166 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 53.686 4.424 20.191 1.00 1.00 N flip ATOM 0 H ASN A 2 57.477 7.432 20.977 1.00 1.00 H new ATOM 0 HA ASN A 2 56.851 4.935 22.487 1.00 1.00 H new ATOM 0 HB2 ASN A 2 54.955 6.348 21.742 1.00 1.00 H new ATOM 0 HB3 ASN A 2 55.551 6.329 20.094 1.00 1.00 H new ATOM 0 HD21 ASN A 2 53.271 5.300 19.875 1.00 1.00 H new ATOM 0 HD22 ASN A 2 53.201 3.542 20.028 1.00 1.00 H new ATOM 31 N LEU A 3 57.320 4.694 19.255 1.00 1.00 N ATOM 32 CA LEU A 3 57.975 3.864 18.193 1.00 1.00 C ATOM 33 C LEU A 3 58.540 2.573 18.792 1.00 1.00 C ATOM 34 O LEU A 3 59.681 2.220 18.567 1.00 1.00 O ATOM 35 CB LEU A 3 59.106 4.660 17.527 1.00 1.00 C ATOM 36 CG LEU A 3 59.976 5.320 18.599 1.00 1.00 C ATOM 37 CD1 LEU A 3 61.409 5.455 18.082 1.00 1.00 C ATOM 38 CD2 LEU A 3 59.419 6.708 18.922 1.00 1.00 C ATOM 0 H LEU A 3 56.625 5.355 18.909 1.00 1.00 H new ATOM 0 HA LEU A 3 57.225 3.607 17.446 1.00 1.00 H new ATOM 0 HB2 LEU A 3 59.713 3.999 16.909 1.00 1.00 H new ATOM 0 HB3 LEU A 3 58.688 5.420 16.866 1.00 1.00 H new ATOM 0 HG LEU A 3 59.971 4.706 19.500 1.00 1.00 H new ATOM 0 HD11 LEU A 3 62.029 5.925 18.846 1.00 1.00 H new ATOM 0 HD12 LEU A 3 61.807 4.467 17.850 1.00 1.00 H new ATOM 0 HD13 LEU A 3 61.415 6.069 17.182 1.00 1.00 H new ATOM 0 HD21 LEU A 3 60.038 7.180 19.686 1.00 1.00 H new ATOM 0 HD22 LEU A 3 59.425 7.321 18.021 1.00 1.00 H new ATOM 0 HD23 LEU A 3 58.397 6.613 19.290 1.00 1.00 H new ATOM 50 N GLU A 4 57.749 1.864 19.550 1.00 1.00 N ATOM 51 CA GLU A 4 58.241 0.596 20.159 1.00 1.00 C ATOM 52 C GLU A 4 58.733 -0.337 19.047 1.00 1.00 C ATOM 53 O GLU A 4 58.232 -0.302 17.940 1.00 1.00 O ATOM 54 CB GLU A 4 57.097 -0.077 20.924 1.00 1.00 C ATOM 55 CG GLU A 4 55.912 -0.297 19.982 1.00 1.00 C ATOM 56 CD GLU A 4 54.667 -0.647 20.800 1.00 1.00 C ATOM 57 OE1 GLU A 4 54.259 0.176 21.602 1.00 1.00 O ATOM 58 OE2 GLU A 4 54.144 -1.733 20.609 1.00 1.00 O ATOM 0 H GLU A 4 56.784 2.108 19.774 1.00 1.00 H new ATOM 0 HA GLU A 4 59.060 0.810 20.846 1.00 1.00 H new ATOM 0 HB2 GLU A 4 57.431 -1.030 21.334 1.00 1.00 H new ATOM 0 HB3 GLU A 4 56.794 0.544 21.767 1.00 1.00 H new ATOM 0 HG2 GLU A 4 55.731 0.601 19.392 1.00 1.00 H new ATOM 0 HG3 GLU A 4 56.136 -1.100 19.280 1.00 1.00 H new ATOM 65 N PRO A 5 59.706 -1.166 19.332 1.00 1.00 N ATOM 66 CA PRO A 5 60.263 -2.116 18.333 1.00 1.00 C ATOM 67 C PRO A 5 59.174 -2.697 17.417 1.00 1.00 C ATOM 68 O PRO A 5 58.117 -3.080 17.877 1.00 1.00 O ATOM 69 CB PRO A 5 60.877 -3.210 19.206 1.00 1.00 C ATOM 70 CG PRO A 5 61.301 -2.512 20.458 1.00 1.00 C ATOM 71 CD PRO A 5 60.381 -1.297 20.633 1.00 1.00 C ATOM 0 HA PRO A 5 60.974 -1.641 17.657 1.00 1.00 H new ATOM 0 HB2 PRO A 5 60.154 -3.998 19.419 1.00 1.00 H new ATOM 0 HB3 PRO A 5 61.725 -3.681 18.710 1.00 1.00 H new ATOM 0 HG2 PRO A 5 61.224 -3.180 21.316 1.00 1.00 H new ATOM 0 HG3 PRO A 5 62.343 -2.199 20.390 1.00 1.00 H new ATOM 0 HD2 PRO A 5 59.665 -1.453 21.440 1.00 1.00 H new ATOM 0 HD3 PRO A 5 60.949 -0.400 20.880 1.00 1.00 H new ATOM 79 N PRO A 6 59.424 -2.763 16.131 1.00 1.00 N ATOM 80 CA PRO A 6 58.438 -3.308 15.152 1.00 1.00 C ATOM 81 C PRO A 6 58.344 -4.836 15.220 1.00 1.00 C ATOM 82 O PRO A 6 59.188 -5.493 15.796 1.00 1.00 O ATOM 83 CB PRO A 6 58.990 -2.860 13.797 1.00 1.00 C ATOM 84 CG PRO A 6 60.463 -2.734 14.006 1.00 1.00 C ATOM 85 CD PRO A 6 60.666 -2.331 15.470 1.00 1.00 C ATOM 0 HA PRO A 6 57.427 -2.951 15.347 1.00 1.00 H new ATOM 0 HB2 PRO A 6 58.762 -3.587 13.017 1.00 1.00 H new ATOM 0 HB3 PRO A 6 58.552 -1.911 13.486 1.00 1.00 H new ATOM 0 HG2 PRO A 6 60.967 -3.676 13.790 1.00 1.00 H new ATOM 0 HG3 PRO A 6 60.887 -1.986 13.336 1.00 1.00 H new ATOM 0 HD2 PRO A 6 61.539 -2.820 15.902 1.00 1.00 H new ATOM 0 HD3 PRO A 6 60.820 -1.257 15.571 1.00 1.00 H new ATOM 93 N LYS A 7 57.322 -5.402 14.635 1.00 1.00 N ATOM 94 CA LYS A 7 57.168 -6.887 14.660 1.00 1.00 C ATOM 95 C LYS A 7 58.526 -7.550 14.428 1.00 1.00 C ATOM 96 O LYS A 7 59.232 -7.889 15.357 1.00 1.00 O ATOM 97 CB LYS A 7 56.193 -7.313 13.559 1.00 1.00 C ATOM 98 CG LYS A 7 55.921 -8.814 13.670 1.00 1.00 C ATOM 99 CD LYS A 7 55.037 -9.261 12.503 1.00 1.00 C ATOM 100 CE LYS A 7 55.919 -9.648 11.314 1.00 1.00 C ATOM 101 NZ LYS A 7 56.515 -10.992 11.554 1.00 1.00 N ATOM 0 H LYS A 7 56.585 -4.899 14.140 1.00 1.00 H new ATOM 0 HA LYS A 7 56.780 -7.196 15.631 1.00 1.00 H new ATOM 0 HB2 LYS A 7 55.260 -6.756 13.649 1.00 1.00 H new ATOM 0 HB3 LYS A 7 56.610 -7.080 12.579 1.00 1.00 H new ATOM 0 HG2 LYS A 7 56.861 -9.366 13.660 1.00 1.00 H new ATOM 0 HG3 LYS A 7 55.430 -9.036 14.618 1.00 1.00 H new ATOM 0 HD2 LYS A 7 54.421 -10.108 12.803 1.00 1.00 H new ATOM 0 HD3 LYS A 7 54.357 -8.458 12.219 1.00 1.00 H new ATOM 0 HE2 LYS A 7 55.329 -9.659 10.398 1.00 1.00 H new ATOM 0 HE3 LYS A 7 56.707 -8.908 11.176 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 57.497 -11.002 11.213 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 56.500 -11.201 12.573 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 55.964 -11.712 11.044 1.00 1.00 H new ATOM 115 N ALA A 8 58.896 -7.734 13.195 1.00 1.00 N ATOM 116 CA ALA A 8 60.208 -8.372 12.895 1.00 1.00 C ATOM 117 C ALA A 8 60.591 -8.086 11.442 1.00 1.00 C ATOM 118 O ALA A 8 60.794 -6.952 11.056 1.00 1.00 O ATOM 119 CB ALA A 8 60.101 -9.884 13.111 1.00 1.00 C ATOM 0 H ALA A 8 58.346 -7.470 12.378 1.00 1.00 H new ATOM 0 HA ALA A 8 60.972 -7.966 13.558 1.00 1.00 H new ATOM 0 HB1 ALA A 8 61.061 -10.352 12.892 1.00 1.00 H new ATOM 0 HB2 ALA A 8 59.828 -10.085 14.147 1.00 1.00 H new ATOM 0 HB3 ALA A 8 59.338 -10.293 12.449 1.00 1.00 H new ATOM 125 N GLU A 9 60.692 -9.103 10.631 1.00 1.00 N ATOM 126 CA GLU A 9 61.062 -8.883 9.204 1.00 1.00 C ATOM 127 C GLU A 9 60.948 -10.208 8.442 1.00 1.00 C ATOM 128 O GLU A 9 61.861 -11.009 8.429 1.00 1.00 O ATOM 129 CB GLU A 9 62.505 -8.354 9.130 1.00 1.00 C ATOM 130 CG GLU A 9 62.528 -7.042 8.343 1.00 1.00 C ATOM 131 CD GLU A 9 62.009 -7.288 6.925 1.00 1.00 C ATOM 132 OE1 GLU A 9 62.631 -8.058 6.212 1.00 1.00 O ATOM 133 OE2 GLU A 9 60.997 -6.701 6.576 1.00 1.00 O ATOM 0 H GLU A 9 60.535 -10.076 10.894 1.00 1.00 H new ATOM 0 HA GLU A 9 60.390 -8.153 8.754 1.00 1.00 H new ATOM 0 HB2 GLU A 9 62.897 -8.195 10.134 1.00 1.00 H new ATOM 0 HB3 GLU A 9 63.149 -9.090 8.649 1.00 1.00 H new ATOM 0 HG2 GLU A 9 61.911 -6.295 8.843 1.00 1.00 H new ATOM 0 HG3 GLU A 9 63.543 -6.645 8.307 1.00 1.00 H new ATOM 140 N CYS A 10 59.832 -10.444 7.807 1.00 1.00 N ATOM 141 CA CYS A 10 59.661 -11.715 7.049 1.00 1.00 C ATOM 142 C CYS A 10 60.257 -11.559 5.648 1.00 1.00 C ATOM 143 O CYS A 10 61.424 -11.260 5.493 1.00 1.00 O ATOM 144 CB CYS A 10 58.171 -12.046 6.935 1.00 1.00 C ATOM 145 SG CYS A 10 57.968 -13.625 6.074 1.00 1.00 S ATOM 0 H CYS A 10 59.032 -9.812 7.781 1.00 1.00 H new ATOM 0 HA CYS A 10 60.173 -12.521 7.574 1.00 1.00 H new ATOM 0 HB2 CYS A 10 57.723 -12.100 7.927 1.00 1.00 H new ATOM 0 HB3 CYS A 10 57.652 -11.255 6.394 1.00 1.00 H new ATOM 150 N ARG A 11 59.459 -11.762 4.627 1.00 1.00 N ATOM 151 CA ARG A 11 59.959 -11.634 3.222 1.00 1.00 C ATOM 152 C ARG A 11 61.445 -12.002 3.157 1.00 1.00 C ATOM 153 O ARG A 11 62.263 -11.245 2.673 1.00 1.00 O ATOM 154 CB ARG A 11 59.757 -10.197 2.725 1.00 1.00 C ATOM 155 CG ARG A 11 60.044 -9.215 3.863 1.00 1.00 C ATOM 156 CD ARG A 11 59.915 -7.782 3.346 1.00 1.00 C ATOM 157 NE ARG A 11 59.766 -6.849 4.498 1.00 1.00 N ATOM 158 CZ ARG A 11 59.991 -5.573 4.339 1.00 1.00 C ATOM 159 NH1 ARG A 11 60.345 -5.114 3.169 1.00 1.00 N ATOM 160 NH2 ARG A 11 59.860 -4.757 5.348 1.00 1.00 N ATOM 0 HA ARG A 11 59.397 -12.316 2.584 1.00 1.00 H new ATOM 0 HB2 ARG A 11 60.419 -9.996 1.883 1.00 1.00 H new ATOM 0 HB3 ARG A 11 58.736 -10.066 2.367 1.00 1.00 H new ATOM 0 HG2 ARG A 11 59.347 -9.380 4.685 1.00 1.00 H new ATOM 0 HG3 ARG A 11 61.047 -9.382 4.257 1.00 1.00 H new ATOM 0 HD2 ARG A 11 60.794 -7.515 2.760 1.00 1.00 H new ATOM 0 HD3 ARG A 11 59.053 -7.699 2.684 1.00 1.00 H new ATOM 0 HE ARG A 11 59.488 -7.208 5.412 1.00 1.00 H new ATOM 0 HH11 ARG A 11 60.446 -5.752 2.380 1.00 1.00 H new ATOM 0 HH12 ARG A 11 60.521 -4.117 3.044 1.00 1.00 H new ATOM 0 HH21 ARG A 11 59.582 -5.116 6.261 1.00 1.00 H new ATOM 0 HH22 ARG A 11 60.036 -3.760 5.224 1.00 1.00 H new ATOM 174 N SER A 12 61.798 -13.159 3.646 1.00 1.00 N ATOM 175 CA SER A 12 63.226 -13.579 3.616 1.00 1.00 C ATOM 176 C SER A 12 63.323 -15.069 3.952 1.00 1.00 C ATOM 177 O SER A 12 62.405 -15.828 3.716 1.00 1.00 O ATOM 178 CB SER A 12 64.016 -12.772 4.647 1.00 1.00 C ATOM 179 OG SER A 12 63.923 -13.411 5.913 1.00 1.00 O ATOM 0 H SER A 12 61.157 -13.832 4.066 1.00 1.00 H new ATOM 0 HA SER A 12 63.638 -13.401 2.623 1.00 1.00 H new ATOM 0 HB2 SER A 12 65.060 -12.693 4.342 1.00 1.00 H new ATOM 0 HB3 SER A 12 63.624 -11.757 4.709 1.00 1.00 H new ATOM 0 HG SER A 12 64.429 -12.898 6.577 1.00 1.00 H new ATOM 185 N ALA A 13 64.428 -15.493 4.503 1.00 1.00 N ATOM 186 CA ALA A 13 64.584 -16.933 4.857 1.00 1.00 C ATOM 187 C ALA A 13 64.725 -17.765 3.578 1.00 1.00 C ATOM 188 O ALA A 13 65.386 -18.785 3.561 1.00 1.00 O ATOM 189 CB ALA A 13 63.356 -17.401 5.646 1.00 1.00 C ATOM 0 H ALA A 13 65.231 -14.903 4.724 1.00 1.00 H new ATOM 0 HA ALA A 13 65.477 -17.062 5.469 1.00 1.00 H new ATOM 0 HB1 ALA A 13 63.469 -18.454 5.905 1.00 1.00 H new ATOM 0 HB2 ALA A 13 63.263 -16.811 6.558 1.00 1.00 H new ATOM 0 HB3 ALA A 13 62.461 -17.272 5.037 1.00 1.00 H new ATOM 195 N THR A 14 64.110 -17.340 2.509 1.00 1.00 N ATOM 196 CA THR A 14 64.210 -18.109 1.236 1.00 1.00 C ATOM 197 C THR A 14 65.597 -17.900 0.622 1.00 1.00 C ATOM 198 O THR A 14 65.775 -17.990 -0.576 1.00 1.00 O ATOM 199 CB THR A 14 63.135 -17.620 0.260 1.00 1.00 C ATOM 200 OG1 THR A 14 61.939 -17.345 0.975 1.00 1.00 O ATOM 201 CG2 THR A 14 62.868 -18.699 -0.791 1.00 1.00 C ATOM 0 H THR A 14 63.543 -16.494 2.462 1.00 1.00 H new ATOM 0 HA THR A 14 64.060 -19.170 1.437 1.00 1.00 H new ATOM 0 HB THR A 14 63.479 -16.712 -0.235 1.00 1.00 H new ATOM 0 HG1 THR A 14 61.251 -17.030 0.352 1.00 1.00 H new ATOM 0 HG21 THR A 14 62.103 -18.350 -1.485 1.00 1.00 H new ATOM 0 HG22 THR A 14 63.787 -18.908 -1.339 1.00 1.00 H new ATOM 0 HG23 THR A 14 62.524 -19.609 -0.299 1.00 1.00 H new ATOM 209 N ARG A 15 66.580 -17.620 1.434 1.00 1.00 N ATOM 210 CA ARG A 15 67.955 -17.404 0.901 1.00 1.00 C ATOM 211 C ARG A 15 67.946 -16.230 -0.082 1.00 1.00 C ATOM 212 O ARG A 15 68.378 -15.139 0.236 1.00 1.00 O ATOM 213 CB ARG A 15 68.434 -18.671 0.184 1.00 1.00 C ATOM 214 CG ARG A 15 69.956 -18.630 0.036 1.00 1.00 C ATOM 215 CD ARG A 15 70.404 -19.714 -0.946 1.00 1.00 C ATOM 216 NE ARG A 15 70.323 -19.187 -2.338 1.00 1.00 N ATOM 217 CZ ARG A 15 69.288 -19.468 -3.082 1.00 1.00 C ATOM 218 NH1 ARG A 15 68.325 -20.210 -2.608 1.00 1.00 N ATOM 219 NH2 ARG A 15 69.217 -19.006 -4.301 1.00 1.00 N ATOM 0 H ARG A 15 66.490 -17.531 2.446 1.00 1.00 H new ATOM 0 HA ARG A 15 68.631 -17.179 1.726 1.00 1.00 H new ATOM 0 HB2 ARG A 15 68.137 -19.555 0.748 1.00 1.00 H new ATOM 0 HB3 ARG A 15 67.965 -18.746 -0.797 1.00 1.00 H new ATOM 0 HG2 ARG A 15 70.271 -17.649 -0.320 1.00 1.00 H new ATOM 0 HG3 ARG A 15 70.430 -18.784 1.005 1.00 1.00 H new ATOM 0 HD2 ARG A 15 71.425 -20.024 -0.722 1.00 1.00 H new ATOM 0 HD3 ARG A 15 69.773 -20.597 -0.843 1.00 1.00 H new ATOM 0 HE ARG A 15 71.076 -18.607 -2.709 1.00 1.00 H new ATOM 0 HH11 ARG A 15 68.381 -20.571 -1.656 1.00 1.00 H new ATOM 0 HH12 ARG A 15 67.516 -20.429 -3.190 1.00 1.00 H new ATOM 0 HH21 ARG A 15 69.970 -18.426 -4.671 1.00 1.00 H new ATOM 0 HH22 ARG A 15 68.409 -19.225 -4.883 1.00 1.00 H new ATOM 233 N VAL A 16 67.459 -16.443 -1.274 1.00 1.00 N ATOM 234 CA VAL A 16 67.424 -15.338 -2.273 1.00 1.00 C ATOM 235 C VAL A 16 66.459 -15.714 -3.403 1.00 1.00 C ATOM 236 O VAL A 16 66.123 -16.867 -3.587 1.00 1.00 O ATOM 237 CB VAL A 16 68.851 -15.107 -2.818 1.00 1.00 C ATOM 238 CG1 VAL A 16 68.899 -15.481 -4.301 1.00 1.00 C ATOM 239 CG2 VAL A 16 69.225 -13.632 -2.654 1.00 1.00 C ATOM 0 H VAL A 16 67.084 -17.334 -1.599 1.00 1.00 H new ATOM 0 HA VAL A 16 67.074 -14.415 -1.811 1.00 1.00 H new ATOM 0 HB VAL A 16 69.556 -15.727 -2.264 1.00 1.00 H new ATOM 0 HG11 VAL A 16 69.906 -15.318 -4.685 1.00 1.00 H new ATOM 0 HG12 VAL A 16 68.631 -16.531 -4.420 1.00 1.00 H new ATOM 0 HG13 VAL A 16 68.194 -14.861 -4.856 1.00 1.00 H new ATOM 0 HG21 VAL A 16 70.232 -13.467 -3.038 1.00 1.00 H new ATOM 0 HG22 VAL A 16 68.519 -13.014 -3.209 1.00 1.00 H new ATOM 0 HG23 VAL A 16 69.191 -13.363 -1.598 1.00 1.00 H new ATOM 249 N MET A 17 66.012 -14.750 -4.161 1.00 1.00 N ATOM 250 CA MET A 17 65.071 -15.055 -5.276 1.00 1.00 C ATOM 251 C MET A 17 65.610 -16.236 -6.088 1.00 1.00 C ATOM 252 O MET A 17 65.096 -17.335 -6.018 1.00 1.00 O ATOM 253 CB MET A 17 64.937 -13.823 -6.180 1.00 1.00 C ATOM 254 CG MET A 17 64.282 -14.224 -7.503 1.00 1.00 C ATOM 255 SD MET A 17 62.840 -15.267 -7.170 1.00 1.00 S ATOM 256 CE MET A 17 61.648 -13.930 -6.910 1.00 1.00 C ATOM 0 H MET A 17 66.257 -13.765 -4.057 1.00 1.00 H new ATOM 0 HA MET A 17 64.093 -15.313 -4.870 1.00 1.00 H new ATOM 0 HB2 MET A 17 64.339 -13.059 -5.684 1.00 1.00 H new ATOM 0 HB3 MET A 17 65.919 -13.388 -6.366 1.00 1.00 H new ATOM 0 HG2 MET A 17 63.981 -13.335 -8.056 1.00 1.00 H new ATOM 0 HG3 MET A 17 64.996 -14.761 -8.127 1.00 1.00 H new ATOM 0 HE1 MET A 17 60.669 -14.354 -6.686 1.00 1.00 H new ATOM 0 HE2 MET A 17 61.974 -13.309 -6.076 1.00 1.00 H new ATOM 0 HE3 MET A 17 61.582 -13.321 -7.812 1.00 1.00 H new ATOM 266 N GLY A 18 66.641 -16.019 -6.858 1.00 1.00 N ATOM 267 CA GLY A 18 67.208 -17.131 -7.672 1.00 1.00 C ATOM 268 C GLY A 18 68.511 -16.675 -8.332 1.00 1.00 C ATOM 269 O GLY A 18 68.978 -15.574 -8.115 1.00 1.00 O ATOM 0 H GLY A 18 67.115 -15.121 -6.959 1.00 1.00 H new ATOM 0 HA2 GLY A 18 67.394 -17.999 -7.040 1.00 1.00 H new ATOM 0 HA3 GLY A 18 66.492 -17.439 -8.434 1.00 1.00 H new ATOM 273 N GLY A 19 69.102 -17.516 -9.137 1.00 1.00 N ATOM 274 CA GLY A 19 70.376 -17.141 -9.813 1.00 1.00 C ATOM 275 C GLY A 19 70.080 -16.499 -11.173 1.00 1.00 C ATOM 276 O GLY A 19 70.642 -15.479 -11.517 1.00 1.00 O ATOM 0 H GLY A 19 68.756 -18.450 -9.356 1.00 1.00 H new ATOM 0 HA2 GLY A 19 70.938 -16.446 -9.188 1.00 1.00 H new ATOM 0 HA3 GLY A 19 71.000 -18.025 -9.947 1.00 1.00 H new ATOM 280 N PRO A 20 69.207 -17.096 -11.944 1.00 1.00 N ATOM 281 CA PRO A 20 68.838 -16.576 -13.293 1.00 1.00 C ATOM 282 C PRO A 20 68.519 -15.076 -13.274 1.00 1.00 C ATOM 283 O PRO A 20 67.377 -14.673 -13.179 1.00 1.00 O ATOM 284 CB PRO A 20 67.600 -17.395 -13.668 1.00 1.00 C ATOM 285 CG PRO A 20 67.744 -18.676 -12.917 1.00 1.00 C ATOM 286 CD PRO A 20 68.479 -18.334 -11.618 1.00 1.00 C ATOM 0 HA PRO A 20 69.656 -16.677 -14.007 1.00 1.00 H new ATOM 0 HB2 PRO A 20 66.683 -16.875 -13.390 1.00 1.00 H new ATOM 0 HB3 PRO A 20 67.553 -17.570 -14.743 1.00 1.00 H new ATOM 0 HG2 PRO A 20 66.769 -19.115 -12.707 1.00 1.00 H new ATOM 0 HG3 PRO A 20 68.304 -19.407 -13.500 1.00 1.00 H new ATOM 0 HD2 PRO A 20 67.784 -18.184 -10.792 1.00 1.00 H new ATOM 0 HD3 PRO A 20 69.159 -19.132 -11.321 1.00 1.00 H new ATOM 294 N CYS A 21 69.527 -14.249 -13.363 1.00 1.00 N ATOM 295 CA CYS A 21 69.298 -12.775 -13.352 1.00 1.00 C ATOM 296 C CYS A 21 70.195 -12.116 -14.404 1.00 1.00 C ATOM 297 O CYS A 21 71.280 -12.584 -14.686 1.00 1.00 O ATOM 298 CB CYS A 21 69.638 -12.219 -11.967 1.00 1.00 C ATOM 299 SG CYS A 21 68.801 -10.631 -11.732 1.00 1.00 S ATOM 0 H CYS A 21 70.503 -14.533 -13.443 1.00 1.00 H new ATOM 0 HA CYS A 21 68.253 -12.564 -13.581 1.00 1.00 H new ATOM 0 HB2 CYS A 21 69.328 -12.923 -11.195 1.00 1.00 H new ATOM 0 HB3 CYS A 21 70.716 -12.092 -11.869 1.00 1.00 H new ATOM 304 N THR A 22 69.754 -11.031 -14.987 1.00 1.00 N ATOM 305 CA THR A 22 70.589 -10.346 -16.020 1.00 1.00 C ATOM 306 C THR A 22 70.494 -8.826 -15.837 1.00 1.00 C ATOM 307 O THR A 22 69.573 -8.197 -16.318 1.00 1.00 O ATOM 308 CB THR A 22 70.068 -10.716 -17.412 1.00 1.00 C ATOM 309 OG1 THR A 22 68.841 -10.042 -17.650 1.00 1.00 O ATOM 310 CG2 THR A 22 69.847 -12.228 -17.491 1.00 1.00 C ATOM 0 H THR A 22 68.855 -10.591 -14.793 1.00 1.00 H new ATOM 0 HA THR A 22 71.627 -10.660 -15.914 1.00 1.00 H new ATOM 0 HB THR A 22 70.798 -10.419 -18.165 1.00 1.00 H new ATOM 0 HG1 THR A 22 68.991 -9.074 -17.631 1.00 1.00 H new ATOM 0 HG21 THR A 22 69.476 -12.490 -18.482 1.00 1.00 H new ATOM 0 HG22 THR A 22 70.790 -12.744 -17.308 1.00 1.00 H new ATOM 0 HG23 THR A 22 69.117 -12.529 -16.739 1.00 1.00 H new ATOM 318 N PRO A 23 71.447 -8.236 -15.157 1.00 1.00 N ATOM 319 CA PRO A 23 71.474 -6.761 -14.924 1.00 1.00 C ATOM 320 C PRO A 23 71.529 -5.974 -16.238 1.00 1.00 C ATOM 321 O PRO A 23 71.671 -6.538 -17.304 1.00 1.00 O ATOM 322 CB PRO A 23 72.755 -6.526 -14.109 1.00 1.00 C ATOM 323 CG PRO A 23 73.139 -7.862 -13.561 1.00 1.00 C ATOM 324 CD PRO A 23 72.596 -8.909 -14.535 1.00 1.00 C ATOM 0 HA PRO A 23 70.573 -6.421 -14.413 1.00 1.00 H new ATOM 0 HB2 PRO A 23 73.548 -6.118 -14.736 1.00 1.00 H new ATOM 0 HB3 PRO A 23 72.582 -5.809 -13.306 1.00 1.00 H new ATOM 0 HG2 PRO A 23 74.222 -7.945 -13.467 1.00 1.00 H new ATOM 0 HG3 PRO A 23 72.721 -8.006 -12.565 1.00 1.00 H new ATOM 0 HD2 PRO A 23 73.343 -9.194 -15.276 1.00 1.00 H new ATOM 0 HD3 PRO A 23 72.296 -9.820 -14.018 1.00 1.00 H new ATOM 332 N ARG A 24 71.427 -4.675 -16.168 1.00 1.00 N ATOM 333 CA ARG A 24 71.482 -3.857 -17.411 1.00 1.00 C ATOM 334 C ARG A 24 71.542 -2.374 -17.042 1.00 1.00 C ATOM 335 O ARG A 24 72.586 -1.754 -17.091 1.00 1.00 O ATOM 336 CB ARG A 24 70.237 -4.129 -18.262 1.00 1.00 C ATOM 337 CG ARG A 24 70.476 -3.636 -19.690 1.00 1.00 C ATOM 338 CD ARG A 24 69.417 -4.231 -20.621 1.00 1.00 C ATOM 339 NE ARG A 24 69.717 -3.842 -22.027 1.00 1.00 N ATOM 340 CZ ARG A 24 69.170 -4.496 -23.016 1.00 1.00 C ATOM 341 NH1 ARG A 24 68.361 -5.490 -22.772 1.00 1.00 N ATOM 342 NH2 ARG A 24 69.432 -4.156 -24.248 1.00 1.00 N ATOM 0 H ARG A 24 71.308 -4.146 -15.304 1.00 1.00 H new ATOM 0 HA ARG A 24 72.371 -4.123 -17.982 1.00 1.00 H new ATOM 0 HB2 ARG A 24 70.013 -5.196 -18.267 1.00 1.00 H new ATOM 0 HB3 ARG A 24 69.372 -3.624 -17.832 1.00 1.00 H new ATOM 0 HG2 ARG A 24 70.433 -2.547 -19.722 1.00 1.00 H new ATOM 0 HG3 ARG A 24 71.472 -3.925 -20.024 1.00 1.00 H new ATOM 0 HD2 ARG A 24 69.404 -5.317 -20.528 1.00 1.00 H new ATOM 0 HD3 ARG A 24 68.427 -3.875 -20.337 1.00 1.00 H new ATOM 0 HE ARG A 24 70.350 -3.065 -22.217 1.00 1.00 H new ATOM 0 HH11 ARG A 24 68.156 -5.756 -21.809 1.00 1.00 H new ATOM 0 HH12 ARG A 24 67.934 -6.001 -23.544 1.00 1.00 H new ATOM 0 HH21 ARG A 24 70.064 -3.379 -24.439 1.00 1.00 H new ATOM 0 HH22 ARG A 24 69.004 -4.667 -25.020 1.00 1.00 H new ATOM 356 N LYS A 25 70.432 -1.799 -16.670 1.00 1.00 N ATOM 357 CA LYS A 25 70.431 -0.357 -16.296 1.00 1.00 C ATOM 358 C LYS A 25 71.098 0.455 -17.412 1.00 1.00 C ATOM 359 O LYS A 25 71.247 -0.011 -18.524 1.00 1.00 O ATOM 360 CB LYS A 25 71.201 -0.176 -14.980 1.00 1.00 C ATOM 361 CG LYS A 25 70.242 -0.347 -13.800 1.00 1.00 C ATOM 362 CD LYS A 25 69.608 -1.738 -13.854 1.00 1.00 C ATOM 363 CE LYS A 25 68.766 -1.965 -12.597 1.00 1.00 C ATOM 364 NZ LYS A 25 67.847 -3.117 -12.816 1.00 1.00 N ATOM 0 H LYS A 25 69.527 -2.265 -16.609 1.00 1.00 H new ATOM 0 HA LYS A 25 69.407 -0.007 -16.163 1.00 1.00 H new ATOM 0 HB2 LYS A 25 72.008 -0.906 -14.915 1.00 1.00 H new ATOM 0 HB3 LYS A 25 71.661 0.812 -14.948 1.00 1.00 H new ATOM 0 HG2 LYS A 25 70.778 -0.217 -12.860 1.00 1.00 H new ATOM 0 HG3 LYS A 25 69.467 0.419 -13.834 1.00 1.00 H new ATOM 0 HD2 LYS A 25 68.985 -1.831 -14.743 1.00 1.00 H new ATOM 0 HD3 LYS A 25 70.384 -2.500 -13.927 1.00 1.00 H new ATOM 0 HE2 LYS A 25 69.414 -2.160 -11.743 1.00 1.00 H new ATOM 0 HE3 LYS A 25 68.193 -1.068 -12.364 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 67.274 -3.272 -11.962 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 67.220 -2.913 -13.621 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 68.404 -3.972 -13.019 1.00 1.00 H new ATOM 378 N GLY A 26 71.494 1.666 -17.127 1.00 1.00 N ATOM 379 CA GLY A 26 72.143 2.507 -18.173 1.00 1.00 C ATOM 380 C GLY A 26 73.331 1.759 -18.784 1.00 1.00 C ATOM 381 O GLY A 26 73.520 0.581 -18.555 1.00 1.00 O ATOM 0 H GLY A 26 71.396 2.110 -16.214 1.00 1.00 H new ATOM 0 HA2 GLY A 26 71.421 2.756 -18.951 1.00 1.00 H new ATOM 0 HA3 GLY A 26 72.480 3.448 -17.738 1.00 1.00 H new ATOM 385 N PRO A 27 74.124 2.450 -19.560 1.00 1.00 N ATOM 386 CA PRO A 27 75.321 1.859 -20.230 1.00 1.00 C ATOM 387 C PRO A 27 76.231 1.121 -19.238 1.00 1.00 C ATOM 388 O PRO A 27 76.137 1.317 -18.042 1.00 1.00 O ATOM 389 CB PRO A 27 76.044 3.075 -20.826 1.00 1.00 C ATOM 390 CG PRO A 27 74.996 4.126 -20.980 1.00 1.00 C ATOM 391 CD PRO A 27 73.961 3.876 -19.883 1.00 1.00 C ATOM 0 HA PRO A 27 75.044 1.113 -20.975 1.00 1.00 H new ATOM 0 HB2 PRO A 27 76.847 3.414 -20.171 1.00 1.00 H new ATOM 0 HB3 PRO A 27 76.498 2.830 -21.786 1.00 1.00 H new ATOM 0 HG2 PRO A 27 75.429 5.122 -20.884 1.00 1.00 H new ATOM 0 HG3 PRO A 27 74.536 4.072 -21.966 1.00 1.00 H new ATOM 0 HD2 PRO A 27 74.142 4.506 -19.012 1.00 1.00 H new ATOM 0 HD3 PRO A 27 72.951 4.094 -20.230 1.00 1.00 H new ATOM 399 N PRO A 28 77.106 0.281 -19.728 1.00 1.00 N ATOM 400 CA PRO A 28 78.045 -0.491 -18.868 1.00 1.00 C ATOM 401 C PRO A 28 78.614 0.357 -17.726 1.00 1.00 C ATOM 402 O PRO A 28 78.568 1.571 -17.765 1.00 1.00 O ATOM 403 CB PRO A 28 79.148 -0.908 -19.839 1.00 1.00 C ATOM 404 CG PRO A 28 78.470 -1.021 -21.165 1.00 1.00 C ATOM 405 CD PRO A 28 77.302 -0.028 -21.154 1.00 1.00 C ATOM 0 HA PRO A 28 77.558 -1.332 -18.375 1.00 1.00 H new ATOM 0 HB2 PRO A 28 79.950 -0.170 -19.867 1.00 1.00 H new ATOM 0 HB3 PRO A 28 79.597 -1.856 -19.543 1.00 1.00 H new ATOM 0 HG2 PRO A 28 79.164 -0.792 -21.974 1.00 1.00 H new ATOM 0 HG3 PRO A 28 78.112 -2.037 -21.330 1.00 1.00 H new ATOM 0 HD2 PRO A 28 77.536 0.869 -21.728 1.00 1.00 H new ATOM 0 HD3 PRO A 28 76.405 -0.463 -21.594 1.00 1.00 H new ATOM 413 N LYS A 29 79.145 -0.276 -16.712 1.00 1.00 N ATOM 414 CA LYS A 29 79.718 0.477 -15.554 1.00 1.00 C ATOM 415 C LYS A 29 78.612 1.281 -14.859 1.00 1.00 C ATOM 416 O LYS A 29 78.652 1.498 -13.664 1.00 1.00 O ATOM 417 CB LYS A 29 80.830 1.427 -16.037 1.00 1.00 C ATOM 418 CG LYS A 29 82.183 0.719 -15.939 1.00 1.00 C ATOM 419 CD LYS A 29 82.210 -0.467 -16.906 1.00 1.00 C ATOM 420 CE LYS A 29 83.530 -1.224 -16.748 1.00 1.00 C ATOM 421 NZ LYS A 29 83.451 -2.117 -15.557 1.00 1.00 N ATOM 0 H LYS A 29 79.207 -1.291 -16.635 1.00 1.00 H new ATOM 0 HA LYS A 29 80.144 -0.234 -14.846 1.00 1.00 H new ATOM 0 HB2 LYS A 29 80.641 1.732 -17.066 1.00 1.00 H new ATOM 0 HB3 LYS A 29 80.837 2.334 -15.432 1.00 1.00 H new ATOM 0 HG2 LYS A 29 82.988 1.415 -16.178 1.00 1.00 H new ATOM 0 HG3 LYS A 29 82.352 0.374 -14.919 1.00 1.00 H new ATOM 0 HD2 LYS A 29 81.370 -1.133 -16.705 1.00 1.00 H new ATOM 0 HD3 LYS A 29 82.100 -0.116 -17.932 1.00 1.00 H new ATOM 0 HE2 LYS A 29 83.734 -1.811 -17.643 1.00 1.00 H new ATOM 0 HE3 LYS A 29 84.354 -0.520 -16.634 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 84.367 -2.122 -15.065 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 82.714 -1.770 -14.911 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 83.217 -3.083 -15.862 1.00 1.00 H new ATOM 435 N CYS A 30 77.626 1.720 -15.592 1.00 1.00 N ATOM 436 CA CYS A 30 76.521 2.504 -14.972 1.00 1.00 C ATOM 437 C CYS A 30 77.093 3.749 -14.291 1.00 1.00 C ATOM 438 O CYS A 30 77.873 3.659 -13.364 1.00 1.00 O ATOM 439 CB CYS A 30 75.797 1.640 -13.937 1.00 1.00 C ATOM 440 SG CYS A 30 74.150 2.324 -13.628 1.00 1.00 S ATOM 0 H CYS A 30 77.538 1.569 -16.597 1.00 1.00 H new ATOM 0 HA CYS A 30 75.816 2.808 -15.746 1.00 1.00 H new ATOM 0 HB2 CYS A 30 75.715 0.614 -14.297 1.00 1.00 H new ATOM 0 HB3 CYS A 30 76.369 1.608 -13.010 1.00 1.00 H new ATOM 445 N LYS A 31 76.704 4.911 -14.740 1.00 1.00 N ATOM 446 CA LYS A 31 77.214 6.167 -14.119 1.00 1.00 C ATOM 447 C LYS A 31 76.083 7.198 -14.086 1.00 1.00 C ATOM 448 O LYS A 31 74.998 6.956 -14.577 1.00 1.00 O ATOM 449 CB LYS A 31 78.394 6.711 -14.942 1.00 1.00 C ATOM 450 CG LYS A 31 78.499 5.936 -16.257 1.00 1.00 C ATOM 451 CD LYS A 31 79.491 6.638 -17.186 1.00 1.00 C ATOM 452 CE LYS A 31 79.621 5.845 -18.488 1.00 1.00 C ATOM 453 NZ LYS A 31 79.845 4.406 -18.172 1.00 1.00 N ATOM 0 H LYS A 31 76.052 5.045 -15.513 1.00 1.00 H new ATOM 0 HA LYS A 31 77.556 5.965 -13.104 1.00 1.00 H new ATOM 0 HB2 LYS A 31 78.252 7.773 -15.144 1.00 1.00 H new ATOM 0 HB3 LYS A 31 79.321 6.615 -14.376 1.00 1.00 H new ATOM 0 HG2 LYS A 31 78.826 4.914 -16.064 1.00 1.00 H new ATOM 0 HG3 LYS A 31 77.521 5.873 -16.733 1.00 1.00 H new ATOM 0 HD2 LYS A 31 79.152 7.652 -17.398 1.00 1.00 H new ATOM 0 HD3 LYS A 31 80.463 6.722 -16.700 1.00 1.00 H new ATOM 0 HE2 LYS A 31 78.719 5.960 -19.088 1.00 1.00 H new ATOM 0 HE3 LYS A 31 80.450 6.232 -19.081 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 80.294 3.938 -18.985 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 80.465 4.326 -17.341 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 78.933 3.949 -17.969 1.00 1.00 H new ATOM 467 N GLN A 32 76.327 8.345 -13.509 1.00 1.00 N ATOM 468 CA GLN A 32 75.267 9.394 -13.441 1.00 1.00 C ATOM 469 C GLN A 32 75.834 10.725 -13.936 1.00 1.00 C ATOM 470 O GLN A 32 75.757 11.047 -15.105 1.00 1.00 O ATOM 471 CB GLN A 32 74.790 9.541 -11.993 1.00 1.00 C ATOM 472 CG GLN A 32 73.561 10.452 -11.949 1.00 1.00 C ATOM 473 CD GLN A 32 72.355 9.711 -12.530 1.00 1.00 C ATOM 474 OE1 GLN A 32 72.400 8.513 -12.725 1.00 1.00 O ATOM 475 NE2 GLN A 32 71.271 10.379 -12.817 1.00 1.00 N ATOM 0 H GLN A 32 77.217 8.601 -13.081 1.00 1.00 H new ATOM 0 HA GLN A 32 74.426 9.106 -14.071 1.00 1.00 H new ATOM 0 HB2 GLN A 32 74.546 8.563 -11.579 1.00 1.00 H new ATOM 0 HB3 GLN A 32 75.587 9.958 -11.377 1.00 1.00 H new ATOM 0 HG2 GLN A 32 73.356 10.754 -10.922 1.00 1.00 H new ATOM 0 HG3 GLN A 32 73.750 11.363 -12.517 1.00 1.00 H new ATOM 0 HE21 GLN A 32 71.233 11.385 -12.653 1.00 1.00 H new ATOM 0 HE22 GLN A 32 70.461 9.895 -13.205 1.00 1.00 H new ATOM 484 N ARG A 33 76.399 11.500 -13.054 1.00 1.00 N ATOM 485 CA ARG A 33 76.973 12.816 -13.464 1.00 1.00 C ATOM 486 C ARG A 33 78.323 13.017 -12.773 1.00 1.00 C ATOM 487 O ARG A 33 79.119 13.843 -13.175 1.00 1.00 O ATOM 488 CB ARG A 33 76.020 13.940 -13.049 1.00 1.00 C ATOM 489 CG ARG A 33 74.861 14.021 -14.044 1.00 1.00 C ATOM 490 CD ARG A 33 73.976 15.221 -13.701 1.00 1.00 C ATOM 491 NE ARG A 33 72.632 15.040 -14.318 1.00 1.00 N ATOM 492 CZ ARG A 33 71.793 16.038 -14.360 1.00 1.00 C ATOM 493 NH1 ARG A 33 72.131 17.196 -13.863 1.00 1.00 N ATOM 494 NH2 ARG A 33 70.616 15.879 -14.901 1.00 1.00 N ATOM 0 H ARG A 33 76.489 11.280 -12.062 1.00 1.00 H new ATOM 0 HA ARG A 33 77.108 12.833 -14.545 1.00 1.00 H new ATOM 0 HB2 ARG A 33 75.639 13.755 -12.045 1.00 1.00 H new ATOM 0 HB3 ARG A 33 76.553 14.890 -13.018 1.00 1.00 H new ATOM 0 HG2 ARG A 33 75.246 14.118 -15.059 1.00 1.00 H new ATOM 0 HG3 ARG A 33 74.275 13.102 -14.011 1.00 1.00 H new ATOM 0 HD2 ARG A 33 73.881 15.319 -12.620 1.00 1.00 H new ATOM 0 HD3 ARG A 33 74.434 16.140 -14.065 1.00 1.00 H new ATOM 0 HE ARG A 33 72.368 14.135 -14.708 1.00 1.00 H new ATOM 0 HH11 ARG A 33 73.051 17.321 -13.442 1.00 1.00 H new ATOM 0 HH12 ARG A 33 71.475 17.976 -13.896 1.00 1.00 H new ATOM 0 HH21 ARG A 33 70.352 14.974 -15.291 1.00 1.00 H new ATOM 0 HH22 ARG A 33 69.960 16.659 -14.934 1.00 1.00 H new ATOM 508 N GLN A 34 78.589 12.272 -11.735 1.00 1.00 N ATOM 509 CA GLN A 34 79.888 12.431 -11.022 1.00 1.00 C ATOM 510 C GLN A 34 80.225 11.139 -10.272 1.00 1.00 C ATOM 511 O GLN A 34 79.626 10.820 -9.265 1.00 1.00 O ATOM 512 CB GLN A 34 79.780 13.597 -10.026 1.00 1.00 C ATOM 513 CG GLN A 34 80.698 14.737 -10.471 1.00 1.00 C ATOM 514 CD GLN A 34 82.157 14.335 -10.248 1.00 1.00 C ATOM 515 OE1 GLN A 34 82.456 13.554 -9.366 1.00 1.00 O ATOM 516 NE2 GLN A 34 83.085 14.839 -11.014 1.00 1.00 N ATOM 0 H GLN A 34 77.965 11.562 -11.351 1.00 1.00 H new ATOM 0 HA GLN A 34 80.678 12.641 -11.743 1.00 1.00 H new ATOM 0 HB2 GLN A 34 78.749 13.947 -9.970 1.00 1.00 H new ATOM 0 HB3 GLN A 34 80.057 13.262 -9.027 1.00 1.00 H new ATOM 0 HG2 GLN A 34 80.529 14.964 -11.524 1.00 1.00 H new ATOM 0 HG3 GLN A 34 80.469 15.643 -9.909 1.00 1.00 H new ATOM 0 HE21 GLN A 34 82.835 15.494 -11.754 1.00 1.00 H new ATOM 0 HE22 GLN A 34 84.061 14.578 -10.873 1.00 1.00 H new ATOM 525 N THR A 35 81.191 10.402 -10.750 1.00 1.00 N ATOM 526 CA THR A 35 81.579 9.140 -10.059 1.00 1.00 C ATOM 527 C THR A 35 82.711 9.452 -9.076 1.00 1.00 C ATOM 528 O THR A 35 83.857 9.116 -9.301 1.00 1.00 O ATOM 529 CB THR A 35 82.051 8.111 -11.100 1.00 1.00 C ATOM 530 OG1 THR A 35 82.357 8.777 -12.317 1.00 1.00 O ATOM 531 CG2 THR A 35 80.944 7.083 -11.343 1.00 1.00 C ATOM 0 H THR A 35 81.728 10.620 -11.589 1.00 1.00 H new ATOM 0 HA THR A 35 80.727 8.727 -9.519 1.00 1.00 H new ATOM 0 HB THR A 35 82.941 7.602 -10.730 1.00 1.00 H new ATOM 0 HG1 THR A 35 82.660 8.123 -12.981 1.00 1.00 H new ATOM 0 HG21 THR A 35 81.280 6.354 -12.081 1.00 1.00 H new ATOM 0 HG22 THR A 35 80.710 6.572 -10.409 1.00 1.00 H new ATOM 0 HG23 THR A 35 80.052 7.589 -11.713 1.00 1.00 H new ATOM 539 N ARG A 36 82.397 10.103 -7.990 1.00 1.00 N ATOM 540 CA ARG A 36 83.450 10.447 -6.996 1.00 1.00 C ATOM 541 C ARG A 36 84.183 9.175 -6.568 1.00 1.00 C ATOM 542 O ARG A 36 83.864 8.572 -5.562 1.00 1.00 O ATOM 543 CB ARG A 36 82.802 11.101 -5.773 1.00 1.00 C ATOM 544 CG ARG A 36 82.062 12.369 -6.204 1.00 1.00 C ATOM 545 CD ARG A 36 81.118 12.814 -5.086 1.00 1.00 C ATOM 546 NE ARG A 36 80.138 11.728 -4.802 1.00 1.00 N ATOM 547 CZ ARG A 36 79.158 11.499 -5.633 1.00 1.00 C ATOM 548 NH1 ARG A 36 79.037 12.221 -6.714 1.00 1.00 N ATOM 549 NH2 ARG A 36 78.300 10.548 -5.384 1.00 1.00 N ATOM 0 H ARG A 36 81.455 10.412 -7.749 1.00 1.00 H new ATOM 0 HA ARG A 36 84.161 11.141 -7.445 1.00 1.00 H new ATOM 0 HB2 ARG A 36 82.109 10.406 -5.300 1.00 1.00 H new ATOM 0 HB3 ARG A 36 83.563 11.345 -5.032 1.00 1.00 H new ATOM 0 HG2 ARG A 36 82.776 13.161 -6.428 1.00 1.00 H new ATOM 0 HG3 ARG A 36 81.498 12.181 -7.117 1.00 1.00 H new ATOM 0 HD2 ARG A 36 81.687 13.049 -4.187 1.00 1.00 H new ATOM 0 HD3 ARG A 36 80.594 13.724 -5.378 1.00 1.00 H new ATOM 0 HE ARG A 36 80.233 11.163 -3.958 1.00 1.00 H new ATOM 0 HH11 ARG A 36 79.708 12.964 -6.909 1.00 1.00 H new ATOM 0 HH12 ARG A 36 78.271 12.042 -7.364 1.00 1.00 H new ATOM 0 HH21 ARG A 36 78.395 9.983 -4.540 1.00 1.00 H new ATOM 0 HH22 ARG A 36 77.534 10.369 -6.034 1.00 1.00 H new ATOM 563 N GLN A 37 85.163 8.761 -7.323 1.00 1.00 N ATOM 564 CA GLN A 37 85.914 7.528 -6.956 1.00 1.00 C ATOM 565 C GLN A 37 86.688 7.774 -5.659 1.00 1.00 C ATOM 566 O GLN A 37 87.331 6.888 -5.132 1.00 1.00 O ATOM 567 CB GLN A 37 86.893 7.170 -8.078 1.00 1.00 C ATOM 568 CG GLN A 37 87.665 8.421 -8.501 1.00 1.00 C ATOM 569 CD GLN A 37 88.779 8.029 -9.474 1.00 1.00 C ATOM 570 OE1 GLN A 37 88.928 8.631 -10.519 1.00 1.00 O ATOM 571 NE2 GLN A 37 89.573 7.039 -9.173 1.00 1.00 N ATOM 0 H GLN A 37 85.476 9.223 -8.177 1.00 1.00 H new ATOM 0 HA GLN A 37 85.215 6.704 -6.813 1.00 1.00 H new ATOM 0 HB2 GLN A 37 87.586 6.400 -7.739 1.00 1.00 H new ATOM 0 HB3 GLN A 37 86.352 6.759 -8.930 1.00 1.00 H new ATOM 0 HG2 GLN A 37 86.990 9.135 -8.973 1.00 1.00 H new ATOM 0 HG3 GLN A 37 88.089 8.913 -7.626 1.00 1.00 H new ATOM 0 HE21 GLN A 37 89.448 6.534 -8.296 1.00 1.00 H new ATOM 0 HE22 GLN A 37 90.319 6.770 -9.815 1.00 1.00 H new ATOM 580 N CYS A 38 86.628 8.971 -5.140 1.00 1.00 N ATOM 581 CA CYS A 38 87.358 9.275 -3.877 1.00 1.00 C ATOM 582 C CYS A 38 88.807 8.795 -3.997 1.00 1.00 C ATOM 583 O CYS A 38 89.212 8.261 -5.011 1.00 1.00 O ATOM 584 CB CYS A 38 86.677 8.559 -2.709 1.00 1.00 C ATOM 585 SG CYS A 38 84.882 8.737 -2.855 1.00 1.00 S ATOM 0 H CYS A 38 86.105 9.751 -5.537 1.00 1.00 H new ATOM 0 HA CYS A 38 87.346 10.350 -3.700 1.00 1.00 H new ATOM 0 HB2 CYS A 38 86.949 7.504 -2.707 1.00 1.00 H new ATOM 0 HB3 CYS A 38 87.019 8.978 -1.763 1.00 1.00 H new ATOM 590 N LYS A 39 89.591 8.979 -2.971 1.00 1.00 N ATOM 591 CA LYS A 39 91.011 8.529 -3.031 1.00 1.00 C ATOM 592 C LYS A 39 91.070 7.009 -2.866 1.00 1.00 C ATOM 593 O LYS A 39 91.502 6.295 -3.750 1.00 1.00 O ATOM 594 CB LYS A 39 91.806 9.193 -1.904 1.00 1.00 C ATOM 595 CG LYS A 39 91.861 10.704 -2.139 1.00 1.00 C ATOM 596 CD LYS A 39 92.430 11.394 -0.897 1.00 1.00 C ATOM 597 CE LYS A 39 92.379 12.911 -1.087 1.00 1.00 C ATOM 598 NZ LYS A 39 93.211 13.292 -2.263 1.00 1.00 N ATOM 0 H LYS A 39 89.311 9.420 -2.095 1.00 1.00 H new ATOM 0 HA LYS A 39 91.440 8.809 -3.993 1.00 1.00 H new ATOM 0 HB2 LYS A 39 91.340 8.981 -0.942 1.00 1.00 H new ATOM 0 HB3 LYS A 39 92.815 8.783 -1.866 1.00 1.00 H new ATOM 0 HG2 LYS A 39 92.482 10.925 -3.007 1.00 1.00 H new ATOM 0 HG3 LYS A 39 90.863 11.086 -2.355 1.00 1.00 H new ATOM 0 HD2 LYS A 39 91.857 11.108 -0.015 1.00 1.00 H new ATOM 0 HD3 LYS A 39 93.458 11.072 -0.728 1.00 1.00 H new ATOM 0 HE2 LYS A 39 91.349 13.235 -1.236 1.00 1.00 H new ATOM 0 HE3 LYS A 39 92.745 13.413 -0.191 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 93.415 14.311 -2.228 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 94.104 12.759 -2.244 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 92.695 13.072 -3.139 1.00 1.00 H new ATOM 612 N SER A 40 90.639 6.508 -1.741 1.00 1.00 N ATOM 613 CA SER A 40 90.670 5.035 -1.520 1.00 1.00 C ATOM 614 C SER A 40 90.091 4.713 -0.141 1.00 1.00 C ATOM 615 O SER A 40 88.916 4.437 -0.001 1.00 1.00 O ATOM 616 CB SER A 40 92.114 4.538 -1.594 1.00 1.00 C ATOM 617 OG SER A 40 92.210 3.279 -0.942 1.00 1.00 O ATOM 0 H SER A 40 90.267 7.055 -0.965 1.00 1.00 H new ATOM 0 HA SER A 40 90.075 4.541 -2.288 1.00 1.00 H new ATOM 0 HB2 SER A 40 92.427 4.447 -2.634 1.00 1.00 H new ATOM 0 HB3 SER A 40 92.783 5.257 -1.122 1.00 1.00 H new ATOM 0 HG SER A 40 93.134 2.956 -0.989 1.00 1.00 H new ATOM 623 N LYS A 41 90.908 4.746 0.878 1.00 1.00 N ATOM 624 CA LYS A 41 90.414 4.443 2.253 1.00 1.00 C ATOM 625 C LYS A 41 90.529 5.700 3.124 1.00 1.00 C ATOM 626 O LYS A 41 91.485 5.864 3.855 1.00 1.00 O ATOM 627 CB LYS A 41 91.272 3.330 2.863 1.00 1.00 C ATOM 628 CG LYS A 41 90.798 1.973 2.340 1.00 1.00 C ATOM 629 CD LYS A 41 91.731 0.873 2.852 1.00 1.00 C ATOM 630 CE LYS A 41 91.052 -0.488 2.691 1.00 1.00 C ATOM 631 NZ LYS A 41 91.903 -1.543 3.310 1.00 1.00 N ATOM 0 H LYS A 41 91.901 4.971 0.817 1.00 1.00 H new ATOM 0 HA LYS A 41 89.373 4.124 2.205 1.00 1.00 H new ATOM 0 HB2 LYS A 41 92.320 3.484 2.608 1.00 1.00 H new ATOM 0 HB3 LYS A 41 91.202 3.357 3.950 1.00 1.00 H new ATOM 0 HG2 LYS A 41 89.777 1.781 2.670 1.00 1.00 H new ATOM 0 HG3 LYS A 41 90.786 1.976 1.250 1.00 1.00 H new ATOM 0 HD2 LYS A 41 92.670 0.891 2.298 1.00 1.00 H new ATOM 0 HD3 LYS A 41 91.976 1.048 3.900 1.00 1.00 H new ATOM 0 HE2 LYS A 41 90.070 -0.475 3.163 1.00 1.00 H new ATOM 0 HE3 LYS A 41 90.895 -0.706 1.635 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 92.200 -2.222 2.580 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 92.744 -1.105 3.737 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 91.360 -2.040 4.045 1.00 1.00 H new ATOM 645 N PRO A 42 89.563 6.582 3.050 1.00 1.00 N ATOM 646 CA PRO A 42 89.569 7.839 3.853 1.00 1.00 C ATOM 647 C PRO A 42 89.269 7.573 5.335 1.00 1.00 C ATOM 648 O PRO A 42 88.741 6.538 5.691 1.00 1.00 O ATOM 649 CB PRO A 42 88.464 8.688 3.214 1.00 1.00 C ATOM 650 CG PRO A 42 87.536 7.710 2.572 1.00 1.00 C ATOM 651 CD PRO A 42 88.368 6.479 2.198 1.00 1.00 C ATOM 0 HA PRO A 42 90.543 8.328 3.842 1.00 1.00 H new ATOM 0 HB2 PRO A 42 87.947 9.288 3.963 1.00 1.00 H new ATOM 0 HB3 PRO A 42 88.875 9.380 2.479 1.00 1.00 H new ATOM 0 HG2 PRO A 42 86.731 7.438 3.254 1.00 1.00 H new ATOM 0 HG3 PRO A 42 87.071 8.144 1.687 1.00 1.00 H new ATOM 0 HD2 PRO A 42 87.821 5.555 2.388 1.00 1.00 H new ATOM 0 HD3 PRO A 42 88.631 6.482 1.140 1.00 1.00 H new ATOM 659 N PRO A 43 89.610 8.501 6.189 1.00 1.00 N ATOM 660 CA PRO A 43 89.382 8.368 7.660 1.00 1.00 C ATOM 661 C PRO A 43 87.891 8.292 8.012 1.00 1.00 C ATOM 662 O PRO A 43 87.070 8.977 7.434 1.00 1.00 O ATOM 663 CB PRO A 43 90.015 9.636 8.251 1.00 1.00 C ATOM 664 CG PRO A 43 90.086 10.611 7.122 1.00 1.00 C ATOM 665 CD PRO A 43 90.245 9.783 5.847 1.00 1.00 C ATOM 0 HA PRO A 43 89.815 7.448 8.053 1.00 1.00 H new ATOM 0 HB2 PRO A 43 89.414 10.029 9.071 1.00 1.00 H new ATOM 0 HB3 PRO A 43 91.007 9.429 8.653 1.00 1.00 H new ATOM 0 HG2 PRO A 43 89.184 11.222 7.079 1.00 1.00 H new ATOM 0 HG3 PRO A 43 90.927 11.293 7.250 1.00 1.00 H new ATOM 0 HD2 PRO A 43 89.757 10.258 4.996 1.00 1.00 H new ATOM 0 HD3 PRO A 43 91.294 9.653 5.581 1.00 1.00 H new ATOM 673 N LYS A 44 87.539 7.465 8.959 1.00 1.00 N ATOM 674 CA LYS A 44 86.105 7.346 9.350 1.00 1.00 C ATOM 675 C LYS A 44 85.674 8.620 10.080 1.00 1.00 C ATOM 676 O LYS A 44 85.023 9.477 9.517 1.00 1.00 O ATOM 677 CB LYS A 44 85.927 6.132 10.276 1.00 1.00 C ATOM 678 CG LYS A 44 85.667 4.877 9.440 1.00 1.00 C ATOM 679 CD LYS A 44 84.176 4.537 9.478 1.00 1.00 C ATOM 680 CE LYS A 44 83.381 5.648 8.790 1.00 1.00 C ATOM 681 NZ LYS A 44 83.880 5.827 7.398 1.00 1.00 N ATOM 0 H LYS A 44 88.182 6.867 9.478 1.00 1.00 H new ATOM 0 HA LYS A 44 85.490 7.212 8.460 1.00 1.00 H new ATOM 0 HB2 LYS A 44 86.819 5.995 10.887 1.00 1.00 H new ATOM 0 HB3 LYS A 44 85.096 6.303 10.960 1.00 1.00 H new ATOM 0 HG2 LYS A 44 85.987 5.040 8.411 1.00 1.00 H new ATOM 0 HG3 LYS A 44 86.251 4.042 9.827 1.00 1.00 H new ATOM 0 HD2 LYS A 44 83.997 3.585 8.979 1.00 1.00 H new ATOM 0 HD3 LYS A 44 83.844 4.424 10.510 1.00 1.00 H new ATOM 0 HE2 LYS A 44 82.320 5.397 8.778 1.00 1.00 H new ATOM 0 HE3 LYS A 44 83.482 6.580 9.346 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 84.368 6.742 7.319 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 84.543 5.060 7.166 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 83.078 5.804 6.736 1.00 1.00 H new ATOM 695 N LYS A 45 86.031 8.751 11.329 1.00 1.00 N ATOM 696 CA LYS A 45 85.641 9.970 12.092 1.00 1.00 C ATOM 697 C LYS A 45 84.138 9.930 12.380 1.00 1.00 C ATOM 698 O LYS A 45 83.711 10.015 13.515 1.00 1.00 O ATOM 699 CB LYS A 45 85.978 11.219 11.265 1.00 1.00 C ATOM 700 CG LYS A 45 86.356 12.367 12.203 1.00 1.00 C ATOM 701 CD LYS A 45 86.695 13.610 11.378 1.00 1.00 C ATOM 702 CE LYS A 45 87.534 14.571 12.223 1.00 1.00 C ATOM 703 NZ LYS A 45 87.093 14.497 13.645 1.00 1.00 N ATOM 0 H LYS A 45 86.576 8.066 11.853 1.00 1.00 H new ATOM 0 HA LYS A 45 86.188 10.004 13.034 1.00 1.00 H new ATOM 0 HB2 LYS A 45 86.802 11.006 10.584 1.00 1.00 H new ATOM 0 HB3 LYS A 45 85.123 11.503 10.652 1.00 1.00 H new ATOM 0 HG2 LYS A 45 85.531 12.582 12.882 1.00 1.00 H new ATOM 0 HG3 LYS A 45 87.209 12.082 12.818 1.00 1.00 H new ATOM 0 HD2 LYS A 45 87.243 13.325 10.480 1.00 1.00 H new ATOM 0 HD3 LYS A 45 85.780 14.102 11.050 1.00 1.00 H new ATOM 0 HE2 LYS A 45 88.590 14.314 12.145 1.00 1.00 H new ATOM 0 HE3 LYS A 45 87.426 15.589 11.850 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 87.429 15.338 14.157 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 86.054 14.459 13.685 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 87.488 13.642 14.087 1.00 1.00 H new ATOM 717 N GLY A 46 83.333 9.801 11.362 1.00 1.00 N ATOM 718 CA GLY A 46 81.859 9.756 11.579 1.00 1.00 C ATOM 719 C GLY A 46 81.457 8.363 12.065 1.00 1.00 C ATOM 720 O GLY A 46 81.516 7.397 11.331 1.00 1.00 O ATOM 0 H GLY A 46 83.631 9.725 10.390 1.00 1.00 H new ATOM 0 HA2 GLY A 46 81.566 10.507 12.312 1.00 1.00 H new ATOM 0 HA3 GLY A 46 81.337 9.994 10.652 1.00 1.00 H new ATOM 724 N VAL A 47 81.049 8.251 13.299 1.00 1.00 N ATOM 725 CA VAL A 47 80.644 6.920 13.831 1.00 1.00 C ATOM 726 C VAL A 47 79.429 6.412 13.052 1.00 1.00 C ATOM 727 O VAL A 47 79.426 5.312 12.535 1.00 1.00 O ATOM 728 CB VAL A 47 80.284 7.053 15.313 1.00 1.00 C ATOM 729 CG1 VAL A 47 80.344 5.677 15.979 1.00 1.00 C ATOM 730 CG2 VAL A 47 81.280 7.992 15.996 1.00 1.00 C ATOM 0 H VAL A 47 80.979 9.023 13.961 1.00 1.00 H new ATOM 0 HA VAL A 47 81.468 6.215 13.720 1.00 1.00 H new ATOM 0 HB VAL A 47 79.277 7.458 15.407 1.00 1.00 H new ATOM 0 HG11 VAL A 47 80.088 5.772 17.034 1.00 1.00 H new ATOM 0 HG12 VAL A 47 79.636 5.006 15.493 1.00 1.00 H new ATOM 0 HG13 VAL A 47 81.351 5.271 15.885 1.00 1.00 H new ATOM 0 HG21 VAL A 47 81.025 8.088 17.051 1.00 1.00 H new ATOM 0 HG22 VAL A 47 82.287 7.585 15.901 1.00 1.00 H new ATOM 0 HG23 VAL A 47 81.239 8.973 15.522 1.00 1.00 H new ATOM 740 N GLN A 48 78.394 7.205 12.964 1.00 1.00 N ATOM 741 CA GLN A 48 77.177 6.770 12.219 1.00 1.00 C ATOM 742 C GLN A 48 76.551 7.976 11.516 1.00 1.00 C ATOM 743 O GLN A 48 75.422 7.929 11.070 1.00 1.00 O ATOM 744 CB GLN A 48 76.164 6.172 13.199 1.00 1.00 C ATOM 745 CG GLN A 48 76.610 4.765 13.602 1.00 1.00 C ATOM 746 CD GLN A 48 75.707 4.244 14.722 1.00 1.00 C ATOM 747 OE1 GLN A 48 74.547 3.959 14.500 1.00 1.00 O ATOM 748 NE2 GLN A 48 76.194 4.106 15.924 1.00 1.00 N ATOM 0 H GLN A 48 78.339 8.136 13.377 1.00 1.00 H new ATOM 0 HA GLN A 48 77.455 6.020 11.479 1.00 1.00 H new ATOM 0 HB2 GLN A 48 76.080 6.805 14.082 1.00 1.00 H new ATOM 0 HB3 GLN A 48 75.177 6.134 12.739 1.00 1.00 H new ATOM 0 HG2 GLN A 48 76.563 4.097 12.742 1.00 1.00 H new ATOM 0 HG3 GLN A 48 77.648 4.783 13.936 1.00 1.00 H new ATOM 0 HE21 GLN A 48 77.168 4.345 16.110 1.00 1.00 H new ATOM 0 HE22 GLN A 48 75.601 3.759 16.678 1.00 1.00 H new ATOM 757 N GLY A 49 77.275 9.057 11.412 1.00 1.00 N ATOM 758 CA GLY A 49 76.719 10.263 10.735 1.00 1.00 C ATOM 759 C GLY A 49 76.438 9.940 9.267 1.00 1.00 C ATOM 760 O GLY A 49 75.920 8.891 8.940 1.00 1.00 O ATOM 0 H GLY A 49 78.226 9.157 11.766 1.00 1.00 H new ATOM 0 HA2 GLY A 49 75.802 10.581 11.230 1.00 1.00 H new ATOM 0 HA3 GLY A 49 77.424 11.091 10.808 1.00 1.00 H new ATOM 764 N CYS A 50 76.776 10.834 8.376 1.00 1.00 N ATOM 765 CA CYS A 50 76.529 10.578 6.928 1.00 1.00 C ATOM 766 C CYS A 50 77.567 11.331 6.093 1.00 1.00 C ATOM 767 O CYS A 50 77.594 11.231 4.882 1.00 1.00 O ATOM 768 CB CYS A 50 75.127 11.064 6.557 1.00 1.00 C ATOM 769 SG CYS A 50 73.893 10.116 7.482 1.00 1.00 S ATOM 0 H CYS A 50 77.213 11.731 8.589 1.00 1.00 H new ATOM 0 HA CYS A 50 76.608 9.509 6.729 1.00 1.00 H new ATOM 0 HB2 CYS A 50 75.028 12.126 6.781 1.00 1.00 H new ATOM 0 HB3 CYS A 50 74.962 10.948 5.486 1.00 1.00 H new ATOM 774 N GLY A 51 78.419 12.087 6.729 1.00 1.00 N ATOM 775 CA GLY A 51 79.451 12.849 5.968 1.00 1.00 C ATOM 776 C GLY A 51 78.801 14.063 5.303 1.00 1.00 C ATOM 777 O GLY A 51 77.718 13.977 4.758 1.00 1.00 O ATOM 0 H GLY A 51 78.446 12.210 7.741 1.00 1.00 H new ATOM 0 HA2 GLY A 51 80.248 13.171 6.638 1.00 1.00 H new ATOM 0 HA3 GLY A 51 79.908 12.209 5.213 1.00 1.00 H new ATOM 781 N ASP A 52 79.452 15.195 5.344 1.00 1.00 N ATOM 782 CA ASP A 52 78.872 16.417 4.717 1.00 1.00 C ATOM 783 C ASP A 52 77.389 16.527 5.085 1.00 1.00 C ATOM 784 O ASP A 52 76.616 17.168 4.403 1.00 1.00 O ATOM 785 CB ASP A 52 79.029 16.335 3.193 1.00 1.00 C ATOM 786 CG ASP A 52 77.896 15.492 2.604 1.00 1.00 C ATOM 787 OD1 ASP A 52 76.853 16.056 2.316 1.00 1.00 O ATOM 788 OD2 ASP A 52 78.091 14.297 2.451 1.00 1.00 O ATOM 0 H ASP A 52 80.362 15.326 5.786 1.00 1.00 H new ATOM 0 HA ASP A 52 79.397 17.299 5.083 1.00 1.00 H new ATOM 0 HB2 ASP A 52 79.013 17.336 2.761 1.00 1.00 H new ATOM 0 HB3 ASP A 52 79.993 15.894 2.940 1.00 1.00 H new ATOM 793 N ASP A 53 76.990 15.901 6.160 1.00 1.00 N ATOM 794 CA ASP A 53 75.559 15.962 6.578 1.00 1.00 C ATOM 795 C ASP A 53 74.716 15.082 5.649 1.00 1.00 C ATOM 796 O ASP A 53 75.019 14.925 4.483 1.00 1.00 O ATOM 797 CB ASP A 53 75.065 17.413 6.514 1.00 1.00 C ATOM 798 CG ASP A 53 73.976 17.629 7.567 1.00 1.00 C ATOM 799 OD1 ASP A 53 73.251 16.687 7.842 1.00 1.00 O ATOM 800 OD2 ASP A 53 73.886 18.732 8.080 1.00 1.00 O ATOM 0 H ASP A 53 77.595 15.349 6.768 1.00 1.00 H new ATOM 0 HA ASP A 53 75.463 15.598 7.601 1.00 1.00 H new ATOM 0 HB2 ASP A 53 75.894 18.099 6.688 1.00 1.00 H new ATOM 0 HB3 ASP A 53 74.673 17.631 5.521 1.00 1.00 H new ATOM 805 N ILE A 54 73.663 14.504 6.160 1.00 1.00 N ATOM 806 CA ILE A 54 72.800 13.628 5.313 1.00 1.00 C ATOM 807 C ILE A 54 72.511 14.327 3.974 1.00 1.00 C ATOM 808 O ILE A 54 71.778 15.295 3.928 1.00 1.00 O ATOM 809 CB ILE A 54 71.473 13.353 6.042 1.00 1.00 C ATOM 810 CG1 ILE A 54 71.662 13.576 7.544 1.00 1.00 C ATOM 811 CG2 ILE A 54 71.043 11.906 5.794 1.00 1.00 C ATOM 812 CD1 ILE A 54 70.411 13.112 8.291 1.00 1.00 C ATOM 0 H ILE A 54 73.362 14.600 7.130 1.00 1.00 H new ATOM 0 HA ILE A 54 73.316 12.686 5.127 1.00 1.00 H new ATOM 0 HB ILE A 54 70.706 14.030 5.666 1.00 1.00 H new ATOM 0 HG12 ILE A 54 72.534 13.026 7.897 1.00 1.00 H new ATOM 0 HG13 ILE A 54 71.848 14.631 7.745 1.00 1.00 H new ATOM 0 HG21 ILE A 54 70.103 11.712 6.311 1.00 1.00 H new ATOM 0 HG22 ILE A 54 70.909 11.744 4.724 1.00 1.00 H new ATOM 0 HG23 ILE A 54 71.810 11.229 6.170 1.00 1.00 H new ATOM 0 HD11 ILE A 54 70.546 13.271 9.361 1.00 1.00 H new ATOM 0 HD12 ILE A 54 69.549 13.682 7.945 1.00 1.00 H new ATOM 0 HD13 ILE A 54 70.245 12.052 8.100 1.00 1.00 H new ATOM 824 N PRO A 55 73.078 13.849 2.890 1.00 1.00 N ATOM 825 CA PRO A 55 72.866 14.452 1.544 1.00 1.00 C ATOM 826 C PRO A 55 71.582 13.957 0.866 1.00 1.00 C ATOM 827 O PRO A 55 70.863 14.720 0.252 1.00 1.00 O ATOM 828 CB PRO A 55 74.097 13.992 0.765 1.00 1.00 C ATOM 829 CG PRO A 55 74.448 12.666 1.359 1.00 1.00 C ATOM 830 CD PRO A 55 73.983 12.690 2.821 1.00 1.00 C ATOM 0 HA PRO A 55 72.749 15.535 1.595 1.00 1.00 H new ATOM 0 HB2 PRO A 55 73.882 13.904 -0.300 1.00 1.00 H new ATOM 0 HB3 PRO A 55 74.918 14.702 0.867 1.00 1.00 H new ATOM 0 HG2 PRO A 55 73.961 11.858 0.813 1.00 1.00 H new ATOM 0 HG3 PRO A 55 75.522 12.489 1.299 1.00 1.00 H new ATOM 0 HD2 PRO A 55 73.470 11.767 3.092 1.00 1.00 H new ATOM 0 HD3 PRO A 55 74.824 12.800 3.505 1.00 1.00 H new ATOM 838 N GLY A 56 71.292 12.685 0.964 1.00 1.00 N ATOM 839 CA GLY A 56 70.059 12.144 0.315 1.00 1.00 C ATOM 840 C GLY A 56 69.316 11.228 1.289 1.00 1.00 C ATOM 841 O GLY A 56 69.758 10.138 1.591 1.00 1.00 O ATOM 0 H GLY A 56 71.855 11.998 1.465 1.00 1.00 H new ATOM 0 HA2 GLY A 56 69.410 12.964 0.007 1.00 1.00 H new ATOM 0 HA3 GLY A 56 70.325 11.592 -0.586 1.00 1.00 H new ATOM 845 N MET A 57 68.183 11.665 1.777 1.00 1.00 N ATOM 846 CA MET A 57 67.395 10.825 2.731 1.00 1.00 C ATOM 847 C MET A 57 65.976 10.629 2.188 1.00 1.00 C ATOM 848 O MET A 57 65.002 10.833 2.884 1.00 1.00 O ATOM 849 CB MET A 57 67.325 11.528 4.090 1.00 1.00 C ATOM 850 CG MET A 57 67.087 13.025 3.881 1.00 1.00 C ATOM 851 SD MET A 57 68.644 13.825 3.421 1.00 1.00 S ATOM 852 CE MET A 57 68.318 15.423 4.205 1.00 1.00 C ATOM 0 H MET A 57 67.768 12.570 1.556 1.00 1.00 H new ATOM 0 HA MET A 57 67.879 9.855 2.845 1.00 1.00 H new ATOM 0 HB2 MET A 57 66.521 11.102 4.690 1.00 1.00 H new ATOM 0 HB3 MET A 57 68.252 11.370 4.641 1.00 1.00 H new ATOM 0 HG2 MET A 57 66.342 13.180 3.101 1.00 1.00 H new ATOM 0 HG3 MET A 57 66.692 13.472 4.793 1.00 1.00 H new ATOM 0 HE1 MET A 57 69.167 16.088 4.043 1.00 1.00 H new ATOM 0 HE2 MET A 57 67.422 15.866 3.770 1.00 1.00 H new ATOM 0 HE3 MET A 57 68.168 15.279 5.275 1.00 1.00 H new ATOM 862 N GLU A 58 65.852 10.231 0.950 1.00 1.00 N ATOM 863 CA GLU A 58 64.496 10.019 0.362 1.00 1.00 C ATOM 864 C GLU A 58 64.540 8.846 -0.623 1.00 1.00 C ATOM 865 O GLU A 58 63.525 8.270 -0.961 1.00 1.00 O ATOM 866 CB GLU A 58 64.052 11.284 -0.379 1.00 1.00 C ATOM 867 CG GLU A 58 64.438 12.518 0.439 1.00 1.00 C ATOM 868 CD GLU A 58 63.929 13.777 -0.266 1.00 1.00 C ATOM 869 OE1 GLU A 58 63.845 13.758 -1.483 1.00 1.00 O ATOM 870 OE2 GLU A 58 63.633 14.739 0.423 1.00 1.00 O ATOM 0 H GLU A 58 66.631 10.043 0.319 1.00 1.00 H new ATOM 0 HA GLU A 58 63.789 9.798 1.162 1.00 1.00 H new ATOM 0 HB2 GLU A 58 64.521 11.325 -1.362 1.00 1.00 H new ATOM 0 HB3 GLU A 58 62.974 11.264 -0.540 1.00 1.00 H new ATOM 0 HG2 GLU A 58 64.012 12.452 1.440 1.00 1.00 H new ATOM 0 HG3 GLU A 58 65.521 12.566 0.556 1.00 1.00 H new ATOM 877 N GLY A 59 65.707 8.489 -1.088 1.00 1.00 N ATOM 878 CA GLY A 59 65.810 7.356 -2.052 1.00 1.00 C ATOM 879 C GLY A 59 65.755 6.031 -1.291 1.00 1.00 C ATOM 880 O GLY A 59 66.644 5.707 -0.529 1.00 1.00 O ATOM 0 H GLY A 59 66.592 8.932 -0.842 1.00 1.00 H new ATOM 0 HA2 GLY A 59 64.997 7.406 -2.776 1.00 1.00 H new ATOM 0 HA3 GLY A 59 66.741 7.426 -2.614 1.00 1.00 H new ATOM 884 N CYS A 60 64.716 5.263 -1.487 1.00 1.00 N ATOM 885 CA CYS A 60 64.605 3.961 -0.768 1.00 1.00 C ATOM 886 C CYS A 60 64.964 4.167 0.706 1.00 1.00 C ATOM 887 O CYS A 60 65.284 3.233 1.414 1.00 1.00 O ATOM 888 CB CYS A 60 65.563 2.941 -1.394 1.00 1.00 C ATOM 889 SG CYS A 60 66.130 3.553 -3.000 1.00 1.00 S ATOM 0 H CYS A 60 63.941 5.481 -2.113 1.00 1.00 H new ATOM 0 HA CYS A 60 63.584 3.587 -0.847 1.00 1.00 H new ATOM 0 HB2 CYS A 60 66.415 2.774 -0.735 1.00 1.00 H new ATOM 0 HB3 CYS A 60 65.061 1.981 -1.515 1.00 1.00 H new ATOM 894 N GLY A 61 64.919 5.387 1.168 1.00 1.00 N ATOM 895 CA GLY A 61 65.262 5.666 2.591 1.00 1.00 C ATOM 896 C GLY A 61 64.591 4.636 3.501 1.00 1.00 C ATOM 897 O GLY A 61 65.244 3.935 4.243 1.00 1.00 O ATOM 0 H GLY A 61 64.658 6.206 0.618 1.00 1.00 H new ATOM 0 HA2 GLY A 61 66.343 5.634 2.726 1.00 1.00 H new ATOM 0 HA3 GLY A 61 64.936 6.670 2.862 1.00 1.00 H new ATOM 901 N THR A 62 63.292 4.541 3.453 1.00 1.00 N ATOM 902 CA THR A 62 62.579 3.560 4.322 1.00 1.00 C ATOM 903 C THR A 62 63.318 2.219 4.318 1.00 1.00 C ATOM 904 O THR A 62 63.486 1.590 5.344 1.00 1.00 O ATOM 905 CB THR A 62 61.159 3.363 3.794 1.00 1.00 C ATOM 906 OG1 THR A 62 60.400 2.629 4.744 1.00 1.00 O ATOM 907 CG2 THR A 62 61.206 2.595 2.472 1.00 1.00 C ATOM 0 H THR A 62 62.691 5.101 2.849 1.00 1.00 H new ATOM 0 HA THR A 62 62.545 3.941 5.343 1.00 1.00 H new ATOM 0 HB THR A 62 60.694 4.335 3.630 1.00 1.00 H new ATOM 0 HG1 THR A 62 59.488 2.503 4.407 1.00 1.00 H new ATOM 0 HG21 THR A 62 60.192 2.455 2.096 1.00 1.00 H new ATOM 0 HG22 THR A 62 61.788 3.160 1.744 1.00 1.00 H new ATOM 0 HG23 THR A 62 61.671 1.622 2.633 1.00 1.00 H new ATOM 915 N ASP A 63 63.757 1.774 3.174 1.00 1.00 N ATOM 916 CA ASP A 63 64.480 0.474 3.111 1.00 1.00 C ATOM 917 C ASP A 63 65.758 0.555 3.951 1.00 1.00 C ATOM 918 O ASP A 63 66.554 -0.360 3.967 1.00 1.00 O ATOM 919 CB ASP A 63 64.844 0.162 1.657 1.00 1.00 C ATOM 920 CG ASP A 63 65.344 -1.280 1.554 1.00 1.00 C ATOM 921 OD1 ASP A 63 64.774 -2.133 2.213 1.00 1.00 O ATOM 922 OD2 ASP A 63 66.290 -1.507 0.817 1.00 1.00 O ATOM 0 H ASP A 63 63.646 2.254 2.281 1.00 1.00 H new ATOM 0 HA ASP A 63 63.839 -0.315 3.503 1.00 1.00 H new ATOM 0 HB2 ASP A 63 63.975 0.303 1.015 1.00 1.00 H new ATOM 0 HB3 ASP A 63 65.613 0.851 1.308 1.00 1.00 H new ATOM 927 N ILE A 64 65.959 1.643 4.647 1.00 1.00 N ATOM 928 CA ILE A 64 67.186 1.785 5.485 1.00 1.00 C ATOM 929 C ILE A 64 66.930 2.821 6.579 1.00 1.00 C ATOM 930 O ILE A 64 67.112 2.566 7.753 1.00 1.00 O ATOM 931 CB ILE A 64 68.365 2.233 4.599 1.00 1.00 C ATOM 932 CG1 ILE A 64 69.485 2.785 5.484 1.00 1.00 C ATOM 933 CG2 ILE A 64 67.895 3.324 3.635 1.00 1.00 C ATOM 934 CD1 ILE A 64 70.727 3.050 4.631 1.00 1.00 C ATOM 0 H ILE A 64 65.325 2.441 4.671 1.00 1.00 H new ATOM 0 HA ILE A 64 67.432 0.828 5.946 1.00 1.00 H new ATOM 0 HB ILE A 64 68.735 1.380 4.030 1.00 1.00 H new ATOM 0 HG12 ILE A 64 69.160 3.706 5.968 1.00 1.00 H new ATOM 0 HG13 ILE A 64 69.720 2.075 6.277 1.00 1.00 H new ATOM 0 HG21 ILE A 64 68.729 3.640 3.009 1.00 1.00 H new ATOM 0 HG22 ILE A 64 67.096 2.933 3.005 1.00 1.00 H new ATOM 0 HG23 ILE A 64 67.524 4.177 4.204 1.00 1.00 H new ATOM 0 HD11 ILE A 64 71.524 3.443 5.262 1.00 1.00 H new ATOM 0 HD12 ILE A 64 71.056 2.120 4.168 1.00 1.00 H new ATOM 0 HD13 ILE A 64 70.487 3.776 3.855 1.00 1.00 H new ATOM 946 N THR A 65 66.510 3.983 6.190 1.00 1.00 N ATOM 947 CA THR A 65 66.230 5.068 7.175 1.00 1.00 C ATOM 948 C THR A 65 67.543 5.524 7.819 1.00 1.00 C ATOM 949 O THR A 65 67.890 6.689 7.790 1.00 1.00 O ATOM 950 CB THR A 65 65.278 4.546 8.258 1.00 1.00 C ATOM 951 OG1 THR A 65 64.350 3.642 7.675 1.00 1.00 O ATOM 952 CG2 THR A 65 64.524 5.719 8.887 1.00 1.00 C ATOM 0 H THR A 65 66.344 4.238 5.216 1.00 1.00 H new ATOM 0 HA THR A 65 65.766 5.911 6.664 1.00 1.00 H new ATOM 0 HB THR A 65 65.852 4.032 9.029 1.00 1.00 H new ATOM 0 HG1 THR A 65 63.742 3.306 8.366 1.00 1.00 H new ATOM 0 HG21 THR A 65 63.848 5.346 9.656 1.00 1.00 H new ATOM 0 HG22 THR A 65 65.237 6.412 9.335 1.00 1.00 H new ATOM 0 HG23 THR A 65 63.949 6.236 8.119 1.00 1.00 H new ATOM 960 N VAL A 66 68.271 4.614 8.401 1.00 1.00 N ATOM 961 CA VAL A 66 69.562 4.978 9.054 1.00 1.00 C ATOM 962 C VAL A 66 70.511 3.784 8.942 1.00 1.00 C ATOM 963 O VAL A 66 71.618 3.898 8.455 1.00 1.00 O ATOM 964 CB VAL A 66 69.308 5.313 10.535 1.00 1.00 C ATOM 965 CG1 VAL A 66 69.539 6.807 10.768 1.00 1.00 C ATOM 966 CG2 VAL A 66 67.864 4.959 10.896 1.00 1.00 C ATOM 0 H VAL A 66 68.027 3.625 8.454 1.00 1.00 H new ATOM 0 HA VAL A 66 70.004 5.848 8.568 1.00 1.00 H new ATOM 0 HB VAL A 66 69.992 4.738 11.160 1.00 1.00 H new ATOM 0 HG11 VAL A 66 69.359 7.044 11.817 1.00 1.00 H new ATOM 0 HG12 VAL A 66 70.567 7.061 10.510 1.00 1.00 H new ATOM 0 HG13 VAL A 66 68.856 7.383 10.144 1.00 1.00 H new ATOM 0 HG21 VAL A 66 67.683 5.196 11.944 1.00 1.00 H new ATOM 0 HG22 VAL A 66 67.181 5.534 10.271 1.00 1.00 H new ATOM 0 HG23 VAL A 66 67.698 3.895 10.730 1.00 1.00 H new ATOM 976 N ILE A 67 70.067 2.634 9.370 1.00 1.00 N ATOM 977 CA ILE A 67 70.912 1.412 9.272 1.00 1.00 C ATOM 978 C ILE A 67 70.055 0.280 8.722 1.00 1.00 C ATOM 979 O ILE A 67 69.343 -0.387 9.447 1.00 1.00 O ATOM 980 CB ILE A 67 71.449 1.011 10.647 1.00 1.00 C ATOM 981 CG1 ILE A 67 72.522 2.010 11.085 1.00 1.00 C ATOM 982 CG2 ILE A 67 72.060 -0.390 10.569 1.00 1.00 C ATOM 983 CD1 ILE A 67 72.783 1.855 12.585 1.00 1.00 C ATOM 0 H ILE A 67 69.147 2.488 9.787 1.00 1.00 H new ATOM 0 HA ILE A 67 71.759 1.613 8.616 1.00 1.00 H new ATOM 0 HB ILE A 67 70.633 1.011 11.370 1.00 1.00 H new ATOM 0 HG12 ILE A 67 73.442 1.840 10.526 1.00 1.00 H new ATOM 0 HG13 ILE A 67 72.198 3.027 10.865 1.00 1.00 H new ATOM 0 HG21 ILE A 67 72.443 -0.675 11.549 1.00 1.00 H new ATOM 0 HG22 ILE A 67 71.297 -1.103 10.256 1.00 1.00 H new ATOM 0 HG23 ILE A 67 72.876 -0.391 9.847 1.00 1.00 H new ATOM 0 HD11 ILE A 67 73.547 2.567 12.897 1.00 1.00 H new ATOM 0 HD12 ILE A 67 71.862 2.047 13.136 1.00 1.00 H new ATOM 0 HD13 ILE A 67 73.125 0.841 12.792 1.00 1.00 H new ATOM 995 N CYS A 68 70.117 0.060 7.446 1.00 1.00 N ATOM 996 CA CYS A 68 69.307 -1.027 6.838 1.00 1.00 C ATOM 997 C CYS A 68 69.799 -2.376 7.378 1.00 1.00 C ATOM 998 O CYS A 68 70.926 -2.766 7.143 1.00 1.00 O ATOM 999 CB CYS A 68 69.471 -0.980 5.313 1.00 1.00 C ATOM 1000 SG CYS A 68 70.902 0.045 4.893 1.00 1.00 S ATOM 0 H CYS A 68 70.696 0.587 6.792 1.00 1.00 H new ATOM 0 HA CYS A 68 68.254 -0.900 7.090 1.00 1.00 H new ATOM 0 HB2 CYS A 68 69.604 -1.988 4.919 1.00 1.00 H new ATOM 0 HB3 CYS A 68 68.571 -0.574 4.852 1.00 1.00 H new ATOM 1005 N PRO A 69 68.974 -3.085 8.117 1.00 1.00 N ATOM 1006 CA PRO A 69 69.372 -4.397 8.703 1.00 1.00 C ATOM 1007 C PRO A 69 69.634 -5.437 7.617 1.00 1.00 C ATOM 1008 O PRO A 69 70.059 -6.543 7.886 1.00 1.00 O ATOM 1009 CB PRO A 69 68.181 -4.805 9.581 1.00 1.00 C ATOM 1010 CG PRO A 69 67.022 -4.004 9.081 1.00 1.00 C ATOM 1011 CD PRO A 69 67.593 -2.722 8.469 1.00 1.00 C ATOM 0 HA PRO A 69 70.300 -4.325 9.270 1.00 1.00 H new ATOM 0 HB2 PRO A 69 67.983 -5.874 9.501 1.00 1.00 H new ATOM 0 HB3 PRO A 69 68.379 -4.595 10.632 1.00 1.00 H new ATOM 0 HG2 PRO A 69 66.456 -4.567 8.338 1.00 1.00 H new ATOM 0 HG3 PRO A 69 66.335 -3.770 9.895 1.00 1.00 H new ATOM 0 HD2 PRO A 69 67.026 -2.410 7.592 1.00 1.00 H new ATOM 0 HD3 PRO A 69 67.565 -1.894 9.177 1.00 1.00 H new ATOM 1019 N TRP A 70 69.390 -5.082 6.389 1.00 1.00 N ATOM 1020 CA TRP A 70 69.628 -6.034 5.276 1.00 1.00 C ATOM 1021 C TRP A 70 71.123 -6.044 4.945 1.00 1.00 C ATOM 1022 O TRP A 70 71.626 -6.975 4.351 1.00 1.00 O ATOM 1023 CB TRP A 70 68.811 -5.589 4.055 1.00 1.00 C ATOM 1024 CG TRP A 70 69.382 -6.201 2.816 1.00 1.00 C ATOM 1025 CD1 TRP A 70 69.846 -7.468 2.719 1.00 1.00 C ATOM 1026 CD2 TRP A 70 69.558 -5.598 1.501 1.00 1.00 C ATOM 1027 NE1 TRP A 70 70.295 -7.682 1.429 1.00 1.00 N ATOM 1028 CE2 TRP A 70 70.139 -6.561 0.639 1.00 1.00 C ATOM 1029 CE3 TRP A 70 69.273 -4.325 0.977 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 70.427 -6.267 -0.696 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 69.561 -4.028 -0.364 1.00 1.00 C ATOM 1032 CH2 TRP A 70 70.137 -4.995 -1.199 1.00 1.00 C ATOM 0 H TRP A 70 69.034 -4.168 6.108 1.00 1.00 H new ATOM 0 HA TRP A 70 69.319 -7.040 5.560 1.00 1.00 H new ATOM 0 HB2 TRP A 70 67.770 -5.889 4.173 1.00 1.00 H new ATOM 0 HB3 TRP A 70 68.823 -4.502 3.974 1.00 1.00 H new ATOM 0 HD1 TRP A 70 69.863 -8.194 3.519 1.00 1.00 H new ATOM 0 HE1 TRP A 70 70.693 -8.562 1.101 1.00 1.00 H new ATOM 0 HE3 TRP A 70 68.830 -3.571 1.610 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 70.870 -7.017 -1.335 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 69.337 -3.047 -0.756 1.00 1.00 H new ATOM 0 HH2 TRP A 70 70.357 -4.758 -2.230 1.00 1.00 H new ATOM 1043 N GLU A 71 71.847 -5.022 5.331 1.00 1.00 N ATOM 1044 CA GLU A 71 73.307 -5.002 5.029 1.00 1.00 C ATOM 1045 C GLU A 71 74.027 -4.060 5.996 1.00 1.00 C ATOM 1046 O GLU A 71 74.958 -3.372 5.627 1.00 1.00 O ATOM 1047 CB GLU A 71 73.533 -4.521 3.589 1.00 1.00 C ATOM 1048 CG GLU A 71 73.041 -5.587 2.608 1.00 1.00 C ATOM 1049 CD GLU A 71 73.606 -5.301 1.216 1.00 1.00 C ATOM 1050 OE1 GLU A 71 74.601 -4.599 1.135 1.00 1.00 O ATOM 1051 OE2 GLU A 71 73.035 -5.788 0.254 1.00 1.00 O ATOM 0 H GLU A 71 71.493 -4.210 5.837 1.00 1.00 H new ATOM 0 HA GLU A 71 73.705 -6.010 5.143 1.00 1.00 H new ATOM 0 HB2 GLU A 71 73.002 -3.584 3.420 1.00 1.00 H new ATOM 0 HB3 GLU A 71 74.592 -4.321 3.424 1.00 1.00 H new ATOM 0 HG2 GLU A 71 73.354 -6.576 2.943 1.00 1.00 H new ATOM 0 HG3 GLU A 71 71.951 -5.591 2.576 1.00 1.00 H new ATOM 1058 N ALA A 72 73.614 -4.027 7.233 1.00 1.00 N ATOM 1059 CA ALA A 72 74.290 -3.134 8.215 1.00 1.00 C ATOM 1060 C ALA A 72 75.775 -3.501 8.277 1.00 1.00 C ATOM 1061 O ALA A 72 76.149 -4.634 8.051 1.00 1.00 O ATOM 1062 CB ALA A 72 73.659 -3.320 9.597 1.00 1.00 C ATOM 0 H ALA A 72 72.840 -4.578 7.605 1.00 1.00 H new ATOM 0 HA ALA A 72 74.178 -2.094 7.907 1.00 1.00 H new ATOM 0 HB1 ALA A 72 74.155 -2.666 10.314 1.00 1.00 H new ATOM 0 HB2 ALA A 72 72.599 -3.070 9.550 1.00 1.00 H new ATOM 0 HB3 ALA A 72 73.773 -4.357 9.912 1.00 1.00 H new ATOM 1068 N CYS A 73 76.627 -2.558 8.575 1.00 1.00 N ATOM 1069 CA CYS A 73 78.082 -2.873 8.642 1.00 1.00 C ATOM 1070 C CYS A 73 78.304 -4.043 9.604 1.00 1.00 C ATOM 1071 O CYS A 73 78.555 -3.855 10.778 1.00 1.00 O ATOM 1072 CB CYS A 73 78.853 -1.646 9.136 1.00 1.00 C ATOM 1073 SG CYS A 73 77.853 -0.751 10.350 1.00 1.00 S ATOM 0 H CYS A 73 76.380 -1.588 8.774 1.00 1.00 H new ATOM 0 HA CYS A 73 78.441 -3.145 7.649 1.00 1.00 H new ATOM 0 HB2 CYS A 73 79.798 -1.953 9.584 1.00 1.00 H new ATOM 0 HB3 CYS A 73 79.095 -0.994 8.297 1.00 1.00 H new ATOM 1078 N ASN A 74 78.212 -5.248 9.112 1.00 1.00 N ATOM 1079 CA ASN A 74 78.418 -6.432 9.994 1.00 1.00 C ATOM 1080 C ASN A 74 79.914 -6.614 10.253 1.00 1.00 C ATOM 1081 O ASN A 74 80.591 -7.340 9.552 1.00 1.00 O ATOM 1082 CB ASN A 74 77.860 -7.683 9.310 1.00 1.00 C ATOM 1083 CG ASN A 74 76.332 -7.608 9.276 1.00 1.00 C ATOM 1084 OD1 ASN A 74 75.735 -6.528 9.699 1.00 1.00 O flip ATOM 1085 ND2 ASN A 74 75.676 -8.542 8.861 1.00 1.00 N flip ATOM 0 H ASN A 74 78.003 -5.464 8.137 1.00 1.00 H new ATOM 0 HA ASN A 74 77.900 -6.278 10.940 1.00 1.00 H new ATOM 0 HB2 ASN A 74 78.253 -7.762 8.297 1.00 1.00 H new ATOM 0 HB3 ASN A 74 78.179 -8.577 9.847 1.00 1.00 H new ATOM 0 HD21 ASN A 74 76.143 -9.386 8.530 1.00 1.00 H new ATOM 0 HD22 ASN A 74 74.658 -8.482 8.843 1.00 1.00 H new ATOM 1092 N HIS A 75 80.438 -5.956 11.250 1.00 1.00 N ATOM 1093 CA HIS A 75 81.892 -6.087 11.548 1.00 1.00 C ATOM 1094 C HIS A 75 82.692 -5.835 10.269 1.00 1.00 C ATOM 1095 O HIS A 75 83.864 -6.145 10.185 1.00 1.00 O ATOM 1096 CB HIS A 75 82.189 -7.496 12.066 1.00 1.00 C ATOM 1097 CG HIS A 75 83.634 -7.587 12.472 1.00 1.00 C ATOM 1098 ND1 HIS A 75 84.583 -8.230 11.691 1.00 1.00 N ATOM 1099 CD2 HIS A 75 84.309 -7.120 13.575 1.00 1.00 C ATOM 1100 CE1 HIS A 75 85.765 -8.136 12.326 1.00 1.00 C ATOM 1101 NE2 HIS A 75 85.652 -7.469 13.477 1.00 1.00 N ATOM 0 H HIS A 75 79.922 -5.333 11.871 1.00 1.00 H new ATOM 0 HA HIS A 75 82.174 -5.359 12.309 1.00 1.00 H new ATOM 0 HB2 HIS A 75 81.546 -7.725 12.916 1.00 1.00 H new ATOM 0 HB3 HIS A 75 81.970 -8.233 11.293 1.00 1.00 H new ATOM 0 HD2 HIS A 75 83.866 -6.568 14.391 1.00 1.00 H new ATOM 0 HE1 HIS A 75 86.690 -8.549 11.951 1.00 1.00 H new ATOM 0 HE2 HIS A 75 86.394 -7.259 14.144 1.00 1.00 H new ATOM 1110 N CYS A 76 82.066 -5.273 9.271 1.00 1.00 N ATOM 1111 CA CYS A 76 82.786 -4.998 7.997 1.00 1.00 C ATOM 1112 C CYS A 76 83.137 -6.322 7.313 1.00 1.00 C ATOM 1113 O CYS A 76 83.501 -7.288 7.955 1.00 1.00 O ATOM 1114 CB CYS A 76 84.067 -4.213 8.294 1.00 1.00 C ATOM 1115 SG CYS A 76 84.447 -3.128 6.896 1.00 1.00 S ATOM 0 H CYS A 76 81.085 -4.992 9.284 1.00 1.00 H new ATOM 0 HA CYS A 76 82.148 -4.410 7.337 1.00 1.00 H new ATOM 0 HB2 CYS A 76 83.943 -3.624 9.202 1.00 1.00 H new ATOM 0 HB3 CYS A 76 84.895 -4.900 8.471 1.00 1.00 H new ATOM 1120 N GLU A 77 83.024 -6.372 6.014 1.00 1.00 N ATOM 1121 CA GLU A 77 83.342 -7.630 5.281 1.00 1.00 C ATOM 1122 C GLU A 77 84.741 -8.118 5.664 1.00 1.00 C ATOM 1123 O GLU A 77 84.925 -8.775 6.670 1.00 1.00 O ATOM 1124 CB GLU A 77 83.289 -7.365 3.775 1.00 1.00 C ATOM 1125 CG GLU A 77 81.830 -7.306 3.317 1.00 1.00 C ATOM 1126 CD GLU A 77 81.249 -8.720 3.281 1.00 1.00 C ATOM 1127 OE1 GLU A 77 81.931 -9.608 2.797 1.00 1.00 O ATOM 1128 OE2 GLU A 77 80.130 -8.892 3.737 1.00 1.00 O ATOM 0 HA GLU A 77 82.612 -8.395 5.546 1.00 1.00 H new ATOM 0 HB2 GLU A 77 83.792 -6.427 3.542 1.00 1.00 H new ATOM 0 HB3 GLU A 77 83.818 -8.152 3.238 1.00 1.00 H new ATOM 0 HG2 GLU A 77 81.250 -6.680 3.995 1.00 1.00 H new ATOM 0 HG3 GLU A 77 81.766 -6.850 2.329 1.00 1.00 H new ATOM 1135 N LEU A 78 85.728 -7.809 4.867 1.00 1.00 N ATOM 1136 CA LEU A 78 87.111 -8.265 5.185 1.00 1.00 C ATOM 1137 C LEU A 78 88.119 -7.488 4.330 1.00 1.00 C ATOM 1138 O LEU A 78 88.823 -6.625 4.817 1.00 1.00 O ATOM 1139 CB LEU A 78 87.229 -9.763 4.885 1.00 1.00 C ATOM 1140 CG LEU A 78 88.456 -10.337 5.596 1.00 1.00 C ATOM 1141 CD1 LEU A 78 88.077 -10.745 7.020 1.00 1.00 C ATOM 1142 CD2 LEU A 78 88.959 -11.563 4.832 1.00 1.00 C ATOM 0 H LEU A 78 85.637 -7.262 4.011 1.00 1.00 H new ATOM 0 HA LEU A 78 87.322 -8.085 6.239 1.00 1.00 H new ATOM 0 HB2 LEU A 78 86.329 -10.282 5.216 1.00 1.00 H new ATOM 0 HB3 LEU A 78 87.312 -9.923 3.810 1.00 1.00 H new ATOM 0 HG LEU A 78 89.241 -9.582 5.632 1.00 1.00 H new ATOM 0 HD11 LEU A 78 88.951 -11.154 7.526 1.00 1.00 H new ATOM 0 HD12 LEU A 78 87.717 -9.872 7.565 1.00 1.00 H new ATOM 0 HD13 LEU A 78 87.292 -11.500 6.985 1.00 1.00 H new ATOM 0 HD21 LEU A 78 89.833 -11.973 5.337 1.00 1.00 H new ATOM 0 HD22 LEU A 78 88.173 -12.317 4.797 1.00 1.00 H new ATOM 0 HD23 LEU A 78 89.230 -11.273 3.817 1.00 1.00 H new ATOM 1154 N HIS A 79 88.195 -7.790 3.060 1.00 1.00 N ATOM 1155 CA HIS A 79 89.160 -7.075 2.171 1.00 1.00 C ATOM 1156 C HIS A 79 88.426 -5.979 1.393 1.00 1.00 C ATOM 1157 O HIS A 79 87.287 -5.662 1.676 1.00 1.00 O ATOM 1158 CB HIS A 79 89.778 -8.075 1.187 1.00 1.00 C ATOM 1159 CG HIS A 79 90.913 -8.802 1.855 1.00 1.00 C ATOM 1160 ND1 HIS A 79 91.968 -8.132 2.455 1.00 1.00 N ATOM 1161 CD2 HIS A 79 91.172 -10.140 2.026 1.00 1.00 C ATOM 1162 CE1 HIS A 79 92.807 -9.057 2.955 1.00 1.00 C ATOM 1163 NE2 HIS A 79 92.368 -10.295 2.720 1.00 1.00 N ATOM 0 H HIS A 79 87.629 -8.502 2.599 1.00 1.00 H new ATOM 0 HA HIS A 79 89.946 -6.623 2.775 1.00 1.00 H new ATOM 0 HB2 HIS A 79 89.023 -8.787 0.853 1.00 1.00 H new ATOM 0 HB3 HIS A 79 90.138 -7.553 0.300 1.00 1.00 H new ATOM 0 HD2 HIS A 79 90.545 -10.947 1.676 1.00 1.00 H new ATOM 0 HE1 HIS A 79 93.722 -8.826 3.481 1.00 1.00 H new ATOM 0 HE2 HIS A 79 92.815 -11.171 2.992 1.00 1.00 H new ATOM 1172 N GLU A 80 89.067 -5.403 0.408 1.00 1.00 N ATOM 1173 CA GLU A 80 88.407 -4.332 -0.398 1.00 1.00 C ATOM 1174 C GLU A 80 88.029 -4.905 -1.764 1.00 1.00 C ATOM 1175 O GLU A 80 87.153 -4.406 -2.442 1.00 1.00 O ATOM 1176 CB GLU A 80 89.372 -3.149 -0.581 1.00 1.00 C ATOM 1177 CG GLU A 80 90.815 -3.657 -0.581 1.00 1.00 C ATOM 1178 CD GLU A 80 91.388 -3.568 0.835 1.00 1.00 C ATOM 1179 OE1 GLU A 80 91.034 -4.404 1.649 1.00 1.00 O ATOM 1180 OE2 GLU A 80 92.172 -2.666 1.080 1.00 1.00 O ATOM 0 H GLU A 80 90.021 -5.629 0.127 1.00 1.00 H new ATOM 0 HA GLU A 80 87.512 -3.981 0.117 1.00 1.00 H new ATOM 0 HB2 GLU A 80 89.158 -2.634 -1.517 1.00 1.00 H new ATOM 0 HB3 GLU A 80 89.231 -2.425 0.221 1.00 1.00 H new ATOM 0 HG2 GLU A 80 90.849 -4.688 -0.934 1.00 1.00 H new ATOM 0 HG3 GLU A 80 91.420 -3.065 -1.267 1.00 1.00 H new ATOM 1187 N LEU A 81 88.685 -5.958 -2.166 1.00 1.00 N ATOM 1188 CA LEU A 81 88.376 -6.585 -3.481 1.00 1.00 C ATOM 1189 C LEU A 81 87.252 -7.605 -3.288 1.00 1.00 C ATOM 1190 O LEU A 81 86.373 -7.745 -4.116 1.00 1.00 O ATOM 1191 CB LEU A 81 89.629 -7.299 -4.005 1.00 1.00 C ATOM 1192 CG LEU A 81 90.457 -6.333 -4.855 1.00 1.00 C ATOM 1193 CD1 LEU A 81 90.543 -4.978 -4.151 1.00 1.00 C ATOM 1194 CD2 LEU A 81 91.865 -6.900 -5.043 1.00 1.00 C ATOM 0 H LEU A 81 89.427 -6.414 -1.636 1.00 1.00 H new ATOM 0 HA LEU A 81 88.066 -5.823 -4.196 1.00 1.00 H new ATOM 0 HB2 LEU A 81 90.226 -7.667 -3.170 1.00 1.00 H new ATOM 0 HB3 LEU A 81 89.343 -8.167 -4.599 1.00 1.00 H new ATOM 0 HG LEU A 81 89.982 -6.207 -5.828 1.00 1.00 H new ATOM 0 HD11 LEU A 81 91.133 -4.290 -4.757 1.00 1.00 H new ATOM 0 HD12 LEU A 81 89.540 -4.574 -4.016 1.00 1.00 H new ATOM 0 HD13 LEU A 81 91.018 -5.103 -3.178 1.00 1.00 H new ATOM 0 HD21 LEU A 81 92.456 -6.213 -5.648 1.00 1.00 H new ATOM 0 HD22 LEU A 81 92.339 -7.026 -4.070 1.00 1.00 H new ATOM 0 HD23 LEU A 81 91.804 -7.866 -5.545 1.00 1.00 H new ATOM 1206 N ALA A 82 87.279 -8.320 -2.197 1.00 1.00 N ATOM 1207 CA ALA A 82 86.221 -9.334 -1.941 1.00 1.00 C ATOM 1208 C ALA A 82 84.860 -8.642 -1.825 1.00 1.00 C ATOM 1209 O ALA A 82 84.334 -8.122 -2.790 1.00 1.00 O ATOM 1210 CB ALA A 82 86.530 -10.069 -0.636 1.00 1.00 C ATOM 0 H ALA A 82 87.991 -8.244 -1.470 1.00 1.00 H new ATOM 0 HA ALA A 82 86.194 -10.046 -2.766 1.00 1.00 H new ATOM 0 HB1 ALA A 82 85.756 -10.813 -0.445 1.00 1.00 H new ATOM 0 HB2 ALA A 82 87.498 -10.564 -0.718 1.00 1.00 H new ATOM 0 HB3 ALA A 82 86.557 -9.354 0.187 1.00 1.00 H new ATOM 1216 N GLN A 83 84.282 -8.638 -0.654 1.00 1.00 N ATOM 1217 CA GLN A 83 82.952 -7.987 -0.477 1.00 1.00 C ATOM 1218 C GLN A 83 81.974 -8.554 -1.508 1.00 1.00 C ATOM 1219 O GLN A 83 81.537 -7.864 -2.407 1.00 1.00 O ATOM 1220 CB GLN A 83 83.084 -6.474 -0.674 1.00 1.00 C ATOM 1221 CG GLN A 83 84.134 -5.920 0.292 1.00 1.00 C ATOM 1222 CD GLN A 83 83.873 -4.432 0.531 1.00 1.00 C ATOM 1223 OE1 GLN A 83 84.283 -3.880 1.640 1.00 1.00 O flip ATOM 1224 NE2 GLN A 83 83.291 -3.764 -0.300 1.00 1.00 N flip ATOM 0 H GLN A 83 84.674 -9.058 0.189 1.00 1.00 H new ATOM 0 HA GLN A 83 82.582 -8.184 0.529 1.00 1.00 H new ATOM 0 HB2 GLN A 83 83.370 -6.255 -1.703 1.00 1.00 H new ATOM 0 HB3 GLN A 83 82.123 -5.989 -0.500 1.00 1.00 H new ATOM 0 HG2 GLN A 83 84.097 -6.463 1.236 1.00 1.00 H new ATOM 0 HG3 GLN A 83 85.133 -6.063 -0.119 1.00 1.00 H new ATOM 0 HE21 GLN A 83 82.970 -4.195 -1.167 1.00 1.00 H new ATOM 0 HE22 GLN A 83 83.123 -2.772 -0.131 1.00 1.00 H new ATOM 1233 N TYR A 84 81.631 -9.807 -1.385 1.00 1.00 N ATOM 1234 CA TYR A 84 80.683 -10.425 -2.357 1.00 1.00 C ATOM 1235 C TYR A 84 81.396 -10.639 -3.694 1.00 1.00 C ATOM 1236 O TYR A 84 81.286 -11.682 -4.305 1.00 1.00 O ATOM 1237 CB TYR A 84 79.478 -9.499 -2.567 1.00 1.00 C ATOM 1238 CG TYR A 84 78.257 -10.327 -2.887 1.00 1.00 C ATOM 1239 CD1 TYR A 84 78.001 -10.716 -4.208 1.00 1.00 C ATOM 1240 CD2 TYR A 84 77.380 -10.706 -1.864 1.00 1.00 C ATOM 1241 CE1 TYR A 84 76.869 -11.484 -4.504 1.00 1.00 C ATOM 1242 CE2 TYR A 84 76.248 -11.474 -2.161 1.00 1.00 C ATOM 1243 CZ TYR A 84 75.992 -11.863 -3.481 1.00 1.00 C ATOM 1244 OH TYR A 84 74.876 -12.620 -3.774 1.00 1.00 O ATOM 0 H TYR A 84 81.967 -10.431 -0.652 1.00 1.00 H new ATOM 0 HA TYR A 84 80.339 -11.382 -1.966 1.00 1.00 H new ATOM 0 HB2 TYR A 84 79.302 -8.904 -1.671 1.00 1.00 H new ATOM 0 HB3 TYR A 84 79.680 -8.800 -3.379 1.00 1.00 H new ATOM 0 HD1 TYR A 84 78.677 -10.423 -4.998 1.00 1.00 H new ATOM 0 HD2 TYR A 84 77.577 -10.406 -0.845 1.00 1.00 H new ATOM 0 HE1 TYR A 84 76.672 -11.784 -5.522 1.00 1.00 H new ATOM 0 HE2 TYR A 84 75.572 -11.767 -1.371 1.00 1.00 H new ATOM 0 HH TYR A 84 74.375 -12.797 -2.950 1.00 1.00 H new ATOM 1254 N GLY A 85 82.121 -9.652 -4.153 1.00 1.00 N ATOM 1255 CA GLY A 85 82.842 -9.787 -5.453 1.00 1.00 C ATOM 1256 C GLY A 85 82.263 -8.795 -6.464 1.00 1.00 C ATOM 1257 O GLY A 85 81.920 -9.156 -7.573 1.00 1.00 O ATOM 0 H GLY A 85 82.245 -8.756 -3.682 1.00 1.00 H new ATOM 0 HA2 GLY A 85 83.906 -9.599 -5.312 1.00 1.00 H new ATOM 0 HA3 GLY A 85 82.746 -10.805 -5.830 1.00 1.00 H new ATOM 1261 N ILE A 86 82.154 -7.547 -6.095 1.00 1.00 N ATOM 1262 CA ILE A 86 81.602 -6.535 -7.042 1.00 1.00 C ATOM 1263 C ILE A 86 82.286 -5.184 -6.807 1.00 1.00 C ATOM 1264 O ILE A 86 82.126 -4.257 -7.574 1.00 1.00 O ATOM 1265 CB ILE A 86 80.092 -6.395 -6.824 1.00 1.00 C ATOM 1266 CG1 ILE A 86 79.500 -5.509 -7.922 1.00 1.00 C ATOM 1267 CG2 ILE A 86 79.830 -5.756 -5.459 1.00 1.00 C ATOM 1268 CD1 ILE A 86 77.978 -5.461 -7.774 1.00 1.00 C ATOM 0 H ILE A 86 82.423 -7.185 -5.180 1.00 1.00 H new ATOM 0 HA ILE A 86 81.788 -6.859 -8.066 1.00 1.00 H new ATOM 0 HB ILE A 86 79.627 -7.380 -6.859 1.00 1.00 H new ATOM 0 HG12 ILE A 86 79.914 -4.503 -7.855 1.00 1.00 H new ATOM 0 HG13 ILE A 86 79.768 -5.900 -8.904 1.00 1.00 H new ATOM 0 HG21 ILE A 86 78.756 -5.656 -5.304 1.00 1.00 H new ATOM 0 HG22 ILE A 86 80.253 -6.385 -4.676 1.00 1.00 H new ATOM 0 HG23 ILE A 86 80.295 -4.771 -5.423 1.00 1.00 H new ATOM 0 HD11 ILE A 86 77.556 -4.830 -8.556 1.00 1.00 H new ATOM 0 HD12 ILE A 86 77.572 -6.469 -7.862 1.00 1.00 H new ATOM 0 HD13 ILE A 86 77.720 -5.050 -6.798 1.00 1.00 H new ATOM 1280 N CYS A 87 83.050 -5.064 -5.758 1.00 1.00 N ATOM 1281 CA CYS A 87 83.739 -3.770 -5.488 1.00 1.00 C ATOM 1282 C CYS A 87 84.977 -3.655 -6.382 1.00 1.00 C ATOM 1283 CB CYS A 87 84.160 -3.711 -4.017 1.00 1.00 C ATOM 1284 SG CYS A 87 83.995 -2.014 -3.409 1.00 1.00 S ATOM 0 H CYS A 87 83.227 -5.803 -5.077 1.00 1.00 H new ATOM 0 HA CYS A 87 83.060 -2.945 -5.702 1.00 1.00 H new ATOM 0 HB2 CYS A 87 83.540 -4.383 -3.423 1.00 1.00 H new ATOM 0 HB3 CYS A 87 85.191 -4.049 -3.909 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 58.739 -8.918 4.396 1.00 1.00 C HETATM 1291 O1G RCY A 110 55.878 -12.301 1.570 1.00 1.00 O HETATM 1292 O1H RCY A 110 58.552 -10.822 5.170 1.00 1.00 O HETATM 1293 O1J RCY A 110 61.225 -9.919 3.024 1.00 1.00 O HETATM 1294 C1L RCY A 110 56.525 -13.313 3.702 1.00 1.00 C HETATM 1295 C1M RCY A 110 58.026 -9.931 0.909 1.00 1.00 C HETATM 1296 C1P RCY A 110 56.519 -12.228 2.617 1.00 1.00 C HETATM 1297 C1Q RCY A 110 58.030 -11.524 4.305 1.00 1.00 C HETATM 1298 N1R RCY A 110 57.407 -11.045 3.000 1.00 1.00 N HETATM 1299 C1S RCY A 110 57.889 -13.035 4.343 1.00 1.00 C HETATM 1300 C1U RCY A 110 57.622 -9.718 2.269 1.00 1.00 C HETATM 1301 C1V RCY A 110 58.768 -7.461 2.322 1.00 1.00 C HETATM 1302 N1V RCY A 110 59.961 -9.663 2.341 1.00 1.00 N HETATM 1303 C1W RCY A 110 59.550 -10.109 0.939 1.00 1.00 C HETATM 1304 C1X RCY A 110 58.759 -8.890 2.867 1.00 1.00 C HETATM 1305 C1Y RCY A 110 60.216 -9.227 -0.121 1.00 1.00 C HETATM 1306 C1Z RCY A 110 59.942 -11.574 0.745 1.00 1.00 C HETATM 0 H1ZB RCY A 110 59.507 -12.176 1.543 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 59.571 -11.925 -0.218 1.00 1.00 H new HETATM 0 H1YB RCY A 110 59.848 -9.504 -1.109 1.00 1.00 H new HETATM 0 H1YA RCY A 110 59.979 -8.181 0.074 1.00 1.00 H new HETATM 0 H1VB RCY A 110 57.874 -6.937 2.661 1.00 1.00 H new HETATM 0 H1MA RCY A 110 57.539 -10.812 0.492 1.00 1.00 H new HETATM 0 H1LA RCY A 110 55.702 -13.202 4.408 1.00 1.00 H new HETATM 0 H1CB RCY A 110 57.794 -8.511 4.755 1.00 1.00 H new HETATM 0 H1Z RCY A 110 61.028 -11.667 0.771 1.00 1.00 H new HETATM 0 H1Y RCY A 110 61.296 -9.367 -0.084 1.00 1.00 H new HETATM 0 H1V RCY A 110 58.782 -7.487 1.232 1.00 1.00 H new HETATM 0 H1U RCY A 110 56.664 -9.205 2.355 1.00 1.00 H new HETATM 0 H1S RCY A 110 58.693 -13.522 3.791 1.00 1.00 H new HETATM 0 H1M RCY A 110 57.745 -9.085 0.282 1.00 1.00 H new HETATM 0 H1L RCY A 110 56.456 -14.319 3.287 1.00 1.00 H new HETATM 1309 C1C RCY A 121 68.764 -4.966 -9.778 1.00 1.00 C HETATM 1310 O1G RCY A 121 72.901 -7.907 -10.260 1.00 1.00 O HETATM 1311 O1H RCY A 121 68.195 -8.231 -10.034 1.00 1.00 O HETATM 1312 O1J RCY A 121 70.001 -2.838 -8.043 1.00 1.00 O HETATM 1313 C1L RCY A 121 71.273 -9.398 -11.313 1.00 1.00 C HETATM 1314 C1M RCY A 121 71.821 -6.213 -8.105 1.00 1.00 C HETATM 1315 C1P RCY A 121 71.731 -8.263 -10.389 1.00 1.00 C HETATM 1316 C1Q RCY A 121 69.391 -8.514 -10.085 1.00 1.00 C HETATM 1317 N1R RCY A 121 70.554 -7.631 -9.648 1.00 1.00 N HETATM 1318 C1S RCY A 121 69.983 -9.814 -10.598 1.00 1.00 C HETATM 1319 C1U RCY A 121 70.536 -6.425 -8.708 1.00 1.00 C HETATM 1320 C1V RCY A 121 71.139 -4.936 -10.665 1.00 1.00 C HETATM 1321 N1V RCY A 121 70.640 -4.113 -8.354 1.00 1.00 N HETATM 1322 C1W RCY A 121 71.850 -4.743 -7.667 1.00 1.00 C HETATM 1323 C1X RCY A 121 70.248 -5.112 -9.434 1.00 1.00 C HETATM 1324 C1Y RCY A 121 73.142 -4.068 -8.133 1.00 1.00 C HETATM 1325 C1Z RCY A 121 71.690 -4.613 -6.152 1.00 1.00 C HETATM 0 H1ZB RCY A 121 70.737 -5.047 -5.848 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 72.504 -5.140 -5.654 1.00 1.00 H new HETATM 0 H1YB RCY A 121 73.999 -4.583 -7.698 1.00 1.00 H new HETATM 0 H1YA RCY A 121 73.205 -4.114 -9.220 1.00 1.00 H new HETATM 0 H1VB RCY A 121 70.885 -5.691 -11.409 1.00 1.00 H new HETATM 0 H1VA RCY A 121 70.983 -3.944 -11.088 1.00 1.00 H new HETATM 0 H1MA RCY A 121 71.965 -6.876 -7.252 1.00 1.00 H new HETATM 0 H1LA RCY A 121 71.094 -9.059 -12.333 1.00 1.00 H new HETATM 0 H1CB RCY A 121 68.458 -5.788 -10.425 1.00 1.00 H new HETATM 0 H1CA RCY A 121 68.174 -4.986 -8.861 1.00 1.00 H new HETATM 0 H1Z RCY A 121 71.715 -3.560 -5.873 1.00 1.00 H new HETATM 0 H1Y RCY A 121 73.144 -3.026 -7.813 1.00 1.00 H new HETATM 0 H1V RCY A 121 72.184 -5.047 -10.377 1.00 1.00 H new HETATM 0 H1U RCY A 121 69.758 -6.662 -7.983 1.00 1.00 H new HETATM 0 H1S RCY A 121 70.188 -10.505 -9.781 1.00 1.00 H new HETATM 0 H1M RCY A 121 72.623 -6.424 -8.812 1.00 1.00 H new HETATM 0 H1L RCY A 121 71.999 -10.209 -11.369 1.00 1.00 H new HETATM 0 H1C RCY A 121 68.601 -4.019 -10.293 1.00 1.00 H new HETATM 1328 C1C RCY A 130 77.953 4.183 -9.422 1.00 1.00 C HETATM 1329 O1G RCY A 130 73.473 6.460 -10.656 1.00 1.00 O HETATM 1330 O1H RCY A 130 75.519 2.215 -10.959 1.00 1.00 O HETATM 1331 O1J RCY A 130 78.148 4.050 -6.419 1.00 1.00 O HETATM 1332 C1L RCY A 130 73.384 4.673 -12.325 1.00 1.00 C HETATM 1333 C1M RCY A 130 74.617 4.487 -7.850 1.00 1.00 C HETATM 1334 C1P RCY A 130 73.860 5.356 -11.037 1.00 1.00 C HETATM 1335 C1Q RCY A 130 75.067 3.323 -11.240 1.00 1.00 C HETATM 1336 N1R RCY A 130 74.874 4.495 -10.285 1.00 1.00 N HETATM 1337 C1S RCY A 130 74.595 3.777 -12.609 1.00 1.00 C HETATM 1338 C1U RCY A 130 75.533 4.738 -8.926 1.00 1.00 C HETATM 1339 C1V RCY A 130 76.305 2.326 -8.911 1.00 1.00 C HETATM 1340 N1V RCY A 130 76.890 4.018 -7.160 1.00 1.00 N HETATM 1341 C1W RCY A 130 75.478 4.213 -6.611 1.00 1.00 C HETATM 1342 C1X RCY A 130 76.694 3.783 -8.651 1.00 1.00 C HETATM 1343 C1Y RCY A 130 75.002 2.946 -5.895 1.00 1.00 C HETATM 1344 C1Z RCY A 130 75.473 5.406 -5.655 1.00 1.00 C HETATM 0 H1ZB RCY A 130 75.871 6.283 -6.166 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 74.452 5.607 -5.330 1.00 1.00 H new HETATM 0 H1YB RCY A 130 73.965 3.072 -5.584 1.00 1.00 H new HETATM 0 H1YA RCY A 130 75.077 2.095 -6.572 1.00 1.00 H new HETATM 0 H1VB RCY A 130 76.113 2.185 -9.975 1.00 1.00 H new HETATM 0 H1VA RCY A 130 77.119 1.671 -8.599 1.00 1.00 H new HETATM 0 H1MA RCY A 130 73.963 5.344 -7.688 1.00 1.00 H new HETATM 0 H1LA RCY A 130 72.467 4.102 -12.180 1.00 1.00 H new HETATM 0 H1CB RCY A 130 77.744 4.169 -10.492 1.00 1.00 H new HETATM 0 H1CA RCY A 130 78.258 5.186 -9.125 1.00 1.00 H new HETATM 0 H1Z RCY A 130 76.092 5.179 -4.787 1.00 1.00 H new HETATM 0 H1Y RCY A 130 75.625 2.768 -5.018 1.00 1.00 H new HETATM 0 H1V RCY A 130 75.406 2.083 -8.345 1.00 1.00 H new HETATM 0 H1U RCY A 130 75.867 5.774 -8.971 1.00 1.00 H new HETATM 0 H1S RCY A 130 75.377 4.323 -13.137 1.00 1.00 H new HETATM 0 H1M RCY A 130 73.976 3.635 -8.075 1.00 1.00 H new HETATM 0 H1L RCY A 130 73.193 5.384 -13.129 1.00 1.00 H new HETATM 0 H1C RCY A 130 78.755 3.479 -9.199 1.00 1.00 H new HETATM 1347 C1C RCY A 138 84.878 1.716 -1.805 1.00 1.00 C HETATM 1348 O1G RCY A 138 83.657 3.752 -3.069 1.00 1.00 O HETATM 1349 O1H RCY A 138 86.470 6.954 -1.035 1.00 1.00 O HETATM 1350 O1J RCY A 138 85.670 0.440 0.806 1.00 1.00 O HETATM 1351 C1L RCY A 138 83.992 6.150 -3.419 1.00 1.00 C HETATM 1352 C1M RCY A 138 86.003 4.257 0.639 1.00 1.00 C HETATM 1353 C1P RCY A 138 84.217 4.795 -2.736 1.00 1.00 C HETATM 1354 C1Q RCY A 138 85.499 6.401 -1.549 1.00 1.00 C HETATM 1355 N1R RCY A 138 85.223 4.903 -1.591 1.00 1.00 N HETATM 1356 C1S RCY A 138 84.350 7.090 -2.263 1.00 1.00 C HETATM 1357 C1U RCY A 138 85.808 3.799 -0.707 1.00 1.00 C HETATM 1358 C1V RCY A 138 83.455 3.032 -0.171 1.00 1.00 C HETATM 1359 N1V RCY A 138 85.539 1.880 0.605 1.00 1.00 N HETATM 1360 C1W RCY A 138 86.042 2.999 1.516 1.00 1.00 C HETATM 1361 C1X RCY A 138 84.872 2.601 -0.557 1.00 1.00 C HETATM 1362 C1Y RCY A 138 85.119 3.159 2.727 1.00 1.00 C HETATM 1363 C1Z RCY A 138 87.468 2.678 1.964 1.00 1.00 C HETATM 0 H1ZB RCY A 138 88.095 2.510 1.089 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 87.865 3.514 2.540 1.00 1.00 H new HETATM 0 H1YB RCY A 138 85.443 4.014 3.321 1.00 1.00 H new HETATM 0 H1YA RCY A 138 84.096 3.320 2.386 1.00 1.00 H new HETATM 0 H1VB RCY A 138 83.010 3.595 -0.991 1.00 1.00 H new HETATM 0 H1VA RCY A 138 82.849 2.149 0.034 1.00 1.00 H new HETATM 0 H1MA RCY A 138 86.931 4.822 0.728 1.00 1.00 H new HETATM 0 H1LA RCY A 138 84.636 6.292 -4.287 1.00 1.00 H new HETATM 0 H1CB RCY A 138 84.552 2.299 -2.666 1.00 1.00 H new HETATM 0 H1Z RCY A 138 87.462 1.781 2.584 1.00 1.00 H new HETATM 0 H1Y RCY A 138 85.160 2.257 3.337 1.00 1.00 H new HETATM 0 H1V RCY A 138 83.495 3.659 0.720 1.00 1.00 H new HETATM 0 H1S RCY A 138 83.501 7.239 -1.596 1.00 1.00 H new HETATM 0 H1M RCY A 138 85.195 4.921 0.946 1.00 1.00 H new HETATM 0 H1L RCY A 138 82.965 6.280 -3.760 1.00 1.00 H new HETATM 1366 C1C RCY A 150 77.692 5.024 4.616 1.00 1.00 C HETATM 1367 O1G RCY A 150 75.255 6.746 3.850 1.00 1.00 O HETATM 1368 O1H RCY A 150 75.263 7.642 8.487 1.00 1.00 O HETATM 1369 O1J RCY A 150 77.659 2.097 5.324 1.00 1.00 O HETATM 1370 C1L RCY A 150 74.573 8.681 5.183 1.00 1.00 C HETATM 1371 C1M RCY A 150 75.105 4.293 7.159 1.00 1.00 C HETATM 1372 C1P RCY A 150 75.101 7.259 4.957 1.00 1.00 C HETATM 1373 C1Q RCY A 150 74.937 7.582 7.302 1.00 1.00 C HETATM 1374 N1R RCY A 150 75.411 6.557 6.279 1.00 1.00 N HETATM 1375 C1S RCY A 150 73.982 8.522 6.588 1.00 1.00 C HETATM 1376 C1U RCY A 150 76.035 5.182 6.523 1.00 1.00 C HETATM 1377 C1V RCY A 150 75.252 4.459 4.226 1.00 1.00 C HETATM 1378 N1V RCY A 150 76.648 3.056 5.761 1.00 1.00 N HETATM 1379 C1W RCY A 150 75.596 2.872 6.853 1.00 1.00 C HETATM 1380 C1X RCY A 150 76.408 4.462 5.228 1.00 1.00 C HETATM 1381 C1Y RCY A 150 74.443 2.002 6.345 1.00 1.00 C HETATM 1382 C1Z RCY A 150 76.253 2.236 8.078 1.00 1.00 C HETATM 0 H1ZB RCY A 150 77.107 2.839 8.387 1.00 1.00 H new HETATM 0 H1VB RCY A 150 75.054 5.479 3.896 1.00 1.00 H new HETATM 0 H1VA RCY A 150 75.517 3.844 3.366 1.00 1.00 H new HETATM 0 H1MA RCY A 150 75.070 4.470 8.234 1.00 1.00 H new HETATM 0 H1LA RCY A 150 75.364 9.430 5.145 1.00 1.00 H new HETATM 0 H1CB RCY A 150 77.556 6.082 4.392 1.00 1.00 H new HETATM 0 H1CA RCY A 150 78.514 4.906 5.322 1.00 1.00 H new HETATM 0 H1V RCY A 150 74.359 4.052 4.701 1.00 1.00 H new HETATM 0 H1U RCY A 150 76.914 5.390 7.133 1.00 1.00 H new HETATM 0 H1S RCY A 150 72.974 8.109 6.550 1.00 1.00 H new HETATM 0 H1M RCY A 150 74.096 4.447 6.777 1.00 1.00 H new HETATM 0 H1L RCY A 150 73.824 8.970 4.446 1.00 1.00 H new HETATM 0 H1C RCY A 150 77.923 4.485 3.697 1.00 1.00 H new HETATM 1385 C1C RCY A 160 70.020 2.057 1.748 1.00 1.00 C HETATM 1386 O1G RCY A 160 69.761 6.074 -0.380 1.00 1.00 O HETATM 1387 O1H RCY A 160 68.317 1.832 -1.873 1.00 1.00 O HETATM 1388 O1J RCY A 160 72.939 1.990 2.486 1.00 1.00 O HETATM 1389 C1L RCY A 160 67.757 5.305 -1.555 1.00 1.00 C HETATM 1390 C1M RCY A 160 72.076 3.831 -0.766 1.00 1.00 C HETATM 1391 C1P RCY A 160 69.137 5.151 -0.902 1.00 1.00 C HETATM 1392 C1Q RCY A 160 68.551 3.038 -1.809 1.00 1.00 C HETATM 1393 N1R RCY A 160 69.639 3.710 -0.981 1.00 1.00 N HETATM 1394 C1S RCY A 160 67.804 4.136 -2.545 1.00 1.00 C HETATM 1395 C1U RCY A 160 70.906 3.092 -0.387 1.00 1.00 C HETATM 1396 C1V RCY A 160 70.594 4.525 1.677 1.00 1.00 C HETATM 1397 N1V RCY A 160 72.387 2.799 1.402 1.00 1.00 N HETATM 1398 C1W RCY A 160 73.149 3.499 0.279 1.00 1.00 C HETATM 1399 C1X RCY A 160 70.925 3.131 1.141 1.00 1.00 C HETATM 1400 C1Y RCY A 160 73.810 4.780 0.797 1.00 1.00 C HETATM 1401 C1Z RCY A 160 74.198 2.542 -0.287 1.00 1.00 C HETATM 0 H1ZB RCY A 160 73.716 1.614 -0.595 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 74.683 3.002 -1.148 1.00 1.00 H new HETATM 0 H1YB RCY A 160 74.277 5.310 -0.033 1.00 1.00 H new HETATM 0 H1YA RCY A 160 73.055 5.419 1.256 1.00 1.00 H new HETATM 0 H1VB RCY A 160 69.561 4.772 1.434 1.00 1.00 H new HETATM 0 H1VA RCY A 160 70.726 4.540 2.759 1.00 1.00 H new HETATM 0 H1CB RCY A 160 68.994 2.215 1.415 1.00 1.00 H new HETATM 0 H1CA RCY A 160 70.359 1.072 1.427 1.00 1.00 H new HETATM 0 H1Z RCY A 160 74.944 2.326 0.478 1.00 1.00 H new HETATM 0 H1Y RCY A 160 74.568 4.524 1.537 1.00 1.00 H new HETATM 0 H1V RCY A 160 71.260 5.258 1.221 1.00 1.00 H new HETATM 0 H1S RCY A 160 68.317 4.416 -3.465 1.00 1.00 H new HETATM 0 H1M RCY A 160 71.871 4.901 -0.787 1.00 1.00 H new HETATM 0 H1L RCY A 160 67.635 6.268 -2.051 1.00 1.00 H new HETATM 0 H1C RCY A 160 70.062 2.118 2.835 1.00 1.00 H new HETATM 1404 C1C RCY A 168 73.735 2.157 0.301 1.00 1.00 C HETATM 1405 O1G RCY A 168 69.678 -1.434 0.126 1.00 1.00 O HETATM 1406 O1H RCY A 168 71.914 1.832 2.703 1.00 1.00 O HETATM 1407 O1J RCY A 168 73.375 3.740 -2.235 1.00 1.00 O HETATM 1408 C1L RCY A 168 69.880 -1.050 2.534 1.00 1.00 C HETATM 1409 C1M RCY A 168 70.446 1.469 -1.249 1.00 1.00 C HETATM 1410 C1P RCY A 168 70.155 -0.777 1.050 1.00 1.00 C HETATM 1411 C1Q RCY A 168 71.458 0.763 2.300 1.00 1.00 C HETATM 1412 N1R RCY A 168 71.096 0.412 0.862 1.00 1.00 N HETATM 1413 C1S RCY A 168 71.152 -0.457 3.150 1.00 1.00 C HETATM 1414 C1U RCY A 168 71.561 1.086 -0.430 1.00 1.00 C HETATM 1415 C1V RCY A 168 71.530 3.318 0.764 1.00 1.00 C HETATM 1416 N1V RCY A 168 72.312 2.975 -1.590 1.00 1.00 N HETATM 1417 C1W RCY A 168 70.960 2.576 -2.178 1.00 1.00 C HETATM 1418 C1X RCY A 168 72.304 2.397 -0.182 1.00 1.00 C HETATM 1419 C1Y RCY A 168 70.001 3.770 -2.175 1.00 1.00 C HETATM 1420 C1Z RCY A 168 71.167 2.056 -3.601 1.00 1.00 C HETATM 0 H1ZB RCY A 168 71.897 1.246 -3.590 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 70.220 1.686 -3.994 1.00 1.00 H new HETATM 0 H1MA RCY A 168 70.074 0.620 -1.823 1.00 1.00 H new HETATM 0 H1LA RCY A 168 68.975 -0.556 2.889 1.00 1.00 H new HETATM 0 H1CB RCY A 168 73.714 1.594 1.234 1.00 1.00 H new HETATM 0 H1CA RCY A 168 74.283 1.591 -0.452 1.00 1.00 H new HETATM 0 H1Z RCY A 168 71.532 2.865 -4.234 1.00 1.00 H new HETATM 0 H1Y RCY A 168 70.383 4.545 -2.840 1.00 1.00 H new HETATM 0 H1U RCY A 168 72.205 0.344 -0.903 1.00 1.00 H new HETATM 0 H1S RCY A 168 71.974 -1.172 3.127 1.00 1.00 H new HETATM 0 H1M RCY A 168 69.618 1.827 -0.637 1.00 1.00 H new HETATM 0 H1L RCY A 168 69.768 -2.113 2.749 1.00 1.00 H new HETATM 1423 C1C RCY A 173 77.383 -1.287 4.508 1.00 1.00 C HETATM 1424 O1G RCY A 173 74.981 2.361 7.441 1.00 1.00 O HETATM 1425 O1H RCY A 173 77.331 -1.733 7.562 1.00 1.00 O HETATM 1426 O1J RCY A 173 75.956 -0.681 1.926 1.00 1.00 O HETATM 1427 C1L RCY A 173 76.413 1.301 9.118 1.00 1.00 C HETATM 1428 C1M RCY A 173 74.381 0.794 5.096 1.00 1.00 C HETATM 1429 C1P RCY A 173 75.656 1.393 7.787 1.00 1.00 C HETATM 1430 C1Q RCY A 173 76.651 -0.759 7.881 1.00 1.00 C HETATM 1431 N1R RCY A 173 75.844 0.132 6.945 1.00 1.00 N HETATM 1432 C1S RCY A 173 76.461 -0.221 9.288 1.00 1.00 C HETATM 1433 C1U RCY A 173 75.353 -0.169 5.527 1.00 1.00 C HETATM 1434 C1V RCY A 173 77.247 1.242 4.612 1.00 1.00 C HETATM 1435 N1V RCY A 173 75.632 -0.058 3.206 1.00 1.00 N HETATM 1436 C1W RCY A 173 74.384 0.748 3.563 1.00 1.00 C HETATM 1437 C1X RCY A 173 76.463 -0.066 4.482 1.00 1.00 C HETATM 1438 C1Y RCY A 173 74.476 2.162 2.982 1.00 1.00 C HETATM 1439 C1Z RCY A 173 73.150 0.023 3.026 1.00 1.00 C HETATM 0 H1ZB RCY A 173 73.136 -1.000 3.403 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 72.250 0.543 3.355 1.00 1.00 H new HETATM 0 H1YA RCY A 173 75.396 2.636 3.323 1.00 1.00 H new HETATM 0 H1VA RCY A 173 77.951 1.328 3.784 1.00 1.00 H new HETATM 0 H1MA RCY A 173 73.394 0.554 5.491 1.00 1.00 H new HETATM 0 H1CB RCY A 173 77.846 -1.373 5.491 1.00 1.00 H new HETATM 0 H1CA RCY A 173 76.801 -2.185 4.301 1.00 1.00 H new HETATM 0 H1Z RCY A 173 73.182 0.008 1.937 1.00 1.00 H new HETATM 0 H1Y RCY A 173 74.477 2.109 1.893 1.00 1.00 H new HETATM 0 H1U RCY A 173 74.953 -1.181 5.590 1.00 1.00 H new HETATM 0 H1S RCY A 173 75.542 -0.599 9.736 1.00 1.00 H new HETATM 0 H1L RCY A 173 75.885 1.796 9.933 1.00 1.00 H new HETATM 0 H1C RCY A 173 78.158 -1.175 3.750 1.00 1.00 H new HETATM 1442 C1C RCY A 176 79.520 -4.065 4.783 1.00 1.00 C HETATM 1443 O1G RCY A 176 82.845 -7.383 4.501 1.00 1.00 O HETATM 1444 O1H RCY A 176 82.179 -2.731 4.970 1.00 1.00 O HETATM 1445 O1J RCY A 176 80.480 -1.514 3.503 1.00 1.00 O HETATM 1446 C1L RCY A 176 83.826 -5.690 5.971 1.00 1.00 C HETATM 1447 C1M RCY A 176 81.613 -4.764 1.812 1.00 1.00 C HETATM 1448 C1P RCY A 176 82.927 -6.203 4.839 1.00 1.00 C HETATM 1449 C1Q RCY A 176 82.703 -3.842 4.897 1.00 1.00 C HETATM 1450 N1R RCY A 176 82.145 -5.066 4.183 1.00 1.00 N HETATM 1451 C1S RCY A 176 84.034 -4.245 5.506 1.00 1.00 C HETATM 1452 C1U RCY A 176 81.075 -5.129 3.091 1.00 1.00 C HETATM 1453 C1V RCY A 176 78.752 -4.404 2.390 1.00 1.00 C HETATM 1454 N1V RCY A 176 80.637 -2.838 2.907 1.00 1.00 N HETATM 1455 C1W RCY A 176 81.534 -3.234 1.736 1.00 1.00 C HETATM 1456 C1X RCY A 176 79.941 -4.129 3.313 1.00 1.00 C HETATM 1457 C1Y RCY A 176 80.911 -2.792 0.409 1.00 1.00 C HETATM 1458 C1Z RCY A 176 82.911 -2.597 1.923 1.00 1.00 C HETATM 0 H1ZB RCY A 176 83.311 -2.875 2.898 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 83.584 -2.949 1.141 1.00 1.00 H new HETATM 0 H1YB RCY A 176 81.521 -3.155 -0.418 1.00 1.00 H new HETATM 0 H1YA RCY A 176 79.904 -3.202 0.325 1.00 1.00 H new HETATM 0 H1VB RCY A 176 78.298 -5.358 2.656 1.00 1.00 H new HETATM 0 H1VA RCY A 176 78.015 -3.608 2.499 1.00 1.00 H new HETATM 0 H1MA RCY A 176 82.643 -5.106 1.711 1.00 1.00 H new HETATM 0 H1CB RCY A 176 79.178 -5.048 5.107 1.00 1.00 H new HETATM 0 H1CA RCY A 176 80.370 -3.759 5.392 1.00 1.00 H new HETATM 0 H1Z RCY A 176 82.821 -1.512 1.864 1.00 1.00 H new HETATM 0 H1Y RCY A 176 80.864 -1.704 0.374 1.00 1.00 H new HETATM 0 H1V RCY A 176 79.095 -4.441 1.356 1.00 1.00 H new HETATM 0 H1U RCY A 176 80.715 -6.157 3.126 1.00 1.00 H new HETATM 0 H1S RCY A 176 84.841 -4.176 4.776 1.00 1.00 H new HETATM 0 H1M RCY A 176 81.043 -5.224 1.004 1.00 1.00 H new HETATM 0 H1L RCY A 176 84.762 -6.244 6.044 1.00 1.00 H new HETATM 0 H1C RCY A 176 78.712 -3.343 4.899 1.00 1.00 H new HETATM 1461 C1C RCY A 187 86.292 2.837 -1.393 1.00 1.00 C HETATM 1462 O1G RCY A 187 88.537 -0.413 -5.201 1.00 1.00 O HETATM 1463 O1H RCY A 187 85.068 0.477 -2.123 1.00 1.00 O HETATM 1464 O1J RCY A 187 88.268 5.102 -1.571 1.00 1.00 O HETATM 1465 C1L RCY A 187 86.360 -1.449 -4.786 1.00 1.00 C HETATM 1466 C1M RCY A 187 89.046 2.028 -3.728 1.00 1.00 C HETATM 1467 C1P RCY A 187 87.505 -0.460 -4.534 1.00 1.00 C HETATM 1468 C1Q RCY A 187 85.883 -0.102 -2.840 1.00 1.00 C HETATM 1469 N1R RCY A 187 87.204 0.458 -3.351 1.00 1.00 N HETATM 1470 C1S RCY A 187 85.756 -1.515 -3.379 1.00 1.00 C HETATM 1471 C1U RCY A 187 88.014 1.639 -2.810 1.00 1.00 C HETATM 1472 C1V RCY A 187 86.363 3.221 -3.898 1.00 1.00 C HETATM 1473 N1V RCY A 187 88.278 3.936 -2.450 1.00 1.00 N HETATM 1474 C1W RCY A 187 89.397 3.481 -3.385 1.00 1.00 C HETATM 1475 C1X RCY A 187 87.175 2.904 -2.640 1.00 1.00 C HETATM 1476 C1Y RCY A 187 89.422 4.342 -4.650 1.00 1.00 C HETATM 1477 C1Z RCY A 187 90.733 3.569 -2.646 1.00 1.00 C HETATM 0 H1ZB RCY A 187 90.674 2.998 -1.719 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 91.524 3.160 -3.275 1.00 1.00 H new HETATM 0 H1YB RCY A 187 90.170 3.952 -5.341 1.00 1.00 H new HETATM 0 H1YA RCY A 187 88.441 4.319 -5.125 1.00 1.00 H new HETATM 0 H1VB RCY A 187 85.613 2.445 -4.052 1.00 1.00 H new HETATM 0 H1VA RCY A 187 85.868 4.185 -3.778 1.00 1.00 H new HETATM 0 H1MA RCY A 187 89.919 1.383 -3.629 1.00 1.00 H new HETATM 0 H1LA RCY A 187 85.650 -1.085 -5.528 1.00 1.00 H new HETATM 0 H1Z RCY A 187 90.954 4.611 -2.417 1.00 1.00 H new HETATM 0 H1Y RCY A 187 89.673 5.369 -4.386 1.00 1.00 H new HETATM 0 H1V RCY A 187 87.028 3.259 -4.760 1.00 1.00 H new HETATM 0 H1U RCY A 187 88.403 1.284 -1.856 1.00 1.00 H new HETATM 0 H1S RCY A 187 86.291 -2.228 -2.751 1.00 1.00 H new HETATM 0 H1M RCY A 187 88.702 1.943 -4.759 1.00 1.00 H new HETATM 0 H1L RCY A 187 86.715 -2.419 -5.134 1.00 1.00 H new