USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=17 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 18 GLY H : A 18 GLY N : A 121 RCY C1V :(H bumps) USER MOD NoAdj-H: A 83 GLNHE21 : A 83 GLN NE2 : A 187 RCY C1M :(H bumps) USER MOD NoAdj-H: A 83 GLNHE22 : A 83 GLN NE2 : A 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1VB : A 121 RCY C1V : A 18 GLY N :(H bumps) USER MOD NoAdj-H: A 121 RCYH1VA : A 121 RCY C1V : A 18 GLY N :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCY H1V : A 121 RCY C1V : A 17 MET C :(H bumps) USER MOD NoAdj-H: A 121 RCY H1S : A 121 RCY C1S : A 21 CYS O :(H bumps) USER MOD NoAdj-H: A 121 RCY H1L : A 121 RCY C1L : A 21 CYS C :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1Z : A 130 RCY C1Z : A 160 RCY C1P :(H bumps) USER MOD NoAdj-H: A 138 RCYH1ZA : A 138 RCY C1Z : A 54 ILE CG1 :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YB : A 138 RCY C1Y : A 54 ILE CB :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YA : A 138 RCY C1Y : A 54 ILE CB :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VB : A 138 RCY C1V : A 55 PRO CD :(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 RCYH1LA : A 138 RCY C1L : A 150 RCY C1V :(H bumps) USER MOD NoAdj-H: A 138 RCYH1CB : A 138 RCY C1C : A 150 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 138 RCY H1Y : A 138 RCY C1Y : A 54 ILE CB :(H bumps) USER MOD NoAdj-H: A 138 RCY H1V : A 138 RCY C1V : A 55 PRO N :(H bumps) USER MOD NoAdj-H: A 138 RCY H1S : A 138 RCY C1S : A 150 RCY C1X :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VB : A 150 RCY C1V : A 138 RCY C1L :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VA : A 150 RCY C1V : A 138 RCY C1Q :(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 RCYH1CB : A 150 RCY C1C : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Y : A 150 RCY C1Y : A 138 RCY C1C :(H bumps) USER MOD NoAdj-H: A 150 RCY H1V : A 150 RCY C1V : A 138 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 150 RCY H1C : A 150 RCY C1C : A 38 CYS SG :(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 RCY H1L : A 160 RCY C1L : A 130 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 173 RCYH1ZB : A 173 RCY C1Z : A 176 RCY C1C :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZA : A 173 RCY C1Z : A 176 RCY C1X :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 176 RCY C1U :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 176 RCY C1L :(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 RCYH1CB : A 173 RCY C1C : A 176 RCY C1S :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CA : A 173 RCY C1C : A 176 RCY C1S :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Z : A 173 RCY C1Z : A 176 RCY C1X :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 176 RCY C1P :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 176 RCYH1LA : A 176 RCY C1L : A 173 RCY C1V :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CB : A 176 RCY C1C : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CA : A 176 RCY C1C : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCY H1U : A 176 RCY C1U : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCY H1S : A 176 RCY C1S : A 173 RCY C1U :(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 RCY H1Z : A 187 RCY C1Z : A 83 GLN CG :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Y : A 187 RCY C1Y : A 83 GLN CG :(H bumps) USER MOD Set 1.1: A 31 LYS NZ :NH3+ 178:sc= 1.15 (180deg=0) USER MOD Set 1.2: A 34 GLN :FLIP amide:sc= 1.08 F(o=-12!,f=2.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN :FLIP amide:sc=-0.00918! F(o=-1,f=-0.0092!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.131 USER MOD Single : A 14 THR OG1 : rot -36:sc= 0.151! USER MOD Single : A 17 MET CE :methyl -156:sc= -0.529 (180deg=-0.994!) USER MOD Single : A 22 THR OG1 : rot 61:sc= 0.863 USER MOD Single : A 25 LYS NZ :NH3+ -162:sc= -0.0185 (180deg=-0.265) USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= -0.0687 (180deg=-0.781) USER MOD Single : A 32 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.17) USER MOD Single : A 35 THR OG1 : rot -37:sc= 0.353 USER MOD Single : A 37 GLN :FLIP amide:sc= 1.23 F(o=0.25,f=1.2) USER MOD Single : A 39 LYS NZ :NH3+ 164:sc=-0.00743 (180deg=-0.119) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.447) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.893 K(o=-0.89,f=-2.1) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -28:sc= -17! USER MOD Single : A 65 THR OG1 : rot 180:sc=0.000335 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 75 HIS : no HD1:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -39.1! C(o=-39!,f=-40!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 54.805 -22.161 -0.558 1.00 1.00 N ATOM 2 CA MET A 1 54.348 -20.744 -0.624 1.00 1.00 C ATOM 3 C MET A 1 55.288 -19.866 0.206 1.00 1.00 C ATOM 4 O MET A 1 56.172 -19.219 -0.320 1.00 1.00 O ATOM 5 CB MET A 1 52.925 -20.642 -0.069 1.00 1.00 C ATOM 6 CG MET A 1 52.348 -19.263 -0.394 1.00 1.00 C ATOM 7 SD MET A 1 50.634 -19.175 0.183 1.00 1.00 S ATOM 8 CE MET A 1 49.850 -19.724 -1.353 1.00 1.00 C ATOM 0 H1 MET A 1 54.167 -22.758 -1.122 1.00 1.00 H new ATOM 0 H2 MET A 1 55.771 -22.232 -0.937 1.00 1.00 H new ATOM 0 H3 MET A 1 54.797 -22.483 0.431 1.00 1.00 H new ATOM 0 HA MET A 1 54.358 -20.405 -1.660 1.00 1.00 H new ATOM 0 HB2 MET A 1 52.298 -21.421 -0.502 1.00 1.00 H new ATOM 0 HB3 MET A 1 52.932 -20.800 1.009 1.00 1.00 H new ATOM 0 HG2 MET A 1 52.944 -18.486 0.084 1.00 1.00 H new ATOM 0 HG3 MET A 1 52.391 -19.083 -1.468 1.00 1.00 H new ATOM 0 HE1 MET A 1 48.768 -19.745 -1.222 1.00 1.00 H new ATOM 0 HE2 MET A 1 50.105 -19.035 -2.158 1.00 1.00 H new ATOM 0 HE3 MET A 1 50.204 -20.724 -1.605 1.00 1.00 H new ATOM 17 N ASN A 2 55.108 -19.840 1.498 1.00 1.00 N ATOM 18 CA ASN A 2 55.993 -19.006 2.359 1.00 1.00 C ATOM 19 C ASN A 2 55.943 -17.549 1.890 1.00 1.00 C ATOM 20 O ASN A 2 56.632 -16.696 2.412 1.00 1.00 O ATOM 21 CB ASN A 2 57.431 -19.524 2.265 1.00 1.00 C ATOM 22 CG ASN A 2 58.251 -18.974 3.434 1.00 1.00 C ATOM 23 OD1 ASN A 2 58.590 -19.772 4.410 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 58.586 -17.807 3.460 1.00 1.00 N flip ATOM 0 H ASN A 2 54.385 -20.361 1.995 1.00 1.00 H new ATOM 0 HA ASN A 2 55.651 -19.064 3.392 1.00 1.00 H new ATOM 0 HB2 ASN A 2 57.438 -20.614 2.284 1.00 1.00 H new ATOM 0 HB3 ASN A 2 57.877 -19.219 1.319 1.00 1.00 H new ATOM 0 HD21 ASN A 2 58.321 -17.183 2.698 1.00 1.00 H new ATOM 0 HD22 ASN A 2 59.132 -17.451 4.244 1.00 1.00 H new ATOM 31 N LEU A 3 55.131 -17.258 0.909 1.00 1.00 N ATOM 32 CA LEU A 3 55.037 -15.856 0.408 1.00 1.00 C ATOM 33 C LEU A 3 53.959 -15.109 1.199 1.00 1.00 C ATOM 34 O LEU A 3 52.786 -15.184 0.891 1.00 1.00 O ATOM 35 CB LEU A 3 54.668 -15.873 -1.082 1.00 1.00 C ATOM 36 CG LEU A 3 55.153 -14.585 -1.749 1.00 1.00 C ATOM 37 CD1 LEU A 3 54.642 -13.377 -0.960 1.00 1.00 C ATOM 38 CD2 LEU A 3 56.683 -14.568 -1.770 1.00 1.00 C ATOM 0 H LEU A 3 54.529 -17.930 0.433 1.00 1.00 H new ATOM 0 HA LEU A 3 55.995 -15.352 0.537 1.00 1.00 H new ATOM 0 HB2 LEU A 3 55.119 -16.738 -1.568 1.00 1.00 H new ATOM 0 HB3 LEU A 3 53.588 -15.970 -1.198 1.00 1.00 H new ATOM 0 HG LEU A 3 54.773 -14.539 -2.770 1.00 1.00 H new ATOM 0 HD11 LEU A 3 54.988 -12.459 -1.435 1.00 1.00 H new ATOM 0 HD12 LEU A 3 53.552 -13.388 -0.943 1.00 1.00 H new ATOM 0 HD13 LEU A 3 55.022 -13.422 0.061 1.00 1.00 H new ATOM 0 HD21 LEU A 3 57.030 -13.651 -2.245 1.00 1.00 H new ATOM 0 HD22 LEU A 3 57.061 -14.613 -0.749 1.00 1.00 H new ATOM 0 HD23 LEU A 3 57.049 -15.428 -2.331 1.00 1.00 H new ATOM 50 N GLU A 4 54.348 -14.387 2.214 1.00 1.00 N ATOM 51 CA GLU A 4 53.346 -13.635 3.021 1.00 1.00 C ATOM 52 C GLU A 4 53.044 -12.298 2.334 1.00 1.00 C ATOM 53 O GLU A 4 53.883 -11.744 1.652 1.00 1.00 O ATOM 54 CB GLU A 4 53.914 -13.376 4.420 1.00 1.00 C ATOM 55 CG GLU A 4 53.786 -14.644 5.266 1.00 1.00 C ATOM 56 CD GLU A 4 54.352 -14.385 6.664 1.00 1.00 C ATOM 57 OE1 GLU A 4 54.074 -13.329 7.207 1.00 1.00 O ATOM 58 OE2 GLU A 4 55.052 -15.248 7.167 1.00 1.00 O ATOM 0 H GLU A 4 55.316 -14.285 2.519 1.00 1.00 H new ATOM 0 HA GLU A 4 52.428 -14.217 3.104 1.00 1.00 H new ATOM 0 HB2 GLU A 4 54.960 -13.077 4.350 1.00 1.00 H new ATOM 0 HB3 GLU A 4 53.379 -12.554 4.895 1.00 1.00 H new ATOM 0 HG2 GLU A 4 52.740 -14.943 5.335 1.00 1.00 H new ATOM 0 HG3 GLU A 4 54.322 -15.466 4.792 1.00 1.00 H new ATOM 65 N PRO A 5 51.854 -11.783 2.513 1.00 1.00 N ATOM 66 CA PRO A 5 51.439 -10.486 1.898 1.00 1.00 C ATOM 67 C PRO A 5 52.217 -9.298 2.479 1.00 1.00 C ATOM 68 O PRO A 5 52.821 -9.398 3.529 1.00 1.00 O ATOM 69 CB PRO A 5 49.947 -10.374 2.239 1.00 1.00 C ATOM 70 CG PRO A 5 49.743 -11.255 3.427 1.00 1.00 C ATOM 71 CD PRO A 5 50.778 -12.377 3.321 1.00 1.00 C ATOM 0 HA PRO A 5 51.637 -10.464 0.826 1.00 1.00 H new ATOM 0 HB2 PRO A 5 49.672 -9.343 2.463 1.00 1.00 H new ATOM 0 HB3 PRO A 5 49.328 -10.695 1.401 1.00 1.00 H new ATOM 0 HG2 PRO A 5 49.873 -10.694 4.352 1.00 1.00 H new ATOM 0 HG3 PRO A 5 48.731 -11.661 3.440 1.00 1.00 H new ATOM 0 HD2 PRO A 5 51.138 -12.684 4.303 1.00 1.00 H new ATOM 0 HD3 PRO A 5 50.361 -13.263 2.843 1.00 1.00 H new ATOM 79 N PRO A 6 52.197 -8.182 1.799 1.00 1.00 N ATOM 80 CA PRO A 6 52.909 -6.949 2.252 1.00 1.00 C ATOM 81 C PRO A 6 52.276 -6.354 3.514 1.00 1.00 C ATOM 82 O PRO A 6 51.170 -6.697 3.885 1.00 1.00 O ATOM 83 CB PRO A 6 52.768 -5.985 1.067 1.00 1.00 C ATOM 84 CG PRO A 6 51.570 -6.458 0.313 1.00 1.00 C ATOM 85 CD PRO A 6 51.491 -7.970 0.526 1.00 1.00 C ATOM 0 HA PRO A 6 53.946 -7.151 2.518 1.00 1.00 H new ATOM 0 HB2 PRO A 6 52.637 -4.958 1.409 1.00 1.00 H new ATOM 0 HB3 PRO A 6 53.659 -6.001 0.439 1.00 1.00 H new ATOM 0 HG2 PRO A 6 50.666 -5.968 0.674 1.00 1.00 H new ATOM 0 HG3 PRO A 6 51.660 -6.220 -0.747 1.00 1.00 H new ATOM 0 HD2 PRO A 6 50.458 -8.313 0.580 1.00 1.00 H new ATOM 0 HD3 PRO A 6 51.966 -8.514 -0.290 1.00 1.00 H new ATOM 93 N LYS A 7 52.967 -5.468 4.179 1.00 1.00 N ATOM 94 CA LYS A 7 52.399 -4.861 5.416 1.00 1.00 C ATOM 95 C LYS A 7 53.117 -3.544 5.722 1.00 1.00 C ATOM 96 O LYS A 7 53.981 -3.108 4.987 1.00 1.00 O ATOM 97 CB LYS A 7 52.580 -5.830 6.590 1.00 1.00 C ATOM 98 CG LYS A 7 53.893 -6.597 6.423 1.00 1.00 C ATOM 99 CD LYS A 7 55.053 -5.605 6.308 1.00 1.00 C ATOM 100 CE LYS A 7 56.376 -6.336 6.548 1.00 1.00 C ATOM 101 NZ LYS A 7 57.511 -5.414 6.262 1.00 1.00 N ATOM 0 H LYS A 7 53.897 -5.139 3.920 1.00 1.00 H new ATOM 0 HA LYS A 7 51.337 -4.665 5.267 1.00 1.00 H new ATOM 0 HB2 LYS A 7 52.585 -5.280 7.531 1.00 1.00 H new ATOM 0 HB3 LYS A 7 51.743 -6.527 6.632 1.00 1.00 H new ATOM 0 HG2 LYS A 7 54.050 -7.260 7.274 1.00 1.00 H new ATOM 0 HG3 LYS A 7 53.849 -7.226 5.534 1.00 1.00 H new ATOM 0 HD2 LYS A 7 55.054 -5.144 5.320 1.00 1.00 H new ATOM 0 HD3 LYS A 7 54.932 -4.802 7.035 1.00 1.00 H new ATOM 0 HE2 LYS A 7 56.429 -6.686 7.579 1.00 1.00 H new ATOM 0 HE3 LYS A 7 56.439 -7.217 5.909 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 58.411 -5.910 6.425 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 57.463 -5.101 5.271 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 57.453 -4.587 6.890 1.00 1.00 H new ATOM 115 N ALA A 8 52.765 -2.909 6.807 1.00 1.00 N ATOM 116 CA ALA A 8 53.423 -1.623 7.171 1.00 1.00 C ATOM 117 C ALA A 8 53.239 -1.373 8.669 1.00 1.00 C ATOM 118 O ALA A 8 52.675 -0.379 9.080 1.00 1.00 O ATOM 119 CB ALA A 8 52.785 -0.479 6.380 1.00 1.00 C ATOM 0 H ALA A 8 52.048 -3.227 7.459 1.00 1.00 H new ATOM 0 HA ALA A 8 54.486 -1.675 6.934 1.00 1.00 H new ATOM 0 HB1 ALA A 8 53.267 0.461 6.647 1.00 1.00 H new ATOM 0 HB2 ALA A 8 52.910 -0.661 5.313 1.00 1.00 H new ATOM 0 HB3 ALA A 8 51.722 -0.422 6.616 1.00 1.00 H new ATOM 125 N GLU A 9 53.708 -2.274 9.489 1.00 1.00 N ATOM 126 CA GLU A 9 53.558 -2.098 10.961 1.00 1.00 C ATOM 127 C GLU A 9 54.132 -0.743 11.382 1.00 1.00 C ATOM 128 O GLU A 9 53.646 -0.113 12.301 1.00 1.00 O ATOM 129 CB GLU A 9 54.311 -3.216 11.685 1.00 1.00 C ATOM 130 CG GLU A 9 55.807 -3.104 11.383 1.00 1.00 C ATOM 131 CD GLU A 9 56.523 -4.364 11.871 1.00 1.00 C ATOM 132 OE1 GLU A 9 56.369 -5.393 11.235 1.00 1.00 O ATOM 133 OE2 GLU A 9 57.213 -4.279 12.874 1.00 1.00 O ATOM 0 H GLU A 9 54.190 -3.126 9.202 1.00 1.00 H new ATOM 0 HA GLU A 9 52.501 -2.138 11.223 1.00 1.00 H new ATOM 0 HB2 GLU A 9 54.140 -3.147 12.759 1.00 1.00 H new ATOM 0 HB3 GLU A 9 53.936 -4.188 11.364 1.00 1.00 H new ATOM 0 HG2 GLU A 9 55.964 -2.976 10.312 1.00 1.00 H new ATOM 0 HG3 GLU A 9 56.223 -2.224 11.874 1.00 1.00 H new ATOM 140 N CYS A 10 55.164 -0.291 10.723 1.00 1.00 N ATOM 141 CA CYS A 10 55.766 1.021 11.096 1.00 1.00 C ATOM 142 C CYS A 10 55.008 2.152 10.394 1.00 1.00 C ATOM 143 O CYS A 10 54.156 2.792 10.977 1.00 1.00 O ATOM 144 CB CYS A 10 57.241 1.042 10.678 1.00 1.00 C ATOM 145 SG CYS A 10 58.170 2.117 11.800 1.00 1.00 S ATOM 0 H CYS A 10 55.615 -0.772 9.945 1.00 1.00 H new ATOM 0 HA CYS A 10 55.696 1.162 12.175 1.00 1.00 H new ATOM 0 HB2 CYS A 10 57.651 0.032 10.701 1.00 1.00 H new ATOM 0 HB3 CYS A 10 57.335 1.400 9.653 1.00 1.00 H new ATOM 150 N ARG A 11 55.306 2.405 9.147 1.00 1.00 N ATOM 151 CA ARG A 11 54.600 3.497 8.414 1.00 1.00 C ATOM 152 C ARG A 11 55.071 3.516 6.957 1.00 1.00 C ATOM 153 O ARG A 11 56.201 3.184 6.657 1.00 1.00 O ATOM 154 CB ARG A 11 54.924 4.844 9.071 1.00 1.00 C ATOM 155 CG ARG A 11 54.244 5.972 8.293 1.00 1.00 C ATOM 156 CD ARG A 11 52.733 5.736 8.266 1.00 1.00 C ATOM 157 NE ARG A 11 52.295 5.173 9.574 1.00 1.00 N ATOM 158 CZ ARG A 11 51.103 4.655 9.696 1.00 1.00 C ATOM 159 NH1 ARG A 11 50.295 4.631 8.672 1.00 1.00 N ATOM 160 NH2 ARG A 11 50.720 4.162 10.841 1.00 1.00 N ATOM 0 H ARG A 11 56.008 1.902 8.604 1.00 1.00 H new ATOM 0 HA ARG A 11 53.524 3.324 8.449 1.00 1.00 H new ATOM 0 HB2 ARG A 11 54.583 4.846 10.106 1.00 1.00 H new ATOM 0 HB3 ARG A 11 56.003 5.001 9.090 1.00 1.00 H new ATOM 0 HG2 ARG A 11 54.464 6.933 8.758 1.00 1.00 H new ATOM 0 HG3 ARG A 11 54.634 6.013 7.276 1.00 1.00 H new ATOM 0 HD2 ARG A 11 52.211 6.672 8.068 1.00 1.00 H new ATOM 0 HD3 ARG A 11 52.476 5.051 7.458 1.00 1.00 H new ATOM 0 HE ARG A 11 52.927 5.192 10.375 1.00 1.00 H new ATOM 0 HH11 ARG A 11 50.595 5.017 7.777 1.00 1.00 H new ATOM 0 HH12 ARG A 11 49.364 4.226 8.767 1.00 1.00 H new ATOM 0 HH21 ARG A 11 51.352 4.181 11.641 1.00 1.00 H new ATOM 0 HH22 ARG A 11 49.789 3.757 10.936 1.00 1.00 H new ATOM 174 N SER A 12 54.217 3.905 6.050 1.00 1.00 N ATOM 175 CA SER A 12 54.622 3.948 4.617 1.00 1.00 C ATOM 176 C SER A 12 55.853 4.845 4.466 1.00 1.00 C ATOM 177 O SER A 12 56.977 4.387 4.523 1.00 1.00 O ATOM 178 CB SER A 12 53.474 4.512 3.780 1.00 1.00 C ATOM 179 OG SER A 12 53.965 4.882 2.499 1.00 1.00 O ATOM 0 H SER A 12 53.257 4.195 6.239 1.00 1.00 H new ATOM 0 HA SER A 12 54.860 2.941 4.274 1.00 1.00 H new ATOM 0 HB2 SER A 12 52.683 3.769 3.678 1.00 1.00 H new ATOM 0 HB3 SER A 12 53.036 5.377 4.278 1.00 1.00 H new ATOM 0 HG SER A 12 53.231 5.243 1.959 1.00 1.00 H new ATOM 185 N ALA A 13 55.651 6.121 4.277 1.00 1.00 N ATOM 186 CA ALA A 13 56.812 7.044 4.127 1.00 1.00 C ATOM 187 C ALA A 13 57.437 7.299 5.500 1.00 1.00 C ATOM 188 O ALA A 13 57.038 6.719 6.491 1.00 1.00 O ATOM 189 CB ALA A 13 56.336 8.369 3.528 1.00 1.00 C ATOM 0 H ALA A 13 54.734 6.563 4.220 1.00 1.00 H new ATOM 0 HA ALA A 13 57.554 6.594 3.467 1.00 1.00 H new ATOM 0 HB1 ALA A 13 57.185 9.044 3.418 1.00 1.00 H new ATOM 0 HB2 ALA A 13 55.888 8.187 2.551 1.00 1.00 H new ATOM 0 HB3 ALA A 13 55.595 8.821 4.188 1.00 1.00 H new ATOM 195 N THR A 14 58.413 8.162 5.571 1.00 1.00 N ATOM 196 CA THR A 14 59.058 8.448 6.884 1.00 1.00 C ATOM 197 C THR A 14 59.887 9.730 6.781 1.00 1.00 C ATOM 198 O THR A 14 61.097 9.692 6.678 1.00 1.00 O ATOM 199 CB THR A 14 59.969 7.281 7.269 1.00 1.00 C ATOM 200 OG1 THR A 14 59.290 6.056 7.035 1.00 1.00 O ATOM 201 CG2 THR A 14 60.340 7.387 8.749 1.00 1.00 C ATOM 0 H THR A 14 58.791 8.681 4.778 1.00 1.00 H new ATOM 0 HA THR A 14 58.288 8.576 7.645 1.00 1.00 H new ATOM 0 HB THR A 14 60.877 7.314 6.667 1.00 1.00 H new ATOM 0 HG1 THR A 14 58.339 6.164 7.246 1.00 1.00 H new ATOM 0 HG21 THR A 14 60.989 6.555 9.022 1.00 1.00 H new ATOM 0 HG22 THR A 14 60.861 8.327 8.927 1.00 1.00 H new ATOM 0 HG23 THR A 14 59.434 7.354 9.354 1.00 1.00 H new ATOM 209 N ARG A 15 59.246 10.866 6.813 1.00 1.00 N ATOM 210 CA ARG A 15 59.998 12.150 6.722 1.00 1.00 C ATOM 211 C ARG A 15 60.993 12.080 5.561 1.00 1.00 C ATOM 212 O ARG A 15 60.621 11.862 4.424 1.00 1.00 O ATOM 213 CB ARG A 15 60.754 12.389 8.030 1.00 1.00 C ATOM 214 CG ARG A 15 59.797 12.221 9.211 1.00 1.00 C ATOM 215 CD ARG A 15 60.564 12.409 10.522 1.00 1.00 C ATOM 216 NE ARG A 15 60.798 13.862 10.755 1.00 1.00 N ATOM 217 CZ ARG A 15 61.678 14.247 11.638 1.00 1.00 C ATOM 218 NH1 ARG A 15 62.353 13.360 12.317 1.00 1.00 N ATOM 219 NH2 ARG A 15 61.884 15.520 11.843 1.00 1.00 N ATOM 0 H ARG A 15 58.234 10.961 6.898 1.00 1.00 H new ATOM 0 HA ARG A 15 59.300 12.969 6.550 1.00 1.00 H new ATOM 0 HB2 ARG A 15 61.583 11.686 8.117 1.00 1.00 H new ATOM 0 HB3 ARG A 15 61.184 13.391 8.036 1.00 1.00 H new ATOM 0 HG2 ARG A 15 58.988 12.948 9.143 1.00 1.00 H new ATOM 0 HG3 ARG A 15 59.339 11.232 9.184 1.00 1.00 H new ATOM 0 HD2 ARG A 15 59.999 11.983 11.351 1.00 1.00 H new ATOM 0 HD3 ARG A 15 61.515 11.879 10.479 1.00 1.00 H new ATOM 0 HE ARG A 15 60.270 14.555 10.224 1.00 1.00 H new ATOM 0 HH11 ARG A 15 62.193 12.365 12.157 1.00 1.00 H new ATOM 0 HH12 ARG A 15 63.041 13.661 13.007 1.00 1.00 H new ATOM 0 HH21 ARG A 15 61.357 16.214 11.313 1.00 1.00 H new ATOM 0 HH22 ARG A 15 62.572 15.821 12.533 1.00 1.00 H new ATOM 233 N VAL A 16 62.257 12.263 5.836 1.00 1.00 N ATOM 234 CA VAL A 16 63.273 12.208 4.746 1.00 1.00 C ATOM 235 C VAL A 16 64.618 11.756 5.321 1.00 1.00 C ATOM 236 O VAL A 16 65.321 10.962 4.727 1.00 1.00 O ATOM 237 CB VAL A 16 63.424 13.596 4.120 1.00 1.00 C ATOM 238 CG1 VAL A 16 64.018 14.559 5.149 1.00 1.00 C ATOM 239 CG2 VAL A 16 64.355 13.509 2.908 1.00 1.00 C ATOM 0 H VAL A 16 62.629 12.448 6.767 1.00 1.00 H new ATOM 0 HA VAL A 16 62.950 11.499 3.984 1.00 1.00 H new ATOM 0 HB VAL A 16 62.446 13.960 3.804 1.00 1.00 H new ATOM 0 HG11 VAL A 16 64.125 15.548 4.703 1.00 1.00 H new ATOM 0 HG12 VAL A 16 63.357 14.621 6.013 1.00 1.00 H new ATOM 0 HG13 VAL A 16 64.996 14.196 5.465 1.00 1.00 H new ATOM 0 HG21 VAL A 16 64.464 14.497 2.461 1.00 1.00 H new ATOM 0 HG22 VAL A 16 65.332 13.145 3.225 1.00 1.00 H new ATOM 0 HG23 VAL A 16 63.933 12.823 2.174 1.00 1.00 H new ATOM 249 N MET A 17 64.983 12.255 6.472 1.00 1.00 N ATOM 250 CA MET A 17 66.284 11.853 7.085 1.00 1.00 C ATOM 251 C MET A 17 66.122 11.748 8.603 1.00 1.00 C ATOM 252 O MET A 17 65.791 10.704 9.129 1.00 1.00 O ATOM 253 CB MET A 17 67.350 12.904 6.755 1.00 1.00 C ATOM 254 CG MET A 17 67.881 12.666 5.340 1.00 1.00 C ATOM 255 SD MET A 17 68.894 11.166 5.321 1.00 1.00 S ATOM 256 CE MET A 17 69.294 11.185 3.556 1.00 1.00 C ATOM 0 H MET A 17 64.437 12.924 7.015 1.00 1.00 H new ATOM 0 HA MET A 17 66.591 10.886 6.686 1.00 1.00 H new ATOM 0 HB2 MET A 17 66.925 13.905 6.832 1.00 1.00 H new ATOM 0 HB3 MET A 17 68.166 12.848 7.475 1.00 1.00 H new ATOM 0 HG2 MET A 17 67.051 12.566 4.640 1.00 1.00 H new ATOM 0 HG3 MET A 17 68.472 13.521 5.013 1.00 1.00 H new ATOM 0 HE1 MET A 17 69.537 10.175 3.227 1.00 1.00 H new ATOM 0 HE2 MET A 17 68.437 11.554 2.993 1.00 1.00 H new ATOM 0 HE3 MET A 17 70.149 11.838 3.384 1.00 1.00 H new ATOM 266 N GLY A 18 66.354 12.819 9.313 1.00 1.00 N ATOM 267 CA GLY A 18 66.214 12.773 10.796 1.00 1.00 C ATOM 268 C GLY A 18 66.769 14.061 11.405 1.00 1.00 C ATOM 269 O GLY A 18 67.700 14.651 10.893 1.00 1.00 O ATOM 0 HA2 GLY A 18 65.166 12.653 11.069 1.00 1.00 H new ATOM 0 HA3 GLY A 18 66.748 11.911 11.195 1.00 1.00 H new ATOM 273 N GLY A 19 66.204 14.503 12.496 1.00 1.00 N ATOM 274 CA GLY A 19 66.695 15.755 13.141 1.00 1.00 C ATOM 275 C GLY A 19 67.742 15.413 14.205 1.00 1.00 C ATOM 276 O GLY A 19 68.847 15.917 14.181 1.00 1.00 O ATOM 0 H GLY A 19 65.422 14.050 12.969 1.00 1.00 H new ATOM 0 HA2 GLY A 19 67.128 16.416 12.390 1.00 1.00 H new ATOM 0 HA3 GLY A 19 65.862 16.292 13.596 1.00 1.00 H new ATOM 280 N PRO A 20 67.391 14.565 15.135 1.00 1.00 N ATOM 281 CA PRO A 20 68.308 14.148 16.237 1.00 1.00 C ATOM 282 C PRO A 20 69.692 13.733 15.726 1.00 1.00 C ATOM 283 O PRO A 20 70.697 13.989 16.359 1.00 1.00 O ATOM 284 CB PRO A 20 67.588 12.956 16.876 1.00 1.00 C ATOM 285 CG PRO A 20 66.141 13.173 16.581 1.00 1.00 C ATOM 286 CD PRO A 20 66.077 13.910 15.242 1.00 1.00 C ATOM 0 HA PRO A 20 68.500 14.965 16.932 1.00 1.00 H new ATOM 0 HB2 PRO A 20 67.939 12.013 16.457 1.00 1.00 H new ATOM 0 HB3 PRO A 20 67.770 12.915 17.950 1.00 1.00 H new ATOM 0 HG2 PRO A 20 65.609 12.223 16.527 1.00 1.00 H new ATOM 0 HG3 PRO A 20 65.668 13.759 17.369 1.00 1.00 H new ATOM 0 HD2 PRO A 20 65.905 13.221 14.415 1.00 1.00 H new ATOM 0 HD3 PRO A 20 65.265 14.637 15.225 1.00 1.00 H new ATOM 294 N CYS A 21 69.754 13.093 14.588 1.00 1.00 N ATOM 295 CA CYS A 21 71.073 12.662 14.041 1.00 1.00 C ATOM 296 C CYS A 21 71.120 12.941 12.538 1.00 1.00 C ATOM 297 O CYS A 21 70.157 12.731 11.827 1.00 1.00 O ATOM 298 CB CYS A 21 71.266 11.164 14.291 1.00 1.00 C ATOM 299 SG CYS A 21 70.253 10.221 13.125 1.00 1.00 S ATOM 0 H CYS A 21 68.947 12.850 14.014 1.00 1.00 H new ATOM 0 HA CYS A 21 71.869 13.217 14.537 1.00 1.00 H new ATOM 0 HB2 CYS A 21 72.316 10.898 14.174 1.00 1.00 H new ATOM 0 HB3 CYS A 21 70.986 10.916 15.315 1.00 1.00 H new ATOM 304 N THR A 22 72.235 13.413 12.050 1.00 1.00 N ATOM 305 CA THR A 22 72.353 13.708 10.593 1.00 1.00 C ATOM 306 C THR A 22 73.766 13.351 10.114 1.00 1.00 C ATOM 307 O THR A 22 74.689 14.125 10.272 1.00 1.00 O ATOM 308 CB THR A 22 72.104 15.201 10.361 1.00 1.00 C ATOM 309 OG1 THR A 22 73.245 15.939 10.775 1.00 1.00 O ATOM 310 CG2 THR A 22 70.884 15.648 11.167 1.00 1.00 C ATOM 0 H THR A 22 73.072 13.608 12.599 1.00 1.00 H new ATOM 0 HA THR A 22 71.620 13.121 10.039 1.00 1.00 H new ATOM 0 HB THR A 22 71.921 15.379 9.301 1.00 1.00 H new ATOM 0 HG1 THR A 22 74.022 15.667 10.243 1.00 1.00 H new ATOM 0 HG21 THR A 22 70.708 16.711 11.001 1.00 1.00 H new ATOM 0 HG22 THR A 22 70.009 15.081 10.848 1.00 1.00 H new ATOM 0 HG23 THR A 22 71.064 15.471 12.227 1.00 1.00 H new ATOM 318 N PRO A 23 73.939 12.189 9.534 1.00 1.00 N ATOM 319 CA PRO A 23 75.268 11.736 9.027 1.00 1.00 C ATOM 320 C PRO A 23 75.941 12.788 8.139 1.00 1.00 C ATOM 321 O PRO A 23 75.512 13.923 8.071 1.00 1.00 O ATOM 322 CB PRO A 23 74.942 10.476 8.219 1.00 1.00 C ATOM 323 CG PRO A 23 73.668 9.960 8.800 1.00 1.00 C ATOM 324 CD PRO A 23 72.892 11.180 9.302 1.00 1.00 C ATOM 0 HA PRO A 23 75.972 11.558 9.840 1.00 1.00 H new ATOM 0 HB2 PRO A 23 74.828 10.706 7.160 1.00 1.00 H new ATOM 0 HB3 PRO A 23 75.740 9.738 8.301 1.00 1.00 H new ATOM 0 HG2 PRO A 23 73.093 9.416 8.051 1.00 1.00 H new ATOM 0 HG3 PRO A 23 73.867 9.265 9.616 1.00 1.00 H new ATOM 0 HD2 PRO A 23 72.163 11.521 8.567 1.00 1.00 H new ATOM 0 HD3 PRO A 23 72.342 10.956 10.216 1.00 1.00 H new ATOM 332 N ARG A 24 76.993 12.416 7.458 1.00 1.00 N ATOM 333 CA ARG A 24 77.701 13.387 6.572 1.00 1.00 C ATOM 334 C ARG A 24 77.377 13.071 5.110 1.00 1.00 C ATOM 335 O ARG A 24 77.644 11.989 4.625 1.00 1.00 O ATOM 336 CB ARG A 24 79.212 13.276 6.797 1.00 1.00 C ATOM 337 CG ARG A 24 79.505 13.209 8.297 1.00 1.00 C ATOM 338 CD ARG A 24 79.481 11.750 8.757 1.00 1.00 C ATOM 339 NE ARG A 24 80.877 11.239 8.861 1.00 1.00 N ATOM 340 CZ ARG A 24 81.576 11.466 9.940 1.00 1.00 C ATOM 341 NH1 ARG A 24 81.053 12.140 10.927 1.00 1.00 N ATOM 342 NH2 ARG A 24 82.799 11.018 10.031 1.00 1.00 N ATOM 0 H ARG A 24 77.394 11.478 7.477 1.00 1.00 H new ATOM 0 HA ARG A 24 77.373 14.400 6.806 1.00 1.00 H new ATOM 0 HB2 ARG A 24 79.599 12.386 6.301 1.00 1.00 H new ATOM 0 HB3 ARG A 24 79.719 14.134 6.355 1.00 1.00 H new ATOM 0 HG2 ARG A 24 80.478 13.652 8.508 1.00 1.00 H new ATOM 0 HG3 ARG A 24 78.765 13.788 8.849 1.00 1.00 H new ATOM 0 HD2 ARG A 24 78.980 11.670 9.722 1.00 1.00 H new ATOM 0 HD3 ARG A 24 78.912 11.144 8.051 1.00 1.00 H new ATOM 0 HE ARG A 24 81.286 10.712 8.089 1.00 1.00 H new ATOM 0 HH11 ARG A 24 80.098 12.490 10.856 1.00 1.00 H new ATOM 0 HH12 ARG A 24 81.600 12.317 11.770 1.00 1.00 H new ATOM 0 HH21 ARG A 24 83.208 10.491 9.259 1.00 1.00 H new ATOM 0 HH22 ARG A 24 83.346 11.195 10.874 1.00 1.00 H new ATOM 356 N LYS A 25 76.799 14.006 4.405 1.00 1.00 N ATOM 357 CA LYS A 25 76.454 13.762 2.975 1.00 1.00 C ATOM 358 C LYS A 25 76.629 15.056 2.178 1.00 1.00 C ATOM 359 O LYS A 25 77.284 15.083 1.155 1.00 1.00 O ATOM 360 CB LYS A 25 74.999 13.291 2.876 1.00 1.00 C ATOM 361 CG LYS A 25 74.081 14.315 3.546 1.00 1.00 C ATOM 362 CD LYS A 25 72.757 13.647 3.921 1.00 1.00 C ATOM 363 CE LYS A 25 71.897 14.628 4.719 1.00 1.00 C ATOM 364 NZ LYS A 25 72.470 14.794 6.085 1.00 1.00 N ATOM 0 H LYS A 25 76.550 14.930 4.759 1.00 1.00 H new ATOM 0 HA LYS A 25 77.113 12.995 2.567 1.00 1.00 H new ATOM 0 HB2 LYS A 25 74.718 13.165 1.831 1.00 1.00 H new ATOM 0 HB3 LYS A 25 74.887 12.319 3.356 1.00 1.00 H new ATOM 0 HG2 LYS A 25 74.561 14.721 4.437 1.00 1.00 H new ATOM 0 HG3 LYS A 25 73.900 15.152 2.872 1.00 1.00 H new ATOM 0 HD2 LYS A 25 72.229 13.333 3.021 1.00 1.00 H new ATOM 0 HD3 LYS A 25 72.945 12.749 4.510 1.00 1.00 H new ATOM 0 HE2 LYS A 25 71.858 15.591 4.210 1.00 1.00 H new ATOM 0 HE3 LYS A 25 70.873 14.260 4.785 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 71.750 15.200 6.716 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 72.769 13.868 6.451 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 73.291 15.430 6.042 1.00 1.00 H new ATOM 378 N GLY A 26 76.049 16.131 2.637 1.00 1.00 N ATOM 379 CA GLY A 26 76.185 17.422 1.904 1.00 1.00 C ATOM 380 C GLY A 26 75.748 17.235 0.449 1.00 1.00 C ATOM 381 O GLY A 26 75.167 16.229 0.092 1.00 1.00 O ATOM 0 H GLY A 26 75.487 16.171 3.487 1.00 1.00 H new ATOM 0 HA2 GLY A 26 75.575 18.189 2.382 1.00 1.00 H new ATOM 0 HA3 GLY A 26 77.218 17.767 1.942 1.00 1.00 H new ATOM 385 N PRO A 27 76.027 18.203 -0.382 1.00 1.00 N ATOM 386 CA PRO A 27 75.662 18.158 -1.828 1.00 1.00 C ATOM 387 C PRO A 27 76.076 16.833 -2.491 1.00 1.00 C ATOM 388 O PRO A 27 77.238 16.477 -2.487 1.00 1.00 O ATOM 389 CB PRO A 27 76.446 19.327 -2.434 1.00 1.00 C ATOM 390 CG PRO A 27 76.650 20.287 -1.310 1.00 1.00 C ATOM 391 CD PRO A 27 76.722 19.452 -0.030 1.00 1.00 C ATOM 0 HA PRO A 27 74.585 18.230 -1.978 1.00 1.00 H new ATOM 0 HB2 PRO A 27 77.399 18.992 -2.843 1.00 1.00 H new ATOM 0 HB3 PRO A 27 75.893 19.790 -3.252 1.00 1.00 H new ATOM 0 HG2 PRO A 27 77.567 20.860 -1.451 1.00 1.00 H new ATOM 0 HG3 PRO A 27 75.831 21.004 -1.259 1.00 1.00 H new ATOM 0 HD2 PRO A 27 77.754 19.265 0.267 1.00 1.00 H new ATOM 0 HD3 PRO A 27 76.237 19.958 0.805 1.00 1.00 H new ATOM 399 N PRO A 28 75.142 16.107 -3.059 1.00 1.00 N ATOM 400 CA PRO A 28 75.438 14.808 -3.732 1.00 1.00 C ATOM 401 C PRO A 28 76.686 14.883 -4.619 1.00 1.00 C ATOM 402 O PRO A 28 76.821 15.767 -5.442 1.00 1.00 O ATOM 403 CB PRO A 28 74.190 14.553 -4.579 1.00 1.00 C ATOM 404 CG PRO A 28 73.083 15.243 -3.851 1.00 1.00 C ATOM 405 CD PRO A 28 73.709 16.439 -3.124 1.00 1.00 C ATOM 0 HA PRO A 28 75.649 14.015 -3.014 1.00 1.00 H new ATOM 0 HB2 PRO A 28 74.308 14.951 -5.587 1.00 1.00 H new ATOM 0 HB3 PRO A 28 73.992 13.486 -4.679 1.00 1.00 H new ATOM 0 HG2 PRO A 28 72.311 15.574 -4.546 1.00 1.00 H new ATOM 0 HG3 PRO A 28 72.606 14.566 -3.142 1.00 1.00 H new ATOM 0 HD2 PRO A 28 73.539 17.369 -3.666 1.00 1.00 H new ATOM 0 HD3 PRO A 28 73.284 16.568 -2.129 1.00 1.00 H new ATOM 413 N LYS A 29 77.598 13.962 -4.459 1.00 1.00 N ATOM 414 CA LYS A 29 78.834 13.980 -5.294 1.00 1.00 C ATOM 415 C LYS A 29 79.764 12.848 -4.846 1.00 1.00 C ATOM 416 O LYS A 29 79.953 12.617 -3.669 1.00 1.00 O ATOM 417 CB LYS A 29 79.548 15.333 -5.129 1.00 1.00 C ATOM 418 CG LYS A 29 79.595 16.054 -6.477 1.00 1.00 C ATOM 419 CD LYS A 29 80.106 17.482 -6.276 1.00 1.00 C ATOM 420 CE LYS A 29 80.486 18.085 -7.629 1.00 1.00 C ATOM 421 NZ LYS A 29 79.485 17.675 -8.654 1.00 1.00 N ATOM 0 H LYS A 29 77.541 13.198 -3.786 1.00 1.00 H new ATOM 0 HA LYS A 29 78.569 13.840 -6.342 1.00 1.00 H new ATOM 0 HB2 LYS A 29 79.024 15.945 -4.395 1.00 1.00 H new ATOM 0 HB3 LYS A 29 80.559 15.179 -4.752 1.00 1.00 H new ATOM 0 HG2 LYS A 29 80.247 15.517 -7.166 1.00 1.00 H new ATOM 0 HG3 LYS A 29 78.602 16.072 -6.926 1.00 1.00 H new ATOM 0 HD2 LYS A 29 79.338 18.090 -5.798 1.00 1.00 H new ATOM 0 HD3 LYS A 29 80.970 17.480 -5.612 1.00 1.00 H new ATOM 0 HE2 LYS A 29 80.524 19.172 -7.557 1.00 1.00 H new ATOM 0 HE3 LYS A 29 81.481 17.750 -7.922 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 79.542 18.316 -9.471 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 79.683 16.702 -8.963 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 78.530 17.720 -8.244 1.00 1.00 H new ATOM 435 N CYS A 30 80.350 12.142 -5.777 1.00 1.00 N ATOM 436 CA CYS A 30 81.268 11.031 -5.401 1.00 1.00 C ATOM 437 C CYS A 30 82.685 11.582 -5.216 1.00 1.00 C ATOM 438 O CYS A 30 83.497 11.554 -6.120 1.00 1.00 O ATOM 439 CB CYS A 30 81.269 9.971 -6.508 1.00 1.00 C ATOM 440 SG CYS A 30 79.658 9.961 -7.333 1.00 1.00 S ATOM 0 H CYS A 30 80.232 12.288 -6.780 1.00 1.00 H new ATOM 0 HA CYS A 30 80.930 10.579 -4.469 1.00 1.00 H new ATOM 0 HB2 CYS A 30 82.058 10.184 -7.229 1.00 1.00 H new ATOM 0 HB3 CYS A 30 81.480 8.988 -6.086 1.00 1.00 H new ATOM 445 N LYS A 31 82.991 12.083 -4.051 1.00 1.00 N ATOM 446 CA LYS A 31 84.348 12.631 -3.810 1.00 1.00 C ATOM 447 C LYS A 31 84.488 12.986 -2.328 1.00 1.00 C ATOM 448 O LYS A 31 85.573 13.199 -1.825 1.00 1.00 O ATOM 449 CB LYS A 31 84.553 13.885 -4.668 1.00 1.00 C ATOM 450 CG LYS A 31 85.889 14.539 -4.311 1.00 1.00 C ATOM 451 CD LYS A 31 87.007 13.498 -4.394 1.00 1.00 C ATOM 452 CE LYS A 31 88.363 14.191 -4.257 1.00 1.00 C ATOM 453 NZ LYS A 31 89.452 13.182 -4.383 1.00 1.00 N ATOM 0 H LYS A 31 82.355 12.135 -3.255 1.00 1.00 H new ATOM 0 HA LYS A 31 85.100 11.889 -4.079 1.00 1.00 H new ATOM 0 HB2 LYS A 31 84.537 13.621 -5.725 1.00 1.00 H new ATOM 0 HB3 LYS A 31 83.737 14.588 -4.503 1.00 1.00 H new ATOM 0 HG2 LYS A 31 86.095 15.364 -4.992 1.00 1.00 H new ATOM 0 HG3 LYS A 31 85.843 14.959 -3.306 1.00 1.00 H new ATOM 0 HD2 LYS A 31 86.885 12.755 -3.606 1.00 1.00 H new ATOM 0 HD3 LYS A 31 86.953 12.966 -5.344 1.00 1.00 H new ATOM 0 HE2 LYS A 31 88.471 14.956 -5.025 1.00 1.00 H new ATOM 0 HE3 LYS A 31 88.430 14.695 -3.293 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 90.375 13.658 -4.324 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 89.371 12.486 -3.614 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 89.371 12.697 -5.299 1.00 1.00 H new ATOM 467 N GLN A 32 83.394 13.047 -1.623 1.00 1.00 N ATOM 468 CA GLN A 32 83.459 13.384 -0.174 1.00 1.00 C ATOM 469 C GLN A 32 84.444 12.445 0.522 1.00 1.00 C ATOM 470 O GLN A 32 85.643 12.632 0.465 1.00 1.00 O ATOM 471 CB GLN A 32 82.072 13.222 0.451 1.00 1.00 C ATOM 472 CG GLN A 32 81.170 14.373 -0.001 1.00 1.00 C ATOM 473 CD GLN A 32 81.618 15.669 0.678 1.00 1.00 C ATOM 474 OE1 GLN A 32 81.975 16.623 0.016 1.00 1.00 O ATOM 475 NE2 GLN A 32 81.613 15.744 1.981 1.00 1.00 N ATOM 0 H GLN A 32 82.457 12.878 -1.988 1.00 1.00 H new ATOM 0 HA GLN A 32 83.792 14.415 -0.055 1.00 1.00 H new ATOM 0 HB2 GLN A 32 81.637 12.267 0.155 1.00 1.00 H new ATOM 0 HB3 GLN A 32 82.150 13.213 1.538 1.00 1.00 H new ATOM 0 HG2 GLN A 32 81.217 14.482 -1.084 1.00 1.00 H new ATOM 0 HG3 GLN A 32 80.132 14.157 0.253 1.00 1.00 H new ATOM 0 HE21 GLN A 32 81.313 14.943 2.537 1.00 1.00 H new ATOM 0 HE22 GLN A 32 81.909 16.604 2.443 1.00 1.00 H new ATOM 484 N ARG A 33 83.947 11.437 1.181 1.00 1.00 N ATOM 485 CA ARG A 33 84.852 10.483 1.882 1.00 1.00 C ATOM 486 C ARG A 33 85.354 9.431 0.891 1.00 1.00 C ATOM 487 O ARG A 33 84.626 8.972 0.034 1.00 1.00 O ATOM 488 CB ARG A 33 84.086 9.792 3.014 1.00 1.00 C ATOM 489 CG ARG A 33 83.867 10.779 4.163 1.00 1.00 C ATOM 490 CD ARG A 33 85.071 10.741 5.106 1.00 1.00 C ATOM 491 NE ARG A 33 85.069 11.960 5.962 1.00 1.00 N ATOM 492 CZ ARG A 33 85.454 13.105 5.469 1.00 1.00 C ATOM 493 NH1 ARG A 33 85.840 13.182 4.224 1.00 1.00 N ATOM 494 NH2 ARG A 33 85.452 14.173 6.219 1.00 1.00 N ATOM 0 H ARG A 33 82.951 11.231 1.265 1.00 1.00 H new ATOM 0 HA ARG A 33 85.702 11.027 2.295 1.00 1.00 H new ATOM 0 HB2 ARG A 33 83.127 9.426 2.647 1.00 1.00 H new ATOM 0 HB3 ARG A 33 84.644 8.925 3.368 1.00 1.00 H new ATOM 0 HG2 ARG A 33 83.731 11.787 3.770 1.00 1.00 H new ATOM 0 HG3 ARG A 33 82.958 10.524 4.707 1.00 1.00 H new ATOM 0 HD2 ARG A 33 85.031 9.847 5.728 1.00 1.00 H new ATOM 0 HD3 ARG A 33 85.996 10.689 4.531 1.00 1.00 H new ATOM 0 HE ARG A 33 84.766 11.900 6.934 1.00 1.00 H new ATOM 0 HH11 ARG A 33 85.840 12.347 3.638 1.00 1.00 H new ATOM 0 HH12 ARG A 33 86.141 14.077 3.838 1.00 1.00 H new ATOM 0 HH21 ARG A 33 85.149 14.113 7.191 1.00 1.00 H new ATOM 0 HH22 ARG A 33 85.753 15.068 5.833 1.00 1.00 H new ATOM 508 N GLN A 34 86.596 9.045 1.003 1.00 1.00 N ATOM 509 CA GLN A 34 87.152 8.022 0.071 1.00 1.00 C ATOM 510 C GLN A 34 88.289 7.274 0.770 1.00 1.00 C ATOM 511 O GLN A 34 88.918 7.791 1.672 1.00 1.00 O ATOM 512 CB GLN A 34 87.689 8.713 -1.184 1.00 1.00 C ATOM 513 CG GLN A 34 88.548 9.913 -0.779 1.00 1.00 C ATOM 514 CD GLN A 34 89.377 10.376 -1.979 1.00 1.00 C ATOM 515 OE1 GLN A 34 88.814 11.106 -2.903 1.00 1.00 O flip ATOM 516 NE2 GLN A 34 90.548 10.069 -2.077 1.00 1.00 N flip ATOM 0 H GLN A 34 87.252 9.395 1.702 1.00 1.00 H new ATOM 0 HA GLN A 34 86.369 7.318 -0.213 1.00 1.00 H new ATOM 0 HB2 GLN A 34 88.280 8.012 -1.773 1.00 1.00 H new ATOM 0 HB3 GLN A 34 86.862 9.041 -1.814 1.00 1.00 H new ATOM 0 HG2 GLN A 34 87.913 10.726 -0.427 1.00 1.00 H new ATOM 0 HG3 GLN A 34 89.205 9.641 0.047 1.00 1.00 H new ATOM 0 HE21 GLN A 34 90.988 9.499 -1.355 1.00 1.00 H new ATOM 0 HE22 GLN A 34 91.092 10.382 -2.881 1.00 1.00 H new ATOM 525 N THR A 35 88.559 6.062 0.367 1.00 1.00 N ATOM 526 CA THR A 35 89.656 5.296 1.022 1.00 1.00 C ATOM 527 C THR A 35 90.030 4.080 0.169 1.00 1.00 C ATOM 528 O THR A 35 91.089 4.033 -0.425 1.00 1.00 O ATOM 529 CB THR A 35 89.193 4.825 2.403 1.00 1.00 C ATOM 530 OG1 THR A 35 88.601 5.913 3.098 1.00 1.00 O ATOM 531 CG2 THR A 35 90.393 4.302 3.195 1.00 1.00 C ATOM 0 H THR A 35 88.071 5.572 -0.383 1.00 1.00 H new ATOM 0 HA THR A 35 90.529 5.941 1.126 1.00 1.00 H new ATOM 0 HB THR A 35 88.461 4.025 2.288 1.00 1.00 H new ATOM 0 HG1 THR A 35 89.088 6.738 2.890 1.00 1.00 H new ATOM 0 HG21 THR A 35 90.062 3.967 4.178 1.00 1.00 H new ATOM 0 HG22 THR A 35 90.846 3.467 2.660 1.00 1.00 H new ATOM 0 HG23 THR A 35 91.127 5.099 3.312 1.00 1.00 H new ATOM 539 N ARG A 36 89.179 3.091 0.112 1.00 1.00 N ATOM 540 CA ARG A 36 89.506 1.880 -0.696 1.00 1.00 C ATOM 541 C ARG A 36 88.371 0.858 -0.572 1.00 1.00 C ATOM 542 O ARG A 36 88.137 0.310 0.487 1.00 1.00 O ATOM 543 CB ARG A 36 90.817 1.278 -0.166 1.00 1.00 C ATOM 544 CG ARG A 36 90.830 -0.231 -0.416 1.00 1.00 C ATOM 545 CD ARG A 36 92.262 -0.757 -0.295 1.00 1.00 C ATOM 546 NE ARG A 36 92.240 -2.128 0.288 1.00 1.00 N ATOM 547 CZ ARG A 36 91.715 -3.115 -0.386 1.00 1.00 C ATOM 548 NH1 ARG A 36 91.210 -2.901 -1.570 1.00 1.00 N ATOM 549 NH2 ARG A 36 91.696 -4.316 0.125 1.00 1.00 N ATOM 0 H ARG A 36 88.277 3.068 0.587 1.00 1.00 H new ATOM 0 HA ARG A 36 89.622 2.148 -1.746 1.00 1.00 H new ATOM 0 HB2 ARG A 36 91.669 1.745 -0.660 1.00 1.00 H new ATOM 0 HB3 ARG A 36 90.916 1.480 0.900 1.00 1.00 H new ATOM 0 HG2 ARG A 36 90.184 -0.735 0.303 1.00 1.00 H new ATOM 0 HG3 ARG A 36 90.434 -0.449 -1.408 1.00 1.00 H new ATOM 0 HD2 ARG A 36 92.738 -0.775 -1.275 1.00 1.00 H new ATOM 0 HD3 ARG A 36 92.853 -0.092 0.335 1.00 1.00 H new ATOM 0 HE ARG A 36 92.635 -2.295 1.213 1.00 1.00 H new ATOM 0 HH11 ARG A 36 91.225 -1.962 -1.969 1.00 1.00 H new ATOM 0 HH12 ARG A 36 90.800 -3.672 -2.097 1.00 1.00 H new ATOM 0 HH21 ARG A 36 92.091 -4.483 1.050 1.00 1.00 H new ATOM 0 HH22 ARG A 36 91.286 -5.088 -0.401 1.00 1.00 H new ATOM 563 N GLN A 37 87.666 0.588 -1.643 1.00 1.00 N ATOM 564 CA GLN A 37 86.557 -0.407 -1.558 1.00 1.00 C ATOM 565 C GLN A 37 85.960 -0.683 -2.947 1.00 1.00 C ATOM 566 O GLN A 37 84.839 -1.138 -3.058 1.00 1.00 O ATOM 567 CB GLN A 37 85.455 0.132 -0.636 1.00 1.00 C ATOM 568 CG GLN A 37 84.655 -1.037 -0.058 1.00 1.00 C ATOM 569 CD GLN A 37 85.469 -1.718 1.044 1.00 1.00 C ATOM 570 OE1 GLN A 37 85.856 -1.022 2.078 1.00 1.00 O flip ATOM 571 NE2 GLN A 37 85.757 -2.896 0.962 1.00 1.00 N flip ATOM 0 H GLN A 37 87.809 1.009 -2.561 1.00 1.00 H new ATOM 0 HA GLN A 37 86.960 -1.337 -1.159 1.00 1.00 H new ATOM 0 HB2 GLN A 37 85.895 0.719 0.170 1.00 1.00 H new ATOM 0 HB3 GLN A 37 84.795 0.798 -1.192 1.00 1.00 H new ATOM 0 HG2 GLN A 37 83.707 -0.679 0.344 1.00 1.00 H new ATOM 0 HG3 GLN A 37 84.418 -1.753 -0.845 1.00 1.00 H new ATOM 0 HE21 GLN A 37 85.455 -3.440 0.154 1.00 1.00 H new ATOM 0 HE22 GLN A 37 86.301 -3.341 1.701 1.00 1.00 H new ATOM 580 N CYS A 38 86.680 -0.426 -4.010 1.00 1.00 N ATOM 581 CA CYS A 38 86.102 -0.700 -5.359 1.00 1.00 C ATOM 582 C CYS A 38 87.078 -0.258 -6.454 1.00 1.00 C ATOM 583 O CYS A 38 87.100 0.890 -6.851 1.00 1.00 O ATOM 584 CB CYS A 38 84.781 0.064 -5.511 1.00 1.00 C ATOM 585 SG CYS A 38 83.409 -1.113 -5.599 1.00 1.00 S ATOM 0 H CYS A 38 87.626 -0.045 -4.004 1.00 1.00 H new ATOM 0 HA CYS A 38 85.922 -1.771 -5.458 1.00 1.00 H new ATOM 0 HB2 CYS A 38 84.641 0.740 -4.668 1.00 1.00 H new ATOM 0 HB3 CYS A 38 84.805 0.678 -6.411 1.00 1.00 H new ATOM 590 N LYS A 39 87.858 -1.172 -6.969 1.00 1.00 N ATOM 591 CA LYS A 39 88.811 -0.825 -8.066 1.00 1.00 C ATOM 592 C LYS A 39 89.579 -2.079 -8.492 1.00 1.00 C ATOM 593 O LYS A 39 90.452 -2.552 -7.792 1.00 1.00 O ATOM 594 CB LYS A 39 89.809 0.241 -7.602 1.00 1.00 C ATOM 595 CG LYS A 39 90.445 0.905 -8.825 1.00 1.00 C ATOM 596 CD LYS A 39 91.697 1.673 -8.396 1.00 1.00 C ATOM 597 CE LYS A 39 92.905 0.734 -8.419 1.00 1.00 C ATOM 598 NZ LYS A 39 93.357 0.541 -9.826 1.00 1.00 N ATOM 0 H LYS A 39 87.876 -2.149 -6.676 1.00 1.00 H new ATOM 0 HA LYS A 39 88.240 -0.431 -8.907 1.00 1.00 H new ATOM 0 HB2 LYS A 39 89.303 0.988 -6.991 1.00 1.00 H new ATOM 0 HB3 LYS A 39 90.579 -0.213 -6.978 1.00 1.00 H new ATOM 0 HG2 LYS A 39 90.705 0.151 -9.568 1.00 1.00 H new ATOM 0 HG3 LYS A 39 89.733 1.583 -9.295 1.00 1.00 H new ATOM 0 HD2 LYS A 39 91.866 2.517 -9.065 1.00 1.00 H new ATOM 0 HD3 LYS A 39 91.560 2.082 -7.395 1.00 1.00 H new ATOM 0 HE2 LYS A 39 93.714 1.151 -7.820 1.00 1.00 H new ATOM 0 HE3 LYS A 39 92.641 -0.226 -7.975 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 94.316 0.138 -9.830 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 92.707 -0.108 -10.314 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 93.364 1.458 -10.317 1.00 1.00 H new ATOM 612 N SER A 40 89.263 -2.616 -9.638 1.00 1.00 N ATOM 613 CA SER A 40 89.975 -3.836 -10.119 1.00 1.00 C ATOM 614 C SER A 40 89.940 -4.920 -9.037 1.00 1.00 C ATOM 615 O SER A 40 90.620 -4.832 -8.034 1.00 1.00 O ATOM 616 CB SER A 40 91.428 -3.485 -10.441 1.00 1.00 C ATOM 617 OG SER A 40 92.192 -4.680 -10.522 1.00 1.00 O ATOM 0 H SER A 40 88.540 -2.262 -10.265 1.00 1.00 H new ATOM 0 HA SER A 40 89.481 -4.209 -11.016 1.00 1.00 H new ATOM 0 HB2 SER A 40 91.482 -2.940 -11.384 1.00 1.00 H new ATOM 0 HB3 SER A 40 91.836 -2.831 -9.671 1.00 1.00 H new ATOM 0 HG SER A 40 93.124 -4.459 -10.730 1.00 1.00 H new ATOM 623 N LYS A 41 89.159 -5.948 -9.236 1.00 1.00 N ATOM 624 CA LYS A 41 89.089 -7.041 -8.222 1.00 1.00 C ATOM 625 C LYS A 41 88.840 -8.382 -8.929 1.00 1.00 C ATOM 626 O LYS A 41 88.081 -8.456 -9.875 1.00 1.00 O ATOM 627 CB LYS A 41 87.959 -6.749 -7.219 1.00 1.00 C ATOM 628 CG LYS A 41 86.605 -7.088 -7.846 1.00 1.00 C ATOM 629 CD LYS A 41 86.367 -6.194 -9.064 1.00 1.00 C ATOM 630 CE LYS A 41 86.419 -4.726 -8.638 1.00 1.00 C ATOM 631 NZ LYS A 41 85.524 -3.922 -9.517 1.00 1.00 N ATOM 0 H LYS A 41 88.567 -6.078 -10.056 1.00 1.00 H new ATOM 0 HA LYS A 41 90.033 -7.096 -7.680 1.00 1.00 H new ATOM 0 HB2 LYS A 41 88.106 -7.335 -6.312 1.00 1.00 H new ATOM 0 HB3 LYS A 41 87.982 -5.699 -6.928 1.00 1.00 H new ATOM 0 HG2 LYS A 41 86.582 -8.137 -8.142 1.00 1.00 H new ATOM 0 HG3 LYS A 41 85.808 -6.945 -7.116 1.00 1.00 H new ATOM 0 HD2 LYS A 41 87.122 -6.390 -9.825 1.00 1.00 H new ATOM 0 HD3 LYS A 41 85.399 -6.420 -9.510 1.00 1.00 H new ATOM 0 HE2 LYS A 41 86.109 -4.627 -7.598 1.00 1.00 H new ATOM 0 HE3 LYS A 41 87.441 -4.353 -8.703 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 85.559 -2.924 -9.228 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 85.839 -4.008 -10.504 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 84.549 -4.273 -9.433 1.00 1.00 H new ATOM 645 N PRO A 42 89.473 -9.438 -8.477 1.00 1.00 N ATOM 646 CA PRO A 42 89.308 -10.792 -9.084 1.00 1.00 C ATOM 647 C PRO A 42 87.958 -11.428 -8.721 1.00 1.00 C ATOM 648 O PRO A 42 87.382 -11.123 -7.695 1.00 1.00 O ATOM 649 CB PRO A 42 90.459 -11.599 -8.479 1.00 1.00 C ATOM 650 CG PRO A 42 90.735 -10.946 -7.165 1.00 1.00 C ATOM 651 CD PRO A 42 90.409 -9.460 -7.341 1.00 1.00 C ATOM 0 HA PRO A 42 89.325 -10.756 -10.173 1.00 1.00 H new ATOM 0 HB2 PRO A 42 90.183 -12.646 -8.350 1.00 1.00 H new ATOM 0 HB3 PRO A 42 91.338 -11.578 -9.123 1.00 1.00 H new ATOM 0 HG2 PRO A 42 90.124 -11.386 -6.377 1.00 1.00 H new ATOM 0 HG3 PRO A 42 91.777 -11.083 -6.875 1.00 1.00 H new ATOM 0 HD2 PRO A 42 89.957 -9.040 -6.442 1.00 1.00 H new ATOM 0 HD3 PRO A 42 91.305 -8.876 -7.550 1.00 1.00 H new ATOM 659 N PRO A 43 87.460 -12.309 -9.552 1.00 1.00 N ATOM 660 CA PRO A 43 86.160 -13.000 -9.307 1.00 1.00 C ATOM 661 C PRO A 43 86.286 -14.111 -8.258 1.00 1.00 C ATOM 662 O PRO A 43 87.078 -15.021 -8.399 1.00 1.00 O ATOM 663 CB PRO A 43 85.811 -13.591 -10.674 1.00 1.00 C ATOM 664 CG PRO A 43 87.128 -13.828 -11.336 1.00 1.00 C ATOM 665 CD PRO A 43 88.079 -12.746 -10.814 1.00 1.00 C ATOM 0 HA PRO A 43 85.401 -12.322 -8.916 1.00 1.00 H new ATOM 0 HB2 PRO A 43 85.247 -14.518 -10.572 1.00 1.00 H new ATOM 0 HB3 PRO A 43 85.194 -12.906 -11.255 1.00 1.00 H new ATOM 0 HG2 PRO A 43 87.506 -14.823 -11.101 1.00 1.00 H new ATOM 0 HG3 PRO A 43 87.033 -13.771 -12.420 1.00 1.00 H new ATOM 0 HD2 PRO A 43 89.082 -13.140 -10.651 1.00 1.00 H new ATOM 0 HD3 PRO A 43 88.172 -11.921 -11.520 1.00 1.00 H new ATOM 673 N LYS A 44 85.510 -14.043 -7.209 1.00 1.00 N ATOM 674 CA LYS A 44 85.583 -15.095 -6.152 1.00 1.00 C ATOM 675 C LYS A 44 84.174 -15.395 -5.636 1.00 1.00 C ATOM 676 O LYS A 44 83.351 -15.948 -6.338 1.00 1.00 O ATOM 677 CB LYS A 44 86.454 -14.601 -4.992 1.00 1.00 C ATOM 678 CG LYS A 44 87.914 -14.522 -5.442 1.00 1.00 C ATOM 679 CD LYS A 44 88.445 -15.933 -5.704 1.00 1.00 C ATOM 680 CE LYS A 44 89.959 -15.958 -5.484 1.00 1.00 C ATOM 681 NZ LYS A 44 90.591 -14.847 -6.249 1.00 1.00 N ATOM 0 H LYS A 44 84.828 -13.304 -7.038 1.00 1.00 H new ATOM 0 HA LYS A 44 86.020 -16.000 -6.573 1.00 1.00 H new ATOM 0 HB2 LYS A 44 86.112 -13.621 -4.659 1.00 1.00 H new ATOM 0 HB3 LYS A 44 86.361 -15.276 -4.141 1.00 1.00 H new ATOM 0 HG2 LYS A 44 87.995 -13.918 -6.346 1.00 1.00 H new ATOM 0 HG3 LYS A 44 88.516 -14.032 -4.676 1.00 1.00 H new ATOM 0 HD2 LYS A 44 87.958 -16.646 -5.038 1.00 1.00 H new ATOM 0 HD3 LYS A 44 88.210 -16.238 -6.724 1.00 1.00 H new ATOM 0 HE2 LYS A 44 90.185 -15.857 -4.422 1.00 1.00 H new ATOM 0 HE3 LYS A 44 90.368 -16.915 -5.807 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 91.598 -15.058 -6.399 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 90.118 -14.746 -7.169 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 90.499 -13.960 -5.713 1.00 1.00 H new ATOM 695 N LYS A 45 83.888 -15.036 -4.414 1.00 1.00 N ATOM 696 CA LYS A 45 82.532 -15.302 -3.857 1.00 1.00 C ATOM 697 C LYS A 45 82.292 -14.404 -2.641 1.00 1.00 C ATOM 698 O LYS A 45 81.174 -14.228 -2.199 1.00 1.00 O ATOM 699 CB LYS A 45 82.431 -16.771 -3.436 1.00 1.00 C ATOM 700 CG LYS A 45 83.697 -17.174 -2.677 1.00 1.00 C ATOM 701 CD LYS A 45 83.598 -18.643 -2.262 1.00 1.00 C ATOM 702 CE LYS A 45 84.931 -19.097 -1.665 1.00 1.00 C ATOM 703 NZ LYS A 45 84.960 -20.584 -1.586 1.00 1.00 N ATOM 0 H LYS A 45 84.535 -14.570 -3.778 1.00 1.00 H new ATOM 0 HA LYS A 45 81.780 -15.090 -4.617 1.00 1.00 H new ATOM 0 HB2 LYS A 45 81.554 -16.920 -2.806 1.00 1.00 H new ATOM 0 HB3 LYS A 45 82.304 -17.404 -4.314 1.00 1.00 H new ATOM 0 HG2 LYS A 45 84.575 -17.021 -3.305 1.00 1.00 H new ATOM 0 HG3 LYS A 45 83.822 -16.544 -1.796 1.00 1.00 H new ATOM 0 HD2 LYS A 45 82.798 -18.773 -1.533 1.00 1.00 H new ATOM 0 HD3 LYS A 45 83.345 -19.259 -3.125 1.00 1.00 H new ATOM 0 HE2 LYS A 45 85.757 -18.739 -2.279 1.00 1.00 H new ATOM 0 HE3 LYS A 45 85.062 -18.667 -0.672 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 85.866 -20.892 -1.180 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 84.180 -20.915 -0.983 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 84.854 -20.984 -2.540 1.00 1.00 H new ATOM 717 N GLY A 46 83.332 -13.832 -2.098 1.00 1.00 N ATOM 718 CA GLY A 46 83.158 -12.946 -0.912 1.00 1.00 C ATOM 719 C GLY A 46 84.498 -12.784 -0.191 1.00 1.00 C ATOM 720 O GLY A 46 84.952 -11.685 0.057 1.00 1.00 O ATOM 0 H GLY A 46 84.293 -13.940 -2.423 1.00 1.00 H new ATOM 0 HA2 GLY A 46 82.782 -11.972 -1.225 1.00 1.00 H new ATOM 0 HA3 GLY A 46 82.418 -13.370 -0.234 1.00 1.00 H new ATOM 724 N VAL A 47 85.134 -13.872 0.149 1.00 1.00 N ATOM 725 CA VAL A 47 86.443 -13.781 0.855 1.00 1.00 C ATOM 726 C VAL A 47 87.464 -13.084 -0.047 1.00 1.00 C ATOM 727 O VAL A 47 88.347 -13.709 -0.599 1.00 1.00 O ATOM 728 CB VAL A 47 86.939 -15.190 1.192 1.00 1.00 C ATOM 729 CG1 VAL A 47 86.185 -15.719 2.413 1.00 1.00 C ATOM 730 CG2 VAL A 47 86.689 -16.116 0.000 1.00 1.00 C ATOM 0 H VAL A 47 84.803 -14.820 -0.032 1.00 1.00 H new ATOM 0 HA VAL A 47 86.320 -13.208 1.774 1.00 1.00 H new ATOM 0 HB VAL A 47 88.006 -15.156 1.411 1.00 1.00 H new ATOM 0 HG11 VAL A 47 86.538 -16.722 2.652 1.00 1.00 H new ATOM 0 HG12 VAL A 47 86.361 -15.060 3.263 1.00 1.00 H new ATOM 0 HG13 VAL A 47 85.118 -15.753 2.195 1.00 1.00 H new ATOM 0 HG21 VAL A 47 87.042 -17.119 0.239 1.00 1.00 H new ATOM 0 HG22 VAL A 47 85.621 -16.149 -0.218 1.00 1.00 H new ATOM 0 HG23 VAL A 47 87.226 -15.740 -0.871 1.00 1.00 H new ATOM 740 N GLN A 48 87.351 -11.793 -0.200 1.00 1.00 N ATOM 741 CA GLN A 48 88.317 -11.059 -1.066 1.00 1.00 C ATOM 742 C GLN A 48 88.270 -9.567 -0.735 1.00 1.00 C ATOM 743 O GLN A 48 87.249 -9.042 -0.336 1.00 1.00 O ATOM 744 CB GLN A 48 87.947 -11.267 -2.537 1.00 1.00 C ATOM 745 CG GLN A 48 86.582 -10.635 -2.815 1.00 1.00 C ATOM 746 CD GLN A 48 86.106 -11.040 -4.212 1.00 1.00 C ATOM 747 OE1 GLN A 48 86.899 -11.420 -5.050 1.00 1.00 O ATOM 748 NE2 GLN A 48 84.835 -10.976 -4.499 1.00 1.00 N ATOM 0 H GLN A 48 86.633 -11.215 0.237 1.00 1.00 H new ATOM 0 HA GLN A 48 89.323 -11.439 -0.887 1.00 1.00 H new ATOM 0 HB2 GLN A 48 88.705 -10.819 -3.180 1.00 1.00 H new ATOM 0 HB3 GLN A 48 87.921 -12.332 -2.769 1.00 1.00 H new ATOM 0 HG2 GLN A 48 85.860 -10.959 -2.065 1.00 1.00 H new ATOM 0 HG3 GLN A 48 86.651 -9.550 -2.743 1.00 1.00 H new ATOM 0 HE21 GLN A 48 84.169 -10.657 -3.796 1.00 1.00 H new ATOM 0 HE22 GLN A 48 84.507 -11.245 -5.427 1.00 1.00 H new ATOM 757 N GLY A 49 89.366 -8.878 -0.899 1.00 1.00 N ATOM 758 CA GLY A 49 89.380 -7.419 -0.597 1.00 1.00 C ATOM 759 C GLY A 49 88.458 -6.690 -1.575 1.00 1.00 C ATOM 760 O GLY A 49 87.308 -7.043 -1.737 1.00 1.00 O ATOM 0 H GLY A 49 90.252 -9.262 -1.229 1.00 1.00 H new ATOM 0 HA2 GLY A 49 89.052 -7.245 0.428 1.00 1.00 H new ATOM 0 HA3 GLY A 49 90.395 -7.029 -0.677 1.00 1.00 H new ATOM 764 N CYS A 50 88.954 -5.678 -2.233 1.00 1.00 N ATOM 765 CA CYS A 50 88.105 -4.931 -3.204 1.00 1.00 C ATOM 766 C CYS A 50 88.999 -4.222 -4.223 1.00 1.00 C ATOM 767 O CYS A 50 89.303 -4.755 -5.271 1.00 1.00 O ATOM 768 CB CYS A 50 87.262 -3.896 -2.456 1.00 1.00 C ATOM 769 SG CYS A 50 85.930 -4.734 -1.562 1.00 1.00 S ATOM 0 H CYS A 50 89.911 -5.336 -2.140 1.00 1.00 H new ATOM 0 HA CYS A 50 87.446 -5.628 -3.722 1.00 1.00 H new ATOM 0 HB2 CYS A 50 87.887 -3.338 -1.759 1.00 1.00 H new ATOM 0 HB3 CYS A 50 86.845 -3.175 -3.159 1.00 1.00 H new ATOM 774 N GLY A 51 89.424 -3.024 -3.927 1.00 1.00 N ATOM 775 CA GLY A 51 90.297 -2.289 -4.887 1.00 1.00 C ATOM 776 C GLY A 51 90.961 -1.105 -4.183 1.00 1.00 C ATOM 777 O GLY A 51 91.759 -1.275 -3.284 1.00 1.00 O ATOM 0 H GLY A 51 89.206 -2.524 -3.065 1.00 1.00 H new ATOM 0 HA2 GLY A 51 91.058 -2.959 -5.287 1.00 1.00 H new ATOM 0 HA3 GLY A 51 89.707 -1.936 -5.733 1.00 1.00 H new ATOM 781 N ASP A 52 90.641 0.095 -4.586 1.00 1.00 N ATOM 782 CA ASP A 52 91.257 1.287 -3.937 1.00 1.00 C ATOM 783 C ASP A 52 90.382 2.519 -4.194 1.00 1.00 C ATOM 784 O ASP A 52 90.869 3.575 -4.545 1.00 1.00 O ATOM 785 CB ASP A 52 92.659 1.517 -4.515 1.00 1.00 C ATOM 786 CG ASP A 52 93.525 2.239 -3.482 1.00 1.00 C ATOM 787 OD1 ASP A 52 92.963 2.904 -2.627 1.00 1.00 O ATOM 788 OD2 ASP A 52 94.736 2.116 -3.563 1.00 1.00 O ATOM 0 H ASP A 52 89.981 0.301 -5.336 1.00 1.00 H new ATOM 0 HA ASP A 52 91.334 1.118 -2.863 1.00 1.00 H new ATOM 0 HB2 ASP A 52 93.114 0.564 -4.784 1.00 1.00 H new ATOM 0 HB3 ASP A 52 92.595 2.108 -5.428 1.00 1.00 H new ATOM 793 N ASP A 53 89.094 2.392 -4.018 1.00 1.00 N ATOM 794 CA ASP A 53 88.189 3.555 -4.249 1.00 1.00 C ATOM 795 C ASP A 53 86.789 3.226 -3.720 1.00 1.00 C ATOM 796 O ASP A 53 86.337 2.101 -3.794 1.00 1.00 O ATOM 797 CB ASP A 53 88.113 3.853 -5.748 1.00 1.00 C ATOM 798 CG ASP A 53 87.527 5.250 -5.963 1.00 1.00 C ATOM 799 OD1 ASP A 53 86.315 5.377 -5.903 1.00 1.00 O ATOM 800 OD2 ASP A 53 88.299 6.167 -6.184 1.00 1.00 O ATOM 0 H ASP A 53 88.629 1.533 -3.724 1.00 1.00 H new ATOM 0 HA ASP A 53 88.578 4.428 -3.725 1.00 1.00 H new ATOM 0 HB2 ASP A 53 89.106 3.792 -6.192 1.00 1.00 H new ATOM 0 HB3 ASP A 53 87.494 3.107 -6.247 1.00 1.00 H new ATOM 805 N ILE A 54 86.099 4.200 -3.188 1.00 1.00 N ATOM 806 CA ILE A 54 84.728 3.943 -2.656 1.00 1.00 C ATOM 807 C ILE A 54 83.716 4.066 -3.806 1.00 1.00 C ATOM 808 O ILE A 54 83.833 4.937 -4.645 1.00 1.00 O ATOM 809 CB ILE A 54 84.420 4.976 -1.548 1.00 1.00 C ATOM 810 CG1 ILE A 54 84.498 4.293 -0.181 1.00 1.00 C ATOM 811 CG2 ILE A 54 83.014 5.543 -1.753 1.00 1.00 C ATOM 812 CD1 ILE A 54 85.950 3.916 0.120 1.00 1.00 C ATOM 0 H ILE A 54 86.425 5.162 -3.099 1.00 1.00 H new ATOM 0 HA ILE A 54 84.662 2.940 -2.233 1.00 1.00 H new ATOM 0 HB ILE A 54 85.148 5.786 -1.594 1.00 1.00 H new ATOM 0 HG12 ILE A 54 84.117 4.960 0.593 1.00 1.00 H new ATOM 0 HG13 ILE A 54 83.870 3.402 -0.172 1.00 1.00 H new ATOM 0 HG21 ILE A 54 82.798 6.271 -0.971 1.00 1.00 H new ATOM 0 HG22 ILE A 54 82.956 6.028 -2.727 1.00 1.00 H new ATOM 0 HG23 ILE A 54 82.285 4.734 -1.707 1.00 1.00 H new ATOM 0 HD11 ILE A 54 86.005 3.430 1.094 1.00 1.00 H new ATOM 0 HD12 ILE A 54 86.315 3.234 -0.648 1.00 1.00 H new ATOM 0 HD13 ILE A 54 86.565 4.816 0.129 1.00 1.00 H new ATOM 824 N PRO A 55 82.726 3.205 -3.847 1.00 1.00 N ATOM 825 CA PRO A 55 81.685 3.233 -4.916 1.00 1.00 C ATOM 826 C PRO A 55 80.657 4.350 -4.693 1.00 1.00 C ATOM 827 O PRO A 55 79.477 4.175 -4.920 1.00 1.00 O ATOM 828 CB PRO A 55 81.023 1.859 -4.800 1.00 1.00 C ATOM 829 CG PRO A 55 81.175 1.486 -3.362 1.00 1.00 C ATOM 830 CD PRO A 55 82.487 2.117 -2.884 1.00 1.00 C ATOM 0 HA PRO A 55 82.110 3.431 -5.900 1.00 1.00 H new ATOM 0 HB2 PRO A 55 79.973 1.899 -5.090 1.00 1.00 H new ATOM 0 HB3 PRO A 55 81.506 1.130 -5.451 1.00 1.00 H new ATOM 0 HG2 PRO A 55 80.332 1.852 -2.775 1.00 1.00 H new ATOM 0 HG3 PRO A 55 81.200 0.403 -3.243 1.00 1.00 H new ATOM 0 HD2 PRO A 55 82.401 2.496 -1.866 1.00 1.00 H new ATOM 0 HD3 PRO A 55 83.303 1.394 -2.887 1.00 1.00 H new ATOM 838 N GLY A 56 81.098 5.494 -4.248 1.00 1.00 N ATOM 839 CA GLY A 56 80.145 6.616 -4.011 1.00 1.00 C ATOM 840 C GLY A 56 79.173 6.230 -2.895 1.00 1.00 C ATOM 841 O GLY A 56 78.073 5.779 -3.145 1.00 1.00 O ATOM 0 H GLY A 56 82.075 5.701 -4.038 1.00 1.00 H new ATOM 0 HA2 GLY A 56 80.690 7.519 -3.737 1.00 1.00 H new ATOM 0 HA3 GLY A 56 79.596 6.840 -4.925 1.00 1.00 H new ATOM 845 N MET A 57 79.574 6.402 -1.664 1.00 1.00 N ATOM 846 CA MET A 57 78.678 6.043 -0.525 1.00 1.00 C ATOM 847 C MET A 57 77.258 6.543 -0.805 1.00 1.00 C ATOM 848 O MET A 57 76.289 5.851 -0.565 1.00 1.00 O ATOM 849 CB MET A 57 79.203 6.690 0.759 1.00 1.00 C ATOM 850 CG MET A 57 79.091 8.212 0.648 1.00 1.00 C ATOM 851 SD MET A 57 80.120 8.987 1.920 1.00 1.00 S ATOM 852 CE MET A 57 79.071 10.433 2.210 1.00 1.00 C ATOM 0 H MET A 57 80.485 6.776 -1.397 1.00 1.00 H new ATOM 0 HA MET A 57 78.661 4.959 -0.408 1.00 1.00 H new ATOM 0 HB2 MET A 57 78.633 6.335 1.617 1.00 1.00 H new ATOM 0 HB3 MET A 57 80.241 6.403 0.925 1.00 1.00 H new ATOM 0 HG2 MET A 57 79.409 8.540 -0.342 1.00 1.00 H new ATOM 0 HG3 MET A 57 78.052 8.521 0.767 1.00 1.00 H new ATOM 0 HE1 MET A 57 79.524 11.063 2.975 1.00 1.00 H new ATOM 0 HE2 MET A 57 78.970 11.001 1.285 1.00 1.00 H new ATOM 0 HE3 MET A 57 78.086 10.107 2.545 1.00 1.00 H new ATOM 862 N GLU A 58 77.126 7.739 -1.310 1.00 1.00 N ATOM 863 CA GLU A 58 75.767 8.277 -1.604 1.00 1.00 C ATOM 864 C GLU A 58 75.883 9.457 -2.571 1.00 1.00 C ATOM 865 O GLU A 58 76.819 10.229 -2.514 1.00 1.00 O ATOM 866 CB GLU A 58 75.110 8.745 -0.304 1.00 1.00 C ATOM 867 CG GLU A 58 73.625 9.017 -0.551 1.00 1.00 C ATOM 868 CD GLU A 58 72.975 9.519 0.740 1.00 1.00 C ATOM 869 OE1 GLU A 58 73.636 10.239 1.471 1.00 1.00 O ATOM 870 OE2 GLU A 58 71.829 9.176 0.975 1.00 1.00 O ATOM 0 H GLU A 58 77.899 8.366 -1.532 1.00 1.00 H new ATOM 0 HA GLU A 58 75.158 7.495 -2.057 1.00 1.00 H new ATOM 0 HB2 GLU A 58 75.228 7.986 0.469 1.00 1.00 H new ATOM 0 HB3 GLU A 58 75.600 9.648 0.059 1.00 1.00 H new ATOM 0 HG2 GLU A 58 73.507 9.758 -1.342 1.00 1.00 H new ATOM 0 HG3 GLU A 58 73.129 8.107 -0.890 1.00 1.00 H new ATOM 877 N GLY A 59 74.937 9.604 -3.458 1.00 1.00 N ATOM 878 CA GLY A 59 74.994 10.735 -4.426 1.00 1.00 C ATOM 879 C GLY A 59 73.671 10.825 -5.191 1.00 1.00 C ATOM 880 O GLY A 59 73.495 11.668 -6.048 1.00 1.00 O ATOM 0 H GLY A 59 74.128 8.990 -3.554 1.00 1.00 H new ATOM 0 HA2 GLY A 59 75.184 11.669 -3.898 1.00 1.00 H new ATOM 0 HA3 GLY A 59 75.819 10.589 -5.123 1.00 1.00 H new ATOM 884 N CYS A 60 72.739 9.962 -4.889 1.00 1.00 N ATOM 885 CA CYS A 60 71.428 9.997 -5.599 1.00 1.00 C ATOM 886 C CYS A 60 70.322 9.532 -4.649 1.00 1.00 C ATOM 887 O CYS A 60 70.438 9.638 -3.444 1.00 1.00 O ATOM 888 CB CYS A 60 71.482 9.068 -6.815 1.00 1.00 C ATOM 889 SG CYS A 60 73.172 9.020 -7.462 1.00 1.00 S ATOM 0 H CYS A 60 72.829 9.234 -4.181 1.00 1.00 H new ATOM 0 HA CYS A 60 71.219 11.015 -5.929 1.00 1.00 H new ATOM 0 HB2 CYS A 60 71.160 8.065 -6.535 1.00 1.00 H new ATOM 0 HB3 CYS A 60 70.796 9.420 -7.586 1.00 1.00 H new ATOM 894 N GLY A 61 69.251 9.008 -5.184 1.00 1.00 N ATOM 895 CA GLY A 61 68.139 8.525 -4.318 1.00 1.00 C ATOM 896 C GLY A 61 68.308 7.025 -4.086 1.00 1.00 C ATOM 897 O GLY A 61 69.360 6.566 -3.687 1.00 1.00 O ATOM 0 H GLY A 61 69.099 8.894 -6.186 1.00 1.00 H new ATOM 0 HA2 GLY A 61 68.144 9.056 -3.366 1.00 1.00 H new ATOM 0 HA3 GLY A 61 67.178 8.727 -4.791 1.00 1.00 H new ATOM 901 N THR A 62 67.286 6.254 -4.334 1.00 1.00 N ATOM 902 CA THR A 62 67.404 4.783 -4.126 1.00 1.00 C ATOM 903 C THR A 62 66.041 4.120 -4.329 1.00 1.00 C ATOM 904 O THR A 62 65.834 2.985 -3.950 1.00 1.00 O ATOM 905 CB THR A 62 67.908 4.497 -2.706 1.00 1.00 C ATOM 906 OG1 THR A 62 67.391 3.250 -2.264 1.00 1.00 O ATOM 907 CG2 THR A 62 67.442 5.608 -1.763 1.00 1.00 C ATOM 0 H THR A 62 66.378 6.576 -4.670 1.00 1.00 H new ATOM 0 HA THR A 62 68.113 4.378 -4.848 1.00 1.00 H new ATOM 0 HB THR A 62 68.997 4.459 -2.708 1.00 1.00 H new ATOM 0 HG1 THR A 62 66.534 3.076 -2.706 1.00 1.00 H new ATOM 0 HG21 THR A 62 67.801 5.403 -0.754 1.00 1.00 H new ATOM 0 HG22 THR A 62 67.840 6.564 -2.103 1.00 1.00 H new ATOM 0 HG23 THR A 62 66.353 5.649 -1.759 1.00 1.00 H new ATOM 915 N ASP A 63 65.112 4.810 -4.932 1.00 1.00 N ATOM 916 CA ASP A 63 63.774 4.198 -5.164 1.00 1.00 C ATOM 917 C ASP A 63 63.942 2.996 -6.094 1.00 1.00 C ATOM 918 O ASP A 63 63.563 3.036 -7.247 1.00 1.00 O ATOM 919 CB ASP A 63 62.844 5.226 -5.814 1.00 1.00 C ATOM 920 CG ASP A 63 62.882 6.528 -5.012 1.00 1.00 C ATOM 921 OD1 ASP A 63 63.864 7.243 -5.127 1.00 1.00 O ATOM 922 OD2 ASP A 63 61.928 6.788 -4.297 1.00 1.00 O ATOM 0 H ASP A 63 65.221 5.765 -5.272 1.00 1.00 H new ATOM 0 HA ASP A 63 63.341 3.878 -4.216 1.00 1.00 H new ATOM 0 HB2 ASP A 63 63.152 5.411 -6.843 1.00 1.00 H new ATOM 0 HB3 ASP A 63 61.826 4.839 -5.851 1.00 1.00 H new ATOM 927 N ILE A 64 64.525 1.934 -5.596 1.00 1.00 N ATOM 928 CA ILE A 64 64.752 0.716 -6.431 1.00 1.00 C ATOM 929 C ILE A 64 64.992 1.114 -7.884 1.00 1.00 C ATOM 930 O ILE A 64 64.164 0.900 -8.746 1.00 1.00 O ATOM 931 CB ILE A 64 63.548 -0.229 -6.331 1.00 1.00 C ATOM 932 CG1 ILE A 64 63.639 -1.287 -7.433 1.00 1.00 C ATOM 933 CG2 ILE A 64 62.255 0.571 -6.500 1.00 1.00 C ATOM 934 CD1 ILE A 64 63.062 -2.608 -6.922 1.00 1.00 C ATOM 0 H ILE A 64 64.857 1.859 -4.634 1.00 1.00 H new ATOM 0 HA ILE A 64 65.634 0.195 -6.059 1.00 1.00 H new ATOM 0 HB ILE A 64 63.549 -0.716 -5.356 1.00 1.00 H new ATOM 0 HG12 ILE A 64 63.091 -0.956 -8.315 1.00 1.00 H new ATOM 0 HG13 ILE A 64 64.677 -1.424 -7.735 1.00 1.00 H new ATOM 0 HG21 ILE A 64 61.400 -0.101 -6.429 1.00 1.00 H new ATOM 0 HG22 ILE A 64 62.189 1.326 -5.717 1.00 1.00 H new ATOM 0 HG23 ILE A 64 62.254 1.058 -7.475 1.00 1.00 H new ATOM 0 HD11 ILE A 64 63.127 -3.361 -7.707 1.00 1.00 H new ATOM 0 HD12 ILE A 64 63.629 -2.940 -6.052 1.00 1.00 H new ATOM 0 HD13 ILE A 64 62.018 -2.465 -6.642 1.00 1.00 H new ATOM 946 N THR A 65 66.130 1.679 -8.170 1.00 1.00 N ATOM 947 CA THR A 65 66.411 2.061 -9.579 1.00 1.00 C ATOM 948 C THR A 65 66.273 0.802 -10.429 1.00 1.00 C ATOM 949 O THR A 65 66.037 0.852 -11.620 1.00 1.00 O ATOM 950 CB THR A 65 67.833 2.616 -9.697 1.00 1.00 C ATOM 951 OG1 THR A 65 68.050 3.577 -8.674 1.00 1.00 O ATOM 952 CG2 THR A 65 68.014 3.274 -11.066 1.00 1.00 C ATOM 0 H THR A 65 66.869 1.890 -7.499 1.00 1.00 H new ATOM 0 HA THR A 65 65.716 2.831 -9.914 1.00 1.00 H new ATOM 0 HB THR A 65 68.551 1.803 -9.590 1.00 1.00 H new ATOM 0 HG1 THR A 65 68.960 3.932 -8.747 1.00 1.00 H new ATOM 0 HG21 THR A 65 69.027 3.669 -11.149 1.00 1.00 H new ATOM 0 HG22 THR A 65 67.847 2.535 -11.850 1.00 1.00 H new ATOM 0 HG23 THR A 65 67.297 4.088 -11.176 1.00 1.00 H new ATOM 960 N VAL A 66 66.404 -0.330 -9.796 1.00 1.00 N ATOM 961 CA VAL A 66 66.274 -1.632 -10.503 1.00 1.00 C ATOM 962 C VAL A 66 65.985 -2.705 -9.450 1.00 1.00 C ATOM 963 O VAL A 66 64.859 -3.121 -9.262 1.00 1.00 O ATOM 964 CB VAL A 66 67.585 -1.965 -11.237 1.00 1.00 C ATOM 965 CG1 VAL A 66 67.466 -1.558 -12.707 1.00 1.00 C ATOM 966 CG2 VAL A 66 68.739 -1.197 -10.589 1.00 1.00 C ATOM 0 H VAL A 66 66.600 -0.408 -8.798 1.00 1.00 H new ATOM 0 HA VAL A 66 65.470 -1.587 -11.238 1.00 1.00 H new ATOM 0 HB VAL A 66 67.776 -3.036 -11.171 1.00 1.00 H new ATOM 0 HG11 VAL A 66 68.395 -1.794 -13.226 1.00 1.00 H new ATOM 0 HG12 VAL A 66 66.643 -2.103 -13.170 1.00 1.00 H new ATOM 0 HG13 VAL A 66 67.275 -0.487 -12.774 1.00 1.00 H new ATOM 0 HG21 VAL A 66 69.669 -1.432 -11.107 1.00 1.00 H new ATOM 0 HG22 VAL A 66 68.546 -0.126 -10.656 1.00 1.00 H new ATOM 0 HG23 VAL A 66 68.825 -1.485 -9.541 1.00 1.00 H new ATOM 976 N ILE A 67 66.997 -3.133 -8.746 1.00 1.00 N ATOM 977 CA ILE A 67 66.804 -4.151 -7.677 1.00 1.00 C ATOM 978 C ILE A 67 67.667 -3.763 -6.465 1.00 1.00 C ATOM 979 O ILE A 67 68.835 -4.083 -6.389 1.00 1.00 O ATOM 980 CB ILE A 67 67.179 -5.546 -8.216 1.00 1.00 C ATOM 981 CG1 ILE A 67 66.542 -6.621 -7.332 1.00 1.00 C ATOM 982 CG2 ILE A 67 68.700 -5.709 -8.199 1.00 1.00 C ATOM 983 CD1 ILE A 67 66.494 -7.946 -8.093 1.00 1.00 C ATOM 0 H ILE A 67 67.959 -2.817 -8.868 1.00 1.00 H new ATOM 0 HA ILE A 67 65.760 -4.186 -7.365 1.00 1.00 H new ATOM 0 HB ILE A 67 66.814 -5.650 -9.238 1.00 1.00 H new ATOM 0 HG12 ILE A 67 67.116 -6.738 -6.413 1.00 1.00 H new ATOM 0 HG13 ILE A 67 65.535 -6.319 -7.043 1.00 1.00 H new ATOM 0 HG21 ILE A 67 68.965 -6.695 -8.580 1.00 1.00 H new ATOM 0 HG22 ILE A 67 69.155 -4.943 -8.827 1.00 1.00 H new ATOM 0 HG23 ILE A 67 69.066 -5.605 -7.177 1.00 1.00 H new ATOM 0 HD11 ILE A 67 66.040 -8.711 -7.463 1.00 1.00 H new ATOM 0 HD12 ILE A 67 65.901 -7.824 -8.999 1.00 1.00 H new ATOM 0 HD13 ILE A 67 67.506 -8.249 -8.360 1.00 1.00 H new ATOM 995 N CYS A 68 67.114 -3.063 -5.515 1.00 1.00 N ATOM 996 CA CYS A 68 67.931 -2.667 -4.332 1.00 1.00 C ATOM 997 C CYS A 68 68.334 -3.929 -3.562 1.00 1.00 C ATOM 998 O CYS A 68 67.735 -4.973 -3.722 1.00 1.00 O ATOM 999 CB CYS A 68 67.104 -1.747 -3.428 1.00 1.00 C ATOM 1000 SG CYS A 68 67.146 -0.060 -4.082 1.00 1.00 S ATOM 0 H CYS A 68 66.143 -2.750 -5.504 1.00 1.00 H new ATOM 0 HA CYS A 68 68.826 -2.137 -4.657 1.00 1.00 H new ATOM 0 HB2 CYS A 68 66.075 -2.102 -3.374 1.00 1.00 H new ATOM 0 HB3 CYS A 68 67.501 -1.765 -2.413 1.00 1.00 H new ATOM 1005 N PRO A 69 69.348 -3.854 -2.738 1.00 1.00 N ATOM 1006 CA PRO A 69 69.813 -5.031 -1.950 1.00 1.00 C ATOM 1007 C PRO A 69 68.662 -5.711 -1.200 1.00 1.00 C ATOM 1008 O PRO A 69 68.817 -6.782 -0.647 1.00 1.00 O ATOM 1009 CB PRO A 69 70.824 -4.439 -0.962 1.00 1.00 C ATOM 1010 CG PRO A 69 71.313 -3.185 -1.609 1.00 1.00 C ATOM 1011 CD PRO A 69 70.160 -2.657 -2.468 1.00 1.00 C ATOM 0 HA PRO A 69 70.239 -5.804 -2.589 1.00 1.00 H new ATOM 0 HB2 PRO A 69 70.358 -4.230 0.001 1.00 1.00 H new ATOM 0 HB3 PRO A 69 71.644 -5.132 -0.775 1.00 1.00 H new ATOM 0 HG2 PRO A 69 71.605 -2.450 -0.859 1.00 1.00 H new ATOM 0 HG3 PRO A 69 72.193 -3.383 -2.221 1.00 1.00 H new ATOM 0 HD2 PRO A 69 69.586 -1.894 -1.942 1.00 1.00 H new ATOM 0 HD3 PRO A 69 70.523 -2.203 -3.390 1.00 1.00 H new ATOM 1019 N TRP A 70 67.510 -5.095 -1.173 1.00 1.00 N ATOM 1020 CA TRP A 70 66.359 -5.708 -0.454 1.00 1.00 C ATOM 1021 C TRP A 70 65.708 -6.781 -1.332 1.00 1.00 C ATOM 1022 O TRP A 70 64.695 -7.352 -0.979 1.00 1.00 O ATOM 1023 CB TRP A 70 65.338 -4.618 -0.085 1.00 1.00 C ATOM 1024 CG TRP A 70 64.511 -4.273 -1.281 1.00 1.00 C ATOM 1025 CD1 TRP A 70 64.894 -4.444 -2.567 1.00 1.00 C ATOM 1026 CD2 TRP A 70 63.170 -3.701 -1.327 1.00 1.00 C ATOM 1027 NE1 TRP A 70 63.877 -4.016 -3.399 1.00 1.00 N ATOM 1028 CE2 TRP A 70 62.793 -3.549 -2.684 1.00 1.00 C ATOM 1029 CE3 TRP A 70 62.256 -3.305 -0.336 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 61.550 -3.021 -3.041 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 61.007 -2.775 -0.692 1.00 1.00 C ATOM 1032 CH2 TRP A 70 60.654 -2.632 -2.040 1.00 1.00 C ATOM 0 H TRP A 70 67.318 -4.197 -1.617 1.00 1.00 H new ATOM 0 HA TRP A 70 66.714 -6.179 0.463 1.00 1.00 H new ATOM 0 HB2 TRP A 70 64.696 -4.967 0.724 1.00 1.00 H new ATOM 0 HB3 TRP A 70 65.855 -3.730 0.279 1.00 1.00 H new ATOM 0 HD1 TRP A 70 65.841 -4.849 -2.891 1.00 1.00 H new ATOM 0 HE1 TRP A 70 63.922 -4.042 -4.418 1.00 1.00 H new ATOM 0 HE3 TRP A 70 62.517 -3.409 0.707 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 61.283 -2.914 -4.082 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 60.313 -2.475 0.079 1.00 1.00 H new ATOM 0 HH2 TRP A 70 59.691 -2.222 -2.306 1.00 1.00 H new ATOM 1043 N GLU A 71 66.285 -7.063 -2.473 1.00 1.00 N ATOM 1044 CA GLU A 71 65.705 -8.102 -3.372 1.00 1.00 C ATOM 1045 C GLU A 71 66.827 -9.022 -3.864 1.00 1.00 C ATOM 1046 O GLU A 71 66.853 -10.199 -3.564 1.00 1.00 O ATOM 1047 CB GLU A 71 65.030 -7.419 -4.568 1.00 1.00 C ATOM 1048 CG GLU A 71 63.563 -7.141 -4.235 1.00 1.00 C ATOM 1049 CD GLU A 71 62.891 -6.453 -5.425 1.00 1.00 C ATOM 1050 OE1 GLU A 71 63.161 -5.282 -5.637 1.00 1.00 O ATOM 1051 OE2 GLU A 71 62.117 -7.108 -6.103 1.00 1.00 O ATOM 0 H GLU A 71 67.134 -6.617 -2.820 1.00 1.00 H new ATOM 0 HA GLU A 71 64.964 -8.691 -2.831 1.00 1.00 H new ATOM 0 HB2 GLU A 71 65.543 -6.487 -4.805 1.00 1.00 H new ATOM 0 HB3 GLU A 71 65.100 -8.055 -5.451 1.00 1.00 H new ATOM 0 HG2 GLU A 71 63.049 -8.074 -4.003 1.00 1.00 H new ATOM 0 HG3 GLU A 71 63.493 -6.509 -3.349 1.00 1.00 H new ATOM 1058 N ALA A 72 67.757 -8.493 -4.613 1.00 1.00 N ATOM 1059 CA ALA A 72 68.877 -9.338 -5.118 1.00 1.00 C ATOM 1060 C ALA A 72 69.892 -9.570 -3.997 1.00 1.00 C ATOM 1061 O ALA A 72 71.060 -9.265 -4.135 1.00 1.00 O ATOM 1062 CB ALA A 72 69.565 -8.630 -6.285 1.00 1.00 C ATOM 0 H ALA A 72 67.789 -7.514 -4.897 1.00 1.00 H new ATOM 0 HA ALA A 72 68.481 -10.296 -5.454 1.00 1.00 H new ATOM 0 HB1 ALA A 72 70.384 -9.248 -6.654 1.00 1.00 H new ATOM 0 HB2 ALA A 72 68.845 -8.466 -7.086 1.00 1.00 H new ATOM 0 HB3 ALA A 72 69.958 -7.671 -5.948 1.00 1.00 H new ATOM 1068 N CYS A 73 69.462 -10.106 -2.888 1.00 1.00 N ATOM 1069 CA CYS A 73 70.412 -10.352 -1.766 1.00 1.00 C ATOM 1070 C CYS A 73 71.308 -11.544 -2.108 1.00 1.00 C ATOM 1071 O CYS A 73 71.161 -12.620 -1.563 1.00 1.00 O ATOM 1072 CB CYS A 73 69.627 -10.654 -0.488 1.00 1.00 C ATOM 1073 SG CYS A 73 70.773 -10.792 0.906 1.00 1.00 S ATOM 0 H CYS A 73 68.497 -10.384 -2.710 1.00 1.00 H new ATOM 0 HA CYS A 73 71.028 -9.466 -1.612 1.00 1.00 H new ATOM 0 HB2 CYS A 73 68.901 -9.863 -0.299 1.00 1.00 H new ATOM 0 HB3 CYS A 73 69.065 -11.581 -0.604 1.00 1.00 H new ATOM 1078 N ASN A 74 72.236 -11.362 -3.007 1.00 1.00 N ATOM 1079 CA ASN A 74 73.140 -12.486 -3.382 1.00 1.00 C ATOM 1080 C ASN A 74 74.200 -12.672 -2.295 1.00 1.00 C ATOM 1081 O ASN A 74 73.888 -12.906 -1.144 1.00 1.00 O ATOM 1082 CB ASN A 74 73.823 -12.167 -4.714 1.00 1.00 C ATOM 1083 CG ASN A 74 72.784 -12.184 -5.837 1.00 1.00 C ATOM 1084 OD1 ASN A 74 72.083 -11.214 -6.046 1.00 1.00 O ATOM 1085 ND2 ASN A 74 72.655 -13.253 -6.574 1.00 1.00 N ATOM 0 H ASN A 74 72.407 -10.484 -3.498 1.00 1.00 H new ATOM 0 HA ASN A 74 72.559 -13.403 -3.482 1.00 1.00 H new ATOM 0 HB2 ASN A 74 74.304 -11.190 -4.664 1.00 1.00 H new ATOM 0 HB3 ASN A 74 74.606 -12.897 -4.917 1.00 1.00 H new ATOM 0 HD21 ASN A 74 71.966 -13.274 -7.326 1.00 1.00 H new ATOM 0 HD22 ASN A 74 73.244 -14.067 -6.399 1.00 1.00 H new ATOM 1092 N HIS A 75 75.453 -12.571 -2.649 1.00 1.00 N ATOM 1093 CA HIS A 75 76.532 -12.743 -1.635 1.00 1.00 C ATOM 1094 C HIS A 75 76.810 -11.400 -0.955 1.00 1.00 C ATOM 1095 O HIS A 75 76.647 -10.351 -1.545 1.00 1.00 O ATOM 1096 CB HIS A 75 77.805 -13.239 -2.327 1.00 1.00 C ATOM 1097 CG HIS A 75 77.575 -14.623 -2.869 1.00 1.00 C ATOM 1098 ND1 HIS A 75 77.859 -14.959 -4.184 1.00 1.00 N ATOM 1099 CD2 HIS A 75 77.088 -15.768 -2.285 1.00 1.00 C ATOM 1100 CE1 HIS A 75 77.545 -16.256 -4.350 1.00 1.00 C ATOM 1101 NE2 HIS A 75 77.072 -16.795 -3.224 1.00 1.00 N ATOM 0 H HIS A 75 75.776 -12.377 -3.597 1.00 1.00 H new ATOM 0 HA HIS A 75 76.218 -13.471 -0.887 1.00 1.00 H new ATOM 0 HB2 HIS A 75 78.080 -12.561 -3.135 1.00 1.00 H new ATOM 0 HB3 HIS A 75 78.636 -13.247 -1.621 1.00 1.00 H new ATOM 0 HD2 HIS A 75 76.768 -15.857 -1.257 1.00 1.00 H new ATOM 0 HE1 HIS A 75 77.661 -16.795 -5.279 1.00 1.00 H new ATOM 0 HE2 HIS A 75 76.764 -17.757 -3.082 1.00 1.00 H new ATOM 1110 N CYS A 76 77.226 -11.422 0.282 1.00 1.00 N ATOM 1111 CA CYS A 76 77.511 -10.144 0.993 1.00 1.00 C ATOM 1112 C CYS A 76 78.202 -10.441 2.326 1.00 1.00 C ATOM 1113 O CYS A 76 77.853 -9.894 3.353 1.00 1.00 O ATOM 1114 CB CYS A 76 76.197 -9.403 1.253 1.00 1.00 C ATOM 1115 SG CYS A 76 76.553 -7.745 1.886 1.00 1.00 S ATOM 0 H CYS A 76 77.381 -12.268 0.830 1.00 1.00 H new ATOM 0 HA CYS A 76 78.164 -9.525 0.378 1.00 1.00 H new ATOM 0 HB2 CYS A 76 75.617 -9.335 0.333 1.00 1.00 H new ATOM 0 HB3 CYS A 76 75.592 -9.956 1.971 1.00 1.00 H new ATOM 1120 N GLU A 77 79.178 -11.306 2.318 1.00 1.00 N ATOM 1121 CA GLU A 77 79.893 -11.638 3.583 1.00 1.00 C ATOM 1122 C GLU A 77 80.793 -10.462 3.989 1.00 1.00 C ATOM 1123 O GLU A 77 81.042 -9.563 3.211 1.00 1.00 O ATOM 1124 CB GLU A 77 80.740 -12.898 3.367 1.00 1.00 C ATOM 1125 CG GLU A 77 80.877 -13.655 4.689 1.00 1.00 C ATOM 1126 CD GLU A 77 79.540 -14.306 5.047 1.00 1.00 C ATOM 1127 OE1 GLU A 77 79.155 -15.238 4.361 1.00 1.00 O ATOM 1128 OE2 GLU A 77 78.923 -13.860 6.001 1.00 1.00 O ATOM 0 H GLU A 77 79.512 -11.798 1.489 1.00 1.00 H new ATOM 0 HA GLU A 77 79.170 -11.821 4.378 1.00 1.00 H new ATOM 0 HB2 GLU A 77 80.275 -13.537 2.616 1.00 1.00 H new ATOM 0 HB3 GLU A 77 81.725 -12.626 2.988 1.00 1.00 H new ATOM 0 HG2 GLU A 77 81.653 -14.416 4.605 1.00 1.00 H new ATOM 0 HG3 GLU A 77 81.184 -12.972 5.481 1.00 1.00 H new ATOM 1135 N LEU A 78 81.284 -10.464 5.201 1.00 1.00 N ATOM 1136 CA LEU A 78 82.168 -9.349 5.657 1.00 1.00 C ATOM 1137 C LEU A 78 81.472 -8.005 5.398 1.00 1.00 C ATOM 1138 O LEU A 78 80.262 -7.927 5.346 1.00 1.00 O ATOM 1139 CB LEU A 78 83.499 -9.408 4.892 1.00 1.00 C ATOM 1140 CG LEU A 78 84.398 -10.480 5.509 1.00 1.00 C ATOM 1141 CD1 LEU A 78 84.862 -10.024 6.894 1.00 1.00 C ATOM 1142 CD2 LEU A 78 83.614 -11.788 5.641 1.00 1.00 C ATOM 0 H LEU A 78 81.111 -11.190 5.896 1.00 1.00 H new ATOM 0 HA LEU A 78 82.364 -9.449 6.725 1.00 1.00 H new ATOM 0 HB2 LEU A 78 83.316 -9.633 3.841 1.00 1.00 H new ATOM 0 HB3 LEU A 78 83.995 -8.438 4.929 1.00 1.00 H new ATOM 0 HG LEU A 78 85.266 -10.637 4.869 1.00 1.00 H new ATOM 0 HD11 LEU A 78 85.503 -10.789 7.333 1.00 1.00 H new ATOM 0 HD12 LEU A 78 85.420 -9.092 6.802 1.00 1.00 H new ATOM 0 HD13 LEU A 78 83.994 -9.866 7.535 1.00 1.00 H new ATOM 0 HD21 LEU A 78 84.254 -12.553 6.081 1.00 1.00 H new ATOM 0 HD22 LEU A 78 82.746 -11.629 6.281 1.00 1.00 H new ATOM 0 HD23 LEU A 78 83.283 -12.115 4.655 1.00 1.00 H new ATOM 1154 N HIS A 79 82.224 -6.945 5.246 1.00 1.00 N ATOM 1155 CA HIS A 79 81.602 -5.610 4.999 1.00 1.00 C ATOM 1156 C HIS A 79 80.660 -5.267 6.161 1.00 1.00 C ATOM 1157 O HIS A 79 79.791 -4.428 6.045 1.00 1.00 O ATOM 1158 CB HIS A 79 80.841 -5.639 3.656 1.00 1.00 C ATOM 1159 CG HIS A 79 79.360 -5.701 3.911 1.00 1.00 C ATOM 1160 ND1 HIS A 79 78.608 -4.567 4.178 1.00 1.00 N ATOM 1161 CD2 HIS A 79 78.478 -6.754 3.943 1.00 1.00 C ATOM 1162 CE1 HIS A 79 77.333 -4.958 4.358 1.00 1.00 C ATOM 1163 NE2 HIS A 79 77.201 -6.279 4.225 1.00 1.00 N ATOM 0 H HIS A 79 83.243 -6.947 5.282 1.00 1.00 H new ATOM 0 HA HIS A 79 82.372 -4.841 4.940 1.00 1.00 H new ATOM 0 HB2 HIS A 79 81.082 -4.751 3.072 1.00 1.00 H new ATOM 0 HB3 HIS A 79 81.155 -6.502 3.068 1.00 1.00 H new ATOM 0 HD2 HIS A 79 78.736 -7.789 3.775 1.00 1.00 H new ATOM 0 HE1 HIS A 79 76.518 -4.286 4.582 1.00 1.00 H new ATOM 0 HE2 HIS A 79 76.344 -6.826 4.312 1.00 1.00 H new ATOM 1172 N GLU A 80 80.835 -5.909 7.284 1.00 1.00 N ATOM 1173 CA GLU A 80 79.956 -5.626 8.456 1.00 1.00 C ATOM 1174 C GLU A 80 80.017 -4.135 8.808 1.00 1.00 C ATOM 1175 O GLU A 80 79.667 -3.284 8.014 1.00 1.00 O ATOM 1176 CB GLU A 80 80.426 -6.458 9.653 1.00 1.00 C ATOM 1177 CG GLU A 80 80.640 -7.908 9.214 1.00 1.00 C ATOM 1178 CD GLU A 80 81.071 -8.748 10.418 1.00 1.00 C ATOM 1179 OE1 GLU A 80 80.396 -8.683 11.433 1.00 1.00 O ATOM 1180 OE2 GLU A 80 82.068 -9.442 10.306 1.00 1.00 O ATOM 0 H GLU A 80 81.550 -6.619 7.441 1.00 1.00 H new ATOM 0 HA GLU A 80 78.928 -5.889 8.208 1.00 1.00 H new ATOM 0 HB2 GLU A 80 81.353 -6.047 10.053 1.00 1.00 H new ATOM 0 HB3 GLU A 80 79.687 -6.414 10.453 1.00 1.00 H new ATOM 0 HG2 GLU A 80 79.721 -8.309 8.788 1.00 1.00 H new ATOM 0 HG3 GLU A 80 81.400 -7.955 8.434 1.00 1.00 H new ATOM 1187 N LEU A 81 80.448 -3.809 9.998 1.00 1.00 N ATOM 1188 CA LEU A 81 80.520 -2.372 10.399 1.00 1.00 C ATOM 1189 C LEU A 81 81.916 -1.823 10.095 1.00 1.00 C ATOM 1190 O LEU A 81 82.234 -0.696 10.420 1.00 1.00 O ATOM 1191 CB LEU A 81 80.244 -2.245 11.903 1.00 1.00 C ATOM 1192 CG LEU A 81 78.766 -2.523 12.181 1.00 1.00 C ATOM 1193 CD1 LEU A 81 77.906 -1.479 11.465 1.00 1.00 C ATOM 1194 CD2 LEU A 81 78.405 -3.918 11.667 1.00 1.00 C ATOM 0 H LEU A 81 80.753 -4.474 10.709 1.00 1.00 H new ATOM 0 HA LEU A 81 79.775 -1.805 9.840 1.00 1.00 H new ATOM 0 HB2 LEU A 81 80.867 -2.947 12.457 1.00 1.00 H new ATOM 0 HB3 LEU A 81 80.507 -1.245 12.248 1.00 1.00 H new ATOM 0 HG LEU A 81 78.583 -2.471 13.254 1.00 1.00 H new ATOM 0 HD11 LEU A 81 76.853 -1.677 11.663 1.00 1.00 H new ATOM 0 HD12 LEU A 81 78.163 -0.484 11.829 1.00 1.00 H new ATOM 0 HD13 LEU A 81 78.089 -1.531 10.392 1.00 1.00 H new ATOM 0 HD21 LEU A 81 77.352 -4.117 11.865 1.00 1.00 H new ATOM 0 HD22 LEU A 81 78.589 -3.969 10.594 1.00 1.00 H new ATOM 0 HD23 LEU A 81 79.017 -4.663 12.176 1.00 1.00 H new ATOM 1206 N ALA A 82 82.752 -2.610 9.476 1.00 1.00 N ATOM 1207 CA ALA A 82 84.128 -2.134 9.156 1.00 1.00 C ATOM 1208 C ALA A 82 84.064 -1.031 8.098 1.00 1.00 C ATOM 1209 O ALA A 82 84.036 0.142 8.414 1.00 1.00 O ATOM 1210 CB ALA A 82 84.960 -3.302 8.625 1.00 1.00 C ATOM 0 H ALA A 82 82.542 -3.563 9.178 1.00 1.00 H new ATOM 0 HA ALA A 82 84.590 -1.737 10.060 1.00 1.00 H new ATOM 0 HB1 ALA A 82 85.966 -2.955 8.391 1.00 1.00 H new ATOM 0 HB2 ALA A 82 85.013 -4.085 9.382 1.00 1.00 H new ATOM 0 HB3 ALA A 82 84.494 -3.700 7.723 1.00 1.00 H new ATOM 1216 N GLN A 83 84.051 -1.394 6.845 1.00 1.00 N ATOM 1217 CA GLN A 83 84.000 -0.358 5.774 1.00 1.00 C ATOM 1218 C GLN A 83 85.073 0.698 6.057 1.00 1.00 C ATOM 1219 O GLN A 83 84.816 1.720 6.661 1.00 1.00 O ATOM 1220 CB GLN A 83 82.610 0.288 5.754 1.00 1.00 C ATOM 1221 CG GLN A 83 81.564 -0.742 6.185 1.00 1.00 C ATOM 1222 CD GLN A 83 80.167 -0.234 5.823 1.00 1.00 C ATOM 1223 OE1 GLN A 83 79.900 0.949 5.897 1.00 1.00 O ATOM 1224 NE2 GLN A 83 79.258 -1.084 5.430 1.00 1.00 N ATOM 0 H GLN A 83 84.073 -2.359 6.517 1.00 1.00 H new ATOM 0 HA GLN A 83 84.188 -0.813 4.801 1.00 1.00 H new ATOM 0 HB2 GLN A 83 82.587 1.148 6.423 1.00 1.00 H new ATOM 0 HB3 GLN A 83 82.383 0.657 4.754 1.00 1.00 H new ATOM 0 HG2 GLN A 83 81.754 -1.696 5.694 1.00 1.00 H new ATOM 0 HG3 GLN A 83 81.632 -0.917 7.259 1.00 1.00 H new ATOM 1233 N TYR A 84 86.280 0.442 5.636 1.00 1.00 N ATOM 1234 CA TYR A 84 87.392 1.403 5.885 1.00 1.00 C ATOM 1235 C TYR A 84 86.941 2.843 5.616 1.00 1.00 C ATOM 1236 O TYR A 84 87.067 3.346 4.517 1.00 1.00 O ATOM 1237 CB TYR A 84 88.568 1.057 4.968 1.00 1.00 C ATOM 1238 CG TYR A 84 88.699 -0.443 4.861 1.00 1.00 C ATOM 1239 CD1 TYR A 84 88.917 -1.211 6.012 1.00 1.00 C ATOM 1240 CD2 TYR A 84 88.604 -1.067 3.612 1.00 1.00 C ATOM 1241 CE1 TYR A 84 89.039 -2.602 5.913 1.00 1.00 C ATOM 1242 CE2 TYR A 84 88.726 -2.459 3.513 1.00 1.00 C ATOM 1243 CZ TYR A 84 88.943 -3.226 4.663 1.00 1.00 C ATOM 1244 OH TYR A 84 89.063 -4.597 4.566 1.00 1.00 O ATOM 0 H TYR A 84 86.547 -0.400 5.125 1.00 1.00 H new ATOM 0 HA TYR A 84 87.694 1.327 6.930 1.00 1.00 H new ATOM 0 HB2 TYR A 84 88.412 1.490 3.980 1.00 1.00 H new ATOM 0 HB3 TYR A 84 89.489 1.486 5.363 1.00 1.00 H new ATOM 0 HD1 TYR A 84 88.991 -0.730 6.976 1.00 1.00 H new ATOM 0 HD2 TYR A 84 88.437 -0.475 2.724 1.00 1.00 H new ATOM 0 HE1 TYR A 84 89.207 -3.194 6.801 1.00 1.00 H new ATOM 0 HE2 TYR A 84 88.653 -2.940 2.549 1.00 1.00 H new ATOM 0 HH TYR A 84 88.971 -4.868 3.629 1.00 1.00 H new ATOM 1254 N GLY A 85 86.443 3.520 6.619 1.00 1.00 N ATOM 1255 CA GLY A 85 86.017 4.940 6.430 1.00 1.00 C ATOM 1256 C GLY A 85 84.499 5.040 6.254 1.00 1.00 C ATOM 1257 O GLY A 85 83.992 6.044 5.794 1.00 1.00 O ATOM 0 H GLY A 85 86.313 3.151 7.561 1.00 1.00 H new ATOM 0 HA2 GLY A 85 86.327 5.534 7.290 1.00 1.00 H new ATOM 0 HA3 GLY A 85 86.516 5.360 5.557 1.00 1.00 H new ATOM 1261 N ILE A 86 83.760 4.024 6.614 1.00 1.00 N ATOM 1262 CA ILE A 86 82.275 4.103 6.458 1.00 1.00 C ATOM 1263 C ILE A 86 81.602 3.279 7.561 1.00 1.00 C ATOM 1264 O ILE A 86 82.244 2.529 8.269 1.00 1.00 O ATOM 1265 CB ILE A 86 81.854 3.569 5.073 1.00 1.00 C ATOM 1266 CG1 ILE A 86 83.101 3.343 4.215 1.00 1.00 C ATOM 1267 CG2 ILE A 86 80.943 4.589 4.387 1.00 1.00 C ATOM 1268 CD1 ILE A 86 82.690 2.764 2.860 1.00 1.00 C ATOM 0 H ILE A 86 84.114 3.151 7.005 1.00 1.00 H new ATOM 0 HA ILE A 86 81.963 5.144 6.540 1.00 1.00 H new ATOM 0 HB ILE A 86 81.318 2.627 5.194 1.00 1.00 H new ATOM 0 HG12 ILE A 86 83.634 4.283 4.074 1.00 1.00 H new ATOM 0 HG13 ILE A 86 83.785 2.662 4.721 1.00 1.00 H new ATOM 0 HG21 ILE A 86 80.646 4.211 3.409 1.00 1.00 H new ATOM 0 HG22 ILE A 86 80.055 4.753 4.998 1.00 1.00 H new ATOM 0 HG23 ILE A 86 81.478 5.531 4.265 1.00 1.00 H new ATOM 0 HD11 ILE A 86 83.578 2.603 2.249 1.00 1.00 H new ATOM 0 HD12 ILE A 86 82.176 1.815 3.011 1.00 1.00 H new ATOM 0 HD13 ILE A 86 82.023 3.461 2.354 1.00 1.00 H new ATOM 1280 N CYS A 87 80.312 3.418 7.713 1.00 1.00 N ATOM 1281 CA CYS A 87 79.598 2.647 8.770 1.00 1.00 C ATOM 1282 C CYS A 87 79.801 1.149 8.533 1.00 1.00 C ATOM 1283 CB CYS A 87 78.104 2.973 8.719 1.00 1.00 C ATOM 1284 SG CYS A 87 77.196 1.813 9.770 1.00 1.00 S ATOM 0 H CYS A 87 79.723 4.032 7.151 1.00 1.00 H new ATOM 0 HA CYS A 87 79.996 2.918 9.748 1.00 1.00 H new ATOM 0 HB2 CYS A 87 77.933 3.996 9.055 1.00 1.00 H new ATOM 0 HB3 CYS A 87 77.742 2.910 7.693 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 62.076 -0.400 7.558 1.00 1.00 C HETATM 1291 O1G RCY A 110 61.234 -2.008 11.784 1.00 1.00 O HETATM 1292 O1H RCY A 110 60.569 2.317 10.006 1.00 1.00 O HETATM 1293 O1J RCY A 110 64.922 -1.310 7.182 1.00 1.00 O HETATM 1294 C1L RCY A 110 59.430 -0.369 11.996 1.00 1.00 C HETATM 1295 C1M RCY A 110 63.890 -0.490 10.783 1.00 1.00 C HETATM 1296 C1P RCY A 110 60.791 -0.891 11.520 1.00 1.00 C HETATM 1297 C1Q RCY A 110 60.597 1.351 10.768 1.00 1.00 C HETATM 1298 N1R RCY A 110 61.528 0.148 10.676 1.00 1.00 N HETATM 1299 C1S RCY A 110 59.706 1.139 11.978 1.00 1.00 C HETATM 1300 C1U RCY A 110 62.857 0.024 9.929 1.00 1.00 C HETATM 1301 C1V RCY A 110 62.196 -2.314 9.216 1.00 1.00 C HETATM 1302 N1V RCY A 110 64.283 -1.140 8.483 1.00 1.00 N HETATM 1303 C1W RCY A 110 64.956 -1.084 9.853 1.00 1.00 C HETATM 1304 C1X RCY A 110 62.798 -0.978 8.777 1.00 1.00 C HETATM 1305 C1Y RCY A 110 65.350 -2.490 10.315 1.00 1.00 C HETATM 1306 C1Z RCY A 110 66.186 -0.180 9.771 1.00 1.00 C HETATM 0 H1ZB RCY A 110 65.895 0.797 9.385 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 66.619 -0.063 10.765 1.00 1.00 H new HETATM 0 H1YB RCY A 110 65.752 -2.441 11.327 1.00 1.00 H new HETATM 0 H1YA RCY A 110 64.472 -3.136 10.304 1.00 1.00 H new HETATM 0 H1VB RCY A 110 61.147 -2.172 9.476 1.00 1.00 H new HETATM 0 H1VA RCY A 110 62.274 -3.033 8.401 1.00 1.00 H new HETATM 0 H1MA RCY A 110 64.311 0.301 11.404 1.00 1.00 H new HETATM 0 H1LA RCY A 110 58.617 -0.652 11.327 1.00 1.00 H new HETATM 0 H1CB RCY A 110 61.055 -0.134 7.832 1.00 1.00 H new HETATM 0 H1CA RCY A 110 62.602 0.489 7.211 1.00 1.00 H new HETATM 0 H1Z RCY A 110 66.923 -0.628 9.105 1.00 1.00 H new HETATM 0 H1Y RCY A 110 66.107 -2.895 9.643 1.00 1.00 H new HETATM 0 H1V RCY A 110 62.738 -2.689 10.084 1.00 1.00 H new HETATM 0 H1U RCY A 110 63.060 1.034 9.572 1.00 1.00 H new HETATM 0 H1S RCY A 110 60.199 1.463 12.895 1.00 1.00 H new HETATM 0 H1M RCY A 110 63.495 -1.249 11.458 1.00 1.00 H new HETATM 0 H1L RCY A 110 59.167 -0.733 12.989 1.00 1.00 H new HETATM 0 H1C RCY A 110 62.055 -1.143 6.761 1.00 1.00 H new HETATM 1309 C1C RCY A 121 68.425 14.084 7.840 1.00 1.00 C HETATM 1310 O1G RCY A 121 71.636 13.389 9.323 1.00 1.00 O HETATM 1311 O1H RCY A 121 68.867 9.750 10.504 1.00 1.00 O HETATM 1312 O1J RCY A 121 66.836 12.996 5.524 1.00 1.00 O HETATM 1313 C1L RCY A 121 71.416 12.041 11.354 1.00 1.00 C HETATM 1314 C1M RCY A 121 68.808 10.414 7.562 1.00 1.00 C HETATM 1315 C1P RCY A 121 71.061 12.486 9.929 1.00 1.00 C HETATM 1316 C1Q RCY A 121 69.512 10.797 10.543 1.00 1.00 C HETATM 1317 N1R RCY A 121 69.904 11.669 9.357 1.00 1.00 N HETATM 1318 C1S RCY A 121 70.067 11.460 11.791 1.00 1.00 C HETATM 1319 C1U RCY A 121 69.289 11.707 7.956 1.00 1.00 C HETATM 1320 C1V RCY A 121 67.054 12.291 8.993 1.00 1.00 C HETATM 1321 N1V RCY A 121 67.490 12.165 6.530 1.00 1.00 N HETATM 1322 C1W RCY A 121 67.763 10.663 6.467 1.00 1.00 C HETATM 1323 C1X RCY A 121 68.052 12.601 7.876 1.00 1.00 C HETATM 1324 C1Y RCY A 121 66.483 9.873 6.754 1.00 1.00 C HETATM 1325 C1Z RCY A 121 68.314 10.313 5.084 1.00 1.00 C HETATM 0 H1ZB RCY A 121 69.189 10.928 4.875 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 68.597 9.261 5.061 1.00 1.00 H new HETATM 0 H1YB RCY A 121 66.712 8.808 6.787 1.00 1.00 H new HETATM 0 H1YA RCY A 121 66.070 10.185 7.713 1.00 1.00 H new HETATM 0 H1MA RCY A 121 69.622 9.793 7.189 1.00 1.00 H new HETATM 0 H1LA RCY A 121 72.215 11.300 11.373 1.00 1.00 H new HETATM 0 H1CB RCY A 121 68.976 14.343 8.744 1.00 1.00 H new HETATM 0 H1CA RCY A 121 69.047 14.282 6.967 1.00 1.00 H new HETATM 0 H1Z RCY A 121 67.550 10.500 4.330 1.00 1.00 H new HETATM 0 H1Y RCY A 121 65.754 10.063 5.966 1.00 1.00 H new HETATM 0 H1U RCY A 121 70.093 12.076 7.319 1.00 1.00 H new HETATM 0 H1M RCY A 121 68.367 9.888 8.409 1.00 1.00 H new HETATM 0 H1C RCY A 121 67.518 14.686 7.783 1.00 1.00 H new HETATM 1328 C1C RCY A 130 78.414 3.792 -9.355 1.00 1.00 C HETATM 1329 O1G RCY A 130 79.194 4.870 -7.857 1.00 1.00 O HETATM 1330 O1H RCY A 130 77.887 9.066 -9.586 1.00 1.00 O HETATM 1331 O1J RCY A 130 75.810 3.917 -7.847 1.00 1.00 O HETATM 1332 C1L RCY A 130 79.585 7.175 -7.134 1.00 1.00 C HETATM 1333 C1M RCY A 130 76.274 6.539 -10.606 1.00 1.00 C HETATM 1334 C1P RCY A 130 79.051 6.075 -8.060 1.00 1.00 C HETATM 1335 C1Q RCY A 130 78.542 8.157 -9.078 1.00 1.00 C HETATM 1336 N1R RCY A 130 78.320 6.661 -9.267 1.00 1.00 N HETATM 1337 C1S RCY A 130 79.726 8.321 -8.142 1.00 1.00 C HETATM 1338 C1U RCY A 130 77.559 5.942 -10.383 1.00 1.00 C HETATM 1339 C1V RCY A 130 76.745 3.712 -11.262 1.00 1.00 C HETATM 1340 N1V RCY A 130 76.096 4.692 -9.051 1.00 1.00 N HETATM 1341 C1W RCY A 130 75.319 5.888 -9.598 1.00 1.00 C HETATM 1342 C1X RCY A 130 77.236 4.489 -10.039 1.00 1.00 C HETATM 1343 C1Y RCY A 130 74.038 5.420 -10.295 1.00 1.00 C HETATM 1344 C1Z RCY A 130 74.990 6.840 -8.449 1.00 1.00 C HETATM 0 H1ZB RCY A 130 75.908 7.114 -7.929 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 74.516 7.738 -8.845 1.00 1.00 H new HETATM 0 H1YB RCY A 130 73.540 6.275 -10.752 1.00 1.00 H new HETATM 0 H1YA RCY A 130 74.289 4.691 -11.066 1.00 1.00 H new HETATM 0 H1VB RCY A 130 77.555 3.623 -11.986 1.00 1.00 H new HETATM 0 H1VA RCY A 130 76.421 2.717 -10.955 1.00 1.00 H new HETATM 0 H1MA RCY A 130 76.316 7.619 -10.461 1.00 1.00 H new HETATM 0 H1LA RCY A 130 78.893 7.413 -6.326 1.00 1.00 H new HETATM 0 H1CB RCY A 130 79.278 3.802 -10.019 1.00 1.00 H new HETATM 0 H1CA RCY A 130 78.660 4.316 -8.431 1.00 1.00 H new HETATM 0 H1Y RCY A 130 73.373 4.961 -9.564 1.00 1.00 H new HETATM 0 H1V RCY A 130 75.908 4.241 -11.718 1.00 1.00 H new HETATM 0 H1U RCY A 130 78.219 6.012 -11.248 1.00 1.00 H new HETATM 0 H1S RCY A 130 80.670 8.259 -8.683 1.00 1.00 H new HETATM 0 H1M RCY A 130 75.937 6.367 -11.628 1.00 1.00 H new HETATM 0 H1L RCY A 130 80.535 6.907 -6.672 1.00 1.00 H new HETATM 0 H1C RCY A 130 78.144 2.761 -9.127 1.00 1.00 H new HETATM 1347 C1C RCY A 138 79.992 2.111 -1.161 1.00 1.00 C HETATM 1348 O1G RCY A 138 82.671 -1.242 -0.515 1.00 1.00 O HETATM 1349 O1H RCY A 138 83.230 1.571 -4.267 1.00 1.00 O HETATM 1350 O1J RCY A 138 80.591 4.862 -0.092 1.00 1.00 O HETATM 1351 C1L RCY A 138 83.168 -1.672 -2.872 1.00 1.00 C HETATM 1352 C1M RCY A 138 83.630 2.791 -1.180 1.00 1.00 C HETATM 1353 C1P RCY A 138 82.835 -0.803 -1.653 1.00 1.00 C HETATM 1354 C1Q RCY A 138 82.907 0.634 -3.539 1.00 1.00 C HETATM 1355 N1R RCY A 138 82.733 0.675 -2.026 1.00 1.00 N HETATM 1356 C1S RCY A 138 82.605 -0.784 -3.988 1.00 1.00 C HETATM 1357 C1U RCY A 138 82.514 1.890 -1.123 1.00 1.00 C HETATM 1358 C1V RCY A 138 81.379 3.074 -3.052 1.00 1.00 C HETATM 1359 N1V RCY A 138 81.580 4.000 -0.734 1.00 1.00 N HETATM 1360 C1W RCY A 138 83.100 4.157 -0.727 1.00 1.00 C HETATM 1361 C1X RCY A 138 81.326 2.746 -1.558 1.00 1.00 C HETATM 1362 C1Y RCY A 138 83.529 5.253 -1.706 1.00 1.00 C HETATM 1363 C1Z RCY A 138 83.562 4.490 0.691 1.00 1.00 C HETATM 0 H1ZB RCY A 138 83.195 3.730 1.381 1.00 1.00 H new HETATM 0 H1VA RCY A 138 80.581 3.774 -3.299 1.00 1.00 H new HETATM 0 H1MA RCY A 138 84.438 2.452 -0.531 1.00 1.00 H new HETATM 0 H1CA RCY A 138 79.952 1.996 -0.078 1.00 1.00 H new HETATM 0 H1Z RCY A 138 83.170 5.464 0.982 1.00 1.00 H new HETATM 0 H1U RCY A 138 82.359 1.463 -0.132 1.00 1.00 H new HETATM 0 H1M RCY A 138 84.035 2.846 -2.191 1.00 1.00 H new HETATM 0 H1L RCY A 138 82.686 -2.649 -2.833 1.00 1.00 H new HETATM 0 H1C RCY A 138 79.173 2.751 -1.488 1.00 1.00 H new HETATM 1366 C1C RCY A 150 81.802 -1.541 -5.429 1.00 1.00 C HETATM 1367 O1G RCY A 150 81.380 -5.482 -3.830 1.00 1.00 O HETATM 1368 O1H RCY A 150 84.091 -2.362 -1.548 1.00 1.00 O HETATM 1369 O1J RCY A 150 80.040 0.762 -4.617 1.00 1.00 O HETATM 1370 C1L RCY A 150 83.566 -5.643 -2.743 1.00 1.00 C HETATM 1371 C1M RCY A 150 80.852 -1.777 -1.861 1.00 1.00 C HETATM 1372 C1P RCY A 150 82.301 -4.927 -3.234 1.00 1.00 C HETATM 1373 C1Q RCY A 150 83.713 -3.278 -2.275 1.00 1.00 C HETATM 1374 N1R RCY A 150 82.328 -3.439 -2.890 1.00 1.00 N HETATM 1375 C1S RCY A 150 84.546 -4.464 -2.728 1.00 1.00 C HETATM 1376 C1U RCY A 150 81.249 -2.375 -3.103 1.00 1.00 C HETATM 1377 C1V RCY A 150 83.070 -0.645 -3.425 1.00 1.00 C HETATM 1378 N1V RCY A 150 80.619 -0.196 -3.679 1.00 1.00 N HETATM 1379 C1W RCY A 150 80.237 -0.419 -2.217 1.00 1.00 C HETATM 1380 C1X RCY A 150 81.738 -1.194 -3.941 1.00 1.00 C HETATM 1381 C1Y RCY A 150 80.825 0.687 -1.335 1.00 1.00 C HETATM 1382 C1Z RCY A 150 78.713 -0.450 -2.098 1.00 1.00 C HETATM 0 H1ZB RCY A 150 78.310 -1.201 -2.777 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 78.433 -0.699 -1.074 1.00 1.00 H new HETATM 0 H1YB RCY A 150 80.615 0.468 -0.288 1.00 1.00 H new HETATM 0 H1YA RCY A 150 81.903 0.738 -1.486 1.00 1.00 H new HETATM 0 H1MA RCY A 150 80.131 -2.406 -1.339 1.00 1.00 H new HETATM 0 H1LA RCY A 150 83.436 -6.090 -1.758 1.00 1.00 H new HETATM 0 H1CA RCY A 150 80.809 -1.821 -5.780 1.00 1.00 H new HETATM 0 H1Z RCY A 150 78.308 0.528 -2.357 1.00 1.00 H new HETATM 0 H1U RCY A 150 80.439 -2.910 -3.598 1.00 1.00 H new HETATM 0 H1S RCY A 150 84.975 -4.293 -3.715 1.00 1.00 H new HETATM 0 H1M RCY A 150 81.708 -1.655 -1.197 1.00 1.00 H new HETATM 0 H1L RCY A 150 83.882 -6.440 -3.416 1.00 1.00 H new HETATM 1385 C1C RCY A 160 75.128 2.222 -7.135 1.00 1.00 C HETATM 1386 O1G RCY A 160 75.519 4.579 -8.544 1.00 1.00 O HETATM 1387 O1H RCY A 160 73.381 7.095 -5.168 1.00 1.00 O HETATM 1388 O1J RCY A 160 74.386 0.496 -4.781 1.00 1.00 O HETATM 1389 C1L RCY A 160 74.631 6.857 -8.462 1.00 1.00 C HETATM 1390 C1M RCY A 160 73.734 4.253 -4.373 1.00 1.00 C HETATM 1391 C1P RCY A 160 74.930 5.456 -7.914 1.00 1.00 C HETATM 1392 C1Q RCY A 160 73.683 6.606 -6.255 1.00 1.00 C HETATM 1393 N1R RCY A 160 74.407 5.286 -6.489 1.00 1.00 N HETATM 1394 C1S RCY A 160 73.401 7.211 -7.618 1.00 1.00 C HETATM 1395 C1U RCY A 160 74.563 4.101 -5.534 1.00 1.00 C HETATM 1396 C1V RCY A 160 72.712 2.902 -6.777 1.00 1.00 C HETATM 1397 N1V RCY A 160 74.040 1.910 -4.900 1.00 1.00 N HETATM 1398 C1W RCY A 160 73.536 2.844 -3.802 1.00 1.00 C HETATM 1399 C1X RCY A 160 74.101 2.780 -6.147 1.00 1.00 C HETATM 1400 C1Y RCY A 160 72.055 2.582 -3.514 1.00 1.00 C HETATM 1401 C1Z RCY A 160 74.375 2.633 -2.541 1.00 1.00 C HETATM 0 H1ZB RCY A 160 75.430 2.765 -2.780 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 74.081 3.359 -1.783 1.00 1.00 H new HETATM 0 H1YB RCY A 160 71.691 3.311 -2.790 1.00 1.00 H new HETATM 0 H1YA RCY A 160 71.483 2.672 -4.438 1.00 1.00 H new HETATM 0 H1VB RCY A 160 72.759 3.572 -7.635 1.00 1.00 H new HETATM 0 H1VA RCY A 160 72.373 1.919 -7.103 1.00 1.00 H new HETATM 0 H1MA RCY A 160 74.206 4.907 -3.640 1.00 1.00 H new HETATM 0 H1LA RCY A 160 75.457 7.551 -8.307 1.00 1.00 H new HETATM 0 H1CB RCY A 160 75.283 2.938 -7.942 1.00 1.00 H new HETATM 0 H1CA RCY A 160 76.072 2.048 -6.619 1.00 1.00 H new HETATM 0 H1Z RCY A 160 74.213 1.625 -2.160 1.00 1.00 H new HETATM 0 H1Y RCY A 160 71.935 1.577 -3.109 1.00 1.00 H new HETATM 0 H1V RCY A 160 72.013 3.302 -6.042 1.00 1.00 H new HETATM 0 H1U RCY A 160 75.627 4.084 -5.300 1.00 1.00 H new HETATM 0 H1S RCY A 160 72.490 6.800 -8.053 1.00 1.00 H new HETATM 0 H1M RCY A 160 72.777 4.705 -4.634 1.00 1.00 H new HETATM 0 H1C RCY A 160 74.762 1.282 -7.549 1.00 1.00 H new HETATM 1404 C1C RCY A 168 71.631 1.501 -0.783 1.00 1.00 C HETATM 1405 O1G RCY A 168 67.693 2.197 0.501 1.00 1.00 O HETATM 1406 O1H RCY A 168 69.242 -1.269 -2.306 1.00 1.00 O HETATM 1407 O1J RCY A 168 70.657 3.632 1.109 1.00 1.00 O HETATM 1408 C1L RCY A 168 66.978 1.369 -1.688 1.00 1.00 C HETATM 1409 C1M RCY A 168 69.490 0.059 1.868 1.00 1.00 C HETATM 1410 C1P RCY A 168 67.867 1.423 -0.439 1.00 1.00 C HETATM 1411 C1Q RCY A 168 68.807 -0.193 -1.899 1.00 1.00 C HETATM 1412 N1R RCY A 168 68.995 0.395 -0.506 1.00 1.00 N HETATM 1413 C1S RCY A 168 67.980 0.798 -2.697 1.00 1.00 C HETATM 1414 C1U RCY A 168 70.047 0.040 0.546 1.00 1.00 C HETATM 1415 C1V RCY A 168 72.360 0.540 1.447 1.00 1.00 C HETATM 1416 N1V RCY A 168 70.488 2.199 1.334 1.00 1.00 N HETATM 1417 C1W RCY A 168 69.571 1.514 2.345 1.00 1.00 C HETATM 1418 C1X RCY A 168 71.187 1.055 0.612 1.00 1.00 C HETATM 1419 C1Y RCY A 168 70.175 1.587 3.750 1.00 1.00 C HETATM 1420 C1Z RCY A 168 68.199 2.187 2.312 1.00 1.00 C HETATM 0 H1ZB RCY A 168 67.814 2.178 1.292 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 67.513 1.647 2.964 1.00 1.00 H new HETATM 0 H1YB RCY A 168 69.552 1.022 4.444 1.00 1.00 H new HETATM 0 H1YA RCY A 168 71.179 1.163 3.737 1.00 1.00 H new HETATM 0 H1VB RCY A 168 72.817 -0.313 0.946 1.00 1.00 H new HETATM 0 H1VA RCY A 168 73.100 1.332 1.562 1.00 1.00 H new HETATM 0 H1MA RCY A 168 68.458 -0.291 1.861 1.00 1.00 H new HETATM 0 H1LA RCY A 168 66.108 0.726 -1.554 1.00 1.00 H new HETATM 0 H1CB RCY A 168 71.976 0.636 -1.349 1.00 1.00 H new HETATM 0 H1CA RCY A 168 70.791 1.963 -1.302 1.00 1.00 H new HETATM 0 H1Z RCY A 168 68.291 3.217 2.656 1.00 1.00 H new HETATM 0 H1Y RCY A 168 70.224 2.627 4.071 1.00 1.00 H new HETATM 0 H1V RCY A 168 72.001 0.234 2.429 1.00 1.00 H new HETATM 0 H1U RCY A 168 70.404 -0.945 0.246 1.00 1.00 H new HETATM 0 H1S RCY A 168 68.605 1.583 -3.123 1.00 1.00 H new HETATM 0 H1M RCY A 168 70.046 -0.601 2.534 1.00 1.00 H new HETATM 0 H1L RCY A 168 66.606 2.352 -1.979 1.00 1.00 H new HETATM 0 H1C RCY A 168 72.443 2.223 -0.693 1.00 1.00 H new HETATM 1423 C1C RCY A 173 75.654 -7.258 2.332 1.00 1.00 C HETATM 1424 O1G RCY A 173 72.767 -6.709 -1.494 1.00 1.00 O HETATM 1425 O1H RCY A 173 71.958 -8.704 2.709 1.00 1.00 O HETATM 1426 O1J RCY A 173 75.895 -4.799 4.054 1.00 1.00 O HETATM 1427 C1L RCY A 173 71.576 -8.732 -0.801 1.00 1.00 C HETATM 1428 C1M RCY A 173 72.618 -5.157 2.094 1.00 1.00 C HETATM 1429 C1P RCY A 173 72.423 -7.470 -0.591 1.00 1.00 C HETATM 1430 C1Q RCY A 173 72.218 -8.537 1.519 1.00 1.00 C HETATM 1431 N1R RCY A 173 72.787 -7.276 0.880 1.00 1.00 N HETATM 1432 C1S RCY A 173 72.028 -9.556 0.409 1.00 1.00 C HETATM 1433 C1U RCY A 173 73.532 -6.120 1.551 1.00 1.00 C HETATM 1434 C1V RCY A 173 73.539 -7.429 3.718 1.00 1.00 C HETATM 1435 N1V RCY A 173 74.663 -5.215 3.389 1.00 1.00 N HETATM 1436 C1W RCY A 173 73.394 -4.392 3.174 1.00 1.00 C HETATM 1437 C1X RCY A 173 74.358 -6.566 2.756 1.00 1.00 C HETATM 1438 C1Y RCY A 173 72.581 -4.314 4.469 1.00 1.00 C HETATM 1439 C1Z RCY A 173 73.780 -2.993 2.695 1.00 1.00 C HETATM 0 H1YA RCY A 173 72.374 -5.321 4.830 1.00 1.00 H new HETATM 0 H1VA RCY A 173 74.126 -7.632 4.614 1.00 1.00 H new HETATM 0 H1MA RCY A 173 72.260 -4.480 1.319 1.00 1.00 H new HETATM 0 H1LA RCY A 173 70.506 -8.524 -0.788 1.00 1.00 H new HETATM 0 H1Y RCY A 173 73.148 -3.768 5.222 1.00 1.00 H new HETATM 0 H1U RCY A 173 74.164 -5.713 0.762 1.00 1.00 H new HETATM 0 H1S RCY A 173 72.954 -10.091 0.200 1.00 1.00 H new HETATM 0 H1M RCY A 173 71.742 -5.648 2.518 1.00 1.00 H new HETATM 0 H1L RCY A 173 71.793 -9.227 -1.748 1.00 1.00 H new HETATM 0 H1C RCY A 173 76.212 -7.560 3.218 1.00 1.00 H new HETATM 1442 C1C RCY A 176 74.789 -2.374 2.688 1.00 1.00 C HETATM 1443 O1G RCY A 176 71.694 -6.906 3.332 1.00 1.00 O HETATM 1444 O1H RCY A 176 75.881 -4.885 2.500 1.00 1.00 O HETATM 1445 O1J RCY A 176 73.105 -0.404 4.222 1.00 1.00 O HETATM 1446 C1L RCY A 176 73.901 -7.797 2.761 1.00 1.00 C HETATM 1447 C1M RCY A 176 71.841 -4.024 4.198 1.00 1.00 C HETATM 1448 C1P RCY A 176 72.871 -6.695 3.041 1.00 1.00 C HETATM 1449 C1Q RCY A 176 74.899 -5.622 2.435 1.00 1.00 C HETATM 1450 N1R RCY A 176 73.488 -5.303 2.914 1.00 1.00 N HETATM 1451 C1S RCY A 176 74.870 -7.026 1.859 1.00 1.00 C HETATM 1452 C1U RCY A 176 72.861 -3.936 3.192 1.00 1.00 C HETATM 1453 C1V RCY A 176 74.639 -3.518 4.946 1.00 1.00 C HETATM 1454 N1V RCY A 176 72.905 -1.850 4.253 1.00 1.00 N HETATM 1455 C1W RCY A 176 71.691 -2.613 4.780 1.00 1.00 C HETATM 1456 C1X RCY A 176 73.859 -2.932 3.767 1.00 1.00 C HETATM 1457 C1Y RCY A 176 71.711 -2.658 6.311 1.00 1.00 C HETATM 1458 C1Z RCY A 176 70.417 -1.936 4.277 1.00 1.00 C HETATM 0 H1ZB RCY A 176 70.450 -1.860 3.190 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 69.550 -2.526 4.573 1.00 1.00 H new HETATM 0 H1YB RCY A 176 70.888 -3.277 6.668 1.00 1.00 H new HETATM 0 H1YA RCY A 176 72.656 -3.081 6.650 1.00 1.00 H new HETATM 0 H1VB RCY A 176 75.277 -4.328 4.593 1.00 1.00 H new HETATM 0 H1VA RCY A 176 75.256 -2.740 5.397 1.00 1.00 H new HETATM 0 H1MA RCY A 176 70.901 -4.370 3.769 1.00 1.00 H new HETATM 0 H1Z RCY A 176 70.341 -0.938 4.708 1.00 1.00 H new HETATM 0 H1Y RCY A 176 71.603 -1.648 6.706 1.00 1.00 H new HETATM 0 H1V RCY A 176 73.941 -3.903 5.689 1.00 1.00 H new HETATM 0 H1M RCY A 176 72.120 -4.737 4.974 1.00 1.00 H new HETATM 0 H1L RCY A 176 73.463 -8.661 2.261 1.00 1.00 H new HETATM 0 H1C RCY A 176 75.483 -1.664 3.138 1.00 1.00 H new HETATM 1461 C1C RCY A 187 78.460 1.395 4.235 1.00 1.00 C HETATM 1462 O1G RCY A 187 75.397 -1.092 5.933 1.00 1.00 O HETATM 1463 O1H RCY A 187 79.209 1.094 7.662 1.00 1.00 O HETATM 1464 O1J RCY A 187 81.038 1.698 5.763 1.00 1.00 O HETATM 1465 C1L RCY A 187 75.754 0.388 7.848 1.00 1.00 C HETATM 1466 C1M RCY A 187 79.520 -1.824 5.721 1.00 1.00 C HETATM 1467 C1P RCY A 187 76.174 -0.439 6.627 1.00 1.00 C HETATM 1468 C1Q RCY A 187 78.151 0.473 7.571 1.00 1.00 C HETATM 1469 N1R RCY A 187 77.679 -0.349 6.378 1.00 1.00 N HETATM 1470 C1S RCY A 187 77.070 0.385 8.633 1.00 1.00 C HETATM 1471 C1U RCY A 187 78.508 -0.932 5.232 1.00 1.00 C HETATM 1472 C1V RCY A 187 79.875 -0.416 3.164 1.00 1.00 C HETATM 1473 N1V RCY A 187 80.409 0.414 5.465 1.00 1.00 N HETATM 1474 C1W RCY A 187 80.724 -0.946 6.085 1.00 1.00 C HETATM 1475 C1X RCY A 187 79.294 0.133 4.468 1.00 1.00 C HETATM 1476 C1Y RCY A 187 82.011 -1.522 5.486 1.00 1.00 C HETATM 1477 C1Z RCY A 187 80.859 -0.787 7.599 1.00 1.00 C HETATM 0 H1ZB RCY A 187 79.958 -0.321 7.998 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 80.994 -1.767 8.057 1.00 1.00 H new HETATM 0 H1YB RCY A 187 82.176 -2.527 5.876 1.00 1.00 H new HETATM 0 H1YA RCY A 187 81.920 -1.564 4.401 1.00 1.00 H new HETATM 0 H1VB RCY A 187 79.063 -0.665 2.480 1.00 1.00 H new HETATM 0 H1VA RCY A 187 80.517 0.337 2.706 1.00 1.00 H new HETATM 0 H1MA RCY A 187 79.164 -2.377 6.590 1.00 1.00 H new HETATM 0 H1LA RCY A 187 75.431 1.394 7.580 1.00 1.00 H new HETATM 0 H1CB RCY A 187 77.572 1.143 3.655 1.00 1.00 H new HETATM 0 H1CA RCY A 187 78.159 1.814 5.195 1.00 1.00 H new HETATM 0 H1V RCY A 187 80.460 -1.311 3.375 1.00 1.00 H new HETATM 0 H1U RCY A 187 77.775 -1.426 4.594 1.00 1.00 H new HETATM 0 H1S RCY A 187 77.173 -0.521 9.230 1.00 1.00 H new HETATM 0 H1M RCY A 187 79.790 -2.560 4.963 1.00 1.00 H new HETATM 0 H1L RCY A 187 74.936 -0.072 8.403 1.00 1.00 H new HETATM 0 H1C RCY A 187 79.054 2.128 3.689 1.00 1.00 H new